A0A5K4F5C0_SCHMA Loading...

Pre-mRNA-processing-splicing factor 8

Plays a role in pre-mRNA splicing as core component of precatalytic, catalytic and postcatalytic spliceosomal complexes, both of the predominant U2-type spliceosome and the minor U12-type spliceosome. Functions as a scaffold that mediates the ordered assembly of spliceosomal proteins and snRNAs. Required for the assembly of the U4/U6-U5 tri-snRNP complex, a building block of the spliceosome. Functions as a scaffold that positions spliceosomal U2, U5 and U6 snRNAs at splice sites on pre-mRNA substrates, so that splicing can occur. Interacts with both the 5' and the 3' splice site.

AlphaFold DB , UniProt , Accession A0A5K4F5C0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,306 aa.

>A0A5K4F5C0_SCHMA|A0A5K4F5C0
MLPSAKAREWQQLQSKKFSEKRKFGFVETQKDEMPPEHVRKIIRDHGDMTNRKFRHDKRVYLGALKYMPHAVLKLLENMPMPWEQIRDVKVLYHITGAITFVNEIPWVVEPVYAAQWGSMWIMMRREKRDRRHFKRMRFPPFDDEEPPLDYADNILDVEPLEPIQLELDPEEDATIIEWFYERNPLVESKYVNGVTYRRWNLPLNIMSNLYRLANSLLTDLVDDNYFYLFDLKSFFTAKALNVALPGGPKFEPLVKDKTLEDEDWNEFNDINKIIIRQPIRTEYRIAFPYLYNSYPFQVHLSWYHTPNVLFIKTEDPDLPAFYFDPLINPISQRQGVKAPELQPDVDETYELPEGLQPFLAETPLYSDNTANGIALLWAPRPFCLRSGSTRRAIDIPLVKAWYREHCPSGMPVKVRVSYQKLLKYFVLNALHHRRPKPQKKRYLFRSFKATKFFQITSLDWVEVGLQVCRQGYNMLNLLIHRKNLNYLHLDYNFNLKPVKTLTTKERKKSRFGNAFHLCREILRLTKLIVDSHVQYRLGNVDAFQLADGLQYIFSHVGQLTGMYRYKYKLMRQIRMCKDLKHVIYYRFNTGPVGKGPGVGFWAPGWRVWLFFMRGITPLLERWLGNLLSRQFEGRHSKGVAKTVTKQRVESHYDLELRAAVMHDILDMMPEGIKQNKARTILQHLGEAWRCWKANIPWKVPNMPIPIENMILRYVKAKADWWTNTAHYNRERIRRGATVDKTVCKKNLGRLTRLYLKAEQERQHNYLKDGPYVTAEEAVAIYTTTVHWLESRRFSPIPFPPLSYKHDTKLLILALERLRESYSVKNRLNQSQREELGLIEQAYDNPHEALSRIKRHLLTQRAFKEVGIEFMDLYSHLVPVYDVEPLEKITDAYLDQYLWYEADKRRLFPPWIKPADLEPPPLLVYKWCQGINNLKDVWETGEGECNVLLETKFEKVYEKIDLTLLNRLLRLIVDHNIADYMTAKNNVVINYKDMNHTNSYGIIRGLQFSSFITQYYGLVLDLLVLGLERAAEMCGPPQMPNDFLQFQDTATEISHPIRLYCRYVDRFWMFFRFSAEDARDLIQRYLTEHPDPNNENIVGYNNKKCWPRDSRMRLMKHDVNLGRAVFWDIKNRLPRSVTTIDWDSSFVSVYSKDNPNLLFAMCGFECRILPSCRSPGQAADANLPSGVWHLQNEVTKERTAQCFLRVDDESMQRFHNRVRQILMASGSTTFTKIVNKWNTALIGLMTYYREAAVSTVALLDLLVKCENKIQTRIKIGLNSKMPARFPPVVFYTPKELGGLGMLSMGHVLIPQSDLRWSKQTDVGITHFRSGMSHDEDQVIPNLFSYILSWETEFRDSQSVWAEYALKRQEANAQNRRLTLEDLEDSWDRGIPRINTLFQKDRHTLAYDKGWRVRTEFKQYQVLKQNPFWWTHQRHDGKLWNLNNYRTDMIQALGGVEGILEHTLFKGTYFPTWEGLFWEKASGFEESMKYKKLTNAQRSGLNQIPNRRFTLWWSPTINRANVYVGFQVQLDLTGIFMHGKIPTLKISLIQIFRAHLWQKIHESVVMDICQVFDQELDALEIETVQKETIHPRKSYKMNSSCADILLFASYKWPVSRPSLLADSKDLMDGTTTQKFWIDIQLRWGDYDSHDIERYARAKFLDYTTDNMSIYPSPTGVMIAIDLAYNLHSAYGNWFPGCKPLIQQAMVKIMKANPALYVLRERIRKALQLYSSEPTEPYLSSQNYNELFSNQIIWFVDDTNVYRVTIHKTFEGNLTTKPINGAIFIFNPRTGQLFLKIIHTSVWAGQKRLGQLAKWKTAEEVAALIRSLPVEEQPKQIIVTRKGMLDPLEVHLLDFPNIVIKGSELQLPFQACLKVEKFGDLILKASEPQMVLFNLYDDWLKSISSYTAFSRLILILRALHVNNDKAKIVLKPDKTTITEPHHIWPSLSSDDWIKVEYQLKDLILADYGKKNNVNVASLTQSEIRDIILGMEISAPSQQRQQIADIEKQAKEQSQLTATTTRTVNKHGDEIISTTTSNYETLHFSSKTEWRVRAISATNLYLRTNNIYVSSDDIKENGYTYILPKNILKKFITISDLRTQIAGYLYGISPADNSQIKEIRCIVMPPQWGTHQTVHLPNGLPQDEYLKEMEPLGWIHTQPNELPQLSPQDITTHAKIFSDQDGEKTIVITCSFTPGSVSLCAHKLTPGGYEWGRQNTDKGINPKGYMPSHYERVQMLLSDRFLGFFMVPPQTSWNYNFMGVRHDPNMKYELQPLKPKKFYHRIHRPSHFLNFTSIEENELTLTDRDNPLA
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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
1M45.2Very low72.5Confident235 Ų235136.5 Ų136.5100%1.15869%0.694SS**  0-1.90-73.7-162.7-169.300115.9P3M1-P3 VanDerWaalsContact C-CD 3.42Å
2L57.3Low73.6Confident160 Ų160134.5 Ų134.584%0.83868%0.68SS**  trans-81.4-12.7171-82.3143.9000119.2
3P60.3Low74.7Confident100 Ų100131.6 Ų131.665%0.64967%0.667SS**Hα-helixtrans-72-33.9-171.9-21.632.4000117.3M1 A7M1-P3 VanDerWaalsContact C-CD 3.42Å; P3-A7 PolarHBondContact O-N 3.45Å
4S66.5Low75.6Confident94 Ų94126.4 Ų126.466%0.65764%0.639SS**Hα-helixtrans-77.3-35.8-17071.40000114A7 R8S4-A7 PolarHBondContact O-N 3.29Å; S4-R8 PolarHBondContact O-N 2.98Å
5A73.5Confident76.2Confident63 Ų63122.9 Ų122.952%0.52163%0.631SS.*Hα-helixtrans-64.3-42.4176.400000111.4A7 R8 E9A5-A7 VanDerWaalsContact C-N 3.32Å; A5-A7 PolarHBondContact O-N 2.87Å; A5-R8 PolarHBondContact O-N 2.97Å; A5-E9 PolarHBondContact O-N 3.39Å
6K78.3Confident76.8Confident164 Ų164124.2 Ų124.271%0.71363%0.63SS**Hα-helixtrans-63.3-36.6176-160174.3-175.9176.60112W10K6-W10 VanDerWaalsContact O-CB 3.23Å; K6-W10 WeakPolarHBondContact O-CB 3.47Å; K6-W10 PolarHBondContact O-N 2.89Å
7A80.3Confident77.1Confident57 Ų57124.4 Ų124.447%0.47163%0.626SS.*Hα-helixtrans-68.2-40174.200000112.7P3 S4 A5 W10 Q11P3-A7 PolarHBondContact O-N 3.45Å; S4-A7 PolarHBondContact O-N 3.29Å; A5-A7 VanDerWaalsContact C-N 3.32Å; A5-A7 PolarHBondContact O-N 2.87Å; A7-W10 PolarHBondContact O-N 3.46Å; A7-Q11 WeakPolarHBondContact O-CB 3.39Å; A7-Q11 PolarHBondContact O-N 2.95Å
8R81.5Confident77.5Confident183 Ų183124.9 Ų124.969%0.69162%0.624SS**Hα-helixtrans-70.2-40.8178.4-162.6-177.3-97.3177.3-6.8112S4 A5 Q11 Q12S4-R8 PolarHBondContact O-N 2.98Å; A5-R8 PolarHBondContact O-N 2.97Å; R8-Q11 PolarHBondContact O-N 2.86Å; R8-Q12 WeakPolarHBondContact O-CG 3.22Å; R8-Q12 PolarHBondContact O-N 3.06Å
9E84Confident77.9Confident144 Ų144120.3 Ų120.367%0.67361%0.605SS**Hα-helixtrans-63.1-42.3170.3-79.1-170157.300111.6A5 Q11 Q12 L13A5-E9 PolarHBondContact O-N 3.39Å; E9-Q11 PolarHBondContact O-N 3.09Å; E9-Q12 PolarHBondContact O-N 3.23Å; E9-L13 WeakPolarHBondContact O-CB 3.41Å; E9-L13 PolarHBondContact O-N 2.97Å
10W84.4Confident78.1Confident161 Ų161121.4 Ų121.461%0.6161%0.607SS**Hα-helixtrans-61.3-43.7174.7-175.5-106.5000111.7K6 A7 L13 Q14K6-W10 VanDerWaalsContact O-CB 3.23Å; K6-W10 WeakPolarHBondContact O-CB 3.47Å; K6-W10 PolarHBondContact O-N 2.89Å; A7-W10 PolarHBondContact O-N 3.46Å; W10-L13 HydrophobicContact CE3-CD2 4.36Å; W10-L13 HydrophobicContact CZ3-CD2 4.45Å; W10-L13 PolarHBondContact O-N 3.28Å; W10-Q14 HydrophobicContact CD2-CG 3.98Å; W10-Q14 HydrophobicContact CG-CG 4.16Å; W10-Q14 VanDerWaalsContact CH2-NE2 3.3Å; W10-Q14 HydrophobicContact CZ2-CG 4.17Å; W10-Q14 VanDerWaalsContact O-CB 3.22Å; W10-Q14 WeakPolarHBondContact O-CB 3.28Å; W10-Q14 WeakPolarHBondContact O-CG 3.39Å; W10-Q14 PolarHBondContact O-N 3.23Å
11Q86.2Confident78.2Confident141 Ų141123.4 Ų123.466%0.65961%0.612SS**Hα-helixtrans-66.5-38.8178.5-162.6175.79.600112.3A7 R8 E9 S15A7-Q11 WeakPolarHBondContact O-CB 3.39Å; A7-Q11 PolarHBondContact O-N 2.95Å; R8-Q11 PolarHBondContact O-N 2.86Å; E9-Q11 PolarHBondContact O-N 3.09Å; Q11-S15 VanDerWaalsContact O-CB 3.27Å; Q11-S15 WeakPolarHBondContact O-CB 3.35Å; Q11-S15 PolarHBondContact O-N 2.93Å; Q11-S15 PolarHBondContact O-OG 2.93Å
12Q86.2Confident79.7Confident112 Ų112121 Ų12152%0.52359%0.59SS.*Hα-helixtrans-69.4-39.4173.2-74.9-1734.600112.7R8 E9 S15 K16R8-Q12 WeakPolarHBondContact O-CG 3.22Å; R8-Q12 PolarHBondContact O-N 3.06Å; E9-Q12 PolarHBondContact O-N 3.23Å; Q12-S15 PolarHBondContact O-OG 2.74Å; Q12-K16 WeakPolarHBondContact O-CB 3.23Å; Q12-K16 WeakPolarHBondContact O-CG 3.1Å; Q12-K16 PolarHBondContact O-N 3.31Å
13L87.4Confident80.9Confident97 Ų97118.5 Ų118.551%0.50857%0.573SS.*Hα-helixtrans-64.8-46.4176.2-170.479.3000109.9E9 W10 K17E9-L13 WeakPolarHBondContact O-CB 3.41Å; E9-L13 PolarHBondContact O-N 2.97Å; W10-L13 HydrophobicContact CE3-CD2 4.36Å; W10-L13 HydrophobicContact CZ3-CD2 4.45Å; W10-L13 PolarHBondContact O-N 3.28Å; L13-K17 WeakPolarHBondContact O-CA 3.42Å; L13-K17 WeakPolarHBondContact O-CB 3.31Å; L13-K17 PolarHBondContact O-N 3.19Å
14Q87.7Confident81.9Confident58 Ų58124.3 Ų124.327%0.27159%0.588SS.*Hα-helixtrans-65.4-44.2177.7-69.4-72.3-35.200111.3W10 K16 K17 F18W10-Q14 HydrophobicContact CD2-CG 3.98Å; W10-Q14 HydrophobicContact CG-CG 4.16Å; W10-Q14 VanDerWaalsContact CH2-NE2 3.3Å; W10-Q14 HydrophobicContact CZ2-CG 4.17Å; W10-Q14 VanDerWaalsContact O-CB 3.22Å; W10-Q14 WeakPolarHBondContact O-CB 3.28Å; W10-Q14 WeakPolarHBondContact O-CG 3.39Å; W10-Q14 PolarHBondContact O-N 3.23Å; Q14-K16 PolarHBondContact O-N 3.02Å; Q14-K17 PolarHBondContact O-N 3.42Å; Q14-F18 HydrophobicContact CB-CD2 4.41Å; Q14-F18 WeakPolarHBondContact O-CA 3.2Å; Q14-F18 VanDerWaalsContact O-CB 3.31Å; Q14-F18 WeakPolarHBondContact O-CB 3.49Å; Q14-F18 WeakPolarHBondContact O-CD2 3.49Å; Q14-F18 PolarHBondContact O-N 3.31Å
15S85.1Confident82.5Confident74 Ų74123 Ų12352%0.51759%0.589SS.*Hα-helixtrans-66-38.2179.175.80000112.9Q11 Q12 S19Q11-S15 VanDerWaalsContact O-CB 3.27Å; Q11-S15 WeakPolarHBondContact O-CB 3.35Å; Q11-S15 PolarHBondContact O-N 2.93Å; Q11-S15 PolarHBondContact O-OG 2.93Å; Q12-S15 PolarHBondContact O-OG 2.74Å; S15-S19 WeakPolarHBondContact O-CA 3.29Å; S15-S19 VanDerWaalsContact O-CB 3.29Å; S15-S19 WeakPolarHBondContact O-CB 3.27Å; S15-S19 PolarHBondContact O-N 2.85Å
16K85.8Confident82.9Confident144 Ų144124.9 Ų124.963%0.62659%0.586SS**Hα-helixtrans-74.5-43.5174.8-74.4-178.9178.9174.10112.1Q12 Q14 S19 R22Q12-K16 WeakPolarHBondContact O-CB 3.23Å; Q12-K16 WeakPolarHBondContact O-CG 3.1Å; Q12-K16 PolarHBondContact O-N 3.31Å; Q14-K16 PolarHBondContact O-N 3.02Å; K16-S19 PolarHBondContact O-OG 2.96Å; K16-R22 WeakPolarHBondContact O-CD 3.47Å
17K82Confident82.7Confident128 Ų128123 Ų12356%0.55759%0.588SS**Hα-helixtrans-68.9-39.7-177.5-171.1175.6-178.3-1790111.7L13 Q14L13-K17 WeakPolarHBondContact O-CA 3.42Å; L13-K17 WeakPolarHBondContact O-CB 3.31Å; L13-K17 PolarHBondContact O-N 3.19Å; Q14-K17 PolarHBondContact O-N 3.42Å
18F83.9Confident82.2Confident134 Ų134128.3 Ų128.359%0.58860%0.603SS**THydrogen-bonded Turntrans-104.321179.5-60-82.6000113Q14Q14-F18 HydrophobicContact CB-CD2 4.41Å; Q14-F18 WeakPolarHBondContact O-CA 3.2Å; Q14-F18 VanDerWaalsContact O-CB 3.31Å; Q14-F18 WeakPolarHBondContact O-CB 3.49Å; Q14-F18 WeakPolarHBondContact O-CD2 3.49Å; Q14-F18 PolarHBondContact O-N 3.31Å
19S84.8Confident81.8Confident37 Ų37125.8 Ų125.826%0.25961%0.608SS.*  trans-58.8146.6171.177.40000110.6S15 K16 K21 R22S15-S19 WeakPolarHBondContact O-CA 3.29Å; S15-S19 VanDerWaalsContact O-CB 3.29Å; S15-S19 WeakPolarHBondContact O-CB 3.27Å; S15-S19 PolarHBondContact O-N 2.85Å; K16-S19 PolarHBondContact O-OG 2.96Å; S19-K21 PolarHBondContact O-N 3.01Å; S19-R22 PolarHBondContact O-N 3.42Å
20E81Confident81.5Confident141 Ų141126.2 Ų126.266%0.65961%0.61SS**G310 helixtrans-57.4-20.7177.6-75.8-146.3122.700114.1R22 K23 F26E20-R22 VanDerWaalsContact C-N 3.28Å; E20-R22 PolarHBondContact O-N 3.33Å; E20-K23 WeakPolarHBondContact O-CD 3.24Å; E20-K23 WeakPolarHBondContact O-CE 3.39Å; E20-K23 WeakPolarHBondContact O-CG 3.29Å; E20-K23 IonicContact OE1-NZ 2.64Å; E20-K23 PolarHBondContact OE1-NZ 3.37Å; E20-K23 IonicContact OE2-NZ 2.94Å; E20-F26 WeakPolarHBondContact O-CD2 3.38Å
21K80.3Confident81.4Confident164 Ų164121.3 Ų121.371%0.71359%0.593SS**G310 helixtrans-78.8-11.2177.6-51.5-175.8-174.7-176.40112.8S19 F26S19-K21 PolarHBondContact O-N 3.01Å; K21-F26 WeakPolarHBondContact O-CD1 3.24Å
22R77.8Confident81.1Confident184 Ų184120.9 Ų120.969%0.69460%0.595SS**G310 helixtrans-113.211.6-177.4-67.1-163.6-178-155-1.5114.7K16 S19 E20K16-R22 WeakPolarHBondContact O-CD 3.47Å; S19-R22 PolarHBondContact O-N 3.42Å; E20-R22 VanDerWaalsContact C-N 3.28Å; E20-R22 PolarHBondContact O-N 3.33Å
23K82.6Confident81Confident108 Ų108120 Ų12047%0.4759%0.591SS.*SBendtrans-62.7142.7170.97.5-176178-171.40109.7E20 G25 F26E20-K23 WeakPolarHBondContact O-CD 3.24Å; E20-K23 WeakPolarHBondContact O-CE 3.39Å; E20-K23 WeakPolarHBondContact O-CG 3.29Å; E20-K23 IonicContact OE1-NZ 2.64Å; E20-K23 PolarHBondContact OE1-NZ 3.37Å; E20-K23 IonicContact OE2-NZ 2.94Å; K23-G25 PolarHBondContact O-N 3.46Å; K23-F26 VanDerWaalsContact O-CB 3.29Å; K23-F26 WeakPolarHBondContact O-CB 3.37Å; K23-F26 PolarHBondContact O-N 3.38Å
24F80.8Confident81.2Confident222 Ų222118.3 Ų118.397%0.97458%0.582SS**THydrogen-bonded Turntrans-54-31.9-176.6-177.7-101.9000113.6
25G79.9Confident81.4Confident66 Ų66119.1 Ų119.168%0.6859%0.592SS**THydrogen-bonded Turntrans-9314.6177.100000115.6K23 V27K23-G25 PolarHBondContact O-N 3.46Å; G25-V27 PolarHBondContact O-N 2.93Å
26F80.2Confident81.8Confident103 Ų103117.3 Ų117.345%0.45258%0.579SS.*PPolyproline II helixtrans-70.3121.7179-171.1-96.9000110.4E20 K21 K23E20-F26 WeakPolarHBondContact O-CD2 3.38Å; K21-F26 WeakPolarHBondContact O-CD1 3.24Å; K23-F26 VanDerWaalsContact O-CB 3.29Å; K23-F26 WeakPolarHBondContact O-CB 3.37Å; K23-F26 PolarHBondContact O-N 3.38Å
27V75Confident82Confident125 Ų125115.6 Ų115.676%0.75857%0.573SS**PPolyproline II helixtrans-99.7126.6174.4-176.40000107.3G25G25-V27 PolarHBondContact O-N 2.93Å
28E70.9Confident82.6Confident169 Ų169112.7 Ų112.779%0.7956%0.561SS**PPolyproline II helixtrans-55154.4174.2-74.4-177.3165.700111.7
29T72.1Confident83Confident130 Ų130106.3 Ų106.380%0.79853%0.533SS*.PPolyproline II helixtrans-53.1140.6-179.3380000111.8
30Q77.3Confident83.3Confident153 Ų153106.6 Ų106.672%0.71553%0.528SS*.PPolyproline II helixtrans-61.5142.3176.1179.3174.7-44.800109.8D32Q30-D32 PolarHBondContact O-N 2.79Å; Q30-D32 VanDerWaalsContact O-N 3.15Å
31K82.1Confident83.9Confident57 Ų57106.5 Ų106.525%0.24853%0.526CS..PPolyproline II helixtrans-56.5122.5173.9-68.4-164.7176.4-165.60111.6K449 T451 F454 I456K31-K449 HydrophobicContact CD-CG 4.41Å; K31-K449 WeakPolarHBondContact CD-O 3.09Å; K31-K449 WeakPolarHBondContact CE-O 3.2Å; K31-K449 PolarHBondContact NZ-O 3.29Å; K31-K449 PolarHBondContact O-NZ 2.98Å; K31-T451 PolarHBondContact NZ-O 3.35Å; K31-F454 PolarHBondContact NZ-O 2.8Å; K31-I456 HydrophobicContact CB-CG2 4.4Å
32D79.8Confident84.5Confident132 Ų13299.8 Ų99.871%0.70650%0.498SS*.PPolyproline II helixtrans-69.5160.6172.7-60.8-40.7000111.9Q30 I456Q30-D32 PolarHBondContact O-N 2.79Å; Q30-D32 VanDerWaalsContact O-N 3.15Å; D32-I456 WeakPolarHBondContact O-CG2 3.27Å
33E85.8Confident85.2Confident93 Ų9391.6 Ų91.644%0.43547%0.467SS..BIsolated β-bridgetrans-76.9125.9175.7-67.8-178.8179.700109.7K90 I456E33-K90 IonicContact OE1-NZ 3.77Å; E33-K90 PolarHBondContact OE1-NZ 2.9Å; E33-I456 HydrophobicContact CG-CG2 4.3Å
34M91.3Very high85.6Confident63 Ų6393 Ų9331%0.3147%0.469SS..PPolyproline II helixtrans-76.5158.3174-64.3-65.4-64.700110.1Y93 Q455 I456 T457M34-Y93 WeakPolarHBondContact CB-OH 3.31Å; M34-Q455 HydrophobicContact CG-CB 3.88Å; M34-Q455 HydrophobicContact CG-CG 4.36Å; M34-I456 WeakPolarHBondContact CB-O 3.23Å; M34-I456 PolarHBondContact N-O 3.38Å; M34-T457 WeakPolarHBondContact O-CB 3.22Å; M34-T457 PolarHBondContact O-OG1 2.96Å
35P92.2Very high86.1Confident74 Ų7486.5 Ų86.548%0.48145%0.445SS..PPolyproline II helixtrans-60.8140.8169.7-22.233.4000111.9E37 H38P35-E37 WeakPolarHBondContact CB-OE2 3.44Å; P35-E37 PolarHBondContact O-N 3.2Å; P35-H38 VanDerWaalsContact O-CB 3.3Å; P35-H38 WeakPolarHBondContact O-CB 2.98Å; P35-H38 PolarHBondContact O-N 2.87Å
36P92Very high86.6Confident37 Ų3784 Ų8424%0.2442%0.416CS..Hα-helixtrans-62.9-30.5178.524.1-32.2000113H38 V39 R40 L459P36-H38 PolarHBondContact O-N 2.82Å; P36-V39 WeakPolarHBondContact O-CG1 3.49Å; P36-V39 PolarHBondContact O-N 3.49Å; P36-R40 PolarHBondContact O-N 3.39Å; P36-L459 HydrophobicContact CB-CD2 3.36Å
37E91.5Very high86.9Confident108 Ų10880.5 Ų80.551%0.50541%0.408SS..Hα-helixtrans-61.4-29177.6-62.169.9-149.300111.9P35 R40 K41P35-E37 WeakPolarHBondContact CB-OE2 3.44Å; P35-E37 PolarHBondContact O-N 3.2Å; E37-R40 PolarHBondContact O-N 3.01Å; E37-K41 WeakPolarHBondContact O-CB 3.14Å; E37-K41 PolarHBondContact O-N 3.05Å
38H93.4Very high87.1Confident67 Ų6778.3 Ų78.331%0.3139%0.392SS..Hα-helixtrans-62.4-49.6-179-179.6-120.5000111.5P35 P36 I42 Y93P35-H38 VanDerWaalsContact O-CB 3.3Å; P35-H38 WeakPolarHBondContact O-CB 2.98Å; P35-H38 PolarHBondContact O-N 2.87Å; P36-H38 PolarHBondContact O-N 2.82Å; H38-I42 WeakPolarHBondContact O-CD1 2.92Å; H38-I42 VanDerWaalsContact O-CG1 3.28Å; H38-I42 WeakPolarHBondContact O-CG1 2.91Å; H38-I42 PolarHBondContact O-N 2.96Å; H38-Y93 AromaticContact ND1-CZ 3.86Å; H38-Y93 PolarHBondContact ND1-OH 3.44Å
39V92.7Very high87.8Confident0 Ų070.3 Ų70.30%036%0.355CS..Hα-helixtrans-70.9-37177.8570000111.5P36 K41 I42 I43 Y93 T457 L459P36-V39 WeakPolarHBondContact O-CG1 3.49Å; P36-V39 PolarHBondContact O-N 3.49Å; V39-K41 PolarHBondContact O-N 3.46Å; V39-I42 PolarHBondContact O-N 3.18Å; V39-I43 HydrophobicContact CG2-CG1 4.21Å; V39-I43 WeakPolarHBondContact O-CG1 3.48Å; V39-I43 PolarHBondContact O-N 3.28Å; V39-Y93 HydrophobicContact CB-CD1 4.14Å; V39-Y93 HydrophobicContact CB-CD2 3.93Å; V39-Y93 HydrophobicContact CB-CE1 4.07Å; V39-Y93 HydrophobicContact CB-CE2 3.86Å; V39-Y93 HydrophobicContact CB-CG 4.07Å; V39-Y93 HydrophobicContact CG1-CE1 4.44Å; V39-Y93 HydrophobicContact CG2-CD1 4.19Å; V39-Y93 HydrophobicContact CG2-CD2 3.74Å; V39-Y93 HydrophobicContact CG2-CE2 4.2Å; V39-Y93 HydrophobicContact CG2-CG 3.74Å; V39-T457 HydrophobicContact CG1-CG2 4.09Å; V39-L459 HydrophobicContact CG1-CD1 3.82Å; V39-L459 HydrophobicContact CG1-CD2 4.09Å; V39-L459 HydrophobicContact CG1-CG 4.37Å
40R91.8Very high88.4Confident43 Ų4368.6 Ų68.616%0.16235%0.345CS..Hα-helixtrans-58.9-46.9177.3-162.4179.1-67.7155-3.4111.4P36 E37 I43 R44 E463P36-R40 PolarHBondContact O-N 3.39Å; E37-R40 PolarHBondContact O-N 3.01Å; R40-I43 PolarHBondContact O-N 2.65Å; R40-R44 WeakPolarHBondContact O-CB 3.4Å; R40-R44 PolarHBondContact O-N 3.47Å; R40-E463 IonicContact CZ-OE1 3.23Å; R40-E463 IonicContact CZ-OE2 3.18Å; R40-E463 IonicContact NE-OE1 2.66Å; R40-E463 PolarHBondContact NE-OE1 3.15Å; R40-E463 IonicContact NE-OE2 2.73Å; R40-E463 IonicContact NH2-OE1 2.74Å; R40-E463 IonicContact NH2-OE2 3.08Å; R40-E463 PolarHBondContact NH2-OE2 3.2Å
41K92.7Very high88.9Confident139 Ų13965.6 Ų65.660%0.60433%0.333SS*.Hα-helixtrans-61.3-44.6175.2-174.6167.2-175.5162.80112.4E37 V39 I43 R44 D45E37-K41 WeakPolarHBondContact O-CB 3.14Å; E37-K41 PolarHBondContact O-N 3.05Å; V39-K41 PolarHBondContact O-N 3.46Å; K41-I43 PolarHBondContact O-N 2.95Å; K41-R44 PolarHBondContact O-N 3.37Å; K41-D45 WeakPolarHBondContact O-CB 3.23Å; K41-D45 VanDerWaalsContact O-CG 3.3Å; K41-D45 PolarHBondContact O-N 2.95Å
42I93.5Very high89.2Confident23 Ų2373 Ų7312%0.11836%0.36CS..Hα-helixtrans-60.5-46.2178.1-68.2161.8000111.3H38 V39 R44 D45 H46 Y93 I95H38-I42 WeakPolarHBondContact O-CD1 2.92Å; H38-I42 VanDerWaalsContact O-CG1 3.28Å; H38-I42 WeakPolarHBondContact O-CG1 2.91Å; H38-I42 PolarHBondContact O-N 2.96Å; V39-I42 PolarHBondContact O-N 3.18Å; I42-R44 VanDerWaalsContact C-N 3.33Å; I42-R44 PolarHBondContact O-N 3.39Å; I42-D45 PolarHBondContact O-N 3.46Å; I42-H46 WeakPolarHBondContact O-CB 3.5Å; I42-H46 PolarHBondContact O-CD2 3.32Å; I42-H46 PolarHBondContact O-N 2.84Å; I42-Y93 HydrophobicContact CD1-CE2 4.45Å; I42-I95 WeakPolarHBondContact CD1-O 3.45Å
43I91.3Very high89.6Confident12 Ų1274.3 Ų74.36%0.06236%0.359CS..Hα-helixtrans-65.8-38-179.6-65.2-68.5000111.2V39 R40 K41 G47 G97 Q467 Q471V39-I43 HydrophobicContact CG2-CG1 4.21Å; V39-I43 WeakPolarHBondContact O-CG1 3.48Å; V39-I43 PolarHBondContact O-N 3.28Å; R40-I43 PolarHBondContact O-N 2.65Å; K41-I43 PolarHBondContact O-N 2.95Å; I43-G47 PolarHBondContact O-N 2.9Å; I43-G97 WeakPolarHBondContact CD1-O 3.18Å; I43-Q467 HydrophobicContact CG1-CG 4.28Å; I43-Q467 HydrophobicContact CG2-CG 4.4Å; I43-Q471 HydrophobicContact CD1-CG 4.27Å; I43-Q471 VanDerWaalsContact CD1-NE2 3.34Å
44R91.1Very high89.8Confident136 Ų13670.9 Ų70.951%0.51334%0.343SS..Hα-helixtrans-65.9-50.1175.5-169.8173.3-179.9148.35.4111.5R40 K41 I42 H46 G47 D153R40-R44 WeakPolarHBondContact O-CB 3.4Å; R40-R44 PolarHBondContact O-N 3.47Å; K41-R44 PolarHBondContact O-N 3.37Å; I42-R44 VanDerWaalsContact C-N 3.33Å; I42-R44 PolarHBondContact O-N 3.39Å; R44-H46 PolarHBondContact O-N 2.92Å; R44-G47 PolarHBondContact O-N 3.09Å; R44-G47 VanDerWaalsContact O-N 3.11Å; R44-D153 IonicContact CZ-OD1 3.91Å; R44-D153 IonicContact CZ-OD2 3.16Å; R44-D153 IonicContact NH1-OD1 2.68Å; R44-D153 PolarHBondContact NH1-OD1 2.92Å; R44-D153 VanDerWaalsContact NH1-OD1 3.09Å; R44-D153 IonicContact NH1-OD2 3.29Å; R44-D153 IonicContact NH2-OD2 2.7Å
45D91.2Very high89.7Confident86 Ų8676.1 Ų76.146%0.4636%0.359SS..Hα-helixtrans-61.9-40.3-178-75.7-9.9000112.7K41 I42 G47 F54K41-D45 WeakPolarHBondContact O-CB 3.23Å; K41-D45 VanDerWaalsContact O-CG 3.3Å; K41-D45 PolarHBondContact O-N 2.95Å; I42-D45 PolarHBondContact O-N 3.46Å; D45-G47 VanDerWaalsContact C-N 3.29Å; D45-G47 PolarHBondContact O-N 2.84Å; D45-F54 HydrophobicContact CB-CZ 4.19Å; D45-F54 WeakPolarHBondContact O-CE2 3.41Å; D45-F54 WeakPolarHBondContact O-CZ 3.31Å
46H90.3Very high89.5Confident15 Ų1580.2 Ų80.27%0.06937%0.372CS..Hα-helixtrans-69.8-26.3177.3-84.9-108000113.1I42 R44 D48 M49 F54 D57 Y61 T96I42-H46 WeakPolarHBondContact O-CB 3.5Å; I42-H46 PolarHBondContact O-CD2 3.32Å; I42-H46 PolarHBondContact O-N 2.84Å; R44-H46 PolarHBondContact O-N 2.92Å; H46-D48 PolarHBondContact O-N 3.08Å; H46-M49 HydrophobicContact CB-SD 3.87Å; H46-M49 PolarHBondContact ND1-SD 3.5Å; H46-M49 PolarHBondContact O-N 3.17Å; H46-F54 AromaticContact CD2-CD1 3.93Å; H46-F54 AromaticContact CD2-CE1 3.8Å; H46-F54 AromaticContact CE1-CD1 3.5Å; H46-F54 VanDerWaalsContact CE1-CD1 3.5Å; H46-F54 WeakPolarHBondContact CE1-CD1 3.4Å; H46-F54 AromaticContact ND1-CD1 3.86Å; H46-F54 AromaticContact NE2-CD1 3.55Å; H46-F54 AromaticContact NE2-CE1 3.68Å; H46-D57 IonicContact CE1-OD2 3.46Å; H46-D57 PolarHBondContact CE1-OD2 3.11Å; H46-Y61 AromaticContact ND1-CE2 3.66Å; H46-T96 PolarHBondContact CE1-O 3.38Å
47G87Confident89.5Confident28 Ų2880.2 Ų80.229%0.28937%0.37SS..THydrogen-bonded Turntrans50.4-120.5175.100000113.6I43 R44 D45 N474I43-G47 PolarHBondContact O-N 2.9Å; R44-G47 PolarHBondContact O-N 3.09Å; R44-G47 VanDerWaalsContact O-N 3.11Å; D45-G47 VanDerWaalsContact C-N 3.29Å; D45-G47 PolarHBondContact O-N 2.84Å; G47-N474 PolarHBondContact O-ND2 3.43Å
48D79.6Confident89.5Confident79 Ų7977.9 Ų77.942%0.42236%0.358SS..THydrogen-bonded Turntrans-98.88.517969.9-7.4000113.7H46 T50H46-D48 PolarHBondContact O-N 3.08Å; D48-T50 VanDerWaalsContact CG-CG2 3.45Å; D48-T50 PolarHBondContact O-N 2.8Å; D48-T50 WeakPolarHBondContact OD1-CB 3.24Å; D48-T50 WeakPolarHBondContact OD1-CG2 3.11Å; D48-T50 PolarHBondContact OD1-N 3.46Å; D48-T50 PolarHBondContact OD1-OG1 3.3Å; D48-T50 WeakPolarHBondContact OD2-CG2 3.47Å; D48-T50 PolarHBondContact OD2-OG1 3.19Å
49M85.4Confident89.5Confident1 Ų183.1 Ų83.11%0.00538%0.375CS..SBendtrans59.524-176.4-57.5-66.4-63.600114.4H46 F54 D57 K58 Y61 L478H46-M49 HydrophobicContact CB-SD 3.87Å; H46-M49 PolarHBondContact ND1-SD 3.5Å; H46-M49 PolarHBondContact O-N 3.17Å; M49-F54 HydrophobicContact CE-CB 3.79Å; M49-F54 WeakPolarHBondContact CE-O 3.5Å; M49-F54 HydrophobicContact SD-CB 4.25Å; M49-D57 HydrophobicContact CE-CB 3.92Å; M49-K58 HydrophobicContact CE-CB 4.44Å; M49-K58 HydrophobicContact CE-CG 3.76Å; M49-K58 WeakPolarHBondContact O-CE 3.46Å; M49-K58 PolarHBondContact O-NZ 2.92Å; M49-Y61 HydrophobicContact CE-CD2 3.81Å; M49-Y61 HydrophobicContact CE-CE2 3.89Å; M49-Y61 HydrophobicContact CE-CG 4.5Å; M49-Y61 HydrophobicContact CG-CD1 4.46Å; M49-Y61 HydrophobicContact CG-CE1 4.38Å; M49-Y61 HydrophobicContact CG-CE2 4.49Å; M49-Y61 HydrophobicContact SD-CD2 4.06Å; M49-Y61 HydrophobicContact SD-CE1 4.41Å; M49-Y61 HydrophobicContact SD-CE2 3.65Å; M49-L478 HydrophobicContact CB-CD1 4.12Å; M49-L478 HydrophobicContact CB-CD2 4.1Å; M49-L478 HydrophobicContact CB-CG 4.39Å; M49-L478 HydrophobicContact CG-CD1 4.18Å
50T85.4Confident89.5Confident95 Ų9585.4 Ų85.458%0.58339%0.389SS*.  trans-77.4-37172.5560000111.8D48 R52D48-T50 VanDerWaalsContact CG-CG2 3.45Å; D48-T50 PolarHBondContact O-N 2.8Å; D48-T50 WeakPolarHBondContact OD1-CB 3.24Å; D48-T50 WeakPolarHBondContact OD1-CG2 3.11Å; D48-T50 PolarHBondContact OD1-N 3.46Å; D48-T50 PolarHBondContact OD1-OG1 3.3Å; D48-T50 WeakPolarHBondContact OD2-CG2 3.47Å; D48-T50 PolarHBondContact OD2-OG1 3.19Å; T50-R52 PolarHBondContact O-N 2.88Å
51N87.3Confident89.6Confident90 Ų9083.5 Ų83.548%0.48138%0.381SS..SBendtrans-55.7134.4-177.9-168.4-24.8000112.4K53 F54N51-K53 VanDerWaalsContact C-N 3.25Å; N51-K53 PolarHBondContact O-N 2.98Å; N51-K53 PolarHBondContact OD1-N 3.23Å; N51-F54 HydrophobicContact CB-CD2 4.09Å; N51-F54 HydrophobicContact CB-CE2 4.41Å; N51-F54 PolarHBondContact O-N 3.16Å
52R87.3Confident89.6Confident212 Ų21277.2 Ų77.280%0.836%0.355SS*.G310 helixtrans-63.7-29.3-179.6-173.6175.2173.7176.3-2.3112.3T50 F54 R55T50-R52 PolarHBondContact O-N 2.88Å; R52-F54 PolarHBondContact O-N 3.24Å; R52-R55 WeakPolarHBondContact O-CB 3.27Å; R52-R55 PolarHBondContact O-N 2.71Å; R52-R55 VanDerWaalsContact O-N 3.13Å
53K89.9Confident89.6Confident159 Ų15977.7 Ų77.769%0.69137%0.365SS*.G310 helixtrans-52.6-38.4178.4-172.3177.5177.7-177.80112.3N51N51-K53 VanDerWaalsContact C-N 3.25Å; N51-K53 PolarHBondContact O-N 2.98Å; N51-K53 PolarHBondContact OD1-N 3.23Å
54F89Confident89.8Confident21 Ų2177.7 Ų77.79%0.09237%0.367CS..G310 helixtrans-98.221.7-176-51.7-70.2000113.8D45 H46 M49 N51 R52 H56 D57 K58D45-F54 HydrophobicContact CB-CZ 4.19Å; D45-F54 WeakPolarHBondContact O-CE2 3.41Å; D45-F54 WeakPolarHBondContact O-CZ 3.31Å; H46-F54 AromaticContact CD2-CD1 3.93Å; H46-F54 AromaticContact CD2-CE1 3.8Å; H46-F54 AromaticContact CE1-CD1 3.5Å; H46-F54 VanDerWaalsContact CE1-CD1 3.5Å; H46-F54 WeakPolarHBondContact CE1-CD1 3.4Å; H46-F54 AromaticContact ND1-CD1 3.86Å; H46-F54 AromaticContact NE2-CD1 3.55Å; H46-F54 AromaticContact NE2-CE1 3.68Å; M49-F54 HydrophobicContact CE-CB 3.79Å; M49-F54 WeakPolarHBondContact CE-O 3.5Å; M49-F54 HydrophobicContact SD-CB 4.25Å; N51-F54 HydrophobicContact CB-CD2 4.09Å; N51-F54 HydrophobicContact CB-CE2 4.41Å; N51-F54 PolarHBondContact O-N 3.16Å; R52-F54 PolarHBondContact O-N 3.24Å; F54-H56 VanDerWaalsContact C-N 3.25Å; F54-H56 PolarHBondContact O-N 2.84Å; F54-D57 PolarHBondContact O-N 3.25Å; F54-D57 VanDerWaalsContact O-N 3.14Å; F54-K58 PolarHBondContact O-N 2.8Å
55R88.6Confident89.9Confident173 Ų17371.2 Ų71.265%0.65334%0.342SS*.THydrogen-bonded Turntrans-55.9-39.5-179.2-178.1-178.3-177.6-179.42.1112.6R52 D57 K58R52-R55 WeakPolarHBondContact O-CB 3.27Å; R52-R55 PolarHBondContact O-N 2.71Å; R52-R55 VanDerWaalsContact O-N 3.13Å; R55-D57 VanDerWaalsContact C-N 3.31Å; R55-D57 PolarHBondContact O-N 3.5Å; R55-K58 PolarHBondContact O-N 3.16Å
56H88.9Confident90.1Very high161 Ų16170.3 Ų70.375%0.74533%0.334SS*.THydrogen-bonded Turntrans-65.8-35.8-179.3-64.2-74.3000111.7F54 K58F54-H56 VanDerWaalsContact C-N 3.25Å; F54-H56 PolarHBondContact O-N 2.84Å; H56-K58 PolarHBondContact O-N 3.04Å
57D92Very high90.4Very high37 Ų3772.5 Ų72.520%0.19834%0.342CS..THydrogen-bonded Turntrans-77.4-20-177.3-55-48.8000113.2H46 M49 F54 R55 R59 V60 Y61H46-D57 IonicContact CE1-OD2 3.46Å; H46-D57 PolarHBondContact CE1-OD2 3.11Å; M49-D57 HydrophobicContact CE-CB 3.92Å; F54-D57 PolarHBondContact O-N 3.25Å; F54-D57 VanDerWaalsContact O-N 3.14Å; R55-D57 VanDerWaalsContact C-N 3.31Å; R55-D57 PolarHBondContact O-N 3.5Å; D57-R59 PolarHBondContact O-N 3.49Å; D57-V60 WeakPolarHBondContact O-CA 3.2Å; D57-V60 WeakPolarHBondContact O-CB 3.48Å; D57-V60 PolarHBondContact O-N 3.03Å; D57-Y61 WeakPolarHBondContact O-CD2 3.37Å; D57-Y61 PolarHBondContact O-N 3.13Å
58K92.2Very high90.8Very high59 Ų5971.2 Ų71.226%0.25733%0.329SS..Hα-helixtrans-53.5-33176-60.6-169.6-166.6-154.10112.5M49 F54 R55 H56 L62 L478M49-K58 HydrophobicContact CE-CB 4.44Å; M49-K58 HydrophobicContact CE-CG 3.76Å; M49-K58 WeakPolarHBondContact O-CE 3.46Å; M49-K58 PolarHBondContact O-NZ 2.92Å; F54-K58 PolarHBondContact O-N 2.8Å; R55-K58 PolarHBondContact O-N 3.16Å; H56-K58 PolarHBondContact O-N 3.04Å; K58-L62 PolarHBondContact O-N 3.41Å; K58-L478 HydrophobicContact CB-CD1 4.29Å; K58-L478 HydrophobicContact CB-CD2 4.44Å; K58-L478 HydrophobicContact CD-CD2 3.96Å; K58-L478 HydrophobicContact CG-CD2 4.21Å
59R91.6Very high91.5Very high176 Ų17667.5 Ų67.566%0.66431%0.309SS*.Hα-helixtrans-69.2-39.7175.9-178178.1-74.5-169.7-1.6111.6D57 L62 G63 F632D57-R59 PolarHBondContact O-N 3.49Å; R59-L62 PolarHBondContact O-N 3.15Å; R59-G63 PolarHBondContact O-N 3.12Å; R59-F632 HydrophobicContact CG-CE1 4.09Å; R59-F632 HydrophobicContact CG-CZ 4.15Å
60V93.5Very high91.9Very high49 Ų4969.6 Ų69.630%0.29732%0.319SS..Hα-helixtrans-65.5-45.3179.3-176.10000110.4D57 L62 G63 A64 A98D57-V60 WeakPolarHBondContact O-CA 3.2Å; D57-V60 WeakPolarHBondContact O-CB 3.48Å; D57-V60 PolarHBondContact O-N 3.03Å; V60-L62 PolarHBondContact O-N 3.48Å; V60-G63 PolarHBondContact O-N 3.27Å; V60-G63 VanDerWaalsContact O-N 3.09Å; V60-A64 WeakPolarHBondContact O-CB 3.21Å; V60-A64 PolarHBondContact O-N 2.96Å; V60-A98 HydrophobicContact CG1-CB 3.85Å
61Y94.1Very high92.4Very high2 Ų265 Ų651%0.00829%0.291CS..Hα-helixtrans-55.9-48174-86.7-103.6000111.8H46 M49 D57 G63 A64 L65 T96 G97 A98 N474 M475 L478H46-Y61 AromaticContact ND1-CE2 3.66Å; M49-Y61 HydrophobicContact CE-CD2 3.81Å; M49-Y61 HydrophobicContact CE-CE2 3.89Å; M49-Y61 HydrophobicContact CE-CG 4.5Å; M49-Y61 HydrophobicContact CG-CD1 4.46Å; M49-Y61 HydrophobicContact CG-CE1 4.38Å; M49-Y61 HydrophobicContact CG-CE2 4.49Å; M49-Y61 HydrophobicContact SD-CD2 4.06Å; M49-Y61 HydrophobicContact SD-CE1 4.41Å; M49-Y61 HydrophobicContact SD-CE2 3.65Å; D57-Y61 WeakPolarHBondContact O-CD2 3.37Å; D57-Y61 PolarHBondContact O-N 3.13Å; Y61-G63 VanDerWaalsContact C-N 3.33Å; Y61-G63 PolarHBondContact O-N 2.82Å; Y61-A64 PolarHBondContact O-N 3.17Å; Y61-L65 PolarHBondContact O-N 2.78Å; Y61-T96 PolarHBondContact OH-O 3.39Å; Y61-G97 PolarHBondContact OH-O 2.81Å; Y61-A98 HydrophobicContact CD2-CB 3.96Å; Y61-A98 HydrophobicContact CE2-CB 4.08Å; Y61-A98 HydrophobicContact CG-CB 4.25Å; Y61-N474 HydrophobicContact CD1-CB 4.31Å; Y61-N474 HydrophobicContact CE1-CB 4.44Å; Y61-M475 WeakPolarHBondContact O-CG 3.26Å; Y61-L478 HydrophobicContact CG-CD1 4.42Å
62L93.2Very high92.8Very high8 Ų860.8 Ų60.84%0.04227%0.268CS..Hα-helixtrans-61.9-38.3175.8-76.9175.9000112.7K58 R59 V60 L65 L478 L479 R482 L628 F632K58-L62 PolarHBondContact O-N 3.41Å; R59-L62 PolarHBondContact O-N 3.15Å; V60-L62 PolarHBondContact O-N 3.48Å; L62-L65 WeakPolarHBondContact O-CB 3.39Å; L62-L65 PolarHBondContact O-N 2.74Å; L62-L478 HydrophobicContact CD2-CB 4.07Å; L62-L478 HydrophobicContact CG-CB 4.3Å; L62-L479 HydrophobicContact CD2-CB 3.86Å; L62-L479 HydrophobicContact CD2-CD1 4.32Å; L62-R482 HydrophobicContact CD1-CG 4.37Å; L62-L628 HydrophobicContact CB-CD2 4.3Å; L62-L628 WeakPolarHBondContact O-CD1 3.33Å; L62-L628 VanDerWaalsContact O-CD2 3.24Å; L62-L628 WeakPolarHBondContact O-CD2 3.49Å; L62-F632 HydrophobicContact CB-CE2 4.17Å; L62-F632 HydrophobicContact CB-CZ 3.68Å; L62-F632 HydrophobicContact CD1-CE1 4.23Å; L62-F632 HydrophobicContact CD1-CZ 3.77Å; L62-F632 HydrophobicContact CG-CZ 4.4Å
63G92.6Very high93.2Very high33 Ų3351.9 Ų51.934%0.3424%0.237SC..Hα-helixtrans-65-38.8175.400000113R59 V60 Y61 L65 K66R59-G63 PolarHBondContact O-N 3.12Å; V60-G63 PolarHBondContact O-N 3.27Å; V60-G63 VanDerWaalsContact O-N 3.09Å; Y61-G63 VanDerWaalsContact C-N 3.33Å; Y61-G63 PolarHBondContact O-N 2.82Å; G63-L65 PolarHBondContact O-N 3.44Å; G63-K66 PolarHBondContact O-N 3.46Å
64A94.8Very high93.5Very high11 Ų1145.4 Ų45.49%0.09121%0.208CC..Hα-helixtrans-66.4-23.2179.200000113.4V60 Y61 K66 Y67 M68 A98 I99 M475V60-A64 WeakPolarHBondContact O-CB 3.21Å; V60-A64 PolarHBondContact O-N 2.96Å; Y61-A64 PolarHBondContact O-N 3.17Å; A64-K66 PolarHBondContact O-N 2.85Å; A64-Y67 PolarHBondContact O-N 3.46Å; A64-M68 PolarHBondContact O-N 3.01Å; A64-A98 HydrophobicContact CB-CB 4.16Å; A64-I99 HydrophobicContact CB-CB 4.09Å; A64-I99 HydrophobicContact CB-CG2 4.19Å; A64-M475 HydrophobicContact CB-CE 3.57Å
65L94.7Very high93.9Very high0 Ų044.5 Ų44.50%020%0.204CC..G310 helixtrans-53.2-30.8175.4-179.960.6000113.1Y61 L62 G63 Y67 M68 M475 L476 L479 L624 L628Y61-L65 PolarHBondContact O-N 2.78Å; L62-L65 WeakPolarHBondContact O-CB 3.39Å; L62-L65 PolarHBondContact O-N 2.74Å; G63-L65 PolarHBondContact O-N 3.44Å; L65-Y67 PolarHBondContact O-N 3.08Å; L65-M68 HydrophobicContact CD1-CB 4.39Å; L65-M68 WeakPolarHBondContact O-CB 3.27Å; L65-M68 PolarHBondContact O-N 3.34Å; L65-M475 WeakPolarHBondContact CA-SD 3.47Å; L65-M475 HydrophobicContact CB-CB 4.2Å; L65-M475 HydrophobicContact CB-CG 4.35Å; L65-M475 HydrophobicContact CB-SD 3.83Å; L65-M475 HydrophobicContact CD1-CB 3.99Å; L65-M475 HydrophobicContact CD1-SD 4.05Å; L65-M475 HydrophobicContact CG-CB 4.5Å; L65-M475 PolarHBondContact N-SD 2.98Å; L65-L476 HydrophobicContact CD1-CD2 4.08Å; L65-L476 HydrophobicContact CD2-CD2 4.31Å; L65-L479 HydrophobicContact CD2-CD2 4.2Å; L65-L624 HydrophobicContact CD2-CD2 4.29Å; L65-L624 HydrophobicContact CG-CD1 4.4Å; L65-L624 HydrophobicContact CG-CD2 4.3Å; L65-L624 WeakPolarHBondContact O-CD1 3.48Å; L65-L628 HydrophobicContact CB-CD1 4.34Å; L65-L628 HydrophobicContact CD2-CD2 4.47Å
66K95Very high94.2Very high68 Ų6836.4 Ų36.430%0.29617%0.174SC..G310 helixtrans-56.4-39.5174.4177.6-175.9170.9-164.40112.3G63 A64 P69 E621 L628G63-K66 PolarHBondContact O-N 3.46Å; A64-K66 PolarHBondContact O-N 2.85Å; K66-P69 WeakPolarHBondContact O-CD 3.26Å; K66-E621 HydrophobicContact CG-CB 4.3Å; K66-E621 HydrophobicContact CG-CG 4.46Å; K66-E621 WeakPolarHBondContact O-CG 3.3Å; K66-L628 HydrophobicContact CB-CD1 4.31Å
67Y95.6Very high94.5Very high60 Ų6029.2 Ų29.224%0.23514%0.141CC..G310 helixtrans-95.3-2.9-173.8-61.8-75.5000113.7A64 L65 P69 H70 A71 L444 F448 E621A64-Y67 PolarHBondContact O-N 3.46Å; L65-Y67 PolarHBondContact O-N 3.08Å; Y67-P69 VanDerWaalsContact C-CD 3.42Å; Y67-P69 VanDerWaalsContact C-N 3.32Å; Y67-H70 WeakPolarHBondContact O-CA 3.48Å; Y67-H70 WeakPolarHBondContact O-CB 3.26Å; Y67-H70 PolarHBondContact O-N 3.22Å; Y67-A71 PolarHBondContact O-N 2.89Å; Y67-L444 HydrophobicContact CD1-CD2 4.45Å; Y67-L444 HydrophobicContact CE1-CD1 4.44Å; Y67-F448 HydrophobicContact CD1-CE2 4.44Å; Y67-F448 HydrophobicContact CD1-CZ 4.15Å; Y67-F448 AromaticContact CE1-CZ 3.89Å; Y67-F448 HydrophobicContact CE1-CZ 3.89Å; Y67-F448 HydrophobicContact CE2-CZ 4.35Å; Y67-F448 HydrophobicContact CG-CZ 4.48Å; Y67-E621 WeakPolarHBondContact CD1-OE1 3.5Å
68M95.5Very high94.7Very high1 Ų127.6 Ų27.61%0.00513%0.132CC..Hα-helixtrans-52.2-40.6176-173.654.567.300113.7A64 L65 H70 A71 V72 I99 V468 Q471 M475 L523A64-M68 PolarHBondContact O-N 3.01Å; L65-M68 HydrophobicContact CD1-CB 4.39Å; L65-M68 WeakPolarHBondContact O-CB 3.27Å; L65-M68 PolarHBondContact O-N 3.34Å; M68-H70 VanDerWaalsContact C-N 3.26Å; M68-H70 PolarHBondContact O-N 3.1Å; M68-A71 PolarHBondContact O-N 3.5Å; M68-A71 HydrophobicContact SD-CB 4.37Å; M68-V72 WeakPolarHBondContact O-CG2 3.15Å; M68-V72 PolarHBondContact O-N 3.42Å; M68-V72 HydrophobicContact SD-CG2 4.37Å; M68-I99 HydrophobicContact CE-CD1 4.35Å; M68-I99 HydrophobicContact CE-CG1 4.49Å; M68-V468 HydrophobicContact SD-CG1 3.9Å; M68-Q471 HydrophobicContact CE-CB 4.1Å; M68-M475 HydrophobicContact CB-SD 4.45Å; M68-M475 HydrophobicContact CE-CE 3.42Å; M68-M475 VanDerWaalsContact CE-CE 3.42Å; M68-M475 HydrophobicContact CE-SD 3.4Å; M68-M475 WeakPolarHBondContact CE-SD 3.43Å; M68-L523 HydrophobicContact CG-CD1 4.38Å; M68-L523 HydrophobicContact CG-CD2 3.87Å; M68-L523 HydrophobicContact CG-CG 4.41Å; M68-L523 HydrophobicContact SD-CD2 3.88Å
69P95.1Very high94.8Very high2 Ų224.8 Ų24.81%0.01312%0.12CC..Hα-helixtrans-61.5-29.3174.6-22.433.7000114.5K66 Y67 L73 M613 T617 L620 L624K66-P69 WeakPolarHBondContact O-CD 3.26Å; Y67-P69 VanDerWaalsContact C-CD 3.42Å; Y67-P69 VanDerWaalsContact C-N 3.32Å; P69-L73 PolarHBondContact O-N 3.5Å; P69-M613 WeakPolarHBondContact O-CE 3.21Å; P69-T617 HydrophobicContact CB-CG2 4.21Å; P69-T617 PolarHBondContact O-OG1 3.01Å; P69-L620 HydrophobicContact CB-CB 4.3Å; P69-L620 HydrophobicContact CB-CD1 4.35Å; P69-L620 HydrophobicContact CG-CB 3.63Å; P69-L620 HydrophobicContact CG-CD1 3.97Å; P69-L620 HydrophobicContact CG-CG 4.46Å; P69-L624 HydrophobicContact CG-CD1 4.22Å
70H94.5Very high94.9Very high44 Ų4416.7 Ų16.720%0.2049%0.09CC..Hα-helixtrans-73.5-41.8173.9-91.2106.6000111.5Y67 M68 V72 L73 K74 F101 T617 E621Y67-H70 WeakPolarHBondContact O-CA 3.48Å; Y67-H70 WeakPolarHBondContact O-CB 3.26Å; Y67-H70 PolarHBondContact O-N 3.22Å; M68-H70 VanDerWaalsContact C-N 3.26Å; M68-H70 PolarHBondContact O-N 3.1Å; H70-V72 PolarHBondContact O-N 3.38Å; H70-L73 PolarHBondContact O-N 3.29Å; H70-K74 WeakPolarHBondContact O-CG 3.33Å; H70-K74 PolarHBondContact O-N 2.98Å; H70-K74 VanDerWaalsContact O-N 3.14Å; H70-F101 HydrophobicContact CB-CE1 4.24Å; H70-T617 HydrophobicContact CB-CG2 4.27Å; H70-T617 WeakPolarHBondContact CE1-CG2 3.48Å; H70-T617 WeakPolarHBondContact ND1-CG2 3.29Å; H70-T617 WeakPolarHBondContact NE2-CG2 3.23Å; H70-E621 IonicContact CE1-OE1 3.93Å; H70-E621 PolarHBondContact CE1-OE1 2.89Å; H70-E621 IonicContact CE1-OE2 2.8Å; H70-E621 IonicContact CG-OE1 2.61Å; H70-E621 VanDerWaalsContact ND1-CD 3.3Å; H70-E621 IonicContact ND1-OE1 3.53Å; H70-E621 PolarHBondContact ND1-OE1 3.22Å; H70-E621 IonicContact ND1-OE2 3.37Å
71A95.7Very high94.9Very high0 Ų014.7 Ų14.70%08%0.078CC..Hα-helixtrans-58.3-47.9175.100000111.2Y67 M68 L73 K74 L75 I99 F101Y67-A71 PolarHBondContact O-N 2.89Å; M68-A71 PolarHBondContact O-N 3.5Å; M68-A71 HydrophobicContact SD-CB 4.37Å; A71-L73 PolarHBondContact O-N 3.25Å; A71-K74 PolarHBondContact O-N 3.18Å; A71-L75 WeakPolarHBondContact O-CB 3.47Å; A71-L75 PolarHBondContact O-N 3.01Å; A71-I99 HydrophobicContact CB-CD1 4.04Å; A71-I99 HydrophobicContact CB-CG1 4.13Å; A71-F101 HydrophobicContact CB-CD1 3.74Å; A71-F101 HydrophobicContact CB-CE1 3.89Å
72V96.1Very high94.9Very high1 Ų115.3 Ų15.31%0.0068%0.082CC..Hα-helixtrans-60.1-43.9176.6173.70000112.3M68 H70 K74 L75 L76 V468 I522 L523 T526 M613M68-V72 WeakPolarHBondContact O-CG2 3.15Å; M68-V72 PolarHBondContact O-N 3.42Å; M68-V72 HydrophobicContact SD-CG2 4.37Å; H70-V72 PolarHBondContact O-N 3.38Å; V72-K74 VanDerWaalsContact C-N 3.29Å; V72-K74 PolarHBondContact O-N 2.66Å; V72-L75 PolarHBondContact O-N 2.89Å; V72-L76 HydrophobicContact CG1-CD1 3.78Å; V72-L76 HydrophobicContact CG1-CG 4.18Å; V72-L76 WeakPolarHBondContact O-CB 3.44Å; V72-L76 WeakPolarHBondContact O-CG 3.33Å; V72-L76 PolarHBondContact O-N 3.48Å; V72-V468 HydrophobicContact CG2-CG1 4.33Å; V72-I522 HydrophobicContact CB-CG2 4.28Å; V72-I522 HydrophobicContact CG1-CG2 3.78Å; V72-I522 HydrophobicContact CG2-CG2 4.23Å; V72-L523 HydrophobicContact CG2-CD2 4.16Å; V72-T526 HydrophobicContact CG1-CG2 4.28Å; V72-T526 WeakPolarHBondContact CG1-OG1 3.26Å; V72-T526 HydrophobicContact CG2-CG2 4.47Å; V72-M613 HydrophobicContact CB-CE 4.03Å; V72-M613 HydrophobicContact CG1-CE 3.79Å
73L95.7Very high94.9Very high25 Ų2515.2 Ų15.213%0.1318%0.081CC..Hα-helixtrans-57.6-44.7178.417063.1000111.5P69 H70 A71 E77 L610 M613P69-L73 PolarHBondContact O-N 3.5Å; H70-L73 PolarHBondContact O-N 3.29Å; A71-L73 PolarHBondContact O-N 3.25Å; L73-E77 VanDerWaalsContact O-CB 3.24Å; L73-E77 WeakPolarHBondContact O-CB 3.43Å; L73-E77 PolarHBondContact O-N 3.06Å; L73-L610 HydrophobicContact CD1-CD2 4.19Å; L73-M613 HydrophobicContact CB-CB 4.26Å; L73-M613 HydrophobicContact CD1-CB 3.66Å; L73-M613 HydrophobicContact CG-CB 4.48Å
74K95.7Very high94.9Very high23 Ų2314.5 Ų14.510%0.17%0.069CC..Hα-helixtrans-75.9-33.1-176.2-66.4-60.3-53168.50113H70 A71 V72 E77 N78 V102 E104 F445H70-K74 WeakPolarHBondContact O-CG 3.33Å; H70-K74 PolarHBondContact O-N 2.98Å; H70-K74 VanDerWaalsContact O-N 3.14Å; A71-K74 PolarHBondContact O-N 3.18Å; V72-K74 VanDerWaalsContact C-N 3.29Å; V72-K74 PolarHBondContact O-N 2.66Å; K74-E77 IonicContact NZ-OE2 2.73Å; K74-E77 PolarHBondContact NZ-OE2 3.33Å; K74-N78 PolarHBondContact O-N 2.89Å; K74-N78 PolarHBondContact O-ND2 2.98Å; K74-V102 HydrophobicContact CB-CB 4.15Å; K74-V102 WeakPolarHBondContact CB-O 3.12Å; K74-V102 WeakPolarHBondContact CE-O 3.47Å; K74-E104 VanDerWaalsContact CE-O 3.25Å; K74-E104 WeakPolarHBondContact CE-O 3.48Å; K74-E104 PolarHBondContact NZ-O 2.59Å; K74-F445 HydrophobicContact CD-CE2 4.14Å; K74-F445 HydrophobicContact CG-CE2 3.71Å; K74-F445 HydrophobicContact CG-CZ 3.75Å
75L96.4Very high94.8Very high1 Ų117.7 Ų17.71%0.0058%0.082CC..Hα-helixtrans-61.3-57170.3179.168.5000110.2A71 V72 E77 N78 V102 W461 V464 V468 T526 V530A71-L75 WeakPolarHBondContact O-CB 3.47Å; A71-L75 PolarHBondContact O-N 3.01Å; V72-L75 PolarHBondContact O-N 2.89Å; L75-E77 VanDerWaalsContact C-N 3.28Å; L75-E77 PolarHBondContact O-N 3.32Å; L75-N78 PolarHBondContact O-N 3.34Å; L75-N78 VanDerWaalsContact O-N 3.1Å; L75-V102 HydrophobicContact CD1-CG2 4.33Å; L75-W461 HydrophobicContact CD1-CD2 4.24Å; L75-W461 HydrophobicContact CD1-CG 4.44Å; L75-W461 HydrophobicContact CD1-CZ2 4.01Å; L75-W461 HydrophobicContact CG-CZ2 3.99Å; L75-W461 PolarHBondContact O-NE1 3.27Å; L75-V464 HydrophobicContact CD1-CB 4.35Å; L75-V464 HydrophobicContact CD1-CG1 4.14Å; L75-V468 HydrophobicContact CD2-CB 4.23Å; L75-V468 HydrophobicContact CD2-CG1 4.29Å; L75-V468 HydrophobicContact CD2-CG2 4.46Å; L75-T526 HydrophobicContact CD2-CG2 3.6Å; L75-V530 HydrophobicContact CD2-CG2 4.28Å
76L95.6Very high94.6Very high4 Ų421 Ų212%0.02110%0.099CC..Hα-helixtrans-66.7-27.1-177.3-62.8-179.1000113.4V72 N78 T526 I529 W606 L610V72-L76 HydrophobicContact CG1-CD1 3.78Å; V72-L76 HydrophobicContact CG1-CG 4.18Å; V72-L76 WeakPolarHBondContact O-CB 3.44Å; V72-L76 WeakPolarHBondContact O-CG 3.33Å; V72-L76 PolarHBondContact O-N 3.48Å; L76-N78 VanDerWaalsContact C-N 3.28Å; L76-N78 PolarHBondContact O-N 2.91Å; L76-T526 HydrophobicContact CD2-CG2 4.34Å; L76-I529 HydrophobicContact CD1-CD1 4.45Å; L76-I529 HydrophobicContact CD2-CB 4.45Å; L76-I529 HydrophobicContact CD2-CD1 3.67Å; L76-I529 HydrophobicContact CD2-CG2 4.24Å; L76-W606 PolarHBondContact O-NE1 2.67Å; L76-L610 HydrophobicContact CB-CD2 3.68Å
77E95.1Very high94.5Very high10 Ų1018.5 Ų18.55%0.0479%0.088CC..Hα-helixtrans-65.9-29.5174.3170.1167.8-140.900112.3L73 K74 L75 P106 R392 I394 W606 L610L73-E77 VanDerWaalsContact O-CB 3.24Å; L73-E77 WeakPolarHBondContact O-CB 3.43Å; L73-E77 PolarHBondContact O-N 3.06Å; K74-E77 IonicContact NZ-OE2 2.73Å; K74-E77 PolarHBondContact NZ-OE2 3.33Å; L75-E77 VanDerWaalsContact C-N 3.28Å; L75-E77 PolarHBondContact O-N 3.32Å; E77-P106 HydrophobicContact CG-CG 3.83Å; E77-P106 WeakPolarHBondContact O-CG 3.4Å; E77-R392 IonicContact OE1-NH1 3.9Å; E77-R392 PolarHBondContact OE1-NH1 2.86Å; E77-I394 HydrophobicContact CB-CD1 4.34Å; E77-I394 HydrophobicContact CG-CD1 3.79Å; E77-I394 WeakPolarHBondContact OE1-CD1 3.19Å; E77-W606 WeakPolarHBondContact O-CZ2 3.16Å; E77-L610 HydrophobicContact CB-CD1 4.38Å; E77-L610 HydrophobicContact CB-CD2 4.37Å
78N95.6Very high94.4Very high2 Ų219.8 Ų19.81%0.01110%0.099CC..THydrogen-bonded Turntrans-106.224.8-177.4-64.7-74000113.1K74 L75 L76 R87 V89 V102 E104 P106 W461K74-N78 PolarHBondContact O-N 2.89Å; K74-N78 PolarHBondContact O-ND2 2.98Å; L75-N78 PolarHBondContact O-N 3.34Å; L75-N78 VanDerWaalsContact O-N 3.1Å; L76-N78 VanDerWaalsContact C-N 3.28Å; L76-N78 PolarHBondContact O-N 2.91Å; N78-R87 VanDerWaalsContact O-CD 3.29Å; N78-R87 WeakPolarHBondContact O-CD 3.32Å; N78-R87 PolarHBondContact O-NH1 2.89Å; N78-V89 HydrophobicContact CB-CG1 4.12Å; N78-V102 HydrophobicContact CB-CG1 4.15Å; N78-V102 VanDerWaalsContact ND2-CG1 3.32Å; N78-V102 WeakPolarHBondContact ND2-CG1 3.42Å; N78-E104 PolarHBondContact ND2-O 2.65Å; N78-E104 VanDerWaalsContact ND2-O 3.08Å; N78-P106 WeakPolarHBondContact OD1-CD 3.38Å; N78-W461 PolarHBondContact O-NE1 3.11Å
79M94.2Very high94.3Very high0 Ų019.8 Ų19.80%010%0.099CC..PPolyproline II helixtrans-56.6133.8177.2-161.7174.476.900111.3R87 W461 I529 L550 F554 W602M79-R87 PolarHBondContact O-NH1 3.27Å; M79-W461 HydrophobicContact CB-CZ2 4.12Å; M79-W461 HydrophobicContact CG-CH2 4.05Å; M79-W461 HydrophobicContact CG-CZ2 3.89Å; M79-I529 HydrophobicContact SD-CG2 3.6Å; M79-L550 HydrophobicContact CE-CD1 3.88Å; M79-L550 HydrophobicContact SD-CD1 4.35Å; M79-L550 HydrophobicContact SD-CD2 4.22Å; M79-F554 HydrophobicContact CE-CE2 4.03Å; M79-F554 HydrophobicContact CE-CZ 4.33Å; M79-F554 HydrophobicContact SD-CE2 4.33Å; M79-F554 HydrophobicContact SD-CZ 4.15Å; M79-W602 HydrophobicContact CE-CD2 3.88Å; M79-W602 HydrophobicContact CE-CE3 3.55Å; M79-W602 HydrophobicContact CE-CH2 3.2Å; M79-W602 HydrophobicContact CE-CZ2 3.51Å; M79-W602 HydrophobicContact CE-CZ3 3.22Å
80P93.7Very high94.3Very high7 Ų724.4 Ų24.45%0.04512%0.119CC..PPolyproline II helixtrans-54138.5177.4-2432.2000111.6E84 R87 W461P80-E84 WeakPolarHBondContact CA-OE2 3.23Å; P80-R87 HydrophobicContact CB-CB 4.34Å; P80-R87 HydrophobicContact CG-CB 4.05Å; P80-W461 HydrophobicContact CG-CB 4.27Å; P80-W461 HydrophobicContact CG-CD2 4.27Å; P80-W461 HydrophobicContact CG-CE3 4.25Å; P80-W461 HydrophobicContact CG-CG 4.28Å
81M94.2Very high94.3Very high6 Ų622.3 Ų22.33%0.0311%0.109CC..PPolyproline II helixtrans-80.1158.8176.3-64.1-65.7152.700110.2W83 E84 Y113 W117 A393 W602 W606M81-W83 HydrophobicContact CB-CD2 3.82Å; M81-W83 VanDerWaalsContact CB-CE2 3.44Å; M81-W83 HydrophobicContact CB-CE3 4.1Å; M81-W83 HydrophobicContact CB-CH2 3.76Å; M81-W83 HydrophobicContact CB-CZ2 3.41Å; M81-W83 VanDerWaalsContact CB-CZ2 3.41Å; M81-W83 HydrophobicContact CB-CZ3 4.08Å; M81-W83 HydrophobicContact CG-CH2 3.96Å; M81-W83 HydrophobicContact CG-CZ2 3.63Å; M81-W83 PolarHBondContact O-N 2.85Å; M81-W83 VanDerWaalsContact O-N 3.08Å; M81-W83 HydrophobicContact SD-CH2 4.36Å; M81-E84 HydrophobicContact CB-CG 4.28Å; M81-E84 PolarHBondContact N-OE2 2.72Å; M81-E84 WeakPolarHBondContact O-CB 3.47Å; M81-E84 PolarHBondContact O-N 2.97Å; M81-Y113 HydrophobicContact CE-CE2 4.49Å; M81-Y113 HydrophobicContact SD-CE2 4.12Å; M81-W117 HydrophobicContact SD-CZ2 4.09Å; M81-A393 HydrophobicContact CE-CB 4.21Å; M81-W602 HydrophobicContact CE-CH2 4.19Å; M81-W602 HydrophobicContact SD-CH2 3.62Å; M81-W602 HydrophobicContact SD-CZ2 4.26Å; M81-W602 HydrophobicContact SD-CZ3 4.48Å; M81-W606 HydrophobicContact CE-CH2 4.06Å; M81-W606 HydrophobicContact CE-CZ2 4.4Å; M81-W606 HydrophobicContact CE-CZ3 4.49Å
82P93.8Very high94.2Very high16 Ų1622.3 Ų22.310%0.10411%0.109CC..THydrogen-bonded Turntrans-63.2-20.1-170.5-23.335.3000115.8E84 W117 M120 M124 I164 W602P82-E84 VanDerWaalsContact C-N 3.34Å; P82-W117 HydrophobicContact CG-CH2 3.7Å; P82-W117 HydrophobicContact CG-CZ2 4.26Å; P82-W117 HydrophobicContact CG-CZ3 4.16Å; P82-M120 HydrophobicContact CB-SD 4.06Å; P82-M124 HydrophobicContact CB-CE 4.33Å; P82-M124 HydrophobicContact CG-CE 4.47Å; P82-I164 HydrophobicContact CB-CD1 4.12Å; P82-I164 PolarHBondContact O-N 2.77Å; P82-W602 HydrophobicContact CG-CZ2 3.91Å
83W94.5Very high94.2Very high5 Ų522.3 Ų22.32%0.01911%0.109CC..THydrogen-bonded Turntrans-87.6-1.6175.356.684.9000113.4M81 Y113 Q116 W117 M120 P163 I164 Y181M81-W83 HydrophobicContact CB-CD2 3.82Å; M81-W83 VanDerWaalsContact CB-CE2 3.44Å; M81-W83 HydrophobicContact CB-CE3 4.1Å; M81-W83 HydrophobicContact CB-CH2 3.76Å; M81-W83 HydrophobicContact CB-CZ2 3.41Å; M81-W83 VanDerWaalsContact CB-CZ2 3.41Å; M81-W83 HydrophobicContact CB-CZ3 4.08Å; M81-W83 HydrophobicContact CG-CH2 3.96Å; M81-W83 HydrophobicContact CG-CZ2 3.63Å; M81-W83 PolarHBondContact O-N 2.85Å; M81-W83 VanDerWaalsContact O-N 3.08Å; M81-W83 HydrophobicContact SD-CH2 4.36Å; W83-Y113 HydrophobicContact CH2-CD2 4.04Å; W83-Y113 AromaticContact CH2-CE2 3.87Å; W83-Y113 HydrophobicContact CH2-CE2 3.87Å; W83-Y113 HydrophobicContact CZ2-CD2 4.22Å; W83-Y113 HydrophobicContact CZ2-CE2 4.22Å; W83-Q116 HydrophobicContact CD2-CB 4.39Å; W83-Q116 HydrophobicContact CE3-CB 4.19Å; W83-Q116 HydrophobicContact CH2-CB 3.77Å; W83-Q116 HydrophobicContact CZ2-CB 4.01Å; W83-Q116 HydrophobicContact CZ2-CG 4.34Å; W83-Q116 HydrophobicContact CZ3-CB 3.88Å; W83-W117 AromaticContact CH2-CD1 3.68Å; W83-W117 HydrophobicContact CH2-CG 4.37Å; W83-W117 AromaticContact CH2-NE1 3.44Å; W83-W117 AromaticContact CZ3-CD1 3.87Å; W83-W117 HydrophobicContact CZ3-CD2 4.09Å; W83-W117 AromaticContact CZ3-CE2 3.84Å; W83-W117 HydrophobicContact CZ3-CG 4.13Å; W83-W117 HydrophobicContact CZ3-CZ2 4.37Å; W83-W117 AromaticContact CZ3-NE1 3.69Å; W83-M120 HydrophobicContact CB-CE 4.3Å; W83-M120 HydrophobicContact CB-SD 4.44Å; W83-M120 HydrophobicContact CE3-CG 3.67Å; W83-M120 HydrophobicContact CE3-SD 4.01Å; W83-M120 HydrophobicContact CZ3-CG 3.96Å; W83-P163 WeakPolarHBondContact O-CB 3.45Å; W83-P163 WeakPolarHBondContact O-CG 3.43Å; W83-I164 VanDerWaalsContact CA-O 3.3Å; W83-I164 WeakPolarHBondContact CA-O 3.34Å; W83-I164 WeakPolarHBondContact CB-O 3.49Å; W83-Y181 HydrophobicContact CB-CD1 3.59Å; W83-Y181 HydrophobicContact CB-CE1 4.14Å; W83-Y181 HydrophobicContact CB-CG 4.43Å; W83-Y181 AromaticContact CG-CD1 3.94Å; W83-Y181 HydrophobicContact CG-CD1 3.94Å
84E92.4Very high94.2Very high18 Ų1822.1 Ų22.18%0.08411%0.107CC..  trans-106.5130.6179.4-58.6173.6-176.400110.7P80 M81 P82 R87P80-E84 WeakPolarHBondContact CA-OE2 3.23Å; M81-E84 HydrophobicContact CB-CG 4.28Å; M81-E84 PolarHBondContact N-OE2 2.72Å; M81-E84 WeakPolarHBondContact O-CB 3.47Å; M81-E84 PolarHBondContact O-N 2.97Å; P82-E84 VanDerWaalsContact C-N 3.34Å; E84-R87 IonicContact OE1-CZ 3.01Å; E84-R87 IonicContact OE1-NE 2.63Å; E84-R87 IonicContact OE1-NH2 2.79Å; E84-R87 PolarHBondContact OE1-NH2 3.05Å; E84-R87 IonicContact OE2-CZ 3.73Å; E84-R87 IonicContact OE2-NE 2.77Å; E84-R87 PolarHBondContact OE2-NE 3.26Å; E84-R87 IonicContact OE2-NH2 3.53Å; E84-R87 PolarHBondContact OE2-NH2 2.73Å
85Q90.9Very high94.1Very high79 Ų7924 Ų2437%0.36912%0.117SC..SBendtrans-77.8-51.3173.1-67.9179-36.700112.3P160 L161 P163Q85-P160 HydrophobicContact CB-CB 3.99Å; Q85-P160 HydrophobicContact CB-CG 4.07Å; Q85-P160 HydrophobicContact CG-CB 4.45Å; Q85-P160 HydrophobicContact CG-CG 4.5Å; Q85-L161 WeakPolarHBondContact CG-O 3.22Å; Q85-L161 PolarHBondContact NE2-O 3Å; Q85-L161 VanDerWaalsContact NE2-O 3.13Å; Q85-P163 HydrophobicContact CG-CB 4.01Å; Q85-P163 HydrophobicContact CG-CG 3.76Å
86I91.9Very high93.9Very high70 Ų7024.8 Ų24.836%0.35912%0.123SC..  trans-131.1144.2-175.3-56.5-176.7000108.7P160I86-P160 HydrophobicContact CD1-CB 4.41Å; I86-P160 HydrophobicContact CD1-CG 3.89Å; I86-P160 HydrophobicContact CG1-CB 4.27Å; I86-P160 HydrophobicContact CG1-CG 4.12Å
87R93.1Very high93.7Very high14 Ų1424.6 Ų24.65%0.05312%0.122CC..  trans-133.9108.3172.7-176.4-175.2-79.5-174.9-8.4110.9N78 M79 P80 E84 V89 W461N78-R87 VanDerWaalsContact O-CD 3.29Å; N78-R87 WeakPolarHBondContact O-CD 3.32Å; N78-R87 PolarHBondContact O-NH1 2.89Å; M79-R87 PolarHBondContact O-NH1 3.27Å; P80-R87 HydrophobicContact CB-CB 4.34Å; P80-R87 HydrophobicContact CG-CB 4.05Å; E84-R87 IonicContact OE1-CZ 3.01Å; E84-R87 IonicContact OE1-NE 2.63Å; E84-R87 IonicContact OE1-NH2 2.79Å; E84-R87 PolarHBondContact OE1-NH2 3.05Å; E84-R87 IonicContact OE2-CZ 3.73Å; E84-R87 IonicContact OE2-NE 2.77Å; E84-R87 PolarHBondContact OE2-NE 3.26Å; E84-R87 IonicContact OE2-NH2 3.53Å; E84-R87 PolarHBondContact OE2-NH2 2.73Å; R87-V89 HydrophobicContact CG-CG1 4.02Å; R87-V89 PolarHBondContact O-N 3.2Å; R87-W461 WeakPolarHBondContact O-CB 3.34Å; R87-W461 PolarHBondContact O-N 2.8Å
88D93Very high93.6Very high88 Ų8824.1 Ų24.147%0.47112%0.12SC..EExtended strand (participates in β ladder)trans-79.4117172.9-65.6-41.3000111.8R183 L459 D460D88-R183 VanDerWaalsContact O-CZ 3.22Å; D88-R183 PolarHBondContact O-NH1 3.07Å; D88-R183 PolarHBondContact O-NH2 3.41Å; D88-L459 CarbonylContact C-O 3.6Å; D88-L459 WeakPolarHBondContact CA-O 3.43Å; D88-D460 PolarHBondContact OD1-N 3.13Å
89V94.1Very high93.6Very high0 Ų024.2 Ų24.20%012%0.12CC..EExtended strand (participates in β ladder)trans-107.1145.4-178.5-65.20000110.7N78 R87 V91 V102 L459 V464N78-V89 HydrophobicContact CB-CG1 4.12Å; R87-V89 HydrophobicContact CG-CG1 4.02Å; R87-V89 PolarHBondContact O-N 3.2Å; V89-V91 HydrophobicContact CG2-CG2 4.09Å; V89-V102 HydrophobicContact CB-CG1 3.78Å; V89-V102 HydrophobicContact CG1-CG1 4.24Å; V89-V102 HydrophobicContact CG2-CG1 3.95Å; V89-V102 HydrophobicContact CG2-CG2 3.98Å; V89-L459 PolarHBondContact N-O 3.41Å; V89-L459 PolarHBondContact O-N 3.4Å; V89-L459 VanDerWaalsContact O-N 3.1Å; V89-V464 HydrophobicContact CG2-CG2 4.14Å
90K93.4Very high93.8Very high100 Ų10024.2 Ų24.244%0.43512%0.12SC..EExtended strand (participates in β ladder)trans-72.2133.2170.6-62.1-164.9-177.7-136.70109.9E33 N103 E104E33-K90 IonicContact OE1-NZ 3.77Å; E33-K90 PolarHBondContact OE1-NZ 2.9Å; K90-N103 PolarHBondContact O-N 3.24Å; K90-E104 PolarHBondContact N-OE2 3.48Å
91V94.9Very high93.9Very high0 Ų024 Ų240%012%0.118CC..EExtended strand (participates in β ladder)trans-124.2140.3-171.2174.70000111.1V89 T100 F101 I456 T457 L459 V464V89-V91 HydrophobicContact CG2-CG2 4.09Å; V91-T100 HydrophobicContact CB-CG2 4.49Å; V91-T100 HydrophobicContact CG1-CG2 3.11Å; V91-F101 CarbonylContact C-O 3.58Å; V91-F101 VanDerWaalsContact CA-O 3.31Å; V91-F101 WeakPolarHBondContact CA-O 3.36Å; V91-I456 VanDerWaalsContact O-CA 3.26Å; V91-I456 WeakPolarHBondContact O-CA 3.38Å; V91-I456 WeakPolarHBondContact O-CG1 3.4Å; V91-T457 HydrophobicContact CB-CG2 4.07Å; V91-T457 HydrophobicContact CG1-CG2 4.43Å; V91-T457 PolarHBondContact N-O 3.49Å; V91-T457 PolarHBondContact O-N 2.85Å; V91-T457 VanDerWaalsContact O-N 3.08Å; V91-L459 HydrophobicContact CG1-CD1 4.48Å; V91-L459 HydrophobicContact CG2-CB 4.16Å; V91-L459 HydrophobicContact CG2-CD1 4.34Å; V91-L459 HydrophobicContact CG2-CG 4.43Å; V91-V464 HydrophobicContact CG2-CG1 4.45Å; V91-V464 HydrophobicContact CG2-CG2 3.42Å; V91-V464 VanDerWaalsContact CG2-CG2 3.42Å
92L94.9Very high94Very high0 Ų023.7 Ų23.70%012%0.117CC..EExtended strand (participates in β ladder)trans-114.9109.9170.5-174.477000108.8F101 N103 F445 F448 K449 F454 Q455L92-F101 HydrophobicContact CB-CB 4.43Å; L92-F101 PolarHBondContact N-O 2.8Å; L92-F101 PolarHBondContact O-N 3.16Å; L92-N103 HydrophobicContact CB-CB 4.26Å; L92-F445 HydrophobicContact CD2-CB 4.17Å; L92-F448 HydrophobicContact CD2-CB 3.73Å; L92-K449 HydrophobicContact CD1-CB 3.86Å; L92-K449 HydrophobicContact CD1-CG 4.16Å; L92-K449 HydrophobicContact CD2-CB 4.5Å; L92-F454 HydrophobicContact CD1-CB 3.85Å; L92-F454 HydrophobicContact CD2-CB 4.42Å; L92-F454 HydrophobicContact CD2-CD1 4.21Å; L92-F454 HydrophobicContact CD2-CG 4.45Å; L92-F454 HydrophobicContact CG-CB 4.01Å; L92-F454 HydrophobicContact CG-CD1 3.91Å; L92-F454 HydrophobicContact CG-CG 4.29Å; L92-Q455 WeakPolarHBondContact CA-O 3.24Å
93Y95.2Very high94Very high0 Ų025.5 Ų25.50%013%0.125CC..EExtended strand (participates in β ladder)trans-116.2150.2-176.365.1-85.2000111.8M34 H38 V39 I42 I99 F454 Q455 T457M34-Y93 WeakPolarHBondContact CB-OH 3.31Å; H38-Y93 AromaticContact ND1-CZ 3.86Å; H38-Y93 PolarHBondContact ND1-OH 3.44Å; V39-Y93 HydrophobicContact CB-CD1 4.14Å; V39-Y93 HydrophobicContact CB-CD2 3.93Å; V39-Y93 HydrophobicContact CB-CE1 4.07Å; V39-Y93 HydrophobicContact CB-CE2 3.86Å; V39-Y93 HydrophobicContact CB-CG 4.07Å; V39-Y93 HydrophobicContact CG1-CE1 4.44Å; V39-Y93 HydrophobicContact CG2-CD1 4.19Å; V39-Y93 HydrophobicContact CG2-CD2 3.74Å; V39-Y93 HydrophobicContact CG2-CE2 4.2Å; V39-Y93 HydrophobicContact CG2-CG 3.74Å; I42-Y93 HydrophobicContact CD1-CE2 4.45Å; Y93-I99 WeakPolarHBondContact CA-O 3.28Å; Y93-F454 VanDerWaalsContact C-CD1 3.5Å; Y93-F454 CarbonylContact O-C 3.57Å; Y93-F454 VanDerWaalsContact O-CA 3.23Å; Y93-F454 WeakPolarHBondContact O-CA 3.27Å; Y93-F454 WeakPolarHBondContact O-CD1 3.5Å; Y93-Q455 WeakPolarHBondContact CD1-O 3.14Å; Y93-Q455 HydrophobicContact CE1-CB 3.89Å; Y93-Q455 HydrophobicContact CE2-CB 4.07Å; Y93-Q455 PolarHBondContact N-O 3.2Å; Y93-Q455 PolarHBondContact O-N 2.86Å; Y93-T457 HydrophobicContact CD1-CG2 3.81Å; Y93-T457 HydrophobicContact CE1-CG2 3.62Å
94H95.5Very high93.8Very high22 Ų2227.3 Ų27.310%0.10213%0.134CC..EExtended strand (participates in β ladder)trans-73.8140.5173-168.3-90.3000110.3T96 G97 A98 I99 F453 F454H94-T96 PolarHBondContact CE1-OG1 2.93Å; H94-T96 PolarHBondContact ND1-N 3.31Å; H94-T96 PolarHBondContact ND1-OG1 3.03Å; H94-T96 PolarHBondContact O-N 2.95Å; H94-G97 PolarHBondContact O-N 3.47Å; H94-A98 HydrophobicContact CB-CB 4.23Å; H94-I99 HydrophobicContact CB-CG2 4.37Å; H94-I99 PolarHBondContact N-O 2.98Å; H94-F453 CarbonylContact C-O 3.48Å; H94-F453 WeakPolarHBondContact CA-O 3.23Å; H94-F454 HydrophobicContact CB-CD1 4.38Å; H94-F454 HydrophobicContact CB-CE1 3.99Å; H94-F454 HydrophobicContact CB-CZ 4.31Å; H94-F454 AromaticContact CD2-CE2 3.9Å; H94-F454 AromaticContact CD2-CZ 3.9Å
95I93.5Very high93.8Very high61 Ų6129.6 Ų29.631%0.31315%0.146SC..THydrogen-bonded Turntrans-57.8-22.6-175.8-166.561.2000114.1I42 F453 Q455I42-I95 WeakPolarHBondContact CD1-O 3.45Å; I95-F453 PolarHBondContact N-O 3.11Å; I95-Q455 HydrophobicContact CD1-CG 4.08Å
96T92.6Very high93.8Very high19 Ų1926.3 Ų26.312%0.11713%0.132CC..THydrogen-bonded Turntrans-958.8175.772.50000113.5H46 Y61 H94 A98H46-T96 PolarHBondContact CE1-O 3.38Å; Y61-T96 PolarHBondContact OH-O 3.39Å; H94-T96 PolarHBondContact CE1-OG1 2.93Å; H94-T96 PolarHBondContact ND1-N 3.31Å; H94-T96 PolarHBondContact ND1-OG1 3.03Å; H94-T96 PolarHBondContact O-N 2.95Å; T96-A98 PolarHBondContact O-N 3.36Å; T96-A98 VanDerWaalsContact O-N 3.17Å; T96-A98 WeakPolarHBondContact OG1-CB 3.45Å
97G92.2Very high93.9Very high0 Ų025.5 Ų25.50%013%0.125CC..SBendtrans68.113.7-17500000115.1I43 Y61 H94 I99 Q471I43-G97 WeakPolarHBondContact CD1-O 3.18Å; Y61-G97 PolarHBondContact OH-O 2.81Å; H94-G97 PolarHBondContact O-N 3.47Å; G97-I99 PolarHBondContact O-N 3.4Å; G97-Q471 PolarHBondContact O-NE2 3.15Å
98A93.1Very high93.9Very high0 Ų025.8 Ų25.80%013%0.128CC..SBendtrans-66-36.8-173.600000113.5V60 Y61 A64 H94 T96 M475V60-A98 HydrophobicContact CG1-CB 3.85Å; Y61-A98 HydrophobicContact CD2-CB 3.96Å; Y61-A98 HydrophobicContact CE2-CB 4.08Å; Y61-A98 HydrophobicContact CG-CB 4.25Å; A64-A98 HydrophobicContact CB-CB 4.16Å; H94-A98 HydrophobicContact CB-CB 4.23Å; T96-A98 PolarHBondContact O-N 3.36Å; T96-A98 VanDerWaalsContact O-N 3.17Å; T96-A98 WeakPolarHBondContact OG1-CB 3.45Å; A98-M475 WeakPolarHBondContact O-CE 3.12Å
99I95.4Very high94Very high4 Ų421.9 Ų21.92%0.02111%0.107CC..  trans-153.2143.8176.5-167.3160.5000110.5A64 M68 A71 Y93 H94 G97 F101 F454 M475A64-I99 HydrophobicContact CB-CB 4.09Å; A64-I99 HydrophobicContact CB-CG2 4.19Å; M68-I99 HydrophobicContact CE-CD1 4.35Å; M68-I99 HydrophobicContact CE-CG1 4.49Å; A71-I99 HydrophobicContact CB-CD1 4.04Å; A71-I99 HydrophobicContact CB-CG1 4.13Å; Y93-I99 WeakPolarHBondContact CA-O 3.28Å; H94-I99 HydrophobicContact CB-CG2 4.37Å; H94-I99 PolarHBondContact N-O 2.98Å; G97-I99 PolarHBondContact O-N 3.4Å; I99-F101 HydrophobicContact CD1-CE1 3.73Å; I99-F101 HydrophobicContact CD1-CE2 4.35Å; I99-F101 HydrophobicContact CD1-CZ 3.57Å; I99-F101 HydrophobicContact CG1-CE1 4.14Å; I99-F101 HydrophobicContact CG1-CE2 4.25Å; I99-F101 HydrophobicContact CG1-CZ 3.92Å; I99-F101 HydrophobicContact CG2-CD2 4.37Å; I99-F101 HydrophobicContact CG2-CE2 3.61Å; I99-F101 HydrophobicContact CG2-CZ 3.88Å; I99-F454 HydrophobicContact CG2-CE1 4.09Å; I99-F454 HydrophobicContact CG2-CZ 4.3Å; I99-M475 HydrophobicContact CB-CE 4.28Å
100T96.7Very high94Very high0 Ų023.1 Ų23.10%011%0.113CC..EExtended strand (participates in β ladder)trans-118.6127.2176.5-58.50000109.6V91 V464 Q467 Q471V91-T100 HydrophobicContact CB-CG2 4.49Å; V91-T100 HydrophobicContact CG1-CG2 3.11Å; T100-V464 HydrophobicContact CG2-CG1 3.86Å; T100-Q467 PolarHBondContact OG1-OE1 3.19Å; T100-Q467 VanDerWaalsContact OG1-OE1 3.13Å; T100-Q471 PolarHBondContact OG1-NE2 2.9Å
101F96.2Very high94Very high1 Ų118.4 Ų18.40%0.0049%0.092CC..EExtended strand (participates in β ladder)trans-114.5136.2177.4-60.9-75.9000111.2H70 A71 V91 L92 I99 N103 F445 F448 F454H70-F101 HydrophobicContact CB-CE1 4.24Å; A71-F101 HydrophobicContact CB-CD1 3.74Å; A71-F101 HydrophobicContact CB-CE1 3.89Å; V91-F101 CarbonylContact C-O 3.58Å; V91-F101 VanDerWaalsContact CA-O 3.31Å; V91-F101 WeakPolarHBondContact CA-O 3.36Å; L92-F101 HydrophobicContact CB-CB 4.43Å; L92-F101 PolarHBondContact N-O 2.8Å; L92-F101 PolarHBondContact O-N 3.16Å; I99-F101 HydrophobicContact CD1-CE1 3.73Å; I99-F101 HydrophobicContact CD1-CE2 4.35Å; I99-F101 HydrophobicContact CD1-CZ 3.57Å; I99-F101 HydrophobicContact CG1-CE1 4.14Å; I99-F101 HydrophobicContact CG1-CE2 4.25Å; I99-F101 HydrophobicContact CG1-CZ 3.92Å; I99-F101 HydrophobicContact CG2-CD2 4.37Å; I99-F101 HydrophobicContact CG2-CE2 3.61Å; I99-F101 HydrophobicContact CG2-CZ 3.88Å; F101-N103 PolarHBondContact O-N 2.73Å; F101-F445 HydrophobicContact CB-CE1 4.12Å; F101-F445 HydrophobicContact CB-CE2 4.2Å; F101-F445 HydrophobicContact CB-CZ 3.82Å; F101-F445 AromaticContact CD1-CE1 3.68Å; F101-F445 HydrophobicContact CD1-CE1 3.68Å; F101-F445 AromaticContact CD1-CZ 3.71Å; F101-F445 HydrophobicContact CD1-CZ 3.71Å; F101-F445 HydrophobicContact CD2-CE1 4.31Å; F101-F445 HydrophobicContact CE1-CE1 4.14Å; F101-F445 AromaticContact CG-CE1 3.8Å; F101-F445 HydrophobicContact CG-CE1 3.8Å; F101-F445 AromaticContact CG-CZ 3.9Å; F101-F445 HydrophobicContact CG-CZ 3.9Å; F101-F448 AromaticContact CE2-CD2 3.98Å; F101-F448 HydrophobicContact CE2-CD2 3.98Å; F101-F448 AromaticContact CE2-CE2 3.97Å; F101-F448 HydrophobicContact CE2-CE2 3.97Å; F101-F448 HydrophobicContact CZ-CE2 4.07Å; F101-F454 AromaticContact CD2-CE1 3.97Å; F101-F454 HydrophobicContact CD2-CE1 3.97Å; F101-F454 AromaticContact CE2-CE1 3.67Å; F101-F454 HydrophobicContact CE2-CE1 3.67Å; F101-F454 HydrophobicContact CE2-CZ 4.05Å
102V95.8Very high94Very high1 Ų118.5 Ų18.51%0.0069%0.093CC..EExtended strand (participates in β ladder)trans-76.6116.6166.2-179.20000109.8K74 L75 N78 V89 E104 F445 V464K74-V102 HydrophobicContact CB-CB 4.15Å; K74-V102 WeakPolarHBondContact CB-O 3.12Å; K74-V102 WeakPolarHBondContact CE-O 3.47Å; L75-V102 HydrophobicContact CD1-CG2 4.33Å; N78-V102 HydrophobicContact CB-CG1 4.15Å; N78-V102 VanDerWaalsContact ND2-CG1 3.32Å; N78-V102 WeakPolarHBondContact ND2-CG1 3.42Å; V89-V102 HydrophobicContact CB-CG1 3.78Å; V89-V102 HydrophobicContact CG1-CG1 4.24Å; V89-V102 HydrophobicContact CG2-CG1 3.95Å; V89-V102 HydrophobicContact CG2-CG2 3.98Å; V102-E104 VanDerWaalsContact C-N 3.35Å; V102-E104 HydrophobicContact CG1-CB 4.21Å; V102-E104 PolarHBondContact O-N 2.98Å; V102-F445 WeakPolarHBondContact O-CE2 3.34Å; V102-V464 HydrophobicContact CG2-CG1 3.81Å
103N93.9Very high94Very high53 Ų5318.7 Ų18.728%0.2839%0.094SC..  trans-97.342.6-175.6-168.130.1000112.6K90 L92 F101K90-N103 PolarHBondContact O-N 3.24Å; L92-N103 HydrophobicContact CB-CB 4.26Å; F101-N103 PolarHBondContact O-N 2.73Å
104E90.5Very high94Very high43 Ų4319.1 Ų19.120%0.20110%0.097CC..  trans-136.4155-177.1-162.8170.8163.600112.4K74 N78 K90 V102 R183K74-E104 VanDerWaalsContact CE-O 3.25Å; K74-E104 WeakPolarHBondContact CE-O 3.48Å; K74-E104 PolarHBondContact NZ-O 2.59Å; N78-E104 PolarHBondContact ND2-O 2.65Å; N78-E104 VanDerWaalsContact ND2-O 3.08Å; K90-E104 PolarHBondContact N-OE2 3.48Å; V102-E104 VanDerWaalsContact C-N 3.35Å; V102-E104 HydrophobicContact CG1-CB 4.21Å; V102-E104 PolarHBondContact O-N 2.98Å; E104-R183 IonicContact OE1-CZ 2.77Å; E104-R183 IonicContact OE1-NH2 2.74Å; E104-R183 PolarHBondContact OE1-NH2 3.48Å; E104-R183 IonicContact OE2-NH2 2.79Å; E104-R183 PolarHBondContact OE2-NH2 3.35Å
105I92.2Very high93.9Very high66 Ų6618.1 Ų18.134%0.3389%0.093SC..  trans-124.6129.2174.4-59.9172.9000107.3W107 R392I105-W107 HydrophobicContact CB-CZ2 4.36Å; I105-W107 HydrophobicContact CD1-CZ2 4.38Å; I105-W107 HydrophobicContact CG2-CD2 4.49Å; I105-W107 HydrophobicContact CG2-CZ2 3.67Å; I105-W107 PolarHBondContact O-N 2.85Å; I105-R392 VanDerWaalsContact CG2-CD 3.46Å; I105-R392 HydrophobicContact CG2-CG 3.72Å
106P91.9Very high94Very high11 Ų1115.5 Ų15.57%0.0718%0.079CC..  trans-79.890.1-173.833.2-37.9000111.1E77 N78 R392 A393E77-P106 HydrophobicContact CG-CG 3.83Å; E77-P106 WeakPolarHBondContact O-CG 3.4Å; N78-P106 WeakPolarHBondContact OD1-CD 3.38Å; P106-R392 VanDerWaalsContact O-CA 3.29Å; P106-R392 WeakPolarHBondContact O-CA 3.3Å; P106-A393 HydrophobicContact CB-CB 4.4Å; P106-A393 HydrophobicContact CG-CB 4.36Å; P106-A393 PolarHBondContact O-N 3.19Å; P106-A393 VanDerWaalsContact O-N 3.09Å
107W94.1Very high94.2Very high53 Ų5314.6 Ų14.620%0.2017%0.074CC..EExtended strand (participates in β ladder)trans-80.8131.9173.7-62.7100.2000109.9I105 Y197 R392I105-W107 HydrophobicContact CB-CZ2 4.36Å; I105-W107 HydrophobicContact CD1-CZ2 4.38Å; I105-W107 HydrophobicContact CG2-CD2 4.49Å; I105-W107 HydrophobicContact CG2-CZ2 3.67Å; I105-W107 PolarHBondContact O-N 2.85Å; W107-Y197 HydrophobicContact CB-CD1 3.99Å; W107-Y197 WeakPolarHBondContact CB-O 3.45Å; W107-Y197 VanDerWaalsContact O-CD1 3.31Å; W107-Y197 WeakPolarHBondContact O-CD1 3.41Å; W107-Y197 WeakPolarHBondContact O-CE1 3.25Å; W107-R392 HydrophobicContact CD2-CG 4.49Å; W107-R392 HydrophobicContact CE3-CG 4.12Å; W107-R392 HydrophobicContact CH2-CG 3.69Å; W107-R392 HydrophobicContact CZ2-CG 4.07Å; W107-R392 HydrophobicContact CZ3-CG 3.74Å
108V93.7Very high94.2Very high20 Ų2014.6 Ų14.612%0.1217%0.074CC..EExtended strand (participates in β ladder)trans-135.6148-179.8-61.50000110.4Y113 T390 R391 A393 I396V108-Y113 HydrophobicContact CB-CD2 4.08Å; V108-Y113 HydrophobicContact CB-CG 4.27Å; V108-Y113 HydrophobicContact CG1-CD2 3.97Å; V108-Y113 HydrophobicContact CG1-CE2 4.38Å; V108-Y113 HydrophobicContact CG2-CD1 4.45Å; V108-Y113 HydrophobicContact CG2-CD2 4.03Å; V108-Y113 HydrophobicContact CG2-CG 3.92Å; V108-T390 WeakPolarHBondContact O-CA 3.21Å; V108-T390 WeakPolarHBondContact O-CB 3.44Å; V108-R391 WeakPolarHBondContact CG2-O 3.5Å; V108-R391 PolarHBondContact N-O 2.65Å; V108-R391 PolarHBondContact O-N 3.41Å; V108-A393 HydrophobicContact CG1-CB 4.31Å; V108-A393 HydrophobicContact CG2-CB 4.29Å; V108-I396 HydrophobicContact CG2-CD1 3.47Å; V108-I396 VanDerWaalsContact CG2-CD1 3.47Å
109V94.5Very high94.3Very high5 Ų514.6 Ų14.63%0.037%0.074CC..  trans-78120.7171.2173.20000107.8P111 V112 Y113 Y197 W200 L202 T390V109-P111 HydrophobicContact CG1-CG 3.87Å; V109-V112 HydrophobicContact CB-CB 4.1Å; V109-V112 HydrophobicContact CB-CG2 4.02Å; V109-V112 HydrophobicContact CG1-CB 4.15Å; V109-V112 HydrophobicContact CG1-CG2 3.68Å; V109-V112 PolarHBondContact O-N 2.69Å; V109-Y113 WeakPolarHBondContact O-CB 3.42Å; V109-Y113 PolarHBondContact O-N 2.97Å; V109-Y197 HydrophobicContact CG2-CE1 4.27Å; V109-Y197 HydrophobicContact CG2-CE2 4.39Å; V109-Y197 WeakPolarHBondContact CG2-OH 3.3Å; V109-W200 HydrophobicContact CB-CG 4.43Å; V109-W200 HydrophobicContact CG1-CB 4.2Å; V109-W200 HydrophobicContact CG1-CD2 3.82Å; V109-W200 HydrophobicContact CG1-CE3 4.36Å; V109-W200 HydrophobicContact CG1-CG 3.74Å; V109-W200 HydrophobicContact CG2-CB 3.82Å; V109-W200 HydrophobicContact CG2-CG 3.98Å; V109-L202 HydrophobicContact CG1-CD1 4.39Å; V109-T390 HydrophobicContact CG2-CG2 3.95Å
110E93.8Very high94.3Very high27 Ų2714.4 Ų14.413%0.1267%0.073CC..Hα-helixtrans-58.6-47.4-169.8-165.2170-158.100114.7A114 P382 R391 I396E110-A114 WeakPolarHBondContact O-CB 3.34Å; E110-A114 PolarHBondContact O-N 2.74Å; E110-P382 HydrophobicContact CB-CB 4.14Å; E110-P382 HydrophobicContact CB-CG 4.26Å; E110-P382 HydrophobicContact CG-CB 4.01Å; E110-P382 HydrophobicContact CG-CG 3.9Å; E110-R391 IonicContact OE1-CZ 3.62Å; E110-R391 IonicContact OE1-NH1 2.82Å; E110-R391 PolarHBondContact OE1-NH1 2.89Å; E110-R391 WeakPolarHBondContact OE2-CD 3.18Å; E110-R391 IonicContact OE2-NH1 3.58Å; E110-I396 HydrophobicContact CB-CD1 4.2Å; E110-I396 HydrophobicContact CG-CD1 3.94Å; E110-I396 HydrophobicContact CG-CG1 4.08Å; E110-I396 HydrophobicContact CG-CG2 4.29Å
111P94.4Very high94.2Very high0 Ų014.7 Ų14.70%07%0.074CC..Hα-helixtrans-65.2-42.117723.8-32.8000112.4V109 Y113 A114 A115 W200 L202 M207 L210 P382 F383V109-P111 HydrophobicContact CG1-CG 3.87Å; P111-Y113 PolarHBondContact O-N 3.26Å; P111-A114 PolarHBondContact O-N 2.88Å; P111-A115 WeakPolarHBondContact O-CB 3.26Å; P111-A115 PolarHBondContact O-N 2.9Å; P111-W200 HydrophobicContact CG-CH2 3.74Å; P111-W200 HydrophobicContact CG-CZ2 3.99Å; P111-W200 HydrophobicContact CG-CZ3 4.08Å; P111-L202 HydrophobicContact CG-CD1 4.3Å; P111-M207 HydrophobicContact CB-CE 4.18Å; P111-M207 HydrophobicContact CB-SD 4.24Å; P111-M207 HydrophobicContact CG-CE 4.35Å; P111-M207 HydrophobicContact CG-SD 4.1Å; P111-L210 HydrophobicContact CB-CD1 4.28Å; P111-P382 HydrophobicContact CB-CG 4.08Å; P111-F383 HydrophobicContact CB-CD1 4.06Å; P111-F383 HydrophobicContact CB-CE1 3.74Å; P111-F383 HydrophobicContact CB-CZ 4.29Å
112V95Very high94.1Very high3 Ų317.1 Ų17.12%0.0189%0.086CC..Hα-helixtrans-61.1-46.9177.1179.30000111V109 A114 A115 Q116 W179 F180 P185 L202 L210V109-V112 HydrophobicContact CB-CB 4.1Å; V109-V112 HydrophobicContact CB-CG2 4.02Å; V109-V112 HydrophobicContact CG1-CB 4.15Å; V109-V112 HydrophobicContact CG1-CG2 3.68Å; V109-V112 PolarHBondContact O-N 2.69Å; V112-A114 VanDerWaalsContact C-N 3.34Å; V112-A114 PolarHBondContact O-N 3.49Å; V112-A115 PolarHBondContact O-N 3.13Å; V112-Q116 HydrophobicContact CG1-CG 4.27Å; V112-Q116 WeakPolarHBondContact O-CB 3.42Å; V112-Q116 VanDerWaalsContact O-CG 3.3Å; V112-Q116 WeakPolarHBondContact O-CG 3.31Å; V112-Q116 PolarHBondContact O-N 3.25Å; V112-W179 HydrophobicContact CG1-CZ3 4.24Å; V112-W179 HydrophobicContact CG2-CH2 4.4Å; V112-W179 HydrophobicContact CG2-CZ3 3.97Å; V112-F180 HydrophobicContact CG1-CD2 4.48Å; V112-P185 HydrophobicContact CG1-CB 4.46Å; V112-P185 HydrophobicContact CG1-CG 4.06Å; V112-L202 HydrophobicContact CG2-CD1 4.46Å; V112-L210 HydrophobicContact CG2-CD1 3.7Å; V112-L210 HydrophobicContact CG2-CD2 4.34Å
113Y94.3Very high94Very high3 Ų318.9 Ų18.91%0.01210%0.095CC..Hα-helixtrans-64.9-36179.5-173.7-101000112.9M81 W83 V108 V109 P111 W117 A393 I396 L398M81-Y113 HydrophobicContact CE-CE2 4.49Å; M81-Y113 HydrophobicContact SD-CE2 4.12Å; W83-Y113 HydrophobicContact CH2-CD2 4.04Å; W83-Y113 AromaticContact CH2-CE2 3.87Å; W83-Y113 HydrophobicContact CH2-CE2 3.87Å; W83-Y113 HydrophobicContact CZ2-CD2 4.22Å; W83-Y113 HydrophobicContact CZ2-CE2 4.22Å; V108-Y113 HydrophobicContact CB-CD2 4.08Å; V108-Y113 HydrophobicContact CB-CG 4.27Å; V108-Y113 HydrophobicContact CG1-CD2 3.97Å; V108-Y113 HydrophobicContact CG1-CE2 4.38Å; V108-Y113 HydrophobicContact CG2-CD1 4.45Å; V108-Y113 HydrophobicContact CG2-CD2 4.03Å; V108-Y113 HydrophobicContact CG2-CG 3.92Å; V109-Y113 WeakPolarHBondContact O-CB 3.42Å; V109-Y113 PolarHBondContact O-N 2.97Å; P111-Y113 PolarHBondContact O-N 3.26Å; Y113-W117 AromaticContact CD1-CD1 3.9Å; Y113-W117 AromaticContact CE1-CD1 3.5Å; Y113-W117 AromaticContact CE1-NE1 3.57Å; Y113-W117 AromaticContact CE2-CD1 3.78Å; Y113-W117 AromaticContact CE2-NE1 3.41Å; Y113-W117 AromaticContact CZ-CD1 3.45Å; Y113-W117 VanDerWaalsContact CZ-CD1 3.45Å; Y113-W117 AromaticContact CZ-NE1 3.03Å; Y113-W117 PolarHBondContact O-N 2.88Å; Y113-W117 VanDerWaalsContact O-N 3.15Å; Y113-W117 PolarHBondContact OH-NE1 2.83Å; Y113-A393 HydrophobicContact CE2-CB 4.19Å; Y113-I396 HydrophobicContact CD1-CB 4.32Å; Y113-I396 HydrophobicContact CD1-CD1 3.77Å; Y113-I396 HydrophobicContact CD1-CG2 4.17Å; Y113-I396 HydrophobicContact CE1-CB 4.43Å; Y113-I396 HydrophobicContact CE1-CD1 4.46Å; Y113-I396 HydrophobicContact CG-CD1 4.23Å; Y113-L398 HydrophobicContact CD1-CD2 4.33Å; Y113-L398 HydrophobicContact CE1-CD2 4.29Å
114A94Very high94Very high10 Ų1016.6 Ų16.68%0.0838%0.082CC..Hα-helixtrans-67.4-43.2174.900000111.4E110 P111 V112 W117 G118 F383E110-A114 WeakPolarHBondContact O-CB 3.34Å; E110-A114 PolarHBondContact O-N 2.74Å; P111-A114 PolarHBondContact O-N 2.88Å; V112-A114 VanDerWaalsContact C-N 3.34Å; V112-A114 PolarHBondContact O-N 3.49Å; A114-W117 PolarHBondContact O-N 2.99Å; A114-G118 PolarHBondContact O-N 3.33Å; A114-F383 HydrophobicContact CB-CE2 4.39Å; A114-F383 HydrophobicContact CB-CZ 4.01Å
115A94.3Very high94.2Very high0 Ų018.1 Ų18.10%09%0.087CC..Hα-helixtrans-64.2-43.517500000112.1P111 V112 W117 G118 S119 F180 L210 L213 A214P111-A115 WeakPolarHBondContact O-CB 3.26Å; P111-A115 PolarHBondContact O-N 2.9Å; V112-A115 PolarHBondContact O-N 3.13Å; A115-W117 PolarHBondContact O-N 2.99Å; A115-G118 CarbonylContact O-C 3.4Å; A115-G118 WeakPolarHBondContact O-CA 3.4Å; A115-G118 PolarHBondContact O-N 2.96Å; A115-S119 PolarHBondContact O-N 3.14Å; A115-F180 VanDerWaalsContact C-CZ 3.5Å; A115-F180 HydrophobicContact CB-CE2 3.71Å; A115-F180 HydrophobicContact CB-CZ 3.85Å; A115-L210 HydrophobicContact CB-CB 4.21Å; A115-L210 HydrophobicContact CB-CD2 3.75Å; A115-L210 WeakPolarHBondContact CB-O 3.44Å; A115-L213 HydrophobicContact CB-CB 4.24Å; A115-A214 HydrophobicContact CB-CB 4.4Å
116Q95.3Very high94.2Very high7 Ų721.1 Ų21.13%0.0339%0.094CC..Hα-helixtrans-56-51175.4-76.2171-25.700110.7W83 V112 G118 S119 M120 F180W83-Q116 HydrophobicContact CD2-CB 4.39Å; W83-Q116 HydrophobicContact CE3-CB 4.19Å; W83-Q116 HydrophobicContact CH2-CB 3.77Å; W83-Q116 HydrophobicContact CZ2-CB 4.01Å; W83-Q116 HydrophobicContact CZ2-CG 4.34Å; W83-Q116 HydrophobicContact CZ3-CB 3.88Å; V112-Q116 HydrophobicContact CG1-CG 4.27Å; V112-Q116 WeakPolarHBondContact O-CB 3.42Å; V112-Q116 VanDerWaalsContact O-CG 3.3Å; V112-Q116 WeakPolarHBondContact O-CG 3.31Å; V112-Q116 PolarHBondContact O-N 3.25Å; Q116-G118 VanDerWaalsContact C-N 3.28Å; Q116-G118 PolarHBondContact O-N 3.31Å; Q116-S119 PolarHBondContact O-N 3.07Å; Q116-S119 PolarHBondContact O-OG 3.4Å; Q116-M120 WeakPolarHBondContact O-CG 3.37Å; Q116-M120 PolarHBondContact O-N 2.81Å; Q116-F180 HydrophobicContact CB-CZ 4.32Å; Q116-F180 HydrophobicContact CG-CD2 4.44Å; Q116-F180 HydrophobicContact CG-CE1 4.13Å; Q116-F180 HydrophobicContact CG-CE2 4.01Å; Q116-F180 HydrophobicContact CG-CZ 3.87Å; Q116-F180 PolarHBondContact NE2-O 3.08Å
117W95.9Very high94.2Very high0 Ų022.8 Ų22.80%010%0.1CC..Hα-helixtrans-66.8-26.6175.1-82.8100.3000113.8M81 P82 W83 Y113 A114 A115 M120 W121 L217 L398 F601 W602 A603M81-W117 HydrophobicContact SD-CZ2 4.09Å; P82-W117 HydrophobicContact CG-CH2 3.7Å; P82-W117 HydrophobicContact CG-CZ2 4.26Å; P82-W117 HydrophobicContact CG-CZ3 4.16Å; W83-W117 AromaticContact CH2-CD1 3.68Å; W83-W117 HydrophobicContact CH2-CG 4.37Å; W83-W117 AromaticContact CH2-NE1 3.44Å; W83-W117 AromaticContact CZ3-CD1 3.87Å; W83-W117 HydrophobicContact CZ3-CD2 4.09Å; W83-W117 AromaticContact CZ3-CE2 3.84Å; W83-W117 HydrophobicContact CZ3-CG 4.13Å; W83-W117 HydrophobicContact CZ3-CZ2 4.37Å; W83-W117 AromaticContact CZ3-NE1 3.69Å; Y113-W117 AromaticContact CD1-CD1 3.9Å; Y113-W117 AromaticContact CE1-CD1 3.5Å; Y113-W117 AromaticContact CE1-NE1 3.57Å; Y113-W117 AromaticContact CE2-CD1 3.78Å; Y113-W117 AromaticContact CE2-NE1 3.41Å; Y113-W117 AromaticContact CZ-CD1 3.45Å; Y113-W117 VanDerWaalsContact CZ-CD1 3.45Å; Y113-W117 AromaticContact CZ-NE1 3.03Å; Y113-W117 PolarHBondContact O-N 2.88Å; Y113-W117 VanDerWaalsContact O-N 3.15Å; Y113-W117 PolarHBondContact OH-NE1 2.83Å; A114-W117 PolarHBondContact O-N 2.99Å; A115-W117 PolarHBondContact O-N 2.99Å; W117-M120 HydrophobicContact CE3-CB 4.22Å; W117-M120 HydrophobicContact CE3-CG 4.46Å; W117-M120 PolarHBondContact O-N 2.68Å; W117-W121 WeakPolarHBondContact O-CB 3.3Å; W117-W121 PolarHBondContact O-N 3.36Å; W117-L217 HydrophobicContact CB-CD1 3.87Å; W117-L398 HydrophobicContact CB-CD1 3.8Å; W117-L398 HydrophobicContact CB-CD2 4.31Å; W117-L398 HydrophobicContact CD2-CD1 3.83Å; W117-L398 HydrophobicContact CG-CD1 3.47Å; W117-L398 VanDerWaalsContact CG-CD1 3.47Å; W117-L398 HydrophobicContact CG-CD2 4.5Å; W117-F601 HydrophobicContact CB-CE2 4.33Å; W117-F601 HydrophobicContact CD2-CE2 4.21Å; W117-F601 AromaticContact CE3-CD2 3.61Å; W117-F601 HydrophobicContact CE3-CD2 3.61Å; W117-F601 AromaticContact CE3-CE2 3.52Å; W117-F601 HydrophobicContact CE3-CE2 3.52Å; W117-F601 HydrophobicContact CE3-CZ 4.47Å; W117-F601 AromaticContact CZ3-CD2 3.9Å; W117-F601 HydrophobicContact CZ3-CD2 3.9Å; W117-F601 HydrophobicContact CZ3-CE2 4.23Å; W117-W602 AromaticContact CH2-CD2 3.99Å; W117-W602 HydrophobicContact CH2-CD2 3.99Å; W117-W602 AromaticContact CH2-CE2 3.74Å; W117-W602 HydrophobicContact CH2-CE3 4.43Å; W117-W602 HydrophobicContact CH2-CG 4.4Å; W117-W602 HydrophobicContact CH2-CH2 4.42Å; W117-W602 HydrophobicContact CH2-CZ2 4Å; W117-W602 AromaticContact CH2-NE1 3.99Å; W117-W602 HydrophobicContact CZ2-CH2 4.16Å; W117-W602 HydrophobicContact CZ2-CZ2 4.1Å; W117-W602 HydrophobicContact CZ2-CZ3 4.41Å; W117-A603 HydrophobicContact CD2-CB 4.41Å; W117-A603 HydrophobicContact CH2-CB 3.95Å; W117-A603 HydrophobicContact CZ2-CB 3.66Å; W117-A603 HydrophobicContact CZ3-CB 4.45Å
118G94Very high94.1Very high0 Ų021.3 Ų21.30%010%0.095CC..Hα-helixtrans-64.6-46.1170.800000111.8A114 A115 Q116 M120 W121 I122 S216A114-G118 PolarHBondContact O-N 3.33Å; A115-G118 CarbonylContact O-C 3.4Å; A115-G118 WeakPolarHBondContact O-CA 3.4Å; A115-G118 PolarHBondContact O-N 2.96Å; Q116-G118 VanDerWaalsContact C-N 3.28Å; Q116-G118 PolarHBondContact O-N 3.31Å; G118-M120 VanDerWaalsContact C-N 3.35Å; G118-M120 PolarHBondContact O-N 3.24Å; G118-W121 WeakPolarHBondContact O-CB 3.48Å; G118-W121 PolarHBondContact O-N 3.49Å; G118-I122 WeakPolarHBondContact O-CG1 3.38Å; G118-I122 PolarHBondContact O-N 2.85Å; G118-I122 VanDerWaalsContact O-N 3.16Å; G118-S216 PolarHBondContact O-OG 3.29Å
119S94.7Very high94Very high0 Ų026.3 Ų26.30%011%0.112CC..Hα-helixtrans-62.2-40.817376.40000111.8A115 Q116 W121 I122 M123 Y181A115-S119 PolarHBondContact O-N 3.14Å; Q116-S119 PolarHBondContact O-N 3.07Å; Q116-S119 PolarHBondContact O-OG 3.4Å; S119-W121 VanDerWaalsContact C-N 3.3Å; S119-W121 PolarHBondContact O-N 2.83Å; S119-I122 PolarHBondContact O-N 3.02Å; S119-M123 PolarHBondContact O-N 2.89Å; S119-Y181 VanDerWaalsContact CB-OH 3.28Å; S119-Y181 WeakPolarHBondContact CB-OH 3.42Å; S119-Y181 PolarHBondContact OG-OH 2.76Å
120M94.6Very high93.8Very high0 Ų030.6 Ų30.60%014%0.135CC..Hα-helixtrans-61.3-40.2175.6-67.2-55.696.100111.8P82 W83 Q116 W117 G118 I122 M124 I164 Y181P82-M120 HydrophobicContact CB-SD 4.06Å; W83-M120 HydrophobicContact CB-CE 4.3Å; W83-M120 HydrophobicContact CB-SD 4.44Å; W83-M120 HydrophobicContact CE3-CG 3.67Å; W83-M120 HydrophobicContact CE3-SD 4.01Å; W83-M120 HydrophobicContact CZ3-CG 3.96Å; Q116-M120 WeakPolarHBondContact O-CG 3.37Å; Q116-M120 PolarHBondContact O-N 2.81Å; W117-M120 HydrophobicContact CE3-CB 4.22Å; W117-M120 HydrophobicContact CE3-CG 4.46Å; W117-M120 PolarHBondContact O-N 2.68Å; G118-M120 VanDerWaalsContact C-N 3.35Å; G118-M120 PolarHBondContact O-N 3.24Å; M120-I122 VanDerWaalsContact C-N 3.33Å; M120-I122 PolarHBondContact O-N 3.37Å; M120-M124 HydrophobicContact CB-CE 4.11Å; M120-M124 VanDerWaalsContact O-CB 3.31Å; M120-M124 WeakPolarHBondContact O-CB 3.35Å; M120-M124 WeakPolarHBondContact O-CG 3.46Å; M120-M124 PolarHBondContact O-N 2.97Å; M120-I164 HydrophobicContact CE-CB 4.25Å; M120-I164 HydrophobicContact CE-CG2 3.87Å; M120-I164 WeakPolarHBondContact CE-O 3.43Å; M120-I164 HydrophobicContact SD-CB 3.61Å; M120-I164 HydrophobicContact SD-CG2 3.51Å; M120-I164 VanDerWaalsContact SD-CG2 3.51Å; M120-Y181 HydrophobicContact CE-CE1 3.83Å
121W94.6Very high93.5Very high6 Ų632.5 Ų32.52%0.02314%0.141CC..Hα-helixtrans-61.5-42.7176.9179.8-88.2000111.8W117 G118 S119 R125 L217 W402 I584 R587 F588 F601W117-W121 WeakPolarHBondContact O-CB 3.3Å; W117-W121 PolarHBondContact O-N 3.36Å; G118-W121 WeakPolarHBondContact O-CB 3.48Å; G118-W121 PolarHBondContact O-N 3.49Å; S119-W121 VanDerWaalsContact C-N 3.3Å; S119-W121 PolarHBondContact O-N 2.83Å; W121-R125 VanDerWaalsContact NE1-CD 3.3Å; W121-R125 WeakPolarHBondContact O-CB 3.46Å; W121-R125 VanDerWaalsContact O-CG 3.3Å; W121-R125 WeakPolarHBondContact O-CG 3.47Å; W121-R125 PolarHBondContact O-N 3.17Å; W121-L217 HydrophobicContact CB-CD2 4.32Å; W121-L217 HydrophobicContact CD2-CD2 4.21Å; W121-L217 HydrophobicContact CE3-CD2 4.17Å; W121-L217 HydrophobicContact CG-CD2 4.29Å; W121-W402 HydrophobicContact CE3-CH2 4.37Å; W121-W402 AromaticContact CH2-CH2 3.71Å; W121-W402 HydrophobicContact CH2-CH2 3.71Å; W121-W402 HydrophobicContact CH2-CZ3 4.3Å; W121-W402 HydrophobicContact CZ2-CH2 4.44Å; W121-W402 AromaticContact CZ3-CH2 3.67Å; W121-W402 HydrophobicContact CZ3-CH2 3.67Å; W121-W402 HydrophobicContact CZ3-CZ3 4.38Å; W121-I584 HydrophobicContact CZ3-CG2 4.17Å; W121-R587 HydrophobicContact CH2-CB 4.2Å; W121-R587 HydrophobicContact CH2-CG 4.19Å; W121-R587 HydrophobicContact CZ2-CB 4.37Å; W121-R587 HydrophobicContact CZ2-CG 4.01Å; W121-F588 AromaticContact CD2-CD2 3.96Å; W121-F588 HydrophobicContact CD2-CD2 3.96Å; W121-F588 HydrophobicContact CD2-CE2 4.41Å; W121-F588 AromaticContact CE3-CD2 3.75Å; W121-F588 HydrophobicContact CE3-CD2 3.75Å; W121-F588 HydrophobicContact CE3-CE2 4.32Å; W121-F588 HydrophobicContact CH2-CB 3.58Å; W121-F588 AromaticContact CH2-CD2 3.75Å; W121-F588 HydrophobicContact CH2-CD2 3.75Å; W121-F588 HydrophobicContact CH2-CG 4.16Å; W121-F588 HydrophobicContact CZ2-CB 3.92Å; W121-F588 AromaticContact CZ2-CD2 3.95Å; W121-F588 HydrophobicContact CZ2-CD2 3.95Å; W121-F588 HydrophobicContact CZ2-CG 4.34Å; W121-F588 HydrophobicContact CZ3-CB 4.2Å; W121-F588 AromaticContact CZ3-CD2 3.65Å; W121-F588 HydrophobicContact CZ3-CD2 3.65Å; W121-F588 HydrophobicContact CZ3-CG 4.43Å; W121-F601 AromaticContact CE3-CD2 3.89Å; W121-F601 HydrophobicContact CE3-CD2 3.89Å; W121-F601 HydrophobicContact CE3-CE2 4.18Å; W121-F601 HydrophobicContact CE3-CG 4.1Å; W121-F601 HydrophobicContact CZ3-CD1 4.37Å; W121-F601 HydrophobicContact CZ3-CD2 4.43Å; W121-F601 HydrophobicContact CZ3-CG 4.19Å
122I93.7Very high92.9Very high51 Ų5144.8 Ų44.826%0.26219%0.187SC..Hα-helixtrans-65.1-52.6178.3-64166.8000110.4G118 S119 M120 M124 R125 R126 L166G118-I122 WeakPolarHBondContact O-CG1 3.38Å; G118-I122 PolarHBondContact O-N 2.85Å; G118-I122 VanDerWaalsContact O-N 3.16Å; S119-I122 PolarHBondContact O-N 3.02Å; M120-I122 VanDerWaalsContact C-N 3.33Å; M120-I122 PolarHBondContact O-N 3.37Å; I122-M124 PolarHBondContact O-N 3.26Å; I122-R125 PolarHBondContact O-N 3.28Å; I122-R126 PolarHBondContact O-N 2.89Å; I122-L166 HydrophobicContact CG2-CD1 4.49Å
123M94Very high92.3Very high39 Ų3951.3 Ų51.319%0.19222%0.217CC..Hα-helixtrans-61.1-46-178.8-76.6-56.5-72.900112.6S119 R125 R126 E127 I164 Q165 L166 F544S119-M123 PolarHBondContact O-N 2.89Å; M123-R125 VanDerWaalsContact C-N 3.26Å; M123-R125 PolarHBondContact O-N 3.3Å; M123-R126 PolarHBondContact O-N 2.98Å; M123-E127 WeakPolarHBondContact O-CB 3.44Å; M123-E127 PolarHBondContact O-N 3.28Å; M123-I164 HydrophobicContact CB-CG2 3.88Å; M123-Q165 WeakPolarHBondContact CE-O 3.26Å; M123-L166 HydrophobicContact CG-CB 3.89Å; M123-L166 HydrophobicContact CG-CD1 3.85Å; M123-L166 HydrophobicContact CG-CG 4.48Å; M123-L166 HydrophobicContact SD-CB 4.36Å; M123-L166 HydrophobicContact SD-CD1 3.46Å; M123-L166 WeakPolarHBondContact SD-CD1 3.3Å; M123-F544 HydrophobicContact CB-CE1 4.41Å
124M94.7Very high91.8Very high4 Ų452.1 Ų52.12%0.0222%0.221CC..Hα-helixtrans-64-32.1178.9-65.6170.7-17700112.2P82 M120 I122 K128 I164 F544 A547 F588 G600P82-M124 HydrophobicContact CB-CE 4.33Å; P82-M124 HydrophobicContact CG-CE 4.47Å; M120-M124 HydrophobicContact CB-CE 4.11Å; M120-M124 VanDerWaalsContact O-CB 3.31Å; M120-M124 WeakPolarHBondContact O-CB 3.35Å; M120-M124 WeakPolarHBondContact O-CG 3.46Å; M120-M124 PolarHBondContact O-N 2.97Å; I122-M124 PolarHBondContact O-N 3.26Å; M124-K128 VanDerWaalsContact O-CB 3.29Å; M124-K128 WeakPolarHBondContact O-CB 3.05Å; M124-K128 PolarHBondContact O-N 3.31Å; M124-K128 VanDerWaalsContact O-N 3.09Å; M124-I164 HydrophobicContact CE-CD1 3.53Å; M124-I164 HydrophobicContact CG-CD1 4.35Å; M124-F544 HydrophobicContact CG-CD1 4.19Å; M124-F544 HydrophobicContact CG-CE1 4.38Å; M124-A547 HydrophobicContact CE-CB 3.82Å; M124-F588 VanDerWaalsContact C-CZ 3.49Å; M124-F588 HydrophobicContact CB-CE2 3.88Å; M124-F588 HydrophobicContact CB-CZ 3.6Å; M124-G600 VanDerWaalsContact SD-C 3.51Å; M124-G600 VanDerWaalsContact SD-CA 3.51Å
125R93.8Very high91.4Very high76 Ų7655.4 Ų55.429%0.28723%0.233SC..Hα-helixtrans-71.6-42175.6-76.8-17873.2-139.32.1111.7W121 I122 M123 R129 F588 T590 V593W121-R125 VanDerWaalsContact NE1-CD 3.3Å; W121-R125 WeakPolarHBondContact O-CB 3.46Å; W121-R125 VanDerWaalsContact O-CG 3.3Å; W121-R125 WeakPolarHBondContact O-CG 3.47Å; W121-R125 PolarHBondContact O-N 3.17Å; I122-R125 PolarHBondContact O-N 3.28Å; M123-R125 VanDerWaalsContact C-N 3.26Å; M123-R125 PolarHBondContact O-N 3.3Å; R125-R129 WeakPolarHBondContact O-CB 3.41Å; R125-R129 PolarHBondContact O-N 3.45Å; R125-F588 HydrophobicContact CB-CZ 4.29Å; R125-F588 HydrophobicContact CG-CD1 4Å; R125-F588 HydrophobicContact CG-CD2 3.79Å; R125-F588 HydrophobicContact CG-CE1 3.75Å; R125-F588 HydrophobicContact CG-CE2 3.53Å; R125-F588 HydrophobicContact CG-CG 4.04Å; R125-F588 HydrophobicContact CG-CZ 3.53Å; R125-F588 PolarHBondContact NE-O 3.49Å; R125-F588 VanDerWaalsContact NE-O 3.17Å; R125-T590 PolarHBondContact NH2-O 3.46Å; R125-V593 HydrophobicContact CB-CG2 4.24Å; R125-V593 WeakPolarHBondContact O-CG2 3.07Å
126R92.7Very high90.9Very high129 Ų12959.1 Ų59.149%0.48725%0.247SC..Hα-helixtrans-60.1-51.9173.8-72.7-178.6174.8-172-1.1110.4I122 M123 K128 R129 D130I122-R126 PolarHBondContact O-N 2.89Å; M123-R126 PolarHBondContact O-N 2.98Å; R126-K128 VanDerWaalsContact C-N 3.33Å; R126-K128 PolarHBondContact O-N 3.27Å; R126-R129 WeakPolarHBondContact O-CA 3.46Å; R126-R129 WeakPolarHBondContact O-CB 3.28Å; R126-R129 PolarHBondContact O-N 3.32Å; R126-D130 VanDerWaalsContact O-CG 3.3Å; R126-D130 PolarHBondContact O-N 3.13Å
127E92.3Very high90.5Very high46 Ų4659.4 Ų59.422%0.21525%0.249CC..Hα-helixtrans-57.7-44.3179.6-17560.4-157.400112.6M123 R129 D130 R131 F544M123-E127 WeakPolarHBondContact O-CB 3.44Å; M123-E127 PolarHBondContact O-N 3.28Å; E127-R129 VanDerWaalsContact C-N 3.3Å; E127-R129 PolarHBondContact O-N 3.02Å; E127-D130 PolarHBondContact O-N 3.15Å; E127-R131 WeakPolarHBondContact O-CB 3.28Å; E127-R131 PolarHBondContact O-N 3.4Å; E127-R131 IonicContact OE1-CZ 3.75Å; E127-R131 IonicContact OE1-NE 3.36Å; E127-R131 PolarHBondContact OE1-NE 3.21Å; E127-R131 IonicContact OE1-NH2 2.79Å; E127-R131 PolarHBondContact OE1-NH2 3.39Å; E127-F544 HydrophobicContact CB-CD1 3.88Å; E127-F544 HydrophobicContact CB-CE1 3.68Å; E127-F544 HydrophobicContact CB-CG 4.42Å; E127-F544 HydrophobicContact CB-CZ 4.05Å; E127-F544 HydrophobicContact CG-CB 4.4Å; E127-F544 HydrophobicContact CG-CD1 3.77Å; E127-F544 HydrophobicContact CG-CD2 3.96Å; E127-F544 HydrophobicContact CG-CE1 3.93Å; E127-F544 HydrophobicContact CG-CE2 4.11Å; E127-F544 HydrophobicContact CG-CG 3.79Å; E127-F544 HydrophobicContact CG-CZ 4.09Å
128K92.9Very high89.9Confident22 Ų2262.9 Ų62.910%0.09626%0.262CS..Hα-helixtrans-68.3-30178.6-174.7175.8170.9-175.30112.9M124 R126 F588 N589 V593 G594 G596 P597 V599M124-K128 VanDerWaalsContact O-CB 3.29Å; M124-K128 WeakPolarHBondContact O-CB 3.05Å; M124-K128 PolarHBondContact O-N 3.31Å; M124-K128 VanDerWaalsContact O-N 3.09Å; R126-K128 VanDerWaalsContact C-N 3.33Å; R126-K128 PolarHBondContact O-N 3.27Å; K128-F588 HydrophobicContact CB-CE1 4.42Å; K128-F588 HydrophobicContact CD-CD1 4.47Å; K128-F588 HydrophobicContact CD-CE1 3.89Å; K128-N589 PolarHBondContact NZ-OD1 3.26Å; K128-V593 HydrophobicContact CB-CG1 4.26Å; K128-V593 HydrophobicContact CD-CG1 3.6Å; K128-V593 HydrophobicContact CG-CG1 3.9Å; K128-G594 VanDerWaalsContact CE-O 3.24Å; K128-G594 WeakPolarHBondContact CE-O 3.48Å; K128-G594 PolarHBondContact NZ-O 3.35Å; K128-G596 PolarHBondContact NZ-O 3.41Å; K128-P597 WeakPolarHBondContact CD-O 3.34Å; K128-P597 WeakPolarHBondContact CE-O 3.37Å; K128-V599 HydrophobicContact CD-CG2 4.44Å
129R90Very high89.5Confident124 Ų12464.8 Ų64.847%0.46827%0.27SS..Hα-helixtrans-70.2-44.3174.4178.7-164.366.3-172.3-3.7110.4R125 R126 E127 P592 V593R125-R129 WeakPolarHBondContact O-CB 3.41Å; R125-R129 PolarHBondContact O-N 3.45Å; R126-R129 WeakPolarHBondContact O-CA 3.46Å; R126-R129 WeakPolarHBondContact O-CB 3.28Å; R126-R129 PolarHBondContact O-N 3.32Å; E127-R129 VanDerWaalsContact C-N 3.3Å; E127-R129 PolarHBondContact O-N 3.02Å; R129-P592 HydrophobicContact CG-CB 4.22Å; R129-P592 HydrophobicContact CG-CG 4.39Å; R129-V593 HydrophobicContact CB-CG2 4.28Å
130D91Very high89.1Confident95 Ų9567 Ų6751%0.50828%0.284SS..Hα-helixtrans-85.7-32.8-168.4-60.9-24.7000112.5R126 E127 R132R126-D130 VanDerWaalsContact O-CG 3.3Å; R126-D130 PolarHBondContact O-N 3.13Å; E127-D130 PolarHBondContact O-N 3.15Å; D130-R132 PolarHBondContact O-N 3.41Å
131R86.8Confident88.8Confident67 Ų6767.1 Ų67.125%0.25329%0.285SS..  trans-75.7114.7-179.6-168.1-179.7-68.7-158.15.8112E127 H133 D542E127-R131 WeakPolarHBondContact O-CB 3.28Å; E127-R131 PolarHBondContact O-N 3.4Å; E127-R131 IonicContact OE1-CZ 3.75Å; E127-R131 IonicContact OE1-NE 3.36Å; E127-R131 PolarHBondContact OE1-NE 3.21Å; E127-R131 IonicContact OE1-NH2 2.79Å; E127-R131 PolarHBondContact OE1-NH2 3.39Å; R131-H133 WeakPolarHBondContact CD-O 3.46Å; R131-H133 PolarHBondContact O-N 3.35Å; R131-D542 IonicContact CZ-OD2 2.87Å; R131-D542 IonicContact NH1-OD2 2.78Å; R131-D542 PolarHBondContact NH1-OD2 2.84Å; R131-D542 IonicContact NH2-OD2 3Å; R131-D542 PolarHBondContact NH2-OD2 3.34Å
132R83.1Confident88.5Confident258 Ų25867.8 Ų67.897%0.97429%0.288SS*.SBendtrans-58.1-42.3177.4-68.7-172.5176.9-175.60113.8D130D130-R132 PolarHBondContact O-N 3.41Å
133H81.3Confident88Confident141 Ų14166.5 Ų66.565%0.65328%0.282SS*.  trans-133.2104.8178.9-174.164.6000111.3R131 K135R131-H133 WeakPolarHBondContact CD-O 3.46Å; R131-H133 PolarHBondContact O-N 3.35Å; H133-K135 PolarHBondContact O-N 2.79Å
134F85Confident87.5Confident19 Ų1966.3 Ų66.38%0.08328%0.282CS..  trans-8699.1173-164.4-75.8000110.4R136 F544 Q545 D548 P597F134-R136 PolarHBondContact O-N 2.87Å; F134-F544 HydrophobicContact CE2-CB 3.88Å; F134-F544 HydrophobicContact CZ-CB 4.06Å; F134-Q545 HydrophobicContact CE1-CB 4.49Å; F134-Q545 HydrophobicContact CE1-CG 3.92Å; F134-Q545 HydrophobicContact CZ-CB 4.4Å; F134-Q545 HydrophobicContact CZ-CG 3.89Å; F134-D548 HydrophobicContact CE1-CB 3.76Å; F134-D548 HydrophobicContact CZ-CB 3.98Å; F134-P597 HydrophobicContact CB-CB 4.46Å; F134-P597 HydrophobicContact CD1-CB 3.73Å; F134-P597 HydrophobicContact CE1-CB 4.48Å; F134-P597 HydrophobicContact CG-CB 4.43Å
135K84.3Confident86.9Confident79 Ų7972.3 Ų72.334%0.34331%0.31SS..  trans-73.6112.2176.4-173.9176.2178.1179.40109.7H133 Q545 T1663H133-K135 PolarHBondContact O-N 2.79Å; K135-Q545 VanDerWaalsContact O-CG 3.26Å; K135-Q545 WeakPolarHBondContact O-CG 3.34Å; K135-Q545 PolarHBondContact O-NE2 3.2Å; K135-T1663 PolarHBondContact NZ-OG1 2.64Å
136R85.4Confident86.5Confident79 Ų7971.4 Ų71.430%0.29831%0.309SS..PPolyproline II helixtrans-74.3137172.3174174-72.1143.55.4109.5F134 F139 D548 P597F134-R136 PolarHBondContact O-N 2.87Å; R136-F139 HydrophobicContact CG-CE2 4.36Å; R136-D548 IonicContact CZ-OD2 3.61Å; R136-D548 IonicContact NE-OD2 2.94Å; R136-D548 PolarHBondContact NE-OD2 2.84Å; R136-D548 IonicContact NH2-OD1 2.93Å; R136-D548 PolarHBondContact NH2-OD1 2.97Å; R136-D548 IonicContact NH2-OD2 2.67Å; R136-D548 PolarHBondContact NH2-OD2 3.43Å; R136-D548 VanDerWaalsContact NH2-OD2 3.08Å; R136-P597 HydrophobicContact CB-CB 4.33Å
137M86.1Confident86.2Confident13 Ų1368.7 Ų68.76%0.06431%0.308CS..PPolyproline II helixtrans-59.2151.7173.770.9169.8-54.700112.8F139 P141 S532 V541M137-F139 HydrophobicContact CE-CE1 3.99Å; M137-F139 HydrophobicContact CE-CZ 4.37Å; M137-F139 HydrophobicContact CG-CE1 3.89Å; M137-F139 HydrophobicContact CG-CE2 3.8Å; M137-F139 HydrophobicContact CG-CZ 3.33Å; M137-F139 WeakPolarHBondContact O-CE2 3.37Å; M137-F139 HydrophobicContact SD-CE1 3.64Å; M137-F139 HydrophobicContact SD-CZ 3.54Å; M137-F139 VanDerWaalsContact SD-CZ 3.54Å; M137-P141 HydrophobicContact CE-CB 3.95Å; M137-P141 HydrophobicContact CE-CG 3.56Å; M137-S532 VanDerWaalsContact CE-OG 3.26Å; M137-S532 WeakPolarHBondContact CE-OG 3.44Å; M137-S532 PolarHBondContact SD-OG 3.21Å; M137-V541 HydrophobicContact CB-CG1 4.37Å; M137-V541 HydrophobicContact CB-CG2 4.25Å
138R83.5Confident86Confident72 Ų7267.4 Ų67.427%0.27230%0.304SS..PPolyproline II helixtrans-76.7151.3177.957.5-179.5-80.1-171.3-12.9112.6P140 D1664 M1666R138-P140 CarbonylContact O-C 3.42Å; R138-D1664 IonicContact NH1-OD2 3.45Å; R138-D1664 PolarHBondContact NH1-OD2 3.39Å; R138-M1666 PolarHBondContact NH1-SD 2.8Å
139F85.3Confident85.8Confident41 Ų4168.2 Ų68.218%0.1831%0.309CS..SBendtrans-134.1119.4176.6-62.8-70.8000111.2R136 M137 P141 G549 Y552 I553 L560R136-F139 HydrophobicContact CG-CE2 4.36Å; M137-F139 HydrophobicContact CE-CE1 3.99Å; M137-F139 HydrophobicContact CE-CZ 4.37Å; M137-F139 HydrophobicContact CG-CE1 3.89Å; M137-F139 HydrophobicContact CG-CE2 3.8Å; M137-F139 HydrophobicContact CG-CZ 3.33Å; M137-F139 WeakPolarHBondContact O-CE2 3.37Å; M137-F139 HydrophobicContact SD-CE1 3.64Å; M137-F139 HydrophobicContact SD-CZ 3.54Å; M137-F139 VanDerWaalsContact SD-CZ 3.54Å; F139-P141 HydrophobicContact CD1-CG 4.45Å; F139-G549 WeakPolarHBondContact CZ-O 3.43Å; F139-Y552 AromaticContact CD2-CD1 3.51Å; F139-Y552 HydrophobicContact CD2-CD1 3.51Å; F139-Y552 AromaticContact CD2-CE1 3.73Å; F139-Y552 HydrophobicContact CD2-CE1 3.73Å; F139-Y552 HydrophobicContact CD2-CG 4.48Å; F139-Y552 AromaticContact CE2-CD1 3.39Å; F139-Y552 HydrophobicContact CE2-CD1 3.39Å; F139-Y552 HydrophobicContact CE2-CE1 4.08Å; F139-Y552 AromaticContact CE2-CG 4Å; F139-Y552 HydrophobicContact CE2-CG 4Å; F139-Y552 HydrophobicContact CG-CD1 4.38Å; F139-Y552 HydrophobicContact CZ-CD1 4.2Å; F139-I553 HydrophobicContact CD1-CD1 4.15Å; F139-I553 HydrophobicContact CD1-CG1 3.93Å; F139-I553 HydrophobicContact CE1-CD1 3.47Å; F139-I553 VanDerWaalsContact CE1-CD1 3.47Å; F139-I553 HydrophobicContact CE1-CG1 3.46Å; F139-I553 VanDerWaalsContact CE1-CG1 3.46Å; F139-I553 HydrophobicContact CZ-CD1 4.22Å; F139-I553 HydrophobicContact CZ-CG1 3.96Å; F139-L560 HydrophobicContact CB-CD2 3.83Å; F139-L560 HydrophobicContact CG-CD1 4.43Å
140P86.9Confident85.7Confident45 Ų4563.9 Ų63.929%0.29230%0.295SS..SBendcis-65.4150.7-2-19.833.8000113.4R138 L528R138-P140 CarbonylContact O-C 3.42Å; P140-L528 HydrophobicContact CB-CD2 3.98Å; P140-L528 HydrophobicContact CG-CD2 4.37Å
141P87.5Confident85.7Confident4 Ų460 Ų603%0.02627%0.273CS..SBendtrans-67.3-41.7178.7-21.234.5000113.3M137 F139 D531 Q535M137-P141 HydrophobicContact CE-CB 3.95Å; M137-P141 HydrophobicContact CE-CG 3.56Å; F139-P141 HydrophobicContact CD1-CG 4.45Å; P141-D531 HydrophobicContact CB-CB 3.98Å; P141-D531 HydrophobicContact CG-CB 3.68Å; P141-Q535 HydrophobicContact CB-CG 3.89Å
142F88.9Confident85.9Confident19 Ų1957.9 Ų57.98%0.08327%0.27CS..SBendtrans-106157.9176.4-64.6-77.1000112.1E146 L149 N493 D531 V534 Q535 L538F142-E146 WeakPolarHBondContact CD1-OE1 3.11Å; F142-E146 WeakPolarHBondContact CD1-OE2 3.48Å; F142-L149 HydrophobicContact CE1-CD1 3.79Å; F142-L149 HydrophobicContact CE1-CG 4.42Å; F142-L149 HydrophobicContact CZ-CD1 3.81Å; F142-N493 PolarHBondContact O-ND2 3.36Å; F142-D531 HydrophobicContact CD2-CB 3.79Å; F142-D531 HydrophobicContact CE2-CB 4Å; F142-V534 HydrophobicContact CE2-CB 4.15Å; F142-V534 HydrophobicContact CE2-CG1 3.88Å; F142-V534 HydrophobicContact CZ-CB 4.42Å; F142-V534 HydrophobicContact CZ-CG1 3.7Å; F142-Q535 HydrophobicContact CE2-CG 4.13Å; F142-Q535 HydrophobicContact CZ-CG 4.08Å; F142-L538 HydrophobicContact CZ-CD1 4.18Å
143D83.2Confident86.1Confident25 Ų2549.9 Ų49.913%0.13425%0.246CC..  trans-69.2161.5-179.1-154.1-0.2000112.1E145 E146 N493 K1595 M1666D143-E145 VanDerWaalsContact C-N 3.31Å; D143-E145 PolarHBondContact O-N 3.08Å; D143-E146 HydrophobicContact CB-CB 4.24Å; D143-E146 PolarHBondContact N-OE2 2.89Å; D143-E146 PolarHBondContact O-N 3.21Å; D143-N493 PolarHBondContact O-ND2 3.18Å; D143-K1595 WeakPolarHBondContact OD2-CE 3.07Å; D143-K1595 IonicContact OD2-NZ 3.68Å; D143-K1595 PolarHBondContact OD2-NZ 3.41Å; D143-M1666 HydrophobicContact CB-CE 4.17Å
144D83.6Confident86.5Confident35 Ų3546.2 Ų46.219%0.18723%0.231CC..SBendtrans-64.4-35.9-178.1-81.6-10.4000112.6D491 Y492 N493 N495 K497D144-D491 HydrophobicContact CB-CB 4.37Å; D144-D491 WeakPolarHBondContact CB-OD2 3.49Å; D144-D491 WeakPolarHBondContact O-CB 3.39Å; D144-Y492 PolarHBondContact O-N 3.18Å; D144-Y492 VanDerWaalsContact O-N 3.09Å; D144-N493 WeakPolarHBondContact CA-ND2 3.07Å; D144-N493 VanDerWaalsContact OD1-CB 3.32Å; D144-N493 WeakPolarHBondContact OD1-CB 3.44Å; D144-N493 PolarHBondContact OD1-ND2 2.97Å; D144-N495 PolarHBondContact OD1-ND2 3.16Å; D144-N495 VanDerWaalsContact OD1-ND2 3.14Å; D144-N495 PolarHBondContact OD2-ND2 3.39Å; D144-K497 IonicContact OD2-NZ 2.67Å; D144-K497 PolarHBondContact OD2-NZ 3.05Å
145E82Confident86.8Confident130 Ų13045.3 Ų45.361%0.60723%0.227SC*.SBendtrans-89.9-9.4-177.2-60.9-169.3176.600113D143 R1591D143-E145 VanDerWaalsContact C-N 3.31Å; D143-E145 PolarHBondContact O-N 3.08Å; E145-R1591 IonicContact OE1-NH1 3.04Å
146E85Confident87Confident56 Ų5645.3 Ų45.326%0.26223%0.231SC..SBendtrans-77.1124.5-179.5-167.3179.5172.900110.8F142 D143 Y492F142-E146 WeakPolarHBondContact CD1-OE1 3.11Å; F142-E146 WeakPolarHBondContact CD1-OE2 3.48Å; D143-E146 HydrophobicContact CB-CB 4.24Å; D143-E146 PolarHBondContact N-OE2 2.89Å; D143-E146 PolarHBondContact O-N 3.21Å; E146-Y492 VanDerWaalsContact O-CB 3.32Å; E146-Y492 WeakPolarHBondContact O-CB 3.37Å; E146-Y492 VanDerWaalsContact O-CD2 3.24Å; E146-Y492 WeakPolarHBondContact O-CD2 3.5Å
147P86.7Confident87Confident73 Ų7348.2 Ų48.247%0.47425%0.252SS..PPolyproline II helixtrans-66.7152.6177.829.3-34.3000110.8L149 Y492P147-L149 PolarHBondContact O-N 3.33Å; P147-Y492 HydrophobicContact CB-CD2 4.46Å; P147-Y492 HydrophobicContact CB-CE1 4.34Å; P147-Y492 HydrophobicContact CB-CE2 3.99Å
148P87.3Confident87.1Confident18 Ų1850.1 Ų50.112%0.11727%0.265CS..PPolyproline II helixtrans-62.1122.8172.826.9-33.2000109.6L466 R470P148-L466 HydrophobicContact CB-CD2 4.39Å; P148-R470 PolarHBondContact O-NH2 2.92Å
149L89Confident87.2Confident40 Ų4055.2 Ų55.221%0.20929%0.291CS..PPolyproline II helixtrans-51.1144.9178.1-61.6177.8000111.2F142 P147 N154 V534 L538F142-L149 HydrophobicContact CE1-CD1 3.79Å; F142-L149 HydrophobicContact CE1-CG 4.42Å; F142-L149 HydrophobicContact CZ-CD1 3.81Å; P147-L149 PolarHBondContact O-N 3.33Å; L149-N154 HydrophobicContact CB-CB 4.5Å; L149-V534 HydrophobicContact CD1-CG1 4.23Å; L149-L538 HydrophobicContact CD1-CD1 3.72Å
150D87.9Confident87.1Confident32 Ų3254.7 Ų54.717%0.17129%0.292CS..PPolyproline II helixtrans-78.2134.6172.4-149.9-31000109.5A152 D153 N154 R470D150-A152 VanDerWaalsContact C-N 3.35Å; D150-D153 HydrophobicContact CB-CB 4.32Å; D150-N154 PolarHBondContact N-ND2 3.24Å; D150-N154 WeakPolarHBondContact O-CB 3.44Å; D150-N154 PolarHBondContact O-N 3.37Å; D150-N154 PolarHBondContact O-ND2 2.76Å; D150-R470 IonicContact OD2-NH1 3.29Å
151Y91.3Very high87.1Confident15 Ų1555.7 Ų55.76%0.05930%0.295CS..Hα-helixtrans-66.3-41.8-179.1178.5-96.5000110.9D153 I155 L156 D460 V462 E463Y151-D153 VanDerWaalsContact C-N 3.33Å; Y151-D153 PolarHBondContact O-N 2.77Å; Y151-I155 HydrophobicContact CD2-CB 3.83Å; Y151-I155 HydrophobicContact CD2-CD1 4.09Å; Y151-I155 HydrophobicContact CD2-CG2 3.9Å; Y151-I155 HydrophobicContact CE2-CB 4.1Å; Y151-I155 HydrophobicContact CE2-CG2 3.71Å; Y151-I155 HydrophobicContact CG-CB 4.49Å; Y151-I155 PolarHBondContact O-N 2.82Å; Y151-I155 VanDerWaalsContact O-N 3.07Å; Y151-L156 HydrophobicContact CD1-CB 4.38Å; Y151-L156 HydrophobicContact CE1-CB 4.11Å; Y151-L156 HydrophobicContact CE1-CD1 3.94Å; Y151-L156 PolarHBondContact O-N 3.4Å; Y151-D460 HydrophobicContact CE2-CB 4.17Å; Y151-D460 VanDerWaalsContact CE2-OD2 3.3Å; Y151-D460 WeakPolarHBondContact CE2-OD2 3.08Å; Y151-D460 WeakPolarHBondContact OH-CB 3.29Å; Y151-D460 PolarHBondContact OH-OD2 3.42Å; Y151-V462 HydrophobicContact CD2-CG1 4.43Å; Y151-V462 HydrophobicContact CE2-CB 4.37Å; Y151-E463 HydrophobicContact CD1-CB 3.75Å; Y151-E463 HydrophobicContact CD1-CG 3.7Å; Y151-E463 WeakPolarHBondContact CD1-OE2 3.25Å; Y151-E463 HydrophobicContact CD2-CB 3.75Å; Y151-E463 HydrophobicContact CD2-CG 4.37Å; Y151-E463 HydrophobicContact CE1-CB 3.95Å; Y151-E463 HydrophobicContact CE1-CG 4.26Å; Y151-E463 WeakPolarHBondContact CE1-OE2 3.33Å; Y151-E463 HydrophobicContact CE2-CB 3.95Å; Y151-E463 HydrophobicContact CG-CB 3.65Å; Y151-E463 HydrophobicContact CG-CG 3.77Å
152A89.8Confident87.2Confident21 Ų2162.7 Ų62.717%0.17433%0.327CS..Hα-helixtrans-62.1-41.4-177.600000112.2D150D150-A152 VanDerWaalsContact C-N 3.35Å
153D88.8Confident87.4Confident91 Ų9162.4 Ų62.449%0.48733%0.327SS..Hα-helixtrans-91.2-22.6-169-57.4-10.6000112.3R44 D150 Y151R44-D153 IonicContact CZ-OD1 3.91Å; R44-D153 IonicContact CZ-OD2 3.16Å; R44-D153 IonicContact NH1-OD1 2.68Å; R44-D153 PolarHBondContact NH1-OD1 2.92Å; R44-D153 VanDerWaalsContact NH1-OD1 3.09Å; R44-D153 IonicContact NH1-OD2 3.29Å; R44-D153 IonicContact NH2-OD2 2.7Å; D150-D153 HydrophobicContact CB-CB 4.32Å; Y151-D153 VanDerWaalsContact C-N 3.33Å; Y151-D153 PolarHBondContact O-N 2.77Å
154N89.4Confident87.8Confident63 Ų6361.2 Ų61.234%0.33732%0.321SS..Hα-helixtrans-122.4-23-171.5-55.6-83.4000115.3L149 D150 V158 L538L149-N154 HydrophobicContact CB-CB 4.5Å; D150-N154 PolarHBondContact N-ND2 3.24Å; D150-N154 WeakPolarHBondContact O-CB 3.44Å; D150-N154 PolarHBondContact O-N 3.37Å; D150-N154 PolarHBondContact O-ND2 2.76Å; N154-V158 WeakPolarHBondContact O-CG2 3.28Å; N154-L538 HydrophobicContact CB-CD2 4.34Å; N154-L538 VanDerWaalsContact O-CD2 3.26Å; N154-L538 WeakPolarHBondContact O-CD2 3.3Å
155I90.6Very high88.2Confident0 Ų063.4 Ų63.40%033%0.33CS..THydrogen-bonded Turntrans-121-35.9-167.9-56.2172.9000112.1Y151 D157 V158 V462 L466 V534 R537 L538Y151-I155 HydrophobicContact CD2-CB 3.83Å; Y151-I155 HydrophobicContact CD2-CD1 4.09Å; Y151-I155 HydrophobicContact CD2-CG2 3.9Å; Y151-I155 HydrophobicContact CE2-CB 4.1Å; Y151-I155 HydrophobicContact CE2-CG2 3.71Å; Y151-I155 HydrophobicContact CG-CB 4.49Å; Y151-I155 PolarHBondContact O-N 2.82Å; Y151-I155 VanDerWaalsContact O-N 3.07Å; I155-D157 VanDerWaalsContact C-N 3.31Å; I155-D157 PolarHBondContact O-N 2.73Å; I155-V158 PolarHBondContact O-N 3.1Å; I155-V462 HydrophobicContact CD1-CG1 4.1Å; I155-L466 HydrophobicContact CD1-CD1 3.72Å; I155-V534 HydrophobicContact CD1-CB 4.42Å; I155-V534 HydrophobicContact CD1-CG1 3.8Å; I155-V534 HydrophobicContact CD1-CG2 4.07Å; I155-R537 HydrophobicContact CG2-CB 3.86Å; I155-L538 HydrophobicContact CG1-CD2 4.25Å
156L88.3Confident88.6Confident79 Ų7958.2 Ų58.241%0.41431%0.306SS..THydrogen-bonded Turntrans-60.2-39.8-174.5-179.459.8000112.7Y151Y151-L156 HydrophobicContact CD1-CB 4.38Å; Y151-L156 HydrophobicContact CE1-CB 4.11Å; Y151-L156 HydrophobicContact CE1-CD1 3.94Å; Y151-L156 PolarHBondContact O-N 3.4Å
157D86.2Confident88.7Confident140 Ų14064.5 Ų64.575%0.74934%0.336SS*.THydrogen-bonded Turntrans-88.2-3.9-176.4-58.7-29.1000113.6I155I155-D157 VanDerWaalsContact C-N 3.31Å; I155-D157 PolarHBondContact O-N 2.73Å
158V88.1Confident88.8Confident54 Ų5461.9 Ų61.933%0.32732%0.318SS..SBendtrans-93122.6-178.8-176.80000109.8N154 I155 R537N154-V158 WeakPolarHBondContact O-CG2 3.28Å; I155-V158 PolarHBondContact O-N 3.1Å; V158-R537 WeakPolarHBondContact CG1-O 3.37Å
159E84.9Confident88.8Confident178 Ų17864.1 Ų64.183%0.83233%0.329SS*.PPolyproline II helixtrans-63.5131175.1-67-149157.300111.1
160P83.6Confident88.8Confident31 Ų3166.9 Ų66.920%0.20135%0.349CS..PPolyproline II helixtrans-68.3138.5179.830.7-36.2000111.1Q85 I86Q85-P160 HydrophobicContact CB-CB 3.99Å; Q85-P160 HydrophobicContact CB-CG 4.07Å; Q85-P160 HydrophobicContact CG-CB 4.45Å; Q85-P160 HydrophobicContact CG-CG 4.5Å; I86-P160 HydrophobicContact CD1-CB 4.41Å; I86-P160 HydrophobicContact CD1-CG 3.89Å; I86-P160 HydrophobicContact CG1-CB 4.27Å; I86-P160 HydrophobicContact CG1-CG 4.12Å
161L87.3Confident88.8Confident66 Ų6673.7 Ų73.735%0.34638%0.38SS..PPolyproline II helixtrans-56.6154.9170.9-81.8161.7000112.1Q85 Y536 V541Q85-L161 WeakPolarHBondContact CG-O 3.22Å; Q85-L161 PolarHBondContact NE2-O 3Å; Q85-L161 VanDerWaalsContact NE2-O 3.13Å; L161-Y536 HydrophobicContact CB-CD2 4.2Å; L161-Y536 HydrophobicContact CB-CE2 3.6Å; L161-Y536 HydrophobicContact CD1-CD2 4.21Å; L161-Y536 HydrophobicContact CD1-CE2 4.42Å; L161-Y536 PolarHBondContact O-OH 2.8Å; L161-V541 VanDerWaalsContact CD1-O 3.27Å; L161-V541 WeakPolarHBondContact CD1-O 3.43Å
162E89.1Confident88.5Confident150 Ų15078.3 Ų78.370%0.70140%0.402SS*.PPolyproline II helixtrans-55.8136.4174-163.5176.6177.900111.4A543E162-A543 WeakPolarHBondContact O-CB 3.01Å
163P92.4Very high88.5Confident13 Ų1377.6 Ų77.68%0.08440%0.395CS..  trans-80.5-175.2177.636.8-34.1000110.3W83 Q85 Q165W83-P163 WeakPolarHBondContact O-CB 3.45Å; W83-P163 WeakPolarHBondContact O-CG 3.43Å; Q85-P163 HydrophobicContact CG-CB 4.01Å; Q85-P163 HydrophobicContact CG-CG 3.76Å; P163-Q165 HydrophobicContact CG-CG 4.16Å; P163-Q165 PolarHBondContact O-N 3.44Å
164I93.2Very high88.5Confident1 Ų175.8 Ų75.81%0.00539%0.393CS..  trans-86114.7173.1-52176000108.3P82 W83 M120 M123 M124 A543 F544 A547P82-I164 HydrophobicContact CB-CD1 4.12Å; P82-I164 PolarHBondContact O-N 2.77Å; W83-I164 VanDerWaalsContact CA-O 3.3Å; W83-I164 WeakPolarHBondContact CA-O 3.34Å; W83-I164 WeakPolarHBondContact CB-O 3.49Å; M120-I164 HydrophobicContact CE-CB 4.25Å; M120-I164 HydrophobicContact CE-CG2 3.87Å; M120-I164 WeakPolarHBondContact CE-O 3.43Å; M120-I164 HydrophobicContact SD-CB 3.61Å; M120-I164 HydrophobicContact SD-CG2 3.51Å; M120-I164 VanDerWaalsContact SD-CG2 3.51Å; M123-I164 HydrophobicContact CB-CG2 3.88Å; M124-I164 HydrophobicContact CE-CD1 3.53Å; M124-I164 HydrophobicContact CG-CD1 4.35Å; I164-A543 HydrophobicContact CG1-CB 3.79Å; I164-F544 HydrophobicContact CD1-CD1 3.75Å; I164-F544 HydrophobicContact CD1-CE1 4.05Å; I164-F544 HydrophobicContact CD1-CG 4.17Å; I164-F544 HydrophobicContact CG1-CD1 4.14Å; I164-F544 HydrophobicContact CG1-CE1 4.1Å; I164-F544 HydrophobicContact CG1-CE2 4.49Å; I164-F544 HydrophobicContact CG1-CG 4.36Å; I164-F544 HydrophobicContact CG1-CZ 4.28Å; I164-F544 HydrophobicContact CG2-CE1 3.76Å; I164-F544 HydrophobicContact CG2-CZ 3.97Å; I164-A547 HydrophobicContact CD1-CB 4.08Å
165Q91.7Very high88.4Confident81 Ų8174.8 Ų74.838%0.37939%0.389SS..  trans-132148.5172.6-65.7-178.4-0.300109.4M123 P163 Y181M123-Q165 WeakPolarHBondContact CE-O 3.26Å; P163-Q165 HydrophobicContact CG-CG 4.16Å; P163-Q165 PolarHBondContact O-N 3.44Å; Q165-Y181 HydrophobicContact CB-CD2 3.98Å; Q165-Y181 HydrophobicContact CB-CE2 3.8Å; Q165-Y181 HydrophobicContact CB-CG 4.5Å; Q165-Y181 HydrophobicContact CG-CD1 4.24Å; Q165-Y181 HydrophobicContact CG-CD2 3.78Å; Q165-Y181 HydrophobicContact CG-CE2 4.08Å; Q165-Y181 HydrophobicContact CG-CG 3.86Å
166L89.7Confident88.5Confident21 Ų2174.8 Ų74.811%0.1139%0.389CS..  trans-91.3136.1171178.366.8000107.5I122 M123 L168 Y181 L213I122-L166 HydrophobicContact CG2-CD1 4.49Å; M123-L166 HydrophobicContact CG-CB 3.89Å; M123-L166 HydrophobicContact CG-CD1 3.85Å; M123-L166 HydrophobicContact CG-CG 4.48Å; M123-L166 HydrophobicContact SD-CB 4.36Å; M123-L166 HydrophobicContact SD-CD1 3.46Å; M123-L166 WeakPolarHBondContact SD-CD1 3.3Å; L166-L168 HydrophobicContact CD2-CD2 4.31Å; L166-L168 PolarHBondContact O-N 2.84Å; L166-Y181 VanDerWaalsContact CB-OH 3.28Å; L166-Y181 WeakPolarHBondContact CB-OH 3.16Å; L166-Y181 PolarHBondContact N-OH 3.15Å; L166-L213 HydrophobicContact CD2-CD2 4.41Å
167E86.6Confident88.6Confident187 Ų18774.4 Ų74.487%0.87439%0.387SS*.  trans-63.3100.9165.2-70.2170.6-174.100107.8
168L88.9Confident88.7Confident18 Ų1876.2 Ų76.29%0.09439%0.391CS..  trans-75.6142.5178-66.7176.5000109.1L166 P170 D173 I176 I177 F180 Y181 L213L166-L168 HydrophobicContact CD2-CD2 4.31Å; L166-L168 PolarHBondContact O-N 2.84Å; L168-P170 WeakPolarHBondContact O-CD 3.46Å; L168-D173 HydrophobicContact CB-CB 4.08Å; L168-I176 HydrophobicContact CD1-CG1 4.46Å; L168-I177 HydrophobicContact CB-CD1 4.32Å; L168-I177 HydrophobicContact CB-CG1 4.11Å; L168-I177 HydrophobicContact CD1-CG1 4.4Å; L168-F180 HydrophobicContact CD1-CB 4.09Å; L168-F180 HydrophobicContact CD1-CD1 4Å; L168-F180 HydrophobicContact CD1-CG 4.29Å; L168-Y181 HydrophobicContact CD1-CE2 4.28Å; L168-Y181 HydrophobicContact CG-CE2 4.43Å; L168-L213 HydrophobicContact CD2-CD1 3.9Å; L168-L213 HydrophobicContact CD2-CD2 4.45Å
169D88Confident88.9Confident66 Ų6674.7 Ų74.735%0.35338%0.379SS..  trans-71.6126-178.1-172.9-87.1000110.5E171 E172 D173D169-E171 PolarHBondContact O-N 2.73Å; D169-E171 WeakPolarHBondContact OD1-CA 3.33Å; D169-E171 PolarHBondContact OD1-N 3.05Å; D169-E172 HydrophobicContact CB-CB 4.08Å; D169-E172 HydrophobicContact CB-CG 4.47Å; D169-E172 PolarHBondContact OD1-N 2.99Å; D169-D173 PolarHBondContact N-OD2 3.37Å; D169-D173 WeakPolarHBondContact O-CA 3.18Å; D169-D173 WeakPolarHBondContact O-CB 3.31Å; D169-D173 PolarHBondContact O-N 3.14Å
170P88.9Confident89.3Confident97 Ų9766.2 Ų66.263%0.6334%0.339SS*.THydrogen-bonded Turntrans-61.1-26.7-177-25.334.9000114.6L168 A174L168-P170 WeakPolarHBondContact O-CD 3.46Å; P170-A174 WeakPolarHBondContact O-CB 3.5Å
171E87.6Confident89.8Confident176 Ų17666 Ų6682%0.82234%0.335SS*.THydrogen-bonded Turntrans-95.9-53.4-177.8-64.4-174.617600111D169D169-E171 PolarHBondContact O-N 2.73Å; D169-E171 WeakPolarHBondContact OD1-CA 3.33Å; D169-E171 PolarHBondContact OD1-N 3.05Å
172E85.5Confident89.8Confident111 Ų11167.3 Ų67.352%0.51934%0.339SS..THydrogen-bonded Turntrans-70.7-39.1-176.8-60.7-174.7160.300112.2D169 N209 R212D169-E172 HydrophobicContact CB-CB 4.08Å; D169-E172 HydrophobicContact CB-CG 4.47Å; D169-E172 PolarHBondContact OD1-N 2.99Å; E172-N209 PolarHBondContact O-ND2 2.87Å; E172-R212 IonicContact OE2-CZ 2.65Å; E172-R212 VanDerWaalsContact OE2-CZ 3.23Å; E172-R212 IonicContact OE2-NH1 3.37Å; E172-R212 PolarHBondContact OE2-NH1 2.73Å; E172-R212 IonicContact OE2-NH2 3.82Å; E172-R212 PolarHBondContact OE2-NH2 2.82Å
173D90.1Very high89.7Confident6 Ų663.9 Ų63.93%0.03232%0.32CS..THydrogen-bonded Turntrans-101.714.1-175.8-65.7-43000113.2L168 D169 T175 I176 I177 R212L168-D173 HydrophobicContact CB-CB 4.08Å; D169-D173 PolarHBondContact N-OD2 3.37Å; D169-D173 WeakPolarHBondContact O-CA 3.18Å; D169-D173 WeakPolarHBondContact O-CB 3.31Å; D169-D173 PolarHBondContact O-N 3.14Å; D173-T175 PolarHBondContact O-N 3.07Å; D173-I176 HydrophobicContact CB-CD1 4.16Å; D173-I176 HydrophobicContact CB-CG1 3.95Å; D173-I176 WeakPolarHBondContact O-CG1 3.36Å; D173-I176 PolarHBondContact O-N 2.8Å; D173-I177 PolarHBondContact O-N 2.73Å; D173-I177 VanDerWaalsContact O-N 3.12Å; D173-R212 IonicContact OD1-CZ 3.35Å; D173-R212 IonicContact OD1-NH2 3.79Å; D173-R212 PolarHBondContact OD1-NH2 3.29Å; D173-R212 IonicContact OD2-NH2 3.5Å; D173-R212 PolarHBondContact OD2-NH2 3.09Å; D173-R212 VanDerWaalsContact OD2-NH2 3.08Å
174A89Confident89.4Confident54 Ų5465.5 Ų65.545%0.44633%0.328SS..THydrogen-bonded Turntrans-48.2-34.3-17800000113.8P170 I176P170-A174 WeakPolarHBondContact O-CB 3.5Å; A174-I176 VanDerWaalsContact C-N 3.3Å; A174-I176 PolarHBondContact O-N 2.83Å
175T87.8Confident89.3Confident42 Ų4265.7 Ų65.726%0.25833%0.329SS..THydrogen-bonded Turntrans-74.3-16.7-176.266.80000114.8D173 W179 N205 N209D173-T175 PolarHBondContact O-N 3.07Å; T175-W179 PolarHBondContact O-NE1 2.79Å; T175-N205 HydrophobicContact CG2-CB 4.28Å; T175-N209 PolarHBondContact OG1-ND2 2.91Å
176I92.1Very high89.2Confident0 Ų062.6 Ų62.60%032%0.315CS..THydrogen-bonded Turntrans-120.4-19.6-174.262.8170.9000113.3L168 D173 A174 E178 W179 F180 I206 N209 L210 L213L168-I176 HydrophobicContact CD1-CG1 4.46Å; D173-I176 HydrophobicContact CB-CD1 4.16Å; D173-I176 HydrophobicContact CB-CG1 3.95Å; D173-I176 WeakPolarHBondContact O-CG1 3.36Å; D173-I176 PolarHBondContact O-N 2.8Å; A174-I176 VanDerWaalsContact C-N 3.3Å; A174-I176 PolarHBondContact O-N 2.83Å; I176-E178 VanDerWaalsContact C-N 3.3Å; I176-E178 PolarHBondContact O-N 2.74Å; I176-E178 VanDerWaalsContact O-N 3.13Å; I176-W179 HydrophobicContact CB-CH2 4.16Å; I176-W179 HydrophobicContact CB-CZ2 3.94Å; I176-W179 HydrophobicContact CG2-CH2 3.74Å; I176-W179 HydrophobicContact CG2-CZ2 3.58Å; I176-W179 PolarHBondContact O-N 3.18Å; I176-F180 HydrophobicContact CB-CB 4.48Å; I176-F180 HydrophobicContact CD1-CD2 4.31Å; I176-F180 VanDerWaalsContact O-CB 3.26Å; I176-F180 WeakPolarHBondContact O-CB 3.48Å; I176-F180 PolarHBondContact O-N 2.97Å; I176-I206 HydrophobicContact CG2-CG2 4.1Å; I176-N209 HydrophobicContact CD1-CB 4.21Å; I176-N209 HydrophobicContact CG2-CB 4.25Å; I176-L210 HydrophobicContact CG2-CD2 4.3Å; I176-L210 HydrophobicContact CG2-CG 4.45Å; I176-L213 HydrophobicContact CD1-CD1 3.32Å; I176-L213 HydrophobicContact CD1-CG 4.44Å
177I90.5Very high89.2Confident71 Ų7163.1 Ų63.136%0.36432%0.319SS..THydrogen-bonded Turntrans-51.9-40.6-167-165.6166.1000114.4L168 D173L168-I177 HydrophobicContact CB-CD1 4.32Å; L168-I177 HydrophobicContact CB-CG1 4.11Å; L168-I177 HydrophobicContact CD1-CG1 4.4Å; D173-I177 PolarHBondContact O-N 2.73Å; D173-I177 VanDerWaalsContact O-N 3.12Å
178E88.3Confident89Confident177 Ų17763.8 Ų63.883%0.82732%0.322SS*.THydrogen-bonded Turntrans-71.9-36.9-174.4-63.5-177.5161.200114I176I176-E178 VanDerWaalsContact C-N 3.3Å; I176-E178 PolarHBondContact O-N 2.74Å; I176-E178 VanDerWaalsContact O-N 3.13Å
179W91.8Very high88.8Confident22 Ų2264.7 Ų64.78%0.08333%0.33CS..THydrogen-bonded Turntrans-115.5-7.5-166.452.8-97.7000113.6V112 T175 I176 Y181 E182 P185 L186 I206V112-W179 HydrophobicContact CG1-CZ3 4.24Å; V112-W179 HydrophobicContact CG2-CH2 4.4Å; V112-W179 HydrophobicContact CG2-CZ3 3.97Å; T175-W179 PolarHBondContact O-NE1 2.79Å; I176-W179 HydrophobicContact CB-CH2 4.16Å; I176-W179 HydrophobicContact CB-CZ2 3.94Å; I176-W179 HydrophobicContact CG2-CH2 3.74Å; I176-W179 HydrophobicContact CG2-CZ2 3.58Å; I176-W179 PolarHBondContact O-N 3.18Å; W179-Y181 VanDerWaalsContact C-N 3.34Å; W179-Y181 PolarHBondContact O-N 3Å; W179-E182 WeakPolarHBondContact O-CB 3.42Å; W179-E182 PolarHBondContact O-N 3.43Å; W179-P185 HydrophobicContact CE3-CB 3.78Å; W179-P185 HydrophobicContact CZ3-CB 4.32Å; W179-P185 WeakPolarHBondContact O-CB 3.29Å; W179-L186 HydrophobicContact CB-CD2 4.19Å; W179-L186 HydrophobicContact CD2-CD1 4.28Å; W179-L186 HydrophobicContact CD2-CD2 3.52Å; W179-L186 HydrophobicContact CD2-CG 3.77Å; W179-L186 HydrophobicContact CE3-CD1 4.23Å; W179-L186 HydrophobicContact CE3-CD2 4.18Å; W179-L186 HydrophobicContact CE3-CG 3.9Å; W179-L186 HydrophobicContact CG-CD2 3.53Å; W179-L186 HydrophobicContact CG-CG 4.16Å; W179-L186 HydrophobicContact CH2-CD1 4.04Å; W179-L186 HydrophobicContact CZ2-CD1 4.12Å; W179-L186 HydrophobicContact CZ2-CD2 4.29Å; W179-L186 HydrophobicContact CZ2-CG 4.47Å; W179-L186 HydrophobicContact CZ3-CD1 4.11Å; W179-L186 HydrophobicContact CZ3-CG 4.28Å; W179-I206 HydrophobicContact CH2-CG2 3.69Å; W179-I206 HydrophobicContact CZ2-CD1 4.01Å; W179-I206 HydrophobicContact CZ2-CG1 4.36Å; W179-I206 HydrophobicContact CZ2-CG2 3.7Å
180F93.4Very high88.8Confident0 Ų070.3 Ų70.30%035%0.351CS..THydrogen-bonded Turntrans-60.3-37.4-168.6-176.1-113.3000114.2V112 A115 Q116 L168 I176 L210 L213V112-F180 HydrophobicContact CG1-CD2 4.48Å; A115-F180 VanDerWaalsContact C-CZ 3.5Å; A115-F180 HydrophobicContact CB-CE2 3.71Å; A115-F180 HydrophobicContact CB-CZ 3.85Å; Q116-F180 HydrophobicContact CB-CZ 4.32Å; Q116-F180 HydrophobicContact CG-CD2 4.44Å; Q116-F180 HydrophobicContact CG-CE1 4.13Å; Q116-F180 HydrophobicContact CG-CE2 4.01Å; Q116-F180 HydrophobicContact CG-CZ 3.87Å; Q116-F180 PolarHBondContact NE2-O 3.08Å; L168-F180 HydrophobicContact CD1-CB 4.09Å; L168-F180 HydrophobicContact CD1-CD1 4Å; L168-F180 HydrophobicContact CD1-CG 4.29Å; I176-F180 HydrophobicContact CB-CB 4.48Å; I176-F180 HydrophobicContact CD1-CD2 4.31Å; I176-F180 VanDerWaalsContact O-CB 3.26Å; I176-F180 WeakPolarHBondContact O-CB 3.48Å; I176-F180 PolarHBondContact O-N 2.97Å; F180-L210 HydrophobicContact CD2-CD2 3.95Å; F180-L210 HydrophobicContact CE2-CD2 3.61Å; F180-L213 HydrophobicContact CE1-CD1 4.39Å; F180-L213 HydrophobicContact CE2-CD1 4.36Å; F180-L213 HydrophobicContact CZ-CD1 3.99Å
181Y92.9Very high88.9Confident28 Ų2869 Ų6911%0.1133%0.334CS..THydrogen-bonded Turntrans-98.57.1-177.5-68.3-59.5000114.7W83 S119 M120 Q165 L166 L168 W179W83-Y181 HydrophobicContact CB-CD1 3.59Å; W83-Y181 HydrophobicContact CB-CE1 4.14Å; W83-Y181 HydrophobicContact CB-CG 4.43Å; W83-Y181 AromaticContact CG-CD1 3.94Å; W83-Y181 HydrophobicContact CG-CD1 3.94Å; S119-Y181 VanDerWaalsContact CB-OH 3.28Å; S119-Y181 WeakPolarHBondContact CB-OH 3.42Å; S119-Y181 PolarHBondContact OG-OH 2.76Å; M120-Y181 HydrophobicContact CE-CE1 3.83Å; Q165-Y181 HydrophobicContact CB-CD2 3.98Å; Q165-Y181 HydrophobicContact CB-CE2 3.8Å; Q165-Y181 HydrophobicContact CB-CG 4.5Å; Q165-Y181 HydrophobicContact CG-CD1 4.24Å; Q165-Y181 HydrophobicContact CG-CD2 3.78Å; Q165-Y181 HydrophobicContact CG-CE2 4.08Å; Q165-Y181 HydrophobicContact CG-CG 3.86Å; L166-Y181 VanDerWaalsContact CB-OH 3.28Å; L166-Y181 WeakPolarHBondContact CB-OH 3.16Å; L166-Y181 PolarHBondContact N-OH 3.15Å; L168-Y181 HydrophobicContact CD1-CE2 4.28Å; L168-Y181 HydrophobicContact CG-CE2 4.43Å; W179-Y181 VanDerWaalsContact C-N 3.34Å; W179-Y181 PolarHBondContact O-N 3Å
182E88.8Confident89.1Confident93 Ų9361.2 Ų61.244%0.43530%0.299SS..SBendtrans-63.5155.8172.1-66.2-178.8168.100112W179 P185W179-E182 WeakPolarHBondContact O-CB 3.42Å; W179-E182 PolarHBondContact O-N 3.43Å; E182-P185 HydrophobicContact CB-CG 4.31Å; E182-P185 WeakPolarHBondContact O-CD 3.3Å; E182-P185 WeakPolarHBondContact O-CG 3.46Å
183R85.5Confident89.3Confident78 Ų7859.6 Ų59.629%0.29429%0.294SS..SBendtrans-60.1-50.7175.9172.9-169.6171.2170.26.4112.4D88 E104D88-R183 VanDerWaalsContact O-CZ 3.22Å; D88-R183 PolarHBondContact O-NH1 3.07Å; D88-R183 PolarHBondContact O-NH2 3.41Å; E104-R183 IonicContact OE1-CZ 2.77Å; E104-R183 IonicContact OE1-NH2 2.74Å; E104-R183 PolarHBondContact OE1-NH2 3.48Å; E104-R183 IonicContact OE2-NH2 2.79Å; E104-R183 PolarHBondContact OE2-NH2 3.35Å
184N88.1Confident89.2Confident47 Ų4760.4 Ų60.425%0.25130%0.304SS..SBendtrans-124.683.5176.2-65.2-31.1000107.1V187 Y197N184-V187 HydrophobicContact CB-CG2 3.36Å; N184-V187 WeakPolarHBondContact O-CG2 3.34Å; N184-Y197 HydrophobicContact CB-CD1 4.46Å; N184-Y197 HydrophobicContact CB-CE1 4.31Å; N184-Y197 HydrophobicContact CB-CE2 4.41Å
185P89.8Confident89.1Confident5 Ų564.1 Ų64.13%0.03232%0.32CS..THydrogen-bonded Turntrans-54.5145.6-176.1-30.437.7000112.9V112 W179 E182 V187 Y197V112-P185 HydrophobicContact CG1-CB 4.46Å; V112-P185 HydrophobicContact CG1-CG 4.06Å; W179-P185 HydrophobicContact CE3-CB 3.78Å; W179-P185 HydrophobicContact CZ3-CB 4.32Å; W179-P185 WeakPolarHBondContact O-CB 3.29Å; E182-P185 HydrophobicContact CB-CG 4.31Å; E182-P185 WeakPolarHBondContact O-CD 3.3Å; E182-P185 WeakPolarHBondContact O-CG 3.46Å; P185-V187 PolarHBondContact O-N 3.47Å; P185-V187 VanDerWaalsContact O-N 3.16Å; P185-Y197 WeakPolarHBondContact CD-OH 3.41Å; P185-Y197 WeakPolarHBondContact O-CE2 3.47Å; P185-Y197 PolarHBondContact O-OH 3.23Å
186L90.8Very high89Confident15 Ų1566 Ų668%0.07933%0.332CS..THydrogen-bonded Turntrans66.412.1171.2-60176.8000115W179 E188 S189 Y191 V192 L202W179-L186 HydrophobicContact CB-CD2 4.19Å; W179-L186 HydrophobicContact CD2-CD1 4.28Å; W179-L186 HydrophobicContact CD2-CD2 3.52Å; W179-L186 HydrophobicContact CD2-CG 3.77Å; W179-L186 HydrophobicContact CE3-CD1 4.23Å; W179-L186 HydrophobicContact CE3-CD2 4.18Å; W179-L186 HydrophobicContact CE3-CG 3.9Å; W179-L186 HydrophobicContact CG-CD2 3.53Å; W179-L186 HydrophobicContact CG-CG 4.16Å; W179-L186 HydrophobicContact CH2-CD1 4.04Å; W179-L186 HydrophobicContact CZ2-CD1 4.12Å; W179-L186 HydrophobicContact CZ2-CD2 4.29Å; W179-L186 HydrophobicContact CZ2-CG 4.47Å; W179-L186 HydrophobicContact CZ3-CD1 4.11Å; W179-L186 HydrophobicContact CZ3-CG 4.28Å; L186-E188 VanDerWaalsContact C-N 3.27Å; L186-E188 PolarHBondContact O-N 3.19Å; L186-S189 VanDerWaalsContact CB-OG 3.31Å; L186-S189 WeakPolarHBondContact CB-OG 3.47Å; L186-S189 WeakPolarHBondContact O-CB 3.29Å; L186-S189 PolarHBondContact O-N 3.5Å; L186-S189 PolarHBondContact O-OG 3.16Å; L186-Y191 HydrophobicContact CD1-CD2 4.02Å; L186-Y191 HydrophobicContact CD1-CG 4.34Å; L186-Y191 HydrophobicContact CD2-CD2 3.87Å; L186-Y191 HydrophobicContact CG-CD2 4.43Å; L186-V192 HydrophobicContact CB-CG1 4.32Å; L186-V192 WeakPolarHBondContact O-CG2 3.37Å; L186-L202 HydrophobicContact CD1-CD2 3.55Å
187V88.2Confident89Confident32 Ų3266.3 Ų66.319%0.19433%0.333CS..THydrogen-bonded Turntrans-56.6-36.5-176.3160.30000113.9N184 P185 S189 V195 Y197N184-V187 HydrophobicContact CB-CG2 3.36Å; N184-V187 WeakPolarHBondContact O-CG2 3.34Å; P185-V187 PolarHBondContact O-N 3.47Å; P185-V187 VanDerWaalsContact O-N 3.16Å; V187-S189 VanDerWaalsContact C-N 3.34Å; V187-V195 HydrophobicContact CG1-CG1 4.21Å; V187-Y197 HydrophobicContact CG2-CD2 3.58Å; V187-Y197 HydrophobicContact CG2-CE2 3.84Å; V187-Y197 HydrophobicContact CG2-CG 4.37Å
188E84.2Confident88.9Confident201 Ų20168 Ų6894%0.93934%0.335SS*.THydrogen-bonded Turntrans-87.7-5.4179-58.2-169.1165.800112.9L186L186-E188 VanDerWaalsContact C-N 3.27Å; L186-E188 PolarHBondContact O-N 3.19Å
189S84.5Confident89.2Confident37 Ų3768 Ų6826%0.25933%0.328SS..SBendtrans-92.1165.4-177.483.80000113.3L186 V187 Y191L186-S189 VanDerWaalsContact CB-OG 3.31Å; L186-S189 WeakPolarHBondContact CB-OG 3.47Å; L186-S189 WeakPolarHBondContact O-CB 3.29Å; L186-S189 PolarHBondContact O-N 3.5Å; L186-S189 PolarHBondContact O-OG 3.16Å; V187-S189 VanDerWaalsContact C-N 3.34Å; S189-Y191 PolarHBondContact O-N 3.46Å; S189-Y191 WeakPolarHBondContact OG-CB 3.48Å; S189-Y191 WeakPolarHBondContact OG-CD2 3.45Å; S189-Y191 PolarHBondContact OG-N 2.99Å; S189-Y191 VanDerWaalsContact OG-N 3.15Å
190K87.8Confident89.3Confident184 Ų18467.4 Ų67.480%0.833%0.325SS*.THydrogen-bonded Turntrans-66.9-10.9172.168.3-176.5179.2-173.60114.6V192K190-V192 VanDerWaalsContact C-N 3.3Å; K190-V192 PolarHBondContact O-N 3.22Å
191Y90Very high89.3Confident69 Ų6971.4 Ų71.427%0.27135%0.347SS..THydrogen-bonded Turntrans-78.6-13.8-175-58.5-55.4000113.3L186 S189 W200 N201 L202 P203 I206L186-Y191 HydrophobicContact CD1-CD2 4.02Å; L186-Y191 HydrophobicContact CD1-CG 4.34Å; L186-Y191 HydrophobicContact CD2-CD2 3.87Å; L186-Y191 HydrophobicContact CG-CD2 4.43Å; S189-Y191 PolarHBondContact O-N 3.46Å; S189-Y191 WeakPolarHBondContact OG-CB 3.48Å; S189-Y191 WeakPolarHBondContact OG-CD2 3.45Å; S189-Y191 PolarHBondContact OG-N 2.99Å; S189-Y191 VanDerWaalsContact OG-N 3.15Å; Y191-W200 CarbonylContact O-C 3.44Å; Y191-W200 VanDerWaalsContact O-CA 3.23Å; Y191-W200 WeakPolarHBondContact O-CA 3.33Å; Y191-N201 WeakPolarHBondContact CB-O 3.41Å; Y191-N201 VanDerWaalsContact CD1-O 3.24Å; Y191-N201 WeakPolarHBondContact CD1-O 3.14Å; Y191-N201 PolarHBondContact O-N 3.49Å; Y191-L202 HydrophobicContact CG-CD2 4.33Å; Y191-P203 HydrophobicContact CE1-CG 4.24Å; Y191-I206 HydrophobicContact CE2-CD1 4.27Å
192V91.6Very high89.3Confident14 Ų1470.2 Ų70.29%0.08534%0.342CS..BIsolated β-bridgetrans-130.2165.1173.9-55.90000111.6L186 K190 G194 Y197 R199 W200L186-V192 HydrophobicContact CB-CG1 4.32Å; L186-V192 WeakPolarHBondContact O-CG2 3.37Å; K190-V192 VanDerWaalsContact C-N 3.3Å; K190-V192 PolarHBondContact O-N 3.22Å; V192-G194 PolarHBondContact O-N 2.96Å; V192-G194 VanDerWaalsContact O-N 3.16Å; V192-Y197 HydrophobicContact CB-CD2 4.29Å; V192-Y197 HydrophobicContact CB-CE2 4.27Å; V192-Y197 HydrophobicContact CG1-CD2 4.33Å; V192-Y197 HydrophobicContact CG1-CE2 3.83Å; V192-Y197 HydrophobicContact CG2-CD2 4.1Å; V192-Y197 HydrophobicContact CG2-CE2 4.15Å; V192-R199 VanDerWaalsContact CA-O 3.24Å; V192-R199 WeakPolarHBondContact CA-O 3.27Å; V192-R199 WeakPolarHBondContact CB-O 3.43Å; V192-W200 HydrophobicContact CG1-CB 4.1Å
193N90.1Very high89.5Confident76 Ų7667.2 Ų67.241%0.40633%0.331SS..  trans-80.815.8-174.175.3-61000115.3T196 R198 R199N193-T196 PolarHBondContact ND2-OG1 2.92Å; N193-R198 WeakPolarHBondContact OD1-CA 3.48Å; N193-R198 PolarHBondContact OD1-N 3.06Å; N193-R199 HydrophobicContact CB-CB 4.33Å; N193-R199 PolarHBondContact N-O 3.49Å; N193-R199 PolarHBondContact OD1-N 3Å
194G88.8Confident89.8Confident24 Ų2467 Ų6725%0.24734%0.335CS..SBendtrans95.3-166.4-17700000115.1V192 T196 Y197V192-G194 PolarHBondContact O-N 2.96Å; V192-G194 VanDerWaalsContact O-N 3.16Å; G194-T196 PolarHBondContact O-N 3.47Å; G194-Y197 PolarHBondContact O-N 2.65Å
195V86.1Confident89.9Confident131 Ų13167.5 Ų67.579%0.79434%0.338SS*.THydrogen-bonded Turntrans-56.9-15.8-169.2-60.80000116.4V187 Y197V187-V195 HydrophobicContact CG1-CG1 4.21Å; V195-Y197 VanDerWaalsContact C-N 3.28Å
196T85.5Confident90Very high81 Ų8167.6 Ų67.650%0.49734%0.338SS..THydrogen-bonded Turntrans-74.8-20.4173.761.20000113.3N193 G194 R198N193-T196 PolarHBondContact ND2-OG1 2.92Å; G194-T196 PolarHBondContact O-N 3.47Å; T196-R198 WeakPolarHBondContact O-CD 3.12Å; T196-R198 WeakPolarHBondContact O-CG 3.5Å; T196-R198 PolarHBondContact O-NE 3.23Å
197Y91.6Very high90.2Very high8 Ų867 Ų673%0.03134%0.335CS..  trans51.660.6172.2-153.9-119.9000114.2W107 V109 N184 P185 V187 V192 G194 V195 T390W107-Y197 HydrophobicContact CB-CD1 3.99Å; W107-Y197 WeakPolarHBondContact CB-O 3.45Å; W107-Y197 VanDerWaalsContact O-CD1 3.31Å; W107-Y197 WeakPolarHBondContact O-CD1 3.41Å; W107-Y197 WeakPolarHBondContact O-CE1 3.25Å; V109-Y197 HydrophobicContact CG2-CE1 4.27Å; V109-Y197 HydrophobicContact CG2-CE2 4.39Å; V109-Y197 WeakPolarHBondContact CG2-OH 3.3Å; N184-Y197 HydrophobicContact CB-CD1 4.46Å; N184-Y197 HydrophobicContact CB-CE1 4.31Å; N184-Y197 HydrophobicContact CB-CE2 4.41Å; P185-Y197 WeakPolarHBondContact CD-OH 3.41Å; P185-Y197 WeakPolarHBondContact O-CE2 3.47Å; P185-Y197 PolarHBondContact O-OH 3.23Å; V187-Y197 HydrophobicContact CG2-CD2 3.58Å; V187-Y197 HydrophobicContact CG2-CE2 3.84Å; V187-Y197 HydrophobicContact CG2-CG 4.37Å; V192-Y197 HydrophobicContact CB-CD2 4.29Å; V192-Y197 HydrophobicContact CB-CE2 4.27Å; V192-Y197 HydrophobicContact CG1-CD2 4.33Å; V192-Y197 HydrophobicContact CG1-CE2 3.83Å; V192-Y197 HydrophobicContact CG2-CD2 4.1Å; V192-Y197 HydrophobicContact CG2-CE2 4.15Å; G194-Y197 PolarHBondContact O-N 2.65Å; V195-Y197 VanDerWaalsContact C-N 3.28Å; Y197-T390 HydrophobicContact CD1-CG2 4.25Å; Y197-T390 HydrophobicContact CE1-CG2 4.42Å; Y197-T390 WeakPolarHBondContact O-CB 3.12Å; Y197-T390 WeakPolarHBondContact O-CG2 3.31Å; Y197-T390 PolarHBondContact O-OG1 3.41Å
198R90.2Very high90.3Very high106 Ų10666 Ų6640%0.433%0.329SS..  trans-115.9-33.1-170.5-64.1-53.6-171.3143.7-6.2115.8N193 T196 S389 T390N193-R198 WeakPolarHBondContact OD1-CA 3.48Å; N193-R198 PolarHBondContact OD1-N 3.06Å; T196-R198 WeakPolarHBondContact O-CD 3.12Å; T196-R198 WeakPolarHBondContact O-CG 3.5Å; T196-R198 PolarHBondContact O-NE 3.23Å; R198-S389 CarbonylContact O-C 3.58Å; R198-S389 WeakPolarHBondContact O-CA 3.34Å; R198-T390 VanDerWaalsContact CA-OG1 3.26Å; R198-T390 WeakPolarHBondContact CA-OG1 3.49Å; R198-T390 PolarHBondContact O-N 3.2Å; R198-T390 PolarHBondContact O-OG1 2.86Å
199R93.5Very high90.7Very high178 Ų17857.5 Ų57.567%0.67229%0.29SS*.EExtended strand (participates in β ladder)trans-131.1141.5-177.9-61.7-177.8-174.2174.11.5109.1V192 N193V192-R199 VanDerWaalsContact CA-O 3.24Å; V192-R199 WeakPolarHBondContact CA-O 3.27Å; V192-R199 WeakPolarHBondContact CB-O 3.43Å; N193-R199 HydrophobicContact CB-CB 4.33Å; N193-R199 PolarHBondContact N-O 3.49Å; N193-R199 PolarHBondContact OD1-N 3Å
200W94.3Very high91.1Very high8 Ų855.7 Ų55.73%0.0328%0.278CS..EExtended strand (participates in β ladder)trans-130.2150178.860.8-91.7000110.8V109 P111 Y191 V192 L202 M207 R386 S387 G388 S389V109-W200 HydrophobicContact CB-CG 4.43Å; V109-W200 HydrophobicContact CG1-CB 4.2Å; V109-W200 HydrophobicContact CG1-CD2 3.82Å; V109-W200 HydrophobicContact CG1-CE3 4.36Å; V109-W200 HydrophobicContact CG1-CG 3.74Å; V109-W200 HydrophobicContact CG2-CB 3.82Å; V109-W200 HydrophobicContact CG2-CG 3.98Å; P111-W200 HydrophobicContact CG-CH2 3.74Å; P111-W200 HydrophobicContact CG-CZ2 3.99Å; P111-W200 HydrophobicContact CG-CZ3 4.08Å; Y191-W200 CarbonylContact O-C 3.44Å; Y191-W200 VanDerWaalsContact O-CA 3.23Å; Y191-W200 WeakPolarHBondContact O-CA 3.33Å; V192-W200 HydrophobicContact CG1-CB 4.1Å; W200-L202 HydrophobicContact CE3-CB 4.4Å; W200-L202 HydrophobicContact CE3-CD1 3.83Å; W200-L202 HydrophobicContact CE3-CG 3.8Å; W200-L202 HydrophobicContact CZ3-CB 4.42Å; W200-L202 HydrophobicContact CZ3-CD1 3.99Å; W200-L202 HydrophobicContact CZ3-CG 4.19Å; W200-M207 HydrophobicContact CZ3-SD 4.13Å; W200-R386 VanDerWaalsContact CZ3-O 3.27Å; W200-R386 WeakPolarHBondContact CZ3-O 3.36Å; W200-S387 WeakPolarHBondContact O-CA 3.46Å; W200-S387 WeakPolarHBondContact O-CB 3.4Å; W200-S387 PolarHBondContact O-OG 3.29Å; W200-G388 VanDerWaalsContact CD1-O 3.24Å; W200-G388 PolarHBondContact N-O 3.42Å; W200-G388 PolarHBondContact O-N 3.19Å; W200-S389 PolarHBondContact NE1-O 3.42Å
201N94.1Very high91.4Very high85 Ų8548.6 Ų48.646%0.45525%0.246SC..EExtended strand (participates in β ladder)trans-146.8113.5177.7-177.621.6000108.7Y191Y191-N201 WeakPolarHBondContact CB-O 3.41Å; Y191-N201 VanDerWaalsContact CD1-O 3.24Å; Y191-N201 WeakPolarHBondContact CD1-O 3.14Å; Y191-N201 PolarHBondContact O-N 3.49Å
202L92.9Very high91.4Very high2 Ų249.9 Ų49.91%0.0125%0.251CS..  trans-117.6142.6-172.9-61.8172.7000111.3V109 P111 V112 L186 Y191 W200 I206 M207 L210 R386V109-L202 HydrophobicContact CG1-CD1 4.39Å; P111-L202 HydrophobicContact CG-CD1 4.3Å; V112-L202 HydrophobicContact CG2-CD1 4.46Å; L186-L202 HydrophobicContact CD1-CD2 3.55Å; Y191-L202 HydrophobicContact CG-CD2 4.33Å; W200-L202 HydrophobicContact CE3-CB 4.4Å; W200-L202 HydrophobicContact CE3-CD1 3.83Å; W200-L202 HydrophobicContact CE3-CG 3.8Å; W200-L202 HydrophobicContact CZ3-CB 4.42Å; W200-L202 HydrophobicContact CZ3-CD1 3.99Å; W200-L202 HydrophobicContact CZ3-CG 4.19Å; L202-I206 HydrophobicContact CB-CG2 4.38Å; L202-I206 HydrophobicContact CD1-CG2 4.28Å; L202-I206 HydrophobicContact CD2-CG2 4.16Å; L202-I206 HydrophobicContact CG-CG2 4.49Å; L202-M207 HydrophobicContact CB-CG 3.97Å; L202-M207 HydrophobicContact CB-SD 4.03Å; L202-M207 HydrophobicContact CD1-SD 3.8Å; L202-L210 HydrophobicContact CD1-CD1 3.98Å; L202-R386 PolarHBondContact N-O 2.94Å
203P92Very high91.4Very high31 Ų3149.9 Ų49.920%0.20125%0.25CC..  trans-71.4165.2171.632.6-35.9000112Y191 N205 I206 M207Y191-P203 HydrophobicContact CE1-CG 4.24Å; P203-N205 VanDerWaalsContact CB-OD1 3.29Å; P203-N205 WeakPolarHBondContact CB-OD1 3.33Å; P203-N205 VanDerWaalsContact CG-OD1 3.24Å; P203-N205 WeakPolarHBondContact CG-OD1 3.4Å; P203-N205 PolarHBondContact O-N 3.28Å; P203-I206 HydrophobicContact CG-CB 4.03Å; P203-I206 HydrophobicContact CG-CD1 3.58Å; P203-I206 HydrophobicContact CG-CG1 3.76Å; P203-I206 PolarHBondContact O-N 3Å; P203-M207 WeakPolarHBondContact O-CG 3.34Å; P203-M207 PolarHBondContact O-N 2.93Å; P203-M207 VanDerWaalsContact O-N 3.11Å
204L91.9Very high91.6Very high73 Ų7346.2 Ų46.238%0.38223%0.23SC..Hα-helixtrans-65.7-39.3-172.3-69.2176.2000113.2M207 S208 L376 R386L204-M207 CarbonylContact O-C 3.5Å; L204-M207 PolarHBondContact O-N 2.83Å; L204-M207 VanDerWaalsContact O-N 3.15Å; L204-S208 PolarHBondContact O-N 2.95Å; L204-S208 PolarHBondContact O-OG 2.9Å; L204-L376 HydrophobicContact CD2-CD1 4.21Å; L204-R386 HydrophobicContact CD2-CG 3.95Å
205N90.3Very high91.6Very high58 Ų5848.6 Ų48.631%0.3124%0.237SC..Hα-helixtrans-61.6-42.3176.658.5-19000112.8T175 P203 M207 S208 N209T175-N205 HydrophobicContact CG2-CB 4.28Å; P203-N205 VanDerWaalsContact CB-OD1 3.29Å; P203-N205 WeakPolarHBondContact CB-OD1 3.33Å; P203-N205 VanDerWaalsContact CG-OD1 3.24Å; P203-N205 WeakPolarHBondContact CG-OD1 3.4Å; P203-N205 PolarHBondContact O-N 3.28Å; N205-M207 VanDerWaalsContact C-N 3.33Å; N205-M207 PolarHBondContact O-N 2.84Å; N205-S208 WeakPolarHBondContact CA-OG 3.33Å; N205-S208 PolarHBondContact O-N 3.26Å; N205-S208 PolarHBondContact O-OG 2.98Å; N205-N209 PolarHBondContact O-N 3.24Å; N205-N209 VanDerWaalsContact O-N 3.17Å; N205-N209 PolarHBondContact O-OD1 3.45Å
206I92.7Very high91.7Very high7 Ų744 Ų444%0.03621%0.211CC..Hα-helixtrans-64.7-41.9173.5-67.6179000109.8I176 W179 Y191 L202 P203 N209 L210I176-I206 HydrophobicContact CG2-CG2 4.1Å; W179-I206 HydrophobicContact CH2-CG2 3.69Å; W179-I206 HydrophobicContact CZ2-CD1 4.01Å; W179-I206 HydrophobicContact CZ2-CG1 4.36Å; W179-I206 HydrophobicContact CZ2-CG2 3.7Å; Y191-I206 HydrophobicContact CE2-CD1 4.27Å; L202-I206 HydrophobicContact CB-CG2 4.38Å; L202-I206 HydrophobicContact CD1-CG2 4.28Å; L202-I206 HydrophobicContact CD2-CG2 4.16Å; L202-I206 HydrophobicContact CG-CG2 4.49Å; P203-I206 HydrophobicContact CG-CB 4.03Å; P203-I206 HydrophobicContact CG-CD1 3.58Å; P203-I206 HydrophobicContact CG-CG1 3.76Å; P203-I206 PolarHBondContact O-N 3Å; I206-N209 PolarHBondContact O-N 3.3Å; I206-L210 HydrophobicContact CG2-CD1 3.92Å; I206-L210 HydrophobicContact CG2-CG 4.29Å; I206-L210 WeakPolarHBondContact O-CB 3.29Å; I206-L210 WeakPolarHBondContact O-CG 3.27Å; I206-L210 PolarHBondContact O-N 3Å
207M93.7Very high92Very high2 Ų240.4 Ų40.41%0.0119%0.189CC..Hα-helixtrans-66.4-37.2179.3-73.3-63.9-64.100113.2P111 W200 L202 P203 L204 N205 Y211 L376 F383 L385P111-M207 HydrophobicContact CB-CE 4.18Å; P111-M207 HydrophobicContact CB-SD 4.24Å; P111-M207 HydrophobicContact CG-CE 4.35Å; P111-M207 HydrophobicContact CG-SD 4.1Å; W200-M207 HydrophobicContact CZ3-SD 4.13Å; L202-M207 HydrophobicContact CB-CG 3.97Å; L202-M207 HydrophobicContact CB-SD 4.03Å; L202-M207 HydrophobicContact CD1-SD 3.8Å; P203-M207 WeakPolarHBondContact O-CG 3.34Å; P203-M207 PolarHBondContact O-N 2.93Å; P203-M207 VanDerWaalsContact O-N 3.11Å; L204-M207 CarbonylContact O-C 3.5Å; L204-M207 PolarHBondContact O-N 2.83Å; L204-M207 VanDerWaalsContact O-N 3.15Å; N205-M207 VanDerWaalsContact C-N 3.33Å; N205-M207 PolarHBondContact O-N 2.84Å; M207-Y211 VanDerWaalsContact O-CB 3.28Å; M207-Y211 WeakPolarHBondContact O-CB 3.23Å; M207-Y211 PolarHBondContact O-N 3.48Å; M207-L376 HydrophobicContact CB-CD1 3.85Å; M207-L376 HydrophobicContact CB-CD2 4.33Å; M207-F383 HydrophobicContact CE-CB 4.4Å; M207-F383 HydrophobicContact CE-CD1 4.29Å; M207-F383 VanDerWaalsContact CE-O 3.22Å; M207-F383 WeakPolarHBondContact CE-O 3.31Å; M207-L385 VanDerWaalsContact CE-O 3.23Å; M207-L385 WeakPolarHBondContact CE-O 3.37Å
208S90.9Very high91.9Very high11 Ų1141.3 Ų41.38%0.07719%0.194CC..Hα-helixtrans-66.1-43.717754.20000111.2L204 N205 Y211 R212L204-S208 PolarHBondContact O-N 2.95Å; L204-S208 PolarHBondContact O-OG 2.9Å; N205-S208 WeakPolarHBondContact CA-OG 3.33Å; N205-S208 PolarHBondContact O-N 3.26Å; N205-S208 PolarHBondContact O-OG 2.98Å; S208-Y211 PolarHBondContact O-N 3.48Å; S208-R212 WeakPolarHBondContact O-CB 3.43Å; S208-R212 PolarHBondContact O-N 2.99Å
209N91.9Very high91.6Very high22 Ų2237.6 Ų37.612%0.11818%0.183CC..Hα-helixtrans-63.6-45.5177-7213.4000111.4E172 T175 I176 N205 I206 Y211 R212 L213E172-N209 PolarHBondContact O-ND2 2.87Å; T175-N209 PolarHBondContact OG1-ND2 2.91Å; I176-N209 HydrophobicContact CD1-CB 4.21Å; I176-N209 HydrophobicContact CG2-CB 4.25Å; N205-N209 PolarHBondContact O-N 3.24Å; N205-N209 VanDerWaalsContact O-N 3.17Å; N205-N209 PolarHBondContact O-OD1 3.45Å; I206-N209 PolarHBondContact O-N 3.3Å; N209-Y211 VanDerWaalsContact C-N 3.32Å; N209-Y211 PolarHBondContact O-N 3.29Å; N209-R212 PolarHBondContact O-N 3.37Å; N209-L213 PolarHBondContact O-N 3.46Å
210L94.2Very high91.1Very high0 Ų034.7 Ų34.70%018%0.181CC..Hα-helixtrans-62.1-38.5175.5-67177000112.4P111 V112 A115 I176 F180 L202 I206 A214 F383P111-L210 HydrophobicContact CB-CD1 4.28Å; V112-L210 HydrophobicContact CG2-CD1 3.7Å; V112-L210 HydrophobicContact CG2-CD2 4.34Å; A115-L210 HydrophobicContact CB-CB 4.21Å; A115-L210 HydrophobicContact CB-CD2 3.75Å; A115-L210 WeakPolarHBondContact CB-O 3.44Å; I176-L210 HydrophobicContact CG2-CD2 4.3Å; I176-L210 HydrophobicContact CG2-CG 4.45Å; F180-L210 HydrophobicContact CD2-CD2 3.95Å; F180-L210 HydrophobicContact CE2-CD2 3.61Å; L202-L210 HydrophobicContact CD1-CD1 3.98Å; I206-L210 HydrophobicContact CG2-CD1 3.92Å; I206-L210 HydrophobicContact CG2-CG 4.29Å; I206-L210 WeakPolarHBondContact O-CB 3.29Å; I206-L210 WeakPolarHBondContact O-CG 3.27Å; I206-L210 PolarHBondContact O-N 3Å; L210-A214 VanDerWaalsContact O-CB 3.31Å; L210-A214 WeakPolarHBondContact O-CB 3.42Å; L210-A214 PolarHBondContact O-N 2.97Å; L210-A214 VanDerWaalsContact O-N 3.16Å; L210-F383 HydrophobicContact CB-CE1 4.12Å; L210-F383 WeakPolarHBondContact O-CE1 3.44Å
211Y92.6Very high90.7Very high34 Ų3436.7 Ų36.713%0.13319%0.192CC..Hα-helixtrans-63.3-47.7176.9176.6-120.9000110.9M207 S208 N209 L213 A214 N215 L218 L376 A379 F383M207-Y211 VanDerWaalsContact O-CB 3.28Å; M207-Y211 WeakPolarHBondContact O-CB 3.23Å; M207-Y211 PolarHBondContact O-N 3.48Å; S208-Y211 PolarHBondContact O-N 3.48Å; N209-Y211 VanDerWaalsContact C-N 3.32Å; N209-Y211 PolarHBondContact O-N 3.29Å; Y211-L213 PolarHBondContact O-N 2.99Å; Y211-A214 PolarHBondContact O-N 2.67Å; Y211-A214 VanDerWaalsContact O-N 3.14Å; Y211-N215 PolarHBondContact O-N 3.25Å; Y211-N215 PolarHBondContact O-OD1 2.68Å; Y211-L218 HydrophobicContact CD2-CD1 3.56Å; Y211-L218 HydrophobicContact CE2-CD1 3.52Å; Y211-L376 HydrophobicContact CD1-CD2 4.22Å; Y211-L376 HydrophobicContact CG-CD2 4.06Å; Y211-A379 HydrophobicContact CD2-CB 4.03Å; Y211-A379 HydrophobicContact CE1-CB 4.44Å; Y211-A379 HydrophobicContact CE2-CB 3.68Å; Y211-F383 HydrophobicContact CD2-CB 3.8Å; Y211-F383 HydrophobicContact CD2-CD1 4.08Å; Y211-F383 HydrophobicContact CD2-CD2 4.01Å; Y211-F383 AromaticContact CD2-CG 3.68Å; Y211-F383 HydrophobicContact CD2-CG 3.68Å; Y211-F383 HydrophobicContact CG-CB 4.35Å; Y211-F383 HydrophobicContact CG-CD1 4.37Å; Y211-F383 HydrophobicContact CG-CG 4.33Å
212R90.6Very high90.3Very high97 Ų9735.2 Ų35.237%0.36619%0.186SC..Hα-helixtrans-57.4-49.3177.6-169.8-177.472.7111.8-4112.3E172 D173 S208 N209 A214 N215E172-R212 IonicContact OE2-CZ 2.65Å; E172-R212 VanDerWaalsContact OE2-CZ 3.23Å; E172-R212 IonicContact OE2-NH1 3.37Å; E172-R212 PolarHBondContact OE2-NH1 2.73Å; E172-R212 IonicContact OE2-NH2 3.82Å; E172-R212 PolarHBondContact OE2-NH2 2.82Å; D173-R212 IonicContact OD1-CZ 3.35Å; D173-R212 IonicContact OD1-NH2 3.79Å; D173-R212 PolarHBondContact OD1-NH2 3.29Å; D173-R212 IonicContact OD2-NH2 3.5Å; D173-R212 PolarHBondContact OD2-NH2 3.09Å; D173-R212 VanDerWaalsContact OD2-NH2 3.08Å; S208-R212 WeakPolarHBondContact O-CB 3.43Å; S208-R212 PolarHBondContact O-N 2.99Å; N209-R212 PolarHBondContact O-N 3.37Å; R212-A214 PolarHBondContact O-N 2.72Å; R212-N215 WeakPolarHBondContact O-CB 3.38Å; R212-N215 PolarHBondContact O-N 3.05Å; R212-N215 PolarHBondContact O-ND2 3.29Å
213L92.3Very high90.1Very high13 Ų1336.8 Ų36.87%0.06819%0.194CC..Hα-helixtrans-65.4-26.2178.5-69.9-177.2000113.5A115 L166 L168 I176 F180 N209 Y211A115-L213 HydrophobicContact CB-CB 4.24Å; L166-L213 HydrophobicContact CD2-CD2 4.41Å; L168-L213 HydrophobicContact CD2-CD1 3.9Å; L168-L213 HydrophobicContact CD2-CD2 4.45Å; I176-L213 HydrophobicContact CD1-CD1 3.32Å; I176-L213 HydrophobicContact CD1-CG 4.44Å; F180-L213 HydrophobicContact CE1-CD1 4.39Å; F180-L213 HydrophobicContact CE2-CD1 4.36Å; F180-L213 HydrophobicContact CZ-CD1 3.99Å; N209-L213 PolarHBondContact O-N 3.46Å; Y211-L213 PolarHBondContact O-N 2.99Å
214A93.3Very high89.9Confident0 Ų040.6 Ų40.60%021%0.213CC..Hα-helixtrans-84-11.4-179.800000114.1A115 L210 Y211 R212 S216 L217 L218 F383A115-A214 HydrophobicContact CB-CB 4.4Å; L210-A214 VanDerWaalsContact O-CB 3.31Å; L210-A214 WeakPolarHBondContact O-CB 3.42Å; L210-A214 PolarHBondContact O-N 2.97Å; L210-A214 VanDerWaalsContact O-N 3.16Å; Y211-A214 PolarHBondContact O-N 2.67Å; Y211-A214 VanDerWaalsContact O-N 3.14Å; R212-A214 PolarHBondContact O-N 2.72Å; A214-S216 PolarHBondContact O-N 3Å; A214-L217 PolarHBondContact O-N 3.11Å; A214-L218 HydrophobicContact CB-CD1 3.93Å; A214-L218 HydrophobicContact CB-CG 4.16Å; A214-L218 WeakPolarHBondContact O-CG 3.47Å; A214-L218 PolarHBondContact O-N 2.99Å; A214-F383 HydrophobicContact CB-CE1 4.15Å; A214-F383 HydrophobicContact CB-CE2 4.1Å; A214-F383 HydrophobicContact CB-CZ 3.46Å; A214-F383 VanDerWaalsContact CB-CZ 3.46Å
215N89.7Confident89.8Confident74 Ų7438.5 Ų38.540%0.39620%0.202SC..G310 helixtrans-48.7-36-172.1-80.9-20.3000114.4Y211 R212 L217 L218Y211-N215 PolarHBondContact O-N 3.25Å; Y211-N215 PolarHBondContact O-OD1 2.68Å; R212-N215 WeakPolarHBondContact O-CB 3.38Å; R212-N215 PolarHBondContact O-N 3.05Å; R212-N215 PolarHBondContact O-ND2 3.29Å; N215-L217 PolarHBondContact O-N 2.94Å; N215-L218 PolarHBondContact O-N 2.74Å
216S88.3Confident89.8Confident34 Ų3439.9 Ų39.924%0.23820%0.203CC..G310 helixtrans-60.2-19.8178.264.50000115.1G118 A214G118-S216 PolarHBondContact O-OG 3.29Å; A214-S216 PolarHBondContact O-N 3Å
217L91.9Very high89.8Confident6 Ų640.8 Ų40.83%0.03121%0.207CC..G310 helixtrans-108.3-17.8-179.4-58-176.1000113.7W117 W121 A214 N215 L398 W402 F601W117-L217 HydrophobicContact CB-CD1 3.87Å; W121-L217 HydrophobicContact CB-CD2 4.32Å; W121-L217 HydrophobicContact CD2-CD2 4.21Å; W121-L217 HydrophobicContact CE3-CD2 4.17Å; W121-L217 HydrophobicContact CG-CD2 4.29Å; A214-L217 PolarHBondContact O-N 3.11Å; N215-L217 PolarHBondContact O-N 2.94Å; L217-L398 HydrophobicContact CD1-CD2 4.48Å; L217-W402 HydrophobicContact CD2-CH2 4.23Å; L217-W402 HydrophobicContact CD2-CZ2 3.78Å; L217-W402 PolarHBondContact O-NE1 2.97Å; L217-F601 HydrophobicContact CD2-CE2 4.25Å; L217-F601 HydrophobicContact CD2-CZ 4.18Å
218L89.8Confident89.7Confident27 Ų2745.8 Ų45.814%0.14123%0.227CC..SBendtrans-83.2172.9-175.1-57.1-178.4000112.1Y211 A214 N215 F383Y211-L218 HydrophobicContact CD2-CD1 3.56Å; Y211-L218 HydrophobicContact CE2-CD1 3.52Å; A214-L218 HydrophobicContact CB-CD1 3.93Å; A214-L218 HydrophobicContact CB-CG 4.16Å; A214-L218 WeakPolarHBondContact O-CG 3.47Å; A214-L218 PolarHBondContact O-N 2.99Å; N215-L218 PolarHBondContact O-N 2.74Å; L218-F383 HydrophobicContact CD1-CD2 3.76Å; L218-F383 HydrophobicContact CD1-CE2 3.58Å; L218-F383 HydrophobicContact CD1-CZ 4.26Å; L218-F383 HydrophobicContact CD2-CD2 4.26Å; L218-F383 HydrophobicContact CD2-CE2 3.68Å; L218-F383 HydrophobicContact CG-CE2 4.23Å
219T83.7Confident89.7Confident28 Ų2846.2 Ų46.217%0.17223%0.228CC..  trans-97.7146.1174.1-172.30000108.8L221 P380 E405T219-L221 VanDerWaalsContact C-N 3.27Å; T219-L221 HydrophobicContact CG2-CB 4.36Å; T219-L221 WeakPolarHBondContact OG1-CG 3.38Å; T219-L221 PolarHBondContact OG1-N 3.08Å; T219-P380 HydrophobicContact CG2-CB 4.47Å; T219-P380 HydrophobicContact CG2-CG 3.81Å; T219-E405 VanDerWaalsContact CB-OE1 3.25Å; T219-E405 WeakPolarHBondContact CB-OE1 3.28Å; T219-E405 PolarHBondContact OG1-OE1 3.36Å
220D82.7Confident89.7Confident117 Ų11745.6 Ų45.663%0.62622%0.224SC*.  trans-85.3-6.5175.9-57.2-41.7000112
221L85.2Confident89.6Confident50 Ų5047.3 Ų47.326%0.26223%0.234SC..  trans-72.3122.9-179-59.7174000111.4T219 Y226 F227 E405T219-L221 VanDerWaalsContact C-N 3.27Å; T219-L221 HydrophobicContact CG2-CB 4.36Å; T219-L221 WeakPolarHBondContact OG1-CG 3.38Å; T219-L221 PolarHBondContact OG1-N 3.08Å; L221-Y226 HydrophobicContact CD1-CD1 3.47Å; L221-Y226 VanDerWaalsContact CD1-CD1 3.47Å; L221-Y226 HydrophobicContact CD1-CD2 4.26Å; L221-Y226 HydrophobicContact CD1-CE1 4.02Å; L221-Y226 HydrophobicContact CD1-CG 3.62Å; L221-Y226 HydrophobicContact CD2-CD1 4.43Å; L221-Y226 HydrophobicContact CD2-CD2 3.7Å; L221-Y226 HydrophobicContact CD2-CE2 4.32Å; L221-Y226 HydrophobicContact CD2-CG 3.76Å; L221-Y226 HydrophobicContact CG-CG 4.36Å; L221-F227 HydrophobicContact CD1-CE2 4.33Å; L221-F227 HydrophobicContact CD1-CZ 3.99Å; L221-E405 HydrophobicContact CD1-CG 3.97Å
222V86.2Confident89.6Confident53 Ų5348.3 Ų48.332%0.32124%0.241SC..  trans-94.1-22.2178.2-65.70000113.3V309 F311V222-V309 HydrophobicContact CG2-CB 4.48Å; V222-F311 HydrophobicContact CG1-CD1 4.24Å
223D87.7Confident89.7Confident36 Ų3648 Ų4819%0.19324%0.242CC..SBendtrans-122.7161.4179.577.613.2000113.2N225 V309D223-N225 VanDerWaalsContact C-N 3.3Å; D223-N225 WeakPolarHBondContact OD1-CB 3.46Å; D223-N225 PolarHBondContact OD1-N 2.93Å; D223-N225 PolarHBondContact OD2-ND2 3.01Å; D223-V309 HydrophobicContact CB-CB 4.2Å; D223-V309 HydrophobicContact CB-CG2 4.03Å
224D88.3Confident89.8Confident110 Ų11047.4 Ų47.459%0.58824%0.239SC*.SBendtrans-85.2-4.1177.9-82.4-30.4000112.5Y226 F227D224-Y226 PolarHBondContact O-N 3.19Å; D224-F227 WeakPolarHBondContact O-CB 3.46Å; D224-F227 PolarHBondContact O-N 3.5Å
225N90.4Very high89.8Confident29 Ų2947.5 Ų47.516%0.15524%0.24CC..G310 helixtrans-63.3-30.5-177.8-72.6-47.1000112.5D223 F227 Y228 H305 T306 N308D223-N225 VanDerWaalsContact C-N 3.3Å; D223-N225 WeakPolarHBondContact OD1-CB 3.46Å; D223-N225 PolarHBondContact OD1-N 2.93Å; D223-N225 PolarHBondContact OD2-ND2 3.01Å; N225-F227 PolarHBondContact O-N 3.47Å; N225-F227 VanDerWaalsContact O-N 3.13Å; N225-Y228 WeakPolarHBondContact O-CB 3.41Å; N225-Y228 PolarHBondContact O-N 2.79Å; N225-H305 PolarHBondContact OD1-CE1 2.97Å; N225-H305 VanDerWaalsContact OD1-CE1 3.26Å; N225-H305 PolarHBondContact OD1-ND1 3.21Å; N225-T306 VanDerWaalsContact CG-O 3.31Å; N225-T306 PolarHBondContact ND2-O 3.3Å; N225-T306 PolarHBondContact ND2-OG1 2.91Å; N225-T306 PolarHBondContact OD1-N 3.07Å; N225-T306 PolarHBondContact OD1-O 3.11Å; N225-T306 PolarHBondContact OD1-OG1 3.25Å; N225-N308 PolarHBondContact ND2-OD1 3.25Å
226Y89.9Confident90.1Very high87 Ų8745.1 Ų45.134%0.34123%0.226SC..G310 helixtrans-53.7-31.1171.5-177.3-88.8000113L221 D224 Y228 E405 H406L221-Y226 HydrophobicContact CD1-CD1 3.47Å; L221-Y226 VanDerWaalsContact CD1-CD1 3.47Å; L221-Y226 HydrophobicContact CD1-CD2 4.26Å; L221-Y226 HydrophobicContact CD1-CE1 4.02Å; L221-Y226 HydrophobicContact CD1-CG 3.62Å; L221-Y226 HydrophobicContact CD2-CD1 4.43Å; L221-Y226 HydrophobicContact CD2-CD2 3.7Å; L221-Y226 HydrophobicContact CD2-CE2 4.32Å; L221-Y226 HydrophobicContact CD2-CG 3.76Å; L221-Y226 HydrophobicContact CG-CG 4.36Å; D224-Y226 PolarHBondContact O-N 3.19Å; Y226-Y228 VanDerWaalsContact C-N 3.29Å; Y226-Y228 PolarHBondContact O-N 3.3Å; Y226-E405 HydrophobicContact CE1-CB 4.02Å; Y226-E405 HydrophobicContact CE1-CG 4.12Å; Y226-H406 AromaticContact CE1-ND1 3.67Å; Y226-H406 AromaticContact CZ-ND1 3.67Å; Y226-H406 WeakPolarHBondContact OH-CB 3.4Å; Y226-H406 PolarHBondContact OH-N 3.27Å; Y226-H406 PolarHBondContact OH-ND1 2.95Å
227F92.1Very high90.3Very high26 Ų2643.5 Ų43.511%0.11421%0.214CC..G310 helixtrans-86.312.1-179.7-59.1-67.9000113.9L221 D224 N225 L229 F230 D231 R404 E405L221-F227 HydrophobicContact CD1-CE2 4.33Å; L221-F227 HydrophobicContact CD1-CZ 3.99Å; D224-F227 WeakPolarHBondContact O-CB 3.46Å; D224-F227 PolarHBondContact O-N 3.5Å; N225-F227 PolarHBondContact O-N 3.47Å; N225-F227 VanDerWaalsContact O-N 3.13Å; F227-L229 PolarHBondContact O-N 2.86Å; F227-F230 CarbonylContact O-C 3.57Å; F227-F230 WeakPolarHBondContact O-CA 3.44Å; F227-F230 PolarHBondContact O-N 3.45Å; F227-D231 PolarHBondContact O-N 3.37Å; F227-D231 VanDerWaalsContact O-N 3.15Å; F227-R404 HydrophobicContact CE1-CB 4.31Å; F227-R404 WeakPolarHBondContact CE1-O 3.33Å; F227-E405 HydrophobicContact CE1-CG 4.28Å; F227-E405 HydrophobicContact CZ-CG 4.41Å
228Y91.3Very high90.3Very high108 Ų10843.3 Ų43.342%0.42421%0.214SC..THydrogen-bonded Turntrans-54.4127.2171.3178.2-115.1000110.7N225 Y226 F230N225-Y228 WeakPolarHBondContact O-CB 3.41Å; N225-Y228 PolarHBondContact O-N 2.79Å; Y226-Y228 VanDerWaalsContact C-N 3.29Å; Y226-Y228 PolarHBondContact O-N 3.3Å; Y228-F230 PolarHBondContact O-N 3Å
229L91.3Very high90.4Very high19 Ų1943.3 Ų43.310%0.09921%0.213CC..THydrogen-bonded Turntrans58.3-2.6-169.4-58.2176.5000116.3F227 S234 L245 E283 I286 A287F227-L229 PolarHBondContact O-N 2.86Å; L229-S234 WeakPolarHBondContact CA-OG 3.43Å; L229-S234 VanDerWaalsContact O-CB 3.3Å; L229-S234 WeakPolarHBondContact O-CB 3.32Å; L229-L245 HydrophobicContact CB-CD2 4.3Å; L229-L245 WeakPolarHBondContact O-CD1 3.45Å; L229-E283 HydrophobicContact CD1-CB 3.8Å; L229-E283 HydrophobicContact CD1-CG 4.2Å; L229-I286 HydrophobicContact CD2-CB 4.35Å; L229-I286 HydrophobicContact CD2-CG2 3.94Å; L229-A287 HydrophobicContact CD2-CB 3.98Å
230F92.6Very high90.7Very high9 Ų942.9 Ų42.94%0.03921%0.212CC..SBendtrans-112.221.4179.4-141.5-108.9000112.7F227 Y228 F235 R404 H406 L423F227-F230 CarbonylContact O-C 3.57Å; F227-F230 WeakPolarHBondContact O-CA 3.44Å; F227-F230 PolarHBondContact O-N 3.45Å; Y228-F230 PolarHBondContact O-N 3Å; F230-F235 HydrophobicContact CB-CZ 4.44Å; F230-F235 HydrophobicContact CD1-CZ 4.04Å; F230-F235 AromaticContact CD2-CE1 3.99Å; F230-F235 HydrophobicContact CD2-CE1 3.99Å; F230-F235 AromaticContact CD2-CZ 3.68Å; F230-F235 HydrophobicContact CD2-CZ 3.68Å; F230-F235 HydrophobicContact CE1-CZ 4.2Å; F230-F235 HydrophobicContact CE2-CE1 4.15Å; F230-F235 AromaticContact CE2-CZ 3.85Å; F230-F235 HydrophobicContact CE2-CZ 3.85Å; F230-F235 HydrophobicContact CG-CE1 4.49Å; F230-F235 AromaticContact CG-CZ 3.79Å; F230-F235 HydrophobicContact CG-CZ 3.79Å; F230-F235 HydrophobicContact CZ-CZ 4.12Å; F230-F235 WeakPolarHBondContact O-CE2 3.5Å; F230-R404 WeakPolarHBondContact CD1-O 3.5Å; F230-R404 WeakPolarHBondContact CE1-O 3.38Å; F230-H406 AromaticContact CD2-CD2 3.88Å; F230-H406 AromaticContact CD2-CE1 3.74Å; F230-H406 AromaticContact CD2-NE2 3.23Å; F230-H406 WeakPolarHBondContact CD2-NE2 3.43Å; F230-H406 AromaticContact CE2-CD2 3.72Å; F230-H406 AromaticContact CE2-NE2 3.57Å; F230-H406 AromaticContact CG-CE1 3.57Å; F230-H406 AromaticContact CG-NE2 3.58Å; F230-H406 AromaticContact CZ-CD2 3.98Å; F230-L423 HydrophobicContact CE1-CD1 3.74Å; F230-L423 HydrophobicContact CE1-CD2 4.33Å; F230-L423 HydrophobicContact CE2-CD1 4.35Å; F230-L423 HydrophobicContact CZ-CD1 3.39Å
231D91.5Very high90.9Very high37 Ų3738.9 Ų38.920%0.19819%0.19CC..SBendtrans-96.1175.717787.1-46.7000112.3F227 K233 S234 F235F227-D231 PolarHBondContact O-N 3.37Å; F227-D231 VanDerWaalsContact O-N 3.15Å; D231-K233 PolarHBondContact O-N 3.39Å; D231-K233 VanDerWaalsContact OD2-CB 3.27Å; D231-K233 WeakPolarHBondContact OD2-CB 3.35Å; D231-K233 WeakPolarHBondContact OD2-CG 3.4Å; D231-K233 PolarHBondContact OD2-N 2.78Å; D231-S234 WeakPolarHBondContact OD1-CB 3.25Å; D231-S234 PolarHBondContact OD1-N 3.13Å; D231-S234 PolarHBondContact OD1-OG 3.18Å; D231-F235 WeakPolarHBondContact O-CD2 3.39Å; D231-F235 WeakPolarHBondContact O-CG 3.49Å; D231-F235 PolarHBondContact O-N 3.09Å
232L92.9Very high91Very high54 Ų5440.5 Ų40.528%0.28320%0.199SC..Hα-helixtrans-65-36.3-179.7-81.2174.6000113.2F235 F236 F426 V427 A430L232-F235 PolarHBondContact O-N 2.69Å; L232-F236 HydrophobicContact CB-CZ 4.39Å; L232-F236 HydrophobicContact CD2-CE1 4.31Å; L232-F236 HydrophobicContact CD2-CZ 4.34Å; L232-F236 WeakPolarHBondContact O-CD1 3.26Å; L232-F236 WeakPolarHBondContact O-CG 3.24Å; L232-F236 PolarHBondContact O-N 3.08Å; L232-F426 HydrophobicContact CD1-CE1 4.26Å; L232-F426 HydrophobicContact CD1-CZ 3.84Å; L232-F426 HydrophobicContact CD2-CD1 3.86Å; L232-F426 HydrophobicContact CD2-CE1 3.32Å; L232-F426 HydrophobicContact CD2-CE2 4.49Å; L232-F426 HydrophobicContact CD2-CZ 3.69Å; L232-F426 HydrophobicContact CG-CE1 3.69Å; L232-F426 HydrophobicContact CG-CZ 3.8Å; L232-V427 HydrophobicContact CD2-CG2 4.34Å; L232-A430 HydrophobicContact CD1-CB 4.06Å; L232-A430 HydrophobicContact CD2-CB 3.79Å
233K93Very high91Very high91 Ų9139.2 Ų39.240%0.39619%0.191SC..Hα-helixtrans-69.2-45.2-175.8-59.7-68.5179.8166.80110.4D231 F235 F236 T237 H300 L301D231-K233 PolarHBondContact O-N 3.39Å; D231-K233 VanDerWaalsContact OD2-CB 3.27Å; D231-K233 WeakPolarHBondContact OD2-CB 3.35Å; D231-K233 WeakPolarHBondContact OD2-CG 3.4Å; D231-K233 PolarHBondContact OD2-N 2.78Å; K233-F235 VanDerWaalsContact C-N 3.3Å; K233-F235 PolarHBondContact O-N 2.72Å; K233-F236 PolarHBondContact O-N 3.04Å; K233-F236 VanDerWaalsContact O-N 3.1Å; K233-T237 PolarHBondContact O-N 2.84Å; K233-T237 PolarHBondContact O-OG1 2.93Å; K233-T237 VanDerWaalsContact O-OG1 3.11Å; K233-H300 HydrophobicContact CB-CB 4.43Å; K233-H300 HydrophobicContact CD-CB 4.03Å; K233-L301 WeakPolarHBondContact CB-O 3.3Å
234S93.5Very high90.9Very high1 Ų139.3 Ų39.31%0.00720%0.197CC..Hα-helixtrans-59.6-40.4175.6-56.60000111.7L229 D231 T237 A238L229-S234 WeakPolarHBondContact CA-OG 3.43Å; L229-S234 VanDerWaalsContact O-CB 3.3Å; L229-S234 WeakPolarHBondContact O-CB 3.32Å; D231-S234 WeakPolarHBondContact OD1-CB 3.25Å; D231-S234 PolarHBondContact OD1-N 3.13Å; D231-S234 PolarHBondContact OD1-OG 3.18Å; S234-T237 PolarHBondContact O-N 3.46Å; S234-A238 WeakPolarHBondContact O-CB 3.4Å; S234-A238 PolarHBondContact O-N 3.39Å
235F94.6Very high90.9Very high2 Ų234.7 Ų34.71%0.00917%0.172CC..Hα-helixtrans-68.4-34.1174.7-64.3-38.5000114.2F230 D231 L232 K233 K239 L245 P249 L423 V427F230-F235 HydrophobicContact CB-CZ 4.44Å; F230-F235 HydrophobicContact CD1-CZ 4.04Å; F230-F235 AromaticContact CD2-CE1 3.99Å; F230-F235 HydrophobicContact CD2-CE1 3.99Å; F230-F235 AromaticContact CD2-CZ 3.68Å; F230-F235 HydrophobicContact CD2-CZ 3.68Å; F230-F235 HydrophobicContact CE1-CZ 4.2Å; F230-F235 HydrophobicContact CE2-CE1 4.15Å; F230-F235 AromaticContact CE2-CZ 3.85Å; F230-F235 HydrophobicContact CE2-CZ 3.85Å; F230-F235 HydrophobicContact CG-CE1 4.49Å; F230-F235 AromaticContact CG-CZ 3.79Å; F230-F235 HydrophobicContact CG-CZ 3.79Å; F230-F235 HydrophobicContact CZ-CZ 4.12Å; F230-F235 WeakPolarHBondContact O-CE2 3.5Å; D231-F235 WeakPolarHBondContact O-CD2 3.39Å; D231-F235 WeakPolarHBondContact O-CG 3.49Å; D231-F235 PolarHBondContact O-N 3.09Å; L232-F235 PolarHBondContact O-N 2.69Å; K233-F235 VanDerWaalsContact C-N 3.3Å; K233-F235 PolarHBondContact O-N 2.72Å; F235-K239 WeakPolarHBondContact O-CB 3.31Å; F235-K239 PolarHBondContact O-N 3.29Å; F235-L245 HydrophobicContact CD1-CD1 3.94Å; F235-L245 HydrophobicContact CE1-CD1 3.8Å; F235-P249 HydrophobicContact CD1-CG 4.05Å; F235-P249 VanDerWaalsContact CE1-CD 3.49Å; F235-P249 HydrophobicContact CE1-CG 4.43Å; F235-P249 HydrophobicContact CG-CG 4.22Å; F235-L423 HydrophobicContact CE2-CD2 4.1Å; F235-L423 HydrophobicContact CZ-CD1 4.5Å; F235-L423 HydrophobicContact CZ-CD2 4.39Å; F235-V427 HydrophobicContact CB-CG1 4.1Å; F235-V427 HydrophobicContact CB-CG2 3.59Å; F235-V427 HydrophobicContact CD2-CG2 3.54Å; F235-V427 HydrophobicContact CE2-CG2 4.48Å; F235-V427 HydrophobicContact CG-CG2 3.8Å
236F94.4Very high90.6Very high23 Ų2338.3 Ų38.310%0.10120%0.197CC..Hα-helixtrans-65.7-43.1173.5-63.7-18.3000111.1L232 K233 K239 A240 H300 V427 A430 L431L232-F236 HydrophobicContact CB-CZ 4.39Å; L232-F236 HydrophobicContact CD2-CE1 4.31Å; L232-F236 HydrophobicContact CD2-CZ 4.34Å; L232-F236 WeakPolarHBondContact O-CD1 3.26Å; L232-F236 WeakPolarHBondContact O-CG 3.24Å; L232-F236 PolarHBondContact O-N 3.08Å; K233-F236 PolarHBondContact O-N 3.04Å; K233-F236 VanDerWaalsContact O-N 3.1Å; F236-K239 WeakPolarHBondContact O-CB 3.41Å; F236-K239 PolarHBondContact O-N 3.39Å; F236-A240 WeakPolarHBondContact O-CB 3.46Å; F236-A240 PolarHBondContact O-N 3.39Å; F236-H300 HydrophobicContact CB-CB 4.45Å; F236-H300 AromaticContact CD2-CD2 3.78Å; F236-V427 HydrophobicContact CD1-CG1 3.82Å; F236-V427 HydrophobicContact CE1-CG1 3.85Å; F236-A430 HydrophobicContact CE1-CB 4.21Å; F236-A430 HydrophobicContact CZ-CB 3.83Å; F236-L431 HydrophobicContact CD1-CB 4.32Å; F236-L431 HydrophobicContact CD1-CD1 3.95Å; F236-L431 HydrophobicContact CE1-CB 3.8Å; F236-L431 HydrophobicContact CE1-CD1 4.1Å; F236-L431 HydrophobicContact CG-CD1 4.17Å; F236-L431 HydrophobicContact CZ-CB 4.32Å; F236-L431 HydrophobicContact CZ-CD1 4.46Å
237T93.5Very high90.4Very high0 Ų035.5 Ų35.50%020%0.195CC..Hα-helixtrans-61.5-47.9175-62.60000112K233 S234 K239 A240 L241 I286 P289 V299 H300K233-T237 PolarHBondContact O-N 2.84Å; K233-T237 PolarHBondContact O-OG1 2.93Å; K233-T237 VanDerWaalsContact O-OG1 3.11Å; S234-T237 PolarHBondContact O-N 3.46Å; T237-K239 VanDerWaalsContact C-N 3.29Å; T237-K239 PolarHBondContact O-N 2.96Å; T237-A240 PolarHBondContact O-N 3.24Å; T237-A240 VanDerWaalsContact O-N 3.11Å; T237-L241 HydrophobicContact CG2-CD1 3.78Å; T237-L241 HydrophobicContact CG2-CG 4.47Å; T237-L241 WeakPolarHBondContact O-CB 3.47Å; T237-L241 WeakPolarHBondContact O-CG 3.23Å; T237-L241 PolarHBondContact O-N 3.13Å; T237-I286 HydrophobicContact CG2-CB 4.42Å; T237-I286 HydrophobicContact CG2-CG2 4.11Å; T237-P289 HydrophobicContact CG2-CB 3.87Å; T237-P289 HydrophobicContact CG2-CG 4.35Å; T237-V299 HydrophobicContact CG2-CG1 3.38Å; T237-V299 WeakPolarHBondContact OG1-CG1 3.45Å; T237-H300 PolarHBondContact OG1-N 3.03Å; T237-H300 PolarHBondContact OG1-O 3.14Å
238A92.5Very high90.2Very high2 Ų234.3 Ų34.32%0.01719%0.19CC..Hα-helixtrans-57.4-43175.500000111.9S234 N242 V243 I286S234-A238 WeakPolarHBondContact O-CB 3.4Å; S234-A238 PolarHBondContact O-N 3.39Å; A238-N242 PolarHBondContact O-N 2.94Å; A238-N242 VanDerWaalsContact O-N 3.08Å; A238-V243 CarbonylContact C-O 3.57Å; A238-V243 HydrophobicContact CB-CG2 4.17Å; A238-V243 PolarHBondContact O-N 3.21Å; A238-V243 VanDerWaalsContact O-O 3.1Å; A238-I286 HydrophobicContact CB-CD1 3.84Å; A238-I286 HydrophobicContact CB-CG1 4.35Å
239K91.3Very high90.2Very high28 Ų2829.3 Ų29.312%0.12217%0.171CC..Hα-helixtrans-64.5-41.4175.5179.9-179175.9-57.30112.6F235 F236 T237 F251 L254 L431F235-K239 WeakPolarHBondContact O-CB 3.31Å; F235-K239 PolarHBondContact O-N 3.29Å; F236-K239 WeakPolarHBondContact O-CB 3.41Å; F236-K239 PolarHBondContact O-N 3.39Å; T237-K239 VanDerWaalsContact C-N 3.29Å; T237-K239 PolarHBondContact O-N 2.96Å; K239-F251 HydrophobicContact CB-CB 4.38Å; K239-F251 HydrophobicContact CB-CD2 3.51Å; K239-F251 HydrophobicContact CB-CE2 3.88Å; K239-F251 HydrophobicContact CB-CG 3.95Å; K239-F251 HydrophobicContact CD-CB 4.42Å; K239-F251 HydrophobicContact CD-CD1 3.83Å; K239-F251 HydrophobicContact CD-CD2 4.2Å; K239-F251 HydrophobicContact CD-CE1 4.11Å; K239-F251 HydrophobicContact CD-CE2 4.43Å; K239-F251 HydrophobicContact CD-CG 3.89Å; K239-F251 HydrophobicContact CD-CZ 4.41Å; K239-F251 HydrophobicContact CG-CB 3.79Å; K239-F251 HydrophobicContact CG-CD1 4.08Å; K239-F251 HydrophobicContact CG-CD2 3.74Å; K239-F251 HydrophobicContact CG-CE2 4.32Å; K239-F251 HydrophobicContact CG-CG 3.6Å; K239-L254 VanDerWaalsContact NZ-CD1 3.31Å; K239-L431 HydrophobicContact CD-CD2 3.66Å
240A90.1Very high90Very high18 Ų1835 Ų3515%0.14920%0.195CC..Hα-helixtrans-65.3-44.7-178.900000111.3F236 T237 N242 V299F236-A240 WeakPolarHBondContact O-CB 3.46Å; F236-A240 PolarHBondContact O-N 3.39Å; T237-A240 PolarHBondContact O-N 3.24Å; T237-A240 VanDerWaalsContact O-N 3.11Å; A240-N242 VanDerWaalsContact C-N 3.31Å; A240-N242 PolarHBondContact O-N 3.07Å; A240-V299 HydrophobicContact CB-CG2 4.02Å
241L87.5Confident89.8Confident34 Ų3436 Ų3618%0.17820%0.199CC..Hα-helixtrans-80.8-5.2-179.9-62.5173.8000114.2T237 V243 R285 N293 V299T237-L241 HydrophobicContact CG2-CD1 3.78Å; T237-L241 HydrophobicContact CG2-CG 4.47Å; T237-L241 WeakPolarHBondContact O-CB 3.47Å; T237-L241 WeakPolarHBondContact O-CG 3.23Å; T237-L241 PolarHBondContact O-N 3.13Å; L241-V243 VanDerWaalsContact C-N 3.3Å; L241-V243 HydrophobicContact CB-CG1 4.32Å; L241-V243 HydrophobicContact CB-CG2 4.05Å; L241-V243 PolarHBondContact O-N 3.43Å; L241-R285 WeakPolarHBondContact CD1-O 3.2Å; L241-N293 WeakPolarHBondContact CD1-ND2 3.49Å; L241-N293 HydrophobicContact CD2-CB 4.07Å; L241-V299 HydrophobicContact CD2-CG2 3.89Å; L241-V299 HydrophobicContact CG-CG2 4.08Å
242N86.7Confident89.1Confident83 Ų8340.6 Ų40.644%0.44422%0.22SC..THydrogen-bonded Turntrans5739.1-173.2-170.150000113.8A238 A240 P253A238-N242 PolarHBondContact O-N 2.94Å; A238-N242 VanDerWaalsContact O-N 3.08Å; A240-N242 VanDerWaalsContact C-N 3.31Å; A240-N242 PolarHBondContact O-N 3.07Å; N242-P253 HydrophobicContact CB-CB 4.39Å
243V86.6Confident88.3Confident27 Ų2740.2 Ų40.216%0.16422%0.22CC..  trans-112.5165174-59.90000110.7A238 L241 T282 I286A238-V243 CarbonylContact C-O 3.57Å; A238-V243 HydrophobicContact CB-CG2 4.17Å; A238-V243 PolarHBondContact O-N 3.21Å; A238-V243 VanDerWaalsContact O-O 3.1Å; L241-V243 VanDerWaalsContact C-N 3.3Å; L241-V243 HydrophobicContact CB-CG1 4.32Å; L241-V243 HydrophobicContact CB-CG2 4.05Å; L241-V243 PolarHBondContact O-N 3.43Å; V243-T282 HydrophobicContact CB-CG2 3.69Å; V243-T282 HydrophobicContact CG1-CG2 4.44Å; V243-T282 HydrophobicContact CG2-CG2 3.9Å; V243-I286 HydrophobicContact CG2-CD1 3.91Å; V243-I286 HydrophobicContact CG2-CG1 3.87Å
244A85.3Confident87.6Confident37 Ų3738.9 Ų38.931%0.30622%0.217SC..  trans-133.7133.5-178.800000111.4K250A244-K250 HydrophobicContact CB-CG 3.95Å
245L88.4Confident86.7Confident13 Ų1341.6 Ų41.67%0.06823%0.234CC..  trans-75.8149.5167.9-68.9156.7000110L229 F235 G247 G248 E283 I286L229-L245 HydrophobicContact CB-CD2 4.3Å; L229-L245 WeakPolarHBondContact O-CD1 3.45Å; F235-L245 HydrophobicContact CD1-CD1 3.94Å; F235-L245 HydrophobicContact CE1-CD1 3.8Å; L245-G247 VanDerWaalsContact C-N 3.34Å; L245-G247 PolarHBondContact O-N 2.78Å; L245-G248 PolarHBondContact O-N 3.4Å; L245-E283 HydrophobicContact CD2-CG 4.26Å; L245-I286 HydrophobicContact CD1-CD1 4.09Å; L245-I286 HydrophobicContact CD2-CD1 3.61Å; L245-I286 HydrophobicContact CG-CD1 3.56Å
246P84.1Confident85.3Confident105 Ų10548.7 Ų48.768%0.68226%0.264SS*.THydrogen-bonded Turntrans-53.2-43.7-177.4-29.135.7000114.7Q420P246-Q420 PolarHBondContact O-NE2 2.78Å
247G85.4Confident83.5Confident29 Ų2952.8 Ų52.830%0.29929%0.287SS..THydrogen-bonded Turntrans-92.1-3.9174.800000114.8L245L245-G247 VanDerWaalsContact C-N 3.34Å; L245-G247 PolarHBondContact O-N 2.78Å
248G86.9Confident81.5Confident1 Ų160.1 Ų60.11%0.0132%0.319CS..SBendtrans-88.5173.2-167.400000115.3L245L245-G248 PolarHBondContact O-N 3.4Å
249P91.6Very high79.6Confident3 Ų365 Ų652%0.01935%0.349CS..PPolyproline II helixtrans-77.3142.4176.529.6-31.2000112.8F235 F251 L423 K424 V427F235-P249 HydrophobicContact CD1-CG 4.05Å; F235-P249 VanDerWaalsContact CE1-CD 3.49Å; F235-P249 HydrophobicContact CE1-CG 4.43Å; F235-P249 HydrophobicContact CG-CG 4.22Å; P249-F251 HydrophobicContact CB-CE2 3.9Å; P249-F251 HydrophobicContact CB-CZ 3.86Å; P249-F251 HydrophobicContact CG-CE2 3.7Å; P249-F251 HydrophobicContact CG-CZ 3.83Å; P249-L423 HydrophobicContact CB-CB 4.39Å; P249-L423 HydrophobicContact CG-CB 4.32Å; P249-K424 HydrophobicContact CB-CB 3.67Å; P249-K424 HydrophobicContact CB-CG 4.34Å; P249-V427 HydrophobicContact CG-CG2 4.07Å
250K87.9Confident77.7Confident138 Ų13868.4 Ų68.460%0.637%0.368SS*.PPolyproline II helixtrans-97.4140.8173.6-59.1-174.9-179.8-175.90112.2A244 K424A244-K250 HydrophobicContact CB-CG 3.95Å; K250-K424 WeakPolarHBondContact O-CD 3.26Å; K250-K424 VanDerWaalsContact O-CE 3.26Å; K250-K424 WeakPolarHBondContact O-CE 3.39Å; K250-K424 PolarHBondContact O-NZ 3.32Å
251F88Confident76Confident30 Ų3074.4 Ų74.413%0.13239%0.393CS..  trans-124.4179.2-177.6-62.6-80.6000113.3K239 P249 K424 V427 L428K239-F251 HydrophobicContact CB-CB 4.38Å; K239-F251 HydrophobicContact CB-CD2 3.51Å; K239-F251 HydrophobicContact CB-CE2 3.88Å; K239-F251 HydrophobicContact CB-CG 3.95Å; K239-F251 HydrophobicContact CD-CB 4.42Å; K239-F251 HydrophobicContact CD-CD1 3.83Å; K239-F251 HydrophobicContact CD-CD2 4.2Å; K239-F251 HydrophobicContact CD-CE1 4.11Å; K239-F251 HydrophobicContact CD-CE2 4.43Å; K239-F251 HydrophobicContact CD-CG 3.89Å; K239-F251 HydrophobicContact CD-CZ 4.41Å; K239-F251 HydrophobicContact CG-CB 3.79Å; K239-F251 HydrophobicContact CG-CD1 4.08Å; K239-F251 HydrophobicContact CG-CD2 3.74Å; K239-F251 HydrophobicContact CG-CE2 4.32Å; K239-F251 HydrophobicContact CG-CG 3.6Å; P249-F251 HydrophobicContact CB-CE2 3.9Å; P249-F251 HydrophobicContact CB-CZ 3.86Å; P249-F251 HydrophobicContact CG-CE2 3.7Å; P249-F251 HydrophobicContact CG-CZ 3.83Å; F251-K424 HydrophobicContact CD1-CG 4.38Å; F251-K424 HydrophobicContact CE1-CD 4.47Å; F251-K424 HydrophobicContact CE1-CG 3.75Å; F251-K424 HydrophobicContact CZ-CG 4.24Å; F251-V427 HydrophobicContact CE1-CG1 4.33Å; F251-V427 HydrophobicContact CE2-CG1 4.25Å; F251-V427 HydrophobicContact CZ-CB 3.91Å; F251-V427 HydrophobicContact CZ-CG1 3.57Å; F251-L428 HydrophobicContact CD1-CD2 4.33Å; F251-L428 HydrophobicContact CE1-CD2 3.94Å; F251-L428 HydrophobicContact CE1-CG 4.03Å
252E76.2Confident74.5Confident134 Ų13477.6 Ų77.663%0.62641%0.41SS*.  trans-87.8150.6167.1-68.1-76.1149.500108.9L254 K256E252-L254 PolarHBondContact O-N 2.87Å; E252-K256 IonicContact OE2-NZ 3.51Å
253P77.2Confident73.1Confident46 Ų4678 Ų7830%0.29941%0.409SS..  trans-55.6130.2173.8-18.827.3000110.6N242 V255 K256N242-P253 HydrophobicContact CB-CB 4.39Å; P253-V255 WeakPolarHBondContact CB-O 3.46Å; P253-K256 HydrophobicContact CB-CG 4.38Å
254L78Confident71.7Confident62 Ų6282.3 Ų82.333%0.32543%0.432SS..SBendtrans-71-41178.5-171.6115.5000111.3K239 E252 Q298K239-L254 VanDerWaalsContact NZ-CD1 3.31Å; E252-L254 PolarHBondContact O-N 2.87Å; L254-Q298 HydrophobicContact CD2-CB 4.47Å; L254-Q298 HydrophobicContact CD2-CG 4.33Å; L254-Q298 VanDerWaalsContact CD2-OE1 3.22Å
255V74.2Confident70.5Confident59 Ų5988.6 Ų88.636%0.35845%0.447SS..  trans-108.9132.2172.1-174.30000108.1P253 D257P253-V255 WeakPolarHBondContact CB-O 3.46Å; V255-D257 HydrophobicContact CG1-CB 4.25Å
256K64.7Low69.3Low151 Ų15192.1 Ų92.166%0.65747%0.466SS*.  trans-113.88-178.5-70.7-170.8176.2-169.20113.2E252 P253 K258E252-K256 IonicContact OE2-NZ 3.51Å; P253-K256 HydrophobicContact CB-CG 4.38Å; K256-K258 PolarHBondContact O-N 3.48Å
257D56.6Low68.5Low109 Ų10993.3 Ų93.358%0.58346%0.463SS*.  trans-68133.9-169.1-77.1-31000112.2V255 T259 L260V255-D257 HydrophobicContact CG1-CB 4.25Å; D257-T259 PolarHBondContact O-N 3.49Å; D257-T259 VanDerWaalsContact O-N 3.16Å; D257-L260 PolarHBondContact O-N 2.9Å
258K52.1Low67.6Low154 Ų154101.4 Ų101.467%0.6749%0.49SS*.G310 helixtrans-60.3-19.8179.2-74.5-176.2167-160.60113.2K256 L260 E261 D262K256-K258 PolarHBondContact O-N 3.48Å; K258-L260 PolarHBondContact O-N 3.28Å; K258-L260 VanDerWaalsContact O-N 3.14Å; K258-E261 WeakPolarHBondContact O-CA 3.47Å; K258-E261 WeakPolarHBondContact O-CB 3.14Å; K258-E261 PolarHBondContact O-N 3.1Å; K258-D262 PolarHBondContact O-N 3.39Å
259T52.1Low66.6Low103 Ų103102.4 Ų102.463%0.63250%0.495SS*.G310 helixtrans-58.3-27.3-179.741.50000112.9D257 E261 D262D257-T259 PolarHBondContact O-N 3.49Å; D257-T259 VanDerWaalsContact O-N 3.16Å; T259-E261 VanDerWaalsContact C-N 3.33Å; T259-D262 PolarHBondContact O-N 2.79Å
260L51.8Low65.6Low100 Ų100103.9 Ų103.952%0.52450%0.503SS..G310 helixtrans-71.8-23.6172.7-74.3160.3000113.3D257 K258 Y295D257-L260 PolarHBondContact O-N 2.9Å; K258-L260 PolarHBondContact O-N 3.28Å; K258-L260 VanDerWaalsContact O-N 3.14Å; L260-Y295 HydrophobicContact CD2-CD2 4.42Å
261E55Low65Low144 Ų14499.2 Ų99.267%0.67348%0.484SS*.THydrogen-bonded Turntrans-77.9-27.7173.8-68.2-175.3161.800111.8K258 T259 K1318K258-E261 WeakPolarHBondContact O-CA 3.47Å; K258-E261 WeakPolarHBondContact O-CB 3.14Å; K258-E261 PolarHBondContact O-N 3.1Å; T259-E261 VanDerWaalsContact C-N 3.33Å; E261-K1318 PolarHBondContact O-NZ 2.94Å
262D55.3Low64.5Low102 Ų102104.3 Ų104.355%0.54551%0.513SS..  trans-95.115.6-175.3-68.6-33.6000114.3K258 T259 D264K258-D262 PolarHBondContact O-N 3.39Å; T259-D262 PolarHBondContact O-N 2.79Å; D262-D264 PolarHBondContact O-N 3.38Å; D262-D264 VanDerWaalsContact O-N 3.09Å
263E57.7Low64.8Low90 Ų90103.9 Ų103.942%0.42151%0.509SS..PPolyproline II helixtrans-56.9120.5175.2-140.1179-149.300109R1108E263-R1108 PolarHBondContact O-NH2 2.84Å
264D56.3Low64.8Low119 Ų119104 Ų10464%0.63651%0.506SS*.PPolyproline II helixtrans-71.7168.6-175.3-77.1-41.1000112.1D262 N266 N269 R1108D262-D264 PolarHBondContact O-N 3.38Å; D262-D264 VanDerWaalsContact O-N 3.09Å; D264-N266 PolarHBondContact O-N 3.34Å; D264-N269 PolarHBondContact O-ND2 3.5Å; D264-R1108 PolarHBondContact O-NH1 3.34Å; D264-R1108 PolarHBondContact O-NH2 2.8Å
265W60.2Low65.2Low168 Ų168108.7 Ų108.764%0.63653%0.53SS*.PPolyproline II helixtrans-71116.4172.9179.264.2000108.9
266N63.2Low65.4Low87 Ų87110.2 Ų110.247%0.46554%0.535SS..  trans-124.4149.3177.9-67.12.8000107.1D264 F268 N269D264-N266 PolarHBondContact O-N 3.34Å; N266-F268 PolarHBondContact O-N 3.39Å; N266-N269 PolarHBondContact N-OD1 3.21Å; N266-N269 PolarHBondContact O-N 3.35Å; N266-N269 PolarHBondContact O-OD1 2.73Å
267E67.7Low66.4Low131 Ų131113.3 Ų113.361%0.61254%0.543SS*.G310 helixtrans-56.3-27.1-178.8-64.7-168.7-163.900114.2N269 D270 K273E267-N269 VanDerWaalsContact C-N 3.3Å; E267-N269 PolarHBondContact O-N 2.91Å; E267-D270 PolarHBondContact O-N 2.89Å; E267-K273 IonicContact OE2-NZ 3.34Å; E267-K273 PolarHBondContact OE2-NZ 3.18Å
268F66.7Low67.7Low199 Ų199114.5 Ų114.587%0.87355%0.545SS*.G310 helixtrans-67.3-25.1177.8-80.4-77.4000114.9N266N266-F268 PolarHBondContact O-N 3.39Å
269N66.4Low69.2Low22 Ų22111.3 Ų111.312%0.11854%0.54CS..G310 helixtrans-104.718.4-17866.125.8000112.2D264 N266 E267 R1108 Q1319D264-N269 PolarHBondContact O-ND2 3.5Å; N266-N269 PolarHBondContact N-OD1 3.21Å; N266-N269 PolarHBondContact O-N 3.35Å; N266-N269 PolarHBondContact O-OD1 2.73Å; E267-N269 VanDerWaalsContact C-N 3.3Å; E267-N269 PolarHBondContact O-N 2.91Å; N269-R1108 PolarHBondContact ND2-NH1 2.89Å; N269-R1108 PolarHBondContact OD1-NH1 2.92Å; N269-Q1319 PolarHBondContact O-NE2 3.11Å; N269-Q1319 PolarHBondContact O-OE1 3.39Å
270D70.2Confident70.8Confident34 Ų34109.8 Ų109.818%0.18253%0.527CS..  trans-75.6128.6170.7-172.5-0.5000110.9E267 N272 K273 I274E267-D270 PolarHBondContact O-N 2.89Å; D270-N272 PolarHBondContact O-N 3.41Å; D270-N272 PolarHBondContact OD1-N 3.12Å; D270-N272 VanDerWaalsContact OD1-N 3.12Å; D270-N272 PolarHBondContact OD1-ND2 3.15Å; D270-K273 HydrophobicContact CB-CB 4.45Å; D270-K273 HydrophobicContact CB-CG 4.25Å; D270-K273 PolarHBondContact O-N 3.07Å; D270-K273 VanDerWaalsContact O-N 3.13Å; D270-I274 WeakPolarHBondContact O-CG1 3.2Å; D270-I274 PolarHBondContact O-N 3.04Å
271I74.7Confident72.4Confident39 Ų39111.1 Ų111.120%0.253%0.525CS..G310 helixtrans-60.6-33.1178.6-169.661.4000111.6K273 I274 I276 W1316 T1320I271-K273 PolarHBondContact O-N 3.16Å; I271-I274 PolarHBondContact O-N 3.26Å; I271-I276 HydrophobicContact CD1-CD1 3.78Å; I271-W1316 HydrophobicContact CD1-CE3 3.97Å; I271-W1316 HydrophobicContact CD1-CZ3 4.12Å; I271-T1320 HydrophobicContact CB-CG2 4.09Å; I271-T1320 HydrophobicContact CG1-CG2 4.01Å; I271-T1320 HydrophobicContact CG2-CG2 3.72Å
272N78Confident74Confident138 Ų138106.6 Ų106.674%0.73851%0.507SS*.G310 helixtrans-69.8-19.4-178.8-60.7-43.1000112.5D270D270-N272 PolarHBondContact O-N 3.41Å; D270-N272 PolarHBondContact OD1-N 3.12Å; D270-N272 VanDerWaalsContact OD1-N 3.12Å; D270-N272 PolarHBondContact OD1-ND2 3.15Å
273K81.8Confident75.7Confident125 Ų125103.5 Ų103.554%0.54349%0.49SS..G310 helixtrans-100-3.2178.5-60.3-170.6-177.7-175.90113E267 D270 I271E267-K273 IonicContact OE2-NZ 3.34Å; E267-K273 PolarHBondContact OE2-NZ 3.18Å; D270-K273 HydrophobicContact CB-CB 4.45Å; D270-K273 HydrophobicContact CB-CG 4.25Å; D270-K273 PolarHBondContact O-N 3.07Å; D270-K273 VanDerWaalsContact O-N 3.13Å; I271-K273 PolarHBondContact O-N 3.16Å
274I78.5Confident77.4Confident48 Ų48103.5 Ų103.525%0.24649%0.487CS..  trans-108.8116.5-176.7-63.1167.7000110.7D270 I271 I276 W1316D270-I274 WeakPolarHBondContact O-CG1 3.2Å; D270-I274 PolarHBondContact O-N 3.04Å; I271-I274 PolarHBondContact O-N 3.26Å; I274-I276 HydrophobicContact CG2-CG1 4.15Å; I274-I276 PolarHBondContact O-N 2.97Å; I274-W1316 HydrophobicContact CD1-CH2 3.92Å; I274-W1316 HydrophobicContact CD1-CZ3 3.9Å; I274-W1316 HydrophobicContact CG2-CH2 4.03Å
275I85.4Confident79Confident160 Ų160100.6 Ų100.682%0.82147%0.467SS*.  trans-80.6103.5175.2-56.2174.4000109.7R277I275-R277 HydrophobicContact CG2-CB 4.48Å; I275-R277 PolarHBondContact O-N 3.5Å; I275-R277 VanDerWaalsContact O-N 3.16Å
276I78.6Confident80.5Confident91 Ų9192.6 Ų92.647%0.46744%0.436SS..  trans-86.181.3174-53.5178.7000109.5I271 I274 W1316I271-I276 HydrophobicContact CD1-CD1 3.78Å; I274-I276 HydrophobicContact CG2-CG1 4.15Å; I274-I276 PolarHBondContact O-N 2.97Å; I276-W1316 HydrophobicContact CD1-CD2 4.3Å; I276-W1316 HydrophobicContact CD1-CH2 4.41Å; I276-W1316 HydrophobicContact CD1-CZ2 3.96Å; I276-W1316 HydrophobicContact CG1-CZ2 4.39Å
277R85.1Confident81.9Confident216 Ų21688.9 Ų88.982%0.81542%0.418SS*.SBendtrans-81.9-37.5175-171.762.5176.2178.51.6112.8I275I275-R277 HydrophobicContact CG2-CB 4.48Å; I275-R277 PolarHBondContact O-N 3.5Å; I275-R277 VanDerWaalsContact O-N 3.16Å
278Q85.7Confident83.1Confident135 Ų13587.1 Ų87.163%0.63141%0.409SS*.SBendtrans-141.5139.7178.1-70.8-66.6-26.600108.5I280Q278-I280 PolarHBondContact O-N 2.9Å
279P82.8Confident84.4Confident87 Ų8777.8 Ų77.857%0.56537%0.368SS*.  trans-67.9132.2176.328.2-33000109.8R281P279-R281 PolarHBondContact O-N 2.68Å
280I85.4Confident85.6Confident70 Ų7083.4 Ų83.436%0.35939%0.388SS..  trans-69.695.2173.9-56.4-54.8000109Q278 R285 Y292Q278-I280 PolarHBondContact O-N 2.9Å; I280-R285 HydrophobicContact CG2-CG 4.01Å; I280-Y292 HydrophobicContact CD1-CD1 3.78Å; I280-Y292 HydrophobicContact CD1-CE1 3.71Å; I280-Y292 HydrophobicContact CG1-CD1 4.37Å; I280-Y292 HydrophobicContact CG2-CD1 3.77Å; I280-Y292 HydrophobicContact CG2-CG 4.04Å
281R86.5Confident86.5Confident128 Ų12887.9 Ų87.948%0.48341%0.411SS..  trans-63.7156.9-179.8-68.6-176.563.7167.20.5112P279 E283 Y284 R285P279-R281 PolarHBondContact O-N 2.68Å; R281-E283 WeakPolarHBondContact CB-OE2 3.49Å; R281-E283 IonicContact CZ-OE1 3.44Å; R281-E283 IonicContact NE-OE1 2.66Å; R281-E283 IonicContact NE-OE2 2.7Å; R281-E283 PolarHBondContact NE-OE2 3.37Å; R281-E283 IonicContact NH2-OE1 3.53Å; R281-E283 PolarHBondContact NH2-OE1 3.07Å; R281-E283 IonicContact NH2-OE2 2.67Å; R281-E283 PolarHBondContact O-N 3.37Å; R281-Y284 HydrophobicContact CB-CD1 4.41Å; R281-Y284 HydrophobicContact CB-CD2 3.91Å; R281-Y284 HydrophobicContact CB-CE1 4.46Å; R281-Y284 HydrophobicContact CB-CE2 3.99Å; R281-Y284 HydrophobicContact CB-CG 4.12Å; R281-Y284 HydrophobicContact CG-CD2 4.46Å; R281-Y284 HydrophobicContact CG-CE2 4.07Å; R281-Y284 WeakPolarHBondContact O-CB 3.48Å; R281-Y284 PolarHBondContact O-N 3.43Å; R281-R285 PolarHBondContact O-N 2.79Å
282T87Confident87.3Confident49 Ų4989.9 Ų89.930%0.30142%0.417SS..Hα-helixtrans-64.2-35.2178.9-64.60000111.4V243 Y284 R285 I286V243-T282 HydrophobicContact CB-CG2 3.69Å; V243-T282 HydrophobicContact CG1-CG2 4.44Å; V243-T282 HydrophobicContact CG2-CG2 3.9Å; T282-Y284 VanDerWaalsContact C-N 3.28Å; T282-Y284 PolarHBondContact O-N 3.34Å; T282-R285 WeakPolarHBondContact O-CB 3.29Å; T282-R285 PolarHBondContact O-N 2.65Å; T282-I286 HydrophobicContact CG2-CD1 4.03Å; T282-I286 WeakPolarHBondContact O-CG1 3.47Å; T282-I286 PolarHBondContact O-N 2.7Å
283E91.5Very high87.6Confident38 Ų3884.5 Ų84.518%0.17839%0.388CS..Hα-helixtrans-58.8-40.1175.9-62.491.2148.500111.1L229 L245 R281 I286 A287L229-E283 HydrophobicContact CD1-CB 3.8Å; L229-E283 HydrophobicContact CD1-CG 4.2Å; L245-E283 HydrophobicContact CD2-CG 4.26Å; R281-E283 WeakPolarHBondContact CB-OE2 3.49Å; R281-E283 IonicContact CZ-OE1 3.44Å; R281-E283 IonicContact NE-OE1 2.66Å; R281-E283 IonicContact NE-OE2 2.7Å; R281-E283 PolarHBondContact NE-OE2 3.37Å; R281-E283 IonicContact NH2-OE1 3.53Å; R281-E283 PolarHBondContact NH2-OE1 3.07Å; R281-E283 IonicContact NH2-OE2 2.67Å; R281-E283 PolarHBondContact O-N 3.37Å; E283-I286 PolarHBondContact O-N 2.87Å; E283-A287 WeakPolarHBondContact O-CB 3.41Å; E283-A287 PolarHBondContact O-N 2.97Å
284Y93Very high87.5Confident90 Ų9082.9 Ų82.935%0.35339%0.393SS..Hα-helixtrans-67-40.6177.4-55.8-18.2000111.7R281 T282 I286 A287 F288 Y292R281-Y284 HydrophobicContact CB-CD1 4.41Å; R281-Y284 HydrophobicContact CB-CD2 3.91Å; R281-Y284 HydrophobicContact CB-CE1 4.46Å; R281-Y284 HydrophobicContact CB-CE2 3.99Å; R281-Y284 HydrophobicContact CB-CG 4.12Å; R281-Y284 HydrophobicContact CG-CD2 4.46Å; R281-Y284 HydrophobicContact CG-CE2 4.07Å; R281-Y284 WeakPolarHBondContact O-CB 3.48Å; R281-Y284 PolarHBondContact O-N 3.43Å; T282-Y284 VanDerWaalsContact C-N 3.28Å; T282-Y284 PolarHBondContact O-N 3.34Å; Y284-I286 PolarHBondContact O-N 2.7Å; Y284-A287 PolarHBondContact O-N 3.28Å; Y284-F288 PolarHBondContact O-N 2.98Å; Y284-Y292 WeakPolarHBondContact O-CD2 3.36Å
285R90.2Very high87.5Confident57 Ų5786.9 Ų86.922%0.21541%0.406CS..Hα-helixtrans-62.7-22174.8-63.5-175.1-169.3-167.95.6113.2L241 I280 R281 T282 P289 N293L241-R285 WeakPolarHBondContact CD1-O 3.2Å; I280-R285 HydrophobicContact CG2-CG 4.01Å; R281-R285 PolarHBondContact O-N 2.79Å; T282-R285 WeakPolarHBondContact O-CB 3.29Å; T282-R285 PolarHBondContact O-N 2.65Å; R285-P289 WeakPolarHBondContact O-CA 3.5Å; R285-N293 WeakPolarHBondContact CB-OD1 3.5Å; R285-N293 WeakPolarHBondContact CD-OD1 3.24Å; R285-N293 PolarHBondContact O-ND2 2.9Å
286I92.6Very high87.5Confident0 Ų081 Ų810%038%0.377CS..Hα-helixtrans-94.9-43.5177.6-63.6165.7000111L229 T237 A238 V243 L245 T282 E283 Y284 P289L229-I286 HydrophobicContact CD2-CB 4.35Å; L229-I286 HydrophobicContact CD2-CG2 3.94Å; T237-I286 HydrophobicContact CG2-CB 4.42Å; T237-I286 HydrophobicContact CG2-CG2 4.11Å; A238-I286 HydrophobicContact CB-CD1 3.84Å; A238-I286 HydrophobicContact CB-CG1 4.35Å; V243-I286 HydrophobicContact CG2-CD1 3.91Å; V243-I286 HydrophobicContact CG2-CG1 3.87Å; L245-I286 HydrophobicContact CD1-CD1 4.09Å; L245-I286 HydrophobicContact CD2-CD1 3.61Å; L245-I286 HydrophobicContact CG-CD1 3.56Å; T282-I286 HydrophobicContact CG2-CD1 4.03Å; T282-I286 WeakPolarHBondContact O-CG1 3.47Å; T282-I286 PolarHBondContact O-N 2.7Å; E283-I286 PolarHBondContact O-N 2.87Å; Y284-I286 PolarHBondContact O-N 2.7Å; I286-P289 WeakPolarHBondContact O-CD 3.43Å
287A92.7Very high87.8Confident10 Ų1082.6 Ų82.68%0.08338%0.381CS..Hα-helixtrans-61.2-44.4178.900000111.9L229 E283 Y284 P289 S302L229-A287 HydrophobicContact CD2-CB 3.98Å; E283-A287 WeakPolarHBondContact O-CB 3.41Å; E283-A287 PolarHBondContact O-N 2.97Å; Y284-A287 PolarHBondContact O-N 3.28Å; A287-P289 WeakPolarHBondContact O-CD 3.25Å; A287-S302 PolarHBondContact O-OG 3.17Å
288F93.2Very high87.8Confident94 Ų9479 Ų7941%0.41237%0.374SS..SBendtrans-125.473.1-179.5-54-76000110.1Y284 Y290 L291 Y292Y284-F288 PolarHBondContact O-N 2.98Å; F288-Y290 VanDerWaalsContact C-N 3.3Å; F288-Y290 PolarHBondContact O-N 3.31Å; F288-L291 HydrophobicContact CB-CB 4.11Å; F288-L291 PolarHBondContact O-N 3.22Å; F288-Y292 HydrophobicContact CB-CD2 3.87Å; F288-Y292 HydrophobicContact CB-CE2 3.96Å; F288-Y292 AromaticContact CD2-CE2 3.94Å; F288-Y292 HydrophobicContact CD2-CE2 3.94Å; F288-Y292 HydrophobicContact CG-CE2 4.34Å; F288-Y292 PolarHBondContact O-N 3.09Å
289P92.3Very high88.1Confident2 Ų273.2 Ų73.21%0.01335%0.348CS..THydrogen-bonded Turntrans-67.7-27.3-165.621.1-29.1000115T237 R285 I286 A287 N293 V299T237-P289 HydrophobicContact CG2-CB 3.87Å; T237-P289 HydrophobicContact CG2-CG 4.35Å; R285-P289 WeakPolarHBondContact O-CA 3.5Å; I286-P289 WeakPolarHBondContact O-CD 3.43Å; A287-P289 WeakPolarHBondContact O-CD 3.25Å; P289-N293 WeakPolarHBondContact O-CB 3.42Å; P289-N293 PolarHBondContact O-ND2 3.42Å; P289-V299 HydrophobicContact CB-CB 4.45Å; P289-V299 HydrophobicContact CB-CG1 3.33Å; P289-V299 HydrophobicContact CG-CG1 3.62Å
290Y91.8Very high88.6Confident140 Ų14072.4 Ų72.455%0.54934%0.336SS..THydrogen-bonded Turntrans-82.7-25.1178.8-67.1-84.1000112.9F288 P296 L301F288-Y290 VanDerWaalsContact C-N 3.3Å; F288-Y290 PolarHBondContact O-N 3.31Å; Y290-P296 HydrophobicContact CD1-CB 4.26Å; Y290-P296 HydrophobicContact CD1-CG 3.59Å; Y290-P296 HydrophobicContact CE1-CB 4.39Å; Y290-P296 HydrophobicContact CE1-CG 3.93Å; Y290-P296 HydrophobicContact CG-CG 4.44Å; Y290-L301 HydrophobicContact CD2-CD2 4.01Å; Y290-L301 HydrophobicContact CE2-CD2 3.79Å; Y290-L301 HydrophobicContact CE2-CG 4.34Å
291L90.7Very high88.8Confident128 Ų12874.8 Ų74.867%0.6735%0.349SS*.THydrogen-bonded Turntrans-82.6-45.9-176-177.663.2000112F288F288-L291 HydrophobicContact CB-CB 4.11Å; F288-L291 PolarHBondContact O-N 3.22Å
292Y90.1Very high88.8Confident82 Ų8269.8 Ų69.832%0.32233%0.334SS..SBendtrans-98.71.3-171.3-65.6-69.8000114.8I280 Y284 F288I280-Y292 HydrophobicContact CD1-CD1 3.78Å; I280-Y292 HydrophobicContact CD1-CE1 3.71Å; I280-Y292 HydrophobicContact CG1-CD1 4.37Å; I280-Y292 HydrophobicContact CG2-CD1 3.77Å; I280-Y292 HydrophobicContact CG2-CG 4.04Å; Y284-Y292 WeakPolarHBondContact O-CD2 3.36Å; F288-Y292 HydrophobicContact CB-CD2 3.87Å; F288-Y292 HydrophobicContact CB-CE2 3.96Å; F288-Y292 AromaticContact CD2-CE2 3.94Å; F288-Y292 HydrophobicContact CD2-CE2 3.94Å; F288-Y292 HydrophobicContact CG-CE2 4.34Å; F288-Y292 PolarHBondContact O-N 3.09Å
293N85.7Confident88.9Confident25 Ų2576.2 Ų76.213%0.13435%0.353CS..  trans-126.7138.5179.2-54.4-81.1000112.4L241 R285 P289L241-N293 WeakPolarHBondContact CD1-ND2 3.49Å; L241-N293 HydrophobicContact CD2-CB 4.07Å; R285-N293 WeakPolarHBondContact CB-OD1 3.5Å; R285-N293 WeakPolarHBondContact CD-OD1 3.24Å; R285-N293 PolarHBondContact O-ND2 2.9Å; P289-N293 WeakPolarHBondContact O-CB 3.42Å; P289-N293 PolarHBondContact O-ND2 3.42Å
294S78.7Confident88.7Confident90 Ų9082.7 Ų82.763%0.62938%0.377SS*.SBendtrans-80.5140.1163.6-500000109.8
295Y79.3Confident88.5Confident133 Ų13383 Ų8352%0.52238%0.381SS..SBendtrans57.956.2178.5-50-76.8000116.2L260 F297L260-Y295 HydrophobicContact CD2-CD2 4.42Å; Y295-F297 VanDerWaalsContact C-N 3.3Å; Y295-F297 HydrophobicContact CD1-CE2 4.44Å; Y295-F297 HydrophobicContact CD1-CZ 4.15Å; Y295-F297 HydrophobicContact CG-CE2 4.37Å; Y295-F297 WeakPolarHBondContact O-CD2 3.36Å; Y295-F297 PolarHBondContact O-N 3.35Å
296P84.2Confident88.5Confident35 Ų3582 Ų8223%0.22738%0.381CS..  trans-73.873.2-179.132.4-36.5000113.1Y290 V299Y290-P296 HydrophobicContact CD1-CB 4.26Å; Y290-P296 HydrophobicContact CD1-CG 3.59Å; Y290-P296 HydrophobicContact CE1-CB 4.39Å; Y290-P296 HydrophobicContact CE1-CG 3.93Å; Y290-P296 HydrophobicContact CG-CG 4.44Å; P296-V299 HydrophobicContact CB-CB 4.44Å; P296-V299 HydrophobicContact CB-CG2 3.84Å
297F84.5Confident88.4Confident125 Ų12587.3 Ų87.355%0.54842%0.416SS..THydrogen-bonded Turntrans-76.4135178.5-59.2-61.4000112.9Y295 V299Y295-F297 VanDerWaalsContact C-N 3.3Å; Y295-F297 HydrophobicContact CD1-CE2 4.44Å; Y295-F297 HydrophobicContact CD1-CZ 4.15Å; Y295-F297 HydrophobicContact CG-CE2 4.37Å; Y295-F297 WeakPolarHBondContact O-CD2 3.36Å; Y295-F297 PolarHBondContact O-N 3.35Å; F297-V299 PolarHBondContact O-N 3.13Å
298Q86.7Confident88.2Confident142 Ų14292 Ų9266%0.66444%0.439SS*.THydrogen-bonded Turntrans56.128.6175.6-55.6-174.1-2.300114.5L254L254-Q298 HydrophobicContact CD2-CB 4.47Å; L254-Q298 HydrophobicContact CD2-CG 4.33Å; L254-Q298 VanDerWaalsContact CD2-OE1 3.22Å
299V91.3Very high88Confident13 Ų1390 Ų908%0.07944%0.435CS..  trans-82.8149.2178.8-177.60000110.8T237 A240 L241 P289 P296 F297T237-V299 HydrophobicContact CG2-CG1 3.38Å; T237-V299 WeakPolarHBondContact OG1-CG1 3.45Å; A240-V299 HydrophobicContact CB-CG2 4.02Å; L241-V299 HydrophobicContact CD2-CG2 3.89Å; L241-V299 HydrophobicContact CG-CG2 4.08Å; P289-V299 HydrophobicContact CB-CB 4.45Å; P289-V299 HydrophobicContact CB-CG1 3.33Å; P289-V299 HydrophobicContact CG-CG1 3.62Å; P296-V299 HydrophobicContact CB-CB 4.44Å; P296-V299 HydrophobicContact CB-CG2 3.84Å; F297-V299 PolarHBondContact O-N 3.13Å
300H92.4Very high87.8Confident69 Ų6997.7 Ų97.732%0.31948%0.475SS..  trans-113.2142.1176-72-86.8000110.6K233 F236 T237 S302K233-H300 HydrophobicContact CB-CB 4.43Å; K233-H300 HydrophobicContact CD-CB 4.03Å; F236-H300 HydrophobicContact CB-CB 4.45Å; F236-H300 AromaticContact CD2-CD2 3.78Å; T237-H300 PolarHBondContact OG1-N 3.03Å; T237-H300 PolarHBondContact OG1-O 3.14Å; H300-S302 PolarHBondContact O-N 2.84Å
301L91Very high87.6Confident121 Ų12192.8 Ų92.863%0.63446%0.457SS*.PPolyproline II helixtrans-70.6130172.2-67.7170000110K233 Y290K233-L301 WeakPolarHBondContact CB-O 3.3Å; Y290-L301 HydrophobicContact CD2-CD2 4.01Å; Y290-L301 HydrophobicContact CE2-CD2 3.79Å; Y290-L301 HydrophobicContact CE2-CG 4.34Å
302S86.3Confident87.4Confident23 Ų2389.2 Ų89.216%0.16144%0.438CS..PPolyproline II helixtrans-76.9149.2171.444.90000110.6A287 H300A287-S302 PolarHBondContact O-OG 3.17Å; H300-S302 PolarHBondContact O-N 2.84Å
303W89.1Confident87Confident184 Ų18489.5 Ų89.570%0.69744%0.441SS*.PPolyproline II helixtrans-69.4133.8169.2-169.5-96000109.1H305W303-H305 PolarHBondContact NE1-O 3.05Å
304Y86.5Confident86.8Confident174 Ų17490.7 Ų90.768%0.68245%0.449SS*.  trans-77.1-58.1-172.1174.4-100.1000112.3
305H89.5Confident86.5Confident97 Ų9795.1 Ų95.145%0.44946%0.46SS..  trans-164.2150.2-176.2-171.948.7000110.7N225 W303 N308N225-H305 PolarHBondContact OD1-CE1 2.97Å; N225-H305 VanDerWaalsContact OD1-CE1 3.26Å; N225-H305 PolarHBondContact OD1-ND1 3.21Å; W303-H305 PolarHBondContact NE1-O 3.05Å; H305-N308 PolarHBondContact CE1-OD1 3.28Å
306T89.3Confident86.4Confident34 Ų3492.3 Ų92.321%0.20945%0.454CS..  trans-112.7150.4167.149.50000109.4N225 N308N225-T306 VanDerWaalsContact CG-O 3.31Å; N225-T306 PolarHBondContact ND2-O 3.3Å; N225-T306 PolarHBondContact ND2-OG1 2.91Å; N225-T306 PolarHBondContact OD1-N 3.07Å; N225-T306 PolarHBondContact OD1-O 3.11Å; N225-T306 PolarHBondContact OD1-OG1 3.25Å; T306-N308 PolarHBondContact O-N 3.49Å
307P90.4Very high86.1Confident112 Ų11296.4 Ų96.473%0.72748%0.48SS*.  trans-53132.8174.7-25.234.6000111.5V309P307-V309 PolarHBondContact O-N 3.22Å
308N89.6Confident86Confident109 Ų10997.3 Ų97.358%0.58349%0.491SS*.  trans-63.3121.5178.5-71.5-17.3000109.7N225 H305 T306 L310N225-N308 PolarHBondContact ND2-OD1 3.25Å; H305-N308 PolarHBondContact CE1-OD1 3.28Å; T306-N308 PolarHBondContact O-N 3.49Å; N308-L310 PolarHBondContact O-N 2.99Å
309V89.7Confident85.9Confident53 Ų5394.3 Ų94.332%0.32148%0.479SS..  trans-85.799-179.9-178.20000108.8V222 D223 P307 F311 W378V222-V309 HydrophobicContact CG2-CB 4.48Å; D223-V309 HydrophobicContact CB-CB 4.2Å; D223-V309 HydrophobicContact CB-CG2 4.03Å; P307-V309 PolarHBondContact O-N 3.22Å; V309-F311 VanDerWaalsContact C-N 3.34Å; V309-F311 HydrophobicContact CG1-CB 4.22Å; V309-F311 PolarHBondContact O-N 2.63Å; V309-F311 VanDerWaalsContact O-N 3.13Å; V309-W378 HydrophobicContact CG1-CG 4.42Å
310L86.5Confident85.6Confident163 Ų16396 Ų9685%0.85349%0.49SS*.  trans-82.176.8173.8-88.6150000110.2N308N308-L310 PolarHBondContact O-N 2.99Å
311F88.8Confident85.3Confident37 Ų3793.5 Ų93.516%0.16248%0.481CS..PPolyproline II helixtrans-101.1121.8173.4173.1-127.5000110.6V222 V309 K313 I374 A375 W378V222-F311 HydrophobicContact CG1-CD1 4.24Å; V309-F311 VanDerWaalsContact C-N 3.34Å; V309-F311 HydrophobicContact CG1-CB 4.22Å; V309-F311 PolarHBondContact O-N 2.63Å; V309-F311 VanDerWaalsContact O-N 3.13Å; F311-K313 HydrophobicContact CD1-CG 4.06Å; F311-K313 HydrophobicContact CE1-CG 3.58Å; F311-K313 HydrophobicContact CZ-CG 4.19Å; F311-I374 HydrophobicContact CE2-CG2 3.84Å; F311-A375 HydrophobicContact CZ-CB 4.16Å; F311-W378 HydrophobicContact CB-CD2 4.19Å; F311-W378 HydrophobicContact CB-CE3 4.18Å; F311-W378 HydrophobicContact CB-CG 4.42Å; F311-W378 HydrophobicContact CD1-CB 4Å; F311-W378 HydrophobicContact CD1-CD2 4.34Å; F311-W378 AromaticContact CD1-CE3 3.95Å; F311-W378 HydrophobicContact CD1-CE3 3.95Å; F311-W378 HydrophobicContact CD1-CG 4.37Å; F311-W378 HydrophobicContact CD2-CD2 4.05Å; F311-W378 AromaticContact CD2-CE3 3.2Å; F311-W378 HydrophobicContact CD2-CE3 3.2Å; F311-W378 HydrophobicContact CD2-CH2 4.21Å; F311-W378 AromaticContact CD2-CZ3 3.24Å; F311-W378 HydrophobicContact CD2-CZ3 3.24Å; F311-W378 HydrophobicContact CE1-CB 4.4Å; F311-W378 HydrophobicContact CE1-CE3 4.14Å; F311-W378 AromaticContact CE2-CE3 3.46Å; F311-W378 HydrophobicContact CE2-CE3 3.46Å; F311-W378 VanDerWaalsContact CE2-CE3 3.46Å; F311-W378 AromaticContact CE2-CZ3 3.49Å; F311-W378 HydrophobicContact CE2-CZ3 3.49Å; F311-W378 VanDerWaalsContact CE2-CZ3 3.49Å; F311-W378 HydrophobicContact CG-CB 4.41Å; F311-W378 AromaticContact CG-CD2 3.93Å; F311-W378 HydrophobicContact CG-CD2 3.93Å; F311-W378 AromaticContact CG-CE3 3.49Å; F311-W378 HydrophobicContact CG-CE3 3.49Å; F311-W378 VanDerWaalsContact CG-CE3 3.49Å; F311-W378 HydrophobicContact CG-CG 4.3Å; F311-W378 AromaticContact CG-CZ3 3.98Å; F311-W378 HydrophobicContact CG-CZ3 3.98Å; F311-W378 AromaticContact CZ-CE3 3.93Å; F311-W378 HydrophobicContact CZ-CE3 3.93Å; F311-W378 HydrophobicContact CZ-CZ3 4.36Å
312I86.4Confident85.3Confident53 Ų5393.3 Ų93.327%0.27248%0.475SS..PPolyproline II helixtrans-92.8119.2174.4-54.7-59.3000108.5D325 L327I312-D325 HydrophobicContact CG2-CB 3.95Å; I312-L327 HydrophobicContact CD1-CB 4.24Å; I312-L327 HydrophobicContact CD1-CD1 4.18Å
313K80.8Confident85.3Confident88 Ų8895.1 Ų95.138%0.38348%0.479SS..PPolyproline II helixtrans-80.5124.9175.3-70.1-180-177.6175.80109F311 E315F311-K313 HydrophobicContact CD1-CG 4.06Å; F311-K313 HydrophobicContact CE1-CG 3.58Å; F311-K313 HydrophobicContact CZ-CG 4.19Å; K313-E315 PolarHBondContact O-N 2.84Å
314T81.7Confident85.3Confident49 Ų4992 Ų9230%0.30147%0.471SS..  trans-74110.617257.70000108.8Y323T314-Y323 HydrophobicContact CG2-CE1 3.74Å
315E72.8Confident85.3Confident184 Ų18484.5 Ų84.586%0.8644%0.443SS*.  trans-78.7-36.7177.5-71.9-89.8147.300111.5K313K313-E315 PolarHBondContact O-N 2.84Å
316D78Confident85.1Confident74 Ų7485.6 Ų85.640%0.39646%0.458SS..  trans-107.7117.8-174.5-165.7-14.6000110.5D318 L319D316-D318 PolarHBondContact O-N 3.08Å; D316-D318 WeakPolarHBondContact OD1-CB 3.35Å; D316-D318 PolarHBondContact OD1-N 2.88Å; D316-D318 VanDerWaalsContact OD1-N 3.08Å; D316-L319 HydrophobicContact CB-CD1 4.24Å; D316-L319 HydrophobicContact CB-CG 4.26Å; D316-L319 PolarHBondContact O-N 2.98Å
317P76.9Confident85Confident120 Ų12090.4 Ų90.478%0.77948%0.482SS*.THydrogen-bonded Turntrans-66.6-16.2177.528.9-35.5000113.5L319P317-L319 PolarHBondContact O-N 2.9Å
318D82Confident84.9Confident145 Ų14588.6 Ų88.678%0.77547%0.466SS*.THydrogen-bonded Turntrans-72.4-19.5177.8-71.7-12.9000112.3D316D316-D318 PolarHBondContact O-N 3.08Å; D316-D318 WeakPolarHBondContact OD1-CB 3.35Å; D316-D318 PolarHBondContact OD1-N 2.88Å; D316-D318 VanDerWaalsContact OD1-N 3.08Å
319L85.5Confident84.8Confident78 Ų7890.1 Ų90.141%0.40847%0.474SS..SBendtrans-76.9139.4172.6-63.6175.1000110.4D316 P317 Y323D316-L319 HydrophobicContact CB-CD1 4.24Å; D316-L319 HydrophobicContact CB-CG 4.26Å; D316-L319 PolarHBondContact O-N 2.98Å; P317-L319 PolarHBondContact O-N 2.9Å; L319-Y323 HydrophobicContact CB-CD1 4.44Å; L319-Y323 HydrophobicContact CB-CE1 4.39Å; L319-Y323 HydrophobicContact CD1-CD2 4.44Å; L319-Y323 HydrophobicContact CD1-CE2 3.84Å
320P85.5Confident84.5Confident48 Ų4892.5 Ų92.531%0.31249%0.49SS..  trans-56.4150.8177-23.432.5000112.2F322 Y323 Y366P320-F322 PolarHBondContact O-N 2.88Å; P320-F322 VanDerWaalsContact O-N 3.17Å; P320-Y323 WeakPolarHBondContact O-CD1 3.03Å; P320-Y366 HydrophobicContact CB-CE1 4.16Å; P320-Y366 HydrophobicContact CB-CE2 4.41Å
321A85.9Confident84.3Confident17 Ų1792.1 Ų92.114%0.1449%0.487CS..SBendtrans-59.6-32.1179.200000113.3Y366 T370 A371A321-Y366 HydrophobicContact CB-CD2 4.18Å; A321-Y366 HydrophobicContact CB-CG 4.16Å; A321-T370 HydrophobicContact CB-CG2 4.03Å; A321-A371 HydrophobicContact CB-CB 4.03Å
322F89.6Confident83.8Confident117 Ų11794.5 Ų94.551%0.51351%0.509SS..SBendtrans-114.6104.3172.4-53.9-66000108.9P320 L365 T370 I374P320-F322 PolarHBondContact O-N 2.88Å; P320-F322 VanDerWaalsContact O-N 3.17Å; F322-L365 HydrophobicContact CD2-CG 4.33Å; F322-T370 HydrophobicContact CE2-CG2 4.17Å; F322-T370 HydrophobicContact CZ-CG2 4Å; F322-I374 HydrophobicContact CE1-CD1 3.76Å; F322-I374 HydrophobicContact CZ-CD1 4.14Å
323Y87.4Confident83.2Confident61 Ų6199.4 Ų99.424%0.23953%0.53CS..  trans-138.9159.4176.473.3-72.3000110.4T314 L319 P320 D325T314-Y323 HydrophobicContact CG2-CE1 3.74Å; L319-Y323 HydrophobicContact CB-CD1 4.44Å; L319-Y323 HydrophobicContact CB-CE1 4.39Å; L319-Y323 HydrophobicContact CD1-CD2 4.44Å; L319-Y323 HydrophobicContact CD1-CE2 3.84Å; P320-Y323 WeakPolarHBondContact O-CD1 3.03Å; Y323-D325 HydrophobicContact CD2-CB 4.29Å; Y323-D325 VanDerWaalsContact CE2-CA 3.45Å; Y323-D325 HydrophobicContact CE2-CB 3.62Å; Y323-D325 VanDerWaalsContact CE2-OD2 3.27Å; Y323-D325 WeakPolarHBondContact CE2-OD2 3.34Å; Y323-D325 VanDerWaalsContact CZ-OD2 3.24Å; Y323-D325 PolarHBondContact O-N 2.91Å; Y323-D325 PolarHBondContact OH-OD2 2.81Å
324F88Confident82.8Confident119 Ų119106 Ų10652%0.52255%0.553SS.*  trans-82.393.1174.1-168.5-93.5000109.1I328 N329 P330F324-I328 HydrophobicContact CD2-CB 4.45Å; F324-I328 HydrophobicContact CD2-CG2 4.22Å; F324-I328 HydrophobicContact CE1-CB 4.32Å; F324-I328 VanDerWaalsContact CE1-O 3.26Å; F324-I328 WeakPolarHBondContact CE1-O 3.1Å; F324-I328 HydrophobicContact CE2-CB 3.92Å; F324-I328 HydrophobicContact CE2-CG2 3.42Å; F324-I328 VanDerWaalsContact CE2-CG2 3.42Å; F324-I328 HydrophobicContact CZ-CB 3.82Å; F324-I328 HydrophobicContact CZ-CG2 3.63Å; F324-I328 WeakPolarHBondContact CZ-O 3.41Å; F324-N329 WeakPolarHBondContact CZ-O 3.36Å; F324-P330 HydrophobicContact CE1-CB 4.44Å; F324-P330 HydrophobicContact CZ-CB 4.4Å
325D86.2Confident82Confident17 Ų17110 Ų1109%0.09157%0.568CS.*  trans-63.8144.4-176.8-174.8-92.2000112.2I312 Y323 L327 I328I312-D325 HydrophobicContact CG2-CB 3.95Å; Y323-D325 HydrophobicContact CD2-CB 4.29Å; Y323-D325 VanDerWaalsContact CE2-CA 3.45Å; Y323-D325 HydrophobicContact CE2-CB 3.62Å; Y323-D325 VanDerWaalsContact CE2-OD2 3.27Å; Y323-D325 WeakPolarHBondContact CE2-OD2 3.34Å; Y323-D325 VanDerWaalsContact CZ-OD2 3.24Å; Y323-D325 PolarHBondContact O-N 2.91Å; Y323-D325 PolarHBondContact OH-OD2 2.81Å; D325-L327 PolarHBondContact O-N 2.74Å; D325-L327 WeakPolarHBondContact OD1-CB 3.36Å; D325-L327 WeakPolarHBondContact OD1-CG 2.97Å; D325-L327 PolarHBondContact OD1-N 3Å; D325-I328 HydrophobicContact CB-CD1 4.23Å; D325-I328 HydrophobicContact CB-CG1 4.22Å; D325-I328 WeakPolarHBondContact O-CB 2.96Å; D325-I328 PolarHBondContact O-N 3.36Å
326P86Confident82Confident120 Ų120105.3 Ų105.378%0.77957%0.569SS**THydrogen-bonded Turntrans-55.8-20.2177.3-27.436000115.2
327L86.9Confident81.4Confident135 Ų135107.8 Ų107.871%0.70759%0.587SS**THydrogen-bonded Turntrans-80.4-12.9175.9-59.2171.5000113.3I312 D325I312-L327 HydrophobicContact CD1-CB 4.24Å; I312-L327 HydrophobicContact CD1-CD1 4.18Å; D325-L327 PolarHBondContact O-N 2.74Å; D325-L327 WeakPolarHBondContact OD1-CB 3.36Å; D325-L327 WeakPolarHBondContact OD1-CG 2.97Å; D325-L327 PolarHBondContact OD1-N 3Å
328I88.3Confident81.1Confident74 Ų74111.2 Ų111.238%0.37959%0.589SS.*SBendtrans-86.8129.8178.2-56.2177000109.4F324 D325F324-I328 HydrophobicContact CD2-CB 4.45Å; F324-I328 HydrophobicContact CD2-CG2 4.22Å; F324-I328 HydrophobicContact CE1-CB 4.32Å; F324-I328 VanDerWaalsContact CE1-O 3.26Å; F324-I328 WeakPolarHBondContact CE1-O 3.1Å; F324-I328 HydrophobicContact CE2-CB 3.92Å; F324-I328 HydrophobicContact CE2-CG2 3.42Å; F324-I328 VanDerWaalsContact CE2-CG2 3.42Å; F324-I328 HydrophobicContact CZ-CB 3.82Å; F324-I328 HydrophobicContact CZ-CG2 3.63Å; F324-I328 WeakPolarHBondContact CZ-O 3.41Å; D325-I328 HydrophobicContact CB-CD1 4.23Å; D325-I328 HydrophobicContact CB-CG1 4.22Å; D325-I328 WeakPolarHBondContact O-CB 2.96Å; D325-I328 PolarHBondContact O-N 3.36Å
329N88Confident80.5Confident141 Ų141107.9 Ų107.975%0.75458%0.582SS**PPolyproline II helixtrans-65.7128.2178.7-65.4-42.3000111.1F324F324-N329 WeakPolarHBondContact CZ-O 3.36Å
330P83.4Confident79.6Confident102 Ų102110.4 Ų110.466%0.66260%0.603SS**PPolyproline II helixtrans-64.5136.5-179.924.9-33000112.1F324 S332F324-P330 HydrophobicContact CE1-CB 4.44Å; F324-P330 HydrophobicContact CZ-CB 4.4Å; P330-S332 PolarHBondContact O-N 2.94Å
331I83Confident78.6Confident156 Ų156115.7 Ų115.780%0.862%0.623SS**  trans-84.7101.3176.5-55.1174.1000108.5Q333I331-Q333 PolarHBondContact O-N 3.35Å
332S77.7Confident77.6Confident87 Ų87123.7 Ų123.761%0.60866%0.663SS**  trans-93.891.7172.450.60000110.1P330 R334P330-S332 PolarHBondContact O-N 2.94Å; S332-R334 PolarHBondContact O-N 2.82Å
333Q73.3Confident76.3Confident155 Ų155125.4 Ų125.472%0.72467%0.672SS**  trans-70.894178.7-167.7167.6-3.300110.1I331I331-Q333 PolarHBondContact O-N 3.35Å
334R71.9Confident75.2Confident227 Ų227127.1 Ų127.186%0.85769%0.691SS**  trans-100.787.4172.7-63-178.2-177.4-172.90.4108.9S332S332-R334 PolarHBondContact O-N 2.82Å
335Q66.2Low74.1Confident133 Ų133128 Ų12862%0.62170%0.702SS**  trans-98.7124.7168.6-83.9180-21.200109.5V337Q335-V337 VanDerWaalsContact C-N 3.34Å; Q335-V337 PolarHBondContact O-N 3.23Å
336G71.5Confident72.9Confident86 Ų86134.1 Ų134.189%0.88774%0.739SS**SBendtrans-72.8-20.1-175.100000115.1
337V66.8Low71.9Confident126 Ų126136 Ų13676%0.76474%0.743SS**SBendtrans-143.1126.3174.6179.50000106.6Q335 A339Q335-V337 VanDerWaalsContact C-N 3.34Å; Q335-V337 PolarHBondContact O-N 3.23Å; V337-A339 PolarHBondContact O-N 2.87Å
338K69.9Low70.6Confident192 Ų192136.7 Ų136.784%0.83574%0.742SS**  trans-66.9120.6170.4-86.8-176.1172.6-175.60108.1
339A69.1Low69.1Low75 Ų75139.5 Ų139.562%0.6276%0.763SS**  trans-61.1133.3165.200000108.1V337 E341V337-A339 PolarHBondContact O-N 2.87Å; A339-E341 PolarHBondContact O-N 3.28Å
340P66.1Low68.3Low131 Ų131141.8 Ų141.885%0.85176%0.762SS**  trans-64.3105.7172.924.8-29.6000108.1
341E66.4Low67.7Low158 Ų158145.1 Ų145.174%0.73877%0.769SS**  trans-63.9136.7166.9-72.7177.2162.100107.8A339 Q343A339-E341 PolarHBondContact O-N 3.28Å; E341-Q343 PolarHBondContact O-N 3.13Å
342L63.8Low67.5Low185 Ų185142.8 Ų142.897%0.96976%0.757SS**  trans-63.479169.2-82.4148.1000108.3
343Q62.9Low67.6Low153 Ų153142.8 Ų142.872%0.71576%0.755SS**PPolyproline II helixtrans-74.9126.1161.9-73-176.8-1200106.4E341 D345E341-Q343 PolarHBondContact O-N 3.13Å; Q343-D345 PolarHBondContact O-N 2.67Å
344P64.5Low67.7Low97 Ų97145.3 Ų145.363%0.6377%0.767SS**PPolyproline II helixtrans-55.1139.6173.222-29.7000109.2
345D63.6Low68.1Low139 Ų139138.1 Ų138.174%0.74376%0.763SS**PPolyproline II helixtrans-55.3142.1179-88.8-37.6000109.8Q343 D347 E348Q343-D345 PolarHBondContact O-N 2.67Å; D345-D347 PolarHBondContact O-N 2.88Å; D345-E348 PolarHBondContact O-N 3.03Å
346V62.8Low68.9Low144 Ų144137.1 Ų137.187%0.87376%0.762SS**THydrogen-bonded Turntrans-58.3-13.5-175.3-173.60000112.7
347D63.3Low69.4Low161 Ų161139.6 Ų139.686%0.86175%0.75SS**THydrogen-bonded Turntrans-81.5-8.9176-83.5-19.4000114.9D345 T349D345-D347 PolarHBondContact O-N 2.88Å; D347-T349 PolarHBondContact O-N 2.99Å
348E61.3Low70.2Confident149 Ų149138.5 Ų138.570%0.69675%0.746SS**  trans-87.195.9167.9-82.5-170.515800110.9D345 Y350D345-E348 PolarHBondContact O-N 3.03Å; E348-Y350 VanDerWaalsContact C-N 3.35Å; E348-Y350 PolarHBondContact O-N 2.98Å
349T55.9Low70.9Confident132 Ų132139.7 Ų139.781%0.8175%0.751SS**  trans-75.381.5173.1300000111D347D347-T349 PolarHBondContact O-N 2.99Å
350Y71.6Confident71.7Confident189 Ų189142.1 Ų142.174%0.74175%0.753SS**  trans-99.1103.1169.8-175.5-95.8000110.8E348 L352E348-Y350 VanDerWaalsContact C-N 3.35Å; E348-Y350 PolarHBondContact O-N 2.98Å; Y350-L352 HydrophobicContact CE1-CD2 3.79Å
351E71.1Confident72.5Confident173 Ų173138.5 Ų138.581%0.80874%0.735SS**PPolyproline II helixtrans-97.8136.7171.9-65.3-179178.300110.2
352L77.5Confident73.4Confident106 Ų106140 Ų14056%0.55574%0.742SS**PPolyproline II helixtrans-70.6142.9172.6-66.6169.3000109.5Y350 E354 L356Y350-L352 HydrophobicContact CE1-CD2 3.79Å; L352-E354 PolarHBondContact O-N 2.94Å; L352-L356 HydrophobicContact CD2-CD2 3.75Å
353P81.2Confident74.4Confident87 Ų87135 Ų13557%0.56572%0.718SS**PPolyproline II helixtrans-56.5138.2173.3-21.931.7000111.1G355 L356P353-G355 PolarHBondContact O-N 3.35Å; P353-L356 WeakPolarHBondContact O-CB 3.16Å; P353-L356 PolarHBondContact O-N 2.84Å
354E74.9Confident75.5Confident209 Ų209132.7 Ų132.798%0.97772%0.717SS**THydrogen-bonded Turntrans-54.3-23.8-178.8-80.2-171.9149.700114.2L352L352-E354 PolarHBondContact O-N 2.94Å
355G79.9Confident76.6Confident75 Ų75135.1 Ų135.177%0.77372%0.724SS**THydrogen-bonded Turntrans-82.8-6.8176.600000115.5P353 Q357P353-G355 PolarHBondContact O-N 3.35Å; G355-Q357 PolarHBondContact O-N 2.89Å
356L83.5Confident77.9Confident112 Ų112133.6 Ų133.659%0.58671%0.708SS**  trans-87.696.5-175.9-160.891.5000111L352 P353L352-L356 HydrophobicContact CD2-CD2 3.75Å; P353-L356 WeakPolarHBondContact O-CB 3.16Å; P353-L356 PolarHBondContact O-N 2.84Å
357Q82Confident79.1Confident138 Ų138129.4 Ų129.465%0.64569%0.686SS**  trans-100.9161.7168.2-65.4-165.8-200111.5G355 A361G355-Q357 PolarHBondContact O-N 2.89Å; Q357-A361 HydrophobicContact CB-CB 4.41Å
358P83.4Confident80.1Confident103 Ų103128.7 Ų128.767%0.66968%0.682SS**  trans-54.6142.5169.9-24.333.5000112.2L360 A361P358-L360 PolarHBondContact O-N 3.37Å; P358-A361 HydrophobicContact CB-CB 4.33Å; P358-A361 WeakPolarHBondContact O-CB 3.37Å; P358-A361 PolarHBondContact O-N 3.23Å; P358-A361 VanDerWaalsContact O-N 3.09Å
359F84.3Confident81.3Confident218 Ų218125.6 Ų125.696%0.95667%0.67SS**THydrogen-bonded Turntrans-48.7-26.9-173.6-76.5-73.8000116.4
360L85.1Confident83Confident125 Ų125121 Ų12165%0.65464%0.642SS**THydrogen-bonded Turntrans-132.628.5-171.1-73.1-179.6000111.2P358 E362 T363P358-L360 PolarHBondContact O-N 3.37Å; L360-E362 PolarHBondContact O-N 2.93Å; L360-T363 VanDerWaalsContact CB-OG1 3.28Å; L360-T363 WeakPolarHBondContact CB-OG1 3.31Å; L360-T363 HydrophobicContact CD2-CG2 4.48Å; L360-T363 PolarHBondContact O-N 2.81Å; L360-T363 VanDerWaalsContact O-O 3.12Å; L360-T363 PolarHBondContact O-OG1 3.44Å
361A82.9Confident83.9Confident56 Ų56113 Ų11346%0.46362%0.615SS.*THydrogen-bonded Turntrans-58.8-30.7-178.300000113.2Q357 P358Q357-A361 HydrophobicContact CB-CB 4.41Å; P358-A361 HydrophobicContact CB-CB 4.33Å; P358-A361 WeakPolarHBondContact O-CB 3.37Å; P358-A361 PolarHBondContact O-N 3.23Å; P358-A361 VanDerWaalsContact O-N 3.09Å
362E85.2Confident84.7Confident190 Ų190108.4 Ų108.489%0.88860%0.596SS**THydrogen-bonded Turntrans-79.6-18.2177.2-63.5-175.6171.200114L360L360-E362 PolarHBondContact O-N 2.93Å
363T85Confident85.4Confident78 Ų78104.4 Ų104.448%0.47958%0.58SS.*SBendtrans-100.4138.6-176.350.70000111.9L360L360-T363 VanDerWaalsContact CB-OG1 3.28Å; L360-T363 WeakPolarHBondContact CB-OG1 3.31Å; L360-T363 HydrophobicContact CD2-CG2 4.48Å; L360-T363 PolarHBondContact O-N 2.81Å; L360-T363 VanDerWaalsContact O-O 3.12Å; L360-T363 PolarHBondContact O-OG1 3.44Å
364P87.2Confident85.9Confident106 Ų106102.5 Ų102.569%0.68857%0.565SS**  trans-69.1148.917830.6-35.6000111.2Y366P364-Y366 VanDerWaalsContact C-N 3.25Å; P364-Y366 PolarHBondContact O-N 2.84Å
365L88Confident86.6Confident148 Ų14893.6 Ų93.678%0.77553%0.527SS*.SBendtrans-61.9-32.7179.918063.7000112.9F322F322-L365 HydrophobicContact CD2-CG 4.33Å
366Y89.7Confident87.2Confident106 Ų10690.4 Ų90.442%0.41649%0.492SS..  trans-141.2160.8177.463.2-86.1000110.3P320 A321 P364P320-Y366 HydrophobicContact CB-CE1 4.16Å; P320-Y366 HydrophobicContact CB-CE2 4.41Å; A321-Y366 HydrophobicContact CB-CD2 4.18Å; A321-Y366 HydrophobicContact CB-CG 4.16Å; P364-Y366 VanDerWaalsContact C-N 3.25Å; P364-Y366 PolarHBondContact O-N 2.84Å
367S88Confident87.6Confident56 Ų5690.7 Ų90.739%0.39249%0.493SS..  trans-122.2167.7171.273.90000109.9N369 T370S367-N369 PolarHBondContact O-N 3.17Å; S367-N369 VanDerWaalsContact O-N 3.09Å; S367-N369 PolarHBondContact OG-N 3.28Å; S367-T370 PolarHBondContact N-OG1 2.91Å; S367-T370 WeakPolarHBondContact O-CB 3.24Å; S367-T370 PolarHBondContact O-N 3.26Å; S367-T370 PolarHBondContact O-OG1 3.16Å; S367-T370 PolarHBondContact OG-N 2.8Å; S367-T370 PolarHBondContact OG-OG1 3.06Å
368D85.1Confident88Confident147 Ų14788.7 Ų88.779%0.78648%0.48SS*.Hα-helixtrans-56.6-32.5175.7-47.7-23.7000112.6T370D368-T370 VanDerWaalsContact C-N 3.33Å; D368-T370 PolarHBondContact O-N 2.99Å
369N86.8Confident88.2Confident84 Ų8484.2 Ų84.245%0.44945%0.451SS..Hα-helixtrans-80.3-5.7176.6-69.5-56.7000115S367 G373S367-N369 PolarHBondContact O-N 3.17Å; S367-N369 VanDerWaalsContact O-N 3.09Å; S367-N369 PolarHBondContact OG-N 3.28Å; N369-G373 PolarHBondContact O-N 3.35Å
370T90.7Very high88.4Confident36 Ų3675.3 Ų75.322%0.22142%0.416CS..Hα-helixtrans-70.7-49.9-173.7-620000111A321 F322 S367 D368 N372 G373 I374A321-T370 HydrophobicContact CB-CG2 4.03Å; F322-T370 HydrophobicContact CE2-CG2 4.17Å; F322-T370 HydrophobicContact CZ-CG2 4Å; S367-T370 PolarHBondContact N-OG1 2.91Å; S367-T370 WeakPolarHBondContact O-CB 3.24Å; S367-T370 PolarHBondContact O-N 3.26Å; S367-T370 PolarHBondContact O-OG1 3.16Å; S367-T370 PolarHBondContact OG-N 2.8Å; S367-T370 PolarHBondContact OG-OG1 3.06Å; D368-T370 VanDerWaalsContact C-N 3.33Å; D368-T370 PolarHBondContact O-N 2.99Å; T370-N372 VanDerWaalsContact C-N 3.32Å; T370-N372 PolarHBondContact O-N 3.22Å; T370-G373 PolarHBondContact O-N 2.96Å; T370-I374 HydrophobicContact CG2-CD1 3.97Å; T370-I374 VanDerWaalsContact O-CG1 3.27Å; T370-I374 WeakPolarHBondContact O-CG1 3.46Å; T370-I374 PolarHBondContact O-N 3.44Å
371A90.1Very high88.5Confident21 Ų2178.7 Ų78.717%0.17442%0.42CS..Hα-helixtrans-59.2-43176.700000111.9A321 G373 I374 A375A321-A371 HydrophobicContact CB-CB 4.03Å; A371-G373 PolarHBondContact O-N 3.48Å; A371-I374 WeakPolarHBondContact O-CB 3.48Å; A371-I374 PolarHBondContact O-N 3.33Å; A371-A375 PolarHBondContact O-N 3.43Å
372N89Confident88.8Confident76 Ų7676.5 Ų76.541%0.40640%0.401SS..Hα-helixtrans-63-42.1175.5-75.3-41.3000112.8T370 I374 A375 L376T370-N372 VanDerWaalsContact C-N 3.32Å; T370-N372 PolarHBondContact O-N 3.22Å; N372-I374 VanDerWaalsContact C-N 3.33Å; N372-I374 PolarHBondContact O-N 3.18Å; N372-A375 PolarHBondContact O-N 2.84Å; N372-L376 WeakPolarHBondContact O-CG 3.41Å; N372-L376 PolarHBondContact O-N 3.48Å
373G91.2Very high89.2Confident21 Ų2167.5 Ų67.522%0.21636%0.359CS..Hα-helixtrans-62.5-40.5175.400000112.6N369 T370 A371 L376 L377N369-G373 PolarHBondContact O-N 3.35Å; T370-G373 PolarHBondContact O-N 2.96Å; A371-G373 PolarHBondContact O-N 3.48Å; G373-L376 PolarHBondContact O-N 3.4Å; G373-L377 PolarHBondContact O-N 3.11Å
374I91.6Very high89.5Confident48 Ų4866.5 Ų66.525%0.24635%0.354CS..Hα-helixtrans-64.3-45.6174.9-70.2173.7000110.3F311 F322 T370 A371 N372 L376 L377 W378F311-I374 HydrophobicContact CE2-CG2 3.84Å; F322-I374 HydrophobicContact CE1-CD1 3.76Å; F322-I374 HydrophobicContact CZ-CD1 4.14Å; T370-I374 HydrophobicContact CG2-CD1 3.97Å; T370-I374 VanDerWaalsContact O-CG1 3.27Å; T370-I374 WeakPolarHBondContact O-CG1 3.46Å; T370-I374 PolarHBondContact O-N 3.44Å; A371-I374 WeakPolarHBondContact O-CB 3.48Å; A371-I374 PolarHBondContact O-N 3.33Å; N372-I374 VanDerWaalsContact C-N 3.33Å; N372-I374 PolarHBondContact O-N 3.18Å; I374-L376 VanDerWaalsContact C-N 3.33Å; I374-L376 PolarHBondContact O-N 3.09Å; I374-L377 VanDerWaalsContact O-CB 3.26Å; I374-L377 WeakPolarHBondContact O-CB 3.34Å; I374-L377 PolarHBondContact O-N 2.88Å; I374-L377 VanDerWaalsContact O-N 3.1Å; I374-W378 HydrophobicContact CG2-CE3 4.09Å; I374-W378 HydrophobicContact CG2-CH2 4.16Å; I374-W378 HydrophobicContact CG2-CZ3 3.31Å
375A90.2Very high89.8Confident22 Ų2264.7 Ų64.718%0.18234%0.339CS..Hα-helixtrans-60.9-39.3176.100000113F311 A371 N372 L377 W378 A379F311-A375 HydrophobicContact CZ-CB 4.16Å; A371-A375 PolarHBondContact O-N 3.43Å; N372-A375 PolarHBondContact O-N 2.84Å; A375-L377 VanDerWaalsContact C-N 3.25Å; A375-L377 PolarHBondContact O-N 3.23Å; A375-W378 PolarHBondContact O-N 3.14Å; A375-A379 PolarHBondContact O-N 3.37Å
376L91.6Very high90Very high8 Ų864.5 Ų64.54%0.04233%0.327CS..Hα-helixtrans-64.7-28.3175.8-74.6172.8000113L204 M207 Y211 N372 G373 I374 W378 A379 F383 C384L204-L376 HydrophobicContact CD2-CD1 4.21Å; M207-L376 HydrophobicContact CB-CD1 3.85Å; M207-L376 HydrophobicContact CB-CD2 4.33Å; Y211-L376 HydrophobicContact CD1-CD2 4.22Å; Y211-L376 HydrophobicContact CG-CD2 4.06Å; N372-L376 WeakPolarHBondContact O-CG 3.41Å; N372-L376 PolarHBondContact O-N 3.48Å; G373-L376 PolarHBondContact O-N 3.4Å; I374-L376 VanDerWaalsContact C-N 3.33Å; I374-L376 PolarHBondContact O-N 3.09Å; L376-W378 VanDerWaalsContact C-N 3.29Å; L376-W378 PolarHBondContact O-N 3.32Å; L376-A379 WeakPolarHBondContact O-CB 3.26Å; L376-A379 PolarHBondContact O-N 3.25Å; L376-F383 HydrophobicContact CD2-CB 4.4Å; L376-C384 VanDerWaalsContact O-CA 3.32Å; L376-C384 WeakPolarHBondContact O-CA 3.4Å
377L91.6Very high90.1Very high117 Ų11762.6 Ų62.661%0.61333%0.33SS*.Hα-helixtrans-62.7-38179.7-167.1144.8000111.6G373 I374 A375G373-L377 PolarHBondContact O-N 3.11Å; I374-L377 VanDerWaalsContact O-CB 3.26Å; I374-L377 WeakPolarHBondContact O-CB 3.34Å; I374-L377 PolarHBondContact O-N 2.88Å; I374-L377 VanDerWaalsContact O-N 3.1Å; A375-L377 VanDerWaalsContact C-N 3.25Å; A375-L377 PolarHBondContact O-N 3.23Å
378W90.4Very high90.3Very high97 Ų9761 Ų6137%0.36732%0.322SS..THydrogen-bonded Turntrans-99.418.9176.6-63-74.4000113.9V309 F311 I374 A375 L376V309-W378 HydrophobicContact CG1-CG 4.42Å; F311-W378 HydrophobicContact CB-CD2 4.19Å; F311-W378 HydrophobicContact CB-CE3 4.18Å; F311-W378 HydrophobicContact CB-CG 4.42Å; F311-W378 HydrophobicContact CD1-CB 4Å; F311-W378 HydrophobicContact CD1-CD2 4.34Å; F311-W378 AromaticContact CD1-CE3 3.95Å; F311-W378 HydrophobicContact CD1-CE3 3.95Å; F311-W378 HydrophobicContact CD1-CG 4.37Å; F311-W378 HydrophobicContact CD2-CD2 4.05Å; F311-W378 AromaticContact CD2-CE3 3.2Å; F311-W378 HydrophobicContact CD2-CE3 3.2Å; F311-W378 HydrophobicContact CD2-CH2 4.21Å; F311-W378 AromaticContact CD2-CZ3 3.24Å; F311-W378 HydrophobicContact CD2-CZ3 3.24Å; F311-W378 HydrophobicContact CE1-CB 4.4Å; F311-W378 HydrophobicContact CE1-CE3 4.14Å; F311-W378 AromaticContact CE2-CE3 3.46Å; F311-W378 HydrophobicContact CE2-CE3 3.46Å; F311-W378 VanDerWaalsContact CE2-CE3 3.46Å; F311-W378 AromaticContact CE2-CZ3 3.49Å; F311-W378 HydrophobicContact CE2-CZ3 3.49Å; F311-W378 VanDerWaalsContact CE2-CZ3 3.49Å; F311-W378 HydrophobicContact CG-CB 4.41Å; F311-W378 AromaticContact CG-CD2 3.93Å; F311-W378 HydrophobicContact CG-CD2 3.93Å; F311-W378 AromaticContact CG-CE3 3.49Å; F311-W378 HydrophobicContact CG-CE3 3.49Å; F311-W378 VanDerWaalsContact CG-CE3 3.49Å; F311-W378 HydrophobicContact CG-CG 4.3Å; F311-W378 AromaticContact CG-CZ3 3.98Å; F311-W378 HydrophobicContact CG-CZ3 3.98Å; F311-W378 AromaticContact CZ-CE3 3.93Å; F311-W378 HydrophobicContact CZ-CE3 3.93Å; F311-W378 HydrophobicContact CZ-CZ3 4.36Å; I374-W378 HydrophobicContact CG2-CE3 4.09Å; I374-W378 HydrophobicContact CG2-CH2 4.16Å; I374-W378 HydrophobicContact CG2-CZ3 3.31Å; A375-W378 PolarHBondContact O-N 3.14Å; L376-W378 VanDerWaalsContact C-N 3.29Å; L376-W378 PolarHBondContact O-N 3.32Å
379A88.1Confident90.6Very high8 Ų857.9 Ų57.97%0.06631%0.312CS..SBendtrans-80.7151.3176.400000112.6Y211 A375 L376 F383 C384Y211-A379 HydrophobicContact CD2-CB 4.03Å; Y211-A379 HydrophobicContact CE1-CB 4.44Å; Y211-A379 HydrophobicContact CE2-CB 3.68Å; A375-A379 PolarHBondContact O-N 3.37Å; L376-A379 WeakPolarHBondContact O-CB 3.26Å; L376-A379 PolarHBondContact O-N 3.25Å; A379-F383 HydrophobicContact CB-CB 3.8Å; A379-C384 WeakPolarHBondContact O-CB 3.37Å
380P87.8Confident91Very high32 Ų3254.2 Ų54.221%0.20829%0.293CS..PPolyproline II helixtrans-62.8147.1173.6-21.833.1000112.2T219 F383T219-P380 HydrophobicContact CG2-CB 4.47Å; T219-P380 HydrophobicContact CG2-CG 3.81Å; P380-F383 PolarHBondContact O-N 3.24Å
381R88.2Confident91.1Very high195 Ų19556.8 Ų56.874%0.73630%0.298SS*.THydrogen-bonded Turntrans-56.6125.8168.4-174178.6-177.6146.16.6109.3L385R381-L385 HydrophobicContact CG-CD1 4.32Å
382P90.2Very high91.3Very high10 Ų1058.5 Ų58.57%0.06530%0.3CS..THydrogen-bonded Turncis-96.5-0.423.840.1-42.6000117.4E110 P111 L385E110-P382 HydrophobicContact CB-CB 4.14Å; E110-P382 HydrophobicContact CB-CG 4.26Å; E110-P382 HydrophobicContact CG-CB 4.01Å; E110-P382 HydrophobicContact CG-CG 3.9Å; P111-P382 HydrophobicContact CB-CG 4.08Å; P382-L385 PolarHBondContact O-N 3.3Å
383F92.8Very high91.4Very high2 Ų254.9 Ų54.91%0.00928%0.281CS..THydrogen-bonded Turntrans-76.9-24.2-165.5-63.6-82.8000114.7P111 A114 M207 L210 Y211 A214 L218 L376 A379 P380 L385P111-F383 HydrophobicContact CB-CD1 4.06Å; P111-F383 HydrophobicContact CB-CE1 3.74Å; P111-F383 HydrophobicContact CB-CZ 4.29Å; A114-F383 HydrophobicContact CB-CE2 4.39Å; A114-F383 HydrophobicContact CB-CZ 4.01Å; M207-F383 HydrophobicContact CE-CB 4.4Å; M207-F383 HydrophobicContact CE-CD1 4.29Å; M207-F383 VanDerWaalsContact CE-O 3.22Å; M207-F383 WeakPolarHBondContact CE-O 3.31Å; L210-F383 HydrophobicContact CB-CE1 4.12Å; L210-F383 WeakPolarHBondContact O-CE1 3.44Å; Y211-F383 HydrophobicContact CD2-CB 3.8Å; Y211-F383 HydrophobicContact CD2-CD1 4.08Å; Y211-F383 HydrophobicContact CD2-CD2 4.01Å; Y211-F383 AromaticContact CD2-CG 3.68Å; Y211-F383 HydrophobicContact CD2-CG 3.68Å; Y211-F383 HydrophobicContact CG-CB 4.35Å; Y211-F383 HydrophobicContact CG-CD1 4.37Å; Y211-F383 HydrophobicContact CG-CG 4.33Å; A214-F383 HydrophobicContact CB-CE1 4.15Å; A214-F383 HydrophobicContact CB-CE2 4.1Å; A214-F383 HydrophobicContact CB-CZ 3.46Å; A214-F383 VanDerWaalsContact CB-CZ 3.46Å; L218-F383 HydrophobicContact CD1-CD2 3.76Å; L218-F383 HydrophobicContact CD1-CE2 3.58Å; L218-F383 HydrophobicContact CD1-CZ 4.26Å; L218-F383 HydrophobicContact CD2-CD2 4.26Å; L218-F383 HydrophobicContact CD2-CE2 3.68Å; L218-F383 HydrophobicContact CG-CE2 4.23Å; L376-F383 HydrophobicContact CD2-CB 4.4Å; A379-F383 HydrophobicContact CB-CB 3.8Å; P380-F383 PolarHBondContact O-N 3.24Å; F383-L385 PolarHBondContact O-N 3.5Å; F383-L385 VanDerWaalsContact O-N 3.13Å
384C91.4Very high91.5Very high57 Ų5754.1 Ų54.139%0.38527%0.272SS..THydrogen-bonded Turntrans-71.52.6173.758.10000115.1L376 A379L376-C384 VanDerWaalsContact O-CA 3.32Å; L376-C384 WeakPolarHBondContact O-CA 3.4Å; A379-C384 WeakPolarHBondContact O-CB 3.37Å
385L92.9Very high91.6Very high68 Ų6854 Ų5436%0.35627%0.272SS..  trans-120.9130.3-176.4-57.6173000110.7M207 R381 P382 F383M207-L385 VanDerWaalsContact CE-O 3.23Å; M207-L385 WeakPolarHBondContact CE-O 3.37Å; R381-L385 HydrophobicContact CG-CD1 4.32Å; P382-L385 PolarHBondContact O-N 3.3Å; F383-L385 PolarHBondContact O-N 3.5Å; F383-L385 VanDerWaalsContact O-N 3.13Å
386R91.7Very high91.7Very high143 Ų14353.3 Ų53.354%0.5427%0.265SS..SBendtrans-76.4-26.3174.6-67.7-179.663.4-174.70.7114.1W200 L202 L204W200-R386 VanDerWaalsContact CZ3-O 3.27Å; W200-R386 WeakPolarHBondContact CZ3-O 3.36Å; L202-R386 PolarHBondContact N-O 2.94Å; L204-R386 HydrophobicContact CD2-CG 3.95Å
387S92.9Very high91.8Very high66 Ų6654.8 Ų54.846%0.46228%0.275SS..EExtended strand (participates in β ladder)trans-139.5150.2-177.2-179.40000111.7W200W200-S387 WeakPolarHBondContact O-CA 3.46Å; W200-S387 WeakPolarHBondContact O-CB 3.4Å; W200-S387 PolarHBondContact O-OG 3.29Å
388G91.4Very high91.8Very high23 Ų2350.3 Ų50.324%0.23725%0.251CS..EExtended strand (participates in β ladder)trans-163.9179.8178.900000114.1W200W200-G388 VanDerWaalsContact CD1-O 3.24Å; W200-G388 PolarHBondContact N-O 3.42Å; W200-G388 PolarHBondContact O-N 3.19Å
389S93.1Very high92Very high82 Ų8246 Ų4657%0.57324%0.236SC*.EExtended strand (participates in β ladder)trans-88.3146167.4-60.90000109.9R198 W200R198-S389 CarbonylContact O-C 3.58Å; R198-S389 WeakPolarHBondContact O-CA 3.34Å; W200-S389 PolarHBondContact NE1-O 3.42Å
390T93.8Very high92.2Very high7 Ų748.8 Ų48.84%0.04325%0.246CC..  trans-65.2149167.864.20000109.6V108 V109 Y197 R198V108-T390 WeakPolarHBondContact O-CA 3.21Å; V108-T390 WeakPolarHBondContact O-CB 3.44Å; V109-T390 HydrophobicContact CG2-CG2 3.95Å; Y197-T390 HydrophobicContact CD1-CG2 4.25Å; Y197-T390 HydrophobicContact CE1-CG2 4.42Å; Y197-T390 WeakPolarHBondContact O-CB 3.12Å; Y197-T390 WeakPolarHBondContact O-CG2 3.31Å; Y197-T390 PolarHBondContact O-OG1 3.41Å; R198-T390 VanDerWaalsContact CA-OG1 3.26Å; R198-T390 WeakPolarHBondContact CA-OG1 3.49Å; R198-T390 PolarHBondContact O-N 3.2Å; R198-T390 PolarHBondContact O-OG1 2.86Å
391R93.7Very high92.3Very high89 Ų8948.7 Ų48.734%0.33625%0.248SC..EExtended strand (participates in β ladder)trans-117.4164177.9-60.1-171.770.6-154.6-7.1108.7V108 E110 D395 I396V108-R391 WeakPolarHBondContact CG2-O 3.5Å; V108-R391 PolarHBondContact N-O 2.65Å; V108-R391 PolarHBondContact O-N 3.41Å; E110-R391 IonicContact OE1-CZ 3.62Å; E110-R391 IonicContact OE1-NH1 2.82Å; E110-R391 PolarHBondContact OE1-NH1 2.89Å; E110-R391 WeakPolarHBondContact OE2-CD 3.18Å; E110-R391 IonicContact OE2-NH1 3.58Å; R391-D395 PolarHBondContact NH2-O 2.96Å; R391-I396 HydrophobicContact CB-CD1 4.32Å; R391-I396 HydrophobicContact CB-CG1 4.15Å
392R93Very high92.5Very high57 Ų5739.9 Ų39.922%0.21522%0.215CC..EExtended strand (participates in β ladder)trans-74.8145.2170.8-58.8-176.5-63.1146.46.6109E77 I105 P106 W107 I394 D395E77-R392 IonicContact OE1-NH1 3.9Å; E77-R392 PolarHBondContact OE1-NH1 2.86Å; I105-R392 VanDerWaalsContact CG2-CD 3.46Å; I105-R392 HydrophobicContact CG2-CG 3.72Å; P106-R392 VanDerWaalsContact O-CA 3.29Å; P106-R392 WeakPolarHBondContact O-CA 3.3Å; W107-R392 HydrophobicContact CD2-CG 4.49Å; W107-R392 HydrophobicContact CE3-CG 4.12Å; W107-R392 HydrophobicContact CH2-CG 3.69Å; W107-R392 HydrophobicContact CZ2-CG 4.07Å; W107-R392 HydrophobicContact CZ3-CG 3.74Å; R392-I394 PolarHBondContact O-N 3.49Å; R392-I394 VanDerWaalsContact O-N 3.07Å; R392-D395 HydrophobicContact CB-CB 4.48Å; R392-D395 IonicContact CZ-OD1 3.07Å; R392-D395 IonicContact CZ-OD2 3.83Å; R392-D395 VanDerWaalsContact CZ-OD2 3.28Å; R392-D395 IonicContact NE-OD1 2.74Å; R392-D395 IonicContact NE-OD2 2.8Å; R392-D395 PolarHBondContact NE-OD2 3.18Å; R392-D395 VanDerWaalsContact NH2-CG 3.28Å; R392-D395 IonicContact NH2-OD1 3.94Å; R392-D395 PolarHBondContact NH2-OD1 3.38Å; R392-D395 IonicContact NH2-OD2 2.65Å; R392-D395 PolarHBondContact NH2-OD2 3.17Å; R392-D395 PolarHBondContact O-N 3.01Å
393A92.6Very high92.6Very high0 Ų040.7 Ų40.70%022%0.217CC..G310 helixtrans-52.2-35175.300000112.9M81 P106 V108 Y113 D395 W606M81-A393 HydrophobicContact CE-CB 4.21Å; P106-A393 HydrophobicContact CB-CB 4.4Å; P106-A393 HydrophobicContact CG-CB 4.36Å; P106-A393 PolarHBondContact O-N 3.19Å; P106-A393 VanDerWaalsContact O-N 3.09Å; V108-A393 HydrophobicContact CG1-CB 4.31Å; V108-A393 HydrophobicContact CG2-CB 4.29Å; Y113-A393 HydrophobicContact CE2-CB 4.19Å; A393-D395 VanDerWaalsContact C-N 3.31Å; A393-D395 PolarHBondContact O-N 3.29Å; A393-W606 HydrophobicContact CB-CH2 3.82Å; A393-W606 HydrophobicContact CB-CZ3 4.2Å
394I93Very high92.6Very high6 Ų644.7 Ų44.73%0.03123%0.232CC..G310 helixtrans-68.6-26.7177-41.8169.9000112.7E77 R392 I396 W606 R607 L610 F611E77-I394 HydrophobicContact CB-CD1 4.34Å; E77-I394 HydrophobicContact CG-CD1 3.79Å; E77-I394 WeakPolarHBondContact OE1-CD1 3.19Å; R392-I394 PolarHBondContact O-N 3.49Å; R392-I394 VanDerWaalsContact O-N 3.07Å; I394-I396 VanDerWaalsContact C-N 3.33Å; I394-I396 PolarHBondContact O-N 2.99Å; I394-W606 HydrophobicContact CG1-CH2 3.76Å; I394-W606 HydrophobicContact CG1-CZ2 4.21Å; I394-W606 HydrophobicContact CG1-CZ3 4.29Å; I394-R607 HydrophobicContact CG2-CB 4.37Å; I394-R607 HydrophobicContact CG2-CG 4.15Å; I394-R607 VanDerWaalsContact O-CZ 3.27Å; I394-R607 PolarHBondContact O-NE 3.34Å; I394-R607 PolarHBondContact O-NH2 2.92Å; I394-L610 HydrophobicContact CD1-CB 4.25Å; I394-L610 HydrophobicContact CD1-CD1 3.52Å; I394-L610 HydrophobicContact CD1-CG 4.49Å; I394-L610 HydrophobicContact CG1-CD1 3.62Å; I394-L610 HydrophobicContact CG2-CB 4.33Å; I394-L610 HydrophobicContact CG2-CD1 4.39Å; I394-F611 HydrophobicContact CG2-CD1 4.34Å; I394-F611 HydrophobicContact CG2-CE1 3.72Å; I394-F611 HydrophobicContact CG2-CE2 4.08Å; I394-F611 HydrophobicContact CG2-CZ 3.57Å
395D93.1Very high92.5Very high45 Ų4544 Ų4424%0.24122%0.223CC..G310 helixtrans-85.1-7.2-173.7-66-31.6000113.1R391 R392 A393 P397R391-D395 PolarHBondContact NH2-O 2.96Å; R392-D395 HydrophobicContact CB-CB 4.48Å; R392-D395 IonicContact CZ-OD1 3.07Å; R392-D395 IonicContact CZ-OD2 3.83Å; R392-D395 VanDerWaalsContact CZ-OD2 3.28Å; R392-D395 IonicContact NE-OD1 2.74Å; R392-D395 IonicContact NE-OD2 2.8Å; R392-D395 PolarHBondContact NE-OD2 3.18Å; R392-D395 VanDerWaalsContact NH2-CG 3.28Å; R392-D395 IonicContact NH2-OD1 3.94Å; R392-D395 PolarHBondContact NH2-OD1 3.38Å; R392-D395 IonicContact NH2-OD2 2.65Å; R392-D395 PolarHBondContact NH2-OD2 3.17Å; R392-D395 PolarHBondContact O-N 3.01Å; A393-D395 VanDerWaalsContact C-N 3.31Å; A393-D395 PolarHBondContact O-N 3.29Å; D395-P397 WeakPolarHBondContact O-CD 3.3Å
396I93.5Very high92.4Very high8 Ų844.4 Ų44.44%0.04122%0.223CC..  trans-96.8113.1179-57.2171.1000109.9V108 E110 Y113 R391 I394 L398 R607V108-I396 HydrophobicContact CG2-CD1 3.47Å; V108-I396 VanDerWaalsContact CG2-CD1 3.47Å; E110-I396 HydrophobicContact CB-CD1 4.2Å; E110-I396 HydrophobicContact CG-CD1 3.94Å; E110-I396 HydrophobicContact CG-CG1 4.08Å; E110-I396 HydrophobicContact CG-CG2 4.29Å; Y113-I396 HydrophobicContact CD1-CB 4.32Å; Y113-I396 HydrophobicContact CD1-CD1 3.77Å; Y113-I396 HydrophobicContact CD1-CG2 4.17Å; Y113-I396 HydrophobicContact CE1-CB 4.43Å; Y113-I396 HydrophobicContact CE1-CD1 4.46Å; Y113-I396 HydrophobicContact CG-CD1 4.23Å; R391-I396 HydrophobicContact CB-CD1 4.32Å; R391-I396 HydrophobicContact CB-CG1 4.15Å; I394-I396 VanDerWaalsContact C-N 3.33Å; I394-I396 PolarHBondContact O-N 2.99Å; I396-L398 HydrophobicContact CG2-CD2 4.2Å; I396-R607 PolarHBondContact O-NE 2.98Å
397P92.7Very high92.2Very high39 Ų3939.1 Ų39.125%0.25321%0.208SC..  trans-98.487.8-178.738-33.2000113.3D395 V399 K400 R607D395-P397 WeakPolarHBondContact O-CD 3.3Å; P397-V399 VanDerWaalsContact C-N 3.32Å; P397-V399 PolarHBondContact O-N 2.82Å; P397-K400 HydrophobicContact CB-CB 3.76Å; P397-K400 HydrophobicContact CB-CD 4.25Å; P397-K400 HydrophobicContact CG-CB 3.9Å; P397-K400 HydrophobicContact CG-CD 3.78Å; P397-K400 HydrophobicContact CG-CG 4.49Å; P397-K400 WeakPolarHBondContact O-CB 3.4Å; P397-K400 PolarHBondContact O-N 3.21Å; P397-K400 VanDerWaalsContact O-N 3.16Å; P397-R607 VanDerWaalsContact CA-NH1 3.28Å; P397-R607 VanDerWaalsContact CB-NH1 3.29Å
398L92.6Very high91.8Very high22 Ų2239.2 Ų39.212%0.11521%0.207CC..THydrogen-bonded Turntrans-49.6-45.4-176.6-56.5172.6000114.2Y113 W117 L217 I396 F601 A603Y113-L398 HydrophobicContact CD1-CD2 4.33Å; Y113-L398 HydrophobicContact CE1-CD2 4.29Å; W117-L398 HydrophobicContact CB-CD1 3.8Å; W117-L398 HydrophobicContact CB-CD2 4.31Å; W117-L398 HydrophobicContact CD2-CD1 3.83Å; W117-L398 HydrophobicContact CG-CD1 3.47Å; W117-L398 VanDerWaalsContact CG-CD1 3.47Å; W117-L398 HydrophobicContact CG-CD2 4.5Å; L217-L398 HydrophobicContact CD1-CD2 4.48Å; I396-L398 HydrophobicContact CG2-CD2 4.2Å; L398-F601 HydrophobicContact CB-CZ 3.99Å; L398-F601 HydrophobicContact CD1-CE1 4.44Å; L398-F601 HydrophobicContact CD1-CE2 4.13Å; L398-F601 HydrophobicContact CD1-CZ 3.61Å; L398-F601 HydrophobicContact CG-CZ 4.45Å; L398-A603 HydrophobicContact CD1-CB 3.86Å
399V93.5Very high91.4Very high6 Ų643.5 Ų43.54%0.03623%0.233CC..THydrogen-bonded Turntrans-96.212.3-173.6-54.60000114.7P397 W402 Y403 L580 I584 F601 P604P397-V399 VanDerWaalsContact C-N 3.32Å; P397-V399 PolarHBondContact O-N 2.82Å; V399-W402 HydrophobicContact CB-CD2 3.98Å; V399-W402 HydrophobicContact CB-CE3 3.56Å; V399-W402 HydrophobicContact CB-CZ3 3.87Å; V399-W402 HydrophobicContact CG1-CD2 4.18Å; V399-W402 HydrophobicContact CG1-CE3 3.57Å; V399-W402 HydrophobicContact CG1-CH2 3.68Å; V399-W402 HydrophobicContact CG1-CZ2 4.24Å; V399-W402 HydrophobicContact CG1-CZ3 3.31Å; V399-Y403 VanDerWaalsContact O-CD1 3.24Å; V399-Y403 WeakPolarHBondContact O-CD1 3.3Å; V399-Y403 WeakPolarHBondContact O-CE1 3.5Å; V399-L580 HydrophobicContact CG2-CD2 3.87Å; V399-I584 HydrophobicContact CG1-CG1 4.38Å; V399-F601 HydrophobicContact CG1-CD1 4.48Å; V399-F601 HydrophobicContact CG1-CE1 3.56Å; V399-F601 HydrophobicContact CG1-CZ 4.27Å; V399-P604 HydrophobicContact CG1-CG 3.87Å; V399-P604 HydrophobicContact CG2-CB 4.08Å; V399-P604 HydrophobicContact CG2-CG 3.9Å
400K92.1Very high91Very high67 Ų6743.3 Ų43.329%0.29124%0.244SC..Hα-helixtrans-71.4-31.7-174.9173.9178.8178-157.90113.3P397 W402 Y403 R404 F426P397-K400 HydrophobicContact CB-CB 3.76Å; P397-K400 HydrophobicContact CB-CD 4.25Å; P397-K400 HydrophobicContact CG-CB 3.9Å; P397-K400 HydrophobicContact CG-CD 3.78Å; P397-K400 HydrophobicContact CG-CG 4.49Å; P397-K400 WeakPolarHBondContact O-CB 3.4Å; P397-K400 PolarHBondContact O-N 3.21Å; P397-K400 VanDerWaalsContact O-N 3.16Å; K400-W402 VanDerWaalsContact C-N 3.34Å; K400-Y403 HydrophobicContact CB-CE1 4.22Å; K400-Y403 HydrophobicContact CG-CE2 4.41Å; K400-Y403 WeakPolarHBondContact CG-OH 3.49Å; K400-R404 HydrophobicContact CG-CG 4.46Å; K400-R404 VanDerWaalsContact O-CG 3.31Å; K400-R404 WeakPolarHBondContact O-CG 3.34Å; K400-R404 PolarHBondContact O-N 3.29Å; K400-F426 VanDerWaalsContact CE-CE2 3.44Å
401A90.2Very high90.7Very high30 Ų3044.9 Ų44.925%0.24825%0.252CS..Hα-helixtrans-60.6-46.3175.600000110.6Y403 R404 E405A401-Y403 PolarHBondContact O-N 3.28Å; A401-R404 WeakPolarHBondContact O-CB 3.36Å; A401-R404 PolarHBondContact O-N 3.31Å; A401-E405 PolarHBondContact O-N 2.88Å
402W93.1Very high90.4Very high11 Ų1143 Ų434%0.04225%0.251CS..Hα-helixtrans-55.3-51.5-174.1-51.7-15.5000113.8W121 L217 V399 K400 R404 E405 Y419 V583 I584 R587W121-W402 HydrophobicContact CE3-CH2 4.37Å; W121-W402 AromaticContact CH2-CH2 3.71Å; W121-W402 HydrophobicContact CH2-CH2 3.71Å; W121-W402 HydrophobicContact CH2-CZ3 4.3Å; W121-W402 HydrophobicContact CZ2-CH2 4.44Å; W121-W402 AromaticContact CZ3-CH2 3.67Å; W121-W402 HydrophobicContact CZ3-CH2 3.67Å; W121-W402 HydrophobicContact CZ3-CZ3 4.38Å; L217-W402 HydrophobicContact CD2-CH2 4.23Å; L217-W402 HydrophobicContact CD2-CZ2 3.78Å; L217-W402 PolarHBondContact O-NE1 2.97Å; V399-W402 HydrophobicContact CB-CD2 3.98Å; V399-W402 HydrophobicContact CB-CE3 3.56Å; V399-W402 HydrophobicContact CB-CZ3 3.87Å; V399-W402 HydrophobicContact CG1-CD2 4.18Å; V399-W402 HydrophobicContact CG1-CE3 3.57Å; V399-W402 HydrophobicContact CG1-CH2 3.68Å; V399-W402 HydrophobicContact CG1-CZ2 4.24Å; V399-W402 HydrophobicContact CG1-CZ3 3.31Å; K400-W402 VanDerWaalsContact C-N 3.34Å; W402-R404 VanDerWaalsContact C-N 3.3Å; W402-R404 PolarHBondContact O-N 3.06Å; W402-E405 PolarHBondContact O-N 3.3Å; W402-Y419 WeakPolarHBondContact O-CE1 3.26Å; W402-V583 HydrophobicContact CB-CG1 4.32Å; W402-V583 HydrophobicContact CE3-CG1 3.87Å; W402-I584 HydrophobicContact CZ3-CG1 4.26Å; W402-R587 HydrophobicContact CH2-CG 4.49Å
403Y92.2Very high90Very high27 Ų2744.6 Ų44.611%0.10627%0.267CS..Hα-helixtrans-82.1-6.3-179.466-102.6000113.9V399 K400 A401 L422 L423 F426V399-Y403 VanDerWaalsContact O-CD1 3.24Å; V399-Y403 WeakPolarHBondContact O-CD1 3.3Å; V399-Y403 WeakPolarHBondContact O-CE1 3.5Å; K400-Y403 HydrophobicContact CB-CE1 4.22Å; K400-Y403 HydrophobicContact CG-CE2 4.41Å; K400-Y403 WeakPolarHBondContact CG-OH 3.49Å; A401-Y403 PolarHBondContact O-N 3.28Å; Y403-L422 HydrophobicContact CD1-CB 4.16Å; Y403-L422 HydrophobicContact CD1-CD1 3.97Å; Y403-L422 HydrophobicContact CD2-CB 3.83Å; Y403-L422 HydrophobicContact CE2-CB 4.36Å; Y403-L422 HydrophobicContact CG-CB 3.74Å; Y403-L422 HydrophobicContact CG-CD1 4.15Å; Y403-L423 WeakPolarHBondContact O-CD2 3.49Å; Y403-L423 WeakPolarHBondContact O-CG 3.43Å; Y403-F426 HydrophobicContact CE2-CB 4.19Å
404R91.6Very high89.6Confident86 Ų8650.4 Ų50.433%0.32529%0.292SS..Hα-helixtrans-80.3-22.9169.6-80.2-179.966.1-157-0.5111.6F227 F230 K400 A401 W402 F426F227-R404 HydrophobicContact CE1-CB 4.31Å; F227-R404 WeakPolarHBondContact CE1-O 3.33Å; F230-R404 WeakPolarHBondContact CD1-O 3.5Å; F230-R404 WeakPolarHBondContact CE1-O 3.38Å; K400-R404 HydrophobicContact CG-CG 4.46Å; K400-R404 VanDerWaalsContact O-CG 3.31Å; K400-R404 WeakPolarHBondContact O-CG 3.34Å; K400-R404 PolarHBondContact O-N 3.29Å; A401-R404 WeakPolarHBondContact O-CB 3.36Å; A401-R404 PolarHBondContact O-N 3.31Å; W402-R404 VanDerWaalsContact C-N 3.3Å; W402-R404 PolarHBondContact O-N 3.06Å; R404-F426 HydrophobicContact CG-CE1 4.38Å
405E90.8Very high89.5Confident41 Ų4150.2 Ų50.219%0.19229%0.291CS..SBendtrans-81.1167.6173.4-65.4161-160.600110.8T219 L221 Y226 F227 A401 W402T219-E405 VanDerWaalsContact CB-OE1 3.25Å; T219-E405 WeakPolarHBondContact CB-OE1 3.28Å; T219-E405 PolarHBondContact OG1-OE1 3.36Å; L221-E405 HydrophobicContact CD1-CG 3.97Å; Y226-E405 HydrophobicContact CE1-CB 4.02Å; Y226-E405 HydrophobicContact CE1-CG 4.12Å; F227-E405 HydrophobicContact CE1-CG 4.28Å; F227-E405 HydrophobicContact CZ-CG 4.41Å; A401-E405 PolarHBondContact O-N 2.88Å; W402-E405 PolarHBondContact O-N 3.3Å
406H89.7Confident89.4Confident77 Ų7752.8 Ų52.836%0.35630%0.297SS..PPolyproline II helixtrans-67.4145.2172-66.488000109.8Y226 F230Y226-H406 AromaticContact CE1-ND1 3.67Å; Y226-H406 AromaticContact CZ-ND1 3.67Å; Y226-H406 WeakPolarHBondContact OH-CB 3.4Å; Y226-H406 PolarHBondContact OH-N 3.27Å; Y226-H406 PolarHBondContact OH-ND1 2.95Å; F230-H406 AromaticContact CD2-CD2 3.88Å; F230-H406 AromaticContact CD2-CE1 3.74Å; F230-H406 AromaticContact CD2-NE2 3.23Å; F230-H406 WeakPolarHBondContact CD2-NE2 3.43Å; F230-H406 AromaticContact CE2-CD2 3.72Å; F230-H406 AromaticContact CE2-NE2 3.57Å; F230-H406 AromaticContact CG-CE1 3.57Å; F230-H406 AromaticContact CG-NE2 3.58Å; F230-H406 AromaticContact CZ-CD2 3.98Å
407C88.3Confident89.2Confident33 Ų3354.8 Ų54.822%0.22331%0.309CS..PPolyproline II helixtrans-71.9132.6173.4-1700000109.2S409 R416 Y419C407-S409 PolarHBondContact O-N 2.78Å; C407-R416 HydrophobicContact CB-CG 4.39Å; C407-Y419 HydrophobicContact CB-CD1 3.88Å; C407-Y419 HydrophobicContact CB-CD2 4.25Å; C407-Y419 HydrophobicContact CB-CE1 4.23Å; C407-Y419 HydrophobicContact CB-CG 3.9Å
408P85Confident89.2Confident67 Ų6753 Ų5344%0.43530%0.298SS..PPolyproline II helixtrans-55.3135.9173.8-25.233.7000111.3G410 M411P408-G410 VanDerWaalsContact C-N 3.26Å; P408-G410 PolarHBondContact O-N 3.4Å; P408-M411 HydrophobicContact CB-CG 4.19Å; P408-M411 HydrophobicContact CG-CG 4.49Å; P408-M411 WeakPolarHBondContact O-CB 3.4Å; P408-M411 PolarHBondContact O-N 3.1Å; P408-M411 VanDerWaalsContact O-N 3.13Å
409S82.6Confident89.3Confident113 Ų11353 Ų5379%0.7930%0.297SS*.THydrogen-bonded Turntrans-58.1-35.3-172.751.70000113.4C407 M411 R416C407-S409 PolarHBondContact O-N 2.78Å; S409-M411 PolarHBondContact O-N 3.4Å; S409-R416 PolarHBondContact O-NH1 3.42Å; S409-R416 VanDerWaalsContact O-NH1 3.11Å
410G85Confident89.2Confident78 Ų7855.1 Ų55.180%0.80431%0.306SS*.THydrogen-bonded Turntrans-69.9-7.8179.300000116P408P408-G410 VanDerWaalsContact C-N 3.26Å; P408-G410 PolarHBondContact O-N 3.4Å
411M86.9Confident89.3Confident41 Ų4155.5 Ų55.520%0.20231%0.308CS..SBendtrans-76.5145179.3-68-72.4175.800111.9P408 S409 V415 R416 Y586P408-M411 HydrophobicContact CB-CG 4.19Å; P408-M411 HydrophobicContact CG-CG 4.49Å; P408-M411 WeakPolarHBondContact O-CB 3.4Å; P408-M411 PolarHBondContact O-N 3.1Å; P408-M411 VanDerWaalsContact O-N 3.13Å; S409-M411 PolarHBondContact O-N 3.4Å; M411-V415 HydrophobicContact CB-CB 4.33Å; M411-V415 HydrophobicContact CB-CG1 4.34Å; M411-R416 PolarHBondContact O-NH1 3.09Å; M411-Y586 HydrophobicContact SD-CD1 3.93Å; M411-Y586 HydrophobicContact SD-CG 4.3Å
412P87.3Confident89.5Confident50 Ų5054.2 Ų54.233%0.32530%0.297SS..  trans-67.2156.4-178.325.7-32.5000112.8K414 V415 R416 Y586P412-K414 PolarHBondContact O-N 3.14Å; P412-V415 HydrophobicContact CG-CG2 3.93Å; P412-V415 PolarHBondContact O-N 3.33Å; P412-R416 PolarHBondContact O-N 3.47Å; P412-Y586 HydrophobicContact CG-CD1 4.32Å; P412-Y586 HydrophobicContact CG-CE1 3.49Å; P412-Y586 VanDerWaalsContact CG-CE1 3.49Å; P412-Y586 HydrophobicContact CG-CE2 4.43Å; P412-Y586 WeakPolarHBondContact CG-OH 3.27Å
413V84.1Confident89.6Confident90 Ų9053.8 Ų53.855%0.54530%0.295SS..Hα-helixtrans-48.8-40.6-178.7178.50000112.4V415 R416 V417V413-V415 VanDerWaalsContact C-N 3.27Å; V413-V415 PolarHBondContact O-N 3Å; V413-R416 VanDerWaalsContact CG2-NH2 3.27Å; V413-R416 PolarHBondContact O-N 3.2Å; V413-V417 HydrophobicContact CG1-CG2 4.1Å; V413-V417 WeakPolarHBondContact O-CG2 3.05Å; V413-V417 PolarHBondContact O-N 3.33Å
414K85.5Confident89.7Confident122 Ų12255.9 Ų55.953%0.5331%0.305SS..Hα-helixtrans-53.8-41.7177.7179.9178172.7-178.80112.9P412 S418 H582P412-K414 PolarHBondContact O-N 3.14Å; K414-S418 PolarHBondContact O-N 3.34Å; K414-S418 PolarHBondContact O-OG 3.5Å; K414-H582 WeakPolarHBondContact CE-CE1 3.09Å; K414-H582 WeakPolarHBondContact CE-NE2 3.42Å
415V90.7Very high89.9Confident1 Ų153 Ų531%0.00629%0.294CS..Hα-helixtrans-76.2-45.8179179.40000109.5M411 P412 V413 V417 S418 Y419 H582 Y586M411-V415 HydrophobicContact CB-CB 4.33Å; M411-V415 HydrophobicContact CB-CG1 4.34Å; P412-V415 HydrophobicContact CG-CG2 3.93Å; P412-V415 PolarHBondContact O-N 3.33Å; V413-V415 VanDerWaalsContact C-N 3.27Å; V413-V415 PolarHBondContact O-N 3Å; V415-V417 VanDerWaalsContact C-N 3.28Å; V415-V417 PolarHBondContact O-N 3.03Å; V415-S418 CarbonylContact O-C 3.56Å; V415-S418 VanDerWaalsContact O-CA 3.31Å; V415-S418 WeakPolarHBondContact O-CA 3.2Å; V415-S418 WeakPolarHBondContact O-CB 3.5Å; V415-S418 PolarHBondContact O-N 3.03Å; V415-Y419 HydrophobicContact CG1-CD2 3.74Å; V415-Y419 HydrophobicContact CG1-CE2 3.5Å; V415-Y419 VanDerWaalsContact CG1-CE2 3.5Å; V415-Y419 WeakPolarHBondContact O-CD2 3.35Å; V415-Y419 PolarHBondContact O-N 2.86Å; V415-H582 HydrophobicContact CG2-CB 4.35Å; V415-Y586 HydrophobicContact CG2-CD1 4.15Å; V415-Y586 HydrophobicContact CG2-CD2 3.33Å; V415-Y586 HydrophobicContact CG2-CE1 4.3Å; V415-Y586 HydrophobicContact CG2-CE2 3.49Å; V415-Y586 VanDerWaalsContact CG2-CE2 3.49Å; V415-Y586 HydrophobicContact CG2-CG 3.67Å
416R90.1Very high90Very high100 Ų10052.5 Ų52.538%0.37729%0.292SS..Hα-helixtrans-54-43.6176.6-62.5-166.8-70-119.210.4112.6C407 S409 M411 P412 V413 S418 Y419 Q420C407-R416 HydrophobicContact CB-CG 4.39Å; S409-R416 PolarHBondContact O-NH1 3.42Å; S409-R416 VanDerWaalsContact O-NH1 3.11Å; M411-R416 PolarHBondContact O-NH1 3.09Å; P412-R416 PolarHBondContact O-N 3.47Å; V413-R416 VanDerWaalsContact CG2-NH2 3.27Å; V413-R416 PolarHBondContact O-N 3.2Å; R416-S418 VanDerWaalsContact C-N 3.31Å; R416-S418 PolarHBondContact O-N 2.86Å; R416-Y419 WeakPolarHBondContact O-CB 3.12Å; R416-Y419 PolarHBondContact O-N 3.48Å; R416-Q420 WeakPolarHBondContact O-CG 3.47Å; R416-Q420 PolarHBondContact O-N 3.17Å
417V89.8Confident90.3Very high49 Ų4948.9 Ų48.930%0.29728%0.275SS..Hα-helixtrans-65.7-33.8174.2172.40000112V413 V415 K421V413-V417 HydrophobicContact CG1-CG2 4.1Å; V413-V417 WeakPolarHBondContact O-CG2 3.05Å; V413-V417 PolarHBondContact O-N 3.33Å; V415-V417 VanDerWaalsContact C-N 3.28Å; V415-V417 PolarHBondContact O-N 3.03Å; V417-K421 HydrophobicContact CG1-CD 4.12Å; V417-K421 HydrophobicContact CG1-CG 4.47Å; V417-K421 WeakPolarHBondContact O-CB 3.45Å; V417-K421 VanDerWaalsContact O-CG 3.3Å; V417-K421 WeakPolarHBondContact O-CG 3.27Å; V417-K421 PolarHBondContact O-N 2.83Å
418S92.4Very high90.5Very high2 Ų249.6 Ų49.61%0.01428%0.276CS..Hα-helixtrans-66.8-43176.5-56.20000111K414 V415 R416 K421 L422 H582K414-S418 PolarHBondContact O-N 3.34Å; K414-S418 PolarHBondContact O-OG 3.5Å; V415-S418 CarbonylContact O-C 3.56Å; V415-S418 VanDerWaalsContact O-CA 3.31Å; V415-S418 WeakPolarHBondContact O-CA 3.2Å; V415-S418 WeakPolarHBondContact O-CB 3.5Å; V415-S418 PolarHBondContact O-N 3.03Å; R416-S418 VanDerWaalsContact C-N 3.31Å; R416-S418 PolarHBondContact O-N 2.86Å; S418-K421 PolarHBondContact O-N 2.79Å; S418-L422 VanDerWaalsContact O-CG 3.32Å; S418-L422 WeakPolarHBondContact O-CG 3.33Å; S418-L422 PolarHBondContact O-N 3.46Å; S418-H582 PolarHBondContact OG-ND1 3.49Å
419Y93.9Very high90.8Very high22 Ų2250.8 Ų50.89%0.08628%0.279CS..Hα-helixtrans-56.8-53.4171.5-84.8-113000111.1W402 C407 V415 R416 K421 L422 L423 V583W402-Y419 WeakPolarHBondContact O-CE1 3.26Å; C407-Y419 HydrophobicContact CB-CD1 3.88Å; C407-Y419 HydrophobicContact CB-CD2 4.25Å; C407-Y419 HydrophobicContact CB-CE1 4.23Å; C407-Y419 HydrophobicContact CB-CG 3.9Å; V415-Y419 HydrophobicContact CG1-CD2 3.74Å; V415-Y419 HydrophobicContact CG1-CE2 3.5Å; V415-Y419 VanDerWaalsContact CG1-CE2 3.5Å; V415-Y419 WeakPolarHBondContact O-CD2 3.35Å; V415-Y419 PolarHBondContact O-N 2.86Å; R416-Y419 WeakPolarHBondContact O-CB 3.12Å; R416-Y419 PolarHBondContact O-N 3.48Å; Y419-K421 VanDerWaalsContact C-N 3.28Å; Y419-K421 PolarHBondContact O-N 3.04Å; Y419-L422 PolarHBondContact O-N 3.01Å; Y419-L422 VanDerWaalsContact O-N 3.13Å; Y419-L423 PolarHBondContact O-N 3.06Å; Y419-V583 HydrophobicContact CD2-CG2 3.83Å; Y419-V583 HydrophobicContact CE2-CB 4.29Å; Y419-V583 HydrophobicContact CE2-CG1 4.02Å; Y419-V583 HydrophobicContact CE2-CG2 3.66Å
420Q92.7Very high91.3Very high51 Ų5147 Ų4724%0.23826%0.255CS..Hα-helixtrans-56.5-38.6178.1-72.1179.2-10.600113.1P246 R416 K424P246-Q420 PolarHBondContact O-NE2 2.78Å; R416-Q420 WeakPolarHBondContact O-CG 3.47Å; R416-Q420 PolarHBondContact O-N 3.17Å; Q420-K424 WeakPolarHBondContact O-CB 3.44Å; Q420-K424 PolarHBondContact O-N 2.72Å
421K93.4Very high91.5Very high75 Ų7546.1 Ų46.133%0.32623%0.231SC..Hα-helixtrans-70.8-40.9177.3-76.8172-177.2163.30112.7V417 S418 Y419 K424 Y425 D579V417-K421 HydrophobicContact CG1-CD 4.12Å; V417-K421 HydrophobicContact CG1-CG 4.47Å; V417-K421 WeakPolarHBondContact O-CB 3.45Å; V417-K421 VanDerWaalsContact O-CG 3.3Å; V417-K421 WeakPolarHBondContact O-CG 3.27Å; V417-K421 PolarHBondContact O-N 2.83Å; S418-K421 PolarHBondContact O-N 2.79Å; Y419-K421 VanDerWaalsContact C-N 3.28Å; Y419-K421 PolarHBondContact O-N 3.04Å; K421-K424 WeakPolarHBondContact O-CB 3.35Å; K421-K424 PolarHBondContact O-N 3.08Å; K421-Y425 HydrophobicContact CB-CE2 4.46Å; K421-Y425 WeakPolarHBondContact O-CD2 3.44Å; K421-Y425 PolarHBondContact O-N 3.38Å; K421-D579 WeakPolarHBondContact CD-OD2 3.44Å; K421-D579 IonicContact NZ-OD1 3.1Å
422L95.5Very high91.6Very high3 Ų350.5 Ų50.52%0.01625%0.251CS..Hα-helixtrans-64.8-42.1176.2-68.9172.2000110.7Y403 S418 Y419 K424 Y425 F426 M576 D579 L580 V583Y403-L422 HydrophobicContact CD1-CB 4.16Å; Y403-L422 HydrophobicContact CD1-CD1 3.97Å; Y403-L422 HydrophobicContact CD2-CB 3.83Å; Y403-L422 HydrophobicContact CE2-CB 4.36Å; Y403-L422 HydrophobicContact CG-CB 3.74Å; Y403-L422 HydrophobicContact CG-CD1 4.15Å; S418-L422 VanDerWaalsContact O-CG 3.32Å; S418-L422 WeakPolarHBondContact O-CG 3.33Å; S418-L422 PolarHBondContact O-N 3.46Å; Y419-L422 PolarHBondContact O-N 3.01Å; Y419-L422 VanDerWaalsContact O-N 3.13Å; L422-K424 VanDerWaalsContact C-N 3.33Å; L422-K424 PolarHBondContact O-N 2.9Å; L422-Y425 HydrophobicContact CD2-CD2 4.38Å; L422-Y425 PolarHBondContact O-N 2.55Å; L422-Y425 VanDerWaalsContact O-N 3.16Å; L422-F426 PolarHBondContact O-N 2.84Å; L422-M576 HydrophobicContact CD2-CG 4.1Å; L422-D579 HydrophobicContact CD1-CB 4.36Å; L422-D579 HydrophobicContact CD2-CB 4.11Å; L422-D579 HydrophobicContact CG-CB 4.03Å; L422-L580 HydrophobicContact CD1-CD2 3.99Å; L422-L580 HydrophobicContact CD2-CD2 3.95Å; L422-L580 HydrophobicContact CD2-CG 4.01Å; L422-V583 HydrophobicContact CD1-CG2 3.67Å
423L94.7Very high91.7Very high1 Ų154.5 Ų54.51%0.00527%0.265CS..Hα-helixtrans-56.5-45.4168.5-76171.4000111.8F230 F235 P249 Y403 Y419 Y425 F426 V427F230-L423 HydrophobicContact CE1-CD1 3.74Å; F230-L423 HydrophobicContact CE1-CD2 4.33Å; F230-L423 HydrophobicContact CE2-CD1 4.35Å; F230-L423 HydrophobicContact CZ-CD1 3.39Å; F235-L423 HydrophobicContact CE2-CD2 4.1Å; F235-L423 HydrophobicContact CZ-CD1 4.5Å; F235-L423 HydrophobicContact CZ-CD2 4.39Å; P249-L423 HydrophobicContact CB-CB 4.39Å; P249-L423 HydrophobicContact CG-CB 4.32Å; Y403-L423 WeakPolarHBondContact O-CD2 3.49Å; Y403-L423 WeakPolarHBondContact O-CG 3.43Å; Y419-L423 PolarHBondContact O-N 3.06Å; L423-Y425 VanDerWaalsContact C-N 3.31Å; L423-Y425 PolarHBondContact O-N 3.15Å; L423-F426 WeakPolarHBondContact O-CB 3.27Å; L423-F426 PolarHBondContact O-N 2.93Å; L423-F426 VanDerWaalsContact O-N 3.12Å; L423-V427 VanDerWaalsContact O-CG2 3.31Å; L423-V427 WeakPolarHBondContact O-CG2 3.39Å; L423-V427 PolarHBondContact O-N 3.38Å
424K94.8Very high91.8Very high71 Ų7160.8 Ų60.831%0.30928%0.279SS..Hα-helixtrans-58.6-42.4176-175.2172.1-177160.10112P249 K250 F251 Q420 K421 L422 L428P249-K424 HydrophobicContact CB-CB 3.67Å; P249-K424 HydrophobicContact CB-CG 4.34Å; K250-K424 WeakPolarHBondContact O-CD 3.26Å; K250-K424 VanDerWaalsContact O-CE 3.26Å; K250-K424 WeakPolarHBondContact O-CE 3.39Å; K250-K424 PolarHBondContact O-NZ 3.32Å; F251-K424 HydrophobicContact CD1-CG 4.38Å; F251-K424 HydrophobicContact CE1-CD 4.47Å; F251-K424 HydrophobicContact CE1-CG 3.75Å; F251-K424 HydrophobicContact CZ-CG 4.24Å; Q420-K424 WeakPolarHBondContact O-CB 3.44Å; Q420-K424 PolarHBondContact O-N 2.72Å; K421-K424 WeakPolarHBondContact O-CB 3.35Å; K421-K424 PolarHBondContact O-N 3.08Å; L422-K424 VanDerWaalsContact C-N 3.33Å; L422-K424 PolarHBondContact O-N 2.9Å; K424-L428 HydrophobicContact CG-CD1 4.19Å; K424-L428 WeakPolarHBondContact O-CB 3.42Å; K424-L428 VanDerWaalsContact O-CG 3.26Å; K424-L428 WeakPolarHBondContact O-CG 3.24Å; K424-L428 PolarHBondContact O-N 3.44Å
425Y94.7Very high91.7Very high25 Ų2566 Ų6610%0.09830%0.295CS..Hα-helixtrans-67.1-38.1176.2-64.8-49000112.2K421 L422 L423 N429 R572 M576K421-Y425 HydrophobicContact CB-CE2 4.46Å; K421-Y425 WeakPolarHBondContact O-CD2 3.44Å; K421-Y425 PolarHBondContact O-N 3.38Å; L422-Y425 HydrophobicContact CD2-CD2 4.38Å; L422-Y425 PolarHBondContact O-N 2.55Å; L422-Y425 VanDerWaalsContact O-N 3.16Å; L423-Y425 VanDerWaalsContact C-N 3.31Å; L423-Y425 PolarHBondContact O-N 3.15Å; Y425-N429 WeakPolarHBondContact O-CB 3.38Å; Y425-N429 PolarHBondContact O-N 2.84Å; Y425-N429 PolarHBondContact O-ND2 2.88Å; Y425-R572 HydrophobicContact CE1-CG 4.07Å; Y425-M576 HydrophobicContact CD2-CB 4.45Å; Y425-M576 HydrophobicContact CD2-CG 4.19Å; Y425-M576 HydrophobicContact CD2-SD 4.37Å; Y425-M576 HydrophobicContact CE2-CB 4.04Å; Y425-M576 HydrophobicContact CE2-CG 4.27Å
426F94Very high91.3Very high32 Ų3271.7 Ų71.714%0.1433%0.332CS..Hα-helixtrans-61-51.1174.9172.3-116.9000111.5L232 K400 Y403 R404 L422 L423 L428 N429 A430L232-F426 HydrophobicContact CD1-CE1 4.26Å; L232-F426 HydrophobicContact CD1-CZ 3.84Å; L232-F426 HydrophobicContact CD2-CD1 3.86Å; L232-F426 HydrophobicContact CD2-CE1 3.32Å; L232-F426 HydrophobicContact CD2-CE2 4.49Å; L232-F426 HydrophobicContact CD2-CZ 3.69Å; L232-F426 HydrophobicContact CG-CE1 3.69Å; L232-F426 HydrophobicContact CG-CZ 3.8Å; K400-F426 VanDerWaalsContact CE-CE2 3.44Å; Y403-F426 HydrophobicContact CE2-CB 4.19Å; R404-F426 HydrophobicContact CG-CE1 4.38Å; L422-F426 PolarHBondContact O-N 2.84Å; L423-F426 WeakPolarHBondContact O-CB 3.27Å; L423-F426 PolarHBondContact O-N 2.93Å; L423-F426 VanDerWaalsContact O-N 3.12Å; F426-L428 PolarHBondContact O-N 3.24Å; F426-N429 PolarHBondContact O-N 3.39Å; F426-A430 PolarHBondContact O-N 3.24Å
427V94.2Very high90.8Very high0 Ų075 Ų750%035%0.349CS..Hα-helixtrans-61.7-44.3178.5175.70000111.6L232 F235 F236 P249 F251 L423 N429 A430 L431L232-V427 HydrophobicContact CD2-CG2 4.34Å; F235-V427 HydrophobicContact CB-CG1 4.1Å; F235-V427 HydrophobicContact CB-CG2 3.59Å; F235-V427 HydrophobicContact CD2-CG2 3.54Å; F235-V427 HydrophobicContact CE2-CG2 4.48Å; F235-V427 HydrophobicContact CG-CG2 3.8Å; F236-V427 HydrophobicContact CD1-CG1 3.82Å; F236-V427 HydrophobicContact CE1-CG1 3.85Å; P249-V427 HydrophobicContact CG-CG2 4.07Å; F251-V427 HydrophobicContact CE1-CG1 4.33Å; F251-V427 HydrophobicContact CE2-CG1 4.25Å; F251-V427 HydrophobicContact CZ-CB 3.91Å; F251-V427 HydrophobicContact CZ-CG1 3.57Å; L423-V427 VanDerWaalsContact O-CG2 3.31Å; L423-V427 WeakPolarHBondContact O-CG2 3.39Å; L423-V427 PolarHBondContact O-N 3.38Å; V427-N429 VanDerWaalsContact C-N 3.35Å; V427-N429 PolarHBondContact O-N 3.21Å; V427-A430 PolarHBondContact O-N 3.34Å; V427-L431 WeakPolarHBondContact O-CB 3.31Å; V427-L431 PolarHBondContact O-N 2.69Å
428L93.5Very high90.3Very high48 Ų4879.1 Ų79.125%0.25138%0.377SS..Hα-helixtrans-65.5-36.2178-71.9175.7000113.1F251 K424 F426 A430 H432F251-L428 HydrophobicContact CD1-CD2 4.33Å; F251-L428 HydrophobicContact CE1-CD2 3.94Å; F251-L428 HydrophobicContact CE1-CG 4.03Å; K424-L428 HydrophobicContact CG-CD1 4.19Å; K424-L428 WeakPolarHBondContact O-CB 3.42Å; K424-L428 VanDerWaalsContact O-CG 3.26Å; K424-L428 WeakPolarHBondContact O-CG 3.24Å; K424-L428 PolarHBondContact O-N 3.44Å; F426-L428 PolarHBondContact O-N 3.24Å; L428-A430 VanDerWaalsContact C-N 3.35Å; L428-H432 PolarHBondContact O-CD2 2.88Å; L428-H432 PolarHBondContact O-N 3.22Å
429N92.1Very high89.7Confident93 Ų9386.9 Ų86.950%0.49741%0.413SS..Hα-helixtrans-67.5-38.1175.9-71.9-23.2000111Y425 F426 V427 H433Y425-N429 WeakPolarHBondContact O-CB 3.38Å; Y425-N429 PolarHBondContact O-N 2.84Å; Y425-N429 PolarHBondContact O-ND2 2.88Å; F426-N429 PolarHBondContact O-N 3.39Å; V427-N429 VanDerWaalsContact C-N 3.35Å; V427-N429 PolarHBondContact O-N 3.21Å; N429-H433 WeakPolarHBondContact O-CB 3.23Å; N429-H433 PolarHBondContact O-N 2.96Å
430A92.1Very high89.1Confident34 Ų3494.6 Ų94.628%0.28145%0.447SS..Hα-helixtrans-71.2-46.3177.800000112.2L232 F236 F426 V427 L428 H432 H433L232-A430 HydrophobicContact CD1-CB 4.06Å; L232-A430 HydrophobicContact CD2-CB 3.79Å; F236-A430 HydrophobicContact CE1-CB 4.21Å; F236-A430 HydrophobicContact CZ-CB 3.83Å; F426-A430 PolarHBondContact O-N 3.24Å; V427-A430 PolarHBondContact O-N 3.34Å; L428-A430 VanDerWaalsContact C-N 3.35Å; A430-H432 VanDerWaalsContact C-N 3.34Å; A430-H432 PolarHBondContact O-N 2.94Å; A430-H433 WeakPolarHBondContact O-CB 3.49Å; A430-H433 PolarHBondContact O-N 3.37Å
431L88.9Confident88.5Confident58 Ų58100.1 Ų100.130%0.30447%0.47SS..Hα-helixtrans-62.7-38.3-178.5-173.669.3000112.8F236 K239 V427F236-L431 HydrophobicContact CD1-CB 4.32Å; F236-L431 HydrophobicContact CD1-CD1 3.95Å; F236-L431 HydrophobicContact CE1-CB 3.8Å; F236-L431 HydrophobicContact CE1-CD1 4.1Å; F236-L431 HydrophobicContact CG-CD1 4.17Å; F236-L431 HydrophobicContact CZ-CB 4.32Å; F236-L431 HydrophobicContact CZ-CD1 4.46Å; K239-L431 HydrophobicContact CD-CD2 3.66Å; V427-L431 WeakPolarHBondContact O-CB 3.31Å; V427-L431 PolarHBondContact O-N 2.69Å
432H89.8Confident88Confident133 Ų133107.7 Ų107.762%0.61650%0.497SS*.THydrogen-bonded Turntrans-96.18-179.1-63.6-49.7000113.8L428 A430 R434L428-H432 PolarHBondContact O-CD2 2.88Å; L428-H432 PolarHBondContact O-N 3.22Å; A430-H432 VanDerWaalsContact C-N 3.34Å; A430-H432 PolarHBondContact O-N 2.94Å; H432-R434 PolarHBondContact O-N 3.41Å; H432-R434 VanDerWaalsContact O-N 3.16Å
433H88.8Confident87.6Confident135 Ų135112.8 Ų112.863%0.62552%0.517SS*.  trans-66114.7176.8-178.5-93.7000110.1N429 A430N429-H433 WeakPolarHBondContact O-CB 3.23Å; N429-H433 PolarHBondContact O-N 2.96Å; A430-H433 WeakPolarHBondContact O-CB 3.49Å; A430-H433 PolarHBondContact O-N 3.37Å
434R86Confident87.3Confident222 Ų222115.3 Ų115.384%0.83853%0.53SS*.  trans-105.1138.2170.6-62.8-169.9-179.6-161.8-0.8108.8H432H432-R434 PolarHBondContact O-N 3.41Å; H432-R434 VanDerWaalsContact O-N 3.16Å
435R84.1Confident87.2Confident231 Ų231113.1 Ų113.187%0.87252%0.52SS*.PPolyproline II helixtrans-54.7130.3171.1-67-175.1-179.5-173.90.5108.7K437R435-K437 PolarHBondContact O-N 3.48Å
436P81.1Confident86.9Confident121 Ų121120.3 Ų120.379%0.78655%0.547SS*.PPolyproline II helixtrans-55.4126.3176-24.133.1000109.9
437K81.5Confident86.7Confident168 Ų168122.2 Ų122.273%0.7357%0.565SS**PPolyproline II helixtrans-61.3141.8174.5-65.8-171.9176.6-168.60109.1R435 Q439R435-K437 PolarHBondContact O-N 3.48Å; K437-Q439 WeakPolarHBondContact O-CG 3.28Å; K437-Q439 PolarHBondContact O-N 3.23Å
438P79.2Confident86.6Confident136 Ų136123.7 Ų123.788%0.88357%0.571SS**PPolyproline II helixtrans-59122.8172.224.8-32000108.7
439Q78.6Confident86.5Confident165 Ų165123.1 Ų123.177%0.77157%0.567SS**  trans-129.3146.2-178.4-72.1-179.1600109.7K437 K441K437-Q439 WeakPolarHBondContact O-CG 3.28Å; K437-Q439 PolarHBondContact O-N 3.23Å; Q439-K441 PolarHBondContact O-N 2.81Å
440K81.1Confident86.3Confident184 Ų184122.8 Ų122.880%0.858%0.577SS**  trans-59120.6170.7-174.2172.9-177.11730108.6R442K440-R442 PolarHBondContact O-N 3.5Å; K440-R442 VanDerWaalsContact O-N 3.09Å
441K80.2Confident86.3Confident167 Ų167123.6 Ų123.673%0.72658%0.578SS**  trans-60.2113.2177.4-67.4174.3175.3178.10109Q439 Y443Q439-K441 PolarHBondContact O-N 2.81Å; K441-Y443 HydrophobicContact CB-CD2 4.4Å; K441-Y443 HydrophobicContact CB-CE2 3.79Å; K441-Y443 HydrophobicContact CD-CE2 4.32Å
442R83.7Confident86.3Confident234 Ų234128.7 Ų128.788%0.88360%0.598SS**  trans-107.6101.9177-67.7-178.9-177.5-170.6-0.8109.2K440K440-R442 PolarHBondContact O-N 3.5Å; K440-R442 VanDerWaalsContact O-N 3.09Å
443Y86.2Confident86.5Confident110 Ų110127.5 Ų127.543%0.43159%0.591SS.*  trans-92.7101.6-178.8-66.9-71000111.1K441 R446 S447K441-Y443 HydrophobicContact CB-CD2 4.4Å; K441-Y443 HydrophobicContact CB-CE2 3.79Å; K441-Y443 HydrophobicContact CD-CE2 4.32Å; Y443-R446 HydrophobicContact CG-CG 4.42Å; Y443-S447 PolarHBondContact O-N 3.4Å; Y443-S447 VanDerWaalsContact O-N 3.08Å; Y443-S447 PolarHBondContact O-OG 3.36Å
444L89.3Confident86.7Confident54 Ų54121.9 Ų121.928%0.28357%0.565SS.*Hα-helixtrans-58.6-51.6-178.1-175.164000112.2Y67 S447 F448Y67-L444 HydrophobicContact CD1-CD2 4.45Å; Y67-L444 HydrophobicContact CE1-CD1 4.44Å; L444-S447 WeakPolarHBondContact O-CB 3.07Å; L444-S447 PolarHBondContact O-N 2.88Å; L444-F448 HydrophobicContact CD1-CE1 3.84Å; L444-F448 HydrophobicContact CD1-CE2 3.82Å; L444-F448 HydrophobicContact CD1-CZ 3.45Å; L444-F448 VanDerWaalsContact CD1-CZ 3.45Å; L444-F448 HydrophobicContact CD2-CE2 4.09Å; L444-F448 HydrophobicContact CD2-CZ 4.41Å; L444-F448 HydrophobicContact CG-CD2 4.19Å; L444-F448 HydrophobicContact CG-CE2 3.7Å; L444-F448 HydrophobicContact CG-CZ 3.91Å; L444-F448 PolarHBondContact O-N 3.27Å
445F91.7Very high87.1Confident26 Ų26113.4 Ų113.411%0.11454%0.535CS..Hα-helixtrans-73.5-30.6-175.5-62.9-13000113.8K74 L92 F101 V102 S447 F448 K449K74-F445 HydrophobicContact CD-CE2 4.14Å; K74-F445 HydrophobicContact CG-CE2 3.71Å; K74-F445 HydrophobicContact CG-CZ 3.75Å; L92-F445 HydrophobicContact CD2-CB 4.17Å; F101-F445 HydrophobicContact CB-CE1 4.12Å; F101-F445 HydrophobicContact CB-CE2 4.2Å; F101-F445 HydrophobicContact CB-CZ 3.82Å; F101-F445 AromaticContact CD1-CE1 3.68Å; F101-F445 HydrophobicContact CD1-CE1 3.68Å; F101-F445 AromaticContact CD1-CZ 3.71Å; F101-F445 HydrophobicContact CD1-CZ 3.71Å; F101-F445 HydrophobicContact CD2-CE1 4.31Å; F101-F445 HydrophobicContact CE1-CE1 4.14Å; F101-F445 AromaticContact CG-CE1 3.8Å; F101-F445 HydrophobicContact CG-CE1 3.8Å; F101-F445 AromaticContact CG-CZ 3.9Å; F101-F445 HydrophobicContact CG-CZ 3.9Å; V102-F445 WeakPolarHBondContact O-CE2 3.34Å; F445-S447 VanDerWaalsContact C-N 3.29Å; F445-F448 HydrophobicContact CD1-CD2 4.18Å; F445-F448 PolarHBondContact O-N 3.26Å; F445-K449 VanDerWaalsContact O-CB 3.28Å; F445-K449 WeakPolarHBondContact O-CB 3.44Å; F445-K449 PolarHBondContact O-N 3.44Å
446R88.5Confident87.5Confident175 Ų175102.8 Ų102.866%0.6650%0.495SS*.Hα-helixtrans-64.9-38.6170-65.2-172.7179.7-172-2.8110.9Y443 K449 A450Y443-R446 HydrophobicContact CG-CG 4.42Å; R446-K449 PolarHBondContact O-N 3.36Å; R446-A450 WeakPolarHBondContact O-CB 3.22Å; R446-A450 PolarHBondContact O-N 3.21Å
447S91Very high88.2Confident73 Ų7397 Ų9751%0.5146%0.458SS..Hα-helixtrans-65.1-42.4175.2-50.70000111.2Y443 L444 F445 T451Y443-S447 PolarHBondContact O-N 3.4Å; Y443-S447 VanDerWaalsContact O-N 3.08Å; Y443-S447 PolarHBondContact O-OG 3.36Å; L444-S447 WeakPolarHBondContact O-CB 3.07Å; L444-S447 PolarHBondContact O-N 2.88Å; F445-S447 VanDerWaalsContact C-N 3.29Å; S447-T451 WeakPolarHBondContact O-CG2 3.44Å
448F91.8Very high88.7Confident31 Ų3191.4 Ų91.414%0.13644%0.44CS..Hα-helixtrans-66.9-45.8175.1-68.7-15000112.5Y67 L92 F101 L444 F445 A450 T451 F454Y67-F448 HydrophobicContact CD1-CE2 4.44Å; Y67-F448 HydrophobicContact CD1-CZ 4.15Å; Y67-F448 AromaticContact CE1-CZ 3.89Å; Y67-F448 HydrophobicContact CE1-CZ 3.89Å; Y67-F448 HydrophobicContact CE2-CZ 4.35Å; Y67-F448 HydrophobicContact CG-CZ 4.48Å; L92-F448 HydrophobicContact CD2-CB 3.73Å; F101-F448 AromaticContact CE2-CD2 3.98Å; F101-F448 HydrophobicContact CE2-CD2 3.98Å; F101-F448 AromaticContact CE2-CE2 3.97Å; F101-F448 HydrophobicContact CE2-CE2 3.97Å; F101-F448 HydrophobicContact CZ-CE2 4.07Å; L444-F448 HydrophobicContact CD1-CE1 3.84Å; L444-F448 HydrophobicContact CD1-CE2 3.82Å; L444-F448 HydrophobicContact CD1-CZ 3.45Å; L444-F448 VanDerWaalsContact CD1-CZ 3.45Å; L444-F448 HydrophobicContact CD2-CE2 4.09Å; L444-F448 HydrophobicContact CD2-CZ 4.41Å; L444-F448 HydrophobicContact CG-CD2 4.19Å; L444-F448 HydrophobicContact CG-CE2 3.7Å; L444-F448 HydrophobicContact CG-CZ 3.91Å; L444-F448 PolarHBondContact O-N 3.27Å; F445-F448 HydrophobicContact CD1-CD2 4.18Å; F445-F448 PolarHBondContact O-N 3.26Å; F448-A450 PolarHBondContact O-N 3.05Å; F448-T451 WeakPolarHBondContact O-CB 3.17Å; F448-T451 PolarHBondContact O-N 2.73Å; F448-T451 PolarHBondContact O-OG1 2.85Å; F448-F454 HydrophobicContact CB-CD2 3.83Å; F448-F454 HydrophobicContact CB-CE2 4.05Å; F448-F454 HydrophobicContact CB-CG 4.09Å; F448-F454 HydrophobicContact CD1-CE2 4.3Å; F448-F454 HydrophobicContact CD2-CE2 4.35Å; F448-F454 HydrophobicContact CD2-CZ 4.17Å; F448-F454 HydrophobicContact CG-CD2 4.3Å; F448-F454 HydrophobicContact CG-CE2 4.01Å; F448-F454 HydrophobicContact CG-CZ 4.3Å
449K90Very high89.5Confident36 Ų3685.2 Ų85.216%0.15740%0.399CS..Hα-helixtrans-58.1-35.7177.3-174.5177178.5176.50112.2K31 L92 F445 R446 T451 I456K31-K449 HydrophobicContact CD-CG 4.41Å; K31-K449 WeakPolarHBondContact CD-O 3.09Å; K31-K449 WeakPolarHBondContact CE-O 3.2Å; K31-K449 PolarHBondContact NZ-O 3.29Å; K31-K449 PolarHBondContact O-NZ 2.98Å; L92-K449 HydrophobicContact CD1-CB 3.86Å; L92-K449 HydrophobicContact CD1-CG 4.16Å; L92-K449 HydrophobicContact CD2-CB 4.5Å; F445-K449 VanDerWaalsContact O-CB 3.28Å; F445-K449 WeakPolarHBondContact O-CB 3.44Å; F445-K449 PolarHBondContact O-N 3.44Å; R446-K449 PolarHBondContact O-N 3.36Å; K449-T451 PolarHBondContact O-N 3.42Å; K449-I456 HydrophobicContact CD-CD1 4.37Å
450A89.6Confident90.2Very high86 Ų8677.5 Ų77.571%0.71136%0.364SS*.THydrogen-bonded Turntrans-68.8-17.8175.900000113.5R446 F448R446-A450 WeakPolarHBondContact O-CB 3.22Å; R446-A450 PolarHBondContact O-N 3.21Å; F448-A450 PolarHBondContact O-N 3.05Å
451T90.6Very high91Very high50 Ų5068.8 Ų68.831%0.30733%0.325SS..SBendtrans-82.4152.9175.672.40000111.9K31 S447 F448 K449 F453K31-T451 PolarHBondContact NZ-O 3.35Å; S447-T451 WeakPolarHBondContact O-CG2 3.44Å; F448-T451 WeakPolarHBondContact O-CB 3.17Å; F448-T451 PolarHBondContact O-N 2.73Å; F448-T451 PolarHBondContact O-OG1 2.85Å; K449-T451 PolarHBondContact O-N 3.42Å; T451-F453 PolarHBondContact O-N 3.03Å
452K90.7Very high91.7Very high166 Ų16661 Ų6172%0.72229%0.292SS*.THydrogen-bonded Turntrans-65.7-17.517366.2179.6-179.3179.60114.4
453F92.6Very high92.3Very high107 Ų10750 Ų5047%0.46925%0.251SS..THydrogen-bonded Turntrans-80.7-12.9-174.2-61.6-69.1000114.4H94 I95 T451H94-F453 CarbonylContact C-O 3.48Å; H94-F453 WeakPolarHBondContact CA-O 3.23Å; I95-F453 PolarHBondContact N-O 3.11Å; T451-F453 PolarHBondContact O-N 3.03Å
454F93.8Very high92.7Very high18 Ų1844.9 Ų44.98%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-121.5134-178.6-75.8-90.4000111.6K31 L92 Y93 H94 I99 F101 F448K31-F454 PolarHBondContact NZ-O 2.8Å; L92-F454 HydrophobicContact CD1-CB 3.85Å; L92-F454 HydrophobicContact CD2-CB 4.42Å; L92-F454 HydrophobicContact CD2-CD1 4.21Å; L92-F454 HydrophobicContact CD2-CG 4.45Å; L92-F454 HydrophobicContact CG-CB 4.01Å; L92-F454 HydrophobicContact CG-CD1 3.91Å; L92-F454 HydrophobicContact CG-CG 4.29Å; Y93-F454 VanDerWaalsContact C-CD1 3.5Å; Y93-F454 CarbonylContact O-C 3.57Å; Y93-F454 VanDerWaalsContact O-CA 3.23Å; Y93-F454 WeakPolarHBondContact O-CA 3.27Å; Y93-F454 WeakPolarHBondContact O-CD1 3.5Å; H94-F454 HydrophobicContact CB-CD1 4.38Å; H94-F454 HydrophobicContact CB-CE1 3.99Å; H94-F454 HydrophobicContact CB-CZ 4.31Å; H94-F454 AromaticContact CD2-CE2 3.9Å; H94-F454 AromaticContact CD2-CZ 3.9Å; I99-F454 HydrophobicContact CG2-CE1 4.09Å; I99-F454 HydrophobicContact CG2-CZ 4.3Å; F101-F454 AromaticContact CD2-CE1 3.97Å; F101-F454 HydrophobicContact CD2-CE1 3.97Å; F101-F454 AromaticContact CE2-CE1 3.67Å; F101-F454 HydrophobicContact CE2-CE1 3.67Å; F101-F454 HydrophobicContact CE2-CZ 4.05Å; F448-F454 HydrophobicContact CB-CD2 3.83Å; F448-F454 HydrophobicContact CB-CE2 4.05Å; F448-F454 HydrophobicContact CB-CG 4.09Å; F448-F454 HydrophobicContact CD1-CE2 4.3Å; F448-F454 HydrophobicContact CD2-CE2 4.35Å; F448-F454 HydrophobicContact CD2-CZ 4.17Å; F448-F454 HydrophobicContact CG-CD2 4.3Å; F448-F454 HydrophobicContact CG-CE2 4.01Å; F448-F454 HydrophobicContact CG-CZ 4.3Å
455Q93.1Very high93Very high44 Ų4442.3 Ų42.321%0.20622%0.217CC..EExtended strand (participates in β ladder)trans-116.4163.4174.1-57.6-62.310.600110.8M34 L92 Y93 I95M34-Q455 HydrophobicContact CG-CB 3.88Å; M34-Q455 HydrophobicContact CG-CG 4.36Å; L92-Q455 WeakPolarHBondContact CA-O 3.24Å; Y93-Q455 WeakPolarHBondContact CD1-O 3.14Å; Y93-Q455 HydrophobicContact CE1-CB 3.89Å; Y93-Q455 HydrophobicContact CE2-CB 4.07Å; Y93-Q455 PolarHBondContact N-O 3.2Å; Y93-Q455 PolarHBondContact O-N 2.86Å; I95-Q455 HydrophobicContact CD1-CG 4.08Å
456I93.8Very high93.1Very high7 Ų741.7 Ų41.74%0.03622%0.215CC..EExtended strand (participates in β ladder)trans-114.6144.8-178.4-168.9170.4000110.2K31 D32 E33 M34 V91 K449K31-I456 HydrophobicContact CB-CG2 4.4Å; D32-I456 WeakPolarHBondContact O-CG2 3.27Å; E33-I456 HydrophobicContact CG-CG2 4.3Å; M34-I456 WeakPolarHBondContact CB-O 3.23Å; M34-I456 PolarHBondContact N-O 3.38Å; V91-I456 VanDerWaalsContact O-CA 3.26Å; V91-I456 WeakPolarHBondContact O-CA 3.38Å; V91-I456 WeakPolarHBondContact O-CG1 3.4Å; K449-I456 HydrophobicContact CD-CD1 4.37Å
457T94.6Very high93.4Very high0 Ų033.8 Ų33.80%019%0.185CC..EExtended strand (participates in β ladder)trans-155.7167.1176.2-174.50000108.5M34 V39 V91 Y93 L459M34-T457 WeakPolarHBondContact O-CB 3.22Å; M34-T457 PolarHBondContact O-OG1 2.96Å; V39-T457 HydrophobicContact CG1-CG2 4.09Å; V91-T457 HydrophobicContact CB-CG2 4.07Å; V91-T457 HydrophobicContact CG1-CG2 4.43Å; V91-T457 PolarHBondContact N-O 3.49Å; V91-T457 PolarHBondContact O-N 2.85Å; V91-T457 VanDerWaalsContact O-N 3.08Å; Y93-T457 HydrophobicContact CD1-CG2 3.81Å; Y93-T457 HydrophobicContact CE1-CG2 3.62Å; T457-L459 HydrophobicContact CG2-CD1 4.32Å; T457-L459 HydrophobicContact CG2-CG 3.97Å
458S93.8Very high93.6Very high51 Ų5130.3 Ų30.336%0.35716%0.161SC..EExtended strand (participates in β ladder)trans-95.7144.7159.348.20000109.7
459L94.5Very high93.8Very high5 Ų529.1 Ų29.13%0.02616%0.157CC..EExtended strand (participates in β ladder)trans-148.7156.1172.6-66.9176.5000109.4P36 V39 D88 V89 V91 T457 E463 V464P36-L459 HydrophobicContact CB-CD2 3.36Å; V39-L459 HydrophobicContact CG1-CD1 3.82Å; V39-L459 HydrophobicContact CG1-CD2 4.09Å; V39-L459 HydrophobicContact CG1-CG 4.37Å; D88-L459 CarbonylContact C-O 3.6Å; D88-L459 WeakPolarHBondContact CA-O 3.43Å; V89-L459 PolarHBondContact N-O 3.41Å; V89-L459 PolarHBondContact O-N 3.4Å; V89-L459 VanDerWaalsContact O-N 3.1Å; V91-L459 HydrophobicContact CG1-CD1 4.48Å; V91-L459 HydrophobicContact CG2-CB 4.16Å; V91-L459 HydrophobicContact CG2-CD1 4.34Å; V91-L459 HydrophobicContact CG2-CG 4.43Å; T457-L459 HydrophobicContact CG2-CD1 4.32Å; T457-L459 HydrophobicContact CG2-CG 3.97Å; L459-E463 WeakPolarHBondContact CD2-OE2 3.09Å; L459-V464 HydrophobicContact CB-CG2 3.67Å; L459-V464 HydrophobicContact CD1-CG2 3.89Å; L459-V464 HydrophobicContact CG-CG2 4.43Å
460D94.8Very high94Very high4 Ų429.9 Ų29.92%0.02116%0.158CC..EExtended strand (participates in β ladder)trans-59.8138.9167.7-177-2.9000110.4D88 Y151 V462 E463 V464 R537D88-D460 PolarHBondContact OD1-N 3.13Å; Y151-D460 HydrophobicContact CE2-CB 4.17Å; Y151-D460 VanDerWaalsContact CE2-OD2 3.3Å; Y151-D460 WeakPolarHBondContact CE2-OD2 3.08Å; Y151-D460 WeakPolarHBondContact OH-CB 3.29Å; Y151-D460 PolarHBondContact OH-OD2 3.42Å; D460-V462 PolarHBondContact O-N 2.87Å; D460-V462 PolarHBondContact OD1-N 3.15Å; D460-V462 VanDerWaalsContact OD1-N 3.14Å; D460-E463 HydrophobicContact CB-CB 4.29Å; D460-E463 WeakPolarHBondContact O-CB 3.44Å; D460-E463 PolarHBondContact O-N 2.78Å; D460-E463 VanDerWaalsContact O-N 3.13Å; D460-V464 WeakPolarHBondContact O-CG2 3.43Å; D460-V464 PolarHBondContact O-N 3.22Å; D460-R537 IonicContact OD1-NH1 2.74Å; D460-R537 IonicContact OD2-CZ 3.7Å; D460-R537 IonicContact OD2-NH1 3.65Å; D460-R537 PolarHBondContact OD2-NH1 3.05Å; D460-R537 IonicContact OD2-NH2 2.69Å
461W96.7Very high94.2Very high0 Ų025.9 Ų25.90%013%0.125CC..Hα-helixtrans-53.1-38.6175.1-173.992.8000113L75 N78 M79 P80 R87 V464 G465 I529 V530 H533L75-W461 HydrophobicContact CD1-CD2 4.24Å; L75-W461 HydrophobicContact CD1-CG 4.44Å; L75-W461 HydrophobicContact CD1-CZ2 4.01Å; L75-W461 HydrophobicContact CG-CZ2 3.99Å; L75-W461 PolarHBondContact O-NE1 3.27Å; N78-W461 PolarHBondContact O-NE1 3.11Å; M79-W461 HydrophobicContact CB-CZ2 4.12Å; M79-W461 HydrophobicContact CG-CH2 4.05Å; M79-W461 HydrophobicContact CG-CZ2 3.89Å; P80-W461 HydrophobicContact CG-CB 4.27Å; P80-W461 HydrophobicContact CG-CD2 4.27Å; P80-W461 HydrophobicContact CG-CE3 4.25Å; P80-W461 HydrophobicContact CG-CG 4.28Å; R87-W461 WeakPolarHBondContact O-CB 3.34Å; R87-W461 PolarHBondContact O-N 2.8Å; W461-V464 PolarHBondContact O-N 2.95Å; W461-G465 PolarHBondContact O-N 3.03Å; W461-I529 HydrophobicContact CH2-CG2 4.09Å; W461-V530 HydrophobicContact CH2-CG2 4.05Å; W461-V530 HydrophobicContact CZ3-CG2 4.33Å; W461-H533 AromaticContact CH2-CD2 3.88Å; W461-H533 HydrophobicContact CZ3-CB 4.09Å; W461-H533 AromaticContact CZ3-CD2 3.51Å; W461-H533 AromaticContact CZ3-CG 3.81Å
462V95.3Very high94.5Very high3 Ų323.5 Ų23.52%0.01811%0.11CC..Hα-helixtrans-66.6-42.21791790000110.8Y151 I155 D460 V464 G465 L466 H533 V534 R537Y151-V462 HydrophobicContact CD2-CG1 4.43Å; Y151-V462 HydrophobicContact CE2-CB 4.37Å; I155-V462 HydrophobicContact CD1-CG1 4.1Å; D460-V462 PolarHBondContact O-N 2.87Å; D460-V462 PolarHBondContact OD1-N 3.15Å; D460-V462 VanDerWaalsContact OD1-N 3.14Å; V462-V464 PolarHBondContact O-N 3.48Å; V462-G465 PolarHBondContact O-N 3.34Å; V462-L466 HydrophobicContact CG1-CD1 4.35Å; V462-L466 WeakPolarHBondContact O-CG 3.29Å; V462-L466 PolarHBondContact O-N 3.27Å; V462-H533 HydrophobicContact CG2-CB 4.04Å; V462-V534 HydrophobicContact CG1-CG2 3.72Å; V462-R537 HydrophobicContact CG2-CG 4.26Å
463E95.4Very high94.7Very high5 Ų516.6 Ų16.62%0.0238%0.08CC..Hα-helixtrans-59-47.9175-173.8174.5174.700110.7R40 Y151 L459 D460 G465 L466 Q467R40-E463 IonicContact CZ-OE1 3.23Å; R40-E463 IonicContact CZ-OE2 3.18Å; R40-E463 IonicContact NE-OE1 2.66Å; R40-E463 PolarHBondContact NE-OE1 3.15Å; R40-E463 IonicContact NE-OE2 2.73Å; R40-E463 IonicContact NH2-OE1 2.74Å; R40-E463 IonicContact NH2-OE2 3.08Å; R40-E463 PolarHBondContact NH2-OE2 3.2Å; Y151-E463 HydrophobicContact CD1-CB 3.75Å; Y151-E463 HydrophobicContact CD1-CG 3.7Å; Y151-E463 WeakPolarHBondContact CD1-OE2 3.25Å; Y151-E463 HydrophobicContact CD2-CB 3.75Å; Y151-E463 HydrophobicContact CD2-CG 4.37Å; Y151-E463 HydrophobicContact CE1-CB 3.95Å; Y151-E463 HydrophobicContact CE1-CG 4.26Å; Y151-E463 WeakPolarHBondContact CE1-OE2 3.33Å; Y151-E463 HydrophobicContact CE2-CB 3.95Å; Y151-E463 HydrophobicContact CG-CB 3.65Å; Y151-E463 HydrophobicContact CG-CG 3.77Å; L459-E463 WeakPolarHBondContact CD2-OE2 3.09Å; D460-E463 HydrophobicContact CB-CB 4.29Å; D460-E463 WeakPolarHBondContact O-CB 3.44Å; D460-E463 PolarHBondContact O-N 2.78Å; D460-E463 VanDerWaalsContact O-N 3.13Å; E463-G465 VanDerWaalsContact C-N 3.3Å; E463-G465 PolarHBondContact O-N 2.84Å; E463-L466 PolarHBondContact O-N 2.83Å; E463-Q467 VanDerWaalsContact O-CG 3.3Å; E463-Q467 WeakPolarHBondContact O-CG 3.46Å; E463-Q467 PolarHBondContact O-N 3.37Å; E463-Q467 PolarHBondContact OE1-NE2 3.02Å
464V95.5Very high94.8Very high1 Ų111.8 Ų11.81%0.0066%0.059CC..Hα-helixtrans-63.1-38.9177.7-176.60000111.4L75 V89 V91 T100 V102 L459 D460 W461 V462 Q467 V468L75-V464 HydrophobicContact CD1-CB 4.35Å; L75-V464 HydrophobicContact CD1-CG1 4.14Å; V89-V464 HydrophobicContact CG2-CG2 4.14Å; V91-V464 HydrophobicContact CG2-CG1 4.45Å; V91-V464 HydrophobicContact CG2-CG2 3.42Å; V91-V464 VanDerWaalsContact CG2-CG2 3.42Å; T100-V464 HydrophobicContact CG2-CG1 3.86Å; V102-V464 HydrophobicContact CG2-CG1 3.81Å; L459-V464 HydrophobicContact CB-CG2 3.67Å; L459-V464 HydrophobicContact CD1-CG2 3.89Å; L459-V464 HydrophobicContact CG-CG2 4.43Å; D460-V464 WeakPolarHBondContact O-CG2 3.43Å; D460-V464 PolarHBondContact O-N 3.22Å; W461-V464 PolarHBondContact O-N 2.95Å; V462-V464 PolarHBondContact O-N 3.48Å; V464-Q467 PolarHBondContact O-N 3.18Å; V464-V468 HydrophobicContact CG1-CG2 4.29Å; V464-V468 WeakPolarHBondContact O-CB 3.29Å; V464-V468 VanDerWaalsContact O-CG2 3.3Å; V464-V468 WeakPolarHBondContact O-CG2 3.44Å; V464-V468 PolarHBondContact O-N 3.17Å
465G94.9Very high94.9Very high0 Ų010.9 Ų10.90%06%0.055CC..Hα-helixtrans-59.3-47.3176.100000112.5W461 V462 E463 V468 C469W461-G465 PolarHBondContact O-N 3.03Å; V462-G465 PolarHBondContact O-N 3.34Å; E463-G465 VanDerWaalsContact C-N 3.3Å; E463-G465 PolarHBondContact O-N 2.84Å; G465-V468 PolarHBondContact O-N 3.41Å; G465-C469 PolarHBondContact O-N 3.04Å; G465-C469 PolarHBondContact O-SG 3.39Å
466L94.7Very high95Very high13 Ų138.8 Ų8.87%0.0685%0.046CC..Hα-helixtrans-63.7-42.9175.8-72.4172.1000111.5P148 I155 V462 E463 V468 C469 R470 V530 V534P148-L466 HydrophobicContact CB-CD2 4.39Å; I155-L466 HydrophobicContact CD1-CD1 3.72Å; V462-L466 HydrophobicContact CG1-CD1 4.35Å; V462-L466 WeakPolarHBondContact O-CG 3.29Å; V462-L466 PolarHBondContact O-N 3.27Å; E463-L466 PolarHBondContact O-N 2.83Å; L466-V468 PolarHBondContact O-N 3.28Å; L466-C469 PolarHBondContact O-N 3.22Å; L466-R470 WeakPolarHBondContact O-CB 3.49Å; L466-R470 PolarHBondContact O-N 2.92Å; L466-V530 HydrophobicContact CD2-CG1 4.17Å; L466-V530 HydrophobicContact CG-CG1 4.19Å; L466-V534 HydrophobicContact CD1-CG2 4.24Å; L466-V534 HydrophobicContact CD2-CG2 4.03Å; L466-V534 HydrophobicContact CG-CG2 4.24Å
467Q94.8Very high95Very high9 Ų99.7 Ų9.74%0.0425%0.05CC..Hα-helixtrans-59.2-47.6175-71.2179.91400111.9I43 T100 E463 V464 C469 R470 Q471I43-Q467 HydrophobicContact CG1-CG 4.28Å; I43-Q467 HydrophobicContact CG2-CG 4.4Å; T100-Q467 PolarHBondContact OG1-OE1 3.19Å; T100-Q467 VanDerWaalsContact OG1-OE1 3.13Å; E463-Q467 VanDerWaalsContact O-CG 3.3Å; E463-Q467 WeakPolarHBondContact O-CG 3.46Å; E463-Q467 PolarHBondContact O-N 3.37Å; E463-Q467 PolarHBondContact OE1-NE2 3.02Å; V464-Q467 PolarHBondContact O-N 3.18Å; Q467-C469 VanDerWaalsContact C-N 3.33Å; Q467-C469 PolarHBondContact O-N 2.81Å; Q467-R470 PolarHBondContact O-N 2.82Å; Q467-Q471 VanDerWaalsContact O-CB 3.3Å; Q467-Q471 WeakPolarHBondContact O-CB 3.15Å; Q467-Q471 WeakPolarHBondContact O-CG 3.31Å; Q467-Q471 PolarHBondContact O-N 3Å
468V95.5Very high95Very high1 Ų110.6 Ų10.61%0.0066%0.055CC..Hα-helixtrans-63.6-38.3178.9170.70000111.3M68 V72 L75 V464 G465 L466 G472M68-V468 HydrophobicContact SD-CG1 3.9Å; V72-V468 HydrophobicContact CG2-CG1 4.33Å; L75-V468 HydrophobicContact CD2-CB 4.23Å; L75-V468 HydrophobicContact CD2-CG1 4.29Å; L75-V468 HydrophobicContact CD2-CG2 4.46Å; V464-V468 HydrophobicContact CG1-CG2 4.29Å; V464-V468 WeakPolarHBondContact O-CB 3.29Å; V464-V468 VanDerWaalsContact O-CG2 3.3Å; V464-V468 WeakPolarHBondContact O-CG2 3.44Å; V464-V468 PolarHBondContact O-N 3.17Å; G465-V468 PolarHBondContact O-N 3.41Å; L466-V468 PolarHBondContact O-N 3.28Å; V468-G472 PolarHBondContact O-N 2.96Å
469C94.9Very high95.1Very high5 Ų58.1 Ų8.13%0.0344%0.038CC..Hα-helixtrans-64.2-48175.1-68.50000111.6G465 L466 Q467 G472 Y473G465-C469 PolarHBondContact O-N 3.04Å; G465-C469 PolarHBondContact O-SG 3.39Å; L466-C469 PolarHBondContact O-N 3.22Å; Q467-C469 VanDerWaalsContact C-N 3.33Å; Q467-C469 PolarHBondContact O-N 2.81Å; C469-G472 PolarHBondContact O-N 2.79Å; C469-Y473 WeakPolarHBondContact O-CB 3.22Å; C469-Y473 PolarHBondContact O-N 3.2Å
470R94.5Very high95.1Very high52 Ų527.9 Ų7.920%0.1964%0.037CC..Hα-helixtrans-61.9-46.1177.3-173175.1-69-169.1-0.8111.7P148 D150 L466 Q467 G472 Y473 N474P148-R470 PolarHBondContact O-NH2 2.92Å; D150-R470 IonicContact OD2-NH1 3.29Å; L466-R470 WeakPolarHBondContact O-CB 3.49Å; L466-R470 PolarHBondContact O-N 2.92Å; Q467-R470 PolarHBondContact O-N 2.82Å; R470-G472 PolarHBondContact O-N 3.48Å; R470-Y473 PolarHBondContact O-N 3.46Å; R470-N474 WeakPolarHBondContact O-CB 3.3Å; R470-N474 VanDerWaalsContact O-CG 3.29Å; R470-N474 PolarHBondContact O-N 2.91Å
471Q94.9Very high95Very high2 Ų211.8 Ų11.81%0.0096%0.055CC..Hα-helixtrans-59.2-47.4175-73.9166.9-7.600111.6I43 M68 G97 T100 Q467 Y473 N474 M475I43-Q471 HydrophobicContact CD1-CG 4.27Å; I43-Q471 VanDerWaalsContact CD1-NE2 3.34Å; M68-Q471 HydrophobicContact CE-CB 4.1Å; G97-Q471 PolarHBondContact O-NE2 3.15Å; T100-Q471 PolarHBondContact OG1-NE2 2.9Å; Q467-Q471 VanDerWaalsContact O-CB 3.3Å; Q467-Q471 WeakPolarHBondContact O-CB 3.15Å; Q467-Q471 WeakPolarHBondContact O-CG 3.31Å; Q467-Q471 PolarHBondContact O-N 3Å; Q471-Y473 PolarHBondContact O-N 3.42Å; Q471-N474 PolarHBondContact O-N 2.76Å; Q471-M475 HydrophobicContact CB-CE 4.36Å; Q471-M475 WeakPolarHBondContact O-CG 3.29Å; Q471-M475 PolarHBondContact O-N 2.78Å
472G95.1Very high94.8Very high0 Ų018.4 Ų18.40%08%0.08CC..Hα-helixtrans-60.5-41.3177.600000113.2V468 C469 R470 L476V468-G472 PolarHBondContact O-N 2.96Å; C469-G472 PolarHBondContact O-N 2.79Å; R470-G472 PolarHBondContact O-N 3.48Å; G472-L476 WeakPolarHBondContact O-CG 3.37Å; G472-L476 PolarHBondContact O-N 3.46Å
473Y95.3Very high94.7Very high21 Ų2120.4 Ų20.48%0.0829%0.088CC..Hα-helixtrans-60.4-53174.1179.3-96.8000111.1C469 R470 Q471 M475 L476 N477 L490 D491 Y492C469-Y473 WeakPolarHBondContact O-CB 3.22Å; C469-Y473 PolarHBondContact O-N 3.2Å; R470-Y473 PolarHBondContact O-N 3.46Å; Q471-Y473 PolarHBondContact O-N 3.42Å; Y473-M475 VanDerWaalsContact C-N 3.34Å; Y473-M475 PolarHBondContact O-N 2.97Å; Y473-L476 PolarHBondContact O-N 3.33Å; Y473-N477 HydrophobicContact CE1-CB 4.46Å; Y473-N477 WeakPolarHBondContact O-CB 3.31Å; Y473-N477 PolarHBondContact O-N 3.47Å; Y473-L490 HydrophobicContact CD2-CD2 4.01Å; Y473-L490 HydrophobicContact CD2-CG 4.28Å; Y473-L490 HydrophobicContact CE2-CB 4.33Å; Y473-L490 HydrophobicContact CE2-CD2 4.13Å; Y473-L490 HydrophobicContact CE2-CG 4.04Å; Y473-L490 WeakPolarHBondContact CE2-O 3.03Å; Y473-L490 PolarHBondContact OH-O 3.05Å; Y473-D491 WeakPolarHBondContact CE2-O 3.37Å; Y473-Y492 HydrophobicContact CD1-CD1 4.38Å; Y473-Y492 HydrophobicContact CD1-CE1 4.2Å; Y473-Y492 HydrophobicContact CD2-CD1 4.1Å; Y473-Y492 HydrophobicContact CE1-CD1 4.2Å; Y473-Y492 AromaticContact CE1-CE1 3.77Å; Y473-Y492 HydrophobicContact CE1-CE1 3.77Å; Y473-Y492 AromaticContact CE2-CD1 3.91Å; Y473-Y492 HydrophobicContact CE2-CD1 3.91Å; Y473-Y492 HydrophobicContact CE2-CE1 4.21Å; Y473-Y492 HydrophobicContact CG-CD1 4.34Å; Y473-Y492 AromaticContact CZ-CD1 3.97Å; Y473-Y492 AromaticContact CZ-CE1 3.78Å
474N94.9Very high94.5Very high6 Ų625.3 Ų25.33%0.03212%0.115CC..Hα-helixtrans-58.4-43.3180-71.8-13.8000112.1G47 Y61 R470 Q471 L476 N477 L478G47-N474 PolarHBondContact O-ND2 3.43Å; Y61-N474 HydrophobicContact CD1-CB 4.31Å; Y61-N474 HydrophobicContact CE1-CB 4.44Å; R470-N474 WeakPolarHBondContact O-CB 3.3Å; R470-N474 VanDerWaalsContact O-CG 3.29Å; R470-N474 PolarHBondContact O-N 2.91Å; Q471-N474 PolarHBondContact O-N 2.76Å; N474-L476 PolarHBondContact O-N 2.87Å; N474-N477 PolarHBondContact O-N 3.37Å; N474-L478 VanDerWaalsContact O-CB 3.24Å; N474-L478 WeakPolarHBondContact O-CB 3.45Å; N474-L478 WeakPolarHBondContact O-CG 3.39Å; N474-L478 PolarHBondContact O-N 3.25Å
475M95.3Very high94.4Very high0 Ų025.3 Ų25.30%012%0.115CC..Hα-helixtrans-60.7-45177.6-70.6177.1-170.200112.9Y61 A64 L65 M68 A98 I99 Q471 Y473 L479Y61-M475 WeakPolarHBondContact O-CG 3.26Å; A64-M475 HydrophobicContact CB-CE 3.57Å; L65-M475 WeakPolarHBondContact CA-SD 3.47Å; L65-M475 HydrophobicContact CB-CB 4.2Å; L65-M475 HydrophobicContact CB-CG 4.35Å; L65-M475 HydrophobicContact CB-SD 3.83Å; L65-M475 HydrophobicContact CD1-CB 3.99Å; L65-M475 HydrophobicContact CD1-SD 4.05Å; L65-M475 HydrophobicContact CG-CB 4.5Å; L65-M475 PolarHBondContact N-SD 2.98Å; M68-M475 HydrophobicContact CB-SD 4.45Å; M68-M475 HydrophobicContact CE-CE 3.42Å; M68-M475 VanDerWaalsContact CE-CE 3.42Å; M68-M475 HydrophobicContact CE-SD 3.4Å; M68-M475 WeakPolarHBondContact CE-SD 3.43Å; A98-M475 WeakPolarHBondContact O-CE 3.12Å; I99-M475 HydrophobicContact CB-CE 4.28Å; Q471-M475 HydrophobicContact CB-CE 4.36Å; Q471-M475 WeakPolarHBondContact O-CG 3.29Å; Q471-M475 PolarHBondContact O-N 2.78Å; Y473-M475 VanDerWaalsContact C-N 3.34Å; Y473-M475 PolarHBondContact O-N 2.97Å; M475-L479 PolarHBondContact O-N 3.19Å
476L95.8Very high94.2Very high0 Ų030.9 Ų30.90%014%0.144CC..Hα-helixtrans-71.9-39.8-179.9-66.7-178.1000111.4L65 G472 Y473 N474 L479 I480 L490 F494 F516 R520 L523L65-L476 HydrophobicContact CD1-CD2 4.08Å; L65-L476 HydrophobicContact CD2-CD2 4.31Å; G472-L476 WeakPolarHBondContact O-CG 3.37Å; G472-L476 PolarHBondContact O-N 3.46Å; Y473-L476 PolarHBondContact O-N 3.33Å; N474-L476 PolarHBondContact O-N 2.87Å; L476-L479 WeakPolarHBondContact O-CB 3.22Å; L476-L479 PolarHBondContact O-N 2.93Å; L476-I480 WeakPolarHBondContact O-CG1 3.4Å; L476-I480 PolarHBondContact O-N 3.32Å; L476-L490 HydrophobicContact CB-CD2 3.61Å; L476-L490 HydrophobicContact CD1-CD2 4.27Å; L476-F494 HydrophobicContact CD1-CD1 3.96Å; L476-F494 HydrophobicContact CD1-CE1 4.17Å; L476-F516 HydrophobicContact CB-CE2 4.05Å; L476-F516 HydrophobicContact CB-CZ 4.41Å; L476-F516 HydrophobicContact CD2-CD2 3.8Å; L476-F516 HydrophobicContact CD2-CE2 3.66Å; L476-F516 HydrophobicContact CD2-CZ 4.43Å; L476-F516 HydrophobicContact CG-CE2 4.34Å; L476-R520 HydrophobicContact CD1-CB 3.8Å; L476-R520 HydrophobicContact CD1-CG 4.05Å; L476-L523 HydrophobicContact CD1-CD1 3.84Å; L476-L523 HydrophobicContact CG-CD1 4.34Å
477N94.6Very high94Very high25 Ų2531.6 Ų31.613%0.13415%0.146CC..Hα-helixtrans-66.7-44.5178.8-16017.9000111.4Y473 N474 L479 I480 H481Y473-N477 HydrophobicContact CE1-CB 4.46Å; Y473-N477 WeakPolarHBondContact O-CB 3.31Å; Y473-N477 PolarHBondContact O-N 3.47Å; N474-N477 PolarHBondContact O-N 3.37Å; N477-L479 PolarHBondContact O-N 2.89Å; N477-I480 WeakPolarHBondContact O-CB 3.45Å; N477-I480 PolarHBondContact O-N 2.99Å; N477-H481 PolarHBondContact O-N 2.65Å
478L94Very high93.8Very high19 Ų1931.9 Ų31.910%0.09915%0.148CC..Hα-helixtrans-57-35.3171.9-75.7177.8000112M49 K58 Y61 L62 N474 R482M49-L478 HydrophobicContact CB-CD1 4.12Å; M49-L478 HydrophobicContact CB-CD2 4.1Å; M49-L478 HydrophobicContact CB-CG 4.39Å; M49-L478 HydrophobicContact CG-CD1 4.18Å; K58-L478 HydrophobicContact CB-CD1 4.29Å; K58-L478 HydrophobicContact CB-CD2 4.44Å; K58-L478 HydrophobicContact CD-CD2 3.96Å; K58-L478 HydrophobicContact CG-CD2 4.21Å; Y61-L478 HydrophobicContact CG-CD1 4.42Å; L62-L478 HydrophobicContact CD2-CB 4.07Å; L62-L478 HydrophobicContact CG-CB 4.3Å; N474-L478 VanDerWaalsContact O-CB 3.24Å; N474-L478 WeakPolarHBondContact O-CB 3.45Å; N474-L478 WeakPolarHBondContact O-CG 3.39Å; N474-L478 PolarHBondContact O-N 3.25Å; L478-R482 WeakPolarHBondContact O-CB 3.48Å; L478-R482 PolarHBondContact O-N 3.37Å
479L94.9Very high93.6Very high0 Ų035.7 Ų35.70%017%0.166CC..Hα-helixtrans-71.9-33.5176.6-175.462000113L62 L65 M475 L476 N477 K483 F516 L627 Q631L62-L479 HydrophobicContact CD2-CB 3.86Å; L62-L479 HydrophobicContact CD2-CD1 4.32Å; L65-L479 HydrophobicContact CD2-CD2 4.2Å; M475-L479 PolarHBondContact O-N 3.19Å; L476-L479 WeakPolarHBondContact O-CB 3.22Å; L476-L479 PolarHBondContact O-N 2.93Å; N477-L479 PolarHBondContact O-N 2.89Å; L479-K483 PolarHBondContact O-N 2.9Å; L479-F516 HydrophobicContact CD2-CD2 3.88Å; L479-F516 HydrophobicContact CD2-CE2 4.36Å; L479-L627 HydrophobicContact CD2-CD2 3.93Å; L479-Q631 HydrophobicContact CD1-CG 4.19Å
480I94.8Very high93.5Very high0 Ų035.5 Ų35.50%016%0.164CC..Hα-helixtrans-65.6-51173.1-67.4169.2000109.4L476 N477 K483 N484 L485 L488 L490 L496 F512 F516L476-I480 WeakPolarHBondContact O-CG1 3.4Å; L476-I480 PolarHBondContact O-N 3.32Å; N477-I480 WeakPolarHBondContact O-CB 3.45Å; N477-I480 PolarHBondContact O-N 2.99Å; I480-K483 PolarHBondContact O-N 3.36Å; I480-K483 VanDerWaalsContact O-N 3.12Å; I480-N484 PolarHBondContact O-N 3.48Å; I480-L485 HydrophobicContact CG2-CB 3.84Å; I480-L485 PolarHBondContact O-N 2.96Å; I480-L488 HydrophobicContact CG2-CB 4.37Å; I480-L490 HydrophobicContact CD1-CB 3.86Å; I480-L496 HydrophobicContact CD1-CD1 3.66Å; I480-F512 HydrophobicContact CG1-CE2 4.22Å; I480-F512 HydrophobicContact CG1-CZ 3.92Å; I480-F516 HydrophobicContact CD1-CZ 4.08Å; I480-F516 HydrophobicContact CG1-CE2 4.3Å; I480-F516 HydrophobicContact CG1-CZ 4.1Å
481H93.4Very high93.3Very high86 Ų8633 Ų3340%0.39816%0.155SC..Hα-helixtrans-65.9-38.7179.8-69.2178000112.1N477 K483 N484N477-H481 PolarHBondContact O-N 2.65Å; H481-K483 PolarHBondContact O-N 3.18Å; H481-K483 VanDerWaalsContact O-N 3.08Å; H481-N484 PolarHBondContact O-N 3.32Å; H481-N484 PolarHBondContact O-OD1 3.02Å
482R91.7Very high93.2Very high138 Ų13836.2 Ų36.252%0.52117%0.167SC..Hα-helixtrans-60.1-22174-175.160.8176.7165.93.7113.3L62 L478 Q631L62-R482 HydrophobicContact CD1-CG 4.37Å; L478-R482 WeakPolarHBondContact O-CB 3.48Å; L478-R482 PolarHBondContact O-N 3.37Å; R482-Q631 HydrophobicContact CG-CG 4.17Å
483K92.8Very high93Very high46 Ų4636.5 Ų36.520%0.217%0.169CC..THydrogen-bonded Turntrans-960.2175.4-73.3-176.1175.5-176.20114.3L479 I480 H481 L485 K509 F512L479-K483 PolarHBondContact O-N 2.9Å; I480-K483 PolarHBondContact O-N 3.36Å; I480-K483 VanDerWaalsContact O-N 3.12Å; H481-K483 PolarHBondContact O-N 3.18Å; H481-K483 VanDerWaalsContact O-N 3.08Å; K483-L485 HydrophobicContact CB-CD1 3.93Å; K483-L485 HydrophobicContact CB-CG 3.82Å; K483-L485 HydrophobicContact CD-CD1 4.26Å; K483-K509 WeakPolarHBondContact O-CE 3.44Å; K483-K509 PolarHBondContact O-NZ 3.19Å; K483-F512 HydrophobicContact CD-CE1 3.87Å; K483-F512 HydrophobicContact CD-CZ 4.13Å
484N92.4Very high93Very high108 Ų10835.6 Ų35.658%0.57817%0.165SC*.THydrogen-bonded Turntrans5557.4-175.2-54.4-19.2000111.3I480 H481 K509I480-N484 PolarHBondContact O-N 3.48Å; H481-N484 PolarHBondContact O-N 3.32Å; H481-N484 PolarHBondContact O-OD1 3.02Å; N484-K509 PolarHBondContact O-NZ 3.27Å
485L93.2Very high92.7Very high1 Ų136.4 Ų36.41%0.00517%0.17CC..  trans-112.348178.8-58.9179.3000111I480 K483 Y487 L488 K509 F512I480-L485 HydrophobicContact CG2-CB 3.84Å; I480-L485 PolarHBondContact O-N 2.96Å; K483-L485 HydrophobicContact CB-CD1 3.93Å; K483-L485 HydrophobicContact CB-CG 3.82Å; K483-L485 HydrophobicContact CD-CD1 4.26Å; L485-Y487 HydrophobicContact CD2-CE2 4.36Å; L485-Y487 WeakPolarHBondContact CD2-OH 3.42Å; L485-Y487 PolarHBondContact O-N 3.15Å; L485-Y487 VanDerWaalsContact O-N 3.07Å; L485-L488 HydrophobicContact CB-CD1 4.32Å; L485-L488 HydrophobicContact CD1-CD1 4.23Å; L485-L488 WeakPolarHBondContact O-CB 3.37Å; L485-L488 PolarHBondContact O-N 3.03Å; L485-K509 HydrophobicContact CD2-CB 4.49Å; L485-K509 HydrophobicContact CD2-CD 4.08Å; L485-K509 HydrophobicContact CD2-CG 3.97Å; L485-F512 HydrophobicContact CD1-CD2 4.46Å; L485-F512 HydrophobicContact CD1-CE1 4.5Å; L485-F512 HydrophobicContact CD1-CE2 3.43Å; L485-F512 VanDerWaalsContact CD1-CE2 3.43Å; L485-F512 HydrophobicContact CD1-CZ 3.46Å; L485-F512 VanDerWaalsContact CD1-CZ 3.46Å
486N91.2Very high92.3Very high117 Ų11738.5 Ų38.563%0.62618%0.18SC*.THydrogen-bonded Turntrans-63.5-17.1-172.8-53-1.7000113.7L488N486-L488 PolarHBondContact O-N 3.32Å
487Y90.5Very high91.7Very high28 Ų2842.3 Ų42.311%0.1120%0.197CC..THydrogen-bonded Turntrans-83.54.4173.351.4-101000113.2L485 P498 V499 L502 E506L485-Y487 HydrophobicContact CD2-CE2 4.36Å; L485-Y487 WeakPolarHBondContact CD2-OH 3.42Å; L485-Y487 PolarHBondContact O-N 3.15Å; L485-Y487 VanDerWaalsContact O-N 3.07Å; Y487-P498 WeakPolarHBondContact O-CA 3.06Å; Y487-V499 PolarHBondContact O-N 3.23Å; Y487-L502 HydrophobicContact CD2-CD1 4.18Å; Y487-L502 HydrophobicContact CD2-CD2 3.31Å; Y487-L502 HydrophobicContact CD2-CG 4.39Å; Y487-L502 HydrophobicContact CE2-CD1 4.19Å; Y487-L502 HydrophobicContact CE2-CD2 3.96Å; Y487-L502 HydrophobicContact CG-CD2 3.87Å; Y487-E506 HydrophobicContact CD1-CG 4.29Å; Y487-E506 HydrophobicContact CE1-CB 4.15Å; Y487-E506 HydrophobicContact CE1-CG 3.84Å; Y487-E506 HydrophobicContact CE2-CB 3.97Å; Y487-E506 PolarHBondContact OH-O 2.94Å
488L90.8Very high91.1Very high14 Ų1444.3 Ų44.37%0.07321%0.211CC..EExtended strand (participates in β ladder)trans-111.4133.3167.8-66.6-176.4000109.5I480 L485 N486 L496 K497 P498 L502 F512I480-L488 HydrophobicContact CG2-CB 4.37Å; L485-L488 HydrophobicContact CB-CD1 4.32Å; L485-L488 HydrophobicContact CD1-CD1 4.23Å; L485-L488 WeakPolarHBondContact O-CB 3.37Å; L485-L488 PolarHBondContact O-N 3.03Å; N486-L488 PolarHBondContact O-N 3.32Å; L488-L496 HydrophobicContact CB-CD1 4.13Å; L488-L496 HydrophobicContact CD1-CD1 4.23Å; L488-L496 HydrophobicContact CD1-CD2 4.08Å; L488-L496 HydrophobicContact CD1-CG 4.33Å; L488-K497 WeakPolarHBondContact CA-O 3.42Å; L488-P498 HydrophobicContact CD2-CB 4.29Å; L488-L502 HydrophobicContact CD2-CD1 4.42Å; L488-F512 HydrophobicContact CD1-CD2 4.47Å; L488-F512 HydrophobicContact CD1-CE2 3.99Å
489H90.3Very high90.6Very high82 Ų8248.4 Ų48.438%0.3824%0.237SC..EExtended strand (participates in β ladder)trans-112.3131.9173.9177.269000109.1K497 V499H489-K497 PolarHBondContact N-O 3.43Å; H489-K497 PolarHBondContact O-N 2.89Å; H489-V499 HydrophobicContact CB-CG2 3.99Å
490L92.4Very high89.9Confident0 Ų053.8 Ų53.80%026%0.26CS..EExtended strand (participates in β ladder)trans-100116.9167.8-176.471000106.5Y473 L476 I480 F494 N495 L496 R520Y473-L490 HydrophobicContact CD2-CD2 4.01Å; Y473-L490 HydrophobicContact CD2-CG 4.28Å; Y473-L490 HydrophobicContact CE2-CB 4.33Å; Y473-L490 HydrophobicContact CE2-CD2 4.13Å; Y473-L490 HydrophobicContact CE2-CG 4.04Å; Y473-L490 WeakPolarHBondContact CE2-O 3.03Å; Y473-L490 PolarHBondContact OH-O 3.05Å; L476-L490 HydrophobicContact CB-CD2 3.61Å; L476-L490 HydrophobicContact CD1-CD2 4.27Å; I480-L490 HydrophobicContact CD1-CB 3.86Å; L490-F494 HydrophobicContact CD2-CD1 4.46Å; L490-N495 WeakPolarHBondContact CA-O 3.3Å; L490-L496 HydrophobicContact CD1-CD1 4.49Å; L490-R520 HydrophobicContact CD1-CG 4.3Å
491D91.1Very high88.9Confident0 Ų060.5 Ų60.50%030%0.302CS..  trans-82.9171.5175.674.115000111D144 Y473 N493 F494 N495 K497D144-D491 HydrophobicContact CB-CB 4.37Å; D144-D491 WeakPolarHBondContact CB-OD2 3.49Å; D144-D491 WeakPolarHBondContact O-CB 3.39Å; Y473-D491 WeakPolarHBondContact CE2-O 3.37Å; D491-N493 VanDerWaalsContact C-N 3.31Å; D491-N493 PolarHBondContact O-N 3.16Å; D491-N493 PolarHBondContact OD1-N 2.94Å; D491-F494 WeakPolarHBondContact O-CA 3.38Å; D491-F494 PolarHBondContact O-N 2.87Å; D491-F494 PolarHBondContact OD1-N 2.88Å; D491-F494 VanDerWaalsContact OD1-N 3.09Å; D491-N495 PolarHBondContact N-O 3.12Å; D491-N495 WeakPolarHBondContact OD1-CA 3.37Å; D491-N495 WeakPolarHBondContact OD1-CB 2.86Å; D491-N495 PolarHBondContact OD1-N 3.27Å; D491-N495 PolarHBondContact OD1-ND2 2.77Å; D491-N495 WeakPolarHBondContact OD2-CB 3.12Å; D491-N495 PolarHBondContact OD2-ND2 2.8Å; D491-K497 WeakPolarHBondContact OD2-CE 3.45Å; D491-K497 IonicContact OD2-NZ 2.61Å; D491-K497 PolarHBondContact OD2-NZ 3.25Å
492Y92.3Very high88Confident70 Ų7058.3 Ų58.328%0.27529%0.293SS..THydrogen-bonded Turntrans-72-25.9-172.1-66-71.2000112.7D144 E146 P147 Y473 F494 K527D144-Y492 PolarHBondContact O-N 3.18Å; D144-Y492 VanDerWaalsContact O-N 3.09Å; E146-Y492 VanDerWaalsContact O-CB 3.32Å; E146-Y492 WeakPolarHBondContact O-CB 3.37Å; E146-Y492 VanDerWaalsContact O-CD2 3.24Å; E146-Y492 WeakPolarHBondContact O-CD2 3.5Å; P147-Y492 HydrophobicContact CB-CD2 4.46Å; P147-Y492 HydrophobicContact CB-CE1 4.34Å; P147-Y492 HydrophobicContact CB-CE2 3.99Å; Y473-Y492 HydrophobicContact CD1-CD1 4.38Å; Y473-Y492 HydrophobicContact CD1-CE1 4.2Å; Y473-Y492 HydrophobicContact CD2-CD1 4.1Å; Y473-Y492 HydrophobicContact CE1-CD1 4.2Å; Y473-Y492 AromaticContact CE1-CE1 3.77Å; Y473-Y492 HydrophobicContact CE1-CE1 3.77Å; Y473-Y492 AromaticContact CE2-CD1 3.91Å; Y473-Y492 HydrophobicContact CE2-CD1 3.91Å; Y473-Y492 HydrophobicContact CE2-CE1 4.21Å; Y473-Y492 HydrophobicContact CG-CD1 4.34Å; Y473-Y492 AromaticContact CZ-CD1 3.97Å; Y473-Y492 AromaticContact CZ-CE1 3.78Å; Y492-F494 WeakPolarHBondContact O-CD2 3.06Å; Y492-F494 PolarHBondContact O-N 3.47Å; Y492-K527 WeakPolarHBondContact O-CD 3.38Å; Y492-K527 WeakPolarHBondContact O-CE 3.4Å
493N91.9Very high87.6Confident5 Ų555.4 Ų55.43%0.02729%0.29CS..THydrogen-bonded Turntrans-79.914.5168.7-72-26.8000113.4F142 D143 D144 D491 N495 R524 K527F142-N493 PolarHBondContact O-ND2 3.36Å; D143-N493 PolarHBondContact O-ND2 3.18Å; D144-N493 WeakPolarHBondContact CA-ND2 3.07Å; D144-N493 VanDerWaalsContact OD1-CB 3.32Å; D144-N493 WeakPolarHBondContact OD1-CB 3.44Å; D144-N493 PolarHBondContact OD1-ND2 2.97Å; D491-N493 VanDerWaalsContact C-N 3.31Å; D491-N493 PolarHBondContact O-N 3.16Å; D491-N493 PolarHBondContact OD1-N 2.94Å; N493-N495 VanDerWaalsContact C-N 3.3Å; N493-N495 PolarHBondContact O-N 2.64Å; N493-R524 PolarHBondContact O-NE 3.22Å; N493-R524 PolarHBondContact O-NH2 3.26Å; N493-K527 WeakPolarHBondContact OD1-CD 3.46Å; N493-K527 VanDerWaalsContact OD1-CE 3.31Å; N493-K527 WeakPolarHBondContact OD1-CE 3.45Å; N493-K527 PolarHBondContact OD1-NZ 3Å
494F94.2Very high86.6Confident2 Ų256.9 Ų56.91%0.00930%0.303CS..  trans63.124.5175.4-64.8-87000114.1L476 L490 D491 Y492 R520 L523 R524 K527L476-F494 HydrophobicContact CD1-CD1 3.96Å; L476-F494 HydrophobicContact CD1-CE1 4.17Å; L490-F494 HydrophobicContact CD2-CD1 4.46Å; D491-F494 WeakPolarHBondContact O-CA 3.38Å; D491-F494 PolarHBondContact O-N 2.87Å; D491-F494 PolarHBondContact OD1-N 2.88Å; D491-F494 VanDerWaalsContact OD1-N 3.09Å; Y492-F494 WeakPolarHBondContact O-CD2 3.06Å; Y492-F494 PolarHBondContact O-N 3.47Å; F494-R520 HydrophobicContact CB-CG 3.79Å; F494-R520 HydrophobicContact CD1-CG 4.37Å; F494-R520 WeakPolarHBondContact O-CD 3.42Å; F494-R520 WeakPolarHBondContact O-CG 3.43Å; F494-R520 PolarHBondContact O-NH1 3.16Å; F494-L523 HydrophobicContact CD1-CB 4.01Å; F494-L523 HydrophobicContact CD1-CD1 4.38Å; F494-L523 HydrophobicContact CD2-CB 4.22Å; F494-L523 HydrophobicContact CE1-CB 3.74Å; F494-L523 HydrophobicContact CE1-CD1 3.76Å; F494-L523 HydrophobicContact CE1-CG 4.32Å; F494-L523 HydrophobicContact CE2-CB 3.97Å; F494-L523 HydrophobicContact CG-CB 4.25Å; F494-L523 HydrophobicContact CZ-CB 3.72Å; F494-L523 HydrophobicContact CZ-CD1 4.25Å; F494-L523 HydrophobicContact CZ-CG 4.41Å; F494-R524 HydrophobicContact CB-CB 4.29Å; F494-R524 PolarHBondContact O-NH2 2.9Å; F494-K527 HydrophobicContact CD2-CB 4.34Å; F494-K527 HydrophobicContact CD2-CD 4.15Å; F494-K527 HydrophobicContact CE2-CB 4.09Å; F494-K527 HydrophobicContact CE2-CD 4.07Å; F494-K527 HydrophobicContact CE2-CG 4.42Å
495N88.6Confident86.1Confident24 Ų2460.5 Ų60.513%0.12831%0.314CS..  trans-77.1138.4166.4-49.6-78.2000110.4D144 L490 D491 N493 K497 R524D144-N495 PolarHBondContact OD1-ND2 3.16Å; D144-N495 VanDerWaalsContact OD1-ND2 3.14Å; D144-N495 PolarHBondContact OD2-ND2 3.39Å; L490-N495 WeakPolarHBondContact CA-O 3.3Å; D491-N495 PolarHBondContact N-O 3.12Å; D491-N495 WeakPolarHBondContact OD1-CA 3.37Å; D491-N495 WeakPolarHBondContact OD1-CB 2.86Å; D491-N495 PolarHBondContact OD1-N 3.27Å; D491-N495 PolarHBondContact OD1-ND2 2.77Å; D491-N495 WeakPolarHBondContact OD2-CB 3.12Å; D491-N495 PolarHBondContact OD2-ND2 2.8Å; N493-N495 VanDerWaalsContact C-N 3.3Å; N493-N495 PolarHBondContact O-N 2.64Å; N495-K497 HydrophobicContact CB-CG 4.39Å; N495-R524 VanDerWaalsContact OD1-CZ 3.3Å; N495-R524 PolarHBondContact OD1-NH1 3.07Å; N495-R524 PolarHBondContact OD1-NH2 3.39Å
496L88.3Confident85.8Confident43 Ų4362.2 Ų62.223%0.22532%0.322CS..EExtended strand (participates in β ladder)trans-102.4107.5174.8-172.972.4000109.2I480 L488 L490 F512 F516I480-L496 HydrophobicContact CD1-CD1 3.66Å; L488-L496 HydrophobicContact CB-CD1 4.13Å; L488-L496 HydrophobicContact CD1-CD1 4.23Å; L488-L496 HydrophobicContact CD1-CD2 4.08Å; L488-L496 HydrophobicContact CD1-CG 4.33Å; L490-L496 HydrophobicContact CD1-CD1 4.49Å; L496-F512 HydrophobicContact CD2-CD2 4.13Å; L496-F512 HydrophobicContact CD2-CE2 4.49Å; L496-F516 HydrophobicContact CD2-CE1 4.11Å
497K82.6Confident85.2Confident81 Ų8162.9 Ų62.935%0.35232%0.315SS..EExtended strand (participates in β ladder)trans-112.6141.9-175.1-65.3170.4176.8155.20110.6D144 L488 H489 D491 N495D144-K497 IonicContact OD2-NZ 2.67Å; D144-K497 PolarHBondContact OD2-NZ 3.05Å; L488-K497 WeakPolarHBondContact CA-O 3.42Å; H489-K497 PolarHBondContact N-O 3.43Å; H489-K497 PolarHBondContact O-N 2.89Å; D491-K497 WeakPolarHBondContact OD2-CE 3.45Å; D491-K497 IonicContact OD2-NZ 2.61Å; D491-K497 PolarHBondContact OD2-NZ 3.25Å; N495-K497 HydrophobicContact CB-CG 4.39Å
498P82.6Confident85Confident67 Ų6768.5 Ų68.544%0.43534%0.34SS..EExtended strand (participates in β ladder)trans-80.4133.7168.932.6-31.3000110.5Y487 L488 K500 L502Y487-P498 WeakPolarHBondContact O-CA 3.06Å; L488-P498 HydrophobicContact CD2-CB 4.29Å; P498-K500 VanDerWaalsContact C-N 3.32Å; P498-L502 HydrophobicContact CB-CD1 4.27Å; P498-L502 HydrophobicContact CB-CD2 4.28Å; P498-L502 HydrophobicContact CB-CG 4.12Å
499V82.2Confident84.8Confident104 Ų10473.6 Ų73.663%0.6336%0.362SS*.SBendtrans-72.4-28.9178.7-177.90000111.6Y487 H489Y487-V499 PolarHBondContact O-N 3.23Å; H489-V499 HydrophobicContact CB-CG2 3.99Å
500K80.5Confident84.8Confident114 Ų11470.4 Ų70.450%0.49635%0.349SS..SBendtrans-139.9166.7-179.666.5178.6-1761750111.2P498 L502 E506P498-K500 VanDerWaalsContact C-N 3.32Å; K500-L502 HydrophobicContact CG-CD2 4.36Å; K500-L502 WeakPolarHBondContact O-CD2 3.38Å; K500-L502 PolarHBondContact O-N 2.98Å; K500-L502 VanDerWaalsContact O-N 3.14Å; K500-E506 VanDerWaalsContact CE-OE1 3.28Å; K500-E506 WeakPolarHBondContact CE-OE1 3.47Å; K500-E506 IonicContact NZ-OE1 2.74Å; K500-E506 PolarHBondContact NZ-OE1 3.28Å
501T73.2Confident84.6Confident141 Ų14179.2 Ų79.287%0.86538%0.382SS*.PPolyproline II helixtrans-63.5116.3170-63.50000110
502L75.2Confident84.6Confident40 Ų4080 Ų8021%0.20939%0.385CS..PPolyproline II helixtrans-78.4135.8-173.8-55.1-174.7000112.2Y487 L488 P498 K500 E506 R507Y487-L502 HydrophobicContact CD2-CD1 4.18Å; Y487-L502 HydrophobicContact CD2-CD2 3.31Å; Y487-L502 HydrophobicContact CD2-CG 4.39Å; Y487-L502 HydrophobicContact CE2-CD1 4.19Å; Y487-L502 HydrophobicContact CE2-CD2 3.96Å; Y487-L502 HydrophobicContact CG-CD2 3.87Å; L488-L502 HydrophobicContact CD2-CD1 4.42Å; P498-L502 HydrophobicContact CB-CD1 4.27Å; P498-L502 HydrophobicContact CB-CD2 4.28Å; P498-L502 HydrophobicContact CB-CG 4.12Å; K500-L502 HydrophobicContact CG-CD2 4.36Å; K500-L502 WeakPolarHBondContact O-CD2 3.38Å; K500-L502 PolarHBondContact O-N 2.98Å; K500-L502 VanDerWaalsContact O-N 3.14Å; L502-E506 HydrophobicContact CB-CB 4.2Å; L502-E506 HydrophobicContact CD2-CB 4.48Å; L502-R507 HydrophobicContact CB-CB 4.24Å
503T82.5Confident84.5Confident76 Ų7678.8 Ų78.847%0.46639%0.394SS..PPolyproline II helixtrans-63.1161.4166.864.40000111K505 E506 R507T503-K505 PolarHBondContact O-N 3.37Å; T503-E506 WeakPolarHBondContact CB-OE2 3.49Å; T503-E506 WeakPolarHBondContact CG2-OE2 3.44Å; T503-E506 PolarHBondContact N-OE2 3.26Å; T503-E506 PolarHBondContact O-N 3.29Å; T503-E506 WeakPolarHBondContact OG1-CB 3.4Å; T503-E506 VanDerWaalsContact OG1-CG 3.26Å; T503-E506 WeakPolarHBondContact OG1-CG 3.48Å; T503-E506 PolarHBondContact OG1-N 3.24Å; T503-E506 PolarHBondContact OG1-OE2 2.96Å; T503-R507 WeakPolarHBondContact O-CB 3.41Å; T503-R507 PolarHBondContact O-N 3.28Å
504T71.8Confident84.5Confident78 Ų7882.3 Ų82.348%0.47941%0.413SS..Hα-helixtrans-59.3-31.5176.1-63.80000112.6R507 K508T504-R507 PolarHBondContact OG1-NH2 3.25Å; T504-K508 WeakPolarHBondContact O-CG 3.4Å; T504-K508 PolarHBondContact O-N 2.87Å
505K82.8Confident84.5Confident184 Ų18482.9 Ų82.980%0.842%0.419SS*.Hα-helixtrans-68.2-51.5176-173.2177.5179.9-179.70111.1T503 R507 K508 K509T503-K505 PolarHBondContact O-N 3.37Å; K505-R507 PolarHBondContact O-N 3.38Å; K505-K508 PolarHBondContact O-N 3.26Å; K505-K509 PolarHBondContact O-N 3.04Å; K505-K509 VanDerWaalsContact O-N 3.14Å
506E87.4Confident84.8Confident36 Ų3681.8 Ų81.817%0.16841%0.413CS..Hα-helixtrans-60.1-47.4178.2-71.7164.9147.200111.4Y487 K500 L502 T503 K508 K509 S510Y487-E506 HydrophobicContact CD1-CG 4.29Å; Y487-E506 HydrophobicContact CE1-CB 4.15Å; Y487-E506 HydrophobicContact CE1-CG 3.84Å; Y487-E506 HydrophobicContact CE2-CB 3.97Å; Y487-E506 PolarHBondContact OH-O 2.94Å; K500-E506 VanDerWaalsContact CE-OE1 3.28Å; K500-E506 WeakPolarHBondContact CE-OE1 3.47Å; K500-E506 IonicContact NZ-OE1 2.74Å; K500-E506 PolarHBondContact NZ-OE1 3.28Å; L502-E506 HydrophobicContact CB-CB 4.2Å; L502-E506 HydrophobicContact CD2-CB 4.48Å; T503-E506 WeakPolarHBondContact CB-OE2 3.49Å; T503-E506 WeakPolarHBondContact CG2-OE2 3.44Å; T503-E506 PolarHBondContact N-OE2 3.26Å; T503-E506 PolarHBondContact O-N 3.29Å; T503-E506 WeakPolarHBondContact OG1-CB 3.4Å; T503-E506 VanDerWaalsContact OG1-CG 3.26Å; T503-E506 WeakPolarHBondContact OG1-CG 3.48Å; T503-E506 PolarHBondContact OG1-N 3.24Å; T503-E506 PolarHBondContact OG1-OE2 2.96Å; E506-K508 VanDerWaalsContact C-N 3.28Å; E506-K508 PolarHBondContact O-N 3.12Å; E506-K509 WeakPolarHBondContact O-CB 3.45Å; E506-K509 PolarHBondContact O-N 3.18Å; E506-S510 WeakPolarHBondContact O-CB 3.49Å; E506-S510 PolarHBondContact O-N 3.26Å; E506-S510 PolarHBondContact O-OG 3.29Å; E506-S510 VanDerWaalsContact O-OG 3.11Å
507R78.4Confident85.1Confident132 Ų13281.1 Ų81.150%0.49841%0.408SS..Hα-helixtrans-59.2-33177.6180177.353.9175.4-7.3114L502 T503 T504 K505L502-R507 HydrophobicContact CB-CB 4.24Å; T503-R507 WeakPolarHBondContact O-CB 3.41Å; T503-R507 PolarHBondContact O-N 3.28Å; T504-R507 PolarHBondContact OG1-NH2 3.25Å; K505-R507 PolarHBondContact O-N 3.38Å
508K85.1Confident85.6Confident145 Ų14577.3 Ų77.363%0.6339%0.392SS*.Hα-helixtrans-71.8-41.4174.3-78.3177.9-179.9179.80110.8T504 K505 E506T504-K508 WeakPolarHBondContact O-CG 3.4Å; T504-K508 PolarHBondContact O-N 2.87Å; K505-K508 PolarHBondContact O-N 3.26Å; E506-K508 VanDerWaalsContact C-N 3.28Å; E506-K508 PolarHBondContact O-N 3.12Å
509K88.1Confident86.3Confident121 Ų12174.2 Ų74.253%0.52637%0.371SS..Hα-helixtrans-67.4-38.5-180-167.8-174.2176.3-166.20112.3K483 N484 L485 K505 E506 R511K483-K509 WeakPolarHBondContact O-CE 3.44Å; K483-K509 PolarHBondContact O-NZ 3.19Å; N484-K509 PolarHBondContact O-NZ 3.27Å; L485-K509 HydrophobicContact CD2-CB 4.49Å; L485-K509 HydrophobicContact CD2-CD 4.08Å; L485-K509 HydrophobicContact CD2-CG 3.97Å; K505-K509 PolarHBondContact O-N 3.04Å; K505-K509 VanDerWaalsContact O-N 3.14Å; E506-K509 WeakPolarHBondContact O-CB 3.45Å; E506-K509 PolarHBondContact O-N 3.18Å; K509-R511 VanDerWaalsContact C-N 3.33Å; K509-R511 PolarHBondContact O-N 3.03Å
510S89.4Confident86.9Confident15 Ų1569.7 Ų69.711%0.10534%0.343CS..THydrogen-bonded Turntrans-84.72.2-173.968.70000115.7E506 F512E506-S510 WeakPolarHBondContact O-CB 3.49Å; E506-S510 PolarHBondContact O-N 3.26Å; E506-S510 PolarHBondContact O-OG 3.29Å; E506-S510 VanDerWaalsContact O-OG 3.11Å; S510-F512 WeakPolarHBondContact O-CD2 3.44Å; S510-F512 PolarHBondContact O-N 3.44Å
511R87.7Confident87.6Confident186 Ų18664.3 Ų64.370%0.70232%0.32SS*.  trans-75.893.2-179.4-171-176.9-62165.4-0.8111.5K509K509-R511 VanDerWaalsContact C-N 3.33Å; K509-R511 PolarHBondContact O-N 3.03Å
512F90.9Very high88.6Confident15 Ų1557.8 Ų57.87%0.06628%0.28CS..  trans-68.9157.5172.1-74.1-84.4000112.7I480 K483 L485 L488 L496 S510 F516I480-F512 HydrophobicContact CG1-CE2 4.22Å; I480-F512 HydrophobicContact CG1-CZ 3.92Å; K483-F512 HydrophobicContact CD-CE1 3.87Å; K483-F512 HydrophobicContact CD-CZ 4.13Å; L485-F512 HydrophobicContact CD1-CD2 4.46Å; L485-F512 HydrophobicContact CD1-CE1 4.5Å; L485-F512 HydrophobicContact CD1-CE2 3.43Å; L485-F512 VanDerWaalsContact CD1-CE2 3.43Å; L485-F512 HydrophobicContact CD1-CZ 3.46Å; L485-F512 VanDerWaalsContact CD1-CZ 3.46Å; L488-F512 HydrophobicContact CD1-CD2 4.47Å; L488-F512 HydrophobicContact CD1-CE2 3.99Å; L496-F512 HydrophobicContact CD2-CD2 4.13Å; L496-F512 HydrophobicContact CD2-CE2 4.49Å; S510-F512 WeakPolarHBondContact O-CD2 3.44Å; S510-F512 PolarHBondContact O-N 3.44Å; F512-F516 HydrophobicContact CB-CB 4.03Å; F512-F516 HydrophobicContact CB-CD1 3.71Å; F512-F516 HydrophobicContact CB-CE1 4.5Å; F512-F516 HydrophobicContact CB-CG 4.01Å; F512-F516 HydrophobicContact CD1-CB 3.85Å; F512-F516 AromaticContact CD1-CD1 3.91Å; F512-F516 HydrophobicContact CD1-CD1 3.91Å; F512-F516 AromaticContact CD1-CD2 3.82Å; F512-F516 HydrophobicContact CD1-CD2 3.82Å; F512-F516 HydrophobicContact CD1-CE1 4.46Å; F512-F516 HydrophobicContact CD1-CE2 4.34Å; F512-F516 AromaticContact CD1-CG 3.57Å; F512-F516 HydrophobicContact CD1-CG 3.57Å; F512-F516 HydrophobicContact CD2-CD1 4.14Å; F512-F516 HydrophobicContact CD2-CE1 4.15Å; F512-F516 AromaticContact CE1-CD2 3.89Å; F512-F516 HydrophobicContact CE1-CD2 3.89Å; F512-F516 HydrophobicContact CE1-CE2 4.09Å; F512-F516 HydrophobicContact CE1-CG 4.13Å; F512-F516 HydrophobicContact CE2-CE1 4.46Å; F512-F516 HydrophobicContact CE2-CZ 4.46Å; F512-F516 HydrophobicContact CG-CB 4.23Å; F512-F516 AromaticContact CG-CD1 3.68Å; F512-F516 HydrophobicContact CG-CD1 3.68Å; F512-F516 HydrophobicContact CG-CD2 4.41Å; F512-F516 HydrophobicContact CG-CE1 4.14Å; F512-F516 AromaticContact CG-CG 3.84Å; F512-F516 HydrophobicContact CG-CG 3.84Å; F512-F516 HydrophobicContact CZ-CE2 4.3Å; F512-F516 HydrophobicContact CZ-CZ 4.43Å
513G90.5Very high89.7Confident45 Ų4556 Ų5646%0.46427%0.27SS..  trans-96.4-179.217700000113.1A515 F516 H517G513-A515 VanDerWaalsContact C-N 3.26Å; G513-A515 PolarHBondContact O-N 3.18Å; G513-F516 PolarHBondContact O-N 2.84Å; G513-H517 PolarHBondContact O-CD2 3.44Å; G513-H517 PolarHBondContact O-N 3.04Å
514N93Very high90.3Very high80 Ų8052.9 Ų52.943%0.42825%0.25SC..Hα-helixtrans-60.3-30.5-177.5-65.7-20.3000113.9L518 W623N514-L518 WeakPolarHBondContact O-CB 3.12Å; N514-L518 PolarHBondContact O-N 3.41Å; N514-W623 HydrophobicContact CB-CZ3 4.01Å
515A93.7Very high91.4Very high14 Ų1449.4 Ų49.412%0.11623%0.228CC..Hα-helixtrans-58.3-52.1179.200000111.9G513 C519 W623 L624 L627G513-A515 VanDerWaalsContact C-N 3.26Å; G513-A515 PolarHBondContact O-N 3.18Å; A515-C519 WeakPolarHBondContact O-CB 3.31Å; A515-C519 PolarHBondContact O-N 3.02Å; A515-W623 HydrophobicContact CB-CB 3.88Å; A515-L624 HydrophobicContact CB-CD2 4.11Å; A515-L627 HydrophobicContact CB-CD2 4.3Å
516F95.5Very high92Very high1 Ų140.6 Ų40.60%0.00419%0.19CC..Hα-helixtrans-63-52.6177.7177.8-93000111L476 L479 I480 L496 F512 G513 L518 C519 R520L476-F516 HydrophobicContact CB-CE2 4.05Å; L476-F516 HydrophobicContact CB-CZ 4.41Å; L476-F516 HydrophobicContact CD2-CD2 3.8Å; L476-F516 HydrophobicContact CD2-CE2 3.66Å; L476-F516 HydrophobicContact CD2-CZ 4.43Å; L476-F516 HydrophobicContact CG-CE2 4.34Å; L479-F516 HydrophobicContact CD2-CD2 3.88Å; L479-F516 HydrophobicContact CD2-CE2 4.36Å; I480-F516 HydrophobicContact CD1-CZ 4.08Å; I480-F516 HydrophobicContact CG1-CE2 4.3Å; I480-F516 HydrophobicContact CG1-CZ 4.1Å; L496-F516 HydrophobicContact CD2-CE1 4.11Å; F512-F516 HydrophobicContact CB-CB 4.03Å; F512-F516 HydrophobicContact CB-CD1 3.71Å; F512-F516 HydrophobicContact CB-CE1 4.5Å; F512-F516 HydrophobicContact CB-CG 4.01Å; F512-F516 HydrophobicContact CD1-CB 3.85Å; F512-F516 AromaticContact CD1-CD1 3.91Å; F512-F516 HydrophobicContact CD1-CD1 3.91Å; F512-F516 AromaticContact CD1-CD2 3.82Å; F512-F516 HydrophobicContact CD1-CD2 3.82Å; F512-F516 HydrophobicContact CD1-CE1 4.46Å; F512-F516 HydrophobicContact CD1-CE2 4.34Å; F512-F516 AromaticContact CD1-CG 3.57Å; F512-F516 HydrophobicContact CD1-CG 3.57Å; F512-F516 HydrophobicContact CD2-CD1 4.14Å; F512-F516 HydrophobicContact CD2-CE1 4.15Å; F512-F516 AromaticContact CE1-CD2 3.89Å; F512-F516 HydrophobicContact CE1-CD2 3.89Å; F512-F516 HydrophobicContact CE1-CE2 4.09Å; F512-F516 HydrophobicContact CE1-CG 4.13Å; F512-F516 HydrophobicContact CE2-CE1 4.46Å; F512-F516 HydrophobicContact CE2-CZ 4.46Å; F512-F516 HydrophobicContact CG-CB 4.23Å; F512-F516 AromaticContact CG-CD1 3.68Å; F512-F516 HydrophobicContact CG-CD1 3.68Å; F512-F516 HydrophobicContact CG-CD2 4.41Å; F512-F516 HydrophobicContact CG-CE1 4.14Å; F512-F516 AromaticContact CG-CG 3.84Å; F512-F516 HydrophobicContact CG-CG 3.84Å; F512-F516 HydrophobicContact CZ-CE2 4.3Å; F512-F516 HydrophobicContact CZ-CZ 4.43Å; G513-F516 PolarHBondContact O-N 2.84Å; F516-L518 PolarHBondContact O-N 3.27Å; F516-C519 PolarHBondContact O-N 3.16Å; F516-R520 WeakPolarHBondContact O-CB 3.45Å; F516-R520 PolarHBondContact O-N 2.82Å
517H93.9Very high92.4Very high29 Ų2939.1 Ų39.113%0.13418%0.183CC..Hα-helixtrans-70.7-35.2-173.5-70-62.1000113.8G513 R520 E521 Y566G513-H517 PolarHBondContact O-CD2 3.44Å; G513-H517 PolarHBondContact O-N 3.04Å; H517-R520 PolarHBondContact O-N 3.27Å; H517-E521 WeakPolarHBondContact O-CG 3.34Å; H517-E521 PolarHBondContact O-N 3.14Å; H517-Y566 HydrophobicContact CB-CD1 3.34Å; H517-Y566 HydrophobicContact CB-CD2 3.7Å; H517-Y566 HydrophobicContact CB-CE1 3.26Å; H517-Y566 HydrophobicContact CB-CE2 3.65Å; H517-Y566 HydrophobicContact CB-CG 3.55Å; H517-Y566 VanDerWaalsContact CB-CZ 3.42Å; H517-Y566 AromaticContact CD2-CE1 3.54Å; H517-Y566 AromaticContact CG-CD1 3.91Å; H517-Y566 AromaticContact CG-CE1 3.39Å; H517-Y566 AromaticContact CG-CZ 3.63Å; H517-Y566 AromaticContact ND1-CZ 3.97Å
518L93.8Very high93.2Very high0 Ų033.2 Ų33.20%016%0.161CC..Hα-helixtrans-70.3-39.5177.6-173.363.5000111.1N514 F516 E521 I522 M563 K567 I616 L620 W623N514-L518 WeakPolarHBondContact O-CB 3.12Å; N514-L518 PolarHBondContact O-N 3.41Å; F516-L518 PolarHBondContact O-N 3.27Å; L518-E521 PolarHBondContact O-N 2.85Å; L518-I522 HydrophobicContact CG-CD1 4.34Å; L518-I522 WeakPolarHBondContact O-CG1 3.48Å; L518-I522 PolarHBondContact O-N 2.9Å; L518-M563 HydrophobicContact CD1-CB 4.24Å; L518-K567 HydrophobicContact CD1-CB 4.25Å; L518-K567 HydrophobicContact CD2-CB 4.13Å; L518-K567 HydrophobicContact CD2-CD 4.17Å; L518-I616 HydrophobicContact CD2-CD1 3.97Å; L518-I616 HydrophobicContact CD2-CG1 4.17Å; L518-L620 HydrophobicContact CB-CD2 4.3Å; L518-L620 HydrophobicContact CD2-CD1 4.36Å; L518-L620 HydrophobicContact CD2-CD2 4.03Å; L518-L620 HydrophobicContact CD2-CG 4.35Å; L518-L620 HydrophobicContact CG-CD1 4.38Å; L518-L620 HydrophobicContact CG-CD2 4.36Å; L518-W623 HydrophobicContact CD2-CZ3 4.34Å
519C96Very high93.8Very high2 Ų226.3 Ų26.31%0.01413%0.131CC..Hα-helixtrans-61.3-45.8172.5-1680000111.3A515 F516 E521 I522 L523 L624A515-C519 WeakPolarHBondContact O-CB 3.31Å; A515-C519 PolarHBondContact O-N 3.02Å; F516-C519 PolarHBondContact O-N 3.16Å; C519-E521 VanDerWaalsContact C-N 3.35Å; C519-E521 PolarHBondContact O-N 3.31Å; C519-I522 PolarHBondContact O-N 3.28Å; C519-L523 WeakPolarHBondContact O-CG 3.11Å; C519-L523 PolarHBondContact O-N 3.4Å; C519-L624 HydrophobicContact CB-CD1 4.21Å; C519-L624 HydrophobicContact CB-CD2 4.37Å
520R95.9Very high94.2Very high10 Ų1020.5 Ų20.54%0.03811%0.106CC..Hα-helixtrans-57.1-43.4175.4-176.7-171.863.580.56.9112.8L476 L490 F494 F516 H517 L523 R524 Y566L476-R520 HydrophobicContact CD1-CB 3.8Å; L476-R520 HydrophobicContact CD1-CG 4.05Å; L490-R520 HydrophobicContact CD1-CG 4.3Å; F494-R520 HydrophobicContact CB-CG 3.79Å; F494-R520 HydrophobicContact CD1-CG 4.37Å; F494-R520 WeakPolarHBondContact O-CD 3.42Å; F494-R520 WeakPolarHBondContact O-CG 3.43Å; F494-R520 PolarHBondContact O-NH1 3.16Å; F516-R520 WeakPolarHBondContact O-CB 3.45Å; F516-R520 PolarHBondContact O-N 2.82Å; H517-R520 PolarHBondContact O-N 3.27Å; R520-L523 PolarHBondContact O-N 3.37Å; R520-R524 VanDerWaalsContact NH1-NH2 3.19Å; R520-R524 PolarHBondContact O-N 2.91Å; R520-Y566 PolarHBondContact NH2-OH 3.27Å
521E93.9Very high94.4Very high1 Ų119.9 Ų19.91%0.00510%0.102CC..Hα-helixtrans-73.8-28.6178.9-64.1-74.5175.600113H517 L518 C519 R524 L525 G562 M563 Y566H517-E521 WeakPolarHBondContact O-CG 3.34Å; H517-E521 PolarHBondContact O-N 3.14Å; L518-E521 PolarHBondContact O-N 2.85Å; C519-E521 VanDerWaalsContact C-N 3.35Å; C519-E521 PolarHBondContact O-N 3.31Å; E521-R524 PolarHBondContact O-N 3.47Å; E521-R524 IonicContact OE1-NH1 2.78Å; E521-R524 IonicContact OE2-CZ 3.28Å; E521-R524 IonicContact OE2-NH1 3.77Å; E521-L525 PolarHBondContact O-N 3.12Å; E521-G562 VanDerWaalsContact CD-N 3.3Å; E521-G562 PolarHBondContact OE2-N 2.88Å; E521-M563 HydrophobicContact CB-CB 4.32Å; E521-M563 HydrophobicContact CB-CG 3.52Å; E521-Y566 HydrophobicContact CG-CD2 3.84Å; E521-Y566 HydrophobicContact CG-CE2 3.66Å
522I96.1Very high94.8Very high4 Ų411 Ų112%0.0217%0.068CC..Hα-helixtrans-66.8-43.7170.2-73.3166.1000110.2V72 L518 C519 R524 L525 T526 M563 M613 I616 L620V72-I522 HydrophobicContact CB-CG2 4.28Å; V72-I522 HydrophobicContact CG1-CG2 3.78Å; V72-I522 HydrophobicContact CG2-CG2 4.23Å; L518-I522 HydrophobicContact CG-CD1 4.34Å; L518-I522 WeakPolarHBondContact O-CG1 3.48Å; L518-I522 PolarHBondContact O-N 2.9Å; C519-I522 PolarHBondContact O-N 3.28Å; I522-R524 VanDerWaalsContact C-N 3.32Å; I522-R524 PolarHBondContact O-N 2.89Å; I522-L525 PolarHBondContact O-N 3.33Å; I522-T526 PolarHBondContact O-N 2.88Å; I522-T526 PolarHBondContact O-OG1 3.22Å; I522-M563 HydrophobicContact CD1-CE 4.43Å; I522-M563 HydrophobicContact CG1-CE 3.5Å; I522-M613 HydrophobicContact CD1-SD 4.23Å; I522-M613 HydrophobicContact CG1-SD 4.36Å; I522-M613 HydrophobicContact CG2-CE 3.91Å; I522-M613 HydrophobicContact CG2-SD 4.05Å; I522-I616 HydrophobicContact CD1-CG2 4.23Å; I522-L620 HydrophobicContact CD1-CD1 3.28Å
523L96.7Very high95Very high1 Ų110.7 Ų10.71%0.0057%0.067CC..Hα-helixtrans-62.9-39.5175.2-73.8169.6000111.4M68 V72 L476 F494 C519 R520 T526 K527M68-L523 HydrophobicContact CG-CD1 4.38Å; M68-L523 HydrophobicContact CG-CD2 3.87Å; M68-L523 HydrophobicContact CG-CG 4.41Å; M68-L523 HydrophobicContact SD-CD2 3.88Å; V72-L523 HydrophobicContact CG2-CD2 4.16Å; L476-L523 HydrophobicContact CD1-CD1 3.84Å; L476-L523 HydrophobicContact CG-CD1 4.34Å; F494-L523 HydrophobicContact CD1-CB 4.01Å; F494-L523 HydrophobicContact CD1-CD1 4.38Å; F494-L523 HydrophobicContact CD2-CB 4.22Å; F494-L523 HydrophobicContact CE1-CB 3.74Å; F494-L523 HydrophobicContact CE1-CD1 3.76Å; F494-L523 HydrophobicContact CE1-CG 4.32Å; F494-L523 HydrophobicContact CE2-CB 3.97Å; F494-L523 HydrophobicContact CG-CB 4.25Å; F494-L523 HydrophobicContact CZ-CB 3.72Å; F494-L523 HydrophobicContact CZ-CD1 4.25Å; F494-L523 HydrophobicContact CZ-CG 4.41Å; C519-L523 WeakPolarHBondContact O-CG 3.11Å; C519-L523 PolarHBondContact O-N 3.4Å; R520-L523 PolarHBondContact O-N 3.37Å; L523-T526 WeakPolarHBondContact O-CB 3.33Å; L523-T526 PolarHBondContact O-N 3.23Å; L523-K527 WeakPolarHBondContact O-CB 3.46Å; L523-K527 PolarHBondContact O-N 3.11Å
524R95.2Very high95.1Very high11 Ų118.7 Ų8.74%0.0425%0.045CC..Hα-helixtrans-57.2-49.2170.3178.3177.3-65175.6-0.4112.8N493 F494 N495 R520 E521 I522 T526 K527 L528 T561N493-R524 PolarHBondContact O-NE 3.22Å; N493-R524 PolarHBondContact O-NH2 3.26Å; F494-R524 HydrophobicContact CB-CB 4.29Å; F494-R524 PolarHBondContact O-NH2 2.9Å; N495-R524 VanDerWaalsContact OD1-CZ 3.3Å; N495-R524 PolarHBondContact OD1-NH1 3.07Å; N495-R524 PolarHBondContact OD1-NH2 3.39Å; R520-R524 VanDerWaalsContact NH1-NH2 3.19Å; R520-R524 PolarHBondContact O-N 2.91Å; E521-R524 PolarHBondContact O-N 3.47Å; E521-R524 IonicContact OE1-NH1 2.78Å; E521-R524 IonicContact OE2-CZ 3.28Å; E521-R524 IonicContact OE2-NH1 3.77Å; I522-R524 VanDerWaalsContact C-N 3.32Å; I522-R524 PolarHBondContact O-N 2.89Å; R524-T526 PolarHBondContact O-N 3.14Å; R524-K527 PolarHBondContact O-N 3.1Å; R524-L528 HydrophobicContact CG-CD1 4.23Å; R524-L528 HydrophobicContact CG-CG 4.45Å; R524-L528 WeakPolarHBondContact O-CG 3.1Å; R524-L528 PolarHBondContact O-N 3.43Å; R524-T561 HydrophobicContact CG-CG2 4.36Å
525L95.3Very high95.1Very high5 Ų56.1 Ų6.13%0.0263%0.031CC..Hα-helixtrans-57.9-41.9177.8177.360.5000111E521 I522 I529 I553 V557 T561 M563 W609E521-L525 PolarHBondContact O-N 3.12Å; I522-L525 PolarHBondContact O-N 3.33Å; L525-I529 HydrophobicContact CD1-CD1 4.26Å; L525-I529 HydrophobicContact CG-CD1 4.23Å; L525-I529 WeakPolarHBondContact O-CD1 3.2Å; L525-I529 WeakPolarHBondContact O-CG1 3.39Å; L525-I529 PolarHBondContact O-N 2.92Å; L525-I553 HydrophobicContact CD1-CG2 3.64Å; L525-V557 HydrophobicContact CD1-CG1 4.23Å; L525-V557 HydrophobicContact CD1-CG2 3.72Å; L525-V557 HydrophobicContact CD2-CG1 4.19Å; L525-V557 HydrophobicContact CD2-CG2 4.37Å; L525-T561 HydrophobicContact CB-CG2 4.19Å; L525-M563 HydrophobicContact CD2-SD 4.34Å; L525-W609 HydrophobicContact CD2-CE3 4.42Å
526T96.3Very high95.1Very high0 Ų05.7 Ų5.70%03%0.026CC..Hα-helixtrans-64.7-46.1178.6-48.20000110.8V72 L75 L76 I522 L523 R524 L528 I529 V530V72-T526 HydrophobicContact CG1-CG2 4.28Å; V72-T526 WeakPolarHBondContact CG1-OG1 3.26Å; V72-T526 HydrophobicContact CG2-CG2 4.47Å; L75-T526 HydrophobicContact CD2-CG2 3.6Å; L76-T526 HydrophobicContact CD2-CG2 4.34Å; I522-T526 PolarHBondContact O-N 2.88Å; I522-T526 PolarHBondContact O-OG1 3.22Å; L523-T526 WeakPolarHBondContact O-CB 3.33Å; L523-T526 PolarHBondContact O-N 3.23Å; R524-T526 PolarHBondContact O-N 3.14Å; T526-L528 PolarHBondContact O-N 3.27Å; T526-I529 PolarHBondContact O-N 2.68Å; T526-V530 HydrophobicContact CG2-CG2 4.41Å; T526-V530 WeakPolarHBondContact O-CG2 3.35Å; T526-V530 PolarHBondContact O-N 3.48Å
527K95.9Very high95Very high5 Ų55.9 Ų5.92%0.0223%0.027CC..Hα-helixtrans-59.8-46.1177.9-163.8-164.6-176.5-59.50111.6Y492 N493 F494 L523 R524 I529 V530 D531Y492-K527 WeakPolarHBondContact O-CD 3.38Å; Y492-K527 WeakPolarHBondContact O-CE 3.4Å; N493-K527 WeakPolarHBondContact OD1-CD 3.46Å; N493-K527 VanDerWaalsContact OD1-CE 3.31Å; N493-K527 WeakPolarHBondContact OD1-CE 3.45Å; N493-K527 PolarHBondContact OD1-NZ 3Å; F494-K527 HydrophobicContact CD2-CB 4.34Å; F494-K527 HydrophobicContact CD2-CD 4.15Å; F494-K527 HydrophobicContact CE2-CB 4.09Å; F494-K527 HydrophobicContact CE2-CD 4.07Å; F494-K527 HydrophobicContact CE2-CG 4.42Å; L523-K527 WeakPolarHBondContact O-CB 3.46Å; L523-K527 PolarHBondContact O-N 3.11Å; R524-K527 PolarHBondContact O-N 3.1Å; K527-I529 PolarHBondContact O-N 2.96Å; K527-V530 PolarHBondContact O-N 3.44Å; K527-D531 IonicContact NZ-OD1 3.28Å; K527-D531 PolarHBondContact NZ-OD1 3.24Å; K527-D531 IonicContact NZ-OD2 2.67Å; K527-D531 PolarHBondContact NZ-OD2 3.37Å; K527-D531 VanDerWaalsContact O-CB 3.26Å; K527-D531 WeakPolarHBondContact O-CB 3.39Å; K527-D531 PolarHBondContact O-N 3.48Å
528L95Very high94.8Very high7 Ų76.5 Ų6.54%0.0373%0.031CC..Hα-helixtrans-56.1-39.4176.8-72.3171.2000112.6P140 R524 T526 S532 I553 L560 T561P140-L528 HydrophobicContact CB-CD2 3.98Å; P140-L528 HydrophobicContact CG-CD2 4.37Å; R524-L528 HydrophobicContact CG-CD1 4.23Å; R524-L528 HydrophobicContact CG-CG 4.45Å; R524-L528 WeakPolarHBondContact O-CG 3.1Å; R524-L528 PolarHBondContact O-N 3.43Å; T526-L528 PolarHBondContact O-N 3.27Å; L528-S532 PolarHBondContact O-N 2.85Å; L528-S532 PolarHBondContact O-OG 3.25Å; L528-S532 VanDerWaalsContact O-OG 3.12Å; L528-I553 HydrophobicContact CB-CD1 4.26Å; L528-L560 HydrophobicContact CD1-CB 3.94Å; L528-L560 HydrophobicContact CD1-CD1 4.42Å; L528-T561 HydrophobicContact CD1-CG2 4.42Å
529I96.5Very high94.6Very high0 Ų08.6 Ų8.60%05%0.052CC..Hα-helixtrans-71.6-47.5178.6-64.5165.1000110.4L76 M79 W461 L525 T526 K527 S532 H533 L550 I553 F554L76-I529 HydrophobicContact CD1-CD1 4.45Å; L76-I529 HydrophobicContact CD2-CB 4.45Å; L76-I529 HydrophobicContact CD2-CD1 3.67Å; L76-I529 HydrophobicContact CD2-CG2 4.24Å; M79-I529 HydrophobicContact SD-CG2 3.6Å; W461-I529 HydrophobicContact CH2-CG2 4.09Å; L525-I529 HydrophobicContact CD1-CD1 4.26Å; L525-I529 HydrophobicContact CG-CD1 4.23Å; L525-I529 WeakPolarHBondContact O-CD1 3.2Å; L525-I529 WeakPolarHBondContact O-CG1 3.39Å; L525-I529 PolarHBondContact O-N 2.92Å; T526-I529 PolarHBondContact O-N 2.68Å; K527-I529 PolarHBondContact O-N 2.96Å; I529-S532 WeakPolarHBondContact O-CB 3.39Å; I529-S532 PolarHBondContact O-N 3.44Å; I529-H533 PolarHBondContact O-CD2 2.81Å; I529-H533 PolarHBondContact O-N 2.9Å; I529-L550 HydrophobicContact CG2-CD2 3.85Å; I529-I553 HydrophobicContact CD1-CG2 4.49Å; I529-I553 HydrophobicContact CG1-CD1 4.3Å; I529-I553 HydrophobicContact CG1-CG2 3.95Å; I529-F554 HydrophobicContact CD1-CE1 3.56Å; I529-F554 HydrophobicContact CD1-CZ 3.66Å; I529-F554 HydrophobicContact CG1-CZ 4.33Å
530V96.3Very high94.2Very high0 Ų012.8 Ų12.80%07%0.074CC..Hα-helixtrans-62.1-45.9179.3173.30000110.6L75 W461 L466 T526 K527 S532 H533 V534L75-V530 HydrophobicContact CD2-CG2 4.28Å; W461-V530 HydrophobicContact CH2-CG2 4.05Å; W461-V530 HydrophobicContact CZ3-CG2 4.33Å; L466-V530 HydrophobicContact CD2-CG1 4.17Å; L466-V530 HydrophobicContact CG-CG1 4.19Å; T526-V530 HydrophobicContact CG2-CG2 4.41Å; T526-V530 WeakPolarHBondContact O-CG2 3.35Å; T526-V530 PolarHBondContact O-N 3.48Å; K527-V530 PolarHBondContact O-N 3.44Å; V530-S532 VanDerWaalsContact C-N 3.26Å; V530-S532 PolarHBondContact O-N 3.28Å; V530-H533 PolarHBondContact O-N 3.33Å; V530-V534 HydrophobicContact CG1-CG2 4.24Å; V530-V534 WeakPolarHBondContact O-CG2 3.42Å; V530-V534 PolarHBondContact O-N 3.38Å
531D95.1Very high93.9Very high2 Ų212.9 Ų12.91%0.0118%0.076CC..Hα-helixtrans-59.2-35.6177.9-68.4-13.6000112.1P141 F142 K527 V534 Q535P141-D531 HydrophobicContact CB-CB 3.98Å; P141-D531 HydrophobicContact CG-CB 3.68Å; F142-D531 HydrophobicContact CD2-CB 3.79Å; F142-D531 HydrophobicContact CE2-CB 4Å; K527-D531 IonicContact NZ-OD1 3.28Å; K527-D531 PolarHBondContact NZ-OD1 3.24Å; K527-D531 IonicContact NZ-OD2 2.67Å; K527-D531 PolarHBondContact NZ-OD2 3.37Å; K527-D531 VanDerWaalsContact O-CB 3.26Å; K527-D531 WeakPolarHBondContact O-CB 3.39Å; K527-D531 PolarHBondContact O-N 3.48Å; D531-V534 PolarHBondContact O-N 3.24Å; D531-Q535 WeakPolarHBondContact O-CG 3.27Å; D531-Q535 PolarHBondContact O-N 3.17Å
532S94.6Very high93.6Very high0 Ų014.6 Ų14.60%09%0.085CC..Hα-helixtrans-62-45173.1-68.50000112.1M137 L528 I529 V530 V534 Q535 Y536 I553M137-S532 VanDerWaalsContact CE-OG 3.26Å; M137-S532 WeakPolarHBondContact CE-OG 3.44Å; M137-S532 PolarHBondContact SD-OG 3.21Å; L528-S532 PolarHBondContact O-N 2.85Å; L528-S532 PolarHBondContact O-OG 3.25Å; L528-S532 VanDerWaalsContact O-OG 3.12Å; I529-S532 WeakPolarHBondContact O-CB 3.39Å; I529-S532 PolarHBondContact O-N 3.44Å; V530-S532 VanDerWaalsContact C-N 3.26Å; V530-S532 PolarHBondContact O-N 3.28Å; S532-V534 VanDerWaalsContact C-N 3.34Å; S532-Q535 PolarHBondContact O-N 2.93Å; S532-Y536 PolarHBondContact O-N 3.45Å; S532-Y536 VanDerWaalsContact O-N 3.15Å; S532-I553 WeakPolarHBondContact OG-CD1 3.2Å
533H95.3Very high93.5Very high8 Ų814.9 Ų14.94%0.0379%0.088CC..Hα-helixtrans-66.9-35.4174.8-76.4-85.4000112W461 V462 I529 V530 Y536 R537W461-H533 AromaticContact CH2-CD2 3.88Å; W461-H533 HydrophobicContact CZ3-CB 4.09Å; W461-H533 AromaticContact CZ3-CD2 3.51Å; W461-H533 AromaticContact CZ3-CG 3.81Å; V462-H533 HydrophobicContact CG2-CB 4.04Å; I529-H533 PolarHBondContact O-CD2 2.81Å; I529-H533 PolarHBondContact O-N 2.9Å; V530-H533 PolarHBondContact O-N 3.33Å; H533-Y536 PolarHBondContact O-N 2.92Å; H533-R537 WeakPolarHBondContact O-CB 3.26Å; H533-R537 VanDerWaalsContact O-CG 3.23Å; H533-R537 WeakPolarHBondContact O-CG 3.07Å; H533-R537 PolarHBondContact O-N 2.61Å
534V94Very high93.4Very high2 Ų216.5 Ų16.51%0.01210%0.095CC..Hα-helixtrans-62.1-46175173.50000110.7F142 L149 I155 V462 L466 V530 D531 S532 Y536 R537 L538F142-V534 HydrophobicContact CE2-CB 4.15Å; F142-V534 HydrophobicContact CE2-CG1 3.88Å; F142-V534 HydrophobicContact CZ-CB 4.42Å; F142-V534 HydrophobicContact CZ-CG1 3.7Å; L149-V534 HydrophobicContact CD1-CG1 4.23Å; I155-V534 HydrophobicContact CD1-CB 4.42Å; I155-V534 HydrophobicContact CD1-CG1 3.8Å; I155-V534 HydrophobicContact CD1-CG2 4.07Å; V462-V534 HydrophobicContact CG1-CG2 3.72Å; L466-V534 HydrophobicContact CD1-CG2 4.24Å; L466-V534 HydrophobicContact CD2-CG2 4.03Å; L466-V534 HydrophobicContact CG-CG2 4.24Å; V530-V534 HydrophobicContact CG1-CG2 4.24Å; V530-V534 WeakPolarHBondContact O-CG2 3.42Å; V530-V534 PolarHBondContact O-N 3.38Å; D531-V534 PolarHBondContact O-N 3.24Å; S532-V534 VanDerWaalsContact C-N 3.34Å; V534-Y536 VanDerWaalsContact C-N 3.3Å; V534-Y536 PolarHBondContact O-N 2.63Å; V534-R537 CarbonylContact O-C 3.54Å; V534-R537 PolarHBondContact O-N 2.74Å; V534-R537 VanDerWaalsContact O-N 3.11Å; V534-L538 HydrophobicContact CG1-CD1 3.88Å; V534-L538 HydrophobicContact CG1-CG 4.26Å; V534-L538 VanDerWaalsContact O-CG 3.31Å; V534-L538 WeakPolarHBondContact O-CG 3.42Å; V534-L538 PolarHBondContact O-N 2.93Å
535Q92.3Very high93.3Very high26 Ų2617.2 Ų17.212%0.12110%0.099CC..Hα-helixtrans-62.5-36.3177.6-73.4-74.1-17.500112.9P141 F142 D531 S532 N540 V541P141-Q535 HydrophobicContact CB-CG 3.89Å; F142-Q535 HydrophobicContact CE2-CG 4.13Å; F142-Q535 HydrophobicContact CZ-CG 4.08Å; D531-Q535 WeakPolarHBondContact O-CG 3.27Å; D531-Q535 PolarHBondContact O-N 3.17Å; S532-Q535 PolarHBondContact O-N 2.93Å; Q535-N540 PolarHBondContact O-N 3.43Å; Q535-N540 VanDerWaalsContact O-N 3.07Å; Q535-N540 PolarHBondContact OE1-ND2 3.02Å; Q535-V541 HydrophobicContact CB-CB 4.41Å; Q535-V541 HydrophobicContact CB-CG2 3.88Å; Q535-V541 PolarHBondContact O-N 3.41Å
536Y93.2Very high93.3Very high5 Ų517.7 Ų17.72%0.0210%0.102CC..Hα-helixtrans-64.3-44.6170.8164-111.3000111.8L161 S532 H533 V534 L538 G539 V541 A543 L546L161-Y536 HydrophobicContact CB-CD2 4.2Å; L161-Y536 HydrophobicContact CB-CE2 3.6Å; L161-Y536 HydrophobicContact CD1-CD2 4.21Å; L161-Y536 HydrophobicContact CD1-CE2 4.42Å; L161-Y536 PolarHBondContact O-OH 2.8Å; S532-Y536 PolarHBondContact O-N 3.45Å; S532-Y536 VanDerWaalsContact O-N 3.15Å; H533-Y536 PolarHBondContact O-N 2.92Å; V534-Y536 VanDerWaalsContact C-N 3.3Å; V534-Y536 PolarHBondContact O-N 2.63Å; Y536-L538 VanDerWaalsContact C-N 3.3Å; Y536-L538 PolarHBondContact O-N 3.04Å; Y536-G539 PolarHBondContact O-N 3.38Å; Y536-G539 VanDerWaalsContact O-N 3.12Å; Y536-V541 WeakPolarHBondContact CA-O 3.35Å; Y536-A543 HydrophobicContact CE2-CB 3.92Å; Y536-L546 HydrophobicContact CD1-CD2 3.64Å; Y536-L546 HydrophobicContact CD2-CD2 4.22Å; Y536-L546 HydrophobicContact CE1-CD2 4.23Å; Y536-L546 HydrophobicContact CG-CD2 3.63Å
537R93.1Very high93.2Very high6 Ų617.7 Ų17.72%0.02310%0.102CC..Hα-helixtrans-71.2-22.7-179.6-68.2-64.7-59.8-75.9-5.5114.3I155 V158 D460 V462 H533 V534 G539I155-R537 HydrophobicContact CG2-CB 3.86Å; V158-R537 WeakPolarHBondContact CG1-O 3.37Å; D460-R537 IonicContact OD1-NH1 2.74Å; D460-R537 IonicContact OD2-CZ 3.7Å; D460-R537 IonicContact OD2-NH1 3.65Å; D460-R537 PolarHBondContact OD2-NH1 3.05Å; D460-R537 IonicContact OD2-NH2 2.69Å; V462-R537 HydrophobicContact CG2-CG 4.26Å; H533-R537 WeakPolarHBondContact O-CB 3.26Å; H533-R537 VanDerWaalsContact O-CG 3.23Å; H533-R537 WeakPolarHBondContact O-CG 3.07Å; H533-R537 PolarHBondContact O-N 2.61Å; V534-R537 CarbonylContact O-C 3.54Å; V534-R537 PolarHBondContact O-N 2.74Å; V534-R537 VanDerWaalsContact O-N 3.11Å; R537-G539 VanDerWaalsContact C-N 3.28Å
538L91Very high93.2Very high42 Ų4217.5 Ų17.522%0.2210%0.101CC..THydrogen-bonded Turntrans-80.6-5.9172-70.2172.8000113.3F142 L149 N154 I155 V534 Y536 N540F142-L538 HydrophobicContact CZ-CD1 4.18Å; L149-L538 HydrophobicContact CD1-CD1 3.72Å; N154-L538 HydrophobicContact CB-CD2 4.34Å; N154-L538 VanDerWaalsContact O-CD2 3.26Å; N154-L538 WeakPolarHBondContact O-CD2 3.3Å; I155-L538 HydrophobicContact CG1-CD2 4.25Å; V534-L538 HydrophobicContact CG1-CD1 3.88Å; V534-L538 HydrophobicContact CG1-CG 4.26Å; V534-L538 VanDerWaalsContact O-CG 3.31Å; V534-L538 WeakPolarHBondContact O-CG 3.42Å; V534-L538 PolarHBondContact O-N 2.93Å; Y536-L538 VanDerWaalsContact C-N 3.3Å; Y536-L538 PolarHBondContact O-N 3.04Å; L538-N540 VanDerWaalsContact C-N 3.34Å
539G89Confident93.2Very high43 Ų4317.1 Ų17.144%0.44310%0.099SC..THydrogen-bonded Turntrans84.4-0-176.400000115.2Y536 R537Y536-G539 PolarHBondContact O-N 3.38Å; Y536-G539 VanDerWaalsContact O-N 3.12Å; R537-G539 VanDerWaalsContact C-N 3.28Å
540N88Confident93.2Very high90 Ų9017.2 Ų17.248%0.48110%0.1SC..SBendtrans-78.2-20.7-174.9-68.6-28000113.9Q535 L538Q535-N540 PolarHBondContact O-N 3.43Å; Q535-N540 VanDerWaalsContact O-N 3.07Å; Q535-N540 PolarHBondContact OE1-ND2 3.02Å; L538-N540 VanDerWaalsContact C-N 3.34Å
541V88.7Confident93.1Very high13 Ų1317.3 Ų17.38%0.07910%0.1CC..SBendtrans-138135.2-174.4177.10000108.3M137 L161 Q535 Y536 Q545M137-V541 HydrophobicContact CB-CG1 4.37Å; M137-V541 HydrophobicContact CB-CG2 4.25Å; L161-V541 VanDerWaalsContact CD1-O 3.27Å; L161-V541 WeakPolarHBondContact CD1-O 3.43Å; Q535-V541 HydrophobicContact CB-CB 4.41Å; Q535-V541 HydrophobicContact CB-CG2 3.88Å; Q535-V541 PolarHBondContact O-N 3.41Å; Y536-V541 WeakPolarHBondContact CA-O 3.35Å; V541-Q545 HydrophobicContact CG1-CB 3.4Å; V541-Q545 VanDerWaalsContact CG1-CB 3.4Å
542D89.1Confident93Very high36 Ų3619.7 Ų19.719%0.19311%0.109CC..  trans-78.8170.8178.37327000113.3R131 F544 Q545 L546R131-D542 IonicContact CZ-OD2 2.87Å; R131-D542 IonicContact NH1-OD2 2.78Å; R131-D542 PolarHBondContact NH1-OD2 2.84Å; R131-D542 IonicContact NH2-OD2 3Å; R131-D542 PolarHBondContact NH2-OD2 3.34Å; D542-F544 VanDerWaalsContact C-N 3.32Å; D542-F544 PolarHBondContact O-N 2.93Å; D542-F544 PolarHBondContact OD1-N 3.28Å; D542-Q545 PolarHBondContact O-N 3.02Å; D542-Q545 WeakPolarHBondContact OD1-CB 3.35Å; D542-Q545 WeakPolarHBondContact OD1-CG 3.31Å; D542-Q545 PolarHBondContact OD1-N 2.98Å; D542-L546 WeakPolarHBondContact O-CB 3.09Å; D542-L546 PolarHBondContact O-N 2.83Å
543A93.2Very high93.1Very high10 Ų1019.7 Ų19.78%0.08311%0.109CC..Hα-helixtrans-63.3-34.4-178.500000113.4E162 I164 Y536 L546 A547E162-A543 WeakPolarHBondContact O-CB 3.01Å; I164-A543 HydrophobicContact CG1-CB 3.79Å; Y536-A543 HydrophobicContact CE2-CB 3.92Å; A543-L546 PolarHBondContact O-N 3.4Å; A543-A547 WeakPolarHBondContact O-CB 3.32Å; A543-A547 PolarHBondContact O-N 3.02Å
544F94.3Very high93.1Very high35 Ų3519.3 Ų19.315%0.15411%0.108CC..Hα-helixtrans-70.2-41.4178.2-66.2-85.1000112M123 M124 E127 F134 I164 D542 A547 D548M123-F544 HydrophobicContact CB-CE1 4.41Å; M124-F544 HydrophobicContact CG-CD1 4.19Å; M124-F544 HydrophobicContact CG-CE1 4.38Å; E127-F544 HydrophobicContact CB-CD1 3.88Å; E127-F544 HydrophobicContact CB-CE1 3.68Å; E127-F544 HydrophobicContact CB-CG 4.42Å; E127-F544 HydrophobicContact CB-CZ 4.05Å; E127-F544 HydrophobicContact CG-CB 4.4Å; E127-F544 HydrophobicContact CG-CD1 3.77Å; E127-F544 HydrophobicContact CG-CD2 3.96Å; E127-F544 HydrophobicContact CG-CE1 3.93Å; E127-F544 HydrophobicContact CG-CE2 4.11Å; E127-F544 HydrophobicContact CG-CG 3.79Å; E127-F544 HydrophobicContact CG-CZ 4.09Å; F134-F544 HydrophobicContact CE2-CB 3.88Å; F134-F544 HydrophobicContact CZ-CB 4.06Å; I164-F544 HydrophobicContact CD1-CD1 3.75Å; I164-F544 HydrophobicContact CD1-CE1 4.05Å; I164-F544 HydrophobicContact CD1-CG 4.17Å; I164-F544 HydrophobicContact CG1-CD1 4.14Å; I164-F544 HydrophobicContact CG1-CE1 4.1Å; I164-F544 HydrophobicContact CG1-CE2 4.49Å; I164-F544 HydrophobicContact CG1-CG 4.36Å; I164-F544 HydrophobicContact CG1-CZ 4.28Å; I164-F544 HydrophobicContact CG2-CE1 3.76Å; I164-F544 HydrophobicContact CG2-CZ 3.97Å; D542-F544 VanDerWaalsContact C-N 3.32Å; D542-F544 PolarHBondContact O-N 2.93Å; D542-F544 PolarHBondContact OD1-N 3.28Å; F544-A547 PolarHBondContact O-N 3.08Å; F544-D548 PolarHBondContact O-N 3.47Å
545Q93.6Very high93Very high27 Ų2719.4 Ų19.413%0.12611%0.108CC..Hα-helixtrans-68.2-37.3175.9-70.2176.17.500110.8F134 K135 V541 D542 G549F134-Q545 HydrophobicContact CE1-CB 4.49Å; F134-Q545 HydrophobicContact CE1-CG 3.92Å; F134-Q545 HydrophobicContact CZ-CB 4.4Å; F134-Q545 HydrophobicContact CZ-CG 3.89Å; K135-Q545 VanDerWaalsContact O-CG 3.26Å; K135-Q545 WeakPolarHBondContact O-CG 3.34Å; K135-Q545 PolarHBondContact O-NE2 3.2Å; V541-Q545 HydrophobicContact CG1-CB 3.4Å; V541-Q545 VanDerWaalsContact CG1-CB 3.4Å; D542-Q545 PolarHBondContact O-N 3.02Å; D542-Q545 WeakPolarHBondContact OD1-CB 3.35Å; D542-Q545 WeakPolarHBondContact OD1-CG 3.31Å; D542-Q545 PolarHBondContact OD1-N 2.98Å; Q545-G549 WeakPolarHBondContact O-CA 3.35Å; Q545-G549 PolarHBondContact O-N 3.18Å
546L94.6Very high93Very high14 Ų1419.2 Ų19.27%0.07311%0.107CC..Hα-helixtrans-58.4-49168.4173.463.4000110.3Y536 D542 A543 G549 L550Y536-L546 HydrophobicContact CD1-CD2 3.64Å; Y536-L546 HydrophobicContact CD2-CD2 4.22Å; Y536-L546 HydrophobicContact CE1-CD2 4.23Å; Y536-L546 HydrophobicContact CG-CD2 3.63Å; D542-L546 WeakPolarHBondContact O-CB 3.09Å; D542-L546 PolarHBondContact O-N 2.83Å; A543-L546 PolarHBondContact O-N 3.4Å; L546-G549 PolarHBondContact O-N 3.3Å; L546-L550 HydrophobicContact CD1-CD1 4.18Å; L546-L550 HydrophobicContact CD1-CG 4.13Å; L546-L550 HydrophobicContact CG-CD1 4.25Å; L546-L550 WeakPolarHBondContact O-CG 3.25Å; L546-L550 PolarHBondContact O-N 3.26Å
547A95.5Very high92.9Very high1 Ų119 Ų191%0.00811%0.107CC..Hα-helixtrans-62.9-45.4-179.900000112.6M124 I164 A543 F544 G549 L550 Q551 G600M124-A547 HydrophobicContact CE-CB 3.82Å; I164-A547 HydrophobicContact CD1-CB 4.08Å; A543-A547 WeakPolarHBondContact O-CB 3.32Å; A543-A547 PolarHBondContact O-N 3.02Å; F544-A547 PolarHBondContact O-N 3.08Å; A547-G549 VanDerWaalsContact C-N 3.29Å; A547-G549 PolarHBondContact O-N 3.14Å; A547-L550 PolarHBondContact O-N 3.05Å; A547-Q551 WeakPolarHBondContact O-CB 3.31Å; A547-Q551 PolarHBondContact O-N 3.36Å; A547-G600 VanDerWaalsContact C-CA 3.49Å
548D94.8Very high92.5Very high0 Ų018.9 Ų18.90%011%0.107CC..Hα-helixtrans-63.1-37.4173.2178.883.7000111F134 R136 F544 Q551 Y552 G598 V599F134-D548 HydrophobicContact CE1-CB 3.76Å; F134-D548 HydrophobicContact CZ-CB 3.98Å; R136-D548 IonicContact CZ-OD2 3.61Å; R136-D548 IonicContact NE-OD2 2.94Å; R136-D548 PolarHBondContact NE-OD2 2.84Å; R136-D548 IonicContact NH2-OD1 2.93Å; R136-D548 PolarHBondContact NH2-OD1 2.97Å; R136-D548 IonicContact NH2-OD2 2.67Å; R136-D548 PolarHBondContact NH2-OD2 3.43Å; R136-D548 VanDerWaalsContact NH2-OD2 3.08Å; F544-D548 PolarHBondContact O-N 3.47Å; D548-Q551 PolarHBondContact O-N 3.23Å; D548-Y552 WeakPolarHBondContact O-CB 3.48Å; D548-Y552 PolarHBondContact O-N 3.46Å; D548-G598 PolarHBondContact OD1-N 3.49Å; D548-V599 PolarHBondContact OD1-N 3.09Å
549G94.4Very high92.2Very high0 Ų019.1 Ų19.10%011%0.107CC..Hα-helixtrans-63.5-47.1177.800000112.9F139 Q545 L546 A547 Q551 Y552 I553F139-G549 WeakPolarHBondContact CZ-O 3.43Å; Q545-G549 WeakPolarHBondContact O-CA 3.35Å; Q545-G549 PolarHBondContact O-N 3.18Å; L546-G549 PolarHBondContact O-N 3.3Å; A547-G549 VanDerWaalsContact C-N 3.29Å; A547-G549 PolarHBondContact O-N 3.14Å; G549-Q551 PolarHBondContact O-N 3.5Å; G549-Y552 WeakPolarHBondContact O-CB 3.38Å; G549-Y552 PolarHBondContact O-N 3.1Å; G549-I553 WeakPolarHBondContact O-CG1 3.42Å; G549-I553 PolarHBondContact O-N 3.13Å
550L96.3Very high92.2Very high2 Ų218.4 Ų18.41%0.019%0.093CC..Hα-helixtrans-62.3-42.8173.7-67.8175.5000111.5M79 I529 L546 A547 Y552 I553 F554 W602M79-L550 HydrophobicContact CE-CD1 3.88Å; M79-L550 HydrophobicContact SD-CD1 4.35Å; M79-L550 HydrophobicContact SD-CD2 4.22Å; I529-L550 HydrophobicContact CG2-CD2 3.85Å; L546-L550 HydrophobicContact CD1-CD1 4.18Å; L546-L550 HydrophobicContact CD1-CG 4.13Å; L546-L550 HydrophobicContact CG-CD1 4.25Å; L546-L550 WeakPolarHBondContact O-CG 3.25Å; L546-L550 PolarHBondContact O-N 3.26Å; A547-L550 PolarHBondContact O-N 3.05Å; L550-Y552 VanDerWaalsContact C-N 3.28Å; L550-Y552 PolarHBondContact O-N 2.92Å; L550-I553 PolarHBondContact O-N 3.22Å; L550-F554 HydrophobicContact CB-CE2 4.41Å; L550-F554 WeakPolarHBondContact O-CD2 3.42Å; L550-F554 PolarHBondContact O-N 3.15Å; L550-W602 HydrophobicContact CB-CB 4.23Å; L550-W602 HydrophobicContact CB-CG 3.97Å
551Q95.2Very high92.3Very high2 Ų214.1 Ų14.11%0.0097%0.07CC..Hα-helixtrans-60.5-41.1175.6175.565.4-34.800111.5A547 D548 G549 S555 Y585 V599 F601 W602A547-Q551 WeakPolarHBondContact O-CB 3.31Å; A547-Q551 PolarHBondContact O-N 3.36Å; D548-Q551 PolarHBondContact O-N 3.23Å; G549-Q551 PolarHBondContact O-N 3.5Å; Q551-S555 WeakPolarHBondContact O-CB 3.36Å; Q551-S555 PolarHBondContact O-N 3Å; Q551-S555 VanDerWaalsContact O-N 3.07Å; Q551-S555 PolarHBondContact O-OG 3.38Å; Q551-Y585 HydrophobicContact CG-CE1 4.44Å; Q551-V599 WeakPolarHBondContact CB-O 3.5Å; Q551-V599 VanDerWaalsContact CG-O 3.27Å; Q551-V599 WeakPolarHBondContact CG-O 3.44Å; Q551-F601 VanDerWaalsContact CD-O 3.3Å; Q551-F601 PolarHBondContact NE2-O 2.88Å; Q551-F601 PolarHBondContact OE1-O 3.41Å; Q551-W602 HydrophobicContact CB-CB 3.97Å; Q551-W602 VanDerWaalsContact OE1-CA 3.28Å
552Y93.5Very high92Very high51 Ų5113.5 Ų13.520%0.27%0.066CC..Hα-helixtrans-62.8-49.5175.8-173.2-93.3000111.1F139 D548 G549 L550 F554 S555 H556 L560F139-Y552 AromaticContact CD2-CD1 3.51Å; F139-Y552 HydrophobicContact CD2-CD1 3.51Å; F139-Y552 AromaticContact CD2-CE1 3.73Å; F139-Y552 HydrophobicContact CD2-CE1 3.73Å; F139-Y552 HydrophobicContact CD2-CG 4.48Å; F139-Y552 AromaticContact CE2-CD1 3.39Å; F139-Y552 HydrophobicContact CE2-CD1 3.39Å; F139-Y552 HydrophobicContact CE2-CE1 4.08Å; F139-Y552 AromaticContact CE2-CG 4Å; F139-Y552 HydrophobicContact CE2-CG 4Å; F139-Y552 HydrophobicContact CG-CD1 4.38Å; F139-Y552 HydrophobicContact CZ-CD1 4.2Å; D548-Y552 WeakPolarHBondContact O-CB 3.48Å; D548-Y552 PolarHBondContact O-N 3.46Å; G549-Y552 WeakPolarHBondContact O-CB 3.38Å; G549-Y552 PolarHBondContact O-N 3.1Å; L550-Y552 VanDerWaalsContact C-N 3.28Å; L550-Y552 PolarHBondContact O-N 2.92Å; Y552-F554 PolarHBondContact O-N 3.16Å; Y552-S555 PolarHBondContact O-N 2.91Å; Y552-H556 HydrophobicContact CD1-CB 4.47Å; Y552-H556 AromaticContact CD2-CD2 3.73Å; Y552-H556 HydrophobicContact CE1-CB 4.19Å; Y552-H556 AromaticContact CE2-CD2 3.74Å; Y552-H556 VanDerWaalsContact O-CB 3.26Å; Y552-H556 WeakPolarHBondContact O-CB 3.45Å; Y552-H556 PolarHBondContact O-CD2 3.24Å; Y552-H556 PolarHBondContact O-N 3.42Å; Y552-L560 HydrophobicContact CD1-CD1 4.15Å; Y552-L560 HydrophobicContact CE1-CD1 4.1Å; Y552-L560 HydrophobicContact CE1-CD2 4.23Å; Y552-L560 HydrophobicContact CE1-CG 4.42Å
553I95.5Very high92Very high0 Ų011.9 Ų11.90%06%0.057CC..Hα-helixtrans-54.8-55178.5-68.9164000110.8F139 L525 L528 I529 S532 G549 L550 S555 H556 V557 L560F139-I553 HydrophobicContact CD1-CD1 4.15Å; F139-I553 HydrophobicContact CD1-CG1 3.93Å; F139-I553 HydrophobicContact CE1-CD1 3.47Å; F139-I553 VanDerWaalsContact CE1-CD1 3.47Å; F139-I553 HydrophobicContact CE1-CG1 3.46Å; F139-I553 VanDerWaalsContact CE1-CG1 3.46Å; F139-I553 HydrophobicContact CZ-CD1 4.22Å; F139-I553 HydrophobicContact CZ-CG1 3.96Å; L525-I553 HydrophobicContact CD1-CG2 3.64Å; L528-I553 HydrophobicContact CB-CD1 4.26Å; I529-I553 HydrophobicContact CD1-CG2 4.49Å; I529-I553 HydrophobicContact CG1-CD1 4.3Å; I529-I553 HydrophobicContact CG1-CG2 3.95Å; S532-I553 WeakPolarHBondContact OG-CD1 3.2Å; G549-I553 WeakPolarHBondContact O-CG1 3.42Å; G549-I553 PolarHBondContact O-N 3.13Å; L550-I553 PolarHBondContact O-N 3.22Å; I553-S555 VanDerWaalsContact C-N 3.28Å; I553-S555 PolarHBondContact O-N 3.21Å; I553-H556 CarbonylContact O-C 3.55Å; I553-H556 PolarHBondContact O-N 3.11Å; I553-H556 VanDerWaalsContact O-N 3.16Å; I553-V557 WeakPolarHBondContact O-CG2 3.42Å; I553-V557 PolarHBondContact O-N 2.88Å; I553-L560 HydrophobicContact CB-CD1 4.4Å; I553-L560 HydrophobicContact CG1-CD1 4.08Å
554F95.9Very high91.8Very high1 Ų112.7 Ų12.70%0.0046%0.058CC..Hα-helixtrans-66.7-28.9-176.1-68.4-56.9000113.4M79 I529 L550 Y552 W602 W606 W609M79-F554 HydrophobicContact CE-CE2 4.03Å; M79-F554 HydrophobicContact CE-CZ 4.33Å; M79-F554 HydrophobicContact SD-CE2 4.33Å; M79-F554 HydrophobicContact SD-CZ 4.15Å; I529-F554 HydrophobicContact CD1-CE1 3.56Å; I529-F554 HydrophobicContact CD1-CZ 3.66Å; I529-F554 HydrophobicContact CG1-CZ 4.33Å; L550-F554 HydrophobicContact CB-CE2 4.41Å; L550-F554 WeakPolarHBondContact O-CD2 3.42Å; L550-F554 PolarHBondContact O-N 3.15Å; Y552-F554 PolarHBondContact O-N 3.16Å; F554-W602 HydrophobicContact CD2-CB 4.22Å; F554-W602 HydrophobicContact CE2-CE3 4.43Å; F554-W606 HydrophobicContact CD2-CB 4.06Å; F554-W606 HydrophobicContact CE2-CB 3.85Å; F554-W606 HydrophobicContact CE2-CG 4.41Å; F554-W606 HydrophobicContact CZ-CB 4.08Å; F554-W606 AromaticContact CZ-CD1 3.71Å; F554-W606 HydrophobicContact CZ-CG 4.32Å; F554-W609 HydrophobicContact CD1-CB 4.29Å; F554-W609 AromaticContact CD1-CD1 3.52Å; F554-W609 HydrophobicContact CD1-CG 4.12Å; F554-W609 HydrophobicContact CE1-CB 4.5Å; F554-W609 PolarHBondContact O-NE1 2.86Å
555S92.6Very high91.2Very high3 Ų314.1 Ų14.12%0.0216%0.063CC..Hα-helixtrans-78.3-28.2175.5-66.60000113.2Q551 Y552 I553Q551-S555 WeakPolarHBondContact O-CB 3.36Å; Q551-S555 PolarHBondContact O-N 3Å; Q551-S555 VanDerWaalsContact O-N 3.07Å; Q551-S555 PolarHBondContact O-OG 3.38Å; Y552-S555 PolarHBondContact O-N 2.91Å; I553-S555 VanDerWaalsContact C-N 3.28Å; I553-S555 PolarHBondContact O-N 3.21Å
556H91.2Very high90.9Very high23 Ų2314.4 Ų14.411%0.1066%0.063CC..Hα-helixtrans-117.819.9-170.1-68.8-94.9000114.6Y552 I553 G558 Q559 L560 K581Y552-H556 HydrophobicContact CD1-CB 4.47Å; Y552-H556 AromaticContact CD2-CD2 3.73Å; Y552-H556 HydrophobicContact CE1-CB 4.19Å; Y552-H556 AromaticContact CE2-CD2 3.74Å; Y552-H556 VanDerWaalsContact O-CB 3.26Å; Y552-H556 WeakPolarHBondContact O-CB 3.45Å; Y552-H556 PolarHBondContact O-CD2 3.24Å; Y552-H556 PolarHBondContact O-N 3.42Å; I553-H556 CarbonylContact O-C 3.55Å; I553-H556 PolarHBondContact O-N 3.11Å; I553-H556 VanDerWaalsContact O-N 3.16Å; H556-G558 PolarHBondContact O-N 2.7Å; H556-Q559 PolarHBondContact ND1-OE1 3.14Å; H556-Q559 WeakPolarHBondContact O-CA 3.3Å; H556-Q559 PolarHBondContact O-N 2.98Å; H556-L560 HydrophobicContact CB-CG 4.48Å; H556-L560 PolarHBondContact O-N 3.09Å; H556-K581 PolarHBondContact CE1-NZ 2.9Å; H556-K581 PolarHBondContact NE2-NZ 3.19Å
557V92.1Very high90.7Very high1 Ų116.3 Ų16.31%0.0067%0.071CC..Hα-helixtrans-50.8-34.2175.3179.90000113.2L525 I553 Q559 T561 M563 W609L525-V557 HydrophobicContact CD1-CG1 4.23Å; L525-V557 HydrophobicContact CD1-CG2 3.72Å; L525-V557 HydrophobicContact CD2-CG1 4.19Å; L525-V557 HydrophobicContact CD2-CG2 4.37Å; I553-V557 WeakPolarHBondContact O-CG2 3.42Å; I553-V557 PolarHBondContact O-N 2.88Å; V557-Q559 PolarHBondContact O-N 2.81Å; V557-T561 HydrophobicContact CG1-CG2 4.14Å; V557-T561 WeakPolarHBondContact CG1-OG1 3.25Å; V557-T561 WeakPolarHBondContact O-CA 3.35Å; V557-T561 WeakPolarHBondContact O-CB 3.31Å; V557-T561 PolarHBondContact O-N 3.15Å; V557-T561 PolarHBondContact O-OG1 3.17Å; V557-M563 HydrophobicContact CG1-SD 3.67Å; V557-W609 HydrophobicContact CB-CH2 3.77Å; V557-W609 HydrophobicContact CB-CZ2 3.33Å; V557-W609 HydrophobicContact CG1-CH2 3.5Å; V557-W609 VanDerWaalsContact CG1-CH2 3.5Å; V557-W609 HydrophobicContact CG1-CZ2 3.62Å; V557-W609 HydrophobicContact CG1-CZ3 3.99Å; V557-W609 HydrophobicContact CG2-CD2 4.11Å; V557-W609 HydrophobicContact CG2-CH2 4.24Å; V557-W609 HydrophobicContact CG2-CZ2 3.5Å
558G84.8Confident90.2Very high3 Ų324.2 Ų24.23%0.03110%0.102CC..Hα-helixtrans-70.7-13.817700000115.7H556 Y564 V1523 G1524H556-G558 PolarHBondContact O-N 2.7Å; G558-Y564 WeakPolarHBondContact O-CE1 2.98Å; G558-V1523 WeakPolarHBondContact O-CG1 3.49Å; G558-G1524 PolarHBondContact O-N 3.2Å
559Q84.4Confident89.9Confident46 Ų4632 Ų3222%0.21514%0.135CC..Hα-helixtrans-104.8-43.4176.8-71.5176-22.800110.8H556 V557 V1521 F1525H556-Q559 PolarHBondContact ND1-OE1 3.14Å; H556-Q559 WeakPolarHBondContact O-CA 3.3Å; H556-Q559 PolarHBondContact O-N 2.98Å; V557-Q559 PolarHBondContact O-N 2.81Å; Q559-V1521 PolarHBondContact NE2-O 3.37Å; Q559-F1525 WeakPolarHBondContact O-CA 3.36Å
560L88.1Confident89.8Confident28 Ų2832 Ų3215%0.14714%0.135CC..Hα-helixtrans-74.4-25.3178.4-61.9178.1000113.4F139 L528 Y552 I553 H556 F1525F139-L560 HydrophobicContact CB-CD2 3.83Å; F139-L560 HydrophobicContact CG-CD1 4.43Å; L528-L560 HydrophobicContact CD1-CB 3.94Å; L528-L560 HydrophobicContact CD1-CD1 4.42Å; Y552-L560 HydrophobicContact CD1-CD1 4.15Å; Y552-L560 HydrophobicContact CE1-CD1 4.1Å; Y552-L560 HydrophobicContact CE1-CD2 4.23Å; Y552-L560 HydrophobicContact CE1-CG 4.42Å; I553-L560 HydrophobicContact CB-CD1 4.4Å; I553-L560 HydrophobicContact CG1-CD1 4.08Å; H556-L560 HydrophobicContact CB-CG 4.48Å; H556-L560 PolarHBondContact O-N 3.09Å; L560-F1525 WeakPolarHBondContact O-CD2 3.11Å; L560-F1525 VanDerWaalsContact O-CE2 3.29Å; L560-F1525 WeakPolarHBondContact O-CE2 3.38Å
561T89.7Confident89.3Confident1 Ų132.8 Ų32.81%0.00614%0.139CC..  trans-126.1162.7178.780.80000112.3R524 L525 L528 V557 M563R524-T561 HydrophobicContact CG-CG2 4.36Å; L525-T561 HydrophobicContact CB-CG2 4.19Å; L528-T561 HydrophobicContact CD1-CG2 4.42Å; V557-T561 HydrophobicContact CG1-CG2 4.14Å; V557-T561 WeakPolarHBondContact CG1-OG1 3.25Å; V557-T561 WeakPolarHBondContact O-CA 3.35Å; V557-T561 WeakPolarHBondContact O-CB 3.31Å; V557-T561 PolarHBondContact O-N 3.15Å; V557-T561 PolarHBondContact O-OG1 3.17Å; T561-M563 WeakPolarHBondContact OG1-CG 3.46Å
562G83Confident89.1Confident0 Ų036.8 Ų36.80%015%0.154CC..  trans-9814.2176.200000115.1E521 Y564 R565 Y566E521-G562 VanDerWaalsContact CD-N 3.3Å; E521-G562 PolarHBondContact OE2-N 2.88Å; G562-Y564 VanDerWaalsContact C-N 3.28Å; G562-Y564 PolarHBondContact O-N 2.92Å; G562-Y564 VanDerWaalsContact O-N 3.16Å; G562-R565 WeakPolarHBondContact O-CB 3.25Å; G562-R565 WeakPolarHBondContact O-CG 3.2Å; G562-R565 PolarHBondContact O-N 3.24Å; G562-Y566 WeakPolarHBondContact O-CD2 3.21Å
563M90.3Very high89.1Confident1 Ų135.5 Ų35.51%0.00515%0.15CC..Hα-helixtrans-56.9-38.1-168.6-59.1169.186.400113.7L518 E521 I522 L525 V557 T561 R565 Y566 K567 L570 W609 F612L518-M563 HydrophobicContact CD1-CB 4.24Å; E521-M563 HydrophobicContact CB-CB 4.32Å; E521-M563 HydrophobicContact CB-CG 3.52Å; I522-M563 HydrophobicContact CD1-CE 4.43Å; I522-M563 HydrophobicContact CG1-CE 3.5Å; L525-M563 HydrophobicContact CD2-SD 4.34Å; V557-M563 HydrophobicContact CG1-SD 3.67Å; T561-M563 WeakPolarHBondContact OG1-CG 3.46Å; M563-R565 PolarHBondContact O-N 3.01Å; M563-R565 VanDerWaalsContact O-N 3.12Å; M563-Y566 PolarHBondContact O-N 2.96Å; M563-K567 PolarHBondContact O-N 3.18Å; M563-L570 HydrophobicContact CB-CD2 3.29Å; M563-L570 HydrophobicContact CE-CD2 3.76Å; M563-L570 HydrophobicContact CG-CD2 4.21Å; M563-L570 HydrophobicContact SD-CD2 3.94Å; M563-W609 HydrophobicContact CE-CZ3 4.39Å; M563-W609 HydrophobicContact SD-CZ3 4.15Å; M563-F612 HydrophobicContact CE-CD1 4.4Å; M563-F612 HydrophobicContact CE-CE1 3.46Å; M563-F612 VanDerWaalsContact CE-CE1 3.46Å; M563-F612 HydrophobicContact CE-CZ 3.89Å
564Y87.2Confident88.9Confident27 Ų2735.7 Ų35.711%0.10615%0.151CC..Hα-helixtrans-59.7-23.4179.169.8-85.4000113.2G558 G562 K567 Y568 V1523 G1524 F1525G558-Y564 WeakPolarHBondContact O-CE1 2.98Å; G562-Y564 VanDerWaalsContact C-N 3.28Å; G562-Y564 PolarHBondContact O-N 2.92Å; G562-Y564 VanDerWaalsContact O-N 3.16Å; Y564-K567 CarbonylContact O-C 3.6Å; Y564-Y568 VanDerWaalsContact O-CA 3.26Å; Y564-Y568 WeakPolarHBondContact O-CA 3.41Å; Y564-Y568 PolarHBondContact O-N 3.05Å; Y564-V1523 HydrophobicContact CD1-CG1 3.3Å; Y564-V1523 HydrophobicContact CD2-CG1 3.62Å; Y564-V1523 HydrophobicContact CE1-CG1 3.4Å; Y564-V1523 HydrophobicContact CE2-CG1 3.69Å; Y564-V1523 HydrophobicContact CG-CG1 3.44Å; Y564-V1523 VanDerWaalsContact CG-CG1 3.44Å; Y564-G1524 VanDerWaalsContact OH-CA 3.3Å; Y564-G1524 WeakPolarHBondContact OH-CA 3.3Å; Y564-F1525 PolarHBondContact OH-N 3.18Å; Y564-F1525 VanDerWaalsContact OH-N 3.11Å
565R82.1Confident88.7Confident65 Ų6541 Ų4125%0.24517%0.171CC..Hα-helixtrans-69.4-35.3177-58.5173.8178.3-174.8-6.8111.7G562 M563 F1525G562-R565 WeakPolarHBondContact O-CB 3.25Å; G562-R565 WeakPolarHBondContact O-CG 3.2Å; G562-R565 PolarHBondContact O-N 3.24Å; M563-R565 PolarHBondContact O-N 3.01Å; M563-R565 VanDerWaalsContact O-N 3.12Å; R565-F1525 PolarHBondContact NH2-O 2.99Å
566Y88.7Confident88.8Confident34 Ų3442.6 Ų42.613%0.13318%0.179CC..Hα-helixtrans-97.8-19.3-176.5-49.9-66.7000112H517 R520 E521 G562 M563H517-Y566 HydrophobicContact CB-CD1 3.34Å; H517-Y566 HydrophobicContact CB-CD2 3.7Å; H517-Y566 HydrophobicContact CB-CE1 3.26Å; H517-Y566 HydrophobicContact CB-CE2 3.65Å; H517-Y566 HydrophobicContact CB-CG 3.55Å; H517-Y566 VanDerWaalsContact CB-CZ 3.42Å; H517-Y566 AromaticContact CD2-CE1 3.54Å; H517-Y566 AromaticContact CG-CD1 3.91Å; H517-Y566 AromaticContact CG-CE1 3.39Å; H517-Y566 AromaticContact CG-CZ 3.63Å; H517-Y566 AromaticContact ND1-CZ 3.97Å; R520-Y566 PolarHBondContact NH2-OH 3.27Å; E521-Y566 HydrophobicContact CG-CD2 3.84Å; E521-Y566 HydrophobicContact CG-CE2 3.66Å; G562-Y566 WeakPolarHBondContact O-CD2 3.21Å; M563-Y566 PolarHBondContact O-N 2.96Å
567K90.2Very high88.9Confident54 Ų5441.6 Ų41.624%0.23517%0.174CC..  trans-148.799.6167.8-174.4177.3178.980.70111.2L518 M563 Y564 K569 L570 I616 L619L518-K567 HydrophobicContact CD1-CB 4.25Å; L518-K567 HydrophobicContact CD2-CB 4.13Å; L518-K567 HydrophobicContact CD2-CD 4.17Å; M563-K567 PolarHBondContact O-N 3.18Å; Y564-K567 CarbonylContact O-C 3.6Å; K567-K569 VanDerWaalsContact C-N 3.27Å; K567-K569 HydrophobicContact CG-CB 4.5Å; K567-K569 PolarHBondContact O-N 3.43Å; K567-L570 HydrophobicContact CB-CD1 3.74Å; K567-L570 HydrophobicContact CD-CD1 3.55Å; K567-L570 HydrophobicContact CG-CD1 3.6Å; K567-L570 WeakPolarHBondContact O-CB 3.29Å; K567-L570 WeakPolarHBondContact O-CD1 3.39Å; K567-L570 PolarHBondContact O-N 2.71Å; K567-I616 HydrophobicContact CD-CD1 3.38Å; K567-I616 VanDerWaalsContact CE-CD1 3.46Å; K567-L619 VanDerWaalsContact NZ-CD2 3.3Å
568Y84.9Confident88.9Confident167 Ų16742.8 Ų42.866%0.65518%0.18SC*.G310 helixtrans-67.6-21.8-175.9-165.2-104.5000114.6Y564 L570 M571Y564-Y568 VanDerWaalsContact O-CA 3.26Å; Y564-Y568 WeakPolarHBondContact O-CA 3.41Å; Y564-Y568 PolarHBondContact O-N 3.05Å; Y568-L570 PolarHBondContact O-N 3.36Å; Y568-M571 HydrophobicContact CD1-CG 4.22Å; Y568-M571 HydrophobicContact CD2-CG 4Å; Y568-M571 HydrophobicContact CE1-CG 3.94Å; Y568-M571 HydrophobicContact CE2-CG 3.7Å; Y568-M571 HydrophobicContact CE2-SD 4.27Å; Y568-M571 HydrophobicContact CG-CG 4.26Å; Y568-M571 WeakPolarHBondContact O-CB 3.33Å; Y568-M571 VanDerWaalsContact O-CG 3.28Å; Y568-M571 WeakPolarHBondContact O-CG 3.23Å; Y568-M571 PolarHBondContact O-N 2.76Å
569K88.5Confident89.3Confident162 Ų16242.8 Ų42.870%0.70418%0.179SC*.G310 helixtrans-58-21.5176.9-169.5167-177.5169.70112.9K567 M571 R572 Q573K567-K569 VanDerWaalsContact C-N 3.27Å; K567-K569 HydrophobicContact CG-CB 4.5Å; K567-K569 PolarHBondContact O-N 3.43Å; K569-M571 PolarHBondContact O-N 2.95Å; K569-M571 VanDerWaalsContact O-N 3.15Å; K569-R572 PolarHBondContact O-N 3.08Å; K569-R572 VanDerWaalsContact O-N 3.15Å; K569-Q573 PolarHBondContact O-OE1 2.88Å
570L91Very high89.8Confident1 Ų141 Ų411%0.00517%0.171CC..G310 helixtrans-58.9-20.1173-8967.5000113.9M563 K567 Y568 R572 Q573 I574 W609 F612M563-L570 HydrophobicContact CB-CD2 3.29Å; M563-L570 HydrophobicContact CE-CD2 3.76Å; M563-L570 HydrophobicContact CG-CD2 4.21Å; M563-L570 HydrophobicContact SD-CD2 3.94Å; K567-L570 HydrophobicContact CB-CD1 3.74Å; K567-L570 HydrophobicContact CD-CD1 3.55Å; K567-L570 HydrophobicContact CG-CD1 3.6Å; K567-L570 WeakPolarHBondContact O-CB 3.29Å; K567-L570 WeakPolarHBondContact O-CD1 3.39Å; K567-L570 PolarHBondContact O-N 2.71Å; Y568-L570 PolarHBondContact O-N 3.36Å; L570-R572 PolarHBondContact O-N 2.98Å; L570-R572 VanDerWaalsContact O-N 3.15Å; L570-Q573 WeakPolarHBondContact O-CB 3.45Å; L570-Q573 PolarHBondContact O-N 3.44Å; L570-I574 PolarHBondContact O-N 2.87Å; L570-W609 HydrophobicContact CD2-CZ3 4.25Å; L570-F612 HydrophobicContact CD1-CD2 4.11Å; L570-F612 HydrophobicContact CD1-CE2 3.23Å; L570-F612 HydrophobicContact CD1-CZ 3.68Å; L570-F612 HydrophobicContact CD2-CE1 4.48Å; L570-F612 HydrophobicContact CD2-CE2 4.14Å; L570-F612 HydrophobicContact CD2-CZ 3.9Å; L570-F612 HydrophobicContact CG-CD2 4.15Å; L570-F612 HydrophobicContact CG-CE2 3.61Å; L570-F612 HydrophobicContact CG-CZ 3.91Å
571M85.9Confident90.1Very high18 Ų1841.3 Ų41.39%0.08917%0.171CC..Hα-helixtrans-51.3-39173-72.1-58-60.100110.7Y568 K569 Q573 I574 R575 Y1522 V1523Y568-M571 HydrophobicContact CD1-CG 4.22Å; Y568-M571 HydrophobicContact CD2-CG 4Å; Y568-M571 HydrophobicContact CE1-CG 3.94Å; Y568-M571 HydrophobicContact CE2-CG 3.7Å; Y568-M571 HydrophobicContact CE2-SD 4.27Å; Y568-M571 HydrophobicContact CG-CG 4.26Å; Y568-M571 WeakPolarHBondContact O-CB 3.33Å; Y568-M571 VanDerWaalsContact O-CG 3.28Å; Y568-M571 WeakPolarHBondContact O-CG 3.23Å; Y568-M571 PolarHBondContact O-N 2.76Å; K569-M571 PolarHBondContact O-N 2.95Å; K569-M571 VanDerWaalsContact O-N 3.15Å; M571-Q573 VanDerWaalsContact C-N 3.28Å; M571-Q573 PolarHBondContact O-N 2.89Å; M571-I574 PolarHBondContact O-N 2.95Å; M571-I574 HydrophobicContact SD-CD1 4.25Å; M571-R575 WeakPolarHBondContact O-CB 3.23Å; M571-R575 WeakPolarHBondContact O-CG 3.13Å; M571-R575 PolarHBondContact O-N 3.07Å; M571-Y1522 HydrophobicContact CE-CD1 3.74Å; M571-Y1522 HydrophobicContact CE-CE1 3.58Å; M571-V1523 HydrophobicContact CE-CB 4.24Å; M571-V1523 HydrophobicContact CE-CG2 3.6Å; M571-V1523 HydrophobicContact SD-CB 4.11Å; M571-V1523 HydrophobicContact SD-CG1 4.01Å; M571-V1523 HydrophobicContact SD-CG2 3.69Å
572R91Very high90.2Very high86 Ų8642.4 Ų42.433%0.32518%0.176SC..Hα-helixtrans-51-47.8175.7179.8178.6176.4-95.17.6112.1Y425 K569 L570 M576Y425-R572 HydrophobicContact CE1-CG 4.07Å; K569-R572 PolarHBondContact O-N 3.08Å; K569-R572 VanDerWaalsContact O-N 3.15Å; L570-R572 PolarHBondContact O-N 2.98Å; L570-R572 VanDerWaalsContact O-N 3.15Å; R572-M576 WeakPolarHBondContact O-CB 3.3Å; R572-M576 PolarHBondContact O-N 3.48Å
573Q94.3Very high90.7Very high24 Ų2442.5 Ų42.511%0.11218%0.176CC..Hα-helixtrans-68.9-47179.1-7571.425.100112K569 L570 M571 R575 M576 C577 V608 W609 F612K569-Q573 PolarHBondContact O-OE1 2.88Å; L570-Q573 WeakPolarHBondContact O-CB 3.45Å; L570-Q573 PolarHBondContact O-N 3.44Å; M571-Q573 VanDerWaalsContact C-N 3.28Å; M571-Q573 PolarHBondContact O-N 2.89Å; Q573-R575 VanDerWaalsContact C-N 3.27Å; Q573-R575 PolarHBondContact O-N 3.14Å; Q573-M576 WeakPolarHBondContact O-CB 3.48Å; Q573-M576 PolarHBondContact O-N 2.83Å; Q573-M576 VanDerWaalsContact O-N 3.1Å; Q573-C577 PolarHBondContact O-N 3.26Å; Q573-C577 PolarHBondContact O-SG 3.02Å; Q573-C577 VanDerWaalsContact O-SG 3.37Å; Q573-V608 HydrophobicContact CB-CG1 3.82Å; Q573-V608 HydrophobicContact CG-CG1 3.79Å; Q573-W609 HydrophobicContact CB-CH2 4.27Å; Q573-W609 HydrophobicContact CB-CZ2 4.44Å; Q573-F612 HydrophobicContact CG-CB 4.07Å
574I91.5Very high90.9Very high5 Ų542.5 Ų42.53%0.02618%0.176CC..Hα-helixtrans-58.9-42179-62.8163.9000110.8L570 M571 C577 K578 W609 V1523L570-I574 PolarHBondContact O-N 2.87Å; M571-I574 PolarHBondContact O-N 2.95Å; M571-I574 HydrophobicContact SD-CD1 4.25Å; I574-C577 PolarHBondContact O-N 3.21Å; I574-K578 PolarHBondContact O-N 3.33Å; I574-W609 HydrophobicContact CG1-CH2 3.92Å; I574-W609 HydrophobicContact CG1-CZ2 4.01Å; I574-V1523 HydrophobicContact CD1-CG1 4.47Å; I574-V1523 HydrophobicContact CD1-CG2 4.23Å; I574-V1523 HydrophobicContact CG2-CG2 3.69Å
575R90.5Very high91.2Very high111 Ų11143.2 Ų43.242%0.41918%0.179SC..Hα-helixtrans-63.2-46.6175.5-59.7-154.2-79.7-150.7-10.4111.2M571 Q573 C577 K578 D579 Y1522M571-R575 WeakPolarHBondContact O-CB 3.23Å; M571-R575 WeakPolarHBondContact O-CG 3.13Å; M571-R575 PolarHBondContact O-N 3.07Å; Q573-R575 VanDerWaalsContact C-N 3.27Å; Q573-R575 PolarHBondContact O-N 3.14Å; R575-C577 VanDerWaalsContact C-N 3.34Å; R575-C577 PolarHBondContact O-N 2.9Å; R575-K578 WeakPolarHBondContact O-CB 3.29Å; R575-K578 PolarHBondContact O-N 3.01Å; R575-K578 VanDerWaalsContact O-N 3.11Å; R575-D579 PolarHBondContact O-N 3.02Å; R575-D579 VanDerWaalsContact O-OD2 3.13Å; R575-Y1522 WeakPolarHBondContact CB-OH 3.41Å; R575-Y1522 VanDerWaalsContact CD-OH 3.3Å; R575-Y1522 WeakPolarHBondContact CD-OH 3.32Å; R575-Y1522 HydrophobicContact CG-CE1 3.85Å; R575-Y1522 WeakPolarHBondContact CG-OH 3.43Å
576M94.5Very high91.6Very high37 Ų3744 Ų4418%0.18218%0.183CC..Hα-helixtrans-59.6-42.2177.8-173.5174179.100112.1L422 Y425 R572 Q573 D579 L580 V608L422-M576 HydrophobicContact CD2-CG 4.1Å; Y425-M576 HydrophobicContact CD2-CB 4.45Å; Y425-M576 HydrophobicContact CD2-CG 4.19Å; Y425-M576 HydrophobicContact CD2-SD 4.37Å; Y425-M576 HydrophobicContact CE2-CB 4.04Å; Y425-M576 HydrophobicContact CE2-CG 4.27Å; R572-M576 WeakPolarHBondContact O-CB 3.3Å; R572-M576 PolarHBondContact O-N 3.48Å; Q573-M576 WeakPolarHBondContact O-CB 3.48Å; Q573-M576 PolarHBondContact O-N 2.83Å; Q573-M576 VanDerWaalsContact O-N 3.1Å; M576-D579 PolarHBondContact O-N 3.14Å; M576-L580 HydrophobicContact CG-CD1 4.29Å; M576-L580 WeakPolarHBondContact O-CB 3.17Å; M576-L580 VanDerWaalsContact O-CG 3.27Å; M576-L580 WeakPolarHBondContact O-CG 3.28Å; M576-L580 PolarHBondContact O-N 2.91Å; M576-V608 HydrophobicContact CE-CG2 3.94Å; M576-V608 HydrophobicContact CG-CG2 4.07Å; M576-V608 HydrophobicContact SD-CG1 4.35Å; M576-V608 HydrophobicContact SD-CG2 3.85Å
577C95.3Very high91.7Very high2 Ų248.3 Ų48.31%0.01420%0.199CC..Hα-helixtrans-64.1-38.9174.4-62.90000112.1Q573 I574 R575 L580 K581Q573-C577 PolarHBondContact O-N 3.26Å; Q573-C577 PolarHBondContact O-SG 3.02Å; Q573-C577 VanDerWaalsContact O-SG 3.37Å; I574-C577 PolarHBondContact O-N 3.21Å; R575-C577 VanDerWaalsContact C-N 3.34Å; R575-C577 PolarHBondContact O-N 2.9Å; C577-L580 PolarHBondContact O-N 2.82Å; C577-K581 WeakPolarHBondContact O-CB 3.48Å; C577-K581 PolarHBondContact O-N 3.24Å
578K91.4Very high91.8Very high27 Ų2745.7 Ų45.712%0.11719%0.187CC..Hα-helixtrans-64.7-43.1173.5-74-166.1176.6-164.30112.5I574 R575 K581 H582 Y1522I574-K578 PolarHBondContact O-N 3.33Å; R575-K578 WeakPolarHBondContact O-CB 3.29Å; R575-K578 PolarHBondContact O-N 3.01Å; R575-K578 VanDerWaalsContact O-N 3.11Å; K578-K581 WeakPolarHBondContact O-CB 3.43Å; K578-K581 PolarHBondContact O-N 2.95Å; K578-H582 PolarHBondContact O-CD2 3.36Å; K578-H582 VanDerWaalsContact O-CD2 3.29Å; K578-H582 PolarHBondContact O-N 2.97Å; K578-H582 PolarHBondContact O-ND1 2.83Å; K578-Y1522 HydrophobicContact CD-CD2 4.21Å; K578-Y1522 HydrophobicContact CD-CE2 3.68Å; K578-Y1522 WeakPolarHBondContact CE-O 3.27Å; K578-Y1522 PolarHBondContact NZ-O 3.46Å
579D93.1Very high92.1Very high3 Ų339.6 Ų39.62%0.01617%0.166CC..Hα-helixtrans-62.1-45.3177.8-60.2-33.6000109.6K421 L422 R575 M576 H582 V583K421-D579 WeakPolarHBondContact CD-OD2 3.44Å; K421-D579 IonicContact NZ-OD1 3.1Å; L422-D579 HydrophobicContact CD1-CB 4.36Å; L422-D579 HydrophobicContact CD2-CB 4.11Å; L422-D579 HydrophobicContact CG-CB 4.03Å; R575-D579 PolarHBondContact O-N 3.02Å; R575-D579 VanDerWaalsContact O-OD2 3.13Å; M576-D579 PolarHBondContact O-N 3.14Å; D579-H582 PolarHBondContact O-N 2.96Å; D579-V583 WeakPolarHBondContact O-CG2 3.41Å; D579-V583 PolarHBondContact O-N 2.75Å
580L95.2Very high91.9Very high9 Ų935 Ų355%0.04715%0.152CC..Hα-helixtrans-60.6-43.8173.3-71.5169.6000112.3V399 L422 M576 C577 H582 V583 I584 P604 V608V399-L580 HydrophobicContact CG2-CD2 3.87Å; L422-L580 HydrophobicContact CD1-CD2 3.99Å; L422-L580 HydrophobicContact CD2-CD2 3.95Å; L422-L580 HydrophobicContact CD2-CG 4.01Å; M576-L580 HydrophobicContact CG-CD1 4.29Å; M576-L580 WeakPolarHBondContact O-CB 3.17Å; M576-L580 VanDerWaalsContact O-CG 3.27Å; M576-L580 WeakPolarHBondContact O-CG 3.28Å; M576-L580 PolarHBondContact O-N 2.91Å; C577-L580 PolarHBondContact O-N 2.82Å; L580-H582 VanDerWaalsContact C-N 3.26Å; L580-H582 PolarHBondContact O-N 2.77Å; L580-V583 PolarHBondContact O-N 2.95Å; L580-I584 HydrophobicContact CB-CD1 4.42Å; L580-I584 WeakPolarHBondContact O-CB 3.44Å; L580-I584 WeakPolarHBondContact O-CD1 3.16Å; L580-I584 VanDerWaalsContact O-CG1 3.23Å; L580-I584 WeakPolarHBondContact O-CG1 3.13Å; L580-I584 PolarHBondContact O-N 2.98Å; L580-P604 HydrophobicContact CD1-CB 3.97Å; L580-P604 HydrophobicContact CD2-CB 4.33Å; L580-V608 HydrophobicContact CD1-CG2 3.77Å
581K93.8Very high91.6Very high33 Ų3338.1 Ų38.114%0.14318%0.184CC..Hα-helixtrans-55.8-43.1175.5-175.5179.571.6167.80111.4H556 C577 K578 Y585H556-K581 PolarHBondContact CE1-NZ 2.9Å; H556-K581 PolarHBondContact NE2-NZ 3.19Å; C577-K581 WeakPolarHBondContact O-CB 3.48Å; C577-K581 PolarHBondContact O-N 3.24Å; K578-K581 WeakPolarHBondContact O-CB 3.43Å; K578-K581 PolarHBondContact O-N 2.95Å; K581-Y585 HydrophobicContact CD-CD2 4.35Å; K581-Y585 HydrophobicContact CD-CE1 4.27Å; K581-Y585 HydrophobicContact CD-CE2 3.76Å; K581-Y585 HydrophobicContact CG-CD1 3.84Å; K581-Y585 HydrophobicContact CG-CD2 3.95Å; K581-Y585 HydrophobicContact CG-CE1 3.59Å; K581-Y585 HydrophobicContact CG-CE2 3.73Å; K581-Y585 HydrophobicContact CG-CG 4.01Å; K581-Y585 VanDerWaalsContact O-CB 3.25Å; K581-Y585 WeakPolarHBondContact O-CB 3.35Å; K581-Y585 VanDerWaalsContact O-CD1 3.31Å; K581-Y585 WeakPolarHBondContact O-CD1 3.3Å; K581-Y585 VanDerWaalsContact O-CG 3.28Å; K581-Y585 PolarHBondContact O-N 2.75Å
582H92.6Very high91.6Very high25 Ų2542 Ų4212%0.11621%0.21CC..Hα-helixtrans-64.1-45.6178.7-58.4157.1000111.8K414 V415 S418 K578 D579 L580 Y586K414-H582 WeakPolarHBondContact CE-CE1 3.09Å; K414-H582 WeakPolarHBondContact CE-NE2 3.42Å; V415-H582 HydrophobicContact CG2-CB 4.35Å; S418-H582 PolarHBondContact OG-ND1 3.49Å; K578-H582 PolarHBondContact O-CD2 3.36Å; K578-H582 VanDerWaalsContact O-CD2 3.29Å; K578-H582 PolarHBondContact O-N 2.97Å; K578-H582 PolarHBondContact O-ND1 2.83Å; D579-H582 PolarHBondContact O-N 2.96Å; L580-H582 VanDerWaalsContact C-N 3.26Å; L580-H582 PolarHBondContact O-N 2.77Å; H582-Y586 WeakPolarHBondContact O-CD2 3.27Å; H582-Y586 PolarHBondContact O-N 3Å
583V93Very high91.5Very high1 Ų138.2 Ų38.21%0.00620%0.197CC..Hα-helixtrans-60.7-48.1177.5-179.60000110.8W402 Y419 L422 D579 L580 R587W402-V583 HydrophobicContact CB-CG1 4.32Å; W402-V583 HydrophobicContact CE3-CG1 3.87Å; Y419-V583 HydrophobicContact CD2-CG2 3.83Å; Y419-V583 HydrophobicContact CE2-CB 4.29Å; Y419-V583 HydrophobicContact CE2-CG1 4.02Å; Y419-V583 HydrophobicContact CE2-CG2 3.66Å; L422-V583 HydrophobicContact CD1-CG2 3.67Å; D579-V583 WeakPolarHBondContact O-CG2 3.41Å; D579-V583 PolarHBondContact O-N 2.75Å; L580-V583 PolarHBondContact O-N 2.95Å; V583-R587 PolarHBondContact O-N 3.23Å
584I94.3Very high91Very high1 Ų139.2 Ų39.21%0.00521%0.214CC..Hα-helixtrans-63.6-50.2-178.9-64.7159.8000110.8W121 V399 W402 L580 Y586 R587 F588 V599 F601 P604W121-I584 HydrophobicContact CZ3-CG2 4.17Å; V399-I584 HydrophobicContact CG1-CG1 4.38Å; W402-I584 HydrophobicContact CZ3-CG1 4.26Å; L580-I584 HydrophobicContact CB-CD1 4.42Å; L580-I584 WeakPolarHBondContact O-CB 3.44Å; L580-I584 WeakPolarHBondContact O-CD1 3.16Å; L580-I584 VanDerWaalsContact O-CG1 3.23Å; L580-I584 WeakPolarHBondContact O-CG1 3.13Å; L580-I584 PolarHBondContact O-N 2.98Å; I584-Y586 PolarHBondContact O-N 3.05Å; I584-R587 PolarHBondContact O-N 2.85Å; I584-F588 VanDerWaalsContact O-CB 3.23Å; I584-F588 WeakPolarHBondContact O-CB 3.34Å; I584-F588 PolarHBondContact O-N 2.97Å; I584-V599 HydrophobicContact CG2-CG1 4.13Å; I584-F601 HydrophobicContact CD1-CD1 4.12Å; I584-F601 HydrophobicContact CG1-CD1 4.23Å; I584-F601 HydrophobicContact CG2-CB 4.1Å; I584-F601 HydrophobicContact CG2-CD1 4.12Å; I584-P604 HydrophobicContact CD1-CB 4.07Å; I584-P604 HydrophobicContact CD1-CG 3.82Å
585Y93Very high90.6Very high42 Ų4248.2 Ų48.217%0.16525%0.253CS..Hα-helixtrans-66.4-37.5-172.3-77.520000112.5Q551 K581 R587 N589 V599Q551-Y585 HydrophobicContact CG-CE1 4.44Å; K581-Y585 HydrophobicContact CD-CD2 4.35Å; K581-Y585 HydrophobicContact CD-CE1 4.27Å; K581-Y585 HydrophobicContact CD-CE2 3.76Å; K581-Y585 HydrophobicContact CG-CD1 3.84Å; K581-Y585 HydrophobicContact CG-CD2 3.95Å; K581-Y585 HydrophobicContact CG-CE1 3.59Å; K581-Y585 HydrophobicContact CG-CE2 3.73Å; K581-Y585 HydrophobicContact CG-CG 4.01Å; K581-Y585 VanDerWaalsContact O-CB 3.25Å; K581-Y585 WeakPolarHBondContact O-CB 3.35Å; K581-Y585 VanDerWaalsContact O-CD1 3.31Å; K581-Y585 WeakPolarHBondContact O-CD1 3.3Å; K581-Y585 VanDerWaalsContact O-CG 3.28Å; K581-Y585 PolarHBondContact O-N 2.75Å; Y585-R587 VanDerWaalsContact C-N 3.32Å; Y585-N589 VanDerWaalsContact O-CB 3.27Å; Y585-N589 WeakPolarHBondContact O-CB 3.44Å; Y585-N589 VanDerWaalsContact O-CG 3.29Å; Y585-N589 PolarHBondContact O-N 3.44Å; Y585-N589 PolarHBondContact O-ND2 3.46Å; Y585-V599 HydrophobicContact CD1-CB 4.24Å; Y585-V599 HydrophobicContact CD1-CG1 3.8Å; Y585-V599 HydrophobicContact CD1-CG2 4.28Å; Y585-V599 HydrophobicContact CE1-CB 3.8Å; Y585-V599 HydrophobicContact CE1-CG1 3.64Å; Y585-V599 HydrophobicContact CE1-CG2 4.19Å
586Y91.2Very high90.2Very high82 Ų8244.6 Ų44.632%0.32225%0.25SS..Hα-helixtrans-76.7-19179.7-85.5-94.5000113.5M411 P412 V415 H582 I584 T590M411-Y586 HydrophobicContact SD-CD1 3.93Å; M411-Y586 HydrophobicContact SD-CG 4.3Å; P412-Y586 HydrophobicContact CG-CD1 4.32Å; P412-Y586 HydrophobicContact CG-CE1 3.49Å; P412-Y586 VanDerWaalsContact CG-CE1 3.49Å; P412-Y586 HydrophobicContact CG-CE2 4.43Å; P412-Y586 WeakPolarHBondContact CG-OH 3.27Å; V415-Y586 HydrophobicContact CG2-CD1 4.15Å; V415-Y586 HydrophobicContact CG2-CD2 3.33Å; V415-Y586 HydrophobicContact CG2-CE1 4.3Å; V415-Y586 HydrophobicContact CG2-CE2 3.49Å; V415-Y586 VanDerWaalsContact CG2-CE2 3.49Å; V415-Y586 HydrophobicContact CG2-CG 3.67Å; H582-Y586 WeakPolarHBondContact O-CD2 3.27Å; H582-Y586 PolarHBondContact O-N 3Å; I584-Y586 PolarHBondContact O-N 3.05Å; Y586-T590 PolarHBondContact O-OG1 3.13Å
587R90.5Very high89.7Confident124 Ų12445 Ų4547%0.46826%0.255SS..Hα-helixtrans-88.5-31.5170.4-171.567.1168.2179.1-2.3112.2W121 W402 V583 I584 Y585 T590W121-R587 HydrophobicContact CH2-CB 4.2Å; W121-R587 HydrophobicContact CH2-CG 4.19Å; W121-R587 HydrophobicContact CZ2-CB 4.37Å; W121-R587 HydrophobicContact CZ2-CG 4.01Å; W402-R587 HydrophobicContact CH2-CG 4.49Å; V583-R587 PolarHBondContact O-N 3.23Å; I584-R587 PolarHBondContact O-N 2.85Å; Y585-R587 VanDerWaalsContact C-N 3.32Å; R587-T590 PolarHBondContact O-OG1 3.14Å
588F92.6Very high89.4Confident0 Ų045.1 Ų45.10%026%0.257CS..Hα-helixtrans-77.5-47.5-179.6-168.7-82.5000112.2W121 M124 R125 K128 I584 T590 V593 V599W121-F588 AromaticContact CD2-CD2 3.96Å; W121-F588 HydrophobicContact CD2-CD2 3.96Å; W121-F588 HydrophobicContact CD2-CE2 4.41Å; W121-F588 AromaticContact CE3-CD2 3.75Å; W121-F588 HydrophobicContact CE3-CD2 3.75Å; W121-F588 HydrophobicContact CE3-CE2 4.32Å; W121-F588 HydrophobicContact CH2-CB 3.58Å; W121-F588 AromaticContact CH2-CD2 3.75Å; W121-F588 HydrophobicContact CH2-CD2 3.75Å; W121-F588 HydrophobicContact CH2-CG 4.16Å; W121-F588 HydrophobicContact CZ2-CB 3.92Å; W121-F588 AromaticContact CZ2-CD2 3.95Å; W121-F588 HydrophobicContact CZ2-CD2 3.95Å; W121-F588 HydrophobicContact CZ2-CG 4.34Å; W121-F588 HydrophobicContact CZ3-CB 4.2Å; W121-F588 AromaticContact CZ3-CD2 3.65Å; W121-F588 HydrophobicContact CZ3-CD2 3.65Å; W121-F588 HydrophobicContact CZ3-CG 4.43Å; M124-F588 VanDerWaalsContact C-CZ 3.49Å; M124-F588 HydrophobicContact CB-CE2 3.88Å; M124-F588 HydrophobicContact CB-CZ 3.6Å; R125-F588 HydrophobicContact CB-CZ 4.29Å; R125-F588 HydrophobicContact CG-CD1 4Å; R125-F588 HydrophobicContact CG-CD2 3.79Å; R125-F588 HydrophobicContact CG-CE1 3.75Å; R125-F588 HydrophobicContact CG-CE2 3.53Å; R125-F588 HydrophobicContact CG-CG 4.04Å; R125-F588 HydrophobicContact CG-CZ 3.53Å; R125-F588 PolarHBondContact NE-O 3.49Å; R125-F588 VanDerWaalsContact NE-O 3.17Å; K128-F588 HydrophobicContact CB-CE1 4.42Å; K128-F588 HydrophobicContact CD-CD1 4.47Å; K128-F588 HydrophobicContact CD-CE1 3.89Å; I584-F588 VanDerWaalsContact O-CB 3.23Å; I584-F588 WeakPolarHBondContact O-CB 3.34Å; I584-F588 PolarHBondContact O-N 2.97Å; F588-T590 PolarHBondContact O-N 3.14Å; F588-V593 HydrophobicContact CD1-CG1 4.33Å; F588-V593 HydrophobicContact CE1-CG1 4.35Å; F588-V599 HydrophobicContact CB-CG1 4.45Å; F588-V599 HydrophobicContact CD1-CB 4.49Å; F588-V599 HydrophobicContact CD1-CG1 4.25Å; F588-V599 HydrophobicContact CD1-CG2 3.79Å; F588-V599 HydrophobicContact CD2-CG1 4.21Å; F588-V599 HydrophobicContact CE1-CG2 4.01Å; F588-V599 HydrophobicContact CG-CG1 4.05Å; F588-V599 HydrophobicContact CG-CG2 4.37Å
589N90.1Very high89.4Confident38 Ų3843.8 Ų43.820%0.20325%0.251CS..SBendtrans-85.849.9179.4-51.7-31.1000110.8K128 Y585 V593K128-N589 PolarHBondContact NZ-OD1 3.26Å; Y585-N589 VanDerWaalsContact O-CB 3.27Å; Y585-N589 WeakPolarHBondContact O-CB 3.44Å; Y585-N589 VanDerWaalsContact O-CG 3.29Å; Y585-N589 PolarHBondContact O-N 3.44Å; Y585-N589 PolarHBondContact O-ND2 3.46Å; N589-V593 CarbonylContact C-O 3.47Å
590T85.6Confident89.3Confident67 Ų6743.7 Ų43.741%0.41125%0.251SS..  trans-113.5144.4176-44.80000108.7R125 Y586 R587 F588R125-T590 PolarHBondContact NH2-O 3.46Å; Y586-T590 PolarHBondContact O-OG1 3.13Å; R587-T590 PolarHBondContact O-OG1 3.14Å; F588-T590 PolarHBondContact O-N 3.14Å
591G84Confident89.4Confident66 Ų6643.3 Ų43.368%0.6825%0.249SC*.THydrogen-bonded Turntrans79.2-134.6-174.500000111.9V593G591-V593 PolarHBondContact O-N 3.33Å
592P87.2Confident89.5Confident98 Ų9841.8 Ų41.864%0.63624%0.242SC*.THydrogen-bonded Turntrans-73.9-9.7-175.329.9-35.5000114.3R129 G594R129-P592 HydrophobicContact CG-CB 4.22Å; R129-P592 HydrophobicContact CG-CG 4.39Å; P592-G594 PolarHBondContact O-N 3.35Å
593V87.9Confident89.6Confident7 Ų740.7 Ų40.74%0.04224%0.237CC..  trans-81.7112.7-177.3-178.50000110.9R125 K128 R129 F588 N589 G591R125-V593 HydrophobicContact CB-CG2 4.24Å; R125-V593 WeakPolarHBondContact O-CG2 3.07Å; K128-V593 HydrophobicContact CB-CG1 4.26Å; K128-V593 HydrophobicContact CD-CG1 3.6Å; K128-V593 HydrophobicContact CG-CG1 3.9Å; R129-V593 HydrophobicContact CB-CG2 4.28Å; F588-V593 HydrophobicContact CD1-CG1 4.33Å; F588-V593 HydrophobicContact CE1-CG1 4.35Å; N589-V593 CarbonylContact C-O 3.47Å; G591-V593 PolarHBondContact O-N 3.33Å
594G84.3Confident89.7Confident46 Ų4640.8 Ų40.847%0.47424%0.238SC..  trans-74177.4-179.500000116.3K128 P592 G596K128-G594 VanDerWaalsContact CE-O 3.24Å; K128-G594 WeakPolarHBondContact CE-O 3.48Å; K128-G594 PolarHBondContact NZ-O 3.35Å; P592-G594 PolarHBondContact O-N 3.35Å; G594-G596 PolarHBondContact O-N 3.01Å
595K83.5Confident89.7Confident194 Ų19440.9 Ų40.984%0.84324%0.239SC*.SBendtrans-75.3122.8170-68.8177.4-174.5166.30109.3
596G80.6Confident89.9Confident35 Ų3538.9 Ų38.936%0.36123%0.231SC..SBendtrans175.3174.7179.700000112.4K128 G594K128-G596 PolarHBondContact NZ-O 3.41Å; G594-G596 PolarHBondContact O-N 3.01Å
597P85.6Confident90.1Very high45 Ų4537 Ų3729%0.29222%0.223SC..SBendtrans-55.6169.9162.1-20.634.4000112.4K128 F134 R136K128-P597 WeakPolarHBondContact CD-O 3.34Å; K128-P597 WeakPolarHBondContact CE-O 3.37Å; F134-P597 HydrophobicContact CB-CB 4.46Å; F134-P597 HydrophobicContact CD1-CB 3.73Å; F134-P597 HydrophobicContact CE1-CB 4.48Å; F134-P597 HydrophobicContact CG-CB 4.43Å; R136-P597 HydrophobicContact CB-CB 4.33Å
598G87.2Confident90.4Very high4 Ų431.6 Ų31.64%0.04120%0.204CC..  trans102.523.6179.400000114.4D548D548-G598 PolarHBondContact OD1-N 3.49Å
599V92.5Very high90.6Very high0 Ų031.8 Ų31.80%021%0.205CC..  trans-104.296.1174.4-175.10000108.6K128 D548 Q551 I584 Y585 F588 F601K128-V599 HydrophobicContact CD-CG2 4.44Å; D548-V599 PolarHBondContact OD1-N 3.09Å; Q551-V599 WeakPolarHBondContact CB-O 3.5Å; Q551-V599 VanDerWaalsContact CG-O 3.27Å; Q551-V599 WeakPolarHBondContact CG-O 3.44Å; I584-V599 HydrophobicContact CG2-CG1 4.13Å; Y585-V599 HydrophobicContact CD1-CB 4.24Å; Y585-V599 HydrophobicContact CD1-CG1 3.8Å; Y585-V599 HydrophobicContact CD1-CG2 4.28Å; Y585-V599 HydrophobicContact CE1-CB 3.8Å; Y585-V599 HydrophobicContact CE1-CG1 3.64Å; Y585-V599 HydrophobicContact CE1-CG2 4.19Å; F588-V599 HydrophobicContact CB-CG1 4.45Å; F588-V599 HydrophobicContact CD1-CB 4.49Å; F588-V599 HydrophobicContact CD1-CG1 4.25Å; F588-V599 HydrophobicContact CD1-CG2 3.79Å; F588-V599 HydrophobicContact CD2-CG1 4.21Å; F588-V599 HydrophobicContact CE1-CG2 4.01Å; F588-V599 HydrophobicContact CG-CG1 4.05Å; F588-V599 HydrophobicContact CG-CG2 4.37Å; V599-F601 PolarHBondContact O-N 3.4Å
600G91.6Very high90.8Very high1 Ų130.1 Ų30.11%0.0120%0.196CC..  trans-87.614.1-174.500000116.8M124 A547 W602M124-G600 VanDerWaalsContact SD-C 3.51Å; M124-G600 VanDerWaalsContact SD-CA 3.51Å; A547-G600 VanDerWaalsContact C-CA 3.49Å; G600-W602 PolarHBondContact O-N 2.98Å
601F95.4Very high91.3Very high0 Ų031 Ų310%019%0.194CC..  trans-86.972.1-170.8-163.5-101.4000113.7W117 W121 L217 L398 V399 Q551 I584 V599 P604W117-F601 HydrophobicContact CB-CE2 4.33Å; W117-F601 HydrophobicContact CD2-CE2 4.21Å; W117-F601 AromaticContact CE3-CD2 3.61Å; W117-F601 HydrophobicContact CE3-CD2 3.61Å; W117-F601 AromaticContact CE3-CE2 3.52Å; W117-F601 HydrophobicContact CE3-CE2 3.52Å; W117-F601 HydrophobicContact CE3-CZ 4.47Å; W117-F601 AromaticContact CZ3-CD2 3.9Å; W117-F601 HydrophobicContact CZ3-CD2 3.9Å; W117-F601 HydrophobicContact CZ3-CE2 4.23Å; W121-F601 AromaticContact CE3-CD2 3.89Å; W121-F601 HydrophobicContact CE3-CD2 3.89Å; W121-F601 HydrophobicContact CE3-CE2 4.18Å; W121-F601 HydrophobicContact CE3-CG 4.1Å; W121-F601 HydrophobicContact CZ3-CD1 4.37Å; W121-F601 HydrophobicContact CZ3-CD2 4.43Å; W121-F601 HydrophobicContact CZ3-CG 4.19Å; L217-F601 HydrophobicContact CD2-CE2 4.25Å; L217-F601 HydrophobicContact CD2-CZ 4.18Å; L398-F601 HydrophobicContact CB-CZ 3.99Å; L398-F601 HydrophobicContact CD1-CE1 4.44Å; L398-F601 HydrophobicContact CD1-CE2 4.13Å; L398-F601 HydrophobicContact CD1-CZ 3.61Å; L398-F601 HydrophobicContact CG-CZ 4.45Å; V399-F601 HydrophobicContact CG1-CD1 4.48Å; V399-F601 HydrophobicContact CG1-CE1 3.56Å; V399-F601 HydrophobicContact CG1-CZ 4.27Å; Q551-F601 VanDerWaalsContact CD-O 3.3Å; Q551-F601 PolarHBondContact NE2-O 2.88Å; Q551-F601 PolarHBondContact OE1-O 3.41Å; I584-F601 HydrophobicContact CD1-CD1 4.12Å; I584-F601 HydrophobicContact CG1-CD1 4.23Å; I584-F601 HydrophobicContact CG2-CB 4.1Å; I584-F601 HydrophobicContact CG2-CD1 4.12Å; V599-F601 PolarHBondContact O-N 3.4Å; F601-P604 HydrophobicContact CD1-CG 3.97Å; F601-P604 HydrophobicContact CE1-CG 3.64Å
602W96.1Very high91.8Very high2 Ų228.4 Ų28.41%0.00816%0.164CC..  trans-85.5-15-168.756.3-103.2000117M79 M81 P82 W117 L550 Q551 F554 G600 G605 W606M79-W602 HydrophobicContact CE-CD2 3.88Å; M79-W602 HydrophobicContact CE-CE3 3.55Å; M79-W602 HydrophobicContact CE-CH2 3.2Å; M79-W602 HydrophobicContact CE-CZ2 3.51Å; M79-W602 HydrophobicContact CE-CZ3 3.22Å; M81-W602 HydrophobicContact CE-CH2 4.19Å; M81-W602 HydrophobicContact SD-CH2 3.62Å; M81-W602 HydrophobicContact SD-CZ2 4.26Å; M81-W602 HydrophobicContact SD-CZ3 4.48Å; P82-W602 HydrophobicContact CG-CZ2 3.91Å; W117-W602 AromaticContact CH2-CD2 3.99Å; W117-W602 HydrophobicContact CH2-CD2 3.99Å; W117-W602 AromaticContact CH2-CE2 3.74Å; W117-W602 HydrophobicContact CH2-CE3 4.43Å; W117-W602 HydrophobicContact CH2-CG 4.4Å; W117-W602 HydrophobicContact CH2-CH2 4.42Å; W117-W602 HydrophobicContact CH2-CZ2 4Å; W117-W602 AromaticContact CH2-NE1 3.99Å; W117-W602 HydrophobicContact CZ2-CH2 4.16Å; W117-W602 HydrophobicContact CZ2-CZ2 4.1Å; W117-W602 HydrophobicContact CZ2-CZ3 4.41Å; L550-W602 HydrophobicContact CB-CB 4.23Å; L550-W602 HydrophobicContact CB-CG 3.97Å; Q551-W602 HydrophobicContact CB-CB 3.97Å; Q551-W602 VanDerWaalsContact OE1-CA 3.28Å; F554-W602 HydrophobicContact CD2-CB 4.22Å; F554-W602 HydrophobicContact CE2-CE3 4.43Å; G600-W602 PolarHBondContact O-N 2.98Å; W602-G605 PolarHBondContact O-N 3.03Å; W602-G605 VanDerWaalsContact O-N 3.09Å; W602-W606 HydrophobicContact CE3-CB 3.63Å; W602-W606 HydrophobicContact CE3-CD2 4.38Å; W602-W606 AromaticContact CE3-CG 3.96Å; W602-W606 HydrophobicContact CE3-CG 3.96Å; W602-W606 HydrophobicContact CZ3-CB 3.94Å; W602-W606 AromaticContact CZ3-CD2 3.76Å; W602-W606 HydrophobicContact CZ3-CD2 3.76Å; W602-W606 HydrophobicContact CZ3-CE3 4.02Å; W602-W606 AromaticContact CZ3-CG 3.73Å; W602-W606 HydrophobicContact CZ3-CG 3.73Å; W602-W606 WeakPolarHBondContact O-CB 3.36Å; W602-W606 PolarHBondContact O-N 2.87Å
603A94.4Very high92.2Very high1 Ų124 Ų241%0.00814%0.135CC..Hα-helixtrans-51.6-43.1-175.200000114.4W117 L398 G605 R607W117-A603 HydrophobicContact CD2-CB 4.41Å; W117-A603 HydrophobicContact CH2-CB 3.95Å; W117-A603 HydrophobicContact CZ2-CB 3.66Å; W117-A603 HydrophobicContact CZ3-CB 4.45Å; L398-A603 HydrophobicContact CD1-CB 3.86Å; A603-G605 PolarHBondContact O-N 3.4Å; A603-R607 WeakPolarHBondContact O-CG 3.17Å; A603-R607 PolarHBondContact O-N 3.38Å; A603-R607 VanDerWaalsContact O-N 3.1Å
604P95.3Very high92.4Very high4 Ų431.5 Ų31.53%0.02616%0.163CC..Hα-helixtrans-63.6-41178.2-25.837.9000113.8V399 L580 I584 F601 V608V399-P604 HydrophobicContact CG1-CG 3.87Å; V399-P604 HydrophobicContact CG2-CB 4.08Å; V399-P604 HydrophobicContact CG2-CG 3.9Å; L580-P604 HydrophobicContact CD1-CB 3.97Å; L580-P604 HydrophobicContact CD2-CB 4.33Å; I584-P604 HydrophobicContact CD1-CB 4.07Å; I584-P604 HydrophobicContact CD1-CG 3.82Å; F601-P604 HydrophobicContact CD1-CG 3.97Å; F601-P604 HydrophobicContact CE1-CG 3.64Å; P604-V608 WeakPolarHBondContact O-CG2 3.48Å; P604-V608 PolarHBondContact O-N 3.31Å
605G94.7Very high92.7Very high2 Ų232.1 Ų32.12%0.02117%0.169CC..Hα-helixtrans-68.5-45178.300000112W602 A603 R607 V608 W609W602-G605 PolarHBondContact O-N 3.03Å; W602-G605 VanDerWaalsContact O-N 3.09Å; A603-G605 PolarHBondContact O-N 3.4Å; G605-R607 VanDerWaalsContact C-N 3.35Å; G605-R607 PolarHBondContact O-N 3.32Å; G605-V608 PolarHBondContact O-N 3.48Å; G605-W609 PolarHBondContact O-N 3.24Å
606W97Very high93.3Very high1 Ų123 Ų230%0.00413%0.129CC..Hα-helixtrans-54-47.8175.3168.474.3000112.4L76 E77 M81 A393 I394 F554 W602 V608 W609 L610L76-W606 PolarHBondContact O-NE1 2.67Å; E77-W606 WeakPolarHBondContact O-CZ2 3.16Å; M81-W606 HydrophobicContact CE-CH2 4.06Å; M81-W606 HydrophobicContact CE-CZ2 4.4Å; M81-W606 HydrophobicContact CE-CZ3 4.49Å; A393-W606 HydrophobicContact CB-CH2 3.82Å; A393-W606 HydrophobicContact CB-CZ3 4.2Å; I394-W606 HydrophobicContact CG1-CH2 3.76Å; I394-W606 HydrophobicContact CG1-CZ2 4.21Å; I394-W606 HydrophobicContact CG1-CZ3 4.29Å; F554-W606 HydrophobicContact CD2-CB 4.06Å; F554-W606 HydrophobicContact CE2-CB 3.85Å; F554-W606 HydrophobicContact CE2-CG 4.41Å; F554-W606 HydrophobicContact CZ-CB 4.08Å; F554-W606 AromaticContact CZ-CD1 3.71Å; F554-W606 HydrophobicContact CZ-CG 4.32Å; W602-W606 HydrophobicContact CE3-CB 3.63Å; W602-W606 HydrophobicContact CE3-CD2 4.38Å; W602-W606 AromaticContact CE3-CG 3.96Å; W602-W606 HydrophobicContact CE3-CG 3.96Å; W602-W606 HydrophobicContact CZ3-CB 3.94Å; W602-W606 AromaticContact CZ3-CD2 3.76Å; W602-W606 HydrophobicContact CZ3-CD2 3.76Å; W602-W606 HydrophobicContact CZ3-CE3 4.02Å; W602-W606 AromaticContact CZ3-CG 3.73Å; W602-W606 HydrophobicContact CZ3-CG 3.73Å; W602-W606 WeakPolarHBondContact O-CB 3.36Å; W602-W606 PolarHBondContact O-N 2.87Å; W606-V608 VanDerWaalsContact C-N 3.34Å; W606-V608 PolarHBondContact O-N 3.06Å; W606-W609 PolarHBondContact O-N 3.27Å; W606-W609 VanDerWaalsContact O-N 3.14Å; W606-L610 HydrophobicContact CD2-CD1 3.83Å; W606-L610 HydrophobicContact CE3-CD1 4.49Å; W606-L610 HydrophobicContact CG-CD1 4.32Å; W606-L610 HydrophobicContact CH2-CD1 4.05Å; W606-L610 HydrophobicContact CZ2-CD1 3.32Å; W606-L610 PolarHBondContact O-N 3.44Å
607R96.2Very high93.9Very high41 Ų4121.4 Ų21.416%0.15511%0.112CC..Hα-helixtrans-58.2-42.4177.6-69.5172.472.2-1261112.8I394 I396 P397 A603 G605 W609 L610 F611I394-R607 HydrophobicContact CG2-CB 4.37Å; I394-R607 HydrophobicContact CG2-CG 4.15Å; I394-R607 VanDerWaalsContact O-CZ 3.27Å; I394-R607 PolarHBondContact O-NE 3.34Å; I394-R607 PolarHBondContact O-NH2 2.92Å; I396-R607 PolarHBondContact O-NE 2.98Å; P397-R607 VanDerWaalsContact CA-NH1 3.28Å; P397-R607 VanDerWaalsContact CB-NH1 3.29Å; A603-R607 WeakPolarHBondContact O-CG 3.17Å; A603-R607 PolarHBondContact O-N 3.38Å; A603-R607 VanDerWaalsContact O-N 3.1Å; G605-R607 VanDerWaalsContact C-N 3.35Å; G605-R607 PolarHBondContact O-N 3.32Å; R607-W609 VanDerWaalsContact C-N 3.3Å; R607-W609 PolarHBondContact O-N 3.43Å; R607-L610 PolarHBondContact O-N 3.47Å; R607-F611 HydrophobicContact CB-CE2 4.26Å; R607-F611 WeakPolarHBondContact O-CD2 3.4Å; R607-F611 WeakPolarHBondContact O-CG 3.5Å; R607-F611 PolarHBondContact O-N 2.95Å
608V96Very high94.3Very high11 Ų1123 Ų237%0.06712%0.123CC..Hα-helixtrans-60.2-41.8178.5173.90000111Q573 M576 L580 P604 G605 W606 F612Q573-V608 HydrophobicContact CB-CG1 3.82Å; Q573-V608 HydrophobicContact CG-CG1 3.79Å; M576-V608 HydrophobicContact CE-CG2 3.94Å; M576-V608 HydrophobicContact CG-CG2 4.07Å; M576-V608 HydrophobicContact SD-CG1 4.35Å; M576-V608 HydrophobicContact SD-CG2 3.85Å; L580-V608 HydrophobicContact CD1-CG2 3.77Å; P604-V608 WeakPolarHBondContact O-CG2 3.48Å; P604-V608 PolarHBondContact O-N 3.31Å; G605-V608 PolarHBondContact O-N 3.48Å; W606-V608 VanDerWaalsContact C-N 3.34Å; W606-V608 PolarHBondContact O-N 3.06Å; V608-F612 PolarHBondContact O-N 3.27Å
609W96.6Very high94.5Very high5 Ų524.2 Ų24.22%0.01913%0.128CC..Hα-helixtrans-74.3-34.4179.9-71.9108.9000113.2L525 F554 V557 M563 L570 Q573 I574 G605 W606 R607 F612 M613L525-W609 HydrophobicContact CD2-CE3 4.42Å; F554-W609 HydrophobicContact CD1-CB 4.29Å; F554-W609 AromaticContact CD1-CD1 3.52Å; F554-W609 HydrophobicContact CD1-CG 4.12Å; F554-W609 HydrophobicContact CE1-CB 4.5Å; F554-W609 PolarHBondContact O-NE1 2.86Å; V557-W609 HydrophobicContact CB-CH2 3.77Å; V557-W609 HydrophobicContact CB-CZ2 3.33Å; V557-W609 HydrophobicContact CG1-CH2 3.5Å; V557-W609 VanDerWaalsContact CG1-CH2 3.5Å; V557-W609 HydrophobicContact CG1-CZ2 3.62Å; V557-W609 HydrophobicContact CG1-CZ3 3.99Å; V557-W609 HydrophobicContact CG2-CD2 4.11Å; V557-W609 HydrophobicContact CG2-CH2 4.24Å; V557-W609 HydrophobicContact CG2-CZ2 3.5Å; M563-W609 HydrophobicContact CE-CZ3 4.39Å; M563-W609 HydrophobicContact SD-CZ3 4.15Å; L570-W609 HydrophobicContact CD2-CZ3 4.25Å; Q573-W609 HydrophobicContact CB-CH2 4.27Å; Q573-W609 HydrophobicContact CB-CZ2 4.44Å; I574-W609 HydrophobicContact CG1-CH2 3.92Å; I574-W609 HydrophobicContact CG1-CZ2 4.01Å; G605-W609 PolarHBondContact O-N 3.24Å; W606-W609 PolarHBondContact O-N 3.27Å; W606-W609 VanDerWaalsContact O-N 3.14Å; R607-W609 VanDerWaalsContact C-N 3.3Å; R607-W609 PolarHBondContact O-N 3.43Å; W609-F612 HydrophobicContact CE3-CB 4.32Å; W609-F612 AromaticContact CE3-CD1 3.81Å; W609-F612 HydrophobicContact CE3-CD1 3.81Å; W609-F612 HydrophobicContact CE3-CG 4.19Å; W609-F612 HydrophobicContact CZ3-CD1 4.07Å; W609-F612 HydrophobicContact CZ3-CE1 4.48Å; W609-F612 HydrophobicContact CZ3-CG 4.35Å; W609-F612 WeakPolarHBondContact O-CB 3.42Å; W609-F612 PolarHBondContact O-N 3.37Å; W609-M613 WeakPolarHBondContact O-CG 3Å; W609-M613 PolarHBondContact O-N 2.97Å
610L95.9Very high94.6Very high3 Ų324.2 Ų24.22%0.01613%0.128CC..Hα-helixtrans-66.2-40.8171.7-70.9-177.9000112.7L73 L76 E77 I394 W606 R607 F612 M613 R614L73-L610 HydrophobicContact CD1-CD2 4.19Å; L76-L610 HydrophobicContact CB-CD2 3.68Å; E77-L610 HydrophobicContact CB-CD1 4.38Å; E77-L610 HydrophobicContact CB-CD2 4.37Å; I394-L610 HydrophobicContact CD1-CB 4.25Å; I394-L610 HydrophobicContact CD1-CD1 3.52Å; I394-L610 HydrophobicContact CD1-CG 4.49Å; I394-L610 HydrophobicContact CG1-CD1 3.62Å; I394-L610 HydrophobicContact CG2-CB 4.33Å; I394-L610 HydrophobicContact CG2-CD1 4.39Å; W606-L610 HydrophobicContact CD2-CD1 3.83Å; W606-L610 HydrophobicContact CE3-CD1 4.49Å; W606-L610 HydrophobicContact CG-CD1 4.32Å; W606-L610 HydrophobicContact CH2-CD1 4.05Å; W606-L610 HydrophobicContact CZ2-CD1 3.32Å; W606-L610 PolarHBondContact O-N 3.44Å; R607-L610 PolarHBondContact O-N 3.47Å; L610-F612 VanDerWaalsContact C-N 3.26Å; L610-F612 PolarHBondContact O-N 2.63Å; L610-M613 PolarHBondContact O-N 3.41Å; L610-M613 VanDerWaalsContact O-N 3.16Å; L610-R614 PolarHBondContact O-N 2.93Å
611F94.8Very high94.7Very high84 Ų8425.9 Ų25.937%0.36814%0.136SC..Hα-helixtrans-65.6-31172.9-67.9-46.8000112.6I394 R607 G615I394-F611 HydrophobicContact CG2-CD1 4.34Å; I394-F611 HydrophobicContact CG2-CE1 3.72Å; I394-F611 HydrophobicContact CG2-CE2 4.08Å; I394-F611 HydrophobicContact CG2-CZ 3.57Å; R607-F611 HydrophobicContact CB-CE2 4.26Å; R607-F611 WeakPolarHBondContact O-CD2 3.4Å; R607-F611 WeakPolarHBondContact O-CG 3.5Å; R607-F611 PolarHBondContact O-N 2.95Å; F611-G615 PolarHBondContact O-N 3.45Å
612F94.9Very high94.6Very high13 Ų1333 Ų336%0.05716%0.163CC..Hα-helixtrans-64.8-47.2169.1164.1-100.2000111.8M563 L570 Q573 V608 W609 L610 R614 G615 I616M563-F612 HydrophobicContact CE-CD1 4.4Å; M563-F612 HydrophobicContact CE-CE1 3.46Å; M563-F612 VanDerWaalsContact CE-CE1 3.46Å; M563-F612 HydrophobicContact CE-CZ 3.89Å; L570-F612 HydrophobicContact CD1-CD2 4.11Å; L570-F612 HydrophobicContact CD1-CE2 3.23Å; L570-F612 HydrophobicContact CD1-CZ 3.68Å; L570-F612 HydrophobicContact CD2-CE1 4.48Å; L570-F612 HydrophobicContact CD2-CE2 4.14Å; L570-F612 HydrophobicContact CD2-CZ 3.9Å; L570-F612 HydrophobicContact CG-CD2 4.15Å; L570-F612 HydrophobicContact CG-CE2 3.61Å; L570-F612 HydrophobicContact CG-CZ 3.91Å; Q573-F612 HydrophobicContact CG-CB 4.07Å; V608-F612 PolarHBondContact O-N 3.27Å; W609-F612 HydrophobicContact CE3-CB 4.32Å; W609-F612 AromaticContact CE3-CD1 3.81Å; W609-F612 HydrophobicContact CE3-CD1 3.81Å; W609-F612 HydrophobicContact CE3-CG 4.19Å; W609-F612 HydrophobicContact CZ3-CD1 4.07Å; W609-F612 HydrophobicContact CZ3-CE1 4.48Å; W609-F612 HydrophobicContact CZ3-CG 4.35Å; W609-F612 WeakPolarHBondContact O-CB 3.42Å; W609-F612 PolarHBondContact O-N 3.37Å; L610-F612 VanDerWaalsContact C-N 3.26Å; L610-F612 PolarHBondContact O-N 2.63Å; F612-R614 VanDerWaalsContact C-N 3.33Å; F612-R614 PolarHBondContact O-N 3.34Å; F612-G615 CarbonylContact O-C 3.58Å; F612-G615 PolarHBondContact O-N 2.93Å; F612-I616 HydrophobicContact CE1-CB 4.21Å; F612-I616 HydrophobicContact CE1-CG2 3.93Å; F612-I616 HydrophobicContact CE2-CB 3.91Å; F612-I616 HydrophobicContact CE2-CD1 4.05Å; F612-I616 HydrophobicContact CE2-CG1 4.1Å; F612-I616 HydrophobicContact CZ-CB 3.73Å; F612-I616 HydrophobicContact CZ-CD1 4.1Å; F612-I616 HydrophobicContact CZ-CG1 3.74Å; F612-I616 HydrophobicContact CZ-CG2 3.95Å; F612-I616 PolarHBondContact O-N 3.33Å
613M94.9Very high94.7Very high6 Ų636.4 Ų36.43%0.0318%0.176CC..Hα-helixtrans-59.6-44.2178.5-74.1-57.4-63.100111.2P69 V72 L73 I522 W609 L610 G615 I616 T617P69-M613 WeakPolarHBondContact O-CE 3.21Å; V72-M613 HydrophobicContact CB-CE 4.03Å; V72-M613 HydrophobicContact CG1-CE 3.79Å; L73-M613 HydrophobicContact CB-CB 4.26Å; L73-M613 HydrophobicContact CD1-CB 3.66Å; L73-M613 HydrophobicContact CG-CB 4.48Å; I522-M613 HydrophobicContact CD1-SD 4.23Å; I522-M613 HydrophobicContact CG1-SD 4.36Å; I522-M613 HydrophobicContact CG2-CE 3.91Å; I522-M613 HydrophobicContact CG2-SD 4.05Å; W609-M613 WeakPolarHBondContact O-CG 3Å; W609-M613 PolarHBondContact O-N 2.97Å; L610-M613 PolarHBondContact O-N 3.41Å; L610-M613 VanDerWaalsContact O-N 3.16Å; M613-G615 PolarHBondContact O-N 3.19Å; M613-G615 VanDerWaalsContact O-N 3.15Å; M613-I616 HydrophobicContact CE-CG2 4.23Å; M613-I616 PolarHBondContact O-N 3.32Å; M613-I616 VanDerWaalsContact O-N 3.12Å; M613-I616 HydrophobicContact SD-CG2 3.79Å; M613-T617 WeakPolarHBondContact O-CB 3.48Å; M613-T617 PolarHBondContact O-N 3.19Å; M613-T617 PolarHBondContact O-OG1 3.25Å
614R92.8Very high94.7Very high164 Ų16436.4 Ų36.462%0.61918%0.175SC*.Hα-helixtrans-51.9-39.6172.5-174.5-177.7178.9-176.41.8113L610 F612L610-R614 PolarHBondContact O-N 2.93Å; F612-R614 VanDerWaalsContact C-N 3.33Å; F612-R614 PolarHBondContact O-N 3.34Å
615G91.6Very high94.6Very high58 Ų5837.1 Ų37.160%0.59818%0.183SC*.Hα-helixtrans-85.1-24179.900000115.2F611 F612 M613F611-G615 PolarHBondContact O-N 3.45Å; F612-G615 CarbonylContact O-C 3.58Å; F612-G615 PolarHBondContact O-N 2.93Å; M613-G615 PolarHBondContact O-N 3.19Å; M613-G615 VanDerWaalsContact O-N 3.15Å
616I94.4Very high94.5Very high2 Ų241.7 Ų41.71%0.0121%0.207CC..Hα-helixtrans-89.5-29.4-177.6-157.565.9000113L518 I522 K567 F612 M613 L619 L620L518-I616 HydrophobicContact CD2-CD1 3.97Å; L518-I616 HydrophobicContact CD2-CG1 4.17Å; I522-I616 HydrophobicContact CD1-CG2 4.23Å; K567-I616 HydrophobicContact CD-CD1 3.38Å; K567-I616 VanDerWaalsContact CE-CD1 3.46Å; F612-I616 HydrophobicContact CE1-CB 4.21Å; F612-I616 HydrophobicContact CE1-CG2 3.93Å; F612-I616 HydrophobicContact CE2-CB 3.91Å; F612-I616 HydrophobicContact CE2-CD1 4.05Å; F612-I616 HydrophobicContact CE2-CG1 4.1Å; F612-I616 HydrophobicContact CZ-CB 3.73Å; F612-I616 HydrophobicContact CZ-CD1 4.1Å; F612-I616 HydrophobicContact CZ-CG1 3.74Å; F612-I616 HydrophobicContact CZ-CG2 3.95Å; F612-I616 PolarHBondContact O-N 3.33Å; M613-I616 HydrophobicContact CE-CG2 4.23Å; M613-I616 PolarHBondContact O-N 3.32Å; M613-I616 VanDerWaalsContact O-N 3.12Å; M613-I616 HydrophobicContact SD-CG2 3.79Å; I616-L619 HydrophobicContact CD1-CB 4.44Å; I616-L619 HydrophobicContact CD1-CD2 3.87Å; I616-L619 WeakPolarHBondContact O-CA 2.82Å; I616-L619 WeakPolarHBondContact O-CB 3.43Å; I616-L619 PolarHBondContact O-N 2.97Å; I616-L620 HydrophobicContact CG1-CD1 3.96Å; I616-L620 HydrophobicContact CG1-CG 4.12Å; I616-L620 HydrophobicContact CG2-CD1 4.44Å; I616-L620 PolarHBondContact O-N 2.87Å
617T94.3Very high94.3Very high2 Ų242.2 Ų42.21%0.01221%0.21CC..Hα-helixtrans-55.1-50.7-174.9-68.10000112.5P69 H70 M613 L619 L620 E621P69-T617 HydrophobicContact CB-CG2 4.21Å; P69-T617 PolarHBondContact O-OG1 3.01Å; H70-T617 HydrophobicContact CB-CG2 4.27Å; H70-T617 WeakPolarHBondContact CE1-CG2 3.48Å; H70-T617 WeakPolarHBondContact ND1-CG2 3.29Å; H70-T617 WeakPolarHBondContact NE2-CG2 3.23Å; M613-T617 WeakPolarHBondContact O-CB 3.48Å; M613-T617 PolarHBondContact O-N 3.19Å; M613-T617 PolarHBondContact O-OG1 3.25Å; T617-L619 PolarHBondContact O-N 3.41Å; T617-L620 PolarHBondContact O-N 3.19Å; T617-E621 WeakPolarHBondContact O-CG 3.32Å; T617-E621 PolarHBondContact O-N 2.94Å
618P93.3Very high94.2Very high79 Ų7940.8 Ų40.851%0.51321%0.206SC..Hα-helixtrans-61.6-30.5176.7-22.433.5000113.9R622P618-R622 PolarHBondContact O-N 3.01Å
619L92.6Very high94Very high30 Ų3042 Ų4216%0.15722%0.215CC..Hα-helixtrans-72.1-44.7179.5-177.863.2000111.4K567 I616 T617 R622 W623K567-L619 VanDerWaalsContact NZ-CD2 3.3Å; I616-L619 HydrophobicContact CD1-CB 4.44Å; I616-L619 HydrophobicContact CD1-CD2 3.87Å; I616-L619 WeakPolarHBondContact O-CA 2.82Å; I616-L619 WeakPolarHBondContact O-CB 3.43Å; I616-L619 PolarHBondContact O-N 2.97Å; T617-L619 PolarHBondContact O-N 3.41Å; L619-R622 PolarHBondContact O-N 3.41Å; L619-W623 HydrophobicContact CD1-CD2 4.22Å; L619-W623 HydrophobicContact CD1-CZ2 3.8Å; L619-W623 HydrophobicContact CD2-CH2 3.91Å; L619-W623 HydrophobicContact CD2-CZ2 3.86Å; L619-W623 HydrophobicContact CD2-CZ3 4.33Å; L619-W623 HydrophobicContact CG-CD2 4.06Å; L619-W623 HydrophobicContact CG-CE3 4.43Å; L619-W623 HydrophobicContact CG-CH2 4.34Å; L619-W623 HydrophobicContact CG-CZ2 3.96Å; L619-W623 WeakPolarHBondContact O-CB 3.16Å; L619-W623 VanDerWaalsContact O-CG 3.31Å; L619-W623 PolarHBondContact O-N 3.49Å
620L94.2Very high93.7Very high0 Ų047 Ų470%023%0.234CC..Hα-helixtrans-72-37-179.9-80.7175.9000112.2P69 L518 I522 I616 T617 R622 W623 L624P69-L620 HydrophobicContact CB-CB 4.3Å; P69-L620 HydrophobicContact CB-CD1 4.35Å; P69-L620 HydrophobicContact CG-CB 3.63Å; P69-L620 HydrophobicContact CG-CD1 3.97Å; P69-L620 HydrophobicContact CG-CG 4.46Å; L518-L620 HydrophobicContact CB-CD2 4.3Å; L518-L620 HydrophobicContact CD2-CD1 4.36Å; L518-L620 HydrophobicContact CD2-CD2 4.03Å; L518-L620 HydrophobicContact CD2-CG 4.35Å; L518-L620 HydrophobicContact CG-CD1 4.38Å; L518-L620 HydrophobicContact CG-CD2 4.36Å; I522-L620 HydrophobicContact CD1-CD1 3.28Å; I616-L620 HydrophobicContact CG1-CD1 3.96Å; I616-L620 HydrophobicContact CG1-CG 4.12Å; I616-L620 HydrophobicContact CG2-CD1 4.44Å; I616-L620 PolarHBondContact O-N 2.87Å; T617-L620 PolarHBondContact O-N 3.19Å; L620-R622 VanDerWaalsContact C-N 3.26Å; L620-R622 PolarHBondContact O-N 3.23Å; L620-W623 HydrophobicContact CD2-CE3 4.17Å; L620-W623 PolarHBondContact O-N 3.01Å; L620-W623 VanDerWaalsContact O-N 3.17Å; L620-L624 HydrophobicContact CB-CD1 4.35Å; L620-L624 VanDerWaalsContact O-CB 3.27Å; L620-L624 WeakPolarHBondContact O-CB 3.4Å; L620-L624 WeakPolarHBondContact O-CG 3.3Å; L620-L624 PolarHBondContact O-N 3.04Å
621E93.4Very high93.4Very high35 Ų3549.3 Ų49.316%0.16424%0.244CC..Hα-helixtrans-55-44.9172.1-75.6-170.8141.100111.6K66 Y67 H70 T617 G625K66-E621 HydrophobicContact CG-CB 4.3Å; K66-E621 HydrophobicContact CG-CG 4.46Å; K66-E621 WeakPolarHBondContact O-CG 3.3Å; Y67-E621 WeakPolarHBondContact CD1-OE1 3.5Å; H70-E621 IonicContact CE1-OE1 3.93Å; H70-E621 PolarHBondContact CE1-OE1 2.89Å; H70-E621 IonicContact CE1-OE2 2.8Å; H70-E621 IonicContact CG-OE1 2.61Å; H70-E621 VanDerWaalsContact ND1-CD 3.3Å; H70-E621 IonicContact ND1-OE1 3.53Å; H70-E621 PolarHBondContact ND1-OE1 3.22Å; H70-E621 IonicContact ND1-OE2 3.37Å; T617-E621 WeakPolarHBondContact O-CG 3.32Å; T617-E621 PolarHBondContact O-N 2.94Å; E621-G625 WeakPolarHBondContact O-CA 3.25Å; E621-G625 PolarHBondContact O-N 2.93Å
622R94.1Very high93.3Very high150 Ų15048.8 Ų48.857%0.56624%0.242SC*.Hα-helixtrans-66.1-45.5175.7-175.7179.463.5175.50112.1P618 L619 L620 N626P618-R622 PolarHBondContact O-N 3.01Å; L619-R622 PolarHBondContact O-N 3.41Å; L620-R622 VanDerWaalsContact C-N 3.26Å; L620-R622 PolarHBondContact O-N 3.23Å; R622-N626 WeakPolarHBondContact O-CB 3.37Å; R622-N626 PolarHBondContact O-N 3.22Å; R622-N626 PolarHBondContact O-OD1 3.35Å
623W96.4Very high93.1Very high74 Ų7455 Ų5528%0.2827%0.271SS..Hα-helixtrans-69.1-42.8-176.4-75.61.5000113.3N514 A515 L518 L619 L620 L627N514-W623 HydrophobicContact CB-CZ3 4.01Å; A515-W623 HydrophobicContact CB-CB 3.88Å; L518-W623 HydrophobicContact CD2-CZ3 4.34Å; L619-W623 HydrophobicContact CD1-CD2 4.22Å; L619-W623 HydrophobicContact CD1-CZ2 3.8Å; L619-W623 HydrophobicContact CD2-CH2 3.91Å; L619-W623 HydrophobicContact CD2-CZ2 3.86Å; L619-W623 HydrophobicContact CD2-CZ3 4.33Å; L619-W623 HydrophobicContact CG-CD2 4.06Å; L619-W623 HydrophobicContact CG-CE3 4.43Å; L619-W623 HydrophobicContact CG-CH2 4.34Å; L619-W623 HydrophobicContact CG-CZ2 3.96Å; L619-W623 WeakPolarHBondContact O-CB 3.16Å; L619-W623 VanDerWaalsContact O-CG 3.31Å; L619-W623 PolarHBondContact O-N 3.49Å; L620-W623 HydrophobicContact CD2-CE3 4.17Å; L620-W623 PolarHBondContact O-N 3.01Å; L620-W623 VanDerWaalsContact O-N 3.17Å; W623-L627 WeakPolarHBondContact O-CB 3.18Å; W623-L627 PolarHBondContact O-N 3.41Å
624L94.9Very high92.6Very high0 Ų056.2 Ų56.20%029%0.285CS..Hα-helixtrans-70.2-40.1175-66.2169.3000110L65 P69 A515 C519 L620 N626 L627 L628L65-L624 HydrophobicContact CD2-CD2 4.29Å; L65-L624 HydrophobicContact CG-CD1 4.4Å; L65-L624 HydrophobicContact CG-CD2 4.3Å; L65-L624 WeakPolarHBondContact O-CD1 3.48Å; P69-L624 HydrophobicContact CG-CD1 4.22Å; A515-L624 HydrophobicContact CB-CD2 4.11Å; C519-L624 HydrophobicContact CB-CD1 4.21Å; C519-L624 HydrophobicContact CB-CD2 4.37Å; L620-L624 HydrophobicContact CB-CD1 4.35Å; L620-L624 VanDerWaalsContact O-CB 3.27Å; L620-L624 WeakPolarHBondContact O-CB 3.4Å; L620-L624 WeakPolarHBondContact O-CG 3.3Å; L620-L624 PolarHBondContact O-N 3.04Å; L624-N626 PolarHBondContact O-N 3.09Å; L624-L627 HydrophobicContact CD2-CD2 4.39Å; L624-L627 WeakPolarHBondContact O-CB 3.48Å; L624-L627 PolarHBondContact O-N 3.5Å; L624-L628 WeakPolarHBondContact O-CB 3.21Å; L624-L628 VanDerWaalsContact O-CG 3.26Å; L624-L628 WeakPolarHBondContact O-CG 3.34Å; L624-L628 PolarHBondContact O-N 3.41Å
625G93.4Very high92.2Very high19 Ų1957.7 Ų57.720%0.19629%0.291CS..Hα-helixtrans-55-46.6171.300000113E621 L627 L628 S629E621-G625 WeakPolarHBondContact O-CA 3.25Å; E621-G625 PolarHBondContact O-N 2.93Å; G625-L627 VanDerWaalsContact C-N 3.33Å; G625-L627 PolarHBondContact O-N 3.32Å; G625-L628 PolarHBondContact O-N 3.07Å; G625-S629 WeakPolarHBondContact O-CB 3.42Å; G625-S629 PolarHBondContact O-N 3.18Å; G625-S629 PolarHBondContact O-OG 3.4Å
626N93.2Very high91.9Very high98 Ų9861.7 Ų61.752%0.52429%0.294SS..Hα-helixtrans-67.8-29.9175.5-69.7-5.5000113.3R622 L624 S629 R630R622-N626 WeakPolarHBondContact O-CB 3.37Å; R622-N626 PolarHBondContact O-N 3.22Å; R622-N626 PolarHBondContact O-OD1 3.35Å; L624-N626 PolarHBondContact O-N 3.09Å; N626-S629 VanDerWaalsContact CA-OG 3.28Å; N626-S629 WeakPolarHBondContact CA-OG 3.33Å; N626-S629 PolarHBondContact O-OG 3.4Å; N626-R630 VanDerWaalsContact O-CB 3.24Å; N626-R630 WeakPolarHBondContact O-CB 3.45Å; N626-R630 PolarHBondContact O-N 2.97Å
627L93.5Very high91.1Very high13 Ų1367 Ų677%0.06833%0.331CS..Hα-helixtrans-72.2-43.3176.8176.260.5000111.1L479 A515 W623 L624 G625 Q631L479-L627 HydrophobicContact CD2-CD2 3.93Å; A515-L627 HydrophobicContact CB-CD2 4.3Å; W623-L627 WeakPolarHBondContact O-CB 3.18Å; W623-L627 PolarHBondContact O-N 3.41Å; L624-L627 HydrophobicContact CD2-CD2 4.39Å; L624-L627 WeakPolarHBondContact O-CB 3.48Å; L624-L627 PolarHBondContact O-N 3.5Å; G625-L627 VanDerWaalsContact C-N 3.33Å; G625-L627 PolarHBondContact O-N 3.32Å; L627-Q631 WeakPolarHBondContact O-CB 3.37Å; L627-Q631 PolarHBondContact O-N 3.04Å; L627-Q631 VanDerWaalsContact O-N 3.08Å
628L93.9Very high90.2Very high11 Ų1176 Ų766%0.05837%0.37CS..Hα-helixtrans-71.2-49.8-179-67.5168.6000111.1L62 L65 K66 L624 G625 R630 Q631 F632L62-L628 HydrophobicContact CB-CD2 4.3Å; L62-L628 WeakPolarHBondContact O-CD1 3.33Å; L62-L628 VanDerWaalsContact O-CD2 3.24Å; L62-L628 WeakPolarHBondContact O-CD2 3.49Å; L65-L628 HydrophobicContact CB-CD1 4.34Å; L65-L628 HydrophobicContact CD2-CD2 4.47Å; K66-L628 HydrophobicContact CB-CD1 4.31Å; L624-L628 WeakPolarHBondContact O-CB 3.21Å; L624-L628 VanDerWaalsContact O-CG 3.26Å; L624-L628 WeakPolarHBondContact O-CG 3.34Å; L624-L628 PolarHBondContact O-N 3.41Å; G625-L628 PolarHBondContact O-N 3.07Å; L628-R630 VanDerWaalsContact C-N 3.3Å; L628-R630 PolarHBondContact O-N 3.25Å; L628-Q631 CarbonylContact O-C 3.55Å; L628-Q631 WeakPolarHBondContact O-CA 3.38Å; L628-Q631 WeakPolarHBondContact O-CB 3.37Å; L628-Q631 PolarHBondContact O-N 3.21Å; L628-F632 HydrophobicContact CB-CD2 4.32Å; L628-F632 HydrophobicContact CB-CE2 4.29Å; L628-F632 HydrophobicContact CD2-CE2 4.27Å; L628-F632 WeakPolarHBondContact O-CD2 3.35Å; L628-F632 PolarHBondContact O-N 2.92Å
629S90.9Very high89.2Confident36 Ų3675.1 Ų75.125%0.25238%0.376SS..Hα-helixtrans-52.1-49.6172.846.80000110.8G625 N626 Q631 F632 E633G625-S629 WeakPolarHBondContact O-CB 3.42Å; G625-S629 PolarHBondContact O-N 3.18Å; G625-S629 PolarHBondContact O-OG 3.4Å; N626-S629 VanDerWaalsContact CA-OG 3.28Å; N626-S629 WeakPolarHBondContact CA-OG 3.33Å; N626-S629 PolarHBondContact O-OG 3.4Å; S629-Q631 PolarHBondContact O-N 2.84Å; S629-Q631 VanDerWaalsContact O-N 3.17Å; S629-F632 PolarHBondContact O-N 3.03Å; S629-F632 VanDerWaalsContact O-N 3.14Å; S629-E633 VanDerWaalsContact O-CB 3.28Å; S629-E633 WeakPolarHBondContact O-CB 2.87Å; S629-E633 PolarHBondContact O-N 3.03Å
630R90.8Very high88.4Confident111 Ų11179.7 Ų79.742%0.41940%0.404SS..Hα-helixtrans-62.1-27.5176.4-168.5-177.667.5-165-3.4114.3N626 L628 G634 R635N626-R630 VanDerWaalsContact O-CB 3.24Å; N626-R630 WeakPolarHBondContact O-CB 3.45Å; N626-R630 PolarHBondContact O-N 2.97Å; L628-R630 VanDerWaalsContact C-N 3.3Å; L628-R630 PolarHBondContact O-N 3.25Å; R630-G634 WeakPolarHBondContact CA-O 3.28Å; R630-G634 CarbonylContact O-C 3.57Å; R630-G634 WeakPolarHBondContact O-CA 3.23Å; R630-G634 PolarHBondContact O-N 2.95Å; R630-R635 HydrophobicContact CG-CB 4.1Å
631Q89.9Confident87.5Confident50 Ų5083.9 Ų83.923%0.23444%0.439CS..Hα-helixtrans-81.8-30.7178.3-172.262.642.400112.1L479 R482 L627 L628 S629L479-Q631 HydrophobicContact CD1-CG 4.19Å; R482-Q631 HydrophobicContact CG-CG 4.17Å; L627-Q631 WeakPolarHBondContact O-CB 3.37Å; L627-Q631 PolarHBondContact O-N 3.04Å; L627-Q631 VanDerWaalsContact O-N 3.08Å; L628-Q631 CarbonylContact O-C 3.55Å; L628-Q631 WeakPolarHBondContact O-CA 3.38Å; L628-Q631 WeakPolarHBondContact O-CB 3.37Å; L628-Q631 PolarHBondContact O-N 3.21Å; S629-Q631 PolarHBondContact O-N 2.84Å; S629-Q631 VanDerWaalsContact O-N 3.17Å
632F91.5Very high86.8Confident74 Ų7489.7 Ų89.733%0.32546%0.464SS..Hα-helixtrans-89-46178.9-71-62.4000112.8R59 L62 L628 S629R59-F632 HydrophobicContact CG-CE1 4.09Å; R59-F632 HydrophobicContact CG-CZ 4.15Å; L62-F632 HydrophobicContact CB-CE2 4.17Å; L62-F632 HydrophobicContact CB-CZ 3.68Å; L62-F632 HydrophobicContact CD1-CE1 4.23Å; L62-F632 HydrophobicContact CD1-CZ 3.77Å; L62-F632 HydrophobicContact CG-CZ 4.4Å; L628-F632 HydrophobicContact CB-CD2 4.32Å; L628-F632 HydrophobicContact CB-CE2 4.29Å; L628-F632 HydrophobicContact CD2-CE2 4.27Å; L628-F632 WeakPolarHBondContact O-CD2 3.35Å; L628-F632 PolarHBondContact O-N 2.92Å; S629-F632 PolarHBondContact O-N 3.03Å; S629-F632 VanDerWaalsContact O-N 3.14Å
633E90.8Very high86.3Confident143 Ų14387.7 Ų87.767%0.66847%0.468SS*.THydrogen-bonded Turntrans-93.2-19.2-176.4-60161.5-16300112.7S629S629-E633 VanDerWaalsContact O-CB 3.28Å; S629-E633 WeakPolarHBondContact O-CB 2.87Å; S629-E633 PolarHBondContact O-N 3.03Å
634G85.4Confident85.7Confident32 Ų3287.6 Ų87.633%0.3348%0.476SS..  trans87.5-177.7-170.900000113.1R630R630-G634 WeakPolarHBondContact CA-O 3.28Å; R630-G634 CarbonylContact O-C 3.57Å; R630-G634 WeakPolarHBondContact O-CA 3.23Å; R630-G634 PolarHBondContact O-N 2.95Å
635R82.9Confident85.1Confident195 Ų19591.1 Ų91.174%0.73650%0.497SS*.  trans-95.6124.5174.3-174.8-171.7-64168.11.3108.7R630 S637R630-R635 HydrophobicContact CG-CB 4.1Å; R635-S637 PolarHBondContact O-N 3.18Å
636H85.7Confident84.6Confident141 Ų14197.2 Ų97.265%0.65352%0.519SS*.  trans-55.9109165.7-60.292.5000109.8K638H636-K638 VanDerWaalsContact C-N 3.3Å; H636-K638 PolarHBondContact O-N 3.01Å
637S77.5Confident83.9Confident115 Ų115100.9 Ų100.980%0.80453%0.533SS*.SBendtrans-64.5-33.5-170.759.40000113R635R635-S637 PolarHBondContact O-N 3.18Å
638K76.3Confident83.6Confident189 Ų189105.6 Ų105.682%0.82255%0.549SS*.SBendtrans-131.68.8179.7-63.9-176.5-178.4177.10114.7H636 V640H636-K638 VanDerWaalsContact C-N 3.3Å; H636-K638 PolarHBondContact O-N 3.01Å; K638-V640 PolarHBondContact O-N 3.34Å
639G72.7Confident83.3Confident62 Ų62107.8 Ų107.864%0.63956%0.563SS**SBendtrans-68.6-15.2-176.300000115.3
640V74.6Confident83.2Confident125 Ų125109.5 Ų109.576%0.75857%0.567SS**SBendtrans-120.7110.1171.8-176.60000108.2K638 K642K638-V640 PolarHBondContact O-N 3.34Å; V640-K642 PolarHBondContact O-N 2.95Å
641A76.5Confident83.1Confident88 Ų88108 Ų10873%0.72757%0.574SS**  trans-55.1127.2172.200000109.1T643A641-T643 PolarHBondContact O-N 3.1Å
642K78.5Confident83.2Confident158 Ų158108.8 Ų108.869%0.68758%0.578SS**  trans-66.6112.5-179.1-70.6-180-177.5170.20108.2V640 V644V640-K642 PolarHBondContact O-N 2.95Å; K642-V644 PolarHBondContact O-N 3.16Å
643T82.7Confident83.2Confident107 Ų107107.7 Ų107.766%0.65657%0.572SS**  trans-54.1137.417655.50000111A641 T645A641-T643 PolarHBondContact O-N 3.1Å; T643-T645 PolarHBondContact O-N 3.07Å
644V83.4Confident83.2Confident72 Ų72103.8 Ų103.844%0.43656%0.555SS.*  trans-69.796.4175.3-175.30000108.5K642 V649 H652K642-V644 PolarHBondContact O-N 3.16Å; V644-V649 HydrophobicContact CG1-CG2 4.22Å; V644-H652 HydrophobicContact CG1-CB 4.17Å; V644-H652 HydrophobicContact CG2-CB 4.5Å; V644-H652 WeakPolarHBondContact CG2-CD2 3.45Å; V644-H652 WeakPolarHBondContact CG2-NE2 3.44Å
645T83.7Confident83.4Confident74 Ų74107.8 Ų107.845%0.45457%0.568SS.*  trans-94.3169.9175.361.20000110.7T643 Q647 R648 V649T643-T645 PolarHBondContact O-N 3.07Å; T645-Q647 PolarHBondContact O-N 2.83Å; T645-R648 PolarHBondContact O-N 3.11Å; T645-V649 WeakPolarHBondContact O-CG2 3.32Å; T645-V649 PolarHBondContact O-N 3.05Å
646K81.4Confident83.8Confident148 Ų148103.5 Ų103.564%0.64356%0.557SS**THydrogen-bonded Turntrans-46.7-33.3-176.4-173.859.1176.4172.70115.4
647Q80.3Confident84.1Confident175 Ų17597.6 Ų97.682%0.81853%0.53SS*.THydrogen-bonded Turntrans-71.3-27.3179.9-172.3-178.50.900113.5T645T645-Q647 PolarHBondContact O-N 2.83Å
648R85.4Confident84.7Confident111 Ų11197.8 Ų97.842%0.41951%0.513SS..THydrogen-bonded Turntrans-107.7-2.5-171.3-64.2-179.4175.3-144.4-13.9114.1T645 E650 S651 H652T645-R648 PolarHBondContact O-N 3.11Å; R648-E650 PolarHBondContact O-N 3.42Å; R648-S651 PolarHBondContact O-N 3.31Å; R648-H652 VanDerWaalsContact O-CB 3.25Å; R648-H652 WeakPolarHBondContact O-CB 3.44Å; R648-H652 PolarHBondContact O-N 2.85Å
649V89.4Confident85.4Confident58 Ų5890.7 Ų90.735%0.35249%0.49SS..Hα-helixtrans-55.1-49.2-177.8178.60000111.4V644 T645 H652 Y653V644-V649 HydrophobicContact CG1-CG2 4.22Å; T645-V649 WeakPolarHBondContact O-CG2 3.32Å; T645-V649 PolarHBondContact O-N 3.05Å; V649-H652 PolarHBondContact O-N 3.46Å; V649-Y653 WeakPolarHBondContact O-CB 2.97Å; V649-Y653 PolarHBondContact O-N 2.85Å
650E88.1Confident86.3Confident71 Ų7189.3 Ų89.333%0.33247%0.472SS..Hα-helixtrans-66.5-44.1-179.9-57.2-178.1166.700111.7R648 H652 Y653 D654 W721 K746 R750R648-E650 PolarHBondContact O-N 3.42Å; E650-H652 VanDerWaalsContact C-N 3.32Å; E650-H652 PolarHBondContact O-N 2.73Å; E650-Y653 PolarHBondContact O-N 2.67Å; E650-D654 PolarHBondContact O-N 3.47Å; E650-W721 HydrophobicContact CB-CH2 4.48Å; E650-W721 HydrophobicContact CG-CH2 4.06Å; E650-K746 IonicContact OE1-NZ 2.65Å; E650-K746 PolarHBondContact OE1-NZ 3Å; E650-K746 IonicContact OE2-NZ 2.99Å; E650-K746 PolarHBondContact OE2-NZ 2.69Å; E650-R750 IonicContact OE1-NH2 3.17Å; E650-R750 PolarHBondContact OE1-NH2 3.49Å
651S89.4Confident87Confident81 Ų8183.4 Ų83.457%0.56644%0.436SS*.Hα-helixtrans-66.6-32.7179.1-52.10000113.3R648 L655R648-S651 PolarHBondContact O-N 3.31Å; S651-L655 PolarHBondContact O-N 3.05Å
652H91.5Very high87.5Confident66 Ų6683 Ų8331%0.30642%0.42SS..Hα-helixtrans-73.8-43.5176.6-172.851.2000111V644 R648 V649 E650 D654 L655 E656V644-H652 HydrophobicContact CG1-CB 4.17Å; V644-H652 HydrophobicContact CG2-CB 4.5Å; V644-H652 WeakPolarHBondContact CG2-CD2 3.45Å; V644-H652 WeakPolarHBondContact CG2-NE2 3.44Å; R648-H652 VanDerWaalsContact O-CB 3.25Å; R648-H652 WeakPolarHBondContact O-CB 3.44Å; R648-H652 PolarHBondContact O-N 2.85Å; V649-H652 PolarHBondContact O-N 3.46Å; E650-H652 VanDerWaalsContact C-N 3.32Å; E650-H652 PolarHBondContact O-N 2.73Å; H652-D654 VanDerWaalsContact C-N 3.34Å; H652-D654 PolarHBondContact O-N 3.37Å; H652-L655 WeakPolarHBondContact O-CB 3.35Å; H652-L655 PolarHBondContact O-N 3.42Å; H652-E656 IonicContact CD2-OE1 3.58Å; H652-E656 IonicContact CE1-OE1 3.59Å; H652-E656 PolarHBondContact CE1-OE1 2.96Å; H652-E656 IonicContact NE2-OE1 3.66Å; H652-E656 PolarHBondContact NE2-OE1 3.38Å; H652-E656 PolarHBondContact O-N 3.33Å
653Y91.1Very high88Confident50 Ų5081 Ų8120%0.19641%0.413CS..Hα-helixtrans-57.4-45.1173.8-174.5-88.7000112V649 E650 L655 E656 L657 A717 K718 W721V649-Y653 WeakPolarHBondContact O-CB 2.97Å; V649-Y653 PolarHBondContact O-N 2.85Å; E650-Y653 PolarHBondContact O-N 2.67Å; Y653-L655 VanDerWaalsContact C-N 3.27Å; Y653-L655 PolarHBondContact O-N 3.23Å; Y653-E656 PolarHBondContact O-N 3.31Å; Y653-L657 VanDerWaalsContact O-CB 3.29Å; Y653-L657 WeakPolarHBondContact O-CB 3.24Å; Y653-L657 PolarHBondContact O-N 2.9Å; Y653-A717 PolarHBondContact OH-O 3.3Å; Y653-K718 HydrophobicContact CE1-CB 4.42Å; Y653-K718 HydrophobicContact CE1-CG 4.08Å; Y653-W721 HydrophobicContact CD1-CD2 4.37Å; Y653-W721 HydrophobicContact CD1-CE3 4.27Å; Y653-W721 HydrophobicContact CD1-CZ3 4.36Å; Y653-W721 HydrophobicContact CD2-CD2 4.38Å; Y653-W721 HydrophobicContact CD2-CG 4.45Å; Y653-W721 HydrophobicContact CE1-CD2 4.17Å; Y653-W721 HydrophobicContact CE1-CE3 4.08Å; Y653-W721 HydrophobicContact CE1-CG 4.44Å; Y653-W721 HydrophobicContact CE2-CB 4.3Å; Y653-W721 AromaticContact CE2-CD1 3.88Å; Y653-W721 HydrophobicContact CE2-CD2 4.15Å; Y653-W721 AromaticContact CE2-CG 3.86Å; Y653-W721 HydrophobicContact CE2-CG 3.86Å; Y653-W721 HydrophobicContact CG-CD2 4.48Å; Y653-W721 HydrophobicContact CG-CZ2 4.37Å; Y653-W721 AromaticContact CZ-CG 3.86Å
654D89.9Confident88.3Confident62 Ų6277.8 Ų77.833%0.33239%0.392SS..Hα-helixtrans-64.4-31.4176.3-75.9-28.9000112.8E650 H652 R658 K718E650-D654 PolarHBondContact O-N 3.47Å; H652-D654 VanDerWaalsContact C-N 3.34Å; H652-D654 PolarHBondContact O-N 3.37Å; D654-R658 WeakPolarHBondContact O-CB 3.08Å; D654-R658 WeakPolarHBondContact O-CD 3.21Å; D654-R658 WeakPolarHBondContact O-CG 3.35Å; D654-R658 PolarHBondContact O-N 2.92Å; D654-K718 WeakPolarHBondContact OD1-CE 3.38Å; D654-K718 IonicContact OD1-NZ 2.95Å; D654-K718 PolarHBondContact OD1-NZ 3.08Å
655L89.8Confident88.4Confident115 Ų11574.5 Ų74.560%0.60237%0.372SS*.Hα-helixtrans-72.5-46.4177.1-175.668.3000111.2S651 H652 Y653 R658 A659S651-L655 PolarHBondContact O-N 3.05Å; H652-L655 WeakPolarHBondContact O-CB 3.35Å; H652-L655 PolarHBondContact O-N 3.42Å; Y653-L655 VanDerWaalsContact C-N 3.27Å; Y653-L655 PolarHBondContact O-N 3.23Å; L655-R658 PolarHBondContact O-N 3.17Å; L655-A659 WeakPolarHBondContact O-CB 3.24Å; L655-A659 PolarHBondContact O-N 3.2Å
656E91.5Very high88.3Confident106 Ų10675.2 Ų75.250%0.49537%0.372SS..Hα-helixtrans-62.9-43177.1-71-178.715600111.4H652 Y653 R658 A659 A660H652-E656 IonicContact CD2-OE1 3.58Å; H652-E656 IonicContact CE1-OE1 3.59Å; H652-E656 PolarHBondContact CE1-OE1 2.96Å; H652-E656 IonicContact NE2-OE1 3.66Å; H652-E656 PolarHBondContact NE2-OE1 3.38Å; H652-E656 PolarHBondContact O-N 3.33Å; Y653-E656 PolarHBondContact O-N 3.31Å; E656-R658 PolarHBondContact O-N 3.03Å; E656-A659 PolarHBondContact O-N 3.11Å; E656-A660 WeakPolarHBondContact O-CB 3.1Å; E656-A660 PolarHBondContact O-N 2.99Å
657L91.7Very high88.5Confident16 Ų1674.5 Ų74.58%0.08438%0.376CS..Hα-helixtrans-60.1-45176.2-173.375.6000112.2Y653 A659 A660 V661 Y714 K718Y653-L657 VanDerWaalsContact O-CB 3.29Å; Y653-L657 WeakPolarHBondContact O-CB 3.24Å; Y653-L657 PolarHBondContact O-N 2.9Å; L657-A659 VanDerWaalsContact C-N 3.33Å; L657-A660 PolarHBondContact O-N 3.23Å; L657-V661 WeakPolarHBondContact O-CB 3.38Å; L657-V661 VanDerWaalsContact O-CG2 3.27Å; L657-V661 WeakPolarHBondContact O-CG2 3.44Å; L657-V661 PolarHBondContact O-N 3.38Å; L657-Y714 HydrophobicContact CD1-CD1 3.45Å; L657-Y714 VanDerWaalsContact CD1-CD1 3.45Å; L657-Y714 HydrophobicContact CD1-CE1 4.25Å; L657-Y714 HydrophobicContact CD1-CG 4.13Å; L657-K718 HydrophobicContact CD2-CB 4.43Å; L657-K718 HydrophobicContact CD2-CD 3.77Å
658R90.7Very high88.5Confident120 Ų12070 Ų7045%0.45336%0.355SS..Hα-helixtrans-66.9-35.5177.8-73.5173.368.687.60.9112D654 L655 E656 M662 L682D654-R658 WeakPolarHBondContact O-CB 3.08Å; D654-R658 WeakPolarHBondContact O-CD 3.21Å; D654-R658 WeakPolarHBondContact O-CG 3.35Å; D654-R658 PolarHBondContact O-N 2.92Å; L655-R658 PolarHBondContact O-N 3.17Å; E656-R658 PolarHBondContact O-N 3.03Å; R658-M662 VanDerWaalsContact O-CB 3.31Å; R658-M662 WeakPolarHBondContact O-CB 3.4Å; R658-M662 PolarHBondContact O-N 3.29Å; R658-L682 HydrophobicContact CB-CD2 4.34Å; R658-L682 HydrophobicContact CG-CD2 4.34Å
659A90.7Very high88Confident40 Ų4066.8 Ų66.833%0.33135%0.346SS..Hα-helixtrans-66.4-48.5175.400000110.8L655 E656 L657 V661 M662 H663L655-A659 WeakPolarHBondContact O-CB 3.24Å; L655-A659 PolarHBondContact O-N 3.2Å; E656-A659 PolarHBondContact O-N 3.11Å; L657-A659 VanDerWaalsContact C-N 3.33Å; A659-V661 VanDerWaalsContact C-N 3.34Å; A659-V661 PolarHBondContact O-N 2.96Å; A659-M662 WeakPolarHBondContact O-CB 3.33Å; A659-M662 PolarHBondContact O-N 3.13Å; A659-H663 PolarHBondContact O-CD2 3.42Å; A659-H663 PolarHBondContact O-N 3.3Å
660A91.5Very high87.5Confident33 Ų3368.1 Ų68.127%0.27336%0.356SS..Hα-helixtrans-57.5-45.6177.200000112.1E656 L657 M662 H663 D664 Y714E656-A660 WeakPolarHBondContact O-CB 3.1Å; E656-A660 PolarHBondContact O-N 2.99Å; L657-A660 PolarHBondContact O-N 3.23Å; A660-M662 VanDerWaalsContact C-N 3.34Å; A660-M662 PolarHBondContact O-N 3.03Å; A660-H663 PolarHBondContact O-N 3.01Å; A660-D664 PolarHBondContact O-N 2.86Å; A660-Y714 HydrophobicContact CB-CE1 3.95Å
661V89.7Confident86.9Confident0 Ų074.7 Ų74.70%039%0.386CS..Hα-helixtrans-62.4-40.2174.5168.90000111.9L657 A659 D664 I665 L682 L685 M710 Y714L657-V661 WeakPolarHBondContact O-CB 3.38Å; L657-V661 VanDerWaalsContact O-CG2 3.27Å; L657-V661 WeakPolarHBondContact O-CG2 3.44Å; L657-V661 PolarHBondContact O-N 3.38Å; A659-V661 VanDerWaalsContact C-N 3.34Å; A659-V661 PolarHBondContact O-N 2.96Å; V661-D664 PolarHBondContact O-N 3.48Å; V661-I665 HydrophobicContact CG1-CD1 3.55Å; V661-I665 HydrophobicContact CG1-CG1 4.22Å; V661-I665 WeakPolarHBondContact O-CB 3.37Å; V661-I665 VanDerWaalsContact O-CD1 3.3Å; V661-I665 WeakPolarHBondContact O-CD1 3.39Å; V661-I665 WeakPolarHBondContact O-CG1 3.42Å; V661-I665 PolarHBondContact O-N 3.49Å; V661-L682 HydrophobicContact CB-CD2 4.22Å; V661-L682 HydrophobicContact CG1-CD2 3.75Å; V661-L685 HydrophobicContact CB-CD2 4.3Å; V661-L685 HydrophobicContact CG1-CD2 4.22Å; V661-L685 HydrophobicContact CG2-CD1 4.38Å; V661-L685 HydrophobicContact CG2-CD2 3.83Å; V661-M710 HydrophobicContact CB-SD 4.34Å; V661-M710 HydrophobicContact CG1-CE 4.08Å; V661-M710 HydrophobicContact CG1-SD 3.71Å; V661-M710 HydrophobicContact CG2-SD 4.14Å; V661-Y714 HydrophobicContact CB-CE2 4.47Å; V661-Y714 HydrophobicContact CG2-CD1 4.13Å; V661-Y714 HydrophobicContact CG2-CD2 3.3Å; V661-Y714 HydrophobicContact CG2-CE1 4.37Å; V661-Y714 HydrophobicContact CG2-CE2 3.58Å; V661-Y714 HydrophobicContact CG2-CG 3.58Å
662M86.7Confident86.3Confident80 Ų8074.7 Ų74.739%0.39440%0.4SS..Hα-helixtrans-66.1-39.5178.7-170.9-179.2-61.400112R658 A659 A660 I665 L666 L682R658-M662 VanDerWaalsContact O-CB 3.31Å; R658-M662 WeakPolarHBondContact O-CB 3.4Å; R658-M662 PolarHBondContact O-N 3.29Å; A659-M662 WeakPolarHBondContact O-CB 3.33Å; A659-M662 PolarHBondContact O-N 3.13Å; A660-M662 VanDerWaalsContact C-N 3.34Å; A660-M662 PolarHBondContact O-N 3.03Å; M662-I665 PolarHBondContact O-N 3.44Å; M662-L666 HydrophobicContact CG-CD1 4.4Å; M662-L666 VanDerWaalsContact O-CG 3.31Å; M662-L666 WeakPolarHBondContact O-CG 3.36Å; M662-L666 PolarHBondContact O-N 3.48Å; M662-L682 HydrophobicContact CE-CD1 3.76Å
663H89.4Confident85.3Confident117 Ų11774.6 Ų74.654%0.54240%0.401SS..Hα-helixtrans-60.8-52.7173.4-72.6-61.9000110.7A659 A660 I665 L666 D667A659-H663 PolarHBondContact O-CD2 3.42Å; A659-H663 PolarHBondContact O-N 3.3Å; A660-H663 PolarHBondContact O-N 3.01Å; H663-I665 VanDerWaalsContact C-N 3.28Å; H663-I665 PolarHBondContact O-N 2.99Å; H663-L666 PolarHBondContact O-N 2.89Å; H663-D667 VanDerWaalsContact O-CG 3.31Å; H663-D667 PolarHBondContact O-N 3.46Å
664D88.9Confident84.2Confident38 Ų3880 Ų8020%0.20343%0.425CS..Hα-helixtrans-60.2-35.6178.4-66.7-10.2000112.9A660 V661 D667 M668 M710 R713 Y714A660-D664 PolarHBondContact O-N 2.86Å; V661-D664 PolarHBondContact O-N 3.48Å; D664-D667 PolarHBondContact O-N 3.42Å; D664-M668 HydrophobicContact CB-CE 4.21Å; D664-M668 WeakPolarHBondContact O-CB 3.37Å; D664-M668 VanDerWaalsContact O-CE 3.27Å; D664-M668 WeakPolarHBondContact O-CE 3.18Å; D664-M668 VanDerWaalsContact O-CG 3.24Å; D664-M668 WeakPolarHBondContact O-CG 3.45Å; D664-M668 PolarHBondContact O-N 2.8Å; D664-M710 HydrophobicContact CB-CG 4.35Å; D664-R713 IonicContact OD2-CZ 2.82Å; D664-R713 IonicContact OD2-NH2 3.89Å; D664-R713 PolarHBondContact OD2-NH2 3.43Å; D664-Y714 WeakPolarHBondContact OD2-CE2 3.3Å; D664-Y714 PolarHBondContact OD2-OH 2.92Å
665I85.2Confident83.4Confident4 Ų484.6 Ų84.62%0.02145%0.445CS..Hα-helixtrans-64.2-45.3175.4-71.3160.3000110.7V661 M662 H663 D667 M668 M669 I681 M710V661-I665 HydrophobicContact CG1-CD1 3.55Å; V661-I665 HydrophobicContact CG1-CG1 4.22Å; V661-I665 WeakPolarHBondContact O-CB 3.37Å; V661-I665 VanDerWaalsContact O-CD1 3.3Å; V661-I665 WeakPolarHBondContact O-CD1 3.39Å; V661-I665 WeakPolarHBondContact O-CG1 3.42Å; V661-I665 PolarHBondContact O-N 3.49Å; M662-I665 PolarHBondContact O-N 3.44Å; H663-I665 VanDerWaalsContact C-N 3.28Å; H663-I665 PolarHBondContact O-N 2.99Å; I665-D667 VanDerWaalsContact C-N 3.27Å; I665-D667 PolarHBondContact O-N 3.46Å; I665-M668 PolarHBondContact O-N 2.96Å; I665-M669 HydrophobicContact CG2-CE 3.86Å; I665-M669 HydrophobicContact CG2-CG 4.13Å; I665-M669 WeakPolarHBondContact O-CG 3.38Å; I665-M669 PolarHBondContact O-N 2.95Å; I665-M669 VanDerWaalsContact O-N 3.15Å; I665-I681 HydrophobicContact CD1-CB 3.71Å; I665-I681 HydrophobicContact CD1-CD1 4.08Å; I665-I681 HydrophobicContact CD1-CG2 3.4Å; I665-I681 HydrophobicContact CG1-CB 4.47Å; I665-I681 HydrophobicContact CG1-CD1 4.04Å; I665-I681 HydrophobicContact CG1-CG2 3.94Å; I665-I681 HydrophobicContact CG2-CD1 3.71Å; I665-M710 HydrophobicContact CD1-CE 4.15Å; I665-M710 HydrophobicContact CG1-CE 3.57Å
666L82.9Confident82.8Confident88 Ų8885.2 Ų85.246%0.46145%0.449SS..Hα-helixtrans-65.2-36.2-178.8-71.3170.7000111M662 H663M662-L666 HydrophobicContact CG-CD1 4.4Å; M662-L666 VanDerWaalsContact O-CG 3.31Å; M662-L666 WeakPolarHBondContact O-CG 3.36Å; M662-L666 PolarHBondContact O-N 3.48Å; H663-L666 PolarHBondContact O-N 2.89Å
667D84.6Confident82.4Confident133 Ų13385.4 Ų85.471%0.71145%0.448SS*.Hα-helixtrans-74.4-28.4178.9-61.2-18.4000112.8H663 D664 I665H663-D667 VanDerWaalsContact O-CG 3.31Å; H663-D667 PolarHBondContact O-N 3.46Å; D664-D667 PolarHBondContact O-N 3.42Å; I665-D667 VanDerWaalsContact C-N 3.27Å; I665-D667 PolarHBondContact O-N 3.46Å
668M79.6Confident82Confident80 Ų8085.3 Ų85.339%0.39445%0.449SS..Hα-helixtrans-88.6-16.4179.8-73.5-172.9-6600114.8D664 I665 P670 P706 M710D664-M668 HydrophobicContact CB-CE 4.21Å; D664-M668 WeakPolarHBondContact O-CB 3.37Å; D664-M668 VanDerWaalsContact O-CE 3.27Å; D664-M668 WeakPolarHBondContact O-CE 3.18Å; D664-M668 VanDerWaalsContact O-CG 3.24Å; D664-M668 WeakPolarHBondContact O-CG 3.45Å; D664-M668 PolarHBondContact O-N 2.8Å; I665-M668 PolarHBondContact O-N 2.96Å; M668-P670 WeakPolarHBondContact O-CD 3.5Å; M668-P706 HydrophobicContact SD-CB 4.39Å; M668-M710 HydrophobicContact CE-CB 3.8Å; M668-M710 HydrophobicContact CE-CE 3.94Å; M668-M710 HydrophobicContact CE-CG 3.69Å
669M76.6Confident81.7Confident45 Ų4589.3 Ų89.322%0.22246%0.464CS..SBendtrans-77.3124.4-176.1-76-78179.200110.6I665 I673 K677 I681 I707I665-M669 HydrophobicContact CG2-CE 3.86Å; I665-M669 HydrophobicContact CG2-CG 4.13Å; I665-M669 WeakPolarHBondContact O-CG 3.38Å; I665-M669 PolarHBondContact O-N 2.95Å; I665-M669 VanDerWaalsContact O-N 3.15Å; M669-I673 HydrophobicContact SD-CB 4.01Å; M669-I673 HydrophobicContact SD-CD1 3.76Å; M669-I673 HydrophobicContact SD-CG1 4.46Å; M669-I673 HydrophobicContact SD-CG2 3.62Å; M669-K677 HydrophobicContact CE-CB 4.33Å; M669-I681 HydrophobicContact CE-CD1 3.32Å; M669-I707 HydrophobicContact CE-CD1 4.17Å
670P77.6Confident81.6Confident86 Ų8690.5 Ų90.556%0.55847%0.468SS*.PPolyproline II helixtrans-63.5153.917424.4-33.1000111.7M668 G672 I673M668-P670 WeakPolarHBondContact O-CD 3.5Å; P670-G672 PolarHBondContact O-N 3.14Å; P670-I673 HydrophobicContact CG-CD1 3.85Å; P670-I673 HydrophobicContact CG-CG1 4.28Å; P670-I673 PolarHBondContact O-N 2.77Å
671E75.7Confident81.4Confident208 Ų20889.3 Ų89.397%0.97246%0.457SS*.THydrogen-bonded Turntrans-55.5120.2175.9-61.1-171.4172.900109.9
672G77.2Confident81.5Confident82 Ų8289.6 Ų89.685%0.84546%0.458SS*.THydrogen-bonded Turntrans119.7-11.318000000116.4P670P670-G672 PolarHBondContact O-N 3.14Å
673I71.6Confident81.6Confident63 Ų6392.1 Ų92.132%0.32347%0.469SS..  trans-86126.5177.8-63.1-172.3000112.2M669 P670 Q675 K677M669-I673 HydrophobicContact SD-CB 4.01Å; M669-I673 HydrophobicContact SD-CD1 3.76Å; M669-I673 HydrophobicContact SD-CG1 4.46Å; M669-I673 HydrophobicContact SD-CG2 3.62Å; P670-I673 HydrophobicContact CG-CD1 3.85Å; P670-I673 HydrophobicContact CG-CG1 4.28Å; P670-I673 PolarHBondContact O-N 2.77Å; I673-Q675 PolarHBondContact O-N 3.32Å; I673-K677 HydrophobicContact CG2-CD 3.55Å; I673-K677 HydrophobicContact CG2-CG 4.14Å
674K67.4Low81.7Confident163 Ų16388.8 Ų88.871%0.70945%0.454SS*.  trans-56.8127.9176.1-65.1-176.6-179178.70111.6N676 K677K674-N676 PolarHBondContact O-N 2.91Å; K674-K677 PolarHBondContact O-N 3.16Å; K674-K677 VanDerWaalsContact O-N 3.14Å
675Q71.8Confident81.9Confident160 Ų16087.5 Ų87.575%0.74845%0.447SS*.THydrogen-bonded Turntrans-54.3-18.5175.4-69.1-179.1-4.200114.1I673 K677 A678I673-Q675 PolarHBondContact O-N 3.32Å; Q675-K677 PolarHBondContact O-N 3.31Å; Q675-K677 VanDerWaalsContact O-N 3.1Å; Q675-A678 WeakPolarHBondContact O-CB 3.46Å; Q675-A678 PolarHBondContact O-N 3.39Å; Q675-A678 VanDerWaalsContact O-N 3.11Å
676N78.5Confident82.3Confident128 Ų12888.5 Ų88.568%0.68446%0.458SS*.THydrogen-bonded Turntrans-56.1-26.6176-64.3-9.7000113.2K674 A678K674-N676 PolarHBondContact O-N 2.91Å; N676-A678 VanDerWaalsContact C-N 3.25Å; N676-A678 PolarHBondContact O-N 3.47Å
677K81.9Confident82.7Confident110 Ų11088.1 Ų88.148%0.47845%0.454SS..Hα-helixtrans-66.6-21.9178.8-64.6-164.6-171.2174.50113.8M669 I673 K674 Q675 R679 T680 I681M669-K677 HydrophobicContact CE-CB 4.33Å; I673-K677 HydrophobicContact CG2-CD 3.55Å; I673-K677 HydrophobicContact CG2-CG 4.14Å; K674-K677 PolarHBondContact O-N 3.16Å; K674-K677 VanDerWaalsContact O-N 3.14Å; Q675-K677 PolarHBondContact O-N 3.31Å; Q675-K677 VanDerWaalsContact O-N 3.1Å; K677-R679 VanDerWaalsContact C-N 3.27Å; K677-R679 PolarHBondContact O-N 2.97Å; K677-T680 WeakPolarHBondContact O-CB 3.24Å; K677-T680 PolarHBondContact O-N 3.2Å; K677-T680 VanDerWaalsContact O-N 3.09Å; K677-I681 PolarHBondContact O-N 2.87Å
678A83.4Confident83.2Confident14 Ų1482 Ų8212%0.11642%0.421CS..Hα-helixtrans-58.8-37.4-179.500000112.5Q675 N676 I681 L682Q675-A678 WeakPolarHBondContact O-CB 3.46Å; Q675-A678 PolarHBondContact O-N 3.39Å; Q675-A678 VanDerWaalsContact O-N 3.11Å; N676-A678 VanDerWaalsContact C-N 3.25Å; N676-A678 PolarHBondContact O-N 3.47Å; A678-I681 PolarHBondContact O-N 3.11Å; A678-L682 WeakPolarHBondContact O-CG 3.43Å; A678-L682 PolarHBondContact O-N 3.35Å; A678-L682 VanDerWaalsContact O-N 3.08Å
679R85.2Confident83.9Confident203 Ų20379.8 Ų79.877%0.76641%0.409SS*.Hα-helixtrans-65.7-40176.9-69.6-175.5-179.3-179.72.6111.9K677 L682 Q683K677-R679 VanDerWaalsContact C-N 3.27Å; K677-R679 PolarHBondContact O-N 2.97Å; R679-L682 PolarHBondContact O-N 3.12Å; R679-Q683 WeakPolarHBondContact O-CG 3.2Å; R679-Q683 PolarHBondContact O-N 3.46Å
680T87.5Confident84.7Confident65 Ų6584.7 Ų84.740%0.39943%0.425SS..Hα-helixtrans-64.5-44.6178-47.50000110.9K677 L682 Q683 H684K677-T680 WeakPolarHBondContact O-CB 3.24Å; K677-T680 PolarHBondContact O-N 3.2Å; K677-T680 VanDerWaalsContact O-N 3.09Å; T680-L682 VanDerWaalsContact C-N 3.31Å; T680-L682 PolarHBondContact O-N 2.89Å; T680-Q683 WeakPolarHBondContact O-CA 3.32Å; T680-Q683 WeakPolarHBondContact O-CB 3.34Å; T680-Q683 PolarHBondContact O-N 3.43Å; T680-H684 PolarHBondContact O-CD2 2.88Å; T680-H684 PolarHBondContact O-N 2.72Å
681I88.8Confident85.4Confident9 Ų981.2 Ų81.25%0.04640%0.402CS..Hα-helixtrans-63.1-39.6176.8-60.6167.8000111I665 M669 K677 A678 Q683 H684 L685 I707 M710 I711I665-I681 HydrophobicContact CD1-CB 3.71Å; I665-I681 HydrophobicContact CD1-CD1 4.08Å; I665-I681 HydrophobicContact CD1-CG2 3.4Å; I665-I681 HydrophobicContact CG1-CB 4.47Å; I665-I681 HydrophobicContact CG1-CD1 4.04Å; I665-I681 HydrophobicContact CG1-CG2 3.94Å; I665-I681 HydrophobicContact CG2-CD1 3.71Å; M669-I681 HydrophobicContact CE-CD1 3.32Å; K677-I681 PolarHBondContact O-N 2.87Å; A678-I681 PolarHBondContact O-N 3.11Å; I681-Q683 VanDerWaalsContact C-N 3.28Å; I681-Q683 PolarHBondContact O-N 3.25Å; I681-H684 WeakPolarHBondContact O-CB 3.46Å; I681-H684 PolarHBondContact O-N 3.06Å; I681-H684 VanDerWaalsContact O-N 3.16Å; I681-L685 PolarHBondContact O-N 3.27Å; I681-I707 HydrophobicContact CD1-CD1 3.81Å; I681-I707 HydrophobicContact CD1-CG1 4.45Å; I681-I707 HydrophobicContact CD1-CG2 4.32Å; I681-I707 HydrophobicContact CG1-CD1 4.38Å; I681-I707 HydrophobicContact CG1-CG2 4.15Å; I681-I707 HydrophobicContact CG2-CG2 3.75Å; I681-M710 HydrophobicContact CG2-CE 3.89Å; I681-I711 HydrophobicContact CG2-CD1 4.17Å; I681-I711 HydrophobicContact CG2-CG1 4.49Å
682L90.3Very high86.3Confident6 Ų674.5 Ų74.53%0.03137%0.368CS..Hα-helixtrans-67.1-26.9174.6-69.8174000113.4R658 V661 M662 A678 R679 T680 L685 G686R658-L682 HydrophobicContact CB-CD2 4.34Å; R658-L682 HydrophobicContact CG-CD2 4.34Å; V661-L682 HydrophobicContact CB-CD2 4.22Å; V661-L682 HydrophobicContact CG1-CD2 3.75Å; M662-L682 HydrophobicContact CE-CD1 3.76Å; A678-L682 WeakPolarHBondContact O-CG 3.43Å; A678-L682 PolarHBondContact O-N 3.35Å; A678-L682 VanDerWaalsContact O-N 3.08Å; R679-L682 PolarHBondContact O-N 3.12Å; T680-L682 VanDerWaalsContact C-N 3.31Å; T680-L682 PolarHBondContact O-N 2.89Å; L682-L685 HydrophobicContact CD2-CD2 4.2Å; L682-G686 PolarHBondContact O-N 3.25Å; L682-G686 VanDerWaalsContact O-N 3.14Å
683Q90.5Very high87.1Confident132 Ų13273.5 Ų73.562%0.61734%0.341SS*.Hα-helixtrans-69.7-43.2169.9-72.1172.4-10.600110.5R679 T680 I681 G686 E687R679-Q683 WeakPolarHBondContact O-CG 3.2Å; R679-Q683 PolarHBondContact O-N 3.46Å; T680-Q683 WeakPolarHBondContact O-CA 3.32Å; T680-Q683 WeakPolarHBondContact O-CB 3.34Å; T680-Q683 PolarHBondContact O-N 3.43Å; I681-Q683 VanDerWaalsContact C-N 3.28Å; I681-Q683 PolarHBondContact O-N 3.25Å; Q683-G686 CarbonylContact O-C 3.5Å; Q683-G686 WeakPolarHBondContact O-CA 3.13Å; Q683-G686 PolarHBondContact O-N 2.94Å; Q683-G686 VanDerWaalsContact O-N 3.11Å; Q683-E687 PolarHBondContact O-N 2.96Å
684H91.7Very high88.1Confident48 Ų4870.8 Ų70.822%0.22233%0.328CS..Hα-helixtrans-62-41.2174.4-70.1-63.7000112.7T680 I681 G686 E687 A688 W698 M703 I711T680-H684 PolarHBondContact O-CD2 2.88Å; T680-H684 PolarHBondContact O-N 2.72Å; I681-H684 WeakPolarHBondContact O-CB 3.46Å; I681-H684 PolarHBondContact O-N 3.06Å; I681-H684 VanDerWaalsContact O-N 3.16Å; H684-G686 VanDerWaalsContact C-N 3.3Å; H684-G686 PolarHBondContact O-N 2.89Å; H684-E687 PolarHBondContact O-N 2.83Å; H684-A688 WeakPolarHBondContact O-CB 3.32Å; H684-A688 PolarHBondContact O-N 3.4Å; H684-W698 HydrophobicContact CB-CZ2 4.18Å; H684-M703 HydrophobicContact CB-CE 4.01Å; H684-M703 WeakPolarHBondContact CD2-CE 3.47Å; H684-M703 VanDerWaalsContact CG-CE 3.44Å; H684-I711 HydrophobicContact CB-CD1 3.8Å
685L92.3Very high89.3Confident11 Ų1166 Ų666%0.05831%0.31CS..Hα-helixtrans-58.2-43.5170.8178.974.6000111.6V661 I681 L682 E687 W689 I711 V715V661-L685 HydrophobicContact CB-CD2 4.3Å; V661-L685 HydrophobicContact CG1-CD2 4.22Å; V661-L685 HydrophobicContact CG2-CD1 4.38Å; V661-L685 HydrophobicContact CG2-CD2 3.83Å; I681-L685 PolarHBondContact O-N 3.27Å; L682-L685 HydrophobicContact CD2-CD2 4.2Å; L685-E687 VanDerWaalsContact C-N 3.3Å; L685-E687 PolarHBondContact O-N 3.31Å; L685-W689 PolarHBondContact O-N 2.93Å; L685-W689 VanDerWaalsContact O-N 3.15Å; L685-I711 HydrophobicContact CB-CG1 4.48Å; L685-I711 HydrophobicContact CD1-CG2 4.2Å; L685-V715 HydrophobicContact CD1-CG2 4.25Å
686G92.5Very high90.2Very high25 Ų2562.9 Ų62.926%0.25830%0.297SS..Hα-helixtrans-62.1-37.8176.600000112.6L682 Q683 H684 R690L682-G686 PolarHBondContact O-N 3.25Å; L682-G686 VanDerWaalsContact O-N 3.14Å; Q683-G686 CarbonylContact O-C 3.5Å; Q683-G686 WeakPolarHBondContact O-CA 3.13Å; Q683-G686 PolarHBondContact O-N 2.94Å; Q683-G686 VanDerWaalsContact O-N 3.11Å; H684-G686 VanDerWaalsContact C-N 3.3Å; H684-G686 PolarHBondContact O-N 2.89Å; G686-R690 WeakPolarHBondContact O-CG 3.41Å; G686-R690 PolarHBondContact O-N 3.21Å
687E92.5Very high90.7Very high80 Ų8062.6 Ų62.637%0.37430%0.302SS..Hα-helixtrans-74.7-46.7178-168.855.7-152.900112.4Q683 H684 L685 W689 R690 C691Q683-E687 PolarHBondContact O-N 2.96Å; H684-E687 PolarHBondContact O-N 2.83Å; L685-E687 VanDerWaalsContact C-N 3.3Å; L685-E687 PolarHBondContact O-N 3.31Å; E687-W689 PolarHBondContact O-N 2.84Å; E687-R690 WeakPolarHBondContact O-CA 3.48Å; E687-R690 WeakPolarHBondContact O-CB 3.49Å; E687-R690 PolarHBondContact O-N 3.21Å; E687-R690 IonicContact OE2-CZ 3.26Å; E687-R690 IonicContact OE2-NH1 3.94Å; E687-R690 PolarHBondContact OE2-NH1 3.31Å; E687-C691 PolarHBondContact O-N 3.33Å; E687-C691 PolarHBondContact O-SG 2.98Å
688A93.8Very high91.1Very high3 Ų359 Ų593%0.02529%0.286CS..Hα-helixtrans-54.6-38.9175.700000111.8H684 W692 W698 I711 V715H684-A688 WeakPolarHBondContact O-CB 3.32Å; H684-A688 PolarHBondContact O-N 3.4Å; A688-W692 WeakPolarHBondContact O-CB 3.38Å; A688-W692 PolarHBondContact O-N 3.22Å; A688-W698 HydrophobicContact CB-CD2 3.55Å; A688-W698 HydrophobicContact CB-CE3 3.93Å; A688-W698 HydrophobicContact CB-CG 3.89Å; A688-W698 HydrophobicContact CB-CH2 4.42Å; A688-W698 HydrophobicContact CB-CZ2 4.09Å; A688-W698 HydrophobicContact CB-CZ3 4.33Å; A688-I711 HydrophobicContact CB-CG2 3.48Å; A688-I711 VanDerWaalsContact CB-CG2 3.48Å; A688-V715 HydrophobicContact CB-CG2 3.75Å
689W94.8Very high91.4Very high34 Ų3465 Ų6513%0.12931%0.309CS..Hα-helixtrans-66.8-34.7173.2175.2-118.2000113.9L685 E687 W692 K693 V715 K718 A719 W722L685-W689 PolarHBondContact O-N 2.93Å; L685-W689 VanDerWaalsContact O-N 3.15Å; E687-W689 PolarHBondContact O-N 2.84Å; W689-W692 HydrophobicContact CE3-CD2 4.43Å; W689-W692 AromaticContact CE3-CE3 3.86Å; W689-W692 HydrophobicContact CE3-CE3 3.86Å; W689-W692 AromaticContact CH2-CE3 3.69Å; W689-W692 HydrophobicContact CH2-CE3 3.69Å; W689-W692 AromaticContact CH2-CZ3 3.58Å; W689-W692 HydrophobicContact CH2-CZ3 3.58Å; W689-W692 AromaticContact CZ3-CD2 3.98Å; W689-W692 HydrophobicContact CZ3-CD2 3.98Å; W689-W692 AromaticContact CZ3-CE3 3.22Å; W689-W692 HydrophobicContact CZ3-CE3 3.22Å; W689-W692 AromaticContact CZ3-CZ3 3.55Å; W689-W692 HydrophobicContact CZ3-CZ3 3.55Å; W689-K693 HydrophobicContact CD2-CD 4.41Å; W689-K693 HydrophobicContact CD2-CG 4.43Å; W689-K693 HydrophobicContact CH2-CG 4.3Å; W689-K693 HydrophobicContact CZ2-CD 3.76Å; W689-K693 HydrophobicContact CZ2-CG 4Å; W689-K693 WeakPolarHBondContact O-CG 3.48Å; W689-K693 PolarHBondContact O-N 3.29Å; W689-K693 VanDerWaalsContact O-N 3.13Å; W689-V715 HydrophobicContact CE3-CG1 4.46Å; W689-K718 HydrophobicContact CD2-CD 3.64Å; W689-K718 HydrophobicContact CD2-CG 4.17Å; W689-K718 HydrophobicContact CE3-CB 4.28Å; W689-K718 HydrophobicContact CE3-CD 3.86Å; W689-K718 HydrophobicContact CE3-CG 3.97Å; W689-K718 HydrophobicContact CG-CD 4.06Å; W689-K718 HydrophobicContact CH2-CD 4.35Å; W689-K718 HydrophobicContact CH2-CG 3.86Å; W689-K718 HydrophobicContact CZ2-CD 4.15Å; W689-K718 HydrophobicContact CZ2-CG 4.06Å; W689-K718 HydrophobicContact CZ3-CB 4.13Å; W689-K718 HydrophobicContact CZ3-CD 4.2Å; W689-K718 HydrophobicContact CZ3-CG 3.8Å; W689-A719 HydrophobicContact CZ3-CB 4.3Å; W689-W722 HydrophobicContact CH2-CB 3.94Å; W689-W722 AromaticContact CH2-CG 3.98Å; W689-W722 HydrophobicContact CH2-CG 3.98Å; W689-W722 AromaticContact CZ2-CD1 3.89Å; W689-W722 HydrophobicContact CZ2-CG 4.28Å
690R93.1Very high91.6Very high148 Ų14857 Ų5756%0.55828%0.282SS*.Hα-helixtrans-69.5-46.6174.8-68.7178.6-162.41180.9110.7G686 E687 W692 K693 A694G686-R690 WeakPolarHBondContact O-CG 3.41Å; G686-R690 PolarHBondContact O-N 3.21Å; E687-R690 WeakPolarHBondContact O-CA 3.48Å; E687-R690 WeakPolarHBondContact O-CB 3.49Å; E687-R690 PolarHBondContact O-N 3.21Å; E687-R690 IonicContact OE2-CZ 3.26Å; E687-R690 IonicContact OE2-NH1 3.94Å; E687-R690 PolarHBondContact OE2-NH1 3.31Å; R690-W692 VanDerWaalsContact C-N 3.34Å; R690-W692 PolarHBondContact O-N 3.18Å; R690-K693 WeakPolarHBondContact O-CB 3.26Å; R690-K693 PolarHBondContact O-N 3.4Å; R690-K693 VanDerWaalsContact O-N 3.07Å; R690-A694 PolarHBondContact O-N 3.26Å
691C93.6Very high91.6Very high13 Ų1359.1 Ų59.19%0.08830%0.297CS..Hα-helixtrans-56.9-47.1174.7-64.50000111.1E687 K693 A694 N695 I696 W698E687-C691 PolarHBondContact O-N 3.33Å; E687-C691 PolarHBondContact O-SG 2.98Å; C691-K693 VanDerWaalsContact C-N 3.31Å; C691-K693 PolarHBondContact O-N 3.37Å; C691-A694 CarbonylContact O-C 3.27Å; C691-A694 PolarHBondContact O-N 3.29Å; C691-A694 VanDerWaalsContact O-N 3.11Å; C691-N695 PolarHBondContact O-N 3.21Å; C691-I696 CarbonylContact C-O 3.57Å; C691-I696 WeakPolarHBondContact CB-O 3.14Å; C691-I696 PolarHBondContact O-N 3.27Å; C691-W698 HydrophobicContact CB-CB 3.75Å; C691-W698 HydrophobicContact CB-CG 4.35Å
692W94.5Very high91.5Very high68 Ų6866.9 Ų66.926%0.25834%0.339SS..Hα-helixtrans-56.1-45.5174.3-177.184.5000111.1A688 W689 R690 A694 N695 V715 A719 W722 K757A688-W692 WeakPolarHBondContact O-CB 3.38Å; A688-W692 PolarHBondContact O-N 3.22Å; W689-W692 HydrophobicContact CE3-CD2 4.43Å; W689-W692 AromaticContact CE3-CE3 3.86Å; W689-W692 HydrophobicContact CE3-CE3 3.86Å; W689-W692 AromaticContact CH2-CE3 3.69Å; W689-W692 HydrophobicContact CH2-CE3 3.69Å; W689-W692 AromaticContact CH2-CZ3 3.58Å; W689-W692 HydrophobicContact CH2-CZ3 3.58Å; W689-W692 AromaticContact CZ3-CD2 3.98Å; W689-W692 HydrophobicContact CZ3-CD2 3.98Å; W689-W692 AromaticContact CZ3-CE3 3.22Å; W689-W692 HydrophobicContact CZ3-CE3 3.22Å; W689-W692 AromaticContact CZ3-CZ3 3.55Å; W689-W692 HydrophobicContact CZ3-CZ3 3.55Å; R690-W692 VanDerWaalsContact C-N 3.34Å; R690-W692 PolarHBondContact O-N 3.18Å; W692-A694 PolarHBondContact O-N 3.32Å; W692-N695 PolarHBondContact O-N 3.21Å; W692-V715 HydrophobicContact CB-CG1 3.83Å; W692-V715 HydrophobicContact CG-CG1 4.05Å; W692-A719 HydrophobicContact CD2-CB 4.04Å; W692-A719 VanDerWaalsContact CE2-CB 3.48Å; W692-A719 HydrophobicContact CE3-CB 4.32Å; W692-A719 HydrophobicContact CH2-CB 3.63Å; W692-A719 HydrophobicContact CZ2-CB 3.29Å; W692-A719 HydrophobicContact CZ3-CB 4.13Å; W692-W722 HydrophobicContact CH2-CE3 4.33Å; W692-W722 HydrophobicContact CZ3-CE3 4.42Å; W692-K757 VanDerWaalsContact O-CE 3.3Å; W692-K757 WeakPolarHBondContact O-CE 3.4Å; W692-K757 PolarHBondContact O-NZ 3.18Å
693K93.5Very high91.3Very high61 Ų6167.8 Ų67.827%0.26534%0.343SS..Hα-helixtrans-65.7-35.7177.9-76.7178.966.9-158.40113.7W689 R690 C691 R753 K757W689-K693 HydrophobicContact CD2-CD 4.41Å; W689-K693 HydrophobicContact CD2-CG 4.43Å; W689-K693 HydrophobicContact CH2-CG 4.3Å; W689-K693 HydrophobicContact CZ2-CD 3.76Å; W689-K693 HydrophobicContact CZ2-CG 4Å; W689-K693 WeakPolarHBondContact O-CG 3.48Å; W689-K693 PolarHBondContact O-N 3.29Å; W689-K693 VanDerWaalsContact O-N 3.13Å; R690-K693 WeakPolarHBondContact O-CB 3.26Å; R690-K693 PolarHBondContact O-N 3.4Å; R690-K693 VanDerWaalsContact O-N 3.07Å; C691-K693 VanDerWaalsContact C-N 3.31Å; C691-K693 PolarHBondContact O-N 3.37Å; K693-R753 PolarHBondContact O-NH1 2.94Å; K693-K757 PolarHBondContact O-NZ 3.41Å
694A91.6Very high91.1Very high6 Ų665 Ų655%0.0534%0.336CS..Hα-helixtrans-75.9-12176.900000113.1R690 C691 W692 I696 D993 M994R690-A694 PolarHBondContact O-N 3.26Å; C691-A694 CarbonylContact O-C 3.27Å; C691-A694 PolarHBondContact O-N 3.29Å; C691-A694 VanDerWaalsContact O-N 3.11Å; W692-A694 PolarHBondContact O-N 3.32Å; A694-I696 HydrophobicContact CB-CB 4.39Å; A694-I696 HydrophobicContact CB-CD1 3.8Å; A694-I696 HydrophobicContact CB-CG1 3.82Å; A694-I696 PolarHBondContact O-N 2.88Å; A694-D993 HydrophobicContact CB-CB 4.1Å; A694-D993 WeakPolarHBondContact CB-OD2 3.4Å; A694-M994 WeakPolarHBondContact O-CG 3.43Å
695N94Very high91Very high63 Ų6368.3 Ų68.334%0.33736%0.355SS..THydrogen-bonded Turntrans59.232.6-168.9-147.643.1000113.1C691 W692 K757 Q760 M994C691-N695 PolarHBondContact O-N 3.21Å; W692-N695 PolarHBondContact O-N 3.21Å; N695-K757 HydrophobicContact CB-CG 4.08Å; N695-K757 WeakPolarHBondContact OD1-CE 3.45Å; N695-Q760 PolarHBondContact ND2-OE1 3.18Å; N695-M994 HydrophobicContact CB-CE 4.03Å
696I90.5Very high90.8Very high93 Ų9371.6 Ų71.648%0.47738%0.377SS..  trans-93.8132.6172.8-64.3173.6000107.3C691 A694 W698C691-I696 CarbonylContact C-O 3.57Å; C691-I696 WeakPolarHBondContact CB-O 3.14Å; C691-I696 PolarHBondContact O-N 3.27Å; A694-I696 HydrophobicContact CB-CB 4.39Å; A694-I696 HydrophobicContact CB-CD1 3.8Å; A694-I696 HydrophobicContact CB-CG1 3.82Å; A694-I696 PolarHBondContact O-N 2.88Å; I696-W698 PolarHBondContact O-N 3.05Å
697P88.5Confident90.6Very high122 Ų12271.5 Ų71.579%0.79237%0.37SS*.  trans-62122.6174.825.7-33.4000110
698W91.5Very high90.5Very high36 Ų3668.7 Ų68.714%0.13636%0.357CS..  trans-92.311117817975.2000109.8H684 A688 C691 I696 V700 M703 E708 I711 L712H684-W698 HydrophobicContact CB-CZ2 4.18Å; A688-W698 HydrophobicContact CB-CD2 3.55Å; A688-W698 HydrophobicContact CB-CE3 3.93Å; A688-W698 HydrophobicContact CB-CG 3.89Å; A688-W698 HydrophobicContact CB-CH2 4.42Å; A688-W698 HydrophobicContact CB-CZ2 4.09Å; A688-W698 HydrophobicContact CB-CZ3 4.33Å; C691-W698 HydrophobicContact CB-CB 3.75Å; C691-W698 HydrophobicContact CB-CG 4.35Å; I696-W698 PolarHBondContact O-N 3.05Å; W698-V700 HydrophobicContact CZ2-CG2 3.63Å; W698-M703 HydrophobicContact CH2-SD 3.66Å; W698-M703 HydrophobicContact CZ2-CE 4.48Å; W698-M703 HydrophobicContact CZ2-SD 3.97Å; W698-E708 HydrophobicContact CH2-CG 4.4Å; W698-E708 HydrophobicContact CZ3-CG 3.9Å; W698-I711 HydrophobicContact CH2-CB 4.06Å; W698-I711 HydrophobicContact CH2-CD1 3.77Å; W698-I711 HydrophobicContact CH2-CG2 3.68Å; W698-I711 HydrophobicContact CZ2-CD1 4.2Å; W698-I711 HydrophobicContact CZ2-CG2 4.27Å; W698-I711 HydrophobicContact CZ3-CB 4.28Å; W698-I711 HydrophobicContact CZ3-CG2 3.8Å; W698-L712 HydrophobicContact CE3-CD2 4.03Å; W698-L712 HydrophobicContact CZ3-CD2 4.26Å; W698-L712 HydrophobicContact CZ3-CG 4.33Å
699K89.6Confident90.4Very high140 Ų14073.1 Ų73.161%0.60938%0.38SS*.  trans-138.7120.5171.3-171.168.2-178.5175.40109.1E708K699-E708 WeakPolarHBondContact CD-OE1 3.37Å; K699-E708 IonicContact NZ-OE1 3.71Å; K699-E708 PolarHBondContact NZ-OE1 2.83Å; K699-E708 IonicContact NZ-OE2 2.7Å; K699-E708 PolarHBondContact NZ-OE2 2.77Å
700V88.6Confident90.2Very high33 Ų3371.8 Ų71.820%0.238%0.375CS..  trans-99.1121.3175.4-179.90000108.1W698 N702 M703W698-V700 HydrophobicContact CZ2-CG2 3.63Å; V700-N702 PolarHBondContact O-N 3.15Å; V700-M703 HydrophobicContact CB-CB 4.15Å; V700-M703 HydrophobicContact CB-CE 3.98Å; V700-M703 HydrophobicContact CB-SD 4.36Å; V700-M703 HydrophobicContact CG1-CB 4.38Å; V700-M703 HydrophobicContact CG1-CE 3.92Å; V700-M703 HydrophobicContact CG2-CE 4.14Å; V700-M703 PolarHBondContact O-N 3.11Å
701P88.1Confident90.1Very high110 Ų11064.7 Ų64.771%0.71435%0.349SS*.THydrogen-bonded Turntrans-55.9136.1175.3-24.734.2000111.2M703P701-M703 VanDerWaalsContact C-N 3.29Å; P701-M703 PolarHBondContact O-N 3.12Å
702N86.4Confident90.1Very high172 Ų17267.8 Ų67.892%0.9236%0.364SS*.THydrogen-bonded Turntrans60.325.6175.6-54.1-27.2000116V700V700-N702 PolarHBondContact O-N 3.15Å
703M85.9Confident90Very high25 Ų2571.2 Ų71.212%0.12338%0.377CS..  trans-76.7137.9171.4-174.5157-76.300111.2H684 W698 V700 P701 I705 I707 E708 I711H684-M703 HydrophobicContact CB-CE 4.01Å; H684-M703 WeakPolarHBondContact CD2-CE 3.47Å; H684-M703 VanDerWaalsContact CG-CE 3.44Å; W698-M703 HydrophobicContact CH2-SD 3.66Å; W698-M703 HydrophobicContact CZ2-CE 4.48Å; W698-M703 HydrophobicContact CZ2-SD 3.97Å; V700-M703 HydrophobicContact CB-CB 4.15Å; V700-M703 HydrophobicContact CB-CE 3.98Å; V700-M703 HydrophobicContact CB-SD 4.36Å; V700-M703 HydrophobicContact CG1-CB 4.38Å; V700-M703 HydrophobicContact CG1-CE 3.92Å; V700-M703 HydrophobicContact CG2-CE 4.14Å; V700-M703 PolarHBondContact O-N 3.11Å; P701-M703 VanDerWaalsContact C-N 3.29Å; P701-M703 PolarHBondContact O-N 3.12Å; M703-I705 PolarHBondContact O-N 2.94Å; M703-I707 HydrophobicContact CG-CB 4.48Å; M703-I707 HydrophobicContact CG-CG2 4.43Å; M703-I707 HydrophobicContact SD-CG2 4.22Å; M703-E708 HydrophobicContact CG-CB 4.36Å; M703-I711 HydrophobicContact SD-CD1 4.17Å
704P86.6Confident90Very high73 Ų7370 Ų7047%0.47437%0.371SS..  trans-59.2126.9173.1-26.636.4000111.5P706 I707 E708P704-P706 VanDerWaalsContact C-N 3.29Å; P704-I707 HydrophobicContact CB-CB 4.4Å; P704-I707 HydrophobicContact CB-CD1 4.01Å; P704-I707 HydrophobicContact CB-CG1 4.16Å; P704-I707 HydrophobicContact CG-CD1 3.89Å; P704-I707 WeakPolarHBondContact O-CB 3.4Å; P704-I707 PolarHBondContact O-N 3.31Å; P704-E708 PolarHBondContact O-N 2.91Å
705I88.9Confident90.2Very high118 Ų11870.2 Ų70.261%0.60537%0.371SS*.Hα-helixtrans-51-40.9-179.3-59168.1000112.4M703 I707 E708 N709M703-I705 PolarHBondContact O-N 2.94Å; I705-I707 VanDerWaalsContact C-N 3.35Å; I705-I707 PolarHBondContact O-N 2.88Å; I705-E708 PolarHBondContact O-N 3.13Å; I705-N709 WeakPolarHBondContact O-CB 3.47Å; I705-N709 PolarHBondContact O-N 3.49Å
706P88.2Confident90.2Very high80 Ų8073.7 Ų73.752%0.51938%0.384SS..Hα-helixtrans-61.7-40.1176.4-24.735.5000113.5M668 P704 M710M668-P706 HydrophobicContact SD-CB 4.39Å; P704-P706 VanDerWaalsContact C-N 3.29Å; P706-M710 WeakPolarHBondContact O-CB 3.42Å; P706-M710 PolarHBondContact O-N 2.93Å
707I88.8Confident90.3Very high24 Ų2471.3 Ų71.312%0.12338%0.378CS..Hα-helixtrans-69.2-41.5178.2-62.6176000110M669 I681 M703 P704 I705 M710 I711M669-I707 HydrophobicContact CE-CD1 4.17Å; I681-I707 HydrophobicContact CD1-CD1 3.81Å; I681-I707 HydrophobicContact CD1-CG1 4.45Å; I681-I707 HydrophobicContact CD1-CG2 4.32Å; I681-I707 HydrophobicContact CG1-CD1 4.38Å; I681-I707 HydrophobicContact CG1-CG2 4.15Å; I681-I707 HydrophobicContact CG2-CG2 3.75Å; M703-I707 HydrophobicContact CG-CB 4.48Å; M703-I707 HydrophobicContact CG-CG2 4.43Å; M703-I707 HydrophobicContact SD-CG2 4.22Å; P704-I707 HydrophobicContact CB-CB 4.4Å; P704-I707 HydrophobicContact CB-CD1 4.01Å; P704-I707 HydrophobicContact CB-CG1 4.16Å; P704-I707 HydrophobicContact CG-CD1 3.89Å; P704-I707 WeakPolarHBondContact O-CB 3.4Å; P704-I707 PolarHBondContact O-N 3.31Å; I705-I707 VanDerWaalsContact C-N 3.35Å; I705-I707 PolarHBondContact O-N 2.88Å; I707-M710 HydrophobicContact CG2-CE 4.35Å; I707-M710 PolarHBondContact O-N 2.78Å; I707-I711 HydrophobicContact CG2-CD1 3.95Å; I707-I711 WeakPolarHBondContact O-CG1 3.48Å; I707-I711 PolarHBondContact O-N 3.34Å
708E90.9Very high90.7Very high20 Ų2066.7 Ų66.79%0.09335%0.345CS..Hα-helixtrans-59.4-51.3176.5-171.6176.8177.900111.3W698 K699 M703 P704 I705 M710 I711 L712W698-E708 HydrophobicContact CH2-CG 4.4Å; W698-E708 HydrophobicContact CZ3-CG 3.9Å; K699-E708 WeakPolarHBondContact CD-OE1 3.37Å; K699-E708 IonicContact NZ-OE1 3.71Å; K699-E708 PolarHBondContact NZ-OE1 2.83Å; K699-E708 IonicContact NZ-OE2 2.7Å; K699-E708 PolarHBondContact NZ-OE2 2.77Å; M703-E708 HydrophobicContact CG-CB 4.36Å; P704-E708 PolarHBondContact O-N 2.91Å; I705-E708 PolarHBondContact O-N 3.13Å; E708-M710 VanDerWaalsContact C-N 3.34Å; E708-M710 PolarHBondContact O-N 2.67Å; E708-I711 PolarHBondContact O-N 3.11Å; E708-L712 HydrophobicContact CG-CD1 4.26Å; E708-L712 WeakPolarHBondContact O-CG 3.43Å; E708-L712 PolarHBondContact O-N 3.44Å
709N91.2Very high90.8Very high96 Ų9665.2 Ų65.251%0.51334%0.341SS..Hα-helixtrans-61.9-40.5178.8-73.8-20.1000112.5I705 L712 R713I705-N709 WeakPolarHBondContact O-CB 3.47Å; I705-N709 PolarHBondContact O-N 3.49Å; N709-L712 PolarHBondContact O-N 3.27Å; N709-R713 WeakPolarHBondContact O-CB 3.5Å; N709-R713 PolarHBondContact O-N 2.69Å
710M89.2Confident91Very high6 Ų662.2 Ų62.23%0.0333%0.331CS..Hα-helixtrans-63-45.1175.7176.4-85.3-63.700111.4V661 D664 I665 M668 I681 P706 I707 E708 L712 R713 Y714V661-M710 HydrophobicContact CB-SD 4.34Å; V661-M710 HydrophobicContact CG1-CE 4.08Å; V661-M710 HydrophobicContact CG1-SD 3.71Å; V661-M710 HydrophobicContact CG2-SD 4.14Å; D664-M710 HydrophobicContact CB-CG 4.35Å; I665-M710 HydrophobicContact CD1-CE 4.15Å; I665-M710 HydrophobicContact CG1-CE 3.57Å; M668-M710 HydrophobicContact CE-CB 3.8Å; M668-M710 HydrophobicContact CE-CE 3.94Å; M668-M710 HydrophobicContact CE-CG 3.69Å; I681-M710 HydrophobicContact CG2-CE 3.89Å; P706-M710 WeakPolarHBondContact O-CB 3.42Å; P706-M710 PolarHBondContact O-N 2.93Å; I707-M710 HydrophobicContact CG2-CE 4.35Å; I707-M710 PolarHBondContact O-N 2.78Å; E708-M710 VanDerWaalsContact C-N 3.34Å; E708-M710 PolarHBondContact O-N 2.67Å; M710-L712 PolarHBondContact O-N 3.04Å; M710-R713 PolarHBondContact O-N 2.73Å; M710-Y714 HydrophobicContact CG-CD2 4.07Å; M710-Y714 HydrophobicContact CG-CE2 3.99Å; M710-Y714 VanDerWaalsContact O-CD2 3.26Å; M710-Y714 WeakPolarHBondContact O-CD2 3.36Å; M710-Y714 PolarHBondContact O-N 3.39Å; M710-Y714 HydrophobicContact SD-CD2 3.81Å; M710-Y714 HydrophobicContact SD-CE2 4.04Å
711I92.3Very high91.3Very high0 Ų063.6 Ų63.60%033%0.333CS..Hα-helixtrans-59.9-48.1175.4-73170.2000110.5I681 H684 L685 A688 W698 M703 I707 E708 R713 Y714 V715I681-I711 HydrophobicContact CG2-CD1 4.17Å; I681-I711 HydrophobicContact CG2-CG1 4.49Å; H684-I711 HydrophobicContact CB-CD1 3.8Å; L685-I711 HydrophobicContact CB-CG1 4.48Å; L685-I711 HydrophobicContact CD1-CG2 4.2Å; A688-I711 HydrophobicContact CB-CG2 3.48Å; A688-I711 VanDerWaalsContact CB-CG2 3.48Å; W698-I711 HydrophobicContact CH2-CB 4.06Å; W698-I711 HydrophobicContact CH2-CD1 3.77Å; W698-I711 HydrophobicContact CH2-CG2 3.68Å; W698-I711 HydrophobicContact CZ2-CD1 4.2Å; W698-I711 HydrophobicContact CZ2-CG2 4.27Å; W698-I711 HydrophobicContact CZ3-CB 4.28Å; W698-I711 HydrophobicContact CZ3-CG2 3.8Å; M703-I711 HydrophobicContact SD-CD1 4.17Å; I707-I711 HydrophobicContact CG2-CD1 3.95Å; I707-I711 WeakPolarHBondContact O-CG1 3.48Å; I707-I711 PolarHBondContact O-N 3.34Å; E708-I711 PolarHBondContact O-N 3.11Å; I711-R713 VanDerWaalsContact C-N 3.34Å; I711-R713 PolarHBondContact O-N 3.17Å; I711-Y714 PolarHBondContact O-N 2.81Å; I711-V715 HydrophobicContact CG2-CG2 4.05Å; I711-V715 WeakPolarHBondContact O-CB 3.49Å; I711-V715 VanDerWaalsContact O-CG2 3.24Å; I711-V715 WeakPolarHBondContact O-CG2 3.37Å; I711-V715 PolarHBondContact O-N 2.87Å
712L92.8Very high91.7Very high78 Ų7859.3 Ų59.341%0.40830%0.303SS..Hα-helixtrans-61-40.4-179.5-70.4175.4000112.3W698 E708 N709 M710 Y714 V715 K716W698-L712 HydrophobicContact CE3-CD2 4.03Å; W698-L712 HydrophobicContact CZ3-CD2 4.26Å; W698-L712 HydrophobicContact CZ3-CG 4.33Å; E708-L712 HydrophobicContact CG-CD1 4.26Å; E708-L712 WeakPolarHBondContact O-CG 3.43Å; E708-L712 PolarHBondContact O-N 3.44Å; N709-L712 PolarHBondContact O-N 3.27Å; M710-L712 PolarHBondContact O-N 3.04Å; L712-Y714 PolarHBondContact O-N 2.99Å; L712-V715 PolarHBondContact O-N 3.26Å; L712-K716 WeakPolarHBondContact O-CB 3.43Å; L712-K716 PolarHBondContact O-N 3.23Å
713R93.1Very high92.1Very high140 Ų14052.6 Ų52.653%0.52827%0.268SS..Hα-helixtrans-56.2-49.9174.2-179.9177.669.8-173.81.9111.6D664 N709 M710 I711 K716 A717D664-R713 IonicContact OD2-CZ 2.82Å; D664-R713 IonicContact OD2-NH2 3.89Å; D664-R713 PolarHBondContact OD2-NH2 3.43Å; N709-R713 WeakPolarHBondContact O-CB 3.5Å; N709-R713 PolarHBondContact O-N 2.69Å; M710-R713 PolarHBondContact O-N 2.73Å; I711-R713 VanDerWaalsContact C-N 3.34Å; I711-R713 PolarHBondContact O-N 3.17Å; R713-K716 PolarHBondContact O-N 2.79Å; R713-A717 PolarHBondContact O-N 2.77Å
714Y93.5Very high92.6Very high35 Ų3556.6 Ų56.614%0.13729%0.29CS..Hα-helixtrans-74.1-31-178.9-78.3-68000113.6L657 A660 V661 D664 M710 I711 L712 K718L657-Y714 HydrophobicContact CD1-CD1 3.45Å; L657-Y714 VanDerWaalsContact CD1-CD1 3.45Å; L657-Y714 HydrophobicContact CD1-CE1 4.25Å; L657-Y714 HydrophobicContact CD1-CG 4.13Å; A660-Y714 HydrophobicContact CB-CE1 3.95Å; V661-Y714 HydrophobicContact CB-CE2 4.47Å; V661-Y714 HydrophobicContact CG2-CD1 4.13Å; V661-Y714 HydrophobicContact CG2-CD2 3.3Å; V661-Y714 HydrophobicContact CG2-CE1 4.37Å; V661-Y714 HydrophobicContact CG2-CE2 3.58Å; V661-Y714 HydrophobicContact CG2-CG 3.58Å; D664-Y714 WeakPolarHBondContact OD2-CE2 3.3Å; D664-Y714 PolarHBondContact OD2-OH 2.92Å; M710-Y714 HydrophobicContact CG-CD2 4.07Å; M710-Y714 HydrophobicContact CG-CE2 3.99Å; M710-Y714 VanDerWaalsContact O-CD2 3.26Å; M710-Y714 WeakPolarHBondContact O-CD2 3.36Å; M710-Y714 PolarHBondContact O-N 3.39Å; M710-Y714 HydrophobicContact SD-CD2 3.81Å; M710-Y714 HydrophobicContact SD-CE2 4.04Å; I711-Y714 PolarHBondContact O-N 2.81Å; L712-Y714 PolarHBondContact O-N 2.99Å; Y714-K718 WeakPolarHBondContact O-CB 3.43Å; Y714-K718 PolarHBondContact O-N 3.37Å
715V94.7Very high92.9Very high10 Ų1054.7 Ų54.76%0.06128%0.277CS..Hα-helixtrans-63.9-42.9171.5169.50000110.4L685 A688 W689 W692 I711 L712 K718 A719L685-V715 HydrophobicContact CD1-CG2 4.25Å; A688-V715 HydrophobicContact CB-CG2 3.75Å; W689-V715 HydrophobicContact CE3-CG1 4.46Å; W692-V715 HydrophobicContact CB-CG1 3.83Å; W692-V715 HydrophobicContact CG-CG1 4.05Å; I711-V715 HydrophobicContact CG2-CG2 4.05Å; I711-V715 WeakPolarHBondContact O-CB 3.49Å; I711-V715 VanDerWaalsContact O-CG2 3.24Å; I711-V715 WeakPolarHBondContact O-CG2 3.37Å; I711-V715 PolarHBondContact O-N 2.87Å; L712-V715 PolarHBondContact O-N 3.26Å; V715-K718 PolarHBondContact O-N 3.46Å; V715-A719 WeakPolarHBondContact O-CB 3.46Å; V715-A719 PolarHBondContact O-N 3.23Å
716K94.4Very high93.2Very high136 Ų13649.1 Ų49.159%0.59125%0.248SC*.Hα-helixtrans-62.9-48.5174.9-174.9177.8174.5720112L712 R713 K718 A719 D720L712-K716 WeakPolarHBondContact O-CB 3.43Å; L712-K716 PolarHBondContact O-N 3.23Å; R713-K716 PolarHBondContact O-N 2.79Å; K716-K718 VanDerWaalsContact C-N 3.27Å; K716-K718 PolarHBondContact O-N 3.14Å; K716-A719 WeakPolarHBondContact O-CA 3.48Å; K716-A719 VanDerWaalsContact O-CB 3.29Å; K716-A719 WeakPolarHBondContact O-CB 3.24Å; K716-A719 PolarHBondContact O-N 2.62Å; K716-D720 PolarHBondContact O-N 3.19Å
717A93.3Very high93.5Very high43 Ų4350.4 Ų50.436%0.35525%0.247SC..Hα-helixtrans-57.2-41.4176.600000112.2Y653 R713 W721Y653-A717 PolarHBondContact OH-O 3.3Å; R713-A717 PolarHBondContact O-N 2.77Å; A717-W721 PolarHBondContact O-N 3.44Å
718K95.7Very high93.7Very high25 Ų2555.7 Ų55.711%0.10927%0.267CS..Hα-helixtrans-67.2-36174.8-172.1171.2-165.6164.70112.9Y653 D654 L657 W689 Y714 V715 K716 W722Y653-K718 HydrophobicContact CE1-CB 4.42Å; Y653-K718 HydrophobicContact CE1-CG 4.08Å; D654-K718 WeakPolarHBondContact OD1-CE 3.38Å; D654-K718 IonicContact OD1-NZ 2.95Å; D654-K718 PolarHBondContact OD1-NZ 3.08Å; L657-K718 HydrophobicContact CD2-CB 4.43Å; L657-K718 HydrophobicContact CD2-CD 3.77Å; W689-K718 HydrophobicContact CD2-CD 3.64Å; W689-K718 HydrophobicContact CD2-CG 4.17Å; W689-K718 HydrophobicContact CE3-CB 4.28Å; W689-K718 HydrophobicContact CE3-CD 3.86Å; W689-K718 HydrophobicContact CE3-CG 3.97Å; W689-K718 HydrophobicContact CG-CD 4.06Å; W689-K718 HydrophobicContact CH2-CD 4.35Å; W689-K718 HydrophobicContact CH2-CG 3.86Å; W689-K718 HydrophobicContact CZ2-CD 4.15Å; W689-K718 HydrophobicContact CZ2-CG 4.06Å; W689-K718 HydrophobicContact CZ3-CB 4.13Å; W689-K718 HydrophobicContact CZ3-CD 4.2Å; W689-K718 HydrophobicContact CZ3-CG 3.8Å; Y714-K718 WeakPolarHBondContact O-CB 3.43Å; Y714-K718 PolarHBondContact O-N 3.37Å; V715-K718 PolarHBondContact O-N 3.46Å; K716-K718 VanDerWaalsContact C-N 3.27Å; K716-K718 PolarHBondContact O-N 3.14Å; K718-W722 VanDerWaalsContact O-CB 3.23Å; K718-W722 WeakPolarHBondContact O-CB 3.47Å; K718-W722 PolarHBondContact O-N 3.16Å
719A94.2Very high93.9Very high5 Ų555.3 Ų55.34%0.04127%0.265CS..Hα-helixtrans-62.4-48.8174.700000111.7W689 W692 V715 K716 W721 W722 T723W689-A719 HydrophobicContact CZ3-CB 4.3Å; W692-A719 HydrophobicContact CD2-CB 4.04Å; W692-A719 VanDerWaalsContact CE2-CB 3.48Å; W692-A719 HydrophobicContact CE3-CB 4.32Å; W692-A719 HydrophobicContact CH2-CB 3.63Å; W692-A719 HydrophobicContact CZ2-CB 3.29Å; W692-A719 HydrophobicContact CZ3-CB 4.13Å; V715-A719 WeakPolarHBondContact O-CB 3.46Å; V715-A719 PolarHBondContact O-N 3.23Å; K716-A719 WeakPolarHBondContact O-CA 3.48Å; K716-A719 VanDerWaalsContact O-CB 3.29Å; K716-A719 WeakPolarHBondContact O-CB 3.24Å; K716-A719 PolarHBondContact O-N 2.62Å; A719-W721 PolarHBondContact O-N 2.95Å; A719-W722 WeakPolarHBondContact O-CB 3.12Å; A719-W722 PolarHBondContact O-N 2.8Å; A719-W722 VanDerWaalsContact O-N 3.09Å; A719-T723 PolarHBondContact O-N 3.4Å; A719-T723 PolarHBondContact O-OG1 3.26Å; A719-T723 VanDerWaalsContact O-OG1 3.11Å
720D94.8Very high94Very high77 Ų7752.3 Ų52.341%0.41225%0.246SC..Hα-helixtrans-61-46.8-179.6-63.2-24.8000111.2K716 W722 T723 N724K716-D720 PolarHBondContact O-N 3.19Å; D720-W722 VanDerWaalsContact C-N 3.29Å; D720-W722 PolarHBondContact O-N 2.8Å; D720-T723 PolarHBondContact O-N 3.06Å; D720-N724 WeakPolarHBondContact O-CB 3.49Å; D720-N724 VanDerWaalsContact O-CG 3.3Å; D720-N724 PolarHBondContact O-N 3.15Å; D720-N724 PolarHBondContact O-ND2 3.33Å
721W94.5Very high94.1Very high62 Ų6255.2 Ų55.224%0.23526%0.26CS..Hα-helixtrans-57.4-42.9173.7171.583.5000112.3E650 Y653 A717 A719 T725E650-W721 HydrophobicContact CB-CH2 4.48Å; E650-W721 HydrophobicContact CG-CH2 4.06Å; Y653-W721 HydrophobicContact CD1-CD2 4.37Å; Y653-W721 HydrophobicContact CD1-CE3 4.27Å; Y653-W721 HydrophobicContact CD1-CZ3 4.36Å; Y653-W721 HydrophobicContact CD2-CD2 4.38Å; Y653-W721 HydrophobicContact CD2-CG 4.45Å; Y653-W721 HydrophobicContact CE1-CD2 4.17Å; Y653-W721 HydrophobicContact CE1-CE3 4.08Å; Y653-W721 HydrophobicContact CE1-CG 4.44Å; Y653-W721 HydrophobicContact CE2-CB 4.3Å; Y653-W721 AromaticContact CE2-CD1 3.88Å; Y653-W721 HydrophobicContact CE2-CD2 4.15Å; Y653-W721 AromaticContact CE2-CG 3.86Å; Y653-W721 HydrophobicContact CE2-CG 3.86Å; Y653-W721 HydrophobicContact CG-CD2 4.48Å; Y653-W721 HydrophobicContact CG-CZ2 4.37Å; Y653-W721 AromaticContact CZ-CG 3.86Å; A717-W721 PolarHBondContact O-N 3.44Å; A719-W721 PolarHBondContact O-N 2.95Å; W721-T725 VanDerWaalsContact O-CB 3.25Å; W721-T725 WeakPolarHBondContact O-CB 3.37Å; W721-T725 PolarHBondContact O-N 2.93Å; W721-T725 VanDerWaalsContact O-N 3.1Å; W721-T725 PolarHBondContact O-OG1 2.74Å
722W95.8Very high94.1Very high21 Ų2158.3 Ų58.38%0.0827%0.272CS..Hα-helixtrans-68.3-40.6-177.2-174.1101.1000112.2W689 W692 K718 A719 D720 A726 R750 R753 L754W689-W722 HydrophobicContact CH2-CB 3.94Å; W689-W722 AromaticContact CH2-CG 3.98Å; W689-W722 HydrophobicContact CH2-CG 3.98Å; W689-W722 AromaticContact CZ2-CD1 3.89Å; W689-W722 HydrophobicContact CZ2-CG 4.28Å; W692-W722 HydrophobicContact CH2-CE3 4.33Å; W692-W722 HydrophobicContact CZ3-CE3 4.42Å; K718-W722 VanDerWaalsContact O-CB 3.23Å; K718-W722 WeakPolarHBondContact O-CB 3.47Å; K718-W722 PolarHBondContact O-N 3.16Å; A719-W722 WeakPolarHBondContact O-CB 3.12Å; A719-W722 PolarHBondContact O-N 2.8Å; A719-W722 VanDerWaalsContact O-N 3.09Å; D720-W722 VanDerWaalsContact C-N 3.29Å; D720-W722 PolarHBondContact O-N 2.8Å; W722-A726 PolarHBondContact O-N 3.31Å; W722-A726 VanDerWaalsContact O-N 3.12Å; W722-R750 HydrophobicContact CD2-CG 4.35Å; W722-R750 VanDerWaalsContact CE2-CD 3.43Å; W722-R750 HydrophobicContact CH2-CB 3.33Å; W722-R750 HydrophobicContact CH2-CG 3.74Å; W722-R750 VanDerWaalsContact CH2-O 3.32Å; W722-R750 WeakPolarHBondContact CH2-O 3.47Å; W722-R750 HydrophobicContact CZ2-CB 3.45Å; W722-R750 VanDerWaalsContact CZ2-CB 3.45Å; W722-R750 HydrophobicContact CZ2-CG 3.25Å; W722-R750 HydrophobicContact CZ3-CB 3.9Å; W722-R750 HydrophobicContact CZ3-CG 4.4Å; W722-R750 PolarHBondContact O-NH1 3.21Å; W722-R753 HydrophobicContact CH2-CB 4.29Å; W722-L754 HydrophobicContact CH2-CG 4.4Å; W722-L754 HydrophobicContact CZ3-CD1 4.01Å; W722-L754 HydrophobicContact CZ3-CD2 3.9Å; W722-L754 HydrophobicContact CZ3-CG 3.76Å
723T95.8Very high94.1Very high31 Ų3154.6 Ų54.619%0.1925%0.252CS..Hα-helixtrans-71.4-48.5179.3-60.80000111.6A719 D720 T725 A726 H727 L754A719-T723 PolarHBondContact O-N 3.4Å; A719-T723 PolarHBondContact O-OG1 3.26Å; A719-T723 VanDerWaalsContact O-OG1 3.11Å; D720-T723 PolarHBondContact O-N 3.06Å; T723-T725 VanDerWaalsContact C-N 3.26Å; T723-T725 PolarHBondContact O-N 3.49Å; T723-A726 WeakPolarHBondContact O-CA 3.34Å; T723-A726 VanDerWaalsContact O-CB 3.28Å; T723-A726 WeakPolarHBondContact O-CB 3.41Å; T723-A726 PolarHBondContact O-N 3.11Å; T723-H727 PolarHBondContact O-CD2 3.19Å; T723-H727 VanDerWaalsContact O-CD2 3.23Å; T723-H727 PolarHBondContact O-N 3.44Å; T723-L754 HydrophobicContact CG2-CD1 4.28Å; T723-L754 HydrophobicContact CG2-CD2 4.46Å
724N95Very high94Very high109 Ų10954 Ų5458%0.58325%0.25SS*.Hα-helixtrans-58.5-40.2175.7-72.5-23.9000111.7D720 A726 H727 Y728D720-N724 WeakPolarHBondContact O-CB 3.49Å; D720-N724 VanDerWaalsContact O-CG 3.3Å; D720-N724 PolarHBondContact O-N 3.15Å; D720-N724 PolarHBondContact O-ND2 3.33Å; N724-A726 VanDerWaalsContact C-N 3.3Å; N724-A726 PolarHBondContact O-N 3.1Å; N724-H727 PolarHBondContact O-N 3.02Å; N724-Y728 VanDerWaalsContact O-CB 3.3Å; N724-Y728 WeakPolarHBondContact O-CB 3.5Å; N724-Y728 PolarHBondContact O-N 3.09Å
725T94.5Very high93.7Very high33 Ų3360 Ų6020%0.20227%0.273CS..Hα-helixtrans-64.4-33.7173.7-61.30000112.1W721 T723 N729 R750W721-T725 VanDerWaalsContact O-CB 3.25Å; W721-T725 WeakPolarHBondContact O-CB 3.37Å; W721-T725 PolarHBondContact O-N 2.93Å; W721-T725 VanDerWaalsContact O-N 3.1Å; W721-T725 PolarHBondContact O-OG1 2.74Å; T723-T725 VanDerWaalsContact C-N 3.26Å; T723-T725 PolarHBondContact O-N 3.49Å; T725-N729 VanDerWaalsContact CG2-ND2 3.3Å; T725-N729 WeakPolarHBondContact CG2-ND2 3.33Å; T725-N729 WeakPolarHBondContact O-CB 3.43Å; T725-N729 VanDerWaalsContact O-CG 3.29Å; T725-N729 PolarHBondContact O-N 2.61Å; T725-N729 VanDerWaalsContact O-N 3.1Å; T725-N729 PolarHBondContact O-ND2 3.34Å; T725-R750 VanDerWaalsContact CB-NH1 3.31Å
726A94.5Very high93.2Very high0 Ų061.3 Ų61.30%029%0.287CS..Hα-helixtrans-67.3-49.4175.600000111.3W722 T723 N724 N729 R730 N747 R750 L754W722-A726 PolarHBondContact O-N 3.31Å; W722-A726 VanDerWaalsContact O-N 3.12Å; T723-A726 WeakPolarHBondContact O-CA 3.34Å; T723-A726 VanDerWaalsContact O-CB 3.28Å; T723-A726 WeakPolarHBondContact O-CB 3.41Å; T723-A726 PolarHBondContact O-N 3.11Å; N724-A726 VanDerWaalsContact C-N 3.3Å; N724-A726 PolarHBondContact O-N 3.1Å; A726-N729 PolarHBondContact O-N 3.19Å; A726-R730 WeakPolarHBondContact O-CB 3.43Å; A726-R730 PolarHBondContact O-N 2.93Å; A726-N747 WeakPolarHBondContact CA-OD1 3.38Å; A726-N747 PolarHBondContact O-OD1 2.81Å; A726-R750 HydrophobicContact CB-CB 3.99Å; A726-L754 HydrophobicContact CB-CD1 4.29Å
727H94.5Very high92.9Very high107 Ų10756.7 Ų56.750%0.49528%0.275SS..Hα-helixtrans-62.4-45.5177.5-67.8-70.4000112.5T723 N724 N729 R730 E731T723-H727 PolarHBondContact O-CD2 3.19Å; T723-H727 VanDerWaalsContact O-CD2 3.23Å; T723-H727 PolarHBondContact O-N 3.44Å; N724-H727 PolarHBondContact O-N 3.02Å; H727-N729 PolarHBondContact O-N 2.81Å; H727-R730 PolarHBondContact O-N 3.42Å; H727-R730 VanDerWaalsContact O-N 3.14Å; H727-E731 PolarHBondContact O-N 3.13Å
728Y93.1Very high92.5Very high136 Ų13661 Ų6153%0.53330%0.297SS..Hα-helixtrans-59.1-45.2177.1174.9-99.4000112.5N724 R732N724-Y728 VanDerWaalsContact O-CB 3.3Å; N724-Y728 WeakPolarHBondContact O-CB 3.5Å; N724-Y728 PolarHBondContact O-N 3.09Å; Y728-R732 HydrophobicContact CE1-CG 4.42Å; Y728-R732 VanDerWaalsContact CZ-CD 3.46Å; Y728-R732 WeakPolarHBondContact O-CG 3.31Å; Y728-R732 PolarHBondContact O-N 2.82Å; Y728-R732 PolarHBondContact OH-NH1 3.31Å
729N94.1Very high92Very high12 Ų1260.6 Ų60.66%0.06430%0.297CS..Hα-helixtrans-69.8-35.3177-72.6-51000111.6T725 A726 H727 R732 I733 V743T725-N729 VanDerWaalsContact CG2-ND2 3.3Å; T725-N729 WeakPolarHBondContact CG2-ND2 3.33Å; T725-N729 WeakPolarHBondContact O-CB 3.43Å; T725-N729 VanDerWaalsContact O-CG 3.29Å; T725-N729 PolarHBondContact O-N 2.61Å; T725-N729 VanDerWaalsContact O-N 3.1Å; T725-N729 PolarHBondContact O-ND2 3.34Å; A726-N729 PolarHBondContact O-N 3.19Å; H727-N729 PolarHBondContact O-N 2.81Å; N729-R732 PolarHBondContact O-N 3.45Å; N729-I733 WeakPolarHBondContact O-CD1 3.26Å; N729-I733 WeakPolarHBondContact O-CG1 3Å; N729-I733 PolarHBondContact O-N 3.22Å; N729-V743 HydrophobicContact CB-CG1 4.08Å
730R94.4Very high91.6Very high32 Ų3264.8 Ų64.812%0.12132%0.318CS..Hα-helixtrans-60.8-48.1176.5-179.449.8176.2-166.6-4.9111.1A726 H727 R732 I733 R734 L751 D872 Y874 S875 H876A726-R730 WeakPolarHBondContact O-CB 3.43Å; A726-R730 PolarHBondContact O-N 2.93Å; H727-R730 PolarHBondContact O-N 3.42Å; H727-R730 VanDerWaalsContact O-N 3.14Å; R730-R732 VanDerWaalsContact C-N 3.28Å; R730-R732 PolarHBondContact O-N 2.89Å; R730-I733 WeakPolarHBondContact O-CB 3.33Å; R730-I733 PolarHBondContact O-N 3.34Å; R730-I733 VanDerWaalsContact O-N 3.08Å; R730-R734 PolarHBondContact O-N 3.16Å; R730-L751 HydrophobicContact CB-CD1 4.35Å; R730-L751 HydrophobicContact CG-CD1 4.09Å; R730-D872 IonicContact CZ-OD1 3Å; R730-D872 IonicContact NH1-OD1 3.05Å; R730-D872 PolarHBondContact NH1-OD1 2.83Å; R730-Y874 PolarHBondContact NH1-O 3.37Å; R730-S875 PolarHBondContact NH2-O 2.57Å; R730-H876 PolarHBondContact NH2-O 3.29Å
731E91.8Very high91.2Very high67 Ų6764.7 Ų64.731%0.31331%0.314SS..Hα-helixtrans-64.2-35.3179.8-179.451.6-150.100112.2H727 R734 R735H727-E731 PolarHBondContact O-N 3.13Å; E731-R734 PolarHBondContact O-N 2.7Å; E731-R734 IonicContact OE1-CZ 3.09Å; E731-R734 IonicContact OE1-NE 3.33Å; E731-R734 PolarHBondContact OE1-NE 2.94Å; E731-R734 IonicContact OE1-NH2 3.85Å; E731-R734 PolarHBondContact OE1-NH2 2.95Å; E731-R734 IonicContact OE2-CZ 2.69Å; E731-R734 IonicContact OE2-NE 3.93Å; E731-R734 PolarHBondContact OE2-NE 3.44Å; E731-R734 IonicContact OE2-NH2 3.27Å; E731-R734 PolarHBondContact OE2-NH2 2.86Å; E731-R735 WeakPolarHBondContact O-CG 3.47Å; E731-R735 PolarHBondContact O-N 3.36Å; E731-R735 VanDerWaalsContact O-N 3.07Å; E731-R735 WeakPolarHBondContact OE1-CD 3.22Å; E731-R735 WeakPolarHBondContact OE1-CG 3.48Å; E731-R735 IonicContact OE1-NE 3.01Å; E731-R735 PolarHBondContact OE1-NE 3.39Å
732R92.4Very high90.9Very high65 Ų6565.2 Ų65.225%0.24532%0.324CS..Hα-helixtrans-66.1-39.8172.2-74-179.360.3170.4-1.8113.1Y728 N729 R730 G736 A737 T738 V739Y728-R732 HydrophobicContact CE1-CG 4.42Å; Y728-R732 VanDerWaalsContact CZ-CD 3.46Å; Y728-R732 WeakPolarHBondContact O-CG 3.31Å; Y728-R732 PolarHBondContact O-N 2.82Å; Y728-R732 PolarHBondContact OH-NH1 3.31Å; N729-R732 PolarHBondContact O-N 3.45Å; R730-R732 VanDerWaalsContact C-N 3.28Å; R730-R732 PolarHBondContact O-N 2.89Å; R732-G736 PolarHBondContact O-N 3.06Å; R732-A737 HydrophobicContact CB-CB 4.24Å; R732-A737 WeakPolarHBondContact O-CB 3.48Å; R732-A737 PolarHBondContact O-N 2.93Å; R732-T738 PolarHBondContact NH2-O 3.21Å; R732-V739 HydrophobicContact CB-CG1 4.07Å
733I92.4Very high90.7Very high0 Ų065.2 Ų65.20%033%0.326CS..Hα-helixtrans-65.1-43.9175.8-69.5163.7000109.5N729 R730 G736 V739 C744 N747 Y874 R1219N729-I733 WeakPolarHBondContact O-CD1 3.26Å; N729-I733 WeakPolarHBondContact O-CG1 3Å; N729-I733 PolarHBondContact O-N 3.22Å; R730-I733 WeakPolarHBondContact O-CB 3.33Å; R730-I733 PolarHBondContact O-N 3.34Å; R730-I733 VanDerWaalsContact O-N 3.08Å; I733-G736 PolarHBondContact O-N 3.21Å; I733-V739 HydrophobicContact CG1-CB 4.43Å; I733-V739 HydrophobicContact CG1-CG1 4.08Å; I733-V739 HydrophobicContact CG1-CG2 4.22Å; I733-C744 HydrophobicContact CD1-CB 4.38Å; I733-N747 HydrophobicContact CD1-CB 3.97Å; I733-Y874 HydrophobicContact CG2-CD1 3.63Å; I733-Y874 HydrophobicContact CG2-CG 4.1Å; I733-R1219 VanDerWaalsContact O-CZ 3.28Å; I733-R1219 PolarHBondContact O-NH1 2.98Å; I733-R1219 PolarHBondContact O-NH2 3.04Å
734R90.5Very high90.4Very high129 Ų12964.2 Ų64.249%0.48732%0.321SS..Hα-helixtrans-58-50.9178.4-168.5-175.472.997.21.8111.9R730 E731 G736 Y874R730-R734 PolarHBondContact O-N 3.16Å; E731-R734 PolarHBondContact O-N 2.7Å; E731-R734 IonicContact OE1-CZ 3.09Å; E731-R734 IonicContact OE1-NE 3.33Å; E731-R734 PolarHBondContact OE1-NE 2.94Å; E731-R734 IonicContact OE1-NH2 3.85Å; E731-R734 PolarHBondContact OE1-NH2 2.95Å; E731-R734 IonicContact OE2-CZ 2.69Å; E731-R734 IonicContact OE2-NE 3.93Å; E731-R734 PolarHBondContact OE2-NE 3.44Å; E731-R734 IonicContact OE2-NH2 3.27Å; E731-R734 PolarHBondContact OE2-NH2 2.86Å; R734-G736 PolarHBondContact O-N 2.82Å; R734-G736 VanDerWaalsContact O-N 3.1Å; R734-Y874 WeakPolarHBondContact CA-O 3.14Å
735R86.5Confident90.1Very high161 Ų16166.1 Ų66.161%0.60832%0.324SS*.THydrogen-bonded Turntrans-67.9-6.1178.9-69.8-173.9-70.5165.7-8.4115.5E731 A737E731-R735 WeakPolarHBondContact O-CG 3.47Å; E731-R735 PolarHBondContact O-N 3.36Å; E731-R735 VanDerWaalsContact O-N 3.07Å; E731-R735 WeakPolarHBondContact OE1-CD 3.22Å; E731-R735 WeakPolarHBondContact OE1-CG 3.48Å; E731-R735 IonicContact OE1-NE 3.01Å; E731-R735 PolarHBondContact OE1-NE 3.39Å; R735-A737 VanDerWaalsContact C-N 3.32Å; R735-A737 PolarHBondContact O-N 3.03Å
736G85Confident90Very high36 Ų3669.1 Ų69.137%0.37133%0.334SS..THydrogen-bonded Turntrans74.220.4-17600000114.6R732 I733 R734R732-G736 PolarHBondContact O-N 3.06Å; I733-G736 PolarHBondContact O-N 3.21Å; R734-G736 PolarHBondContact O-N 2.82Å; R734-G736 VanDerWaalsContact O-N 3.1Å
737A87.6Confident90Very high39 Ų3969.2 Ų69.232%0.32233%0.334SS..  trans-63.7165.6178.100000111.8R732 R735 V739R732-A737 HydrophobicContact CB-CB 4.24Å; R732-A737 WeakPolarHBondContact O-CB 3.48Å; R732-A737 PolarHBondContact O-N 2.93Å; R735-A737 VanDerWaalsContact C-N 3.32Å; R735-A737 PolarHBondContact O-N 3.03Å; A737-V739 PolarHBondContact O-N 3.01Å
738T85.4Confident90Very high133 Ų13366 Ų6682%0.81632%0.321SS*.  trans-67111.7174.4-53.70000109.8R732R732-T738 PolarHBondContact NH2-O 3.21Å
739V86.4Confident90Very high18 Ų1860.4 Ų60.411%0.10930%0.304CS..  trans-129147.7-179.9-66.10000109.5R732 I733 A737 M1223R732-V739 HydrophobicContact CB-CG1 4.07Å; I733-V739 HydrophobicContact CG1-CB 4.43Å; I733-V739 HydrophobicContact CG1-CG1 4.08Å; I733-V739 HydrophobicContact CG1-CG2 4.22Å; A737-V739 PolarHBondContact O-N 3.01Å; V739-M1223 HydrophobicContact CG2-CE 4.05Å
740D84.2Confident90Very high93 Ų9360.7 Ų60.750%0.49731%0.305SS..  trans-79.6146.5175.4-175.220.6000110.6T742 V743 C744D740-T742 PolarHBondContact O-N 3.17Å; D740-T742 PolarHBondContact OD2-OG1 3.46Å; D740-V743 HydrophobicContact CB-CB 4.42Å; D740-V743 HydrophobicContact CB-CG2 4.02Å; D740-V743 WeakPolarHBondContact O-CB 3.35Å; D740-V743 PolarHBondContact O-N 2.88Å; D740-C744 PolarHBondContact O-N 3.24Å
741K86.1Confident90Very high74 Ų7460.3 Ų60.332%0.32231%0.305SS..Hα-helixtrans-57-36.4177.9178.6177-178.8160.90111.8V743 K745 M1223 A1224K741-V743 VanDerWaalsContact C-N 3.34Å; K741-K745 PolarHBondContact O-N 3.33Å; K741-M1223 HydrophobicContact CB-SD 4.27Å; K741-M1223 VanDerWaalsContact CD-O 3.25Å; K741-M1223 WeakPolarHBondContact CD-O 3.24Å; K741-M1223 WeakPolarHBondContact CE-O 3.31Å; K741-M1223 PolarHBondContact NZ-O 2.93Å; K741-A1224 PolarHBondContact NZ-O 2.78Å
742T88.6Confident90.1Very high74 Ų7457.2 Ų57.245%0.45429%0.291SS..Hα-helixtrans-69-34.5177.968.50000111.9D740 K745 K746D740-T742 PolarHBondContact O-N 3.17Å; D740-T742 PolarHBondContact OD2-OG1 3.46Å; T742-K745 PolarHBondContact O-N 3.5Å; T742-K746 WeakPolarHBondContact O-CB 3.2Å; T742-K746 WeakPolarHBondContact O-CG 3.22Å; T742-K746 PolarHBondContact O-N 3.41Å
743V91.1Very high90.2Very high20 Ų2055.2 Ų55.212%0.12128%0.283CS..Hα-helixtrans-66.6-41.8178173.50000110.5N729 D740 K741 K745 K746 N747N729-V743 HydrophobicContact CB-CG1 4.08Å; D740-V743 HydrophobicContact CB-CB 4.42Å; D740-V743 HydrophobicContact CB-CG2 4.02Å; D740-V743 WeakPolarHBondContact O-CB 3.35Å; D740-V743 PolarHBondContact O-N 2.88Å; K741-V743 VanDerWaalsContact C-N 3.34Å; V743-K745 PolarHBondContact O-N 2.96Å; V743-K746 PolarHBondContact O-N 3.47Å; V743-N747 WeakPolarHBondContact O-CB 3.36Å; V743-N747 PolarHBondContact O-N 3.45Å
744C89.9Confident90.3Very high10 Ų1056.9 Ų56.97%0.06829%0.292CS..Hα-helixtrans-58.1-47.2174.5-60.40000111.8I733 D740 N747 L748I733-C744 HydrophobicContact CD1-CB 4.38Å; D740-C744 PolarHBondContact O-N 3.24Å; C744-N747 PolarHBondContact O-N 3.04Å; C744-L748 WeakPolarHBondContact O-CB 3.47Å; C744-L748 PolarHBondContact O-N 2.67Å
745K90Very high90.5Very high149 Ų14953.8 Ų53.865%0.64828%0.28SS*.Hα-helixtrans-64.5-42.5178.1-69.9-171.3172.8-162.80113.1K741 T742 V743 G749K741-K745 PolarHBondContact O-N 3.33Å; T742-K745 PolarHBondContact O-N 3.5Å; V743-K745 PolarHBondContact O-N 2.96Å; K745-G749 PolarHBondContact O-N 2.98Å; K745-G749 VanDerWaalsContact O-N 3.14Å
746K92.4Very high90.8Very high96 Ų9646.1 Ų46.142%0.41725%0.252SS..Hα-helixtrans-60.7-50.4175.1-79.8-178.7166.4-1690109.6E650 T742 V743 L748 G749 R750E650-K746 IonicContact OE1-NZ 2.65Å; E650-K746 PolarHBondContact OE1-NZ 3Å; E650-K746 IonicContact OE2-NZ 2.99Å; E650-K746 PolarHBondContact OE2-NZ 2.69Å; T742-K746 WeakPolarHBondContact O-CB 3.2Å; T742-K746 WeakPolarHBondContact O-CG 3.22Å; T742-K746 PolarHBondContact O-N 3.41Å; V743-K746 PolarHBondContact O-N 3.47Å; K746-L748 VanDerWaalsContact C-N 3.33Å; K746-L748 PolarHBondContact O-N 3.09Å; K746-G749 CarbonylContact O-C 3.59Å; K746-G749 PolarHBondContact O-N 3.05Å; K746-G749 VanDerWaalsContact O-N 3.12Å; K746-R750 VanDerWaalsContact O-CG 3.25Å; K746-R750 WeakPolarHBondContact O-CG 3.38Å; K746-R750 PolarHBondContact O-N 3.39Å
747N94.2Very high91.3Very high2 Ų245.8 Ų45.81%0.01124%0.24CC..Hα-helixtrans-59.2-43.2-179.1-163.667.3000112A726 I733 V743 C744 G749 R750 L751A726-N747 WeakPolarHBondContact CA-OD1 3.38Å; A726-N747 PolarHBondContact O-OD1 2.81Å; I733-N747 HydrophobicContact CD1-CB 3.97Å; V743-N747 WeakPolarHBondContact O-CB 3.36Å; V743-N747 PolarHBondContact O-N 3.45Å; C744-N747 PolarHBondContact O-N 3.04Å; N747-G749 PolarHBondContact O-N 3.28Å; N747-R750 WeakPolarHBondContact O-CB 3.21Å; N747-R750 PolarHBondContact O-N 2.63Å; N747-L751 WeakPolarHBondContact ND2-CD1 3.48Å; N747-L751 WeakPolarHBondContact O-CG 3.47Å; N747-L751 PolarHBondContact O-N 3.3Å
748L93.6Very high91.6Very high41 Ų4147 Ų4722%0.21525%0.249CC..Hα-helixtrans-54-53.4172.1178.859.7000111C744 K746 R750 L751 T752 F870 D872 L877C744-L748 WeakPolarHBondContact O-CB 3.47Å; C744-L748 PolarHBondContact O-N 2.67Å; K746-L748 VanDerWaalsContact C-N 3.33Å; K746-L748 PolarHBondContact O-N 3.09Å; L748-R750 PolarHBondContact O-N 3.19Å; L748-L751 PolarHBondContact O-N 3.29Å; L748-T752 PolarHBondContact O-N 3.12Å; L748-T752 PolarHBondContact O-OG1 2.94Å; L748-F870 HydrophobicContact CD1-CB 3.6Å; L748-D872 HydrophobicContact CD1-CB 4.08Å; L748-D872 HydrophobicContact CD2-CB 4.28Å; L748-L877 HydrophobicContact CD1-CD1 4.29Å; L748-L877 HydrophobicContact CD1-CD2 3.76Å
749G93.1Very high91.9Very high18 Ų1841.3 Ų41.319%0.18621%0.214CC..Hα-helixtrans-64.7-22.617700000114.6K745 K746 N747 R753K745-G749 PolarHBondContact O-N 2.98Å; K745-G749 VanDerWaalsContact O-N 3.14Å; K746-G749 CarbonylContact O-C 3.59Å; K746-G749 PolarHBondContact O-N 3.05Å; K746-G749 VanDerWaalsContact O-N 3.12Å; N747-G749 PolarHBondContact O-N 3.28Å; G749-R753 WeakPolarHBondContact O-CG 3.5Å
750R94.4Very high92.3Very high18 Ų1841.9 Ų41.97%0.06822%0.215CC..Hα-helixtrans-73.9-50.8172.2-60-159.3-178.5-175.60.2110.9E650 W722 T725 A726 K746 N747 L748 T752 R753 L754E650-R750 IonicContact OE1-NH2 3.17Å; E650-R750 PolarHBondContact OE1-NH2 3.49Å; W722-R750 HydrophobicContact CD2-CG 4.35Å; W722-R750 VanDerWaalsContact CE2-CD 3.43Å; W722-R750 HydrophobicContact CH2-CB 3.33Å; W722-R750 HydrophobicContact CH2-CG 3.74Å; W722-R750 VanDerWaalsContact CH2-O 3.32Å; W722-R750 WeakPolarHBondContact CH2-O 3.47Å; W722-R750 HydrophobicContact CZ2-CB 3.45Å; W722-R750 VanDerWaalsContact CZ2-CB 3.45Å; W722-R750 HydrophobicContact CZ2-CG 3.25Å; W722-R750 HydrophobicContact CZ3-CB 3.9Å; W722-R750 HydrophobicContact CZ3-CG 4.4Å; W722-R750 PolarHBondContact O-NH1 3.21Å; T725-R750 VanDerWaalsContact CB-NH1 3.31Å; A726-R750 HydrophobicContact CB-CB 3.99Å; K746-R750 VanDerWaalsContact O-CG 3.25Å; K746-R750 WeakPolarHBondContact O-CG 3.38Å; K746-R750 PolarHBondContact O-N 3.39Å; N747-R750 WeakPolarHBondContact O-CB 3.21Å; N747-R750 PolarHBondContact O-N 2.63Å; L748-R750 PolarHBondContact O-N 3.19Å; R750-T752 VanDerWaalsContact C-N 3.33Å; R750-T752 PolarHBondContact O-N 2.77Å; R750-R753 PolarHBondContact O-N 2.85Å; R750-R753 VanDerWaalsContact O-N 3.16Å; R750-L754 PolarHBondContact O-N 3.03Å
751L94.3Very high92.7Very high24 Ų2442.2 Ų42.213%0.12621%0.214CC..Hα-helixtrans-63.4-37.8179.8-68.1177.4000111.9R730 N747 L748 R753 L754 Y755 L877R730-L751 HydrophobicContact CB-CD1 4.35Å; R730-L751 HydrophobicContact CG-CD1 4.09Å; N747-L751 WeakPolarHBondContact ND2-CD1 3.48Å; N747-L751 WeakPolarHBondContact O-CG 3.47Å; N747-L751 PolarHBondContact O-N 3.3Å; L748-L751 PolarHBondContact O-N 3.29Å; L751-R753 VanDerWaalsContact C-N 3.31Å; L751-R753 PolarHBondContact O-N 3.16Å; L751-L754 HydrophobicContact CD2-CD1 4.39Å; L751-L754 PolarHBondContact O-N 2.97Å; L751-Y755 WeakPolarHBondContact O-CB 3.46Å; L751-Y755 PolarHBondContact O-N 3.05Å; L751-L877 HydrophobicContact CB-CD1 3.66Å; L751-L877 HydrophobicContact CD1-CD1 3.91Å; L751-L877 HydrophobicContact CG-CD1 4.44Å
752T94.1Very high93Very high2 Ų240.9 Ų40.91%0.01221%0.207CC..Hα-helixtrans-57.4-43.5173.1-56.20000111.9L748 R750 L756 F870 Y991L748-T752 PolarHBondContact O-N 3.12Å; L748-T752 PolarHBondContact O-OG1 2.94Å; R750-T752 VanDerWaalsContact C-N 3.33Å; R750-T752 PolarHBondContact O-N 2.77Å; T752-L756 HydrophobicContact CG2-CD1 4.1Å; T752-L756 WeakPolarHBondContact O-CG 3.46Å; T752-L756 PolarHBondContact O-N 3.14Å; T752-F870 HydrophobicContact CG2-CD2 3.61Å; T752-F870 HydrophobicContact CG2-CE2 3.9Å; T752-F870 VanDerWaalsContact OG1-CD2 3.28Å; T752-F870 WeakPolarHBondContact OG1-CD2 3.31Å; T752-Y991 HydrophobicContact CG2-CD1 3.78Å; T752-Y991 HydrophobicContact CG2-CD2 3.99Å; T752-Y991 HydrophobicContact CG2-CE1 3.7Å; T752-Y991 HydrophobicContact CG2-CE2 3.88Å; T752-Y991 HydrophobicContact CG2-CG 3.92Å
753R94.8Very high93.3Very high22 Ų2237.6 Ų37.68%0.08319%0.186CC..Hα-helixtrans-69.4-38177.5-71.2-178.5174.4-86.8-1.7112.7K693 W722 G749 R750 L751 K757 Y991 D993 M994K693-R753 PolarHBondContact O-NH1 2.94Å; W722-R753 HydrophobicContact CH2-CB 4.29Å; G749-R753 WeakPolarHBondContact O-CG 3.5Å; R750-R753 PolarHBondContact O-N 2.85Å; R750-R753 VanDerWaalsContact O-N 3.16Å; L751-R753 VanDerWaalsContact C-N 3.31Å; L751-R753 PolarHBondContact O-N 3.16Å; R753-K757 WeakPolarHBondContact O-CG 3.33Å; R753-K757 PolarHBondContact O-N 3.29Å; R753-Y991 HydrophobicContact CG-CE1 4.31Å; R753-D993 IonicContact CZ-OD1 3.66Å; R753-D993 IonicContact CZ-OD2 2.83Å; R753-D993 VanDerWaalsContact NH1-CG 3.28Å; R753-D993 IonicContact NH1-OD1 3.72Å; R753-D993 PolarHBondContact NH1-OD1 2.77Å; R753-D993 IonicContact NH1-OD2 3.76Å; R753-D993 PolarHBondContact NH1-OD2 3.21Å; R753-D993 VanDerWaalsContact NH2-CG 3.26Å; R753-D993 IonicContact NH2-OD1 3.65Å; R753-D993 PolarHBondContact NH2-OD1 2.63Å; R753-D993 IonicContact NH2-OD2 3.66Å; R753-D993 PolarHBondContact NH2-OD2 2.84Å; R753-M994 HydrophobicContact CB-SD 4.03Å; R753-M994 HydrophobicContact CG-SD 3.85Å
754L94.9Very high93.4Very high36 Ų3641.8 Ų41.819%0.18821%0.205CC..Hα-helixtrans-66.2-41.6176-70.2174000111.4W722 T723 A726 R750 L751 K757 A758W722-L754 HydrophobicContact CH2-CG 4.4Å; W722-L754 HydrophobicContact CZ3-CD1 4.01Å; W722-L754 HydrophobicContact CZ3-CD2 3.9Å; W722-L754 HydrophobicContact CZ3-CG 3.76Å; T723-L754 HydrophobicContact CG2-CD1 4.28Å; T723-L754 HydrophobicContact CG2-CD2 4.46Å; A726-L754 HydrophobicContact CB-CD1 4.29Å; R750-L754 PolarHBondContact O-N 3.03Å; L751-L754 HydrophobicContact CD2-CD1 4.39Å; L751-L754 PolarHBondContact O-N 2.97Å; L754-K757 WeakPolarHBondContact O-CB 3.46Å; L754-K757 PolarHBondContact O-N 3.49Å; L754-A758 PolarHBondContact O-N 3.15Å
755Y94Very high93.6Very high63 Ų6343.5 Ų43.525%0.24721%0.213CC..Hα-helixtrans-59.7-50.8174.1177.4-88.7000110.9L751 K757 A758 E759 F870L751-Y755 WeakPolarHBondContact O-CB 3.46Å; L751-Y755 PolarHBondContact O-N 3.05Å; Y755-K757 VanDerWaalsContact C-N 3.27Å; Y755-K757 PolarHBondContact O-N 3.46Å; Y755-A758 PolarHBondContact O-N 3.15Å; Y755-A758 VanDerWaalsContact O-N 3.12Å; Y755-E759 HydrophobicContact CE1-CB 4.29Å; Y755-E759 HydrophobicContact CE1-CG 4.48Å; Y755-E759 WeakPolarHBondContact O-CB 3.43Å; Y755-E759 PolarHBondContact O-N 3.21Å; Y755-F870 AromaticContact CD1-CE2 3.83Å; Y755-F870 HydrophobicContact CD1-CE2 3.83Å; Y755-F870 AromaticContact CD1-CZ 3.46Å; Y755-F870 HydrophobicContact CD1-CZ 3.46Å; Y755-F870 VanDerWaalsContact CD1-CZ 3.46Å; Y755-F870 HydrophobicContact CD2-CZ 4.04Å; Y755-F870 HydrophobicContact CE1-CE2 4.45Å; Y755-F870 AromaticContact CE1-CZ 3.8Å; Y755-F870 HydrophobicContact CE1-CZ 3.8Å; Y755-F870 HydrophobicContact CE2-CZ 4.31Å; Y755-F870 HydrophobicContact CG-CE2 4.09Å; Y755-F870 AromaticContact CG-CZ 3.59Å; Y755-F870 HydrophobicContact CG-CZ 3.59Å
756L93.9Very high93.7Very high1 Ų137.5 Ų37.51%0.00519%0.186CC..Hα-helixtrans-66.7-28.2-178.6-70.6171.8000113.4T752 Q760 I868 I989 Y991 M994T752-L756 HydrophobicContact CG2-CD1 4.1Å; T752-L756 WeakPolarHBondContact O-CG 3.46Å; T752-L756 PolarHBondContact O-N 3.14Å; L756-Q760 WeakPolarHBondContact O-CB 3.02Å; L756-Q760 WeakPolarHBondContact O-CG 3.4Å; L756-Q760 PolarHBondContact O-N 2.93Å; L756-I868 HydrophobicContact CD1-CG2 4.27Å; L756-I868 HydrophobicContact CD2-CG2 4.12Å; L756-I989 HydrophobicContact CD2-CG2 4.44Å; L756-Y991 HydrophobicContact CD1-CD1 3.97Å; L756-Y991 HydrophobicContact CD1-CG 3.94Å; L756-M994 HydrophobicContact CB-CE 3.41Å; L756-M994 VanDerWaalsContact CB-CE 3.41Å; L756-M994 HydrophobicContact CB-SD 3.88Å; L756-M994 HydrophobicContact CD1-CB 4.21Å; L756-M994 HydrophobicContact CD1-SD 4.07Å
757K94.4Very high93.7Very high29 Ų2938.6 Ų38.613%0.12620%0.196CC..Hα-helixtrans-63.3-50.8169-83.4-176.4152.353.20111.7W692 K693 N695 R753 L754 Y755 E759 Q760 E761 M994W692-K757 VanDerWaalsContact O-CE 3.3Å; W692-K757 WeakPolarHBondContact O-CE 3.4Å; W692-K757 PolarHBondContact O-NZ 3.18Å; K693-K757 PolarHBondContact O-NZ 3.41Å; N695-K757 HydrophobicContact CB-CG 4.08Å; N695-K757 WeakPolarHBondContact OD1-CE 3.45Å; R753-K757 WeakPolarHBondContact O-CG 3.33Å; R753-K757 PolarHBondContact O-N 3.29Å; L754-K757 WeakPolarHBondContact O-CB 3.46Å; L754-K757 PolarHBondContact O-N 3.49Å; Y755-K757 VanDerWaalsContact C-N 3.27Å; Y755-K757 PolarHBondContact O-N 3.46Å; K757-E759 PolarHBondContact O-N 3.15Å; K757-Q760 PolarHBondContact O-N 3.27Å; K757-E761 WeakPolarHBondContact O-CB 3.02Å; K757-E761 PolarHBondContact O-N 2.85Å; K757-M994 HydrophobicContact CG-CE 4.02Å
758A93.7Very high93.6Very high63 Ų6345.6 Ų45.652%0.52123%0.226SC..Hα-helixtrans-63.8-35.2178.800000111.4L754 Y755 E761 R762L754-A758 PolarHBondContact O-N 3.15Å; Y755-A758 PolarHBondContact O-N 3.15Å; Y755-A758 VanDerWaalsContact O-N 3.12Å; A758-E761 PolarHBondContact O-N 2.7Å; A758-R762 WeakPolarHBondContact O-CB 3.27Å; A758-R762 PolarHBondContact O-N 3.22Å
759E92.9Very high93.5Very high15 Ų1548.7 Ų48.77%0.0724%0.243CC..Hα-helixtrans-69.9-45.4177.3-171.658.2-157.900111.8Y755 K757 E761 R762 Q763 H996Y755-E759 HydrophobicContact CE1-CB 4.29Å; Y755-E759 HydrophobicContact CE1-CG 4.48Å; Y755-E759 WeakPolarHBondContact O-CB 3.43Å; Y755-E759 PolarHBondContact O-N 3.21Å; K757-E759 PolarHBondContact O-N 3.15Å; E759-E761 VanDerWaalsContact C-N 3.28Å; E759-E761 PolarHBondContact O-N 2.99Å; E759-R762 WeakPolarHBondContact O-CB 3.27Å; E759-R762 PolarHBondContact O-N 3Å; E759-R762 VanDerWaalsContact O-N 3.16Å; E759-R762 IonicContact OE1-CZ 3.1Å; E759-R762 IonicContact OE1-NE 2.59Å; E759-R762 PolarHBondContact OE1-NE 2.95Å; E759-R762 VanDerWaalsContact OE1-NE 3.17Å; E759-R762 IonicContact OE1-NH2 3.93Å; E759-R762 PolarHBondContact OE1-NH2 3.33Å; E759-R762 IonicContact OE2-CZ 3.66Å; E759-R762 IonicContact OE2-NE 3.65Å; E759-R762 PolarHBondContact OE2-NE 2.63Å; E759-R762 IonicContact OE2-NH2 3.06Å; E759-Q763 WeakPolarHBondContact O-CG 3.12Å; E759-Q763 PolarHBondContact O-N 2.97Å; E759-Q763 PolarHBondContact OE1-NE2 3.06Å; E759-H996 WeakPolarHBondContact CG-NE2 3.16Å
760Q93.3Very high93.2Very high29 Ų2949 Ų4914%0.13625%0.246CC..Hα-helixtrans-56.8-43.2172.4-84.6168.3-9.600112.2N695 L756 K757 Q763 H764 N995 H996N695-Q760 PolarHBondContact ND2-OE1 3.18Å; L756-Q760 WeakPolarHBondContact O-CB 3.02Å; L756-Q760 WeakPolarHBondContact O-CG 3.4Å; L756-Q760 PolarHBondContact O-N 2.93Å; K757-Q760 PolarHBondContact O-N 3.27Å; Q760-Q763 PolarHBondContact O-N 2.68Å; Q760-H764 WeakPolarHBondContact O-CB 3.2Å; Q760-H764 PolarHBondContact O-N 2.87Å; Q760-N995 PolarHBondContact NE2-O 3.39Å; Q760-H996 HydrophobicContact CG-CB 3.5Å; Q760-H996 VanDerWaalsContact CG-CB 3.5Å
761E93.2Very high92.8Very high100 Ų10052.1 Ų52.147%0.46727%0.269SS..Hα-helixtrans-63-44.5175.8-169.664.5-158.100111.4K757 A758 E759 Q763 H764 N765K757-E761 WeakPolarHBondContact O-CB 3.02Å; K757-E761 PolarHBondContact O-N 2.85Å; A758-E761 PolarHBondContact O-N 2.7Å; E759-E761 VanDerWaalsContact C-N 3.28Å; E759-E761 PolarHBondContact O-N 2.99Å; E761-Q763 PolarHBondContact O-N 3.26Å; E761-H764 PolarHBondContact O-N 3.08Å; E761-N765 WeakPolarHBondContact O-CB 3.43Å; E761-N765 PolarHBondContact O-N 2.79Å; E761-N765 PolarHBondContact O-ND2 2.76Å
762R93.3Very high92.6Very high46 Ų4655.3 Ų55.317%0.17428%0.28CS..Hα-helixtrans-60.7-44.4178-172.2-174.678.185-2.1112.2A758 E759 N765 Y766 E958 Y1000A758-R762 WeakPolarHBondContact O-CB 3.27Å; A758-R762 PolarHBondContact O-N 3.22Å; E759-R762 WeakPolarHBondContact O-CB 3.27Å; E759-R762 PolarHBondContact O-N 3Å; E759-R762 VanDerWaalsContact O-N 3.16Å; E759-R762 IonicContact OE1-CZ 3.1Å; E759-R762 IonicContact OE1-NE 2.59Å; E759-R762 PolarHBondContact OE1-NE 2.95Å; E759-R762 VanDerWaalsContact OE1-NE 3.17Å; E759-R762 IonicContact OE1-NH2 3.93Å; E759-R762 PolarHBondContact OE1-NH2 3.33Å; E759-R762 IonicContact OE2-CZ 3.66Å; E759-R762 IonicContact OE2-NE 3.65Å; E759-R762 PolarHBondContact OE2-NE 2.63Å; E759-R762 IonicContact OE2-NH2 3.06Å; R762-N765 PolarHBondContact O-N 2.82Å; R762-Y766 PolarHBondContact O-N 3.02Å; R762-E958 PolarHBondContact NH1-O 3.08Å; R762-Y1000 VanDerWaalsContact NH1-CE1 3.32Å; R762-Y1000 PolarHBondContact NH2-O 2.76Å
763Q93.8Very high92.3Very high6 Ų655.7 Ų55.73%0.02828%0.282CS..Hα-helixtrans-67-41.2178.3-61.7-74.5-16.600110.8E759 Q760 E761 Y766 L767 N998 S999 Y1000E759-Q763 WeakPolarHBondContact O-CG 3.12Å; E759-Q763 PolarHBondContact O-N 2.97Å; E759-Q763 PolarHBondContact OE1-NE2 3.06Å; Q760-Q763 PolarHBondContact O-N 2.68Å; E761-Q763 PolarHBondContact O-N 3.26Å; Q763-Y766 PolarHBondContact O-N 2.82Å; Q763-L767 WeakPolarHBondContact O-CG 3.32Å; Q763-L767 PolarHBondContact O-N 2.84Å; Q763-L767 VanDerWaalsContact O-N 3.17Å; Q763-N998 PolarHBondContact NE2-OD1 2.66Å; Q763-S999 PolarHBondContact OE1-OG 2.88Å; Q763-Y1000 PolarHBondContact NE2-O 3.2Å
764H93Very high92Very high108 Ų10857.9 Ų57.950%0.530%0.298SS..Hα-helixtrans-62.1-45.6174.3-178.661.7000112Q760 E761 Y766 L767 K768Q760-H764 WeakPolarHBondContact O-CB 3.2Å; Q760-H764 PolarHBondContact O-N 2.87Å; E761-H764 PolarHBondContact O-N 3.08Å; H764-Y766 PolarHBondContact O-N 2.87Å; H764-L767 PolarHBondContact O-N 2.85Å; H764-K768 VanDerWaalsContact O-CB 3.29Å; H764-K768 WeakPolarHBondContact O-CB 3.17Å; H764-K768 PolarHBondContact O-N 2.97Å
765N93.8Very high91.7Very high45 Ų4560 Ų6024%0.24132%0.321CS..Hα-helixtrans-64.5-39.2178.5-69.8-18.9000112.1E761 R762 L767 K768 D769E761-N765 WeakPolarHBondContact O-CB 3.43Å; E761-N765 PolarHBondContact O-N 2.79Å; E761-N765 PolarHBondContact O-ND2 2.76Å; R762-N765 PolarHBondContact O-N 2.82Å; N765-L767 PolarHBondContact O-N 3.45Å; N765-K768 PolarHBondContact O-N 3.08Å; N765-D769 VanDerWaalsContact O-CB 3.23Å; N765-D769 WeakPolarHBondContact O-CB 3.23Å; N765-D769 VanDerWaalsContact O-CG 3.25Å; N765-D769 PolarHBondContact O-N 3.22Å
766Y92.7Very high91.5Very high23 Ų2364.9 Ų64.99%0.0935%0.346CS..Hα-helixtrans-58.8-45.6172.7171.2-101.1000112.6R762 Q763 H764 K768 G770 P771 Y772 D961 Y1000R762-Y766 PolarHBondContact O-N 3.02Å; Q763-Y766 PolarHBondContact O-N 2.82Å; H764-Y766 PolarHBondContact O-N 2.87Å; Y766-K768 VanDerWaalsContact C-N 3.27Å; Y766-K768 PolarHBondContact O-N 2.92Å; Y766-G770 CarbonylContact O-C 3.05Å; Y766-G770 WeakPolarHBondContact O-CA 3.1Å; Y766-G770 PolarHBondContact O-N 3.42Å; Y766-P771 HydrophobicContact CE2-CB 4.49Å; Y766-Y772 HydrophobicContact CD2-CD2 4.03Å; Y766-Y772 AromaticContact CD2-CE2 3.79Å; Y766-Y772 HydrophobicContact CD2-CE2 3.79Å; Y766-D961 PolarHBondContact OH-OD1 3.24Å; Y766-Y1000 HydrophobicContact CD1-CG 4.18Å; Y766-Y1000 AromaticContact CD2-CD1 3.75Å; Y766-Y1000 HydrophobicContact CD2-CD1 3.75Å; Y766-Y1000 AromaticContact CD2-CD2 3.83Å; Y766-Y1000 HydrophobicContact CD2-CD2 3.83Å; Y766-Y1000 HydrophobicContact CD2-CE1 4.22Å; Y766-Y1000 HydrophobicContact CD2-CE2 4.26Å; Y766-Y1000 AromaticContact CD2-CG 3.57Å; Y766-Y1000 HydrophobicContact CD2-CG 3.57Å; Y766-Y1000 HydrophobicContact CE1-CG 4.4Å; Y766-Y1000 HydrophobicContact CE2-CD1 4.37Å; Y766-Y1000 AromaticContact CE2-CD2 3.59Å; Y766-Y1000 HydrophobicContact CE2-CD2 3.59Å; Y766-Y1000 HydrophobicContact CE2-CE2 4.01Å; Y766-Y1000 AromaticContact CE2-CG 3.81Å; Y766-Y1000 HydrophobicContact CE2-CG 3.81Å; Y766-Y1000 AromaticContact CG-CD1 3.95Å; Y766-Y1000 HydrophobicContact CG-CD1 3.95Å; Y766-Y1000 HydrophobicContact CG-CD2 4.38Å; Y766-Y1000 AromaticContact CG-CG 3.74Å; Y766-Y1000 HydrophobicContact CG-CG 3.74Å; Y766-Y1000 AromaticContact CZ-CD2 3.99Å
767L92.3Very high91.3Very high119 Ų11967.6 Ų67.662%0.62336%0.359SS*.Hα-helixtrans-68.6-27.9177.8-66.2174.6000112.7Q763 H764 N765Q763-L767 WeakPolarHBondContact O-CG 3.32Å; Q763-L767 PolarHBondContact O-N 2.84Å; Q763-L767 VanDerWaalsContact O-N 3.17Å; H764-L767 PolarHBondContact O-N 2.85Å; N765-L767 PolarHBondContact O-N 3.45Å
768K92.6Very high91.1Very high149 Ų14967.3 Ų67.365%0.64836%0.361SS*.Hα-helixtrans-82.9-47.6-179.2-178.2-174.4174.4-169.90112.8H764 N765 Y766H764-K768 VanDerWaalsContact O-CB 3.29Å; H764-K768 WeakPolarHBondContact O-CB 3.17Å; H764-K768 PolarHBondContact O-N 2.97Å; N765-K768 PolarHBondContact O-N 3.08Å; Y766-K768 VanDerWaalsContact C-N 3.27Å; Y766-K768 PolarHBondContact O-N 2.92Å
769D92.2Very high91.1Very high107 Ų10768.7 Ų68.757%0.57236%0.363SS*.Hα-helixtrans-84.4-20.4-174.1-58.7-22.5000111.6N765N765-D769 VanDerWaalsContact O-CB 3.23Å; N765-D769 WeakPolarHBondContact O-CB 3.23Å; N765-D769 VanDerWaalsContact O-CG 3.25Å; N765-D769 PolarHBondContact O-N 3.22Å
770G86.6Confident91Very high24 Ų2470.4 Ų70.425%0.24738%0.38CS..  trans93.6179.9-177.200000113.4Y766 Y772Y766-G770 CarbonylContact O-C 3.05Å; Y766-G770 WeakPolarHBondContact O-CA 3.1Å; Y766-G770 PolarHBondContact O-N 3.42Å; G770-Y772 PolarHBondContact O-N 2.96Å
771P86.2Confident91.1Very high84 Ų8469.3 Ų69.355%0.54538%0.375SS..  trans-64.1127.9177.326.6-33000110.8Y766 V773Y766-P771 HydrophobicContact CE2-CB 4.49Å; P771-V773 VanDerWaalsContact C-N 3.27Å; P771-V773 PolarHBondContact O-N 2.86Å
772Y89.5Confident91.1Very high90 Ų9068.6 Ų68.635%0.35337%0.369SS..SBendtrans-71.6-22179.4-56.8-67.7000113.4Y766 G770 Y1000 S1136Y766-Y772 HydrophobicContact CD2-CD2 4.03Å; Y766-Y772 AromaticContact CD2-CE2 3.79Å; Y766-Y772 HydrophobicContact CD2-CE2 3.79Å; G770-Y772 PolarHBondContact O-N 2.96Å; Y772-Y1000 AromaticContact CD2-CE1 3.69Å; Y772-Y1000 HydrophobicContact CD2-CE1 3.69Å; Y772-Y1000 AromaticContact CD2-CZ 3.7Å; Y772-Y1000 HydrophobicContact CE2-CD1 4.1Å; Y772-Y1000 AromaticContact CE2-CE1 3.55Å; Y772-Y1000 HydrophobicContact CE2-CE1 3.55Å; Y772-S1136 WeakPolarHBondContact O-CB 3.5Å
773V87.6Confident91.2Very high11 Ų1169 Ų697%0.06738%0.377CS..SBendtrans-82123175.5-177.20000107.7P771 E777 A778 L964 V1137P771-V773 VanDerWaalsContact C-N 3.27Å; P771-V773 PolarHBondContact O-N 2.86Å; V773-E777 HydrophobicContact CG1-CB 4.03Å; V773-A778 HydrophobicContact CG1-CB 3.88Å; V773-L964 HydrophobicContact CG1-CD2 4.49Å; V773-V1137 HydrophobicContact CG2-CG2 4.27Å
774T88.6Confident91.2Very high67 Ų6770.4 Ų70.441%0.41139%0.385SS..  trans-70.9154.1177.370.10000110.1E776 E777 A778T774-E776 PolarHBondContact O-N 3.3Å; T774-E777 PolarHBondContact N-OE2 3.15Å; T774-E777 PolarHBondContact O-N 3.02Å; T774-E777 WeakPolarHBondContact OG1-CB 3.48Å; T774-E777 WeakPolarHBondContact OG1-CG 3.46Å; T774-E777 PolarHBondContact OG1-N 3.01Å; T774-E777 VanDerWaalsContact OG1-N 3.16Å; T774-A778 WeakPolarHBondContact O-CB 3.38Å; T774-A778 PolarHBondContact O-N 3.45Å
775A87.8Confident91.3Very high81 Ų8165.4 Ų65.467%0.66936%0.362SS*.Hα-helixtrans-58.9-34.7177.900000112V779A775-V779 WeakPolarHBondContact O-CB 3.15Å; A775-V779 WeakPolarHBondContact O-CG2 3.44Å; A775-V779 PolarHBondContact O-N 3.31Å
776E90.7Very high91.3Very high165 Ų16565.5 Ų65.577%0.77137%0.365SS*.Hα-helixtrans-66.1-48.8176.1-174.2-179-179.900112T774 A778 V779 A780T774-E776 PolarHBondContact O-N 3.3Å; E776-A778 VanDerWaalsContact C-N 3.31Å; E776-A778 PolarHBondContact O-N 3.11Å; E776-V779 PolarHBondContact O-N 3.3Å; E776-A780 WeakPolarHBondContact O-CB 3.49Å; E776-A780 PolarHBondContact O-N 2.97Å
777E90.1Very high91.4Very high59 Ų5968.7 Ų68.728%0.27638%0.38SS..Hα-helixtrans-59-44.4175.2-74.2172.9173.600111V773 T774 V779 A780 I781 P1134 S1136V773-E777 HydrophobicContact CG1-CB 4.03Å; T774-E777 PolarHBondContact N-OE2 3.15Å; T774-E777 PolarHBondContact O-N 3.02Å; T774-E777 WeakPolarHBondContact OG1-CB 3.48Å; T774-E777 WeakPolarHBondContact OG1-CG 3.46Å; T774-E777 PolarHBondContact OG1-N 3.01Å; T774-E777 VanDerWaalsContact OG1-N 3.16Å; E777-V779 PolarHBondContact O-N 3.49Å; E777-A780 PolarHBondContact O-N 3.33Å; E777-I781 WeakPolarHBondContact O-CB 3.41Å; E777-I781 WeakPolarHBondContact O-CD1 3.31Å; E777-I781 WeakPolarHBondContact O-CG1 3.28Å; E777-I781 PolarHBondContact O-N 3.24Å; E777-P1134 HydrophobicContact CG-CB 4.45Å; E777-S1136 WeakPolarHBondContact OE2-CB 3.12Å; E777-S1136 PolarHBondContact OE2-OG 3.16Å
778A90.2Very high91.5Very high22 Ų2263.2 Ų63.218%0.18235%0.351CS..Hα-helixtrans-62.3-42.9178.500000112.1V773 T774 E776 Y782 L964V773-A778 HydrophobicContact CG1-CB 3.88Å; T774-A778 WeakPolarHBondContact O-CB 3.38Å; T774-A778 PolarHBondContact O-N 3.45Å; E776-A778 VanDerWaalsContact C-N 3.31Å; E776-A778 PolarHBondContact O-N 3.11Å; A778-Y782 VanDerWaalsContact O-CB 3.27Å; A778-Y782 WeakPolarHBondContact O-CB 3.05Å; A778-Y782 PolarHBondContact O-N 2.92Å; A778-L964 HydrophobicContact CB-CD1 4.22Å
779V92.4Very high91.6Very high92 Ų9256.9 Ų56.956%0.55833%0.325SS*.Hα-helixtrans-65.8-42.7176.5168.80000110.7A775 E776 E777 Y782 T783A775-V779 WeakPolarHBondContact O-CB 3.15Å; A775-V779 WeakPolarHBondContact O-CG2 3.44Å; A775-V779 PolarHBondContact O-N 3.31Å; E776-V779 PolarHBondContact O-N 3.3Å; E777-V779 PolarHBondContact O-N 3.49Å; V779-Y782 PolarHBondContact O-N 3.35Å; V779-T783 VanDerWaalsContact O-CB 3.3Å; V779-T783 WeakPolarHBondContact O-CB 3.32Å; V779-T783 PolarHBondContact O-N 3Å; V779-T783 PolarHBondContact O-OG1 3.31Å
780A92.2Very high91.5Very high52 Ų5258.2 Ų58.243%0.4333%0.327SS..Hα-helixtrans-59.3-49.7176.400000111.2E776 E777 Y782 T783 T784E776-A780 WeakPolarHBondContact O-CB 3.49Å; E776-A780 PolarHBondContact O-N 2.97Å; E777-A780 PolarHBondContact O-N 3.33Å; A780-Y782 VanDerWaalsContact C-N 3.34Å; A780-Y782 PolarHBondContact O-N 3.47Å; A780-T783 PolarHBondContact O-N 3.17Å; A780-T784 PolarHBondContact O-N 3.42Å; A780-T784 PolarHBondContact O-OG1 2.91Å
781I93.7Very high91.7Very high5 Ų559.9 Ų59.93%0.02634%0.335CS..Hα-helixtrans-59.1-45.4178-69.7165.1000111.5E777 T785 V1019 L1023 V1137E777-I781 WeakPolarHBondContact O-CB 3.41Å; E777-I781 WeakPolarHBondContact O-CD1 3.31Å; E777-I781 WeakPolarHBondContact O-CG1 3.28Å; E777-I781 PolarHBondContact O-N 3.24Å; I781-T785 PolarHBondContact O-N 3.22Å; I781-T785 VanDerWaalsContact O-N 3.11Å; I781-T785 PolarHBondContact O-OG1 3.39Å; I781-V1019 HydrophobicContact CG2-CG1 3.34Å; I781-L1023 HydrophobicContact CG1-CD1 4.18Å; I781-L1023 HydrophobicContact CG1-CD2 4.41Å; I781-V1137 HydrophobicContact CD1-CG2 3.63Å
782Y93.5Very high91.9Very high85 Ų8557.6 Ų57.633%0.33332%0.315SS..Hα-helixtrans-62.8-48.4178.5-177.7-98.1000111.3A778 V779 A780 T785 V786 R967 L968 L971A778-Y782 VanDerWaalsContact O-CB 3.27Å; A778-Y782 WeakPolarHBondContact O-CB 3.05Å; A778-Y782 PolarHBondContact O-N 2.92Å; V779-Y782 PolarHBondContact O-N 3.35Å; A780-Y782 VanDerWaalsContact C-N 3.34Å; A780-Y782 PolarHBondContact O-N 3.47Å; Y782-T785 WeakPolarHBondContact O-CB 3.45Å; Y782-T785 PolarHBondContact O-N 2.81Å; Y782-T785 VanDerWaalsContact O-N 3.12Å; Y782-V786 HydrophobicContact CD1-CG2 4.07Å; Y782-V786 HydrophobicContact CE1-CG2 3.76Å; Y782-V786 WeakPolarHBondContact O-CG2 3.49Å; Y782-V786 PolarHBondContact O-N 3.41Å; Y782-R967 HydrophobicContact CD2-CB 4.23Å; Y782-R967 HydrophobicContact CE2-CB 4.11Å; Y782-L968 HydrophobicContact CD2-CD2 4.22Å; Y782-L971 HydrophobicContact CD2-CD1 4.05Å; Y782-L971 HydrophobicContact CE2-CD1 3.7Å; Y782-L971 HydrophobicContact CE2-CD2 3.85Å; Y782-L971 HydrophobicContact CE2-CG 3.83Å; Y782-L971 WeakPolarHBondContact OH-CD2 3.49Å
783T95.1Very high92Very high56 Ų5662.5 Ų62.534%0.34433%0.333SS..Hα-helixtrans-62.3-44.3179.5-60.70000112V779 A780 T785 V786 H787V779-T783 VanDerWaalsContact O-CB 3.3Å; V779-T783 WeakPolarHBondContact O-CB 3.32Å; V779-T783 PolarHBondContact O-N 3Å; V779-T783 PolarHBondContact O-OG1 3.31Å; A780-T783 PolarHBondContact O-N 3.17Å; T783-T785 PolarHBondContact O-N 3.16Å; T783-V786 PolarHBondContact O-N 2.73Å; T783-H787 WeakPolarHBondContact CG2-NE2 3.41Å; T783-H787 PolarHBondContact O-CD2 3.43Å; T783-H787 VanDerWaalsContact O-CD2 3.26Å; T783-H787 PolarHBondContact O-N 2.74Å
784T94.7Very high92.2Very high34 Ų3463.4 Ų63.421%0.20934%0.336CS..Hα-helixtrans-56.8-41.6173.1-57.70000111.3A780 W788 L1022 L1027A780-T784 PolarHBondContact O-N 3.42Å; A780-T784 PolarHBondContact O-OG1 2.91Å; T784-W788 WeakPolarHBondContact O-CB 3.41Å; T784-W788 PolarHBondContact O-N 3.2Å; T784-L1022 HydrophobicContact CG2-CB 4.1Å; T784-L1027 HydrophobicContact CG2-CD1 4.44Å; T784-L1027 HydrophobicContact CG2-CD2 3.9Å; T784-L1027 HydrophobicContact CG2-CG 4.13Å
785T94.3Very high92.3Very high3 Ų363.4 Ų63.42%0.01834%0.34CS..Hα-helixtrans-68.4-41.3179-53.30000111.9I781 Y782 T783 W788 L789 L968 L971 V1019I781-T785 PolarHBondContact O-N 3.22Å; I781-T785 VanDerWaalsContact O-N 3.11Å; I781-T785 PolarHBondContact O-OG1 3.39Å; Y782-T785 WeakPolarHBondContact O-CB 3.45Å; Y782-T785 PolarHBondContact O-N 2.81Å; Y782-T785 VanDerWaalsContact O-N 3.12Å; T783-T785 PolarHBondContact O-N 3.16Å; T785-W788 PolarHBondContact O-N 3.07Å; T785-L789 HydrophobicContact CG2-CD1 4.11Å; T785-L789 HydrophobicContact CG2-CG 4.49Å; T785-L789 WeakPolarHBondContact O-CG 3.28Å; T785-L789 PolarHBondContact O-N 2.62Å; T785-L968 HydrophobicContact CG2-CD2 4.24Å; T785-L971 HydrophobicContact CG2-CD1 3.87Å; T785-V1019 HydrophobicContact CG2-CG2 4.26Å
786V94.3Very high92.6Very high48 Ų4863 Ų6329%0.29133%0.33SS..Hα-helixtrans-60.7-50.2176.31710000110.5Y782 T783 W788 L789 E790 L971Y782-V786 HydrophobicContact CD1-CG2 4.07Å; Y782-V786 HydrophobicContact CE1-CG2 3.76Å; Y782-V786 WeakPolarHBondContact O-CG2 3.49Å; Y782-V786 PolarHBondContact O-N 3.41Å; T783-V786 PolarHBondContact O-N 2.73Å; V786-W788 VanDerWaalsContact C-N 3.3Å; V786-W788 PolarHBondContact O-N 3.25Å; V786-L789 PolarHBondContact O-N 3.39Å; V786-E790 WeakPolarHBondContact O-CB 3.27Å; V786-E790 PolarHBondContact O-N 2.67Å; V786-L971 HydrophobicContact CG2-CD1 3.81Å; V786-L971 HydrophobicContact CG2-CD2 3.85Å
787H95.1Very high92.8Very high89 Ų8955.2 Ų55.241%0.41229%0.293SS..Hα-helixtrans-62.6-36.2179-69.8-42.7000112.9T783 E790 S791 L1027T783-H787 WeakPolarHBondContact CG2-NE2 3.41Å; T783-H787 PolarHBondContact O-CD2 3.43Å; T783-H787 VanDerWaalsContact O-CD2 3.26Å; T783-H787 PolarHBondContact O-N 2.74Å; H787-E790 IonicContact ND1-OE2 2.77Å; H787-S791 WeakPolarHBondContact O-CB 3.23Å; H787-S791 PolarHBondContact O-N 3.12Å; H787-L1027 HydrophobicContact CB-CD1 3.87Å
788W94.9Very high92.9Very high4 Ų455 Ų552%0.01530%0.297CS..Hα-helixtrans-61.7-52.3171.7174.9-105.7000111.8T784 T785 V786 E790 S791 R792 P909 W911 L1022 L1027 A1030 A1031 C1034T784-W788 WeakPolarHBondContact O-CB 3.41Å; T784-W788 PolarHBondContact O-N 3.2Å; T785-W788 PolarHBondContact O-N 3.07Å; V786-W788 VanDerWaalsContact C-N 3.3Å; V786-W788 PolarHBondContact O-N 3.25Å; W788-E790 VanDerWaalsContact C-N 3.26Å; W788-E790 PolarHBondContact O-N 3.24Å; W788-S791 PolarHBondContact O-N 3.46Å; W788-S791 VanDerWaalsContact O-N 3.16Å; W788-S791 PolarHBondContact O-OG 3.5Å; W788-R792 HydrophobicContact CD2-CG 4.08Å; W788-R792 HydrophobicContact CH2-CG 4.36Å; W788-R792 HydrophobicContact CZ2-CG 3.83Å; W788-R792 VanDerWaalsContact O-CG 3.31Å; W788-R792 WeakPolarHBondContact O-CG 3.48Å; W788-R792 PolarHBondContact O-N 3.31Å; W788-P909 HydrophobicContact CZ2-CG 4.45Å; W788-W911 AromaticContact CH2-CH2 3.69Å; W788-W911 HydrophobicContact CH2-CH2 3.69Å; W788-W911 HydrophobicContact CH2-CZ2 4.44Å; W788-W911 HydrophobicContact CZ2-CH2 4.02Å; W788-W911 HydrophobicContact CZ2-CZ2 4.42Å; W788-L1022 HydrophobicContact CB-CD1 3.61Å; W788-L1022 HydrophobicContact CB-CD2 4.38Å; W788-L1022 HydrophobicContact CD2-CD1 4.14Å; W788-L1022 HydrophobicContact CD2-CD2 3.53Å; W788-L1022 HydrophobicContact CD2-CG 4.47Å; W788-L1022 HydrophobicContact CE3-CD2 3.58Å; W788-L1022 HydrophobicContact CG-CD1 3.55Å; W788-L1022 HydrophobicContact CG-CD2 3.88Å; W788-L1022 HydrophobicContact CG-CG 4.37Å; W788-L1022 HydrophobicContact CZ2-CD2 4.47Å; W788-L1022 HydrophobicContact CZ3-CD2 4.09Å; W788-L1027 HydrophobicContact CB-CD2 3.83Å; W788-L1027 HydrophobicContact CE3-CD2 4.21Å; W788-A1030 HydrophobicContact CE3-CB 4.37Å; W788-A1030 HydrophobicContact CH2-CB 4.13Å; W788-A1030 HydrophobicContact CZ3-CB 3.69Å; W788-A1031 HydrophobicContact CZ3-CB 4.42Å; W788-C1034 HydrophobicContact CH2-CB 4.01Å
789L93.1Very high93.1Very high17 Ų1756 Ų569%0.08930%0.298CS..Hα-helixtrans-63.9-34.5-177.5-68173.4000112.1T785 V786 R792 R793 F794 L907 L971 I972T785-L789 HydrophobicContact CG2-CD1 4.11Å; T785-L789 HydrophobicContact CG2-CG 4.49Å; T785-L789 WeakPolarHBondContact O-CG 3.28Å; T785-L789 PolarHBondContact O-N 2.62Å; V786-L789 PolarHBondContact O-N 3.39Å; L789-R792 PolarHBondContact O-N 2.88Å; L789-R793 PolarHBondContact O-N 2.62Å; L789-F794 HydrophobicContact CB-CB 4.25Å; L789-F794 HydrophobicContact CD2-CB 3.91Å; L789-F794 HydrophobicContact CD2-CD1 3.98Å; L789-F794 HydrophobicContact CD2-CG 3.93Å; L789-F794 PolarHBondContact O-N 3.05Å; L789-L907 HydrophobicContact CD2-CD1 4Å; L789-L971 HydrophobicContact CD1-CB 3.69Å; L789-L971 HydrophobicContact CD1-CD1 4.25Å; L789-I972 HydrophobicContact CD1-CG2 3.88Å; L789-I972 HydrophobicContact CD2-CG2 4.29Å
790E91.8Very high93.1Very high135 Ų13551.7 Ų51.763%0.63127%0.271SS*.Hα-helixtrans-65-46.6172.8-172.2175.7-166.700111.5V786 H787 W788 R792 R793V786-E790 WeakPolarHBondContact O-CB 3.27Å; V786-E790 PolarHBondContact O-N 2.67Å; H787-E790 IonicContact ND1-OE2 2.77Å; W788-E790 VanDerWaalsContact C-N 3.26Å; W788-E790 PolarHBondContact O-N 3.24Å; E790-R792 PolarHBondContact O-N 3.48Å; E790-R793 PolarHBondContact O-N 2.97Å
791S90.4Very high93Very high58 Ų5852 Ų5241%0.40627%0.269SS..Hα-helixtrans-60.9-33.3176.990.70000112.2H787 W788 R793H787-S791 WeakPolarHBondContact O-CB 3.23Å; H787-S791 PolarHBondContact O-N 3.12Å; W788-S791 PolarHBondContact O-N 3.46Å; W788-S791 VanDerWaalsContact O-N 3.16Å; W788-S791 PolarHBondContact O-OG 3.5Å; S791-R793 VanDerWaalsContact C-N 3.33Å
792R90.7Very high92.6Very high36 Ų3659.2 Ų59.214%0.13631%0.307CS..THydrogen-bonded Turntrans-81.8-5.2176.6-60.1-48.3-63.9170.2-6.1114.2W788 L789 E790 F794 C1034 G1035W788-R792 HydrophobicContact CD2-CG 4.08Å; W788-R792 HydrophobicContact CH2-CG 4.36Å; W788-R792 HydrophobicContact CZ2-CG 3.83Å; W788-R792 VanDerWaalsContact O-CG 3.31Å; W788-R792 WeakPolarHBondContact O-CG 3.48Å; W788-R792 PolarHBondContact O-N 3.31Å; L789-R792 PolarHBondContact O-N 2.88Å; E790-R792 PolarHBondContact O-N 3.48Å; R792-F794 PolarHBondContact O-N 2.86Å; R792-C1034 PolarHBondContact NH2-SG 2.84Å; R792-G1035 PolarHBondContact NH1-O 2.91Å
793R91.7Very high92.3Very high193 Ų19360.4 Ų60.473%0.72833%0.328SS*.THydrogen-bonded Turntrans50.740.7-171.6-57.2-178.8179.8-173.7-1.3111.9L789 E790 S791 S795L789-R793 PolarHBondContact O-N 2.62Å; E790-R793 PolarHBondContact O-N 2.97Å; S791-R793 VanDerWaalsContact C-N 3.33Å; R793-S795 PolarHBondContact O-N 3.25Å
794F91.5Very high92Very high30 Ų3059.4 Ų59.413%0.13232%0.318CS..PPolyproline II helixtrans-68.2130.5-174.6-177.4-101.7000111.2L789 R792 I797 R905 L907 I972L789-F794 HydrophobicContact CB-CB 4.25Å; L789-F794 HydrophobicContact CD2-CB 3.91Å; L789-F794 HydrophobicContact CD2-CD1 3.98Å; L789-F794 HydrophobicContact CD2-CG 3.93Å; L789-F794 PolarHBondContact O-N 3.05Å; R792-F794 PolarHBondContact O-N 2.86Å; F794-I797 HydrophobicContact CZ-CG1 4.41Å; F794-R905 HydrophobicContact CD2-CB 4.35Å; F794-R905 HydrophobicContact CE2-CB 3.65Å; F794-R905 HydrophobicContact CZ-CB 4.34Å; F794-L907 HydrophobicContact CD2-CB 4.44Å; F794-L907 HydrophobicContact CD2-CD1 4.16Å; F794-L907 HydrophobicContact CE1-CD1 4.25Å; F794-L907 HydrophobicContact CE2-CB 3.65Å; F794-L907 HydrophobicContact CE2-CD1 3.77Å; F794-L907 HydrophobicContact CE2-CG 4.24Å; F794-L907 HydrophobicContact CZ-CB 4.14Å; F794-L907 HydrophobicContact CZ-CD1 3.82Å; F794-L907 HydrophobicContact CZ-CD2 4.5Å; F794-L907 HydrophobicContact CZ-CG 4.36Å; F794-I972 HydrophobicContact CE1-CB 4.08Å; F794-I972 HydrophobicContact CE1-CG2 4.06Å
795S91Very high91.7Very high68 Ų6866.7 Ų66.748%0.47635%0.347SS..PPolyproline II helixtrans-94.3124.1172.9-179.30000109.7R793 R905R793-S795 PolarHBondContact O-N 3.25Å; S795-R905 VanDerWaalsContact C-NH1 3.28Å; S795-R905 VanDerWaalsContact CB-NH1 3.31Å; S795-R905 WeakPolarHBondContact O-CD 3.34Å; S795-R905 PolarHBondContact O-NH1 3.1Å; S795-R905 PolarHBondContact OG-NH1 2.96Å
796P92.5Very high91.6Very high72 Ų7268.3 Ų68.347%0.46835%0.354SS..PPolyproline II helixtrans-58.7141.4178.6-25.634.8000113.6P798 R905P796-P798 WeakPolarHBondContact O-CD 3.46Å; P796-R905 PolarHBondContact O-NH1 2.99Å
797I94.6Very high91.4Very high1 Ų166.4 Ų66.41%0.00534%0.342CS..BIsolated β-bridgetrans-69.3120.9178.9-60.5172.4000109.2F794 Y897 L898 E901 A902 I972 V973 D974 F1011F794-I797 HydrophobicContact CZ-CG1 4.41Å; I797-Y897 HydrophobicContact CG2-CE1 3.73Å; I797-L898 HydrophobicContact CD1-CD2 4.39Å; I797-E901 HydrophobicContact CB-CB 4.5Å; I797-E901 HydrophobicContact CD1-CB 4.1Å; I797-E901 HydrophobicContact CG1-CB 4.03Å; I797-E901 HydrophobicContact CG2-CB 3.74Å; I797-E901 HydrophobicContact CG2-CG 4.09Å; I797-A902 HydrophobicContact CD1-CB 4.18Å; I797-I972 WeakPolarHBondContact CB-O 3.19Å; I797-I972 PolarHBondContact N-O 3.36Å; I797-V973 HydrophobicContact CB-CG1 4.1Å; I797-V973 HydrophobicContact CD1-CG1 4.16Å; I797-V973 CarbonylContact O-C 3.51Å; I797-V973 WeakPolarHBondContact O-CA 3.47Å; I797-D974 PolarHBondContact O-N 3.36Å; I797-F1011 HydrophobicContact CD1-CZ 4.42Å
798P93.7Very high91.3Very high55 Ų5564.8 Ų64.836%0.35734%0.338SS..PPolyproline II helixtrans-73.3172.1-178.631.1-36.1000111.4P796 Y897P796-P798 WeakPolarHBondContact O-CD 3.46Å; P798-Y897 WeakPolarHBondContact O-CE1 3.16Å; P798-Y897 PolarHBondContact O-OH 3.31Å
799F93.8Very high91.2Very high44 Ų4467.9 Ų67.919%0.19335%0.352CS..PPolyproline II helixtrans-68.3143.1164.5-172.5-91.8000110.6P801 K854 L857 L858 D974 N976 I977F799-P801 WeakPolarHBondContact O-CD 3.24Å; F799-K854 HydrophobicContact CE1-CB 4.34Å; F799-K854 HydrophobicContact CE1-CG 4.44Å; F799-K854 HydrophobicContact CZ-CB 4.18Å; F799-L857 HydrophobicContact CE2-CB 3.73Å; F799-L857 HydrophobicContact CE2-CD1 4.38Å; F799-L857 HydrophobicContact CZ-CB 4.12Å; F799-L858 HydrophobicContact CD2-CD2 4.25Å; F799-L858 HydrophobicContact CE1-CD1 4.5Å; F799-L858 HydrophobicContact CE1-CD2 4.37Å; F799-L858 HydrophobicContact CE1-CG 4.37Å; F799-L858 HydrophobicContact CE2-CD2 3.74Å; F799-L858 HydrophobicContact CE2-CG 3.92Å; F799-L858 HydrophobicContact CZ-CD1 4.17Å; F799-L858 HydrophobicContact CZ-CD2 3.83Å; F799-L858 HydrophobicContact CZ-CG 3.65Å; F799-D974 HydrophobicContact CB-CB 4.29Å; F799-N976 HydrophobicContact CD2-CB 4.43Å; F799-I977 HydrophobicContact CD2-CD1 4.47Å; F799-I977 HydrophobicContact CD2-CG1 4.17Å
800P92.2Very high91.3Very high0 Ų067.1 Ų67.10%035%0.348CS..  trans-56.9109.3174.7-2228.9000111.5Y893 Y897P800-Y893 HydrophobicContact CG-CE1 4.23Å; P800-Y897 HydrophobicContact CB-CD2 4.47Å; P800-Y897 HydrophobicContact CB-CE2 4.14Å; P800-Y897 HydrophobicContact CG-CD1 3.82Å; P800-Y897 HydrophobicContact CG-CD2 4.09Å; P800-Y897 HydrophobicContact CG-CE1 3.65Å; P800-Y897 HydrophobicContact CG-CE2 3.95Å; P800-Y897 HydrophobicContact CG-CG 4.03Å
801P89.9Confident91.4Very high59 Ų5960.8 Ų60.838%0.38332%0.318SS..  trans-66.4158.7-176.126.6-32.9000110.6F799 S803 Y804 K854F799-P801 WeakPolarHBondContact O-CD 3.24Å; P801-S803 PolarHBondContact O-N 3.1Å; P801-Y804 HydrophobicContact CG-CD2 3.85Å; P801-Y804 HydrophobicContact CG-CG 4.31Å; P801-Y804 PolarHBondContact O-N 3.43Å; P801-K854 PolarHBondContact O-NZ 3.26Å
802L84.8Confident91.6Very high156 Ų15660.7 Ų60.782%0.81731%0.313SS*.THydrogen-bonded Turntrans-54.6-40.4-177.8-172.665000112.2K854L802-K854 PolarHBondContact O-NZ 3.25Å; L802-K854 VanDerWaalsContact O-NZ 3.11Å
803S87.3Confident91.7Very high111 Ų11159 Ų5978%0.77631%0.307SS*.THydrogen-bonded Turntrans-106.247.7-179.652.10000113.2P801 K805P801-S803 PolarHBondContact O-N 3.1Å; S803-K805 PolarHBondContact O-N 3.25Å
804Y89.2Confident91.8Very high34 Ų3449.9 Ų49.913%0.13327%0.273CS..  trans-73.4128.9177.2-172.8-110.3000112P801 H806 D807 L810 Y897 Y900 E901P801-Y804 HydrophobicContact CG-CD2 3.85Å; P801-Y804 HydrophobicContact CG-CG 4.31Å; P801-Y804 PolarHBondContact O-N 3.43Å; Y804-H806 HydrophobicContact CD1-CB 4.19Å; Y804-H806 HydrophobicContact CE1-CB 3.73Å; Y804-H806 PolarHBondContact O-N 2.87Å; Y804-H806 VanDerWaalsContact O-N 3.12Å; Y804-D807 WeakPolarHBondContact CB-OD1 3.3Å; Y804-D807 HydrophobicContact CD1-CB 4.47Å; Y804-D807 VanDerWaalsContact CD1-OD1 3.23Å; Y804-D807 WeakPolarHBondContact CD1-OD1 3.48Å; Y804-D807 PolarHBondContact O-N 2.99Å; Y804-L810 HydrophobicContact CE1-CD1 3.85Å; Y804-Y897 HydrophobicContact CE1-CD2 4.31Å; Y804-Y897 HydrophobicContact CE1-CE2 4.14Å; Y804-Y897 HydrophobicContact CE2-CE2 4.22Å; Y804-Y897 AromaticContact CZ-CE2 3.88Å; Y804-Y900 VanDerWaalsContact OH-CD1 3.32Å; Y804-Y900 WeakPolarHBondContact OH-CD1 3.41Å; Y804-Y900 WeakPolarHBondContact OH-CE1 3.4Å; Y804-E901 PolarHBondContact OH-OE1 3.2Å
805K89.2Confident91.9Very high188 Ų18848.5 Ų48.582%0.81727%0.266SS*.THydrogen-bonded Turntrans-60-28.4-171.4-63.9-178.2-179.4-178.70114.4S803S803-K805 PolarHBondContact O-N 3.25Å
806H91.6Very high91.9Very high37 Ų3746.9 Ų46.917%0.17125%0.251CS..THydrogen-bonded Turntrans-111.49.2-171.7-47-60.9000113.6Y804 T808 K809 L810 Y900 Y1406Y804-H806 HydrophobicContact CD1-CB 4.19Å; Y804-H806 HydrophobicContact CE1-CB 3.73Å; Y804-H806 PolarHBondContact O-N 2.87Å; Y804-H806 VanDerWaalsContact O-N 3.12Å; H806-T808 PolarHBondContact O-N 3.37Å; H806-K809 WeakPolarHBondContact O-CB 3.49Å; H806-K809 PolarHBondContact O-N 3.1Å; H806-L810 WeakPolarHBondContact O-CG 3.35Å; H806-L810 PolarHBondContact O-N 3.27Å; H806-Y900 AromaticContact CD2-CE1 3.89Å; H806-Y1406 HydrophobicContact CB-CD1 4.29Å; H806-Y1406 HydrophobicContact CB-CE1 4.21Å; H806-Y1406 AromaticContact CD2-CE1 3.98Å; H806-Y1406 AromaticContact CE1-CE1 3.55Å; H806-Y1406 AromaticContact CE1-CZ 3.73Å; H806-Y1406 PolarHBondContact CE1-OH 3.43Å; H806-Y1406 VanDerWaalsContact CE1-OH 3.29Å; H806-Y1406 AromaticContact CG-CE1 3.59Å; H806-Y1406 AromaticContact ND1-CE1 3.32Å; H806-Y1406 VanDerWaalsContact ND1-CE1 3.32Å; H806-Y1406 WeakPolarHBondContact ND1-CE1 3.29Å; H806-Y1406 AromaticContact ND1-CZ 3.38Å; H806-Y1406 PolarHBondContact ND1-OH 3.06Å; H806-Y1406 AromaticContact NE2-CE1 3.97Å
807D90.5Very high91.7Very high8 Ų844 Ų444%0.04323%0.231CC..Hα-helixtrans-55.8-48.2-173.2-92.5-12.5000113.7Y804 K809 L810 L811 L850 K854 Y893Y804-D807 WeakPolarHBondContact CB-OD1 3.3Å; Y804-D807 HydrophobicContact CD1-CB 4.47Å; Y804-D807 VanDerWaalsContact CD1-OD1 3.23Å; Y804-D807 WeakPolarHBondContact CD1-OD1 3.48Å; Y804-D807 PolarHBondContact O-N 2.99Å; D807-K809 VanDerWaalsContact C-N 3.27Å; D807-K809 PolarHBondContact O-N 3.04Å; D807-L810 PolarHBondContact O-N 2.97Å; D807-L811 WeakPolarHBondContact O-CB 3.19Å; D807-L811 PolarHBondContact O-N 2.74Å; D807-L850 HydrophobicContact CB-CD1 3.75Å; D807-L850 HydrophobicContact CB-CD2 3.96Å; D807-K854 WeakPolarHBondContact OD2-CE 3.25Å; D807-K854 IonicContact OD2-NZ 3.68Å; D807-K854 PolarHBondContact OD2-NZ 2.96Å; D807-Y893 PolarHBondContact OD1-OH 3.33Å
808T92.1Very high91.5Very high54 Ų5444 Ų4433%0.33123%0.231SC..Hα-helixtrans-65.4-34.2-179.655.10000111.3H806 L811 I812 L850H806-T808 PolarHBondContact O-N 3.37Å; T808-L811 PolarHBondContact O-N 2.76Å; T808-I812 WeakPolarHBondContact O-CD1 3.44Å; T808-I812 WeakPolarHBondContact O-CG1 3.39Å; T808-I812 PolarHBondContact O-N 3.2Å; T808-L850 HydrophobicContact CG2-CD1 4.25Å
809K93.2Very high91.2Very high70 Ų7047.6 Ų47.630%0.30424%0.238SC..Hα-helixtrans-67.3-47.3177-60.4-60.4-171.3177.70111.3H806 D807 L811 I812 L813 T1403 Y1406H806-K809 WeakPolarHBondContact O-CB 3.49Å; H806-K809 PolarHBondContact O-N 3.1Å; D807-K809 VanDerWaalsContact C-N 3.27Å; D807-K809 PolarHBondContact O-N 3.04Å; K809-L811 VanDerWaalsContact C-N 3.32Å; K809-L811 PolarHBondContact O-N 2.91Å; K809-I812 PolarHBondContact O-N 3.32Å; K809-L813 WeakPolarHBondContact O-CG 3.4Å; K809-L813 PolarHBondContact O-N 3.21Å; K809-L813 VanDerWaalsContact O-N 3.11Å; K809-T1403 HydrophobicContact CB-CG2 4.48Å; K809-T1403 HydrophobicContact CD-CG2 4.18Å; K809-T1403 PolarHBondContact NZ-OG1 3.35Å; K809-Y1406 HydrophobicContact CB-CD2 3.98Å; K809-Y1406 HydrophobicContact CB-CE2 4.41Å; K809-Y1406 HydrophobicContact CG-CD2 4.24Å; K809-Y1406 HydrophobicContact CG-CE2 4.18Å
810L94.6Very high90.7Very high0 Ų048.9 Ų48.90%024%0.244CC..Hα-helixtrans-63.6-39.3176.4-63.3177.2000111.5Y804 H806 D807 L813 A814 Y893 Q896 Y897 Y900Y804-L810 HydrophobicContact CE1-CD1 3.85Å; H806-L810 WeakPolarHBondContact O-CG 3.35Å; H806-L810 PolarHBondContact O-N 3.27Å; D807-L810 PolarHBondContact O-N 2.97Å; L810-L813 PolarHBondContact O-N 2.84Å; L810-A814 WeakPolarHBondContact O-CB 3.48Å; L810-A814 PolarHBondContact O-N 3.24Å; L810-Y893 HydrophobicContact CB-CD2 4.34Å; L810-Y893 HydrophobicContact CB-CE2 4.19Å; L810-Q896 HydrophobicContact CB-CB 4.32Å; L810-Q896 HydrophobicContact CD2-CB 4.21Å; L810-Y897 HydrophobicContact CD1-CD2 3.93Å; L810-Y900 HydrophobicContact CD2-CG 4.39Å
811L94.9Very high89.9Confident2 Ų250.2 Ų50.21%0.0125%0.254CS..Hα-helixtrans-62.2-47.3174.6-177.867.9000111.8D807 T808 K809 L813 A814 L815 P846 A849 L850 I853 Y893D807-L811 WeakPolarHBondContact O-CB 3.19Å; D807-L811 PolarHBondContact O-N 2.74Å; T808-L811 PolarHBondContact O-N 2.76Å; K809-L811 VanDerWaalsContact C-N 3.32Å; K809-L811 PolarHBondContact O-N 2.91Å; L811-L813 VanDerWaalsContact C-N 3.3Å; L811-L813 PolarHBondContact O-N 3.5Å; L811-A814 WeakPolarHBondContact O-CB 3.38Å; L811-A814 PolarHBondContact O-N 3.15Å; L811-A814 VanDerWaalsContact O-N 3.13Å; L811-L815 HydrophobicContact CD1-CD1 4.32Å; L811-L815 HydrophobicContact CD1-CG 4.2Å; L811-L815 HydrophobicContact CD2-CD1 4.45Å; L811-L815 HydrophobicContact CG-CD1 3.99Å; L811-L815 HydrophobicContact CG-CG 4.25Å; L811-L815 VanDerWaalsContact O-CG 3.3Å; L811-L815 WeakPolarHBondContact O-CG 3.43Å; L811-L815 PolarHBondContact O-N 3.17Å; L811-P846 HydrophobicContact CD2-CB 3.78Å; L811-A849 HydrophobicContact CD2-CB 4.3Å; L811-L850 HydrophobicContact CB-CD2 4.26Å; L811-L850 HydrophobicContact CD2-CD2 4.48Å; L811-L850 HydrophobicContact CD2-CG 4.12Å; L811-I853 HydrophobicContact CD1-CD1 3.69Å; L811-Y893 HydrophobicContact CB-CD2 4.35Å
812I94Very high89.3Confident56 Ų5648.8 Ų48.829%0.28724%0.241SC..Hα-helixtrans-56.7-47.7178-72.2163.2000110.2T808 K809 A814 L815 E816 T1403T808-I812 WeakPolarHBondContact O-CD1 3.44Å; T808-I812 WeakPolarHBondContact O-CG1 3.39Å; T808-I812 PolarHBondContact O-N 3.2Å; K809-I812 PolarHBondContact O-N 3.32Å; I812-A814 VanDerWaalsContact C-N 3.33Å; I812-A814 PolarHBondContact O-N 2.81Å; I812-L815 PolarHBondContact O-N 3.11Å; I812-E816 HydrophobicContact CG2-CG 4.35Å; I812-E816 WeakPolarHBondContact O-CG 3.44Å; I812-E816 PolarHBondContact O-N 2.74Å; I812-T1403 HydrophobicContact CB-CG2 4.45Å; I812-T1403 HydrophobicContact CG2-CG2 4.15Å
813L93.4Very high88.5Confident2 Ų246.1 Ų46.11%0.0124%0.235CC..Hα-helixtrans-60.2-42.9177.2-68.4171.7000112K809 L810 L811 R817 Q896 T1403 L1404 D1407K809-L813 WeakPolarHBondContact O-CG 3.4Å; K809-L813 PolarHBondContact O-N 3.21Å; K809-L813 VanDerWaalsContact O-N 3.11Å; L810-L813 PolarHBondContact O-N 2.84Å; L811-L813 VanDerWaalsContact C-N 3.3Å; L811-L813 PolarHBondContact O-N 3.5Å; L813-R817 WeakPolarHBondContact O-CG 3.46Å; L813-R817 PolarHBondContact O-N 2.96Å; L813-R817 VanDerWaalsContact O-N 3.15Å; L813-Q896 HydrophobicContact CB-CG 4.34Å; L813-T1403 HydrophobicContact CD2-CG2 3.94Å; L813-T1403 HydrophobicContact CG-CG2 3.91Å; L813-L1404 HydrophobicContact CD2-CD2 4.19Å; L813-D1407 HydrophobicContact CD1-CB 3.69Å; L813-D1407 HydrophobicContact CD2-CB 3.84Å; L813-D1407 HydrophobicContact CG-CB 4.35Å
814A93.3Very high87.4Confident1 Ų145 Ų451%0.00822%0.224CC..Hα-helixtrans-59.5-49176.300000111.5L810 L811 I812 R817 L818 A892 Q896L810-A814 WeakPolarHBondContact O-CB 3.48Å; L810-A814 PolarHBondContact O-N 3.24Å; L811-A814 WeakPolarHBondContact O-CB 3.38Å; L811-A814 PolarHBondContact O-N 3.15Å; L811-A814 VanDerWaalsContact O-N 3.13Å; I812-A814 VanDerWaalsContact C-N 3.33Å; I812-A814 PolarHBondContact O-N 2.81Å; A814-R817 PolarHBondContact O-N 2.78Å; A814-L818 WeakPolarHBondContact O-CG 3.43Å; A814-L818 PolarHBondContact O-N 2.79Å; A814-A892 HydrophobicContact CB-CB 3.83Å; A814-Q896 HydrophobicContact CB-CG 4.17Å
815L93.9Very high86.4Confident1 Ų147.7 Ų47.71%0.00524%0.236CC..Hα-helixtrans-65-41.1-179.1-65.6178.3000112.5L811 I812 R817 L818 R819 I839 A842 Y843 I889L811-L815 HydrophobicContact CD1-CD1 4.32Å; L811-L815 HydrophobicContact CD1-CG 4.2Å; L811-L815 HydrophobicContact CD2-CD1 4.45Å; L811-L815 HydrophobicContact CG-CD1 3.99Å; L811-L815 HydrophobicContact CG-CG 4.25Å; L811-L815 VanDerWaalsContact O-CG 3.3Å; L811-L815 WeakPolarHBondContact O-CG 3.43Å; L811-L815 PolarHBondContact O-N 3.17Å; I812-L815 PolarHBondContact O-N 3.11Å; L815-R817 VanDerWaalsContact C-N 3.34Å; L815-R817 PolarHBondContact O-N 2.72Å; L815-L818 PolarHBondContact O-N 3.17Å; L815-R819 WeakPolarHBondContact O-CB 3.16Å; L815-R819 PolarHBondContact O-N 3.08Å; L815-I839 HydrophobicContact CB-CG2 4.27Å; L815-I839 HydrophobicContact CD2-CB 4.44Å; L815-I839 HydrophobicContact CD2-CG1 4.22Å; L815-I839 HydrophobicContact CD2-CG2 4.29Å; L815-A842 HydrophobicContact CD1-CB 3.68Å; L815-A842 HydrophobicContact CD2-CB 3.74Å; L815-A842 HydrophobicContact CG-CB 4.34Å; L815-Y843 HydrophobicContact CB-CD2 4.46Å; L815-Y843 HydrophobicContact CB-CE1 4.19Å; L815-Y843 HydrophobicContact CB-CE2 3.71Å; L815-Y843 WeakPolarHBondContact CB-OH 2.97Å; L815-Y843 HydrophobicContact CD1-CD1 4Å; L815-Y843 HydrophobicContact CD1-CD2 3.99Å; L815-Y843 HydrophobicContact CD1-CE1 4.05Å; L815-Y843 HydrophobicContact CD1-CE2 4.05Å; L815-Y843 HydrophobicContact CD1-CG 3.96Å; L815-Y843 HydrophobicContact CG-CE2 4.49Å; L815-I889 HydrophobicContact CD2-CG1 4.43Å; L815-I889 HydrophobicContact CD2-CG2 4.37Å
816E90.3Very high85.4Confident34 Ų3443.9 Ų43.916%0.15923%0.225CC..Hα-helixtrans-60.6-44.6176.7-74.6-169.412100111.5I812 L818 R819 E820 Y843 R1433I812-E816 HydrophobicContact CG2-CG 4.35Å; I812-E816 WeakPolarHBondContact O-CG 3.44Å; I812-E816 PolarHBondContact O-N 2.74Å; E816-L818 VanDerWaalsContact C-N 3.29Å; E816-L818 PolarHBondContact O-N 2.92Å; E816-R819 PolarHBondContact O-N 3.33Å; E816-E820 WeakPolarHBondContact O-CG 3.45Å; E816-E820 PolarHBondContact O-N 3.29Å; E816-Y843 WeakPolarHBondContact CG-OH 3.26Å; E816-Y843 PolarHBondContact N-OH 2.59Å; E816-R1433 IonicContact OE1-CZ 3.84Å; E816-R1433 IonicContact OE1-NH1 3.06Å; E816-R1433 PolarHBondContact OE1-NH1 3.16Å; E816-R1433 IonicContact OE1-NH2 3.34Å; E816-R1433 PolarHBondContact OE1-NH2 3.46Å; E816-R1433 IonicContact OE2-CZ 3.44Å; E816-R1433 IonicContact OE2-NH1 3.38Å; E816-R1433 PolarHBondContact OE2-NH1 3.07Å; E816-R1433 IonicContact OE2-NH2 3.61Å
817R88.3Confident84.3Confident10 Ų1049.4 Ų49.44%0.03824%0.244CC..Hα-helixtrans-63.6-33.2178.7-67.6-68.1172.2-156.32.7113L813 A814 L815 E820 D1407 H1431L813-R817 WeakPolarHBondContact O-CG 3.46Å; L813-R817 PolarHBondContact O-N 2.96Å; L813-R817 VanDerWaalsContact O-N 3.15Å; A814-R817 PolarHBondContact O-N 2.78Å; L815-R817 VanDerWaalsContact C-N 3.34Å; L815-R817 PolarHBondContact O-N 2.72Å; R817-E820 IonicContact CZ-OE2 3.12Å; R817-E820 IonicContact NH1-OE1 3.68Å; R817-E820 PolarHBondContact NH1-OE1 3.08Å; R817-E820 IonicContact NH1-OE2 3.7Å; R817-E820 PolarHBondContact NH1-OE2 3.39Å; R817-D1407 IonicContact CZ-OD2 3.3Å; R817-D1407 IonicContact NE-OD2 3.9Å; R817-D1407 IonicContact NH2-OD2 2.65Å; R817-D1407 PolarHBondContact NH2-OD2 2.74Å; R817-H1431 PolarHBondContact NH1-CD2 3.42Å; R817-H1431 VanDerWaalsContact NH1-CD2 3.32Å; R817-H1431 PolarHBondContact NH1-CE1 3.04Å; R817-H1431 PolarHBondContact NH1-NE2 3.34Å; R817-H1431 PolarHBondContact NH2-CE1 3.19Å; R817-H1431 PolarHBondContact NH2-NE2 2.98Å
818L90.6Very high83.7Confident2 Ų252 Ų521%0.0126%0.257CS..Hα-helixtrans-72.3-44174-64.4-179.9000111A814 L815 E816 E820 S821 I839 K888 I889 A892A814-L818 WeakPolarHBondContact O-CG 3.43Å; A814-L818 PolarHBondContact O-N 2.79Å; L815-L818 PolarHBondContact O-N 3.17Å; E816-L818 VanDerWaalsContact C-N 3.29Å; E816-L818 PolarHBondContact O-N 2.92Å; L818-E820 PolarHBondContact O-N 3.14Å; L818-S821 WeakPolarHBondContact O-CB 3.48Å; L818-S821 PolarHBondContact O-N 2.89Å; L818-I839 HydrophobicContact CB-CD1 3.71Å; L818-I839 HydrophobicContact CB-CG1 4.42Å; L818-K888 HydrophobicContact CD2-CD 3.76Å; L818-K888 HydrophobicContact CD2-CG 3.71Å; L818-I889 HydrophobicContact CD1-CB 4.47Å; L818-I889 HydrophobicContact CD1-CG1 3.79Å; L818-A892 HydrophobicContact CD1-CB 4.03Å; L818-A892 HydrophobicContact CD2-CB 4.26Å; L818-A892 HydrophobicContact CG-CB 4.17Å
819R88.8Confident83.2Confident130 Ų13052.8 Ų52.849%0.49126%0.26SS..Hα-helixtrans-61.4-39.1179-171.3179.8-179.7-174.44.4113.2L815 E816 S821 Y822L815-R819 WeakPolarHBondContact O-CB 3.16Å; L815-R819 PolarHBondContact O-N 3.08Å; E816-R819 PolarHBondContact O-N 3.33Å; R819-S821 PolarHBondContact O-N 3.41Å; R819-S821 VanDerWaalsContact O-N 3.11Å; R819-Y822 PolarHBondContact O-N 3.03Å; R819-Y822 VanDerWaalsContact O-N 3.11Å
820E82.2Confident82.8Confident71 Ų7155.2 Ų55.233%0.33227%0.272SS..Hα-helixtrans-52.2-35.5-179.8-82.6175.5174.600113.2E816 R817 L818 Y822 S823 H1431E816-E820 WeakPolarHBondContact O-CG 3.45Å; E816-E820 PolarHBondContact O-N 3.29Å; R817-E820 IonicContact CZ-OE2 3.12Å; R817-E820 IonicContact NH1-OE1 3.68Å; R817-E820 PolarHBondContact NH1-OE1 3.08Å; R817-E820 IonicContact NH1-OE2 3.7Å; R817-E820 PolarHBondContact NH1-OE2 3.39Å; L818-E820 PolarHBondContact O-N 3.14Å; E820-Y822 PolarHBondContact O-N 3.43Å; E820-Y822 VanDerWaalsContact O-N 3.15Å; E820-S823 PolarHBondContact O-OG 3.12Å; E820-H1431 IonicContact OE1-NE2 2.82Å
821S75.9Confident82.3Confident29 Ų2957 Ų5720%0.20328%0.284CS..THydrogen-bonded Turntrans-60.5-25.7-177.6-59.90000113.7L818 R819L818-S821 WeakPolarHBondContact O-CB 3.48Å; L818-S821 PolarHBondContact O-N 2.89Å; R819-S821 PolarHBondContact O-N 3.41Å; R819-S821 VanDerWaalsContact O-N 3.11Å
822Y76.7Confident81.9Confident29 Ų2957.9 Ų57.911%0.11429%0.289CS..THydrogen-bonded Turntrans-112.4-11.5-171.9-57.2-58.5000115.2R819 E820 V824 K825 L828 Q832 E835R819-Y822 PolarHBondContact O-N 3.03Å; R819-Y822 VanDerWaalsContact O-N 3.11Å; E820-Y822 PolarHBondContact O-N 3.43Å; E820-Y822 VanDerWaalsContact O-N 3.15Å; Y822-V824 PolarHBondContact O-N 3.07Å; Y822-K825 PolarHBondContact O-N 2.94Å; Y822-L828 HydrophobicContact CD1-CD2 4.29Å; Y822-L828 HydrophobicContact CG-CD2 4.2Å; Y822-Q832 HydrophobicContact CD1-CB 4.45Å; Y822-Q832 HydrophobicContact CD1-CG 3.94Å; Y822-Q832 HydrophobicContact CE1-CB 4.29Å; Y822-Q832 HydrophobicContact CE1-CG 3.43Å; Y822-Q832 VanDerWaalsContact CE1-CG 3.43Å; Y822-E835 HydrophobicContact CE2-CG 4.15Å; Y822-E835 WeakPolarHBondContact CE2-OE1 3.07Å; Y822-E835 WeakPolarHBondContact CE2-OE2 3.21Å; Y822-E835 PolarHBondContact OH-OE1 3.08Å; Y822-E835 PolarHBondContact OH-OE2 2.8Å
823S69Low81.5Confident99 Ų9962 Ų6269%0.69230%0.301SS*.THydrogen-bonded Turntrans-48.6-30.8178.6610000114.5E820E820-S823 PolarHBondContact O-OG 3.12Å
824V64.4Low81.4Confident88 Ų8866.4 Ų66.453%0.53332%0.321SS..THydrogen-bonded Turntrans-93.8-18.2-176.3-175.30000113.3Y822 N826Y822-V824 PolarHBondContact O-N 3.07Å; V824-N826 PolarHBondContact O-N 3.36Å
825K67.7Low81.2Confident90 Ų9066.6 Ų66.639%0.39132%0.321SS..  trans-88.1109.8-175-77.9-174.6-176168.80110.8Y822 R827Y822-K825 PolarHBondContact O-N 2.94Å; K825-R827 VanDerWaalsContact C-N 3.25Å; K825-R827 PolarHBondContact O-N 3.22Å
826N66.9Low81Confident109 Ų10968.4 Ų68.458%0.58333%0.331SS*.SBendtrans-67.8-15.5175.6-78.7-57.9000115.5V824 K1488V824-N826 PolarHBondContact O-N 3.36Å; N826-K1488 VanDerWaalsContact CG-NZ 3.27Å; N826-K1488 WeakPolarHBondContact OD1-CE 3.25Å; N826-K1488 PolarHBondContact OD1-NZ 3.39Å
827R69.8Low81.1Confident152 Ų15268.4 Ų68.457%0.57434%0.34SS*.SBendtrans-133.6121.8176.6-65.1-168.685-141.812.4108.6K825 R1497K825-R827 VanDerWaalsContact C-N 3.25Å; K825-R827 PolarHBondContact O-N 3.22Å; R827-R1497 VanDerWaalsContact CZ-NH1 3.32Å
828L78.3Confident81.3Confident62 Ų6268.9 Ų68.933%0.32534%0.343SS..  trans-98.8144.5179.2-61.5140.2000108.6Y822 Q832 R833 L836Y822-L828 HydrophobicContact CD1-CD2 4.29Å; Y822-L828 HydrophobicContact CG-CD2 4.2Å; L828-Q832 HydrophobicContact CB-CB 4Å; L828-Q832 HydrophobicContact CD2-CB 3.69Å; L828-Q832 HydrophobicContact CG-CB 4.48Å; L828-R833 HydrophobicContact CB-CG 3.91Å; L828-L836 HydrophobicContact CD1-CD1 3.85Å; L828-L836 HydrophobicContact CD2-CD1 3.84Å; L828-L836 HydrophobicContact CG-CD1 4.49Å
829N81.3Confident81.5Confident71 Ų7168.8 Ų68.838%0.3834%0.343SS..  trans-79.5-174167.964.42000109.7S831 Q832 R833N829-S831 PolarHBondContact ND2-OG 3.3Å; N829-S831 VanDerWaalsContact ND2-OG 3.07Å; N829-S831 PolarHBondContact OD1-OG 3.36Å; N829-Q832 VanDerWaalsContact N-OE1 3.08Å; N829-Q832 WeakPolarHBondContact OD1-CB 3.27Å; N829-Q832 WeakPolarHBondContact OD1-CG 3.45Å; N829-Q832 PolarHBondContact OD1-N 2.88Å; N829-Q832 PolarHBondContact OD1-OE1 2.85Å; N829-R833 WeakPolarHBondContact O-CG 3.36Å; N829-R833 PolarHBondContact O-N 2.82Å; N829-R833 PolarHBondContact O-NE 3.41Å
830Q84.1Confident81.6Confident122 Ų12266.3 Ų66.357%0.5734%0.337SS*.Hα-helixtrans-67.2-47.2178.4-172.861.821.300111.5Q832 R833 E834Q830-Q832 VanDerWaalsContact C-N 3.3Å; Q830-Q832 PolarHBondContact O-N 3.28Å; Q830-R833 PolarHBondContact O-N 2.72Å; Q830-E834 PolarHBondContact O-N 3.21Å
831S84.9Confident82.1Confident36 Ų3668.2 Ų68.225%0.25235%0.345SS..Hα-helixtrans-59.9-37.4-179.957.70000113.2N829 E834 E835N829-S831 PolarHBondContact ND2-OG 3.3Å; N829-S831 VanDerWaalsContact ND2-OG 3.07Å; N829-S831 PolarHBondContact OD1-OG 3.36Å; S831-E834 PolarHBondContact O-N 3.23Å; S831-E835 WeakPolarHBondContact O-CB 3.35Å; S831-E835 PolarHBondContact O-N 2.97Å
832Q86Confident83Confident22 Ų2266.9 Ų66.910%0.10334%0.336CS..Hα-helixtrans-71.2-29.6176.4-69.6160.2-0.600113Y822 L828 N829 Q830 L836Y822-Q832 HydrophobicContact CD1-CB 4.45Å; Y822-Q832 HydrophobicContact CD1-CG 3.94Å; Y822-Q832 HydrophobicContact CE1-CB 4.29Å; Y822-Q832 HydrophobicContact CE1-CG 3.43Å; Y822-Q832 VanDerWaalsContact CE1-CG 3.43Å; L828-Q832 HydrophobicContact CB-CB 4Å; L828-Q832 HydrophobicContact CD2-CB 3.69Å; L828-Q832 HydrophobicContact CG-CB 4.48Å; N829-Q832 VanDerWaalsContact N-OE1 3.08Å; N829-Q832 WeakPolarHBondContact OD1-CB 3.27Å; N829-Q832 WeakPolarHBondContact OD1-CG 3.45Å; N829-Q832 PolarHBondContact OD1-N 2.88Å; N829-Q832 PolarHBondContact OD1-OE1 2.85Å; Q830-Q832 VanDerWaalsContact C-N 3.3Å; Q830-Q832 PolarHBondContact O-N 3.28Å; Q832-L836 WeakPolarHBondContact O-CG 3.41Å; Q832-L836 PolarHBondContact O-N 3.22Å
833R86.4Confident83.7Confident143 Ų14368.7 Ų68.754%0.5434%0.343SS..Hα-helixtrans-73.9-40.5174.8-77.9-173.8-74.1168.62111.2L828 N829 Q830 E835 L836 G837L828-R833 HydrophobicContact CB-CG 3.91Å; N829-R833 WeakPolarHBondContact O-CG 3.36Å; N829-R833 PolarHBondContact O-N 2.82Å; N829-R833 PolarHBondContact O-NE 3.41Å; Q830-R833 PolarHBondContact O-N 2.72Å; R833-E835 VanDerWaalsContact C-N 3.35Å; R833-L836 PolarHBondContact O-N 2.91Å; R833-G837 PolarHBondContact O-N 3.47Å
834E90.2Very high84.8Confident94 Ų9470.3 Ų70.344%0.43934%0.344SS..Hα-helixtrans-61-44.7171.4-177.5175.5-169.400111.1Q830 S831 L836 G837 L838Q830-E834 PolarHBondContact O-N 3.21Å; S831-E834 PolarHBondContact O-N 3.23Å; E834-L836 PolarHBondContact O-N 2.85Å; E834-G837 PolarHBondContact O-N 3.03Å; E834-G837 VanDerWaalsContact O-N 3.16Å; E834-L838 HydrophobicContact CG-CD1 4.25Å; E834-L838 WeakPolarHBondContact O-CG 3.34Å; E834-L838 PolarHBondContact O-N 3.34Å
835E89.5Confident86.2Confident4 Ų469.3 Ų69.32%0.01934%0.336CS..Hα-helixtrans-59.4-47.1175.5-172.2169.9172.300112.6Y822 S831 R833 G837 L838 I839 P885 K888Y822-E835 HydrophobicContact CE2-CG 4.15Å; Y822-E835 WeakPolarHBondContact CE2-OE1 3.07Å; Y822-E835 WeakPolarHBondContact CE2-OE2 3.21Å; Y822-E835 PolarHBondContact OH-OE1 3.08Å; Y822-E835 PolarHBondContact OH-OE2 2.8Å; S831-E835 WeakPolarHBondContact O-CB 3.35Å; S831-E835 PolarHBondContact O-N 2.97Å; R833-E835 VanDerWaalsContact C-N 3.35Å; E835-G837 VanDerWaalsContact C-N 3.35Å; E835-G837 PolarHBondContact O-N 2.72Å; E835-L838 PolarHBondContact O-N 3.11Å; E835-I839 HydrophobicContact CG-CD1 4.09Å; E835-I839 WeakPolarHBondContact O-CD1 3.45Å; E835-I839 VanDerWaalsContact O-CG1 3.22Å; E835-I839 WeakPolarHBondContact O-CG1 3.21Å; E835-I839 PolarHBondContact O-N 3.3Å; E835-P885 HydrophobicContact CB-CB 3.81Å; E835-P885 HydrophobicContact CB-CG 3.8Å; E835-P885 HydrophobicContact CG-CB 4.01Å; E835-P885 HydrophobicContact CG-CG 4.32Å; E835-K888 VanDerWaalsContact OE1-CD 3.25Å; E835-K888 WeakPolarHBondContact OE1-CD 3.39Å; E835-K888 IonicContact OE1-NZ 3.41Å; E835-K888 PolarHBondContact OE1-NZ 3.18Å; E835-K888 IonicContact OE2-NZ 3.91Å; E835-K888 PolarHBondContact OE2-NZ 3.25Å
836L90.2Very high87.4Confident40 Ų4066.8 Ų66.821%0.20933%0.329CS..Hα-helixtrans-62.7-41.4174-73.3173.5000111.9L828 Q832 R833 E834 L838 I839 E840L828-L836 HydrophobicContact CD1-CD1 3.85Å; L828-L836 HydrophobicContact CD2-CD1 3.84Å; L828-L836 HydrophobicContact CG-CD1 4.49Å; Q832-L836 WeakPolarHBondContact O-CG 3.41Å; Q832-L836 PolarHBondContact O-N 3.22Å; R833-L836 PolarHBondContact O-N 2.91Å; E834-L836 PolarHBondContact O-N 2.85Å; L836-L838 VanDerWaalsContact C-N 3.34Å; L836-L838 PolarHBondContact O-N 2.83Å; L836-I839 PolarHBondContact O-N 3.2Å; L836-E840 WeakPolarHBondContact O-CG 3.4Å; L836-E840 PolarHBondContact O-N 3.36Å
837G91.8Very high88.5Confident33 Ų3368 Ų6834%0.3433%0.33SS..Hα-helixtrans-59.9-42.2177.200000112.9R833 E834 E835 E840 Q841R833-G837 PolarHBondContact O-N 3.47Å; E834-G837 PolarHBondContact O-N 3.03Å; E834-G837 VanDerWaalsContact O-N 3.16Å; E835-G837 VanDerWaalsContact C-N 3.35Å; E835-G837 PolarHBondContact O-N 2.72Å; G837-E840 PolarHBondContact O-N 2.95Å; G837-Q841 WeakPolarHBondContact O-CB 3.19Å; G837-Q841 VanDerWaalsContact O-CG 3.29Å; G837-Q841 WeakPolarHBondContact O-CG 3.44Å; G837-Q841 PolarHBondContact O-N 3.33Å
838L93.4Very high89.6Confident20 Ų2066.1 Ų66.111%0.10533%0.328CS..Hα-helixtrans-69.3-33.8175.9-69.9168.2000112.8E834 E835 L836 A842 P885 L886 I889E834-L838 HydrophobicContact CG-CD1 4.25Å; E834-L838 WeakPolarHBondContact O-CG 3.34Å; E834-L838 PolarHBondContact O-N 3.34Å; E835-L838 PolarHBondContact O-N 3.11Å; L836-L838 VanDerWaalsContact C-N 3.34Å; L836-L838 PolarHBondContact O-N 2.83Å; L838-A842 WeakPolarHBondContact O-CB 3.41Å; L838-A842 PolarHBondContact O-N 2.89Å; L838-P885 HydrophobicContact CD1-CB 3.72Å; L838-L886 HydrophobicContact CD1-CD2 3.81Å; L838-L886 HydrophobicContact CD1-CG 3.72Å; L838-L886 HydrophobicContact CD2-CD2 3.62Å; L838-L886 HydrophobicContact CD2-CG 4.32Å; L838-L886 HydrophobicContact CG-CD2 4.31Å; L838-I889 HydrophobicContact CB-CD1 3.72Å
839I93Very high90.3Very high0 Ų063.2 Ų63.20%031%0.313CS..Hα-helixtrans-65.1-48.3174-72.4165000110.4L815 L818 E835 L836 A842 Y843L815-I839 HydrophobicContact CB-CG2 4.27Å; L815-I839 HydrophobicContact CD2-CB 4.44Å; L815-I839 HydrophobicContact CD2-CG1 4.22Å; L815-I839 HydrophobicContact CD2-CG2 4.29Å; L818-I839 HydrophobicContact CB-CD1 3.71Å; L818-I839 HydrophobicContact CB-CG1 4.42Å; E835-I839 HydrophobicContact CG-CD1 4.09Å; E835-I839 WeakPolarHBondContact O-CD1 3.45Å; E835-I839 VanDerWaalsContact O-CG1 3.22Å; E835-I839 WeakPolarHBondContact O-CG1 3.21Å; E835-I839 PolarHBondContact O-N 3.3Å; L836-I839 PolarHBondContact O-N 3.2Å; I839-A842 PolarHBondContact O-N 2.98Å; I839-A842 VanDerWaalsContact O-N 3.15Å; I839-Y843 HydrophobicContact CG2-CD2 3.79Å; I839-Y843 HydrophobicContact CG2-CE2 3.52Å; I839-Y843 VanDerWaalsContact O-CD2 3.26Å; I839-Y843 WeakPolarHBondContact O-CD2 3.49Å; I839-Y843 PolarHBondContact O-N 3.32Å
840E91.4Very high90.9Very high79 Ų7960.1 Ų60.137%0.36930%0.297SS..Hα-helixtrans-62.9-43.5177.9-61.6-60.9154.900110.9L836 G837 A842 Y843 D844L836-E840 WeakPolarHBondContact O-CG 3.4Å; L836-E840 PolarHBondContact O-N 3.36Å; G837-E840 PolarHBondContact O-N 2.95Å; E840-A842 PolarHBondContact O-N 3.45Å; E840-Y843 WeakPolarHBondContact O-CA 3.36Å; E840-Y843 WeakPolarHBondContact O-CB 3.35Å; E840-Y843 PolarHBondContact O-N 2.74Å; E840-D844 VanDerWaalsContact O-CG 3.32Å; E840-D844 PolarHBondContact O-N 2.88Å
841Q93Very high91.3Very high110 Ų11057.7 Ų57.751%0.51429%0.293SS..Hα-helixtrans-58-35.4173-75.4175.5-1.400113.2G837 D844 N845G837-Q841 WeakPolarHBondContact O-CB 3.19Å; G837-Q841 VanDerWaalsContact O-CG 3.29Å; G837-Q841 WeakPolarHBondContact O-CG 3.44Å; G837-Q841 PolarHBondContact O-N 3.33Å; Q841-D844 PolarHBondContact O-N 3.18Å; Q841-N845 PolarHBondContact O-N 3.43Å
842A93.9Very high91.7Very high1 Ų157.8 Ų57.81%0.00829%0.288CS..Hα-helixtrans-75.9-25.7177.200000113L815 L838 I839 E840 P846 A849L815-A842 HydrophobicContact CD1-CB 3.68Å; L815-A842 HydrophobicContact CD2-CB 3.74Å; L815-A842 HydrophobicContact CG-CB 4.34Å; L838-A842 WeakPolarHBondContact O-CB 3.41Å; L838-A842 PolarHBondContact O-N 2.89Å; I839-A842 PolarHBondContact O-N 2.98Å; I839-A842 VanDerWaalsContact O-N 3.15Å; E840-A842 PolarHBondContact O-N 3.45Å; A842-P846 VanDerWaalsContact O-CA 3.32Å; A842-P846 WeakPolarHBondContact O-CA 3.44Å; A842-A849 HydrophobicContact CB-CB 3.79Å
843Y91.7Very high92.1Very high68 Ų6856.8 Ų56.827%0.26728%0.283SS..Hα-helixtrans-72.7-42.3167.3-80.2-67.4000111.6L815 E816 I839 E840L815-Y843 HydrophobicContact CB-CD2 4.46Å; L815-Y843 HydrophobicContact CB-CE1 4.19Å; L815-Y843 HydrophobicContact CB-CE2 3.71Å; L815-Y843 WeakPolarHBondContact CB-OH 2.97Å; L815-Y843 HydrophobicContact CD1-CD1 4Å; L815-Y843 HydrophobicContact CD1-CD2 3.99Å; L815-Y843 HydrophobicContact CD1-CE1 4.05Å; L815-Y843 HydrophobicContact CD1-CE2 4.05Å; L815-Y843 HydrophobicContact CD1-CG 3.96Å; L815-Y843 HydrophobicContact CG-CE2 4.49Å; E816-Y843 WeakPolarHBondContact CG-OH 3.26Å; E816-Y843 PolarHBondContact N-OH 2.59Å; I839-Y843 HydrophobicContact CG2-CD2 3.79Å; I839-Y843 HydrophobicContact CG2-CE2 3.52Å; I839-Y843 VanDerWaalsContact O-CD2 3.26Å; I839-Y843 WeakPolarHBondContact O-CD2 3.49Å; I839-Y843 PolarHBondContact O-N 3.32Å; E840-Y843 WeakPolarHBondContact O-CA 3.36Å; E840-Y843 WeakPolarHBondContact O-CB 3.35Å; E840-Y843 PolarHBondContact O-N 2.74Å
844D92.8Very high92.6Very high132 Ų13250.7 Ų50.771%0.70626%0.261SS*.Hα-helixtrans-68.4-43.1-178.8-67.6-24.4000112E840 Q841E840-D844 VanDerWaalsContact O-CG 3.32Å; E840-D844 PolarHBondContact O-N 2.88Å; Q841-D844 PolarHBondContact O-N 3.18Å
845N93.4Very high92.8Very high68 Ų6853 Ų5336%0.36427%0.266SS..  trans-126.274.9178.8-161.4-10.3000112.4Q841 H847 E848 A849Q841-N845 PolarHBondContact O-N 3.43Å; N845-H847 VanDerWaalsContact C-N 3.31Å; N845-H847 PolarHBondContact O-N 3.32Å; N845-E848 HydrophobicContact CB-CB 4.14Å; N845-E848 VanDerWaalsContact ND2-CB 3.31Å; N845-E848 WeakPolarHBondContact ND2-CB 3.36Å; N845-E848 PolarHBondContact ND2-OE2 3.3Å; N845-E848 PolarHBondContact O-N 3.28Å; N845-E848 WeakPolarHBondContact OD1-CB 3.38Å; N845-E848 PolarHBondContact OD1-N 3.03Å; N845-A849 PolarHBondContact O-N 3.12Å; N845-A849 VanDerWaalsContact O-N 3.1Å
846P92.8Very high93.1Very high37 Ų3754.5 Ų54.524%0.2427%0.272CS..Hα-helixtrans-65.4-32.8-174.725-33.6000112.7L811 A842 A849 L850L811-P846 HydrophobicContact CD2-CB 3.78Å; A842-P846 VanDerWaalsContact O-CA 3.32Å; A842-P846 WeakPolarHBondContact O-CA 3.44Å; P846-A849 PolarHBondContact O-N 3.16Å; P846-L850 WeakPolarHBondContact O-CB 3.38Å; P846-L850 WeakPolarHBondContact O-CD1 3.48Å; P846-L850 WeakPolarHBondContact O-CG 3.35Å; P846-L850 PolarHBondContact O-N 2.77Å
847H91.4Very high93.3Very high133 Ų13352.6 Ų52.662%0.61626%0.262SS*.Hα-helixtrans-71.1-40.2-179.7-67.5-69.4000112.5N845 L850 S851N845-H847 VanDerWaalsContact C-N 3.31Å; N845-H847 PolarHBondContact O-N 3.32Å; H847-L850 PolarHBondContact O-N 2.82Å; H847-S851 WeakPolarHBondContact O-CB 3.43Å; H847-S851 PolarHBondContact O-N 2.66Å
848E92Very high93.4Very high113 Ų11355 Ų5553%0.52827%0.267SS..Hα-helixtrans-64.2-44.2172.8-175.8-173.5169.800111N845 L850 S851 R852N845-E848 HydrophobicContact CB-CB 4.14Å; N845-E848 VanDerWaalsContact ND2-CB 3.31Å; N845-E848 WeakPolarHBondContact ND2-CB 3.36Å; N845-E848 PolarHBondContact ND2-OE2 3.3Å; N845-E848 PolarHBondContact O-N 3.28Å; N845-E848 WeakPolarHBondContact OD1-CB 3.38Å; N845-E848 PolarHBondContact OD1-N 3.03Å; E848-L850 PolarHBondContact O-N 3.44Å; E848-S851 PolarHBondContact O-N 2.83Å; E848-R852 WeakPolarHBondContact O-CB 3.28Å; E848-R852 PolarHBondContact O-N 3.26Å
849A92.8Very high93.4Very high1 Ų158.7 Ų58.71%0.00829%0.291CS..Hα-helixtrans-59.1-45.917600000111.8L811 A842 N845 P846 R852 I853L811-A849 HydrophobicContact CD2-CB 4.3Å; A842-A849 HydrophobicContact CB-CB 3.79Å; N845-A849 PolarHBondContact O-N 3.12Å; N845-A849 VanDerWaalsContact O-N 3.1Å; P846-A849 PolarHBondContact O-N 3.16Å; A849-R852 PolarHBondContact O-N 2.89Å; A849-I853 WeakPolarHBondContact O-CB 3.4Å; A849-I853 WeakPolarHBondContact O-CD1 3.38Å; A849-I853 WeakPolarHBondContact O-CG1 3.39Å; A849-I853 PolarHBondContact O-N 2.65Å
850L93.7Very high93.4Very high7 Ų760.8 Ų60.84%0.03730%0.3CS..Hα-helixtrans-62.6-43.2176.2-74.9164.7000112.5D807 T808 L811 P846 H847 E848 R852 I853 K854 Y893D807-L850 HydrophobicContact CB-CD1 3.75Å; D807-L850 HydrophobicContact CB-CD2 3.96Å; T808-L850 HydrophobicContact CG2-CD1 4.25Å; L811-L850 HydrophobicContact CB-CD2 4.26Å; L811-L850 HydrophobicContact CD2-CD2 4.48Å; L811-L850 HydrophobicContact CD2-CG 4.12Å; P846-L850 WeakPolarHBondContact O-CB 3.38Å; P846-L850 WeakPolarHBondContact O-CD1 3.48Å; P846-L850 WeakPolarHBondContact O-CG 3.35Å; P846-L850 PolarHBondContact O-N 2.77Å; H847-L850 PolarHBondContact O-N 2.82Å; E848-L850 PolarHBondContact O-N 3.44Å; L850-R852 VanDerWaalsContact C-N 3.32Å; L850-R852 PolarHBondContact O-N 2.79Å; L850-I853 PolarHBondContact O-N 3.34Å; L850-K854 WeakPolarHBondContact O-CG 3.29Å; L850-K854 PolarHBondContact O-N 3.22Å; L850-Y893 HydrophobicContact CD2-CD2 3.93Å; L850-Y893 HydrophobicContact CD2-CE2 3.37Å
851S92.9Very high93.5Very high71 Ų7160.6 Ų60.650%0.49730%0.296SS..Hα-helixtrans-59.5-45.5175.8-1800000111.1H847 E848 K854 R855H847-S851 WeakPolarHBondContact O-CB 3.43Å; H847-S851 PolarHBondContact O-N 2.66Å; E848-S851 PolarHBondContact O-N 2.83Å; S851-K854 PolarHBondContact O-N 2.65Å; S851-R855 VanDerWaalsContact O-CB 3.32Å; S851-R855 WeakPolarHBondContact O-CB 3.41Å; S851-R855 PolarHBondContact O-N 2.93Å
852R93.3Very high93.5Very high38 Ų3859.3 Ų59.314%0.14331%0.305CS..Hα-helixtrans-61.3-46.9175.1179175.166.8-1421.2111.9E848 A849 L850 R855 H856E848-R852 WeakPolarHBondContact O-CB 3.28Å; E848-R852 PolarHBondContact O-N 3.26Å; A849-R852 PolarHBondContact O-N 2.89Å; L850-R852 VanDerWaalsContact C-N 3.32Å; L850-R852 PolarHBondContact O-N 2.79Å; R852-R855 PolarHBondContact O-N 2.82Å; R852-H856 WeakPolarHBondContact CG-NE2 3.14Å; R852-H856 PolarHBondContact O-CD2 3.05Å; R852-H856 PolarHBondContact O-N 3.05Å
853I95.4Very high93.5Very high0 Ų060.7 Ų60.70%031%0.311CS..Hα-helixtrans-57.2-53.4177.5-73.7160.1000110.5L811 A849 L850 R855 H856 L857 I889 T890 Y893L811-I853 HydrophobicContact CD1-CD1 3.69Å; A849-I853 WeakPolarHBondContact O-CB 3.4Å; A849-I853 WeakPolarHBondContact O-CD1 3.38Å; A849-I853 WeakPolarHBondContact O-CG1 3.39Å; A849-I853 PolarHBondContact O-N 2.65Å; L850-I853 PolarHBondContact O-N 3.34Å; I853-R855 VanDerWaalsContact C-N 3.3Å; I853-R855 PolarHBondContact O-N 2.75Å; I853-H856 WeakPolarHBondContact O-CB 3.3Å; I853-H856 PolarHBondContact O-N 3.41Å; I853-H856 VanDerWaalsContact O-N 3.09Å; I853-L857 HydrophobicContact CG2-CD1 4.32Å; I853-L857 WeakPolarHBondContact O-CG 3.48Å; I853-L857 PolarHBondContact O-N 3.07Å; I853-I889 HydrophobicContact CD1-CG2 4.04Å; I853-I889 HydrophobicContact CG1-CG2 4.38Å; I853-T890 HydrophobicContact CG2-CG2 4.2Å; I853-Y893 HydrophobicContact CD1-CG 4.17Å; I853-Y893 HydrophobicContact CG2-CD1 3.34Å; I853-Y893 HydrophobicContact CG2-CE1 3.83Å; I853-Y893 HydrophobicContact CG2-CG 3.87Å
854K95.2Very high93.6Very high16 Ų1663.1 Ų63.17%0.0732%0.323CS..Hα-helixtrans-60.9-40-180-68.9176.6-171.2-178.70111.6F799 P801 L802 D807 L850 S851 H856 L857 L858F799-K854 HydrophobicContact CE1-CB 4.34Å; F799-K854 HydrophobicContact CE1-CG 4.44Å; F799-K854 HydrophobicContact CZ-CB 4.18Å; P801-K854 PolarHBondContact O-NZ 3.26Å; L802-K854 PolarHBondContact O-NZ 3.25Å; L802-K854 VanDerWaalsContact O-NZ 3.11Å; D807-K854 WeakPolarHBondContact OD2-CE 3.25Å; D807-K854 IonicContact OD2-NZ 3.68Å; D807-K854 PolarHBondContact OD2-NZ 2.96Å; L850-K854 WeakPolarHBondContact O-CG 3.29Å; L850-K854 PolarHBondContact O-N 3.22Å; S851-K854 PolarHBondContact O-N 2.65Å; K854-H856 PolarHBondContact O-N 2.7Å; K854-L857 PolarHBondContact O-N 3.35Å; K854-L858 WeakPolarHBondContact O-CG 2.98Å; K854-L858 PolarHBondContact O-N 3.42Å; K854-L858 VanDerWaalsContact O-N 3.09Å
855R95Very high93.6Very high143 Ų14361.6 Ų61.654%0.5431%0.311SS..Hα-helixtrans-60.4-43.3173.7-177.5176.764.2-165.5-1112.1S851 R852 I853 L858 T859S851-R855 VanDerWaalsContact O-CB 3.32Å; S851-R855 WeakPolarHBondContact O-CB 3.41Å; S851-R855 PolarHBondContact O-N 2.93Å; R852-R855 PolarHBondContact O-N 2.82Å; I853-R855 VanDerWaalsContact C-N 3.3Å; I853-R855 PolarHBondContact O-N 2.75Å; R855-L858 PolarHBondContact O-N 3.35Å; R855-T859 PolarHBondContact O-N 3.06Å; R855-T859 PolarHBondContact O-OG1 3.41Å
856H95.5Very high93.6Very high34 Ų3458.3 Ų58.316%0.15729%0.294CS..Hα-helixtrans-63.4-41.8176.5-70.5-50.5000111.9R852 I853 K854 L858 T859 Q860 T890R852-H856 WeakPolarHBondContact CG-NE2 3.14Å; R852-H856 PolarHBondContact O-CD2 3.05Å; R852-H856 PolarHBondContact O-N 3.05Å; I853-H856 WeakPolarHBondContact O-CB 3.3Å; I853-H856 PolarHBondContact O-N 3.41Å; I853-H856 VanDerWaalsContact O-N 3.09Å; K854-H856 PolarHBondContact O-N 2.7Å; H856-L858 VanDerWaalsContact C-N 3.28Å; H856-L858 PolarHBondContact O-N 3.3Å; H856-T859 PolarHBondContact O-N 2.83Å; H856-Q860 HydrophobicContact CB-CB 4.44Å; H856-Q860 PolarHBondContact ND1-OE1 3.46Å; H856-Q860 VanDerWaalsContact O-CB 3.32Å; H856-Q860 WeakPolarHBondContact O-CB 3.48Å; H856-Q860 PolarHBondContact O-N 2.9Å; H856-T890 HydrophobicContact CB-CG2 3.88Å
857L94.9Very high93.7Very high0 Ų057.9 Ų57.90%030%0.296CS..Hα-helixtrans-60.9-37.2176.1-64.8176.4000112.2F799 I853 K854 R861 T890 L894 Y980F799-L857 HydrophobicContact CE2-CB 3.73Å; F799-L857 HydrophobicContact CE2-CD1 4.38Å; F799-L857 HydrophobicContact CZ-CB 4.12Å; I853-L857 HydrophobicContact CG2-CD1 4.32Å; I853-L857 WeakPolarHBondContact O-CG 3.48Å; I853-L857 PolarHBondContact O-N 3.07Å; K854-L857 PolarHBondContact O-N 3.35Å; L857-R861 PolarHBondContact O-NH1 2.87Å; L857-R861 PolarHBondContact O-NH2 3.24Å; L857-T890 HydrophobicContact CD2-CG2 4.05Å; L857-T890 HydrophobicContact CG-CG2 4.28Å; L857-L894 HydrophobicContact CD1-CD1 4.3Å; L857-L894 HydrophobicContact CD2-CB 4.32Å; L857-L894 HydrophobicContact CD2-CD1 4.14Å; L857-L894 HydrophobicContact CD2-CD2 3.86Å; L857-L894 HydrophobicContact CD2-CG 4.33Å; L857-Y980 HydrophobicContact CD2-CD1 3.81Å; L857-Y980 HydrophobicContact CD2-CD2 4.04Å; L857-Y980 HydrophobicContact CD2-CE1 3.93Å; L857-Y980 HydrophobicContact CD2-CE2 4.13Å; L857-Y980 HydrophobicContact CD2-CG 3.88Å
858L93.8Very high93.8Very high83 Ų8351.8 Ų51.844%0.43527%0.268SS..Hα-helixtrans-74.8-46.5177.4-69170.5000113.2F799 K854 R855 H856 R861 N976F799-L858 HydrophobicContact CD2-CD2 4.25Å; F799-L858 HydrophobicContact CE1-CD1 4.5Å; F799-L858 HydrophobicContact CE1-CD2 4.37Å; F799-L858 HydrophobicContact CE1-CG 4.37Å; F799-L858 HydrophobicContact CE2-CD2 3.74Å; F799-L858 HydrophobicContact CE2-CG 3.92Å; F799-L858 HydrophobicContact CZ-CD1 4.17Å; F799-L858 HydrophobicContact CZ-CD2 3.83Å; F799-L858 HydrophobicContact CZ-CG 3.65Å; K854-L858 WeakPolarHBondContact O-CG 2.98Å; K854-L858 PolarHBondContact O-N 3.42Å; K854-L858 VanDerWaalsContact O-N 3.09Å; R855-L858 PolarHBondContact O-N 3.35Å; H856-L858 VanDerWaalsContact C-N 3.28Å; H856-L858 PolarHBondContact O-N 3.3Å; L858-R861 PolarHBondContact O-NH1 3.28Å; L858-R861 PolarHBondContact O-NH2 3.4Å; L858-N976 HydrophobicContact CD2-CB 4.37Å
859T93.8Very high93.8Very high99 Ų9951.6 Ų51.661%0.60727%0.267SS*.Hα-helixtrans-106.3-30.1-162.959.20000114.8R855 H856 R861R855-T859 PolarHBondContact O-N 3.06Å; R855-T859 PolarHBondContact O-OG1 3.41Å; H856-T859 PolarHBondContact O-N 2.83Å; T859-R861 PolarHBondContact O-N 3.39Å
860Q93.2Very high93.8Very high43 Ų4352.3 Ų52.320%0.20127%0.27CS..  trans-86.9118.9-170.5-166.7173.2-5.800110.9H856 A862 F863H856-Q860 HydrophobicContact CB-CB 4.44Å; H856-Q860 PolarHBondContact ND1-OE1 3.46Å; H856-Q860 VanDerWaalsContact O-CB 3.32Å; H856-Q860 WeakPolarHBondContact O-CB 3.48Å; H856-Q860 PolarHBondContact O-N 2.9Å; Q860-A862 WeakPolarHBondContact CG-O 3.44Å; Q860-A862 PolarHBondContact NE2-O 3.31Å; Q860-F863 HydrophobicContact CB-CE1 4.28Å; Q860-F863 HydrophobicContact CG-CD1 4.03Å; Q860-F863 HydrophobicContact CG-CE1 3.71Å; Q860-F863 HydrophobicContact CG-CZ 4.28Å
861R93.6Very high93.7Very high75 Ų7553 Ų5328%0.28327%0.273SS..  trans-124.9-15.1175.3-59.1-64.6177.9-93.1-1.2113.3L857 L858 T859 N976 A983L857-R861 PolarHBondContact O-NH1 2.87Å; L857-R861 PolarHBondContact O-NH2 3.24Å; L858-R861 PolarHBondContact O-NH1 3.28Å; L858-R861 PolarHBondContact O-NH2 3.4Å; T859-R861 PolarHBondContact O-N 3.39Å; R861-N976 PolarHBondContact NH2-O 2.89Å; R861-A983 HydrophobicContact CB-CB 4.26Å; R861-A983 VanDerWaalsContact O-CB 3.31Å; R861-A983 WeakPolarHBondContact O-CB 3.32Å
862A91.8Very high93.6Very high84 Ų8450.3 Ų50.369%0.69425%0.253SS*.  trans-107.5134.4169.100000109.3Q860Q860-A862 WeakPolarHBondContact CG-O 3.44Å; Q860-A862 PolarHBondContact NE2-O 3.31Å
863F94.2Very high93.5Very high30 Ų3049.4 Ų49.413%0.13225%0.251CS..  trans-124.7164.1-174.4-58.9-80000110.6Q860 E887 Y980 A983 K984 V987Q860-F863 HydrophobicContact CB-CE1 4.28Å; Q860-F863 HydrophobicContact CG-CD1 4.03Å; Q860-F863 HydrophobicContact CG-CE1 3.71Å; Q860-F863 HydrophobicContact CG-CZ 4.28Å; F863-E887 WeakPolarHBondContact CA-OE1 3.33Å; F863-E887 VanDerWaalsContact CB-OE1 3.32Å; F863-E887 WeakPolarHBondContact CB-OE1 3.22Å; F863-E887 HydrophobicContact CD1-CG 4.48Å; F863-Y980 HydrophobicContact CE1-CD2 4.24Å; F863-Y980 AromaticContact CE1-CE2 3.49Å; F863-Y980 HydrophobicContact CE1-CE2 3.49Å; F863-Y980 VanDerWaalsContact CE1-CE2 3.49Å; F863-Y980 AromaticContact CE1-CZ 3.75Å; F863-Y980 AromaticContact CZ-CD2 3.72Å; F863-Y980 HydrophobicContact CZ-CD2 3.72Å; F863-Y980 HydrophobicContact CZ-CE1 4.49Å; F863-Y980 AromaticContact CZ-CE2 3.45Å; F863-Y980 HydrophobicContact CZ-CE2 3.45Å; F863-Y980 VanDerWaalsContact CZ-CE2 3.45Å; F863-Y980 HydrophobicContact CZ-CG 4.36Å; F863-Y980 AromaticContact CZ-CZ 3.86Å; F863-A983 HydrophobicContact CE2-CB 4.12Å; F863-K984 HydrophobicContact CB-CD 4.23Å; F863-K984 HydrophobicContact CD1-CD 3.64Å; F863-K984 HydrophobicContact CD2-CB 4.2Å; F863-K984 HydrophobicContact CD2-CD 3.67Å; F863-K984 HydrophobicContact CE1-CD 3.81Å; F863-K984 VanDerWaalsContact CE2-CA 3.47Å; F863-K984 HydrophobicContact CE2-CB 3.78Å; F863-K984 HydrophobicContact CE2-CD 3.85Å; F863-K984 HydrophobicContact CE2-CG 4.46Å; F863-K984 HydrophobicContact CG-CD 3.55Å; F863-K984 HydrophobicContact CZ-CB 4.11Å; F863-K984 HydrophobicContact CZ-CD 3.92Å; F863-V987 HydrophobicContact CB-CG1 3.78Å; F863-V987 HydrophobicContact CD2-CG1 4.46Å
864K93.7Very high93.3Very high119 Ų11950.1 Ų50.152%0.51725%0.254SS..  trans-70.9165.3176.1-62.9-159.8-165.1168.40111.6E884 E887K864-E884 VanDerWaalsContact CD-CD 3.47Å; K864-E884 WeakPolarHBondContact CD-OE2 3.34Å; K864-E884 VanDerWaalsContact CE-CD 3.48Å; K864-E884 VanDerWaalsContact CE-OE1 3.22Å; K864-E884 WeakPolarHBondContact CE-OE1 3.47Å; K864-E884 WeakPolarHBondContact CE-OE2 3.43Å; K864-E884 VanDerWaalsContact CG-OE2 3.25Å; K864-E884 WeakPolarHBondContact CG-OE2 3.45Å; K864-E884 IonicContact NZ-OE1 3.67Å; K864-E884 PolarHBondContact NZ-OE1 3.13Å; K864-E884 IonicContact NZ-OE2 3.91Å; K864-E887 PolarHBondContact N-OE1 2.69Å
865E92.8Very high93.1Very high99 Ų9951.6 Ų51.646%0.46327%0.266SS..  trans-62.8148.617360.7172.1-15100111.7V988 N990E865-V988 CarbonylContact C-O 3.34Å; E865-V988 WeakPolarHBondContact CA-O 3.1Å; E865-V988 HydrophobicContact CB-CB 4Å; E865-V988 HydrophobicContact CB-CG1 4.32Å; E865-V988 WeakPolarHBondContact CB-O 3.26Å; E865-N990 PolarHBondContact OE1-ND2 2.9Å; E865-N990 PolarHBondContact OE2-ND2 3.47Å
866V94.7Very high92.8Very high0 Ų048.1 Ų48.10%026%0.256CS..EExtended strand (participates in β ladder)trans-110.6125-179.8174.10000108.9Y881 V883 V987 V988 I989 N990V866-Y881 HydrophobicContact CG1-CD1 4.03Å; V866-Y881 HydrophobicContact CG1-CG 4.37Å; V866-V883 HydrophobicContact CG1-CG2 4.21Å; V866-V883 HydrophobicContact CG2-CG2 4.31Å; V866-V987 HydrophobicContact CB-CG2 4.22Å; V866-V987 HydrophobicContact CG2-CB 4.37Å; V866-V987 HydrophobicContact CG2-CG2 3.74Å; V866-V988 PolarHBondContact N-O 2.71Å; V866-I989 WeakPolarHBondContact O-CA 3.21Å; V866-N990 PolarHBondContact O-N 3.11Å
867G93.8Very high92.7Very high28 Ų2848.4 Ų48.429%0.28926%0.258SS..EExtended strand (participates in β ladder)trans-71145.1175.400000111.2Y881 D882 N990G867-Y881 CarbonylContact O-C 3.52Å; G867-Y881 VanDerWaalsContact O-CA 3.29Å; G867-Y881 WeakPolarHBondContact O-CA 3.05Å; G867-D882 PolarHBondContact N-O 3.04Å; G867-D882 PolarHBondContact O-N 3.16Å; G867-N990 WeakPolarHBondContact CA-O 3.39Å
868I93.9Very high92.5Very high4 Ų448.9 Ų48.92%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-122.2130172.3-169.9174.5000111.8L756 F870 P879 V880 Y881 I989 N990 Y991L756-I868 HydrophobicContact CD1-CG2 4.27Å; L756-I868 HydrophobicContact CD2-CG2 4.12Å; I868-F870 HydrophobicContact CD1-CE2 4.33Å; I868-F870 HydrophobicContact CD1-CZ 4.44Å; I868-P879 HydrophobicContact CD1-CB 4.13Å; I868-V880 WeakPolarHBondContact CA-O 3.43Å; I868-Y881 HydrophobicContact CD1-CE1 3.91Å; I868-Y881 HydrophobicContact CG1-CD1 4.41Å; I868-Y881 HydrophobicContact CG1-CE1 4.28Å; I868-I989 HydrophobicContact CB-CG2 3.89Å; I868-I989 HydrophobicContact CD1-CG2 4.38Å; I868-I989 HydrophobicContact CG2-CG2 3.58Å; I868-N990 PolarHBondContact N-O 2.77Å; I868-Y991 VanDerWaalsContact O-CD2 3.23Å; I868-Y991 WeakPolarHBondContact O-CD2 3.32Å
869E91.3Very high92.5Very high110 Ų11045.2 Ų45.251%0.51424%0.242SC..EExtended strand (participates in β ladder)trans-123.7162.7167.9-65-165.6158.600110.4V880E869-V880 PolarHBondContact N-O 3.09Å; E869-V880 PolarHBondContact O-N 3.4Å
870F93.1Very high92.6Very high15 Ų1541 Ų417%0.06622%0.216CC..EExtended strand (participates in β ladder)trans-115.3130.9173.5-82.6-80.7000111.2L748 T752 Y755 I868 L877 V878 P879L748-F870 HydrophobicContact CD1-CB 3.6Å; T752-F870 HydrophobicContact CG2-CD2 3.61Å; T752-F870 HydrophobicContact CG2-CE2 3.9Å; T752-F870 VanDerWaalsContact OG1-CD2 3.28Å; T752-F870 WeakPolarHBondContact OG1-CD2 3.31Å; Y755-F870 AromaticContact CD1-CE2 3.83Å; Y755-F870 HydrophobicContact CD1-CE2 3.83Å; Y755-F870 AromaticContact CD1-CZ 3.46Å; Y755-F870 HydrophobicContact CD1-CZ 3.46Å; Y755-F870 VanDerWaalsContact CD1-CZ 3.46Å; Y755-F870 HydrophobicContact CD2-CZ 4.04Å; Y755-F870 HydrophobicContact CE1-CE2 4.45Å; Y755-F870 AromaticContact CE1-CZ 3.8Å; Y755-F870 HydrophobicContact CE1-CZ 3.8Å; Y755-F870 HydrophobicContact CE2-CZ 4.31Å; Y755-F870 HydrophobicContact CG-CE2 4.09Å; Y755-F870 AromaticContact CG-CZ 3.59Å; Y755-F870 HydrophobicContact CG-CZ 3.59Å; I868-F870 HydrophobicContact CD1-CE2 4.33Å; I868-F870 HydrophobicContact CD1-CZ 4.44Å; F870-L877 HydrophobicContact CB-CB 4.48Å; F870-L877 HydrophobicContact CD1-CB 3.59Å; F870-L877 HydrophobicContact CD1-CD1 4.35Å; F870-L877 HydrophobicContact CE1-CB 4.16Å; F870-L877 HydrophobicContact CG-CB 4.31Å; F870-L877 HydrophobicContact CG-CD1 4.44Å; F870-V878 WeakPolarHBondContact CA-O 3.26Å; F870-P879 HydrophobicContact CD1-CB 4.37Å; F870-P879 HydrophobicContact CE1-CB 3.85Å; F870-P879 HydrophobicContact CZ-CB 4.28Å
871M91.1Very high92.6Very high21 Ų2139.6 Ų39.610%0.10321%0.209CC..EExtended strand (participates in β ladder)trans-84.8121166.4179.857.7168.900109.7L873 L877 V878 V880 L1422 Q1424M871-L873 HydrophobicContact CE-CD2 4.02Å; M871-L873 HydrophobicContact CG-CD2 4.12Å; M871-L873 HydrophobicContact CG-CG 4.43Å; M871-L873 PolarHBondContact O-N 3.25Å; M871-L877 WeakPolarHBondContact O-CA 3.4Å; M871-V878 HydrophobicContact CB-CB 4.34Å; M871-V878 PolarHBondContact N-O 3.5Å; M871-V878 PolarHBondContact O-N 2.89Å; M871-V878 VanDerWaalsContact O-N 3.08Å; M871-V880 HydrophobicContact CB-CG2 4.18Å; M871-L1422 HydrophobicContact CB-CD1 4.05Å; M871-L1422 HydrophobicContact SD-CD1 4.33Å; M871-L1422 VanDerWaalsContact SD-O 3.34Å; M871-Q1424 HydrophobicContact CE-CB 4.14Å
872D91.7Very high92.5Very high15 Ų1539.9 Ų39.98%0.0822%0.216CC..EExtended strand (participates in β ladder)trans-87.8108.1177.5-169.813.1000110.7R730 L748 Y874 L877R730-D872 IonicContact CZ-OD1 3Å; R730-D872 IonicContact NH1-OD1 3.05Å; R730-D872 PolarHBondContact NH1-OD1 2.83Å; L748-D872 HydrophobicContact CD1-CB 4.08Å; L748-D872 HydrophobicContact CD2-CB 4.28Å; D872-Y874 VanDerWaalsContact C-N 3.29Å; D872-Y874 VanDerWaalsContact OD1-CA 3.31Å; D872-Y874 WeakPolarHBondContact OD1-CA 3.43Å; D872-Y874 PolarHBondContact OD1-N 3.23Å; D872-Y874 WeakPolarHBondContact OD2-CD1 3.44Å; D872-L877 HydrophobicContact CB-CD2 4.02Å; D872-L877 WeakPolarHBondContact OD1-CD2 3.36Å
873L90.7Very high92.6Very high19 Ų1936.1 Ų36.110%0.09919%0.185CC..  trans-92.712171.7-60.9-179000112.1M871 S875 H876 V878 N1216M871-L873 HydrophobicContact CE-CD2 4.02Å; M871-L873 HydrophobicContact CG-CD2 4.12Å; M871-L873 HydrophobicContact CG-CG 4.43Å; M871-L873 PolarHBondContact O-N 3.25Å; L873-S875 PolarHBondContact O-N 3.46Å; L873-H876 VanDerWaalsContact CD1-NE2 3.34Å; L873-H876 WeakPolarHBondContact CD1-NE2 3.45Å; L873-H876 PolarHBondContact N-O 3.41Å; L873-V878 HydrophobicContact CD1-CG2 3.75Å; L873-V878 HydrophobicContact CG-CG2 4.48Å; L873-N1216 VanDerWaalsContact O-CB 3.28Å; L873-N1216 WeakPolarHBondContact O-CB 3.38Å; L873-N1216 PolarHBondContact O-ND2 3.31Å
874Y91.8Very high92.5Very high16 Ų1636.3 Ų36.36%0.06319%0.186CC..SBendtrans64.8-24.1179.9-54.7-47.2000117R730 I733 R734 D872 N1216 R1219 Q1220R730-Y874 PolarHBondContact NH1-O 3.37Å; I733-Y874 HydrophobicContact CG2-CD1 3.63Å; I733-Y874 HydrophobicContact CG2-CG 4.1Å; R734-Y874 WeakPolarHBondContact CA-O 3.14Å; D872-Y874 VanDerWaalsContact C-N 3.29Å; D872-Y874 VanDerWaalsContact OD1-CA 3.31Å; D872-Y874 WeakPolarHBondContact OD1-CA 3.43Å; D872-Y874 PolarHBondContact OD1-N 3.23Å; D872-Y874 WeakPolarHBondContact OD2-CD1 3.44Å; Y874-N1216 HydrophobicContact CD2-CB 3.97Å; Y874-N1216 WeakPolarHBondContact CE2-O 3.36Å; Y874-R1219 HydrophobicContact CD2-CB 4.04Å; Y874-R1219 HydrophobicContact CE2-CB 3.8Å; Y874-Q1220 HydrophobicContact CE2-CB 3.82Å; Y874-Q1220 HydrophobicContact CE2-CG 4.32Å; Y874-Q1220 WeakPolarHBondContact OH-CA 3.35Å
875S89.9Confident92.5Very high46 Ų4631.1 Ų31.132%0.32217%0.165SC..SBendtrans-96-51.3171.951.20000111.9R730 L873R730-S875 PolarHBondContact NH2-O 2.57Å; L873-S875 PolarHBondContact O-N 3.46Å
876H90.3Very high92.4Very high70 Ų7029 Ų2932%0.32416%0.156SC..SBendtrans-125.6179.4171.460-89.7000111.4R730 L873R730-H876 PolarHBondContact NH2-O 3.29Å; L873-H876 VanDerWaalsContact CD1-NE2 3.34Å; L873-H876 WeakPolarHBondContact CD1-NE2 3.45Å; L873-H876 PolarHBondContact N-O 3.41Å
877L91.9Very high92.4Very high40 Ų4029.1 Ų29.121%0.20916%0.157CC..EExtended strand (participates in β ladder)trans-120.1140.8175.6-58.8-178.1000108.7L748 L751 F870 M871 D872L748-L877 HydrophobicContact CD1-CD1 4.29Å; L748-L877 HydrophobicContact CD1-CD2 3.76Å; L751-L877 HydrophobicContact CB-CD1 3.66Å; L751-L877 HydrophobicContact CD1-CD1 3.91Å; L751-L877 HydrophobicContact CG-CD1 4.44Å; F870-L877 HydrophobicContact CB-CB 4.48Å; F870-L877 HydrophobicContact CD1-CB 3.59Å; F870-L877 HydrophobicContact CD1-CD1 4.35Å; F870-L877 HydrophobicContact CE1-CB 4.16Å; F870-L877 HydrophobicContact CG-CB 4.31Å; F870-L877 HydrophobicContact CG-CD1 4.44Å; M871-L877 WeakPolarHBondContact O-CA 3.4Å; D872-L877 HydrophobicContact CB-CD2 4.02Å; D872-L877 WeakPolarHBondContact OD1-CD2 3.36Å
878V92.1Very high92.4Very high10 Ų1028.6 Ų28.66%0.06115%0.147CC..EExtended strand (participates in β ladder)trans-111.7124.7176.5178.20000109F870 M871 L873 Q1418 Y1419F870-V878 WeakPolarHBondContact CA-O 3.26Å; M871-V878 HydrophobicContact CB-CB 4.34Å; M871-V878 PolarHBondContact N-O 3.5Å; M871-V878 PolarHBondContact O-N 2.89Å; M871-V878 VanDerWaalsContact O-N 3.08Å; L873-V878 HydrophobicContact CD1-CG2 3.75Å; L873-V878 HydrophobicContact CG-CG2 4.48Å; V878-Q1418 HydrophobicContact CG1-CG 4.34Å; V878-Y1419 HydrophobicContact CG1-CD1 3.7Å; V878-Y1419 HydrophobicContact CG1-CE1 3.79Å
879P94.1Very high92.5Very high6 Ų628.5 Ų28.54%0.03915%0.146CC..EExtended strand (participates in β ladder)trans-72.1133176.229.7-32.8000110I868 F870 Y881 Y1419I868-P879 HydrophobicContact CD1-CB 4.13Å; F870-P879 HydrophobicContact CD1-CB 4.37Å; F870-P879 HydrophobicContact CE1-CB 3.85Å; F870-P879 HydrophobicContact CZ-CB 4.28Å; P879-Y881 HydrophobicContact CB-CE2 3.98Å; P879-Y881 HydrophobicContact CG-CE2 4.19Å; P879-Y1419 HydrophobicContact CG-CD1 4.31Å; P879-Y1419 WeakPolarHBondContact O-CA 3.36Å; P879-Y1419 WeakPolarHBondContact O-CD1 3.38Å
880V94.1Very high92.7Very high10 Ų1023.3 Ų23.36%0.06112%0.122CC..EExtended strand (participates in β ladder)trans-120.8117.7178.7-176.90000107.9I868 E869 M871 Y1419 L1422I868-V880 WeakPolarHBondContact CA-O 3.43Å; E869-V880 PolarHBondContact N-O 3.09Å; E869-V880 PolarHBondContact O-N 3.4Å; M871-V880 HydrophobicContact CB-CG2 4.18Å; V880-Y1419 CarbonylContact C-O 3.57Å; V880-Y1419 VanDerWaalsContact CA-O 3.31Å; V880-Y1419 WeakPolarHBondContact CA-O 3.46Å; V880-L1422 HydrophobicContact CG2-CD1 4.13Å
881Y94.4Very high92.9Very high14 Ų1422.6 Ų22.66%0.05512%0.119CC..EExtended strand (participates in β ladder)trans-97.8134.1-177.1-57.2-89.4000110.7V866 G867 I868 P879 I989 I1003 R1004 G1005 Y1419V866-Y881 HydrophobicContact CG1-CD1 4.03Å; V866-Y881 HydrophobicContact CG1-CG 4.37Å; G867-Y881 CarbonylContact O-C 3.52Å; G867-Y881 VanDerWaalsContact O-CA 3.29Å; G867-Y881 WeakPolarHBondContact O-CA 3.05Å; I868-Y881 HydrophobicContact CD1-CE1 3.91Å; I868-Y881 HydrophobicContact CG1-CD1 4.41Å; I868-Y881 HydrophobicContact CG1-CE1 4.28Å; P879-Y881 HydrophobicContact CB-CE2 3.98Å; P879-Y881 HydrophobicContact CG-CE2 4.19Å; Y881-I989 HydrophobicContact CE1-CD1 4.25Å; Y881-I1003 HydrophobicContact CD1-CG2 3.75Å; Y881-I1003 HydrophobicContact CD2-CG2 4.11Å; Y881-I1003 HydrophobicContact CE1-CG2 4.02Å; Y881-I1003 HydrophobicContact CE2-CG2 4.35Å; Y881-I1003 HydrophobicContact CG-CG2 3.79Å; Y881-R1004 HydrophobicContact CE2-CB 4.12Å; Y881-G1005 VanDerWaalsContact CD2-N 3.33Å; Y881-Y1419 PolarHBondContact N-O 2.68Å
882D91.6Very high93Very high81 Ų8121.8 Ų21.843%0.43312%0.115SC..EExtended strand (participates in β ladder)trans-107.399.3177.5-164.115.8000109.3G867G867-D882 PolarHBondContact N-O 3.04Å; G867-D882 PolarHBondContact O-N 3.16Å
883V93.4Very high93.2Very high6 Ų621 Ų214%0.03611%0.111CC..  trans-89.8147.1-179.3-177.60000110.1V866 E887 K888 L1006V866-V883 HydrophobicContact CG1-CG2 4.21Å; V866-V883 HydrophobicContact CG2-CG2 4.31Å; V883-E887 HydrophobicContact CG1-CB 4.12Å; V883-K888 WeakPolarHBondContact O-CE 3.49Å; V883-K888 PolarHBondContact O-NZ 3.23Å; V883-L1006 HydrophobicContact CG2-CD2 4.18Å
884E92.6Very high93.5Very high33 Ų3320.1 Ų20.115%0.15411%0.107CC..  trans-56.2136.6176.5-177.3178-158.700111.9K864 L886 E887 K888K864-E884 VanDerWaalsContact CD-CD 3.47Å; K864-E884 WeakPolarHBondContact CD-OE2 3.34Å; K864-E884 VanDerWaalsContact CE-CD 3.48Å; K864-E884 VanDerWaalsContact CE-OE1 3.22Å; K864-E884 WeakPolarHBondContact CE-OE1 3.47Å; K864-E884 WeakPolarHBondContact CE-OE2 3.43Å; K864-E884 VanDerWaalsContact CG-OE2 3.25Å; K864-E884 WeakPolarHBondContact CG-OE2 3.45Å; K864-E884 IonicContact NZ-OE1 3.67Å; K864-E884 PolarHBondContact NZ-OE1 3.13Å; K864-E884 IonicContact NZ-OE2 3.91Å; E884-L886 PolarHBondContact O-N 2.65Å; E884-E887 HydrophobicContact CB-CB 4.33Å; E884-E887 HydrophobicContact CB-CG 4Å; E884-E887 HydrophobicContact CG-CG 4.48Å; E884-E887 PolarHBondContact O-N 3.11Å; E884-K888 VanDerWaalsContact O-CB 3.3Å; E884-K888 WeakPolarHBondContact O-CB 3.43Å; E884-K888 PolarHBondContact O-N 3.15Å
885P92.3Very high93.7Very high11 Ų1119.4 Ų19.47%0.07110%0.104CC..Hα-helixtrans-55.3-41.7-177.5-31.639000116.7E835 L838 K888 I889E835-P885 HydrophobicContact CB-CB 3.81Å; E835-P885 HydrophobicContact CB-CG 3.8Å; E835-P885 HydrophobicContact CG-CB 4.01Å; E835-P885 HydrophobicContact CG-CG 4.32Å; L838-P885 HydrophobicContact CD1-CB 3.72Å; P885-K888 WeakPolarHBondContact O-CB 3.31Å; P885-K888 PolarHBondContact O-N 3.22Å; P885-I889 WeakPolarHBondContact O-CG1 3.19Å; P885-I889 PolarHBondContact O-N 2.89Å
886L92.7Very high93.9Very high54 Ų5417.3 Ų17.328%0.2839%0.089SC..Hα-helixtrans-64-44.1178.4-79.6172.1000111.9L838 E884 K888 I889 T890L838-L886 HydrophobicContact CD1-CD2 3.81Å; L838-L886 HydrophobicContact CD1-CG 3.72Å; L838-L886 HydrophobicContact CD2-CD2 3.62Å; L838-L886 HydrophobicContact CD2-CG 4.32Å; L838-L886 HydrophobicContact CG-CD2 4.31Å; E884-L886 PolarHBondContact O-N 2.65Å; L886-K888 VanDerWaalsContact C-N 3.31Å; L886-I889 PolarHBondContact O-N 3.07Å; L886-T890 PolarHBondContact O-N 3.02Å; L886-T890 PolarHBondContact O-OG1 3.4Å
887E94.6Very high94.2Very high3 Ų314 Ų141%0.0147%0.074CC..Hα-helixtrans-65.5-40176.4-56.8-179.7150.900110F863 K864 V883 E884 I889 T890 D891 K984F863-E887 WeakPolarHBondContact CA-OE1 3.33Å; F863-E887 VanDerWaalsContact CB-OE1 3.32Å; F863-E887 WeakPolarHBondContact CB-OE1 3.22Å; F863-E887 HydrophobicContact CD1-CG 4.48Å; K864-E887 PolarHBondContact N-OE1 2.69Å; V883-E887 HydrophobicContact CG1-CB 4.12Å; E884-E887 HydrophobicContact CB-CB 4.33Å; E884-E887 HydrophobicContact CB-CG 4Å; E884-E887 HydrophobicContact CG-CG 4.48Å; E884-E887 PolarHBondContact O-N 3.11Å; E887-I889 VanDerWaalsContact C-N 3.33Å; E887-I889 PolarHBondContact O-N 3.49Å; E887-T890 WeakPolarHBondContact O-CB 3.17Å; E887-T890 PolarHBondContact O-N 3.22Å; E887-T890 VanDerWaalsContact O-N 3.11Å; E887-D891 WeakPolarHBondContact O-CB 3.19Å; E887-D891 PolarHBondContact O-N 2.79Å; E887-K984 IonicContact OE1-NZ 2.77Å; E887-K984 IonicContact OE2-NZ 3.72Å; E887-K984 PolarHBondContact OE2-NZ 2.96Å
888K93.5Very high94.4Very high16 Ų1612.1 Ų12.17%0.076%0.064CC..Hα-helixtrans-62.5-35.7179.1-160.6-175.1-61.11730113.1L818 E835 V883 E884 P885 L886 A892 Q1007L818-K888 HydrophobicContact CD2-CD 3.76Å; L818-K888 HydrophobicContact CD2-CG 3.71Å; E835-K888 VanDerWaalsContact OE1-CD 3.25Å; E835-K888 WeakPolarHBondContact OE1-CD 3.39Å; E835-K888 IonicContact OE1-NZ 3.41Å; E835-K888 PolarHBondContact OE1-NZ 3.18Å; E835-K888 IonicContact OE2-NZ 3.91Å; E835-K888 PolarHBondContact OE2-NZ 3.25Å; V883-K888 WeakPolarHBondContact O-CE 3.49Å; V883-K888 PolarHBondContact O-NZ 3.23Å; E884-K888 VanDerWaalsContact O-CB 3.3Å; E884-K888 WeakPolarHBondContact O-CB 3.43Å; E884-K888 PolarHBondContact O-N 3.15Å; P885-K888 WeakPolarHBondContact O-CB 3.31Å; P885-K888 PolarHBondContact O-N 3.22Å; L886-K888 VanDerWaalsContact C-N 3.31Å; K888-A892 WeakPolarHBondContact O-CB 3.39Å; K888-A892 PolarHBondContact O-N 3.17Å; K888-Q1007 HydrophobicContact CG-CG 4.4Å
889I95.2Very high94.6Very high2 Ų212.8 Ų12.81%0.017%0.065CC..Hα-helixtrans-65.6-45172.8-68.9170.2000110.7L815 L818 L838 I853 P885 L886 E887 A892 Y893L815-I889 HydrophobicContact CD2-CG1 4.43Å; L815-I889 HydrophobicContact CD2-CG2 4.37Å; L818-I889 HydrophobicContact CD1-CB 4.47Å; L818-I889 HydrophobicContact CD1-CG1 3.79Å; L838-I889 HydrophobicContact CB-CD1 3.72Å; I853-I889 HydrophobicContact CD1-CG2 4.04Å; I853-I889 HydrophobicContact CG1-CG2 4.38Å; P885-I889 WeakPolarHBondContact O-CG1 3.19Å; P885-I889 PolarHBondContact O-N 2.89Å; L886-I889 PolarHBondContact O-N 3.07Å; E887-I889 VanDerWaalsContact C-N 3.33Å; E887-I889 PolarHBondContact O-N 3.49Å; I889-A892 PolarHBondContact O-N 2.78Å; I889-Y893 PolarHBondContact O-N 3.22Å
890T96Very high94.6Very high1 Ų113.9 Ų13.91%0.0067%0.069CC..Hα-helixtrans-60.6-48.8176-50.90000111.2I853 H856 L857 L886 E887 A892 Y893 L894 Y980I853-T890 HydrophobicContact CG2-CG2 4.2Å; H856-T890 HydrophobicContact CB-CG2 3.88Å; L857-T890 HydrophobicContact CD2-CG2 4.05Å; L857-T890 HydrophobicContact CG-CG2 4.28Å; L886-T890 PolarHBondContact O-N 3.02Å; L886-T890 PolarHBondContact O-OG1 3.4Å; E887-T890 WeakPolarHBondContact O-CB 3.17Å; E887-T890 PolarHBondContact O-N 3.22Å; E887-T890 VanDerWaalsContact O-N 3.11Å; T890-A892 VanDerWaalsContact C-N 3.33Å; T890-A892 PolarHBondContact O-N 2.93Å; T890-Y893 PolarHBondContact O-N 2.88Å; T890-L894 WeakPolarHBondContact O-CB 3.15Å; T890-L894 PolarHBondContact O-N 3.47Å; T890-Y980 HydrophobicContact CG2-CE2 4.32Å; T890-Y980 VanDerWaalsContact CG2-OH 3.29Å; T890-Y980 WeakPolarHBondContact CG2-OH 3Å
891D95.9Very high94.6Very high1 Ų113.6 Ų13.61%0.0057%0.067CC..Hα-helixtrans-61.5-40.1178.6-65.4-16.1000111.5E887 L894 D895 Y980 K984 Q1007 F1008E887-D891 WeakPolarHBondContact O-CB 3.19Å; E887-D891 PolarHBondContact O-N 2.79Å; D891-L894 PolarHBondContact O-N 3.19Å; D891-D895 WeakPolarHBondContact O-CB 3.31Å; D891-D895 PolarHBondContact O-N 2.66Å; D891-Y980 PolarHBondContact OD1-OH 3.04Å; D891-Y980 VanDerWaalsContact OD1-OH 3.1Å; D891-K984 VanDerWaalsContact OD2-CE 3.3Å; D891-K984 WeakPolarHBondContact OD2-CE 3.38Å; D891-Q1007 HydrophobicContact CB-CB 3.86Å; D891-Q1007 HydrophobicContact CB-CG 3.83Å; D891-F1008 HydrophobicContact CB-CD1 4.09Å; D891-F1008 HydrophobicContact CB-CE1 4.13Å; D891-F1008 WeakPolarHBondContact OD1-CE1 3.44Å
892A94.7Very high94.6Very high3 Ų313 Ų133%0.0256%0.064CC..Hα-helixtrans-69.7-40.5-179.700000112.3A814 L818 K888 I889 T890 Q896 Q1007A814-A892 HydrophobicContact CB-CB 3.83Å; L818-A892 HydrophobicContact CD1-CB 4.03Å; L818-A892 HydrophobicContact CD2-CB 4.26Å; L818-A892 HydrophobicContact CG-CB 4.17Å; K888-A892 WeakPolarHBondContact O-CB 3.39Å; K888-A892 PolarHBondContact O-N 3.17Å; I889-A892 PolarHBondContact O-N 2.78Å; T890-A892 VanDerWaalsContact C-N 3.33Å; T890-A892 PolarHBondContact O-N 2.93Å; A892-Q896 VanDerWaalsContact O-CG 3.31Å; A892-Q896 WeakPolarHBondContact O-CG 2.95Å; A892-Q896 PolarHBondContact O-N 3.06Å; A892-Q896 VanDerWaalsContact O-N 3.12Å; A892-Q1007 HydrophobicContact CB-CG 4.08Å
893Y96.5Very high94.6Very high0 Ų013.1 Ų13.10%07%0.065CC..Hα-helixtrans-65.2-43.1173.2170.8-88.3000110.9P800 D807 L810 L811 L850 I853 I889 T890 D895 Q896 Y897P800-Y893 HydrophobicContact CG-CE1 4.23Å; D807-Y893 PolarHBondContact OD1-OH 3.33Å; L810-Y893 HydrophobicContact CB-CD2 4.34Å; L810-Y893 HydrophobicContact CB-CE2 4.19Å; L811-Y893 HydrophobicContact CB-CD2 4.35Å; L850-Y893 HydrophobicContact CD2-CD2 3.93Å; L850-Y893 HydrophobicContact CD2-CE2 3.37Å; I853-Y893 HydrophobicContact CD1-CG 4.17Å; I853-Y893 HydrophobicContact CG2-CD1 3.34Å; I853-Y893 HydrophobicContact CG2-CE1 3.83Å; I853-Y893 HydrophobicContact CG2-CG 3.87Å; I889-Y893 PolarHBondContact O-N 3.22Å; T890-Y893 PolarHBondContact O-N 2.88Å; Y893-D895 PolarHBondContact O-N 3.38Å; Y893-Q896 PolarHBondContact O-N 2.84Å; Y893-Y897 WeakPolarHBondContact O-CB 3.02Å; Y893-Y897 PolarHBondContact O-N 3.39Å
894L95.8Very high94.4Very high0 Ų018.9 Ų18.90%09%0.09CC..Hα-helixtrans-62-43.8177.6-178.663.2000111.6L857 T890 D891 Q896 Y897 L898 I977 Y980 M981 F1008L857-L894 HydrophobicContact CD1-CD1 4.3Å; L857-L894 HydrophobicContact CD2-CB 4.32Å; L857-L894 HydrophobicContact CD2-CD1 4.14Å; L857-L894 HydrophobicContact CD2-CD2 3.86Å; L857-L894 HydrophobicContact CD2-CG 4.33Å; T890-L894 WeakPolarHBondContact O-CB 3.15Å; T890-L894 PolarHBondContact O-N 3.47Å; D891-L894 PolarHBondContact O-N 3.19Å; L894-Q896 PolarHBondContact O-N 3.5Å; L894-Y897 PolarHBondContact O-N 3.01Å; L894-L898 HydrophobicContact CD1-CD1 4.14Å; L894-L898 HydrophobicContact CD1-CD2 4.5Å; L894-L898 HydrophobicContact CD1-CG 4.02Å; L894-L898 HydrophobicContact CD2-CD1 4.42Å; L894-L898 HydrophobicContact CG-CD1 3.87Å; L894-L898 HydrophobicContact CG-CG 4.2Å; L894-L898 WeakPolarHBondContact O-CB 3.49Å; L894-L898 VanDerWaalsContact O-CG 3.25Å; L894-L898 WeakPolarHBondContact O-CG 3.23Å; L894-L898 PolarHBondContact O-N 3.34Å; L894-I977 HydrophobicContact CD1-CD1 4.44Å; L894-I977 HydrophobicContact CD1-CG2 3.84Å; L894-I977 HydrophobicContact CD2-CG2 4.37Å; L894-Y980 HydrophobicContact CD2-CD1 3.72Å; L894-Y980 HydrophobicContact CD2-CE1 3.99Å; L894-M981 HydrophobicContact CD2-CG 4Å; L894-F1008 HydrophobicContact CD2-CD1 3.98Å; L894-F1008 HydrophobicContact CD2-CE1 4.24Å; L894-F1008 HydrophobicContact CD2-CG 4.45Å
895D95.7Very high94.4Very high1 Ų120.4 Ų20.41%0.0059%0.094CC..Hα-helixtrans-57.9-47.7175.3176.877.3000111.7D891 Y893 Y897 L898 W899 Q1007 F1008 S1010 R1413D891-D895 WeakPolarHBondContact O-CB 3.31Å; D891-D895 PolarHBondContact O-N 2.66Å; Y893-D895 PolarHBondContact O-N 3.38Å; D895-Y897 VanDerWaalsContact C-N 3.34Å; D895-Y897 PolarHBondContact O-N 2.8Å; D895-L898 PolarHBondContact O-N 2.94Å; D895-W899 VanDerWaalsContact O-CD1 3.25Å; D895-W899 PolarHBondContact O-N 2.98Å; D895-W899 PolarHBondContact OD1-NE1 3.31Å; D895-Q1007 HydrophobicContact CB-CB 4.13Å; D895-Q1007 VanDerWaalsContact OD1-O 3.11Å; D895-F1008 HydrophobicContact CB-CB 4.07Å; D895-F1008 WeakPolarHBondContact OD1-CA 3.43Å; D895-S1010 PolarHBondContact OD1-OG 3.3Å; D895-S1010 VanDerWaalsContact OD1-OG 3.08Å; D895-R1413 IonicContact OD2-CZ 2.91Å; D895-R1413 IonicContact OD2-NE 2.63Å; D895-R1413 PolarHBondContact OD2-NE 3.16Å; D895-R1413 IonicContact OD2-NH2 2.61Å; D895-R1413 PolarHBondContact OD2-NH2 3.33Å
896Q95.1Very high94.4Very high2 Ų227 Ų271%0.00912%0.118CC..Hα-helixtrans-61.3-42.4177.1-70-70.46.700112.1L810 L813 A814 A892 Y893 L894 Y900 D1407L810-Q896 HydrophobicContact CB-CB 4.32Å; L810-Q896 HydrophobicContact CD2-CB 4.21Å; L813-Q896 HydrophobicContact CB-CG 4.34Å; A814-Q896 HydrophobicContact CB-CG 4.17Å; A892-Q896 VanDerWaalsContact O-CG 3.31Å; A892-Q896 WeakPolarHBondContact O-CG 2.95Å; A892-Q896 PolarHBondContact O-N 3.06Å; A892-Q896 VanDerWaalsContact O-N 3.12Å; Y893-Q896 PolarHBondContact O-N 2.84Å; L894-Q896 PolarHBondContact O-N 3.5Å; Q896-Y900 VanDerWaalsContact O-CB 3.3Å; Q896-Y900 WeakPolarHBondContact O-CB 3.41Å; Q896-Y900 PolarHBondContact O-N 3.41Å; Q896-Y900 VanDerWaalsContact O-N 3.1Å; Q896-D1407 PolarHBondContact NE2-OD1 3.5Å; Q896-D1407 VanDerWaalsContact NE2-OD1 3.07Å; Q896-D1407 PolarHBondContact OE1-OD1 3.21Å
897Y95.9Very high94.4Very high1 Ų124.8 Ų24.80%0.00411%0.106CC..Hα-helixtrans-63.4-48177.6179.8-104.4000112.4I797 P798 P800 Y804 L810 Y893 L894 D895 Y900 E901 I977I797-Y897 HydrophobicContact CG2-CE1 3.73Å; P798-Y897 WeakPolarHBondContact O-CE1 3.16Å; P798-Y897 PolarHBondContact O-OH 3.31Å; P800-Y897 HydrophobicContact CB-CD2 4.47Å; P800-Y897 HydrophobicContact CB-CE2 4.14Å; P800-Y897 HydrophobicContact CG-CD1 3.82Å; P800-Y897 HydrophobicContact CG-CD2 4.09Å; P800-Y897 HydrophobicContact CG-CE1 3.65Å; P800-Y897 HydrophobicContact CG-CE2 3.95Å; P800-Y897 HydrophobicContact CG-CG 4.03Å; Y804-Y897 HydrophobicContact CE1-CD2 4.31Å; Y804-Y897 HydrophobicContact CE1-CE2 4.14Å; Y804-Y897 HydrophobicContact CE2-CE2 4.22Å; Y804-Y897 AromaticContact CZ-CE2 3.88Å; L810-Y897 HydrophobicContact CD1-CD2 3.93Å; Y893-Y897 WeakPolarHBondContact O-CB 3.02Å; Y893-Y897 PolarHBondContact O-N 3.39Å; L894-Y897 PolarHBondContact O-N 3.01Å; D895-Y897 VanDerWaalsContact C-N 3.34Å; D895-Y897 PolarHBondContact O-N 2.8Å; Y897-Y900 PolarHBondContact O-N 3.14Å; Y897-E901 HydrophobicContact CD2-CG 4.36Å; Y897-E901 HydrophobicContact CE1-CG 4.36Å; Y897-E901 HydrophobicContact CE2-CG 3.87Å; Y897-E901 PolarHBondContact O-N 3.16Å; Y897-I977 HydrophobicContact CE1-CD1 4.27Å
898L95.7Very high94.3Very high0 Ų026.5 Ų26.50%011%0.114CC..Hα-helixtrans-62.5-48.1-178.9-73.3174.7000111.7I797 L894 D895 Y900 E901 A902 V973 I977 M981 F1008 F1011I797-L898 HydrophobicContact CD1-CD2 4.39Å; L894-L898 HydrophobicContact CD1-CD1 4.14Å; L894-L898 HydrophobicContact CD1-CD2 4.5Å; L894-L898 HydrophobicContact CD1-CG 4.02Å; L894-L898 HydrophobicContact CD2-CD1 4.42Å; L894-L898 HydrophobicContact CG-CD1 3.87Å; L894-L898 HydrophobicContact CG-CG 4.2Å; L894-L898 WeakPolarHBondContact O-CB 3.49Å; L894-L898 VanDerWaalsContact O-CG 3.25Å; L894-L898 WeakPolarHBondContact O-CG 3.23Å; L894-L898 PolarHBondContact O-N 3.34Å; D895-L898 PolarHBondContact O-N 2.94Å; L898-Y900 VanDerWaalsContact C-N 3.35Å; L898-Y900 PolarHBondContact O-N 3.41Å; L898-E901 PolarHBondContact O-N 3.31Å; L898-A902 WeakPolarHBondContact O-CB 3.43Å; L898-A902 PolarHBondContact O-N 2.86Å; L898-V973 HydrophobicContact CD2-CG1 3.6Å; L898-I977 HydrophobicContact CD2-CG2 4.24Å; L898-M981 HydrophobicContact CD1-CE 4.06Å; L898-M981 HydrophobicContact CD1-SD 3.75Å; L898-F1008 HydrophobicContact CD1-CB 4.25Å; L898-F1011 HydrophobicContact CB-CD2 4.1Å; L898-F1011 HydrophobicContact CB-CE2 4.26Å; L898-F1011 HydrophobicContact CB-CG 4.23Å; L898-F1011 HydrophobicContact CD1-CD1 3.98Å; L898-F1011 HydrophobicContact CD1-CE1 4.34Å; L898-F1011 HydrophobicContact CD1-CG 4.27Å; L898-F1011 HydrophobicContact CD2-CE1 4.37Å; L898-F1011 HydrophobicContact CD2-CZ 4.48Å
899W96.2Very high94.2Very high23 Ų2326.1 Ų26.19%0.08711%0.112CC..Hα-helixtrans-64.8-39.5179.3-81.9108.2000112.6D895 D903 F908 S1010 F1011 Q1014 K1408 V1412D895-W899 VanDerWaalsContact O-CD1 3.25Å; D895-W899 PolarHBondContact O-N 2.98Å; D895-W899 PolarHBondContact OD1-NE1 3.31Å; W899-D903 WeakPolarHBondContact O-CB 3.35Å; W899-D903 PolarHBondContact O-N 3Å; W899-F908 HydrophobicContact CE3-CD2 4.44Å; W899-F908 HydrophobicContact CE3-CE2 4.04Å; W899-F908 HydrophobicContact CH2-CD2 4.29Å; W899-F908 AromaticContact CH2-CE2 3.75Å; W899-F908 HydrophobicContact CH2-CE2 3.75Å; W899-F908 HydrophobicContact CH2-CZ 4.2Å; W899-F908 AromaticContact CZ3-CD2 3.71Å; W899-F908 HydrophobicContact CZ3-CD2 3.71Å; W899-F908 AromaticContact CZ3-CE2 3.43Å; W899-F908 HydrophobicContact CZ3-CE2 3.43Å; W899-F908 VanDerWaalsContact CZ3-CE2 3.43Å; W899-F908 HydrophobicContact CZ3-CZ 4.32Å; W899-S1010 PolarHBondContact NE1-OG 3.28Å; W899-F1011 HydrophobicContact CD2-CD2 4.42Å; W899-F1011 HydrophobicContact CZ2-CB 4.28Å; W899-Q1014 HydrophobicContact CH2-CB 4.2Å; W899-Q1014 HydrophobicContact CH2-CG 4.01Å; W899-Q1014 HydrophobicContact CZ2-CG 4.35Å; W899-K1408 HydrophobicContact CB-CB 4.14Å; W899-K1408 VanDerWaalsContact CB-O 3.3Å; W899-K1408 WeakPolarHBondContact CB-O 3.47Å; W899-V1412 HydrophobicContact CH2-CG1 3.73Å; W899-V1412 HydrophobicContact CZ2-CG1 3.41Å; W899-V1412 VanDerWaalsContact CZ2-CG1 3.41Å; W899-V1412 HydrophobicContact CZ3-CG1 4.45Å
900Y95.1Very high94Very high29 Ų2927.7 Ų27.711%0.11412%0.123CC..Hα-helixtrans-63.9-49.1177.1175-112.8000112.3Y804 H806 L810 Q896 Y897 L898 K904 Y1406 K1408Y804-Y900 VanDerWaalsContact OH-CD1 3.32Å; Y804-Y900 WeakPolarHBondContact OH-CD1 3.41Å; Y804-Y900 WeakPolarHBondContact OH-CE1 3.4Å; H806-Y900 AromaticContact CD2-CE1 3.89Å; L810-Y900 HydrophobicContact CD2-CG 4.39Å; Q896-Y900 VanDerWaalsContact O-CB 3.3Å; Q896-Y900 WeakPolarHBondContact O-CB 3.41Å; Q896-Y900 PolarHBondContact O-N 3.41Å; Q896-Y900 VanDerWaalsContact O-N 3.1Å; Y897-Y900 PolarHBondContact O-N 3.14Å; L898-Y900 VanDerWaalsContact C-N 3.35Å; L898-Y900 PolarHBondContact O-N 3.41Å; Y900-K904 VanDerWaalsContact O-CB 3.3Å; Y900-K904 WeakPolarHBondContact O-CB 3.45Å; Y900-K904 PolarHBondContact O-N 3.02Å; Y900-K904 VanDerWaalsContact O-N 3.09Å; Y900-Y1406 HydrophobicContact CD2-CD1 4.09Å; Y900-Y1406 HydrophobicContact CE1-CD1 4.34Å; Y900-Y1406 AromaticContact CE2-CD1 3.5Å; Y900-Y1406 HydrophobicContact CE2-CD1 3.5Å; Y900-Y1406 HydrophobicContact CE2-CE1 4.14Å; Y900-Y1406 AromaticContact CZ-CD1 3.63Å; Y900-Y1406 AromaticContact CZ-CE1 3.94Å; Y900-K1408 HydrophobicContact CD2-CG 4.17Å
901E94.6Very high93.9Very high5 Ų528 Ų282%0.02312%0.124CC..Hα-helixtrans-69.8-34.3179.6-73.8-70.3156.200112.3I797 Y804 Y897 L898 K904 R905I797-E901 HydrophobicContact CB-CB 4.5Å; I797-E901 HydrophobicContact CD1-CB 4.1Å; I797-E901 HydrophobicContact CG1-CB 4.03Å; I797-E901 HydrophobicContact CG2-CB 3.74Å; I797-E901 HydrophobicContact CG2-CG 4.09Å; Y804-E901 PolarHBondContact OH-OE1 3.2Å; Y897-E901 HydrophobicContact CD2-CG 4.36Å; Y897-E901 HydrophobicContact CE1-CG 4.36Å; Y897-E901 HydrophobicContact CE2-CG 3.87Å; Y897-E901 PolarHBondContact O-N 3.16Å; L898-E901 PolarHBondContact O-N 3.31Å; E901-K904 PolarHBondContact O-N 3.44Å; E901-R905 VanDerWaalsContact O-CB 3.29Å; E901-R905 WeakPolarHBondContact O-CB 3.49Å; E901-R905 VanDerWaalsContact O-CD 3.28Å; E901-R905 WeakPolarHBondContact O-CD 3.07Å; E901-R905 WeakPolarHBondContact O-CG 3.29Å; E901-R905 PolarHBondContact O-N 3.34Å; E901-R905 IonicContact OE2-CZ 3.96Å; E901-R905 IonicContact OE2-NE 2.87Å; E901-R905 PolarHBondContact OE2-NE 3.06Å; E901-R905 IonicContact OE2-NH2 3Å; E901-R905 PolarHBondContact OE2-NH2 3.33Å
902A93.3Very high93.8Very high0 Ų028.6 Ų28.60%013%0.127CC..Hα-helixtrans-68.7-40.6178.100000113.1I797 L898 R905 R906 L907 F908 F1011I797-A902 HydrophobicContact CD1-CB 4.18Å; L898-A902 WeakPolarHBondContact O-CB 3.43Å; L898-A902 PolarHBondContact O-N 2.86Å; A902-R905 CarbonylContact O-C 3.58Å; A902-R905 PolarHBondContact O-N 2.86Å; A902-R906 PolarHBondContact O-N 3.01Å; A902-L907 HydrophobicContact CB-CB 4.11Å; A902-L907 HydrophobicContact CB-CD2 4.16Å; A902-L907 PolarHBondContact O-N 2.99Å; A902-F908 HydrophobicContact CB-CD2 4.43Å; A902-F908 HydrophobicContact CB-CE2 4.08Å; A902-F1011 HydrophobicContact CB-CE2 3.66Å; A902-F1011 HydrophobicContact CB-CZ 4.44Å
903D91.1Very high93.6Very high85 Ų8528.9 Ų28.946%0.45513%0.128SC..Hα-helixtrans-65.1-45.4173.5-171.959.7000110.4W899 R905 R906 K1408W899-D903 WeakPolarHBondContact O-CB 3.35Å; W899-D903 PolarHBondContact O-N 3Å; D903-R905 VanDerWaalsContact C-N 3.27Å; D903-R905 PolarHBondContact O-N 2.8Å; D903-R906 PolarHBondContact O-N 3.47Å; D903-R906 VanDerWaalsContact O-N 3.1Å; D903-K1408 HydrophobicContact CB-CB 4.23Å; D903-K1408 HydrophobicContact CB-CD 4.4Å; D903-K1408 HydrophobicContact CB-CG 4.05Å; D903-K1408 VanDerWaalsContact OD2-CD 3.31Å; D903-K1408 WeakPolarHBondContact OD2-CD 3.29Å; D903-K1408 WeakPolarHBondContact OD2-CE 3.26Å; D903-K1408 IonicContact OD2-NZ 3.88Å; D903-K1408 PolarHBondContact OD2-NZ 3.48Å
904K90.7Very high93.3Very high127 Ų12729.5 Ų29.555%0.55213%0.132SC*.Hα-helixtrans-59-36.6176.9-176-179.7176.4-172.10112.9Y900 E901Y900-K904 VanDerWaalsContact O-CB 3.3Å; Y900-K904 WeakPolarHBondContact O-CB 3.45Å; Y900-K904 PolarHBondContact O-N 3.02Å; Y900-K904 VanDerWaalsContact O-N 3.09Å; E901-K904 PolarHBondContact O-N 3.44Å
905R92.3Very high93Very high65 Ų6530.8 Ų30.825%0.24514%0.142CC..THydrogen-bonded Turntrans-94.62.7-179.8-64.8161.1-177.4-96.5-5.8113.3F794 S795 P796 E901 A902 D903 L907F794-R905 HydrophobicContact CD2-CB 4.35Å; F794-R905 HydrophobicContact CE2-CB 3.65Å; F794-R905 HydrophobicContact CZ-CB 4.34Å; S795-R905 VanDerWaalsContact C-NH1 3.28Å; S795-R905 VanDerWaalsContact CB-NH1 3.31Å; S795-R905 WeakPolarHBondContact O-CD 3.34Å; S795-R905 PolarHBondContact O-NH1 3.1Å; S795-R905 PolarHBondContact OG-NH1 2.96Å; P796-R905 PolarHBondContact O-NH1 2.99Å; E901-R905 VanDerWaalsContact O-CB 3.29Å; E901-R905 WeakPolarHBondContact O-CB 3.49Å; E901-R905 VanDerWaalsContact O-CD 3.28Å; E901-R905 WeakPolarHBondContact O-CD 3.07Å; E901-R905 WeakPolarHBondContact O-CG 3.29Å; E901-R905 PolarHBondContact O-N 3.34Å; E901-R905 IonicContact OE2-CZ 3.96Å; E901-R905 IonicContact OE2-NE 2.87Å; E901-R905 PolarHBondContact OE2-NE 3.06Å; E901-R905 IonicContact OE2-NH2 3Å; E901-R905 PolarHBondContact OE2-NH2 3.33Å; A902-R905 CarbonylContact O-C 3.58Å; A902-R905 PolarHBondContact O-N 2.86Å; D903-R905 VanDerWaalsContact C-N 3.27Å; D903-R905 PolarHBondContact O-N 2.8Å; R905-L907 VanDerWaalsContact C-N 3.29Å; R905-L907 PolarHBondContact O-N 3.25Å
906R91.2Very high92.7Very high150 Ų15032.5 Ų32.557%0.56615%0.151SC*.THydrogen-bonded Turntrans53.243.2178.6-55.4177.9178.2172.7-4.4113.1A902 D903 F908A902-R906 PolarHBondContact O-N 3.01Å; D903-R906 PolarHBondContact O-N 3.47Å; D903-R906 VanDerWaalsContact O-N 3.1Å; R906-F908 VanDerWaalsContact C-N 3.32Å; R906-F908 PolarHBondContact O-N 3.42Å
907L92.6Very high92.2Very high6 Ų639.4 Ų39.43%0.03119%0.188CC..  trans-60.3-44.2178176.460.5000111.5L789 F794 A902 R905 P909 I972 F1011 Y1015L789-L907 HydrophobicContact CD2-CD1 4Å; F794-L907 HydrophobicContact CD2-CB 4.44Å; F794-L907 HydrophobicContact CD2-CD1 4.16Å; F794-L907 HydrophobicContact CE1-CD1 4.25Å; F794-L907 HydrophobicContact CE2-CB 3.65Å; F794-L907 HydrophobicContact CE2-CD1 3.77Å; F794-L907 HydrophobicContact CE2-CG 4.24Å; F794-L907 HydrophobicContact CZ-CB 4.14Å; F794-L907 HydrophobicContact CZ-CD1 3.82Å; F794-L907 HydrophobicContact CZ-CD2 4.5Å; F794-L907 HydrophobicContact CZ-CG 4.36Å; A902-L907 HydrophobicContact CB-CB 4.11Å; A902-L907 HydrophobicContact CB-CD2 4.16Å; A902-L907 PolarHBondContact O-N 2.99Å; R905-L907 VanDerWaalsContact C-N 3.29Å; R905-L907 PolarHBondContact O-N 3.25Å; L907-P909 WeakPolarHBondContact O-CD 3.46Å; L907-I972 HydrophobicContact CD1-CG2 3.88Å; L907-I972 HydrophobicContact CD2-CD1 4.15Å; L907-F1011 HydrophobicContact CD2-CE2 4.01Å; L907-F1011 HydrophobicContact CD2-CZ 3.8Å; L907-Y1015 HydrophobicContact CD2-CD2 4.45Å
908F93.2Very high91.8Very high40 Ų4040.1 Ų40.118%0.17519%0.191CC..SBendtrans-92119.5-176.1-62-62.3000110.5W899 A902 R906 I912 F1011 Q1014W899-F908 HydrophobicContact CE3-CD2 4.44Å; W899-F908 HydrophobicContact CE3-CE2 4.04Å; W899-F908 HydrophobicContact CH2-CD2 4.29Å; W899-F908 AromaticContact CH2-CE2 3.75Å; W899-F908 HydrophobicContact CH2-CE2 3.75Å; W899-F908 HydrophobicContact CH2-CZ 4.2Å; W899-F908 AromaticContact CZ3-CD2 3.71Å; W899-F908 HydrophobicContact CZ3-CD2 3.71Å; W899-F908 AromaticContact CZ3-CE2 3.43Å; W899-F908 HydrophobicContact CZ3-CE2 3.43Å; W899-F908 VanDerWaalsContact CZ3-CE2 3.43Å; W899-F908 HydrophobicContact CZ3-CZ 4.32Å; A902-F908 HydrophobicContact CB-CD2 4.43Å; A902-F908 HydrophobicContact CB-CE2 4.08Å; R906-F908 VanDerWaalsContact C-N 3.32Å; R906-F908 PolarHBondContact O-N 3.42Å; F908-I912 HydrophobicContact CB-CD1 4.08Å; F908-I912 HydrophobicContact CD1-CD1 3.68Å; F908-I912 HydrophobicContact CG-CD1 4.33Å; F908-F1011 AromaticContact CE2-CD2 3.93Å; F908-F1011 HydrophobicContact CE2-CD2 3.93Å; F908-F1011 AromaticContact CE2-CE2 3.79Å; F908-F1011 HydrophobicContact CE2-CE2 3.79Å; F908-F1011 AromaticContact CZ-CD2 3.85Å; F908-F1011 HydrophobicContact CZ-CD2 3.85Å; F908-F1011 AromaticContact CZ-CE2 3.75Å; F908-F1011 HydrophobicContact CZ-CE2 3.75Å; F908-Q1014 HydrophobicContact CD1-CB 4.45Å; F908-Q1014 HydrophobicContact CE1-CB 3.83Å; F908-Q1014 HydrophobicContact CZ-CB 4.06Å
909P91.2Very high91.6Very high7 Ų740.1 Ų40.15%0.04519%0.191CC..  trans-66.9160.417324.9-34.3000112.4W788 L907 W911 I912 L1018W788-P909 HydrophobicContact CZ2-CG 4.45Å; L907-P909 WeakPolarHBondContact O-CD 3.46Å; P909-W911 HydrophobicContact CB-CD2 3.75Å; P909-W911 HydrophobicContact CB-CE3 3.74Å; P909-W911 HydrophobicContact CB-CH2 3.61Å; P909-W911 HydrophobicContact CB-CZ2 3.65Å; P909-W911 HydrophobicContact CB-CZ3 3.66Å; P909-W911 HydrophobicContact CG-CD2 3.78Å; P909-W911 HydrophobicContact CG-CE3 4.22Å; P909-W911 HydrophobicContact CG-CG 4.46Å; P909-W911 HydrophobicContact CG-CH2 3.68Å; P909-W911 HydrophobicContact CG-CZ2 3.17Å; P909-W911 HydrophobicContact CG-CZ3 4.18Å; P909-W911 PolarHBondContact O-N 3.05Å; P909-W911 VanDerWaalsContact O-N 3.11Å; P909-I912 HydrophobicContact CG-CD1 3.98Å; P909-I912 HydrophobicContact CG-CG1 4.16Å; P909-I912 PolarHBondContact O-N 3.09Å; P909-I912 VanDerWaalsContact O-N 3.11Å; P909-L1018 HydrophobicContact CG-CD1 3.68Å
910P91.4Very high91.5Very high36 Ų3639.1 Ų39.123%0.23419%0.187CC..THydrogen-bonded Turntrans-66.2-16.6-170.327.5-38.1000114.9I912 K913 F1043P910-I912 VanDerWaalsContact C-N 3.26Å; P910-I912 PolarHBondContact O-N 2.87Å; P910-K913 WeakPolarHBondContact O-CE 3.42Å; P910-K913 PolarHBondContact O-NZ 3.2Å; P910-F1043 HydrophobicContact CB-CB 4.42Å
911W93.7Very high91.4Very high7 Ų737.7 Ų37.73%0.02718%0.182CC..THydrogen-bonded Turntrans-74.3-15.517662.574.4000113.7W788 P909 K913 L1018 D1021 L1025 A1030 M1033 C1034 Y1060 R1062W788-W911 AromaticContact CH2-CH2 3.69Å; W788-W911 HydrophobicContact CH2-CH2 3.69Å; W788-W911 HydrophobicContact CH2-CZ2 4.44Å; W788-W911 HydrophobicContact CZ2-CH2 4.02Å; W788-W911 HydrophobicContact CZ2-CZ2 4.42Å; P909-W911 HydrophobicContact CB-CD2 3.75Å; P909-W911 HydrophobicContact CB-CE3 3.74Å; P909-W911 HydrophobicContact CB-CH2 3.61Å; P909-W911 HydrophobicContact CB-CZ2 3.65Å; P909-W911 HydrophobicContact CB-CZ3 3.66Å; P909-W911 HydrophobicContact CG-CD2 3.78Å; P909-W911 HydrophobicContact CG-CE3 4.22Å; P909-W911 HydrophobicContact CG-CG 4.46Å; P909-W911 HydrophobicContact CG-CH2 3.68Å; P909-W911 HydrophobicContact CG-CZ2 3.17Å; P909-W911 HydrophobicContact CG-CZ3 4.18Å; P909-W911 PolarHBondContact O-N 3.05Å; P909-W911 VanDerWaalsContact O-N 3.11Å; W911-K913 PolarHBondContact O-N 3.31Å; W911-L1018 HydrophobicContact CZ2-CD1 4.16Å; W911-D1021 PolarHBondContact NE1-OD2 3.2Å; W911-L1025 HydrophobicContact CZ2-CD1 4.3Å; W911-A1030 HydrophobicContact CH2-CB 3.83Å; W911-A1030 WeakPolarHBondContact CH2-O 3.19Å; W911-A1030 HydrophobicContact CZ2-CB 4.33Å; W911-A1030 WeakPolarHBondContact CZ3-O 3.41Å; W911-M1033 HydrophobicContact CE3-CB 4.1Å; W911-M1033 HydrophobicContact CZ3-CB 3.87Å; W911-C1034 HydrophobicContact CH2-CB 4.22Å; W911-C1034 HydrophobicContact CZ3-CB 3.79Å; W911-Y1060 HydrophobicContact CB-CD1 3.95Å; W911-Y1060 WeakPolarHBondContact CB-O 3.42Å; W911-Y1060 AromaticContact CD1-CD1 3.67Å; W911-Y1060 AromaticContact CD1-CE1 3.69Å; W911-Y1060 HydrophobicContact CD2-CD1 4.41Å; W911-Y1060 AromaticContact CG-CD1 3.77Å; W911-Y1060 HydrophobicContact CG-CD1 3.77Å; W911-Y1060 HydrophobicContact CG-CE1 4.26Å; W911-R1062 PolarHBondContact O-N 2.97Å
912I93.8Very high91.4Very high14 Ų1438.7 Ų38.77%0.07219%0.187CC..EExtended strand (participates in β ladder)trans-78.8115.6176.8-58.8-176.6000109.1F908 P909 P910 Q1014 L1018 R1062F908-I912 HydrophobicContact CB-CD1 4.08Å; F908-I912 HydrophobicContact CD1-CD1 3.68Å; F908-I912 HydrophobicContact CG-CD1 4.33Å; P909-I912 HydrophobicContact CG-CD1 3.98Å; P909-I912 HydrophobicContact CG-CG1 4.16Å; P909-I912 PolarHBondContact O-N 3.09Å; P909-I912 VanDerWaalsContact O-N 3.11Å; P910-I912 VanDerWaalsContact C-N 3.26Å; P910-I912 PolarHBondContact O-N 2.87Å; I912-Q1014 HydrophobicContact CG2-CB 4.47Å; I912-Q1014 VanDerWaalsContact CG2-OE1 3.24Å; I912-L1018 HydrophobicContact CD1-CB 3.84Å; I912-L1018 HydrophobicContact CD1-CD1 4.09Å; I912-L1018 HydrophobicContact CD1-CG 4.37Å; I912-R1062 VanDerWaalsContact CD1-NH2 3.32Å
913K91.7Very high91.4Very high8 Ų838.8 Ų38.84%0.03519%0.188CC..EExtended strand (participates in β ladder)trans-122.8156.7177.9-55-65.3-178.5176.10109.1P910 W911 A915 E918 L923 R1062 Y1063 V1064P910-K913 WeakPolarHBondContact O-CE 3.42Å; P910-K913 PolarHBondContact O-NZ 3.2Å; W911-K913 PolarHBondContact O-N 3.31Å; K913-A915 HydrophobicContact CD-CB 3.84Å; K913-E918 IonicContact NZ-OE1 3.34Å; K913-E918 IonicContact NZ-OE2 3.38Å; K913-E918 PolarHBondContact NZ-OE2 3.16Å; K913-L923 HydrophobicContact CB-CD2 3.86Å; K913-L923 HydrophobicContact CD-CD1 3.87Å; K913-L923 HydrophobicContact CD-CD2 4.41Å; K913-L923 HydrophobicContact CG-CD1 3.8Å; K913-L923 HydrophobicContact CG-CD2 3.85Å; K913-R1062 CarbonylContact C-O 3.59Å; K913-R1062 WeakPolarHBondContact CA-O 3.26Å; K913-R1062 WeakPolarHBondContact CB-O 3.38Å; K913-R1062 PolarHBondContact N-O 3.5Å; K913-Y1063 HydrophobicContact CB-CD2 3.96Å; K913-Y1063 VanDerWaalsContact O-CA 3.29Å; K913-Y1063 WeakPolarHBondContact O-CA 3.28Å; K913-V1064 PolarHBondContact O-N 3.46Å
914P89.9Confident91.6Very high14 Ų1434.8 Ų34.89%0.09117%0.166CC..SBendcis-70.2127.5-1.228-34.8000113.4Y1063 V1064 R1411 V1412 E1415P914-Y1063 HydrophobicContact CB-CD2 4.45Å; P914-Y1063 HydrophobicContact CB-CE2 3.69Å; P914-Y1063 HydrophobicContact CG-CE2 4.23Å; P914-V1064 HydrophobicContact CG-CG2 4.47Å; P914-R1411 HydrophobicContact CB-CG 3.98Å; P914-V1412 HydrophobicContact CG-CB 3.98Å; P914-V1412 HydrophobicContact CG-CG2 4.39Å; P914-E1415 WeakPolarHBondContact CG-OE2 3.43Å
915A88.4Confident91.7Very high26 Ų2629.6 Ų29.622%0.21514%0.143CC..  trans-90.3158.6170.200000110.7K913 L917 R1411K913-A915 HydrophobicContact CD-CB 3.84Å; A915-L917 VanDerWaalsContact C-N 3.34Å; A915-L917 PolarHBondContact O-N 3.08Å; A915-R1411 PolarHBondContact O-NH1 2.86Å
916D88.9Confident91.8Very high37 Ų3730.6 Ų30.620%0.19815%0.15CC..THydrogen-bonded Turntrans-75.3-18.4-177.4-74.2-13000114.2K1408 G1409 W1410 R1411D916-K1408 WeakPolarHBondContact OD2-CA 3.39Å; D916-G1409 WeakPolarHBondContact OD2-CA 3.34Å; D916-G1409 PolarHBondContact OD2-N 3.39Å; D916-W1410 PolarHBondContact OD1-N 2.81Å; D916-W1410 VanDerWaalsContact OD1-N 3.1Å; D916-W1410 PolarHBondContact OD2-N 2.92Å; D916-R1411 VanDerWaalsContact CA-NH1 3.29Å; D916-R1411 PolarHBondContact O-NH1 3.29Å; D916-R1411 PolarHBondContact OD1-N 3.23Å; D916-R1411 VanDerWaalsContact OD1-N 3.09Å
917L85.2Confident91.9Very high147 Ų14723.5 Ų23.577%0.7712%0.123SC*.THydrogen-bonded Turntrans-80.1-23.1-178.6-62.1174.6000113.8A915A915-L917 VanDerWaalsContact C-N 3.34Å; A915-L917 PolarHBondContact O-N 3.08Å
918E88.1Confident92Very high16 Ų1623.2 Ų23.28%0.07512%0.121CC..  trans-129117.7-165.8-66.7167.1178.700111.5K913 L922 K926 R1411K913-E918 IonicContact NZ-OE1 3.34Å; K913-E918 IonicContact NZ-OE2 3.38Å; K913-E918 PolarHBondContact NZ-OE2 3.16Å; E918-L922 HydrophobicContact CB-CD2 4.37Å; E918-L922 HydrophobicContact CG-CD2 4.11Å; E918-L922 HydrophobicContact CG-CG 4.46Å; E918-K926 VanDerWaalsContact OE1-CD 3.26Å; E918-K926 WeakPolarHBondContact OE1-CD 3.34Å; E918-K926 WeakPolarHBondContact OE1-CE 3.02Å; E918-K926 IonicContact OE1-NZ 2.77Å; E918-K926 PolarHBondContact OE1-NZ 3.32Å; E918-R1411 PolarHBondContact O-NH1 3.22Å
919P91.4Very high92Very high0 Ų022.5 Ų22.50%012%0.118CC..  trans-59.2149.4163.3-2334.2000110.7P921 L922 L923 I1390 W1429P919-P921 VanDerWaalsContact C-CD 3.47Å; P919-P921 VanDerWaalsContact C-N 3.34Å; P919-L922 WeakPolarHBondContact O-CB 3.45Å; P919-L922 PolarHBondContact O-N 3.31Å; P919-L923 PolarHBondContact O-N 2.81Å; P919-L923 VanDerWaalsContact O-N 3.1Å; P919-I1390 HydrophobicContact CG-CG2 3.93Å; P919-W1429 HydrophobicContact CB-CE3 4.26Å; P919-W1429 HydrophobicContact CB-CZ3 4.36Å
920P93.2Very high92.1Very high2 Ų222.7 Ų22.71%0.01312%0.122CC..Hα-helixtrans-53.7-37.6-178.6-25.533.5000115.6L922 L923 V924 C1162 Y1247 W1429P920-L922 VanDerWaalsContact C-N 3.33Å; P920-L922 PolarHBondContact O-N 3.3Å; P920-L923 WeakPolarHBondContact O-CB 3.22Å; P920-L923 PolarHBondContact O-N 2.8Å; P920-V924 WeakPolarHBondContact O-CG2 3.38Å; P920-V924 PolarHBondContact O-N 2.79Å; P920-V924 VanDerWaalsContact O-N 3.11Å; P920-C1162 HydrophobicContact CB-CB 3.92Å; P920-Y1247 HydrophobicContact CB-CE2 4.05Å; P920-Y1247 WeakPolarHBondContact CB-OH 3.48Å; P920-Y1247 HydrophobicContact CG-CE2 4.23Å; P920-W1429 HydrophobicContact CG-CB 3.92Å
921P93.5Very high92.2Very high0 Ų021 Ų210%011%0.11CC..Hα-helixtrans-63.8-35.6174.8-25.337.4000113.6P919 L923 V924 Y925 F1164 Y1247 W1349 F1353P919-P921 VanDerWaalsContact C-CD 3.47Å; P919-P921 VanDerWaalsContact C-N 3.34Å; P921-L923 VanDerWaalsContact C-N 3.32Å; P921-V924 PolarHBondContact O-N 3.2Å; P921-Y925 PolarHBondContact O-N 3.22Å; P921-F1164 HydrophobicContact CB-CE2 4.18Å; P921-F1164 HydrophobicContact CB-CZ 4.04Å; P921-F1164 HydrophobicContact CG-CE2 3.98Å; P921-F1164 HydrophobicContact CG-CZ 3.97Å; P921-Y1247 HydrophobicContact CG-CD2 4.14Å; P921-Y1247 HydrophobicContact CG-CE2 4.03Å; P921-W1349 HydrophobicContact CB-CD2 3.88Å; P921-W1349 HydrophobicContact CB-CG 4.11Å; P921-W1349 HydrophobicContact CB-CZ2 3.98Å; P921-W1349 HydrophobicContact CG-CD2 4.44Å; P921-W1349 HydrophobicContact CG-CH2 4.36Å; P921-W1349 HydrophobicContact CG-CZ2 3.61Å; P921-F1353 HydrophobicContact CB-CZ 4.31Å
922L93.6Very high92.2Very high25 Ų2520.7 Ų20.713%0.13111%0.11CC..Hα-helixtrans-68.2-35.4174.8179.959.8000111E918 P919 P920 V924 Y925 K926 F1353E918-L922 HydrophobicContact CB-CD2 4.37Å; E918-L922 HydrophobicContact CG-CD2 4.11Å; E918-L922 HydrophobicContact CG-CG 4.46Å; P919-L922 WeakPolarHBondContact O-CB 3.45Å; P919-L922 PolarHBondContact O-N 3.31Å; P920-L922 VanDerWaalsContact C-N 3.33Å; P920-L922 PolarHBondContact O-N 3.3Å; L922-V924 VanDerWaalsContact C-N 3.35Å; L922-Y925 PolarHBondContact O-N 2.74Å; L922-K926 HydrophobicContact CD1-CG 4.36Å; L922-K926 WeakPolarHBondContact O-CB 3.24Å; L922-K926 WeakPolarHBondContact O-CG 3.5Å; L922-K926 PolarHBondContact O-N 3.22Å; L922-F1353 HydrophobicContact CB-CE1 3.79Å; L922-F1353 HydrophobicContact CB-CZ 3.9Å; L922-F1353 HydrophobicContact CD1-CD1 3.77Å; L922-F1353 HydrophobicContact CD1-CD2 4.44Å; L922-F1353 HydrophobicContact CD1-CE1 3.78Å; L922-F1353 HydrophobicContact CD1-CE2 4.43Å; L922-F1353 HydrophobicContact CD1-CG 4.13Å; L922-F1353 HydrophobicContact CD1-CZ 4.13Å; L922-F1353 HydrophobicContact CG-CE1 4.32Å
923L94Very high92.2Very high3 Ų322.7 Ų22.72%0.01612%0.121CC..Hα-helixtrans-60.3-44.2172.9176.565.2000111.5K913 P919 P920 P921 K926 W927 F1043 Y1063 M1161K913-L923 HydrophobicContact CB-CD2 3.86Å; K913-L923 HydrophobicContact CD-CD1 3.87Å; K913-L923 HydrophobicContact CD-CD2 4.41Å; K913-L923 HydrophobicContact CG-CD1 3.8Å; K913-L923 HydrophobicContact CG-CD2 3.85Å; P919-L923 PolarHBondContact O-N 2.81Å; P919-L923 VanDerWaalsContact O-N 3.1Å; P920-L923 WeakPolarHBondContact O-CB 3.22Å; P920-L923 PolarHBondContact O-N 2.8Å; P921-L923 VanDerWaalsContact C-N 3.32Å; L923-K926 PolarHBondContact O-N 3.37Å; L923-W927 WeakPolarHBondContact O-CB 3.49Å; L923-W927 PolarHBondContact O-N 3.21Å; L923-F1043 HydrophobicContact CD1-CD1 4.25Å; L923-F1043 HydrophobicContact CD1-CE1 3.48Å; L923-F1043 VanDerWaalsContact CD1-CE1 3.48Å; L923-F1043 HydrophobicContact CD1-CZ 3.65Å; L923-Y1063 HydrophobicContact CD2-CD2 3.94Å; L923-Y1063 HydrophobicContact CD2-CE2 4.34Å; L923-M1161 HydrophobicContact CD1-CE 4.25Å; L923-M1161 HydrophobicContact CD2-CE 3.75Å; L923-M1161 HydrophobicContact CG-CE 3.68Å; L923-M1161 HydrophobicContact CG-SD 4.47Å
924V94.7Very high92.2Very high0 Ų023 Ų230%012%0.123CC..Hα-helixtrans-63.4-43.6176.2-1770000110.8P920 P921 L922 W927 C928 M1161 C1162 F1164 W1188P920-V924 WeakPolarHBondContact O-CG2 3.38Å; P920-V924 PolarHBondContact O-N 2.79Å; P920-V924 VanDerWaalsContact O-N 3.11Å; P921-V924 PolarHBondContact O-N 3.2Å; L922-V924 VanDerWaalsContact C-N 3.35Å; V924-W927 PolarHBondContact O-N 3.5Å; V924-C928 PolarHBondContact O-N 3.43Å; V924-C928 PolarHBondContact O-SG 3.29Å; V924-M1161 HydrophobicContact CG2-CB 4.02Å; V924-M1161 HydrophobicContact CG2-CG 4.03Å; V924-M1161 HydrophobicContact CG2-SD 4.09Å; V924-C1162 HydrophobicContact CG2-CB 4.03Å; V924-F1164 HydrophobicContact CG1-CB 4.45Å; V924-F1164 HydrophobicContact CG2-CD2 4.02Å; V924-W1188 HydrophobicContact CB-CH2 4.3Å; V924-W1188 HydrophobicContact CB-CZ3 4.42Å; V924-W1188 HydrophobicContact CG1-CH2 4.17Å; V924-W1188 HydrophobicContact CG1-CZ3 3.97Å
925Y93.8Very high92.2Very high19 Ų1927.4 Ų27.48%0.07514%0.14CC..Hα-helixtrans-61.6-47.3177.5-176.1-97.8000112.3P921 L922 W927 C928 Q929 W1188 F1353P921-Y925 PolarHBondContact O-N 3.22Å; L922-Y925 PolarHBondContact O-N 2.74Å; Y925-W927 VanDerWaalsContact C-N 3.31Å; Y925-W927 PolarHBondContact O-N 3.5Å; Y925-C928 PolarHBondContact O-N 3.42Å; Y925-Q929 VanDerWaalsContact O-CB 3.3Å; Y925-Q929 WeakPolarHBondContact O-CB 3.3Å; Y925-Q929 PolarHBondContact O-N 2.96Å; Y925-W1188 VanDerWaalsContact CA-CZ3 3.48Å; Y925-W1188 AromaticContact CD2-CD2 3.68Å; Y925-W1188 HydrophobicContact CD2-CD2 3.68Å; Y925-W1188 AromaticContact CD2-CE3 3.64Å; Y925-W1188 HydrophobicContact CD2-CE3 3.64Å; Y925-W1188 HydrophobicContact CD2-CG 4.23Å; Y925-W1188 HydrophobicContact CD2-CH2 4.3Å; Y925-W1188 HydrophobicContact CD2-CZ2 4.33Å; Y925-W1188 AromaticContact CD2-CZ3 3.96Å; Y925-W1188 HydrophobicContact CD2-CZ3 3.96Å; Y925-W1188 HydrophobicContact CE2-CD2 4.26Å; Y925-W1188 HydrophobicContact CE2-CE3 4.47Å; Y925-W1188 HydrophobicContact CE2-CG 4.34Å; Y925-W1188 HydrophobicContact CG-CE3 4.49Å; Y925-W1188 HydrophobicContact CG-CZ3 4.41Å; Y925-F1353 VanDerWaalsContact CB-CE2 3.49Å; Y925-F1353 AromaticContact CD1-CD2 3.83Å; Y925-F1353 HydrophobicContact CD1-CD2 3.83Å; Y925-F1353 HydrophobicContact CD1-CE2 4.37Å; Y925-F1353 HydrophobicContact CD1-CG 4.48Å; Y925-F1353 AromaticContact CD2-CD2 3.77Å; Y925-F1353 HydrophobicContact CD2-CD2 3.77Å; Y925-F1353 HydrophobicContact CD2-CE2 4.1Å; Y925-F1353 HydrophobicContact CE1-CD2 4.34Å; Y925-F1353 HydrophobicContact CE2-CD2 4.29Å; Y925-F1353 AromaticContact CG-CD2 3.53Å; Y925-F1353 HydrophobicContact CG-CD2 3.53Å; Y925-F1353 AromaticContact CG-CE2 3.75Å; Y925-F1353 HydrophobicContact CG-CE2 3.75Å
926K93.5Very high92.3Very high86 Ų8630.2 Ų30.237%0.37415%0.151SC..Hα-helixtrans-61.4-38175.3-75.9-168.3175.8-1670112.3E918 L922 L923 G930 F1043 L1044E918-K926 VanDerWaalsContact OE1-CD 3.26Å; E918-K926 WeakPolarHBondContact OE1-CD 3.34Å; E918-K926 WeakPolarHBondContact OE1-CE 3.02Å; E918-K926 IonicContact OE1-NZ 2.77Å; E918-K926 PolarHBondContact OE1-NZ 3.32Å; L922-K926 HydrophobicContact CD1-CG 4.36Å; L922-K926 WeakPolarHBondContact O-CB 3.24Å; L922-K926 WeakPolarHBondContact O-CG 3.5Å; L922-K926 PolarHBondContact O-N 3.22Å; L923-K926 PolarHBondContact O-N 3.37Å; K926-G930 WeakPolarHBondContact O-CA 3.31Å; K926-G930 PolarHBondContact O-N 3.31Å; K926-F1043 HydrophobicContact CB-CD1 4.29Å; K926-F1043 HydrophobicContact CB-CE1 4.21Å; K926-F1043 HydrophobicContact CD-CD1 4.43Å; K926-L1044 VanDerWaalsContact O-CD1 3.3Å; K926-L1044 WeakPolarHBondContact O-CD1 3.46Å
927W94.8Very high92.4Very high0 Ų028.7 Ų28.70%014%0.144CC..Hα-helixtrans-63-47.5174.8-175.5-97.3000112.2L923 V924 Y925 G930 I931 F1043 L1044 L1059 C1061 W1068 F1070 F1159 M1161L923-W927 WeakPolarHBondContact O-CB 3.49Å; L923-W927 PolarHBondContact O-N 3.21Å; V924-W927 PolarHBondContact O-N 3.5Å; Y925-W927 VanDerWaalsContact C-N 3.31Å; Y925-W927 PolarHBondContact O-N 3.5Å; W927-G930 PolarHBondContact O-N 3.26Å; W927-I931 WeakPolarHBondContact O-CG1 3.29Å; W927-I931 PolarHBondContact O-N 3.5Å; W927-F1043 AromaticContact CE3-CZ 3.88Å; W927-F1043 HydrophobicContact CE3-CZ 3.88Å; W927-F1043 HydrophobicContact CZ3-CZ 4.42Å; W927-L1044 HydrophobicContact CE3-CD1 4.13Å; W927-L1044 HydrophobicContact CE3-CD2 3.86Å; W927-L1044 HydrophobicContact CZ3-CD2 3.82Å; W927-L1059 HydrophobicContact CH2-CB 3.66Å; W927-L1059 HydrophobicContact CZ2-CB 4.42Å; W927-L1059 HydrophobicContact CZ3-CB 3.78Å; W927-C1061 HydrophobicContact CE3-CB 3.88Å; W927-C1061 HydrophobicContact CH2-CB 4.14Å; W927-C1061 HydrophobicContact CZ3-CB 3.47Å; W927-C1061 VanDerWaalsContact CZ3-CB 3.47Å; W927-W1068 HydrophobicContact CH2-CB 3.98Å; W927-W1068 HydrophobicContact CZ2-CB 3.68Å; W927-F1070 HydrophobicContact CZ2-CB 4.41Å; W927-F1159 AromaticContact CD1-CE2 3.59Å; W927-F1159 AromaticContact CD1-CZ 3.66Å; W927-M1161 HydrophobicContact CB-SD 3.95Å; W927-M1161 HydrophobicContact CG-SD 3.99Å
928C94.5Very high92.7Very high0 Ų022.6 Ų22.60%011%0.111CC..Hα-helixtrans-59.6-47.8175.4-64.70000112.1V924 Y925 G930 I931 N932 I1168 L1190V924-C928 PolarHBondContact O-N 3.43Å; V924-C928 PolarHBondContact O-SG 3.29Å; Y925-C928 PolarHBondContact O-N 3.42Å; C928-G930 VanDerWaalsContact C-N 3.34Å; C928-I931 PolarHBondContact O-N 3.18Å; C928-N932 PolarHBondContact O-N 3.14Å; C928-N932 VanDerWaalsContact O-N 3.15Å; C928-I1168 HydrophobicContact CB-CD1 4.33Å; C928-L1190 HydrophobicContact CB-CD1 4.05Å; C928-L1190 HydrophobicContact CB-CD2 3.8Å
929Q92.9Very high92.8Very high25 Ų2527 Ų2712%0.11713%0.131CC..Hα-helixtrans-64.9-40179.5-174.267.62.900111.4Y925 N932 N933 Q1191Y925-Q929 VanDerWaalsContact O-CB 3.3Å; Y925-Q929 WeakPolarHBondContact O-CB 3.3Å; Y925-Q929 PolarHBondContact O-N 2.96Å; Q929-N932 PolarHBondContact O-N 2.9Å; Q929-N933 WeakPolarHBondContact O-CB 3.38Å; Q929-N933 PolarHBondContact O-N 3.4Å; Q929-N933 PolarHBondContact O-ND2 3.48Å; Q929-Q1191 PolarHBondContact NE2-O 3.27Å
930G92.5Very high92.7Very high11 Ų1128.1 Ų28.111%0.11314%0.138CC..Hα-helixtrans-63.8-43.4176.800000112.4K926 W927 C928 N932 N933 L934K926-G930 WeakPolarHBondContact O-CA 3.31Å; K926-G930 PolarHBondContact O-N 3.31Å; W927-G930 PolarHBondContact O-N 3.26Å; C928-G930 VanDerWaalsContact C-N 3.34Å; G930-N932 VanDerWaalsContact C-N 3.3Å; G930-N932 PolarHBondContact O-N 2.98Å; G930-N933 PolarHBondContact O-N 2.99Å; G930-L934 PolarHBondContact O-N 2.66Å
931I94.4Very high92.4Very high0 Ų031.7 Ų31.70%018%0.175CC..Hα-helixtrans-58.1-46.1172.6-68.9167.6000110.3W927 C928 N933 L934 V937 W938 L948 L1059 F1070 L1157 I1168W927-I931 WeakPolarHBondContact O-CG1 3.29Å; W927-I931 PolarHBondContact O-N 3.5Å; C928-I931 PolarHBondContact O-N 3.18Å; I931-N933 VanDerWaalsContact C-N 3.26Å; I931-N933 PolarHBondContact O-N 3.29Å; I931-L934 PolarHBondContact O-N 2.86Å; I931-V937 HydrophobicContact CG2-CG2 4.34Å; I931-V937 WeakPolarHBondContact O-CG1 3.41Å; I931-W938 HydrophobicContact CG2-CH2 3.63Å; I931-W938 HydrophobicContact CG2-CZ2 3.86Å; I931-L948 HydrophobicContact CD1-CD1 4.31Å; I931-L1059 HydrophobicContact CB-CD1 4.46Å; I931-L1059 HydrophobicContact CG1-CD1 3.64Å; I931-F1070 HydrophobicContact CD1-CD2 4.39Å; I931-F1070 HydrophobicContact CG1-CD2 4.4Å; I931-F1070 HydrophobicContact CG1-CG 4.48Å; I931-F1070 HydrophobicContact CG2-CE2 4.09Å; I931-F1070 HydrophobicContact CG2-CZ 4.01Å; I931-L1157 HydrophobicContact CD1-CD2 4.2Å; I931-L1157 HydrophobicContact CG2-CD2 4.11Å; I931-I1168 HydrophobicContact CD1-CD1 4.19Å; I931-I1168 HydrophobicContact CG2-CD1 4.47Å
932N94.4Very high92.2Very high2 Ų239.7 Ų39.71%0.01121%0.212CC..Hα-helixtrans-66.4-26.6-177.7-173.956.3000113.9C928 Q929 G930 W938 L1190 T1199 A1200C928-N932 PolarHBondContact O-N 3.14Å; C928-N932 VanDerWaalsContact O-N 3.15Å; Q929-N932 PolarHBondContact O-N 2.9Å; G930-N932 VanDerWaalsContact C-N 3.3Å; G930-N932 PolarHBondContact O-N 2.98Å; N932-W938 PolarHBondContact OD1-NE1 3.07Å; N932-L1190 HydrophobicContact CB-CB 4.14Å; N932-L1190 HydrophobicContact CB-CD1 4.15Å; N932-T1199 PolarHBondContact ND2-OG1 2.69Å; N932-T1199 PolarHBondContact OD1-OG1 3.46Å; N932-A1200 WeakPolarHBondContact OD1-CB 3.15Å
933N93.6Very high91.9Very high56 Ų5639.8 Ų39.830%0.29922%0.219SC..Hα-helixtrans-88.6-6-177.2-74-15000113.8Q929 G930 I931 Q1191 E1193Q929-N933 WeakPolarHBondContact O-CB 3.38Å; Q929-N933 PolarHBondContact O-N 3.4Å; Q929-N933 PolarHBondContact O-ND2 3.48Å; G930-N933 PolarHBondContact O-N 2.99Å; I931-N933 VanDerWaalsContact C-N 3.26Å; I931-N933 PolarHBondContact O-N 3.29Å; N933-Q1191 PolarHBondContact OD1-O 2.78Å; N933-E1193 PolarHBondContact OD1-N 3.3Å
934L91.9Very high91.8Very high15 Ų1541 Ų418%0.07923%0.225CC..SBendtrans-65.6149.7173.9-68.1173.6000111G930 I931 D936 V937 E1052 R1058 L1059 F1070G930-L934 PolarHBondContact O-N 2.66Å; I931-L934 PolarHBondContact O-N 2.86Å; L934-D936 PolarHBondContact O-N 3.17Å; L934-V937 HydrophobicContact CB-CB 3.93Å; L934-V937 HydrophobicContact CB-CG1 4.48Å; L934-V937 HydrophobicContact CB-CG2 4.26Å; L934-V937 HydrophobicContact CD1-CG2 4.4Å; L934-E1052 WeakPolarHBondContact CA-OE1 3.28Å; L934-E1052 WeakPolarHBondContact CB-OE1 3.28Å; L934-E1052 VanDerWaalsContact CD2-CD 3.46Å; L934-E1052 HydrophobicContact CD2-CG 3.86Å; L934-E1052 WeakPolarHBondContact CD2-OE1 3.33Å; L934-R1058 HydrophobicContact CD1-CB 3.85Å; L934-R1058 HydrophobicContact CD1-CG 4.34Å; L934-R1058 HydrophobicContact CD2-CB 4.28Å; L934-L1059 HydrophobicContact CD1-CD1 4.07Å; L934-L1059 HydrophobicContact CD1-CD2 4.44Å; L934-L1059 HydrophobicContact CD1-CG 4.07Å; L934-L1059 HydrophobicContact CD2-CD2 3.99Å; L934-L1059 HydrophobicContact CD2-CG 4.5Å; L934-F1070 HydrophobicContact CD1-CD1 3.61Å; L934-F1070 HydrophobicContact CD1-CE1 3.45Å; L934-F1070 VanDerWaalsContact CD1-CE1 3.45Å
935K89.6Confident91.8Very high105 Ų10541.2 Ų41.246%0.45723%0.226SC..THydrogen-bonded Turntrans-69.4127-177.1-176.557.5175.41360110.9V937 E1052 I1053K935-V937 PolarHBondContact O-N 2.81Å; K935-E1052 PolarHBondContact N-OE1 3.3Å; K935-I1053 HydrophobicContact CG-CD1 4.38Å
936D89.5Confident91.9Very high85 Ų8540.3 Ų40.346%0.45522%0.223SC..THydrogen-bonded Turntrans52.529.6175-53.3-31000114.1L934 W938 E939 R1072L934-D936 PolarHBondContact O-N 3.17Å; D936-W938 VanDerWaalsContact C-N 3.32Å; D936-W938 PolarHBondContact O-N 2.81Å; D936-E939 HydrophobicContact CB-CG 4.38Å; D936-E939 PolarHBondContact O-N 3.07Å; D936-R1072 PolarHBondContact O-NH2 3.27Å; D936-R1072 VanDerWaalsContact O-NH2 3.15Å
937V91.8Very high92Very high6 Ų636.2 Ų36.24%0.03621%0.205CC..THydrogen-bonded Turntrans-63.3-32.7-172.564.80000113.9I931 L934 K935 N946 F1070 R1072I931-V937 HydrophobicContact CG2-CG2 4.34Å; I931-V937 WeakPolarHBondContact O-CG1 3.41Å; L934-V937 HydrophobicContact CB-CB 3.93Å; L934-V937 HydrophobicContact CB-CG1 4.48Å; L934-V937 HydrophobicContact CB-CG2 4.26Å; L934-V937 HydrophobicContact CD1-CG2 4.4Å; K935-V937 PolarHBondContact O-N 2.81Å; V937-N946 PolarHBondContact O-ND2 2.84Å; V937-N946 PolarHBondContact O-OD1 3.02Å; V937-F1070 HydrophobicContact CG2-CE1 3.9Å; V937-F1070 HydrophobicContact CG2-CZ 3.69Å; V937-R1072 PolarHBondContact O-NH1 3.13Å
938W92.3Very high92Very high19 Ų1936.2 Ų36.27%0.07221%0.205CC..THydrogen-bonded Turntrans-94.5-10.3-176-56.2126.7000113.8I931 N932 D936 Y1150 L1157 I1168 P1170 A1200I931-W938 HydrophobicContact CG2-CH2 3.63Å; I931-W938 HydrophobicContact CG2-CZ2 3.86Å; N932-W938 PolarHBondContact OD1-NE1 3.07Å; D936-W938 VanDerWaalsContact C-N 3.32Å; D936-W938 PolarHBondContact O-N 2.81Å; W938-Y1150 HydrophobicContact CE3-CD1 4.38Å; W938-Y1150 HydrophobicContact CE3-CE1 4.02Å; W938-Y1150 HydrophobicContact CE3-CE2 4.34Å; W938-Y1150 PolarHBondContact O-OH 3.22Å; W938-L1157 HydrophobicContact CH2-CD2 4.21Å; W938-L1157 HydrophobicContact CZ3-CB 4.48Å; W938-L1157 HydrophobicContact CZ3-CD2 4.38Å; W938-I1168 HydrophobicContact CH2-CB 4.16Å; W938-I1168 HydrophobicContact CH2-CG2 3.48Å; W938-I1168 VanDerWaalsContact CH2-CG2 3.48Å; W938-I1168 HydrophobicContact CZ2-CG2 3.58Å; W938-I1168 HydrophobicContact CZ3-CG2 4.43Å; W938-P1170 HydrophobicContact CB-CB 3.92Å; W938-P1170 HydrophobicContact CB-CG 4.02Å; W938-P1170 HydrophobicContact CD2-CB 3.91Å; W938-P1170 HydrophobicContact CD2-CG 3.3Å; W938-P1170 HydrophobicContact CE3-CB 4.32Å; W938-P1170 HydrophobicContact CE3-CG 3.25Å; W938-P1170 HydrophobicContact CG-CB 3.71Å; W938-P1170 HydrophobicContact CG-CG 3.64Å; W938-P1170 HydrophobicContact CH2-CG 4.44Å; W938-P1170 HydrophobicContact CZ2-CG 4.48Å; W938-P1170 HydrophobicContact CZ3-CG 3.86Å; W938-A1200 HydrophobicContact CZ2-CB 4.38Å
939E89.2Confident92Very high109 Ų10936.2 Ų36.251%0.50921%0.205SC..  trans-69.1138.1177-63.1-54.5141.300110D936 R1072D936-E939 HydrophobicContact CB-CG 4.38Å; D936-E939 PolarHBondContact O-N 3.07Å; E939-R1072 PolarHBondContact O-NH1 3.38Å; E939-R1072 PolarHBondContact O-NH2 2.86Å
940T89.8Confident92Very high23 Ų2336.1 Ų36.114%0.14121%0.205CC..  trans-139.618.9-18048.80000111.4E942 G943 E944 Y1150 R1173T940-E942 VanDerWaalsContact C-N 3.31Å; T940-E942 PolarHBondContact O-N 3.25Å; T940-G943 PolarHBondContact O-N 2.97Å; T940-E944 VanDerWaalsContact CA-OE2 3.3Å; T940-E944 WeakPolarHBondContact CA-OE2 3.46Å; T940-Y1150 HydrophobicContact CG2-CD1 4.08Å; T940-Y1150 HydrophobicContact CG2-CE1 3.48Å; T940-Y1150 VanDerWaalsContact CG2-CE1 3.48Å; T940-R1173 PolarHBondContact OG1-NH1 3.19Å
941G86.9Confident92Very high77 Ų7735.7 Ų35.779%0.79420%0.2SC*.THydrogen-bonded Turntrans-67.2-30.4-175.700000113.1E944G941-E944 PolarHBondContact N-OE2 3.49Å
942E88.5Confident91.9Very high167 Ų16738.2 Ų38.278%0.7821%0.211SC*.THydrogen-bonded Turntrans-98.59-178.6-56.6-172.5165.900112.6T940 E944T940-E942 VanDerWaalsContact C-N 3.31Å; T940-E942 PolarHBondContact O-N 3.25Å; E942-E944 WeakPolarHBondContact CA-OE2 3.46Å; E942-E944 HydrophobicContact CB-CG 4.45Å; E942-E944 PolarHBondContact N-OE2 2.8Å
943G87.6Confident91.8Very high27 Ų2738.2 Ų38.228%0.27821%0.211SC..  trans83.122.2-178.900000113.8T940T940-G943 PolarHBondContact O-N 2.97Å
944E92.2Very high91.7Very high29 Ų2937.2 Ų37.214%0.13620%0.204CC..  trans-68.7150.3175.6-48.499.4122.200111.9T940 G941 E942 R1072 F1073T940-E944 VanDerWaalsContact CA-OE2 3.3Å; T940-E944 WeakPolarHBondContact CA-OE2 3.46Å; G941-E944 PolarHBondContact N-OE2 3.49Å; E942-E944 WeakPolarHBondContact CA-OE2 3.46Å; E942-E944 HydrophobicContact CB-CG 4.45Å; E942-E944 PolarHBondContact N-OE2 2.8Å; E944-R1072 IonicContact OE1-NH2 2.7Å; E944-R1072 PolarHBondContact OE1-NH2 3.15Å; E944-F1073 WeakPolarHBondContact CA-O 3.44Å
945C94.2Very high91.5Very high4 Ų442.3 Ų42.33%0.02723%0.226CC..EExtended strand (participates in β ladder)trans-130.9135.8-179.5-67.70000110.6F1073 L1121 V1149 Y1150C945-F1073 PolarHBondContact N-O 3.15Å; C945-F1073 VanDerWaalsContact N-O 3.1Å; C945-F1073 PolarHBondContact O-N 2.83Å; C945-L1121 HydrophobicContact CB-CD2 3.68Å; C945-V1149 HydrophobicContact CB-CG1 4.33Å; C945-Y1150 WeakPolarHBondContact CA-O 3.41Å
946N95.4Very high91.5Very high0 Ų037.7 Ų37.70%021%0.206CC..EExtended strand (participates in β ladder)trans-98.4135.1166.9-54.8-30.1000109.3V937 F1070 F1071 R1072 V1149 Y1150V937-N946 PolarHBondContact O-ND2 2.84Å; V937-N946 PolarHBondContact O-OD1 3.02Å; N946-F1070 HydrophobicContact CB-CE2 3.76Å; N946-F1070 HydrophobicContact CB-CZ 3.64Å; N946-F1071 CarbonylContact C-O 3.57Å; N946-F1071 VanDerWaalsContact CA-O 3.26Å; N946-F1071 WeakPolarHBondContact CA-O 3.45Å; N946-R1072 WeakPolarHBondContact OD1-CD 3.41Å; N946-R1072 PolarHBondContact OD1-NH1 3.27Å; N946-V1149 CarbonylContact O-C 3.49Å; N946-V1149 VanDerWaalsContact O-CA 3.31Å; N946-V1149 WeakPolarHBondContact O-CA 3.41Å; N946-Y1150 HydrophobicContact CB-CD1 4.29Å; N946-Y1150 PolarHBondContact N-O 2.85Å; N946-Y1150 VanDerWaalsContact ND2-CD1 3.26Å; N946-Y1150 WeakPolarHBondContact ND2-CD1 3.42Å; N946-Y1150 PolarHBondContact O-N 2.84Å
947V95.8Very high91.6Very high0 Ų034.6 Ų34.60%019%0.188CC..EExtended strand (participates in β ladder)trans-123.7129.1175.4-173.70000109.1F1071 F1073 L1121 V1125 V1147 S1148 V1149V947-F1071 HydrophobicContact CB-CB 4.21Å; V947-F1071 HydrophobicContact CB-CD2 4.39Å; V947-F1071 PolarHBondContact N-O 3.46Å; V947-F1071 WeakPolarHBondContact O-CD2 3.47Å; V947-F1071 PolarHBondContact O-N 3Å; V947-F1073 HydrophobicContact CB-CE2 4.22Å; V947-F1073 HydrophobicContact CG2-CD2 3.86Å; V947-F1073 HydrophobicContact CG2-CE2 3.87Å; V947-L1121 HydrophobicContact CG2-CD2 3.67Å; V947-L1121 HydrophobicContact CG2-CG 3.9Å; V947-V1125 HydrophobicContact CB-CG2 4.41Å; V947-V1125 HydrophobicContact CG1-CB 4.27Å; V947-V1125 HydrophobicContact CG1-CG1 4.13Å; V947-V1125 HydrophobicContact CG1-CG2 4.09Å; V947-V1125 HydrophobicContact CG2-CG2 4.32Å; V947-V1147 HydrophobicContact CG1-CG1 3.47Å; V947-V1147 VanDerWaalsContact CG1-CG1 3.47Å; V947-S1148 WeakPolarHBondContact CA-O 3.32Å; V947-V1149 HydrophobicContact CG1-CG2 4.36Å; V947-V1149 HydrophobicContact CG2-CG1 4.3Å; V947-V1149 HydrophobicContact CG2-CG2 4.14Å
948L95.2Very high91.5Very high0 Ų036.8 Ų36.80%020%0.198CC..EExtended strand (participates in β ladder)trans-111.4121.7171.4-170.5157.3000109.2I931 E950 M1069 F1070 V1147 S1148 L1157 F1159I931-L948 HydrophobicContact CD1-CD1 4.31Å; L948-E950 HydrophobicContact CD2-CB 4.47Å; L948-M1069 WeakPolarHBondContact CA-O 3.08Å; L948-F1070 HydrophobicContact CB-CD2 4.37Å; L948-V1147 WeakPolarHBondContact O-CA 3.16Å; L948-S1148 PolarHBondContact N-O 3.23Å; L948-S1148 PolarHBondContact O-N 3.45Å; L948-L1157 HydrophobicContact CB-CD1 4.02Å; L948-L1157 HydrophobicContact CD1-CD2 4.33Å; L948-L1157 HydrophobicContact CD1-CG 4.47Å; L948-F1159 HydrophobicContact CD1-CB 3.66Å; L948-F1159 HydrophobicContact CD1-CD1 3.66Å; L948-F1159 HydrophobicContact CD1-CE1 4.44Å; L948-F1159 HydrophobicContact CD1-CG 3.74Å; L948-F1159 HydrophobicContact CD2-CB 3.45Å; L948-F1159 VanDerWaalsContact CD2-CB 3.45Å; L948-F1159 HydrophobicContact CD2-CG 4.38Å; L948-F1159 HydrophobicContact CG-CB 4.2Å
949L94.1Very high91.5Very high0 Ų038.1 Ų38.10%020%0.204CC..EExtended strand (participates in β ladder)trans-103.9121.4174.2172.165.2000109.5T951 W1068 M1069 F1071 F1126 I1129 V1147L949-T951 HydrophobicContact CD1-CG2 4.49Å; L949-T951 HydrophobicContact CD2-CG2 4.41Å; L949-T951 HydrophobicContact CG-CG2 4.28Å; L949-W1068 VanDerWaalsContact O-CA 3.29Å; L949-W1068 WeakPolarHBondContact O-CA 3.12Å; L949-M1069 HydrophobicContact CB-CB 4.33Å; L949-M1069 HydrophobicContact CD2-SD 4.16Å; L949-M1069 PolarHBondContact N-O 3.04Å; L949-M1069 PolarHBondContact O-N 3.31Å; L949-F1071 HydrophobicContact CB-CE2 4.18Å; L949-F1126 HydrophobicContact CD1-CD2 4.06Å; L949-I1129 HydrophobicContact CD2-CB 3.99Å; L949-I1129 HydrophobicContact CD2-CG1 3.81Å; L949-I1129 HydrophobicContact CD2-CG2 3.95Å; L949-V1147 HydrophobicContact CD1-CG2 3.65Å
950E93.7Very high91.6Very high24 Ų2432.9 Ų32.911%0.11218%0.18CC..EExtended strand (participates in β ladder)trans-108.6124.9167.8173.2-179.3174.900108.4L948 S1145 F1146 A1160L948-E950 HydrophobicContact CD2-CB 4.47Å; E950-S1145 VanDerWaalsContact O-CA 3.27Å; E950-S1145 WeakPolarHBondContact O-CA 3.38Å; E950-S1145 WeakPolarHBondContact O-CB 3.46Å; E950-F1146 HydrophobicContact CB-CB 4.49Å; E950-F1146 PolarHBondContact N-O 2.85Å; E950-F1146 PolarHBondContact O-N 3.3Å; E950-A1160 VanDerWaalsContact OE1-O 3.12Å; E950-A1160 WeakPolarHBondContact OE2-CA 3.43Å; E950-A1160 PolarHBondContact OE2-N 2.7Å
951T92.7Very high91.8Very high2 Ų232.1 Ų32.11%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-156177.2178.8-167.90000112.8L949 R1066 F1067 I1140L949-T951 HydrophobicContact CD1-CG2 4.49Å; L949-T951 HydrophobicContact CD2-CG2 4.41Å; L949-T951 HydrophobicContact CG-CG2 4.28Å; T951-R1066 CarbonylContact O-C 3.53Å; T951-R1066 WeakPolarHBondContact O-CA 3.24Å; T951-F1067 HydrophobicContact CG2-CD1 3.88Å; T951-F1067 HydrophobicContact CG2-CD2 4Å; T951-F1067 HydrophobicContact CG2-CE1 3.25Å; T951-F1067 HydrophobicContact CG2-CE2 3.4Å; T951-F1067 HydrophobicContact CG2-CG 4.23Å; T951-F1067 HydrophobicContact CG2-CZ 3Å; T951-F1067 PolarHBondContact N-O 2.86Å; T951-F1067 PolarHBondContact O-N 3.29Å; T951-I1140 HydrophobicContact CG2-CD1 4.18Å; T951-I1140 HydrophobicContact CG2-CG2 4.33Å; T951-I1140 WeakPolarHBondContact OG1-CG2 3.17Å
952K91.6Very high92.1Very high52 Ų5229.1 Ų29.123%0.22614%0.141CC..EExtended strand (participates in β ladder)trans-133.2140.8-177.6-174.5-173.7166.6-136.40110.7E954 D1065 R1066K952-E954 IonicContact NZ-OE1 3.3Å; K952-E954 IonicContact NZ-OE2 3.51Å; K952-E954 PolarHBondContact NZ-OE2 3.34Å; K952-E954 PolarHBondContact O-N 3.13Å; K952-D1065 CarbonylContact C-O 3.5Å; K952-D1065 WeakPolarHBondContact CA-O 3.08Å; K952-D1065 WeakPolarHBondContact CE-OD2 3.41Å; K952-D1065 HydrophobicContact CG-CB 4.38Å; K952-D1065 WeakPolarHBondContact CG-O 3.48Å; K952-R1066 HydrophobicContact CB-CG 4.28Å; K952-R1066 HydrophobicContact CG-CG 4.16Å
953F92.7Very high92.3Very high2 Ų225.7 Ų25.71%0.00913%0.131CC..  trans-74.1105.8165.4-61.5-49.1000110.1V956 L1020 V1024 D1065 F1067 L1133 T1138F953-V956 HydrophobicContact CB-CG2 3.18Å; F953-V956 HydrophobicContact CG-CG2 4.18Å; F953-L1020 HydrophobicContact CB-CD1 4.48Å; F953-L1020 HydrophobicContact CD1-CD1 4.34Å; F953-L1020 HydrophobicContact CD2-CD1 3.9Å; F953-L1020 HydrophobicContact CE1-CB 4.32Å; F953-L1020 HydrophobicContact CE2-CB 3.88Å; F953-L1020 HydrophobicContact CE2-CD1 4.09Å; F953-L1020 HydrophobicContact CG-CD1 4.03Å; F953-L1020 HydrophobicContact CZ-CB 3.78Å; F953-L1020 HydrophobicContact CZ-CD1 4.43Å; F953-V1024 HydrophobicContact CE1-CG2 4.17Å; F953-V1024 HydrophobicContact CZ-CG2 4.27Å; F953-D1065 PolarHBondContact N-O 3.26Å; F953-F1067 HydrophobicContact CD1-CD1 4.11Å; F953-F1067 AromaticContact CD1-CE1 3.55Å; F953-F1067 HydrophobicContact CD1-CE1 3.55Å; F953-F1067 HydrophobicContact CD2-CD1 4.24Å; F953-F1067 HydrophobicContact CD2-CE1 4.49Å; F953-F1067 AromaticContact CE1-CD1 3.76Å; F953-F1067 HydrophobicContact CE1-CD1 3.76Å; F953-F1067 AromaticContact CE1-CE1 3.19Å; F953-F1067 HydrophobicContact CE1-CE1 3.19Å; F953-F1067 AromaticContact CE1-CZ 3.91Å; F953-F1067 HydrophobicContact CE1-CZ 3.91Å; F953-F1067 AromaticContact CE2-CD1 3.94Å; F953-F1067 HydrophobicContact CE2-CD1 3.94Å; F953-F1067 HydrophobicContact CE2-CE1 4.23Å; F953-F1067 HydrophobicContact CG-CD1 4.32Å; F953-F1067 HydrophobicContact CG-CE1 4.18Å; F953-F1067 AromaticContact CZ-CD1 3.66Å; F953-F1067 HydrophobicContact CZ-CD1 3.66Å; F953-F1067 AromaticContact CZ-CE1 3.58Å; F953-F1067 HydrophobicContact CZ-CE1 3.58Å; F953-F1067 HydrophobicContact CZ-CG 4.48Å; F953-F1067 HydrophobicContact CZ-CZ 4.34Å; F953-L1133 HydrophobicContact CD1-CD1 4Å; F953-L1133 HydrophobicContact CE1-CD1 3.68Å; F953-L1133 HydrophobicContact CE1-CD2 4.48Å; F953-T1138 WeakPolarHBondContact CB-OG1 3.26Å; F953-T1138 HydrophobicContact CD1-CG2 4.07Å
954E90.3Very high92.5Very high35 Ų3525 Ų2516%0.16412%0.121CC..BIsolated β-bridgetrans-78.6136.6-178.1-66.4-65.1174.900112.2K952 V956 T1138 T1139 S1144K952-E954 IonicContact NZ-OE1 3.3Å; K952-E954 IonicContact NZ-OE2 3.51Å; K952-E954 PolarHBondContact NZ-OE2 3.34Å; K952-E954 PolarHBondContact O-N 3.13Å; E954-V956 PolarHBondContact O-N 3.12Å; E954-T1138 PolarHBondContact N-OG1 3.29Å; E954-T1138 PolarHBondContact O-OG1 3.11Å; E954-T1139 HydrophobicContact CB-CG2 3.77Å; E954-T1139 WeakPolarHBondContact CB-O 3.36Å; E954-T1139 PolarHBondContact N-O 3.01Å; E954-S1144 PolarHBondContact OE1-OG 3.21Å
955K88.8Confident92.6Very high122 Ų12223.6 Ų23.653%0.5312%0.115SC..THydrogen-bonded Turntrans5923.6176.1-55.3-179.7-176.61730115.7Y957 E958 K959K955-Y957 VanDerWaalsContact C-N 3.31Å; K955-Y957 PolarHBondContact O-N 3.01Å; K955-E958 HydrophobicContact CB-CB 4.42Å; K955-E958 PolarHBondContact O-N 3.04Å; K955-K959 HydrophobicContact CB-CD 4.36Å; K955-K959 HydrophobicContact CB-CG 4.27Å; K955-K959 WeakPolarHBondContact O-CB 3.28Å; K955-K959 PolarHBondContact O-N 2.89Å
956V89.7Confident92.6Very high8 Ų824.9 Ų24.95%0.04812%0.121CC..Hα-helixtrans-51.1-49.5176.3178.40000111.9F953 E954 E958 K959 I960 Y1016 L1020F953-V956 HydrophobicContact CB-CG2 3.18Å; F953-V956 HydrophobicContact CG-CG2 4.18Å; E954-V956 PolarHBondContact O-N 3.12Å; V956-E958 VanDerWaalsContact C-N 3.25Å; V956-E958 PolarHBondContact O-N 3.41Å; V956-K959 PolarHBondContact O-N 3.14Å; V956-I960 WeakPolarHBondContact O-CG1 3.22Å; V956-I960 PolarHBondContact O-N 3.27Å; V956-Y1016 HydrophobicContact CG1-CD1 3.91Å; V956-Y1016 HydrophobicContact CG1-CE1 4.35Å; V956-L1020 HydrophobicContact CG1-CD1 4.36Å; V956-L1020 HydrophobicContact CG2-CD1 4.03Å
957Y90.9Very high92.6Very high20 Ų2032.4 Ų32.48%0.07815%0.15CC..Hα-helixtrans-60.8-34.5-179-50.8-57.4000113.5K955 G1001 I1002 R1004 T1013 V1064 F1416K955-Y957 VanDerWaalsContact C-N 3.31Å; K955-Y957 PolarHBondContact O-N 3.01Å; Y957-G1001 WeakPolarHBondContact O-CA 3.18Å; Y957-I1002 HydrophobicContact CD1-CG2 4.22Å; Y957-I1002 WeakPolarHBondContact O-CG2 3.26Å; Y957-I1002 PolarHBondContact O-N 3.34Å; Y957-R1004 HydrophobicContact CD1-CG 4.36Å; Y957-R1004 HydrophobicContact CG-CG 4.21Å; Y957-T1013 HydrophobicContact CD1-CG2 4.37Å; Y957-T1013 HydrophobicContact CE1-CG2 3.54Å; Y957-V1064 WeakPolarHBondContact OH-CG1 3.5Å; Y957-F1416 HydrophobicContact CE1-CZ 4.4Å
958E89.2Confident92.5Very high52 Ų5232.4 Ų32.424%0.24315%0.15CC..Hα-helixtrans-84.4-21.7-174.9-68.5170-167.400111.6R762 K955 V956 Y1000 G1001 R1004R762-E958 PolarHBondContact NH1-O 3.08Å; K955-E958 HydrophobicContact CB-CB 4.42Å; K955-E958 PolarHBondContact O-N 3.04Å; V956-E958 VanDerWaalsContact C-N 3.25Å; V956-E958 PolarHBondContact O-N 3.41Å; E958-Y1000 WeakPolarHBondContact O-CE1 3.43Å; E958-G1001 WeakPolarHBondContact O-CA 3.24Å; E958-R1004 IonicContact OE1-NH2 2.69Å
959K92.2Very high92.5Very high47 Ų4732.4 Ų32.420%0.20415%0.15CC..Hα-helixtrans-101.4-2.1-172-73.5-170164.1-172.60116.5K955 V956 D961 Y1000 R1135 V1137K955-K959 HydrophobicContact CB-CD 4.36Å; K955-K959 HydrophobicContact CB-CG 4.27Å; K955-K959 WeakPolarHBondContact O-CB 3.28Å; K955-K959 PolarHBondContact O-N 2.89Å; V956-K959 PolarHBondContact O-N 3.14Å; K959-D961 PolarHBondContact O-N 3.03Å; K959-D961 VanDerWaalsContact O-N 3.14Å; K959-Y1000 VanDerWaalsContact CA-CZ 3.49Å; K959-Y1000 WeakPolarHBondContact CA-OH 3.44Å; K959-Y1000 WeakPolarHBondContact CB-OH 3.4Å; K959-Y1000 VanDerWaalsContact O-CE2 3.22Å; K959-Y1000 WeakPolarHBondContact O-CE2 3.42Å; K959-Y1000 PolarHBondContact O-OH 3.42Å; K959-Y1000 VanDerWaalsContact O-OH 3.12Å; K959-R1135 PolarHBondContact NZ-O 2.92Å; K959-V1137 WeakPolarHBondContact CB-O 3.17Å
960I92.8Very high92.6Very high0 Ų037.3 Ų37.30%017%0.168CC..  trans-66.4113.4176.3-68.1159000109.8V956 L965 G1001 I1002 Y1016V956-I960 WeakPolarHBondContact O-CG1 3.22Å; V956-I960 PolarHBondContact O-N 3.27Å; I960-L965 HydrophobicContact CG2-CB 3.96Å; I960-L965 HydrophobicContact CG2-CD1 4.46Å; I960-L965 HydrophobicContact CG2-CD2 3.97Å; I960-L965 HydrophobicContact CG2-CG 4.34Å; I960-G1001 WeakPolarHBondContact O-CA 3.29Å; I960-G1001 PolarHBondContact O-N 3.11Å; I960-I1002 HydrophobicContact CD1-CB 4.19Å; I960-I1002 HydrophobicContact CD1-CG2 4.14Å; I960-Y1016 HydrophobicContact CD1-CD1 4.18Å; I960-Y1016 HydrophobicContact CD1-CG 4.24Å; I960-Y1016 HydrophobicContact CG1-CD1 3.77Å; I960-Y1016 HydrophobicContact CG1-CD2 4.24Å; I960-Y1016 HydrophobicContact CG1-CE1 3.7Å; I960-Y1016 HydrophobicContact CG1-CE2 4.2Å; I960-Y1016 HydrophobicContact CG1-CG 4.01Å; I960-Y1016 HydrophobicContact CG2-CE2 4.43Å
961D93.1Very high92.6Very high7 Ų737.7 Ų37.74%0.03717%0.171CC..  trans-74.1124.1168.5-174.3-18.2000109.7Y766 K959 T963 L964 L965 Y1000Y766-D961 PolarHBondContact OH-OD1 3.24Å; K959-D961 PolarHBondContact O-N 3.03Å; K959-D961 VanDerWaalsContact O-N 3.14Å; D961-T963 PolarHBondContact O-N 3.24Å; D961-T963 WeakPolarHBondContact OD1-CB 3.33Å; D961-T963 PolarHBondContact OD1-N 3.11Å; D961-T963 PolarHBondContact OD1-OG1 2.91Å; D961-T963 PolarHBondContact OD2-OG1 3.14Å; D961-T963 VanDerWaalsContact OD2-OG1 3.1Å; D961-L964 HydrophobicContact CB-CB 4.24Å; D961-L964 PolarHBondContact O-N 3.5Å; D961-L965 VanDerWaalsContact O-CB 3.26Å; D961-L965 WeakPolarHBondContact O-CB 3.3Å; D961-L965 PolarHBondContact O-N 3.23Å; D961-Y1000 HydrophobicContact CB-CE2 4.48Å
962L92.8Very high92.7Very high14 Ų1437.6 Ų37.67%0.07317%0.17CC..Hα-helixtrans-66.2-27.2-178.3-60-177000112.2L965 N966 T982 N985 N986L962-L965 HydrophobicContact CD2-CD2 4.23Å; L962-N966 PolarHBondContact O-N 3.25Å; L962-T982 HydrophobicContact CB-CG2 4.1Å; L962-T982 WeakPolarHBondContact O-CG2 3.25Å; L962-N985 HydrophobicContact CD1-CB 4.38Å; L962-N985 HydrophobicContact CD2-CB 3.78Å; L962-N986 HydrophobicContact CD1-CB 4.26Å
963T92.3Very high92.8Very high94 Ų9435.3 Ų35.358%0.57716%0.16SC*.Hα-helixtrans-71.3-4817865.80000111.2D961 N966 R967D961-T963 PolarHBondContact O-N 3.24Å; D961-T963 WeakPolarHBondContact OD1-CB 3.33Å; D961-T963 PolarHBondContact OD1-N 3.11Å; D961-T963 PolarHBondContact OD1-OG1 2.91Å; D961-T963 PolarHBondContact OD2-OG1 3.14Å; D961-T963 VanDerWaalsContact OD2-OG1 3.1Å; T963-N966 PolarHBondContact O-N 3.28Å; T963-R967 PolarHBondContact O-N 3.03Å
964L93Very high92.9Very high13 Ų1337.2 Ų37.27%0.06817%0.171CC..Hα-helixtrans-64.2-41.9173.3-179.559.1000110.9V773 A778 D961 N966 R967 L968V773-L964 HydrophobicContact CG1-CD2 4.49Å; A778-L964 HydrophobicContact CB-CD1 4.22Å; D961-L964 HydrophobicContact CB-CB 4.24Å; D961-L964 PolarHBondContact O-N 3.5Å; L964-N966 VanDerWaalsContact C-N 3.32Å; L964-N966 PolarHBondContact O-N 3.41Å; L964-R967 PolarHBondContact O-N 3.11Å; L964-R967 VanDerWaalsContact O-N 3.16Å; L964-L968 HydrophobicContact CD1-CD1 4.35Å; L964-L968 HydrophobicContact CD1-CG 4.24Å; L964-L968 HydrophobicContact CG-CD1 3.99Å; L964-L968 HydrophobicContact CG-CG 4.34Å; L964-L968 WeakPolarHBondContact O-CG 3.38Å; L964-L968 PolarHBondContact O-N 3.17Å
965L94Very high93.1Very high0 Ų039.7 Ų39.70%018%0.182CC..Hα-helixtrans-57.4-44.6176.9177.563.2000111.7I960 D961 L962 R967 L968 L969 I1012I960-L965 HydrophobicContact CG2-CB 3.96Å; I960-L965 HydrophobicContact CG2-CD1 4.46Å; I960-L965 HydrophobicContact CG2-CD2 3.97Å; I960-L965 HydrophobicContact CG2-CG 4.34Å; D961-L965 VanDerWaalsContact O-CB 3.26Å; D961-L965 WeakPolarHBondContact O-CB 3.3Å; D961-L965 PolarHBondContact O-N 3.23Å; L962-L965 HydrophobicContact CD2-CD2 4.23Å; L965-R967 VanDerWaalsContact C-N 3.32Å; L965-R967 PolarHBondContact O-N 3.07Å; L965-L968 PolarHBondContact O-N 3.17Å; L965-L969 HydrophobicContact CD1-CD1 4.03Å; L965-L969 HydrophobicContact CD1-CD2 4.37Å; L965-L969 HydrophobicContact CD1-CG 3.9Å; L965-L969 HydrophobicContact CD2-CD1 4.46Å; L965-L969 HydrophobicContact CG-CD1 3.91Å; L965-L969 HydrophobicContact CG-CG 4.2Å; L965-L969 WeakPolarHBondContact O-CB 3.18Å; L965-L969 VanDerWaalsContact O-CG 3.28Å; L965-L969 WeakPolarHBondContact O-CG 3.47Å; L965-L969 PolarHBondContact O-N 3.37Å; L965-I1012 HydrophobicContact CD1-CG2 3.64Å; L965-I1012 HydrophobicContact CD2-CG2 4.02Å; L965-I1012 HydrophobicContact CG-CG2 4.49Å
966N94.9Very high93.4Very high30 Ų3035.4 Ų35.416%0.1617%0.165CC..Hα-helixtrans-59.8-44.7178-167.8-40.6000111.1L962 T963 L964 L968 L969 R970 D979 T982L962-N966 PolarHBondContact O-N 3.25Å; T963-N966 PolarHBondContact O-N 3.28Å; L964-N966 VanDerWaalsContact C-N 3.32Å; L964-N966 PolarHBondContact O-N 3.41Å; N966-L968 PolarHBondContact O-N 3.02Å; N966-L969 PolarHBondContact O-N 2.92Å; N966-R970 VanDerWaalsContact O-CG 3.32Å; N966-R970 WeakPolarHBondContact O-CG 3.4Å; N966-R970 PolarHBondContact O-N 3.45Å; N966-R970 WeakPolarHBondContact OD1-CD 3.46Å; N966-R970 PolarHBondContact OD1-NE 3.05Å; N966-D979 PolarHBondContact ND2-OD1 3.31Å; N966-T982 HydrophobicContact CB-CG2 3.96Å; N966-T982 WeakPolarHBondContact CB-OG1 3.46Å
967R94.1Very high93.7Very high159 Ų15935 Ų3560%0.616%0.163SC*.Hα-helixtrans-61.5-43.9177.4-66.2-63.9-174.1175.30.7112.4Y782 T963 L964 L965 R970Y782-R967 HydrophobicContact CD2-CB 4.23Å; Y782-R967 HydrophobicContact CE2-CB 4.11Å; T963-R967 PolarHBondContact O-N 3.03Å; L964-R967 PolarHBondContact O-N 3.11Å; L964-R967 VanDerWaalsContact O-N 3.16Å; L965-R967 VanDerWaalsContact C-N 3.32Å; L965-R967 PolarHBondContact O-N 3.07Å; R967-R970 PolarHBondContact O-N 3.48Å
968L94.5Very high93.8Very high0 Ų034.1 Ų34.10%016%0.159CC..Hα-helixtrans-65.6-44.5176.6-65.4172000111.3Y782 T785 L964 L965 N966 R970 L971 Y1015 Y1016 V1019Y782-L968 HydrophobicContact CD2-CD2 4.22Å; T785-L968 HydrophobicContact CG2-CD2 4.24Å; L964-L968 HydrophobicContact CD1-CD1 4.35Å; L964-L968 HydrophobicContact CD1-CG 4.24Å; L964-L968 HydrophobicContact CG-CD1 3.99Å; L964-L968 HydrophobicContact CG-CG 4.34Å; L964-L968 WeakPolarHBondContact O-CG 3.38Å; L964-L968 PolarHBondContact O-N 3.17Å; L965-L968 PolarHBondContact O-N 3.17Å; N966-L968 PolarHBondContact O-N 3.02Å; L968-R970 VanDerWaalsContact C-N 3.3Å; L968-R970 PolarHBondContact O-N 2.93Å; L968-L971 VanDerWaalsContact O-CB 3.28Å; L968-L971 WeakPolarHBondContact O-CB 3.32Å; L968-L971 PolarHBondContact O-N 3.34Å; L968-Y1015 HydrophobicContact CB-CE1 3.79Å; L968-Y1015 PolarHBondContact O-OH 2.93Å; L968-Y1016 HydrophobicContact CD1-CD2 4.17Å; L968-Y1016 HydrophobicContact CD1-CE2 4.09Å; L968-V1019 HydrophobicContact CD1-CG2 4.38Å
969L95.4Very high94.2Very high0 Ų033.4 Ų33.40%016%0.157CC..Hα-helixtrans-61.7-37.5178.2-72178.5000112.3L965 N966 L971 I972 V973 A978 M981 Y1015L965-L969 HydrophobicContact CD1-CD1 4.03Å; L965-L969 HydrophobicContact CD1-CD2 4.37Å; L965-L969 HydrophobicContact CD1-CG 3.9Å; L965-L969 HydrophobicContact CD2-CD1 4.46Å; L965-L969 HydrophobicContact CG-CD1 3.91Å; L965-L969 HydrophobicContact CG-CG 4.2Å; L965-L969 WeakPolarHBondContact O-CB 3.18Å; L965-L969 VanDerWaalsContact O-CG 3.28Å; L965-L969 WeakPolarHBondContact O-CG 3.47Å; L965-L969 PolarHBondContact O-N 3.37Å; N966-L969 PolarHBondContact O-N 2.92Å; L969-L971 PolarHBondContact O-N 3.17Å; L969-L971 VanDerWaalsContact O-N 3.14Å; L969-I972 HydrophobicContact CD2-CD1 3.97Å; L969-I972 HydrophobicContact CD2-CG1 4.38Å; L969-I972 VanDerWaalsContact O-CG1 3.25Å; L969-I972 WeakPolarHBondContact O-CG1 3.44Å; L969-I972 PolarHBondContact O-N 2.96Å; L969-V973 HydrophobicContact CB-CG2 4.22Å; L969-V973 WeakPolarHBondContact O-CG2 3.25Å; L969-V973 PolarHBondContact O-N 3.28Å; L969-A978 HydrophobicContact CB-CB 3.73Å; L969-M981 HydrophobicContact CD1-CB 3.84Å; L969-M981 HydrophobicContact CD1-CE 3.88Å; L969-M981 HydrophobicContact CD1-SD 4.23Å; L969-M981 HydrophobicContact CD2-CE 3.77Å; L969-Y1015 HydrophobicContact CD2-CD1 4.14Å; L969-Y1015 HydrophobicContact CD2-CE1 4.37Å
970R95.5Very high94.3Very high102 Ų10231.1 Ų31.139%0.38515%0.147SC..Hα-helixtrans-61.9-18.2175.7-75.1175.6-179.4-101.3-4.3114N966 R967 L968 A978 D979N966-R970 VanDerWaalsContact O-CG 3.32Å; N966-R970 WeakPolarHBondContact O-CG 3.4Å; N966-R970 PolarHBondContact O-N 3.45Å; N966-R970 WeakPolarHBondContact OD1-CD 3.46Å; N966-R970 PolarHBondContact OD1-NE 3.05Å; R967-R970 PolarHBondContact O-N 3.48Å; L968-R970 VanDerWaalsContact C-N 3.3Å; L968-R970 PolarHBondContact O-N 2.93Å; R970-A978 HydrophobicContact CG-CB 3.8Å; R970-D979 IonicContact CZ-OD1 2.66Å; R970-D979 IonicContact CZ-OD2 3.46Å; R970-D979 IonicContact NE-OD1 2.7Å; R970-D979 IonicContact NH2-OD1 3.45Å; R970-D979 PolarHBondContact NH2-OD1 3.21Å; R970-D979 IonicContact NH2-OD2 3.45Å; R970-D979 PolarHBondContact NH2-OD2 3.43Å
971L93.5Very high94.5Very high33 Ų3331.1 Ų31.117%0.17315%0.147CC..Hα-helixtrans-74.7-28.2172.5-61.1177.7000112.3Y782 T785 V786 L789 L968 L969Y782-L971 HydrophobicContact CD2-CD1 4.05Å; Y782-L971 HydrophobicContact CE2-CD1 3.7Å; Y782-L971 HydrophobicContact CE2-CD2 3.85Å; Y782-L971 HydrophobicContact CE2-CG 3.83Å; Y782-L971 WeakPolarHBondContact OH-CD2 3.49Å; T785-L971 HydrophobicContact CG2-CD1 3.87Å; V786-L971 HydrophobicContact CG2-CD1 3.81Å; V786-L971 HydrophobicContact CG2-CD2 3.85Å; L789-L971 HydrophobicContact CD1-CB 3.69Å; L789-L971 HydrophobicContact CD1-CD1 4.25Å; L968-L971 VanDerWaalsContact O-CB 3.28Å; L968-L971 WeakPolarHBondContact O-CB 3.32Å; L968-L971 PolarHBondContact O-N 3.34Å; L969-L971 PolarHBondContact O-N 3.17Å; L969-L971 VanDerWaalsContact O-N 3.14Å
972I94.5Very high94.6Very high0 Ų031.6 Ų31.60%015%0.15CC..Hα-helixtrans-112.5-24.6-169.758.5159.3000114.9L789 F794 I797 L907 L969 F1011 Y1015L789-I972 HydrophobicContact CD1-CG2 3.88Å; L789-I972 HydrophobicContact CD2-CG2 4.29Å; F794-I972 HydrophobicContact CE1-CB 4.08Å; F794-I972 HydrophobicContact CE1-CG2 4.06Å; I797-I972 WeakPolarHBondContact CB-O 3.19Å; I797-I972 PolarHBondContact N-O 3.36Å; L907-I972 HydrophobicContact CD1-CG2 3.88Å; L907-I972 HydrophobicContact CD2-CD1 4.15Å; L969-I972 HydrophobicContact CD2-CD1 3.97Å; L969-I972 HydrophobicContact CD2-CG1 4.38Å; L969-I972 VanDerWaalsContact O-CG1 3.25Å; L969-I972 WeakPolarHBondContact O-CG1 3.44Å; L969-I972 PolarHBondContact O-N 2.96Å; I972-F1011 HydrophobicContact CD1-CE1 3.63Å; I972-F1011 HydrophobicContact CD1-CZ 3.76Å; I972-Y1015 HydrophobicContact CD1-CD1 3.65Å; I972-Y1015 HydrophobicContact CD1-CD2 3.89Å; I972-Y1015 HydrophobicContact CD1-CE1 3.67Å; I972-Y1015 HydrophobicContact CD1-CE2 3.96Å; I972-Y1015 HydrophobicContact CD1-CG 3.76Å; I972-Y1015 HydrophobicContact CG1-CE1 4.07Å; I972-Y1015 HydrophobicContact CG1-CE2 4.43Å; I972-Y1015 HydrophobicContact CG2-CD2 4.41Å; I972-Y1015 HydrophobicContact CG2-CE2 3.59Å
973V94.7Very high94.7Very high3 Ų332 Ų322%0.01816%0.156CC..BIsolated β-bridgetrans-131.5162.5-178.3-62.60000111I797 L898 L969 I977 A978I797-V973 HydrophobicContact CB-CG1 4.1Å; I797-V973 HydrophobicContact CD1-CG1 4.16Å; I797-V973 CarbonylContact O-C 3.51Å; I797-V973 WeakPolarHBondContact O-CA 3.47Å; L898-V973 HydrophobicContact CD2-CG1 3.6Å; L969-V973 HydrophobicContact CB-CG2 4.22Å; L969-V973 WeakPolarHBondContact O-CG2 3.25Å; L969-V973 PolarHBondContact O-N 3.28Å; V973-I977 HydrophobicContact CB-CB 4.25Å; V973-I977 HydrophobicContact CB-CG2 4.18Å; V973-I977 HydrophobicContact CG1-CG2 4.45Å; V973-I977 HydrophobicContact CG2-CB 4.15Å; V973-I977 HydrophobicContact CG2-CG2 4.05Å; V973-A978 HydrophobicContact CG2-CB 3.92Å
974D95.4Very high94.8Very high42 Ų4227.5 Ų27.523%0.22513%0.128CC..  trans-53.5142.3169-177.865.5000111.7I797 F799 N976 I977 A978I797-D974 PolarHBondContact O-N 3.36Å; F799-D974 HydrophobicContact CB-CB 4.29Å; D974-N976 PolarHBondContact O-N 2.83Å; D974-N976 VanDerWaalsContact O-N 3.13Å; D974-N976 VanDerWaalsContact OD2-CB 3.28Å; D974-N976 WeakPolarHBondContact OD2-CB 3.34Å; D974-N976 PolarHBondContact OD2-N 2.76Å; D974-N976 PolarHBondContact OD2-ND2 3.44Å; D974-I977 HydrophobicContact CB-CD1 4.46Å; D974-I977 WeakPolarHBondContact O-CB 3.23Å; D974-I977 PolarHBondContact O-N 2.93Å; D974-A978 PolarHBondContact O-N 3.25Å
975H93.8Very high94.9Very high88 Ų8826.9 Ų26.941%0.40713%0.125SC..Hα-helixtrans-52.5-36-179.264.5-71.6000113.9I977 A978 D979H975-I977 VanDerWaalsContact C-N 3.34Å; H975-I977 PolarHBondContact O-N 3.41Å; H975-A978 PolarHBondContact O-N 2.75Å; H975-D979 WeakPolarHBondContact O-CB 3.35Å; H975-D979 VanDerWaalsContact O-CG 3.23Å; H975-D979 PolarHBondContact O-N 3.29Å
976N94.9Very high95Very high32 Ų3231 Ų3117%0.17115%0.147CC..Hα-helixtrans-66.7-38.3178.1-66.3-68.4000112.2F799 L858 R861 D974 Y980F799-N976 HydrophobicContact CD2-CB 4.43Å; L858-N976 HydrophobicContact CD2-CB 4.37Å; R861-N976 PolarHBondContact NH2-O 2.89Å; D974-N976 PolarHBondContact O-N 2.83Å; D974-N976 VanDerWaalsContact O-N 3.13Å; D974-N976 VanDerWaalsContact OD2-CB 3.28Å; D974-N976 WeakPolarHBondContact OD2-CB 3.34Å; D974-N976 PolarHBondContact OD2-N 2.76Å; D974-N976 PolarHBondContact OD2-ND2 3.44Å; N976-Y980 WeakPolarHBondContact O-CB 3.43Å; N976-Y980 PolarHBondContact O-N 2.9Å
977I95.5Very high94.9Very high0 Ų029.7 Ų29.70%014%0.14CC..Hα-helixtrans-69.3-44.2176.9-62.3177.1000109.6F799 L894 Y897 L898 V973 D974 H975 D979 Y980 M981F799-I977 HydrophobicContact CD2-CD1 4.47Å; F799-I977 HydrophobicContact CD2-CG1 4.17Å; L894-I977 HydrophobicContact CD1-CD1 4.44Å; L894-I977 HydrophobicContact CD1-CG2 3.84Å; L894-I977 HydrophobicContact CD2-CG2 4.37Å; Y897-I977 HydrophobicContact CE1-CD1 4.27Å; L898-I977 HydrophobicContact CD2-CG2 4.24Å; V973-I977 HydrophobicContact CB-CB 4.25Å; V973-I977 HydrophobicContact CB-CG2 4.18Å; V973-I977 HydrophobicContact CG1-CG2 4.45Å; V973-I977 HydrophobicContact CG2-CB 4.15Å; V973-I977 HydrophobicContact CG2-CG2 4.05Å; D974-I977 HydrophobicContact CB-CD1 4.46Å; D974-I977 WeakPolarHBondContact O-CB 3.23Å; D974-I977 PolarHBondContact O-N 2.93Å; H975-I977 VanDerWaalsContact C-N 3.34Å; H975-I977 PolarHBondContact O-N 3.41Å; I977-D979 VanDerWaalsContact C-N 3.32Å; I977-D979 PolarHBondContact O-N 3.16Å; I977-Y980 PolarHBondContact O-N 3.45Å; I977-M981 HydrophobicContact CG2-CG 4.22Å; I977-M981 HydrophobicContact CG2-SD 3.65Å; I977-M981 WeakPolarHBondContact O-CB 3.37Å; I977-M981 VanDerWaalsContact O-CG 3.27Å; I977-M981 WeakPolarHBondContact O-CG 3.36Å; I977-M981 PolarHBondContact O-N 2.91Å
978A94.8Very high95Very high0 Ų024.6 Ų24.60%013%0.127CC..Hα-helixtrans-57.6-45175.700000111.7L969 R970 V973 D974 H975 M981 T982L969-A978 HydrophobicContact CB-CB 3.73Å; R970-A978 HydrophobicContact CG-CB 3.8Å; V973-A978 HydrophobicContact CG2-CB 3.92Å; D974-A978 PolarHBondContact O-N 3.25Å; H975-A978 PolarHBondContact O-N 2.75Å; A978-M981 PolarHBondContact O-N 2.76Å; A978-T982 WeakPolarHBondContact O-CB 3.43Å; A978-T982 PolarHBondContact O-N 2.85Å; A978-T982 PolarHBondContact O-OG1 2.64Å
979D95.7Very high95Very high37 Ų3724.9 Ų24.920%0.19813%0.128CC..Hα-helixtrans-67.4-40178.3-70.8-26.7000112.1N966 R970 H975 I977 A983N966-D979 PolarHBondContact ND2-OD1 3.31Å; R970-D979 IonicContact CZ-OD1 2.66Å; R970-D979 IonicContact CZ-OD2 3.46Å; R970-D979 IonicContact NE-OD1 2.7Å; R970-D979 IonicContact NH2-OD1 3.45Å; R970-D979 PolarHBondContact NH2-OD1 3.21Å; R970-D979 IonicContact NH2-OD2 3.45Å; R970-D979 PolarHBondContact NH2-OD2 3.43Å; H975-D979 WeakPolarHBondContact O-CB 3.35Å; H975-D979 VanDerWaalsContact O-CG 3.23Å; H975-D979 PolarHBondContact O-N 3.29Å; I977-D979 VanDerWaalsContact C-N 3.32Å; I977-D979 PolarHBondContact O-N 3.16Å; D979-A983 WeakPolarHBondContact O-CB 3.23Å; D979-A983 PolarHBondContact O-N 3.49Å
980Y96.1Very high94.9Very high0 Ų026.5 Ų26.50%014%0.136CC..Hα-helixtrans-59.8-52.3173.4-176.4-88.7000111.3L857 F863 T890 D891 L894 N976 I977 T982 A983 K984 F1008L857-Y980 HydrophobicContact CD2-CD1 3.81Å; L857-Y980 HydrophobicContact CD2-CD2 4.04Å; L857-Y980 HydrophobicContact CD2-CE1 3.93Å; L857-Y980 HydrophobicContact CD2-CE2 4.13Å; L857-Y980 HydrophobicContact CD2-CG 3.88Å; F863-Y980 HydrophobicContact CE1-CD2 4.24Å; F863-Y980 AromaticContact CE1-CE2 3.49Å; F863-Y980 HydrophobicContact CE1-CE2 3.49Å; F863-Y980 VanDerWaalsContact CE1-CE2 3.49Å; F863-Y980 AromaticContact CE1-CZ 3.75Å; F863-Y980 AromaticContact CZ-CD2 3.72Å; F863-Y980 HydrophobicContact CZ-CD2 3.72Å; F863-Y980 HydrophobicContact CZ-CE1 4.49Å; F863-Y980 AromaticContact CZ-CE2 3.45Å; F863-Y980 HydrophobicContact CZ-CE2 3.45Å; F863-Y980 VanDerWaalsContact CZ-CE2 3.45Å; F863-Y980 HydrophobicContact CZ-CG 4.36Å; F863-Y980 AromaticContact CZ-CZ 3.86Å; T890-Y980 HydrophobicContact CG2-CE2 4.32Å; T890-Y980 VanDerWaalsContact CG2-OH 3.29Å; T890-Y980 WeakPolarHBondContact CG2-OH 3Å; D891-Y980 PolarHBondContact OD1-OH 3.04Å; D891-Y980 VanDerWaalsContact OD1-OH 3.1Å; L894-Y980 HydrophobicContact CD2-CD1 3.72Å; L894-Y980 HydrophobicContact CD2-CE1 3.99Å; N976-Y980 WeakPolarHBondContact O-CB 3.43Å; N976-Y980 PolarHBondContact O-N 2.9Å; I977-Y980 PolarHBondContact O-N 3.45Å; Y980-T982 VanDerWaalsContact C-N 3.33Å; Y980-T982 PolarHBondContact O-N 3.09Å; Y980-A983 PolarHBondContact O-N 3.2Å; Y980-K984 WeakPolarHBondContact O-CB 3.38Å; Y980-K984 PolarHBondContact O-N 3.17Å; Y980-F1008 HydrophobicContact CD1-CE1 4.5Å; Y980-F1008 HydrophobicContact CE1-CE1 4.07Å
981M95.5Very high94.8Very high0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-62.1-39.2-178.7-71.5171.466.100112.4L894 L898 L969 I977 A978 N985 F1008 F1011 I1012L894-M981 HydrophobicContact CD2-CG 4Å; L898-M981 HydrophobicContact CD1-CE 4.06Å; L898-M981 HydrophobicContact CD1-SD 3.75Å; L969-M981 HydrophobicContact CD1-CB 3.84Å; L969-M981 HydrophobicContact CD1-CE 3.88Å; L969-M981 HydrophobicContact CD1-SD 4.23Å; L969-M981 HydrophobicContact CD2-CE 3.77Å; I977-M981 HydrophobicContact CG2-CG 4.22Å; I977-M981 HydrophobicContact CG2-SD 3.65Å; I977-M981 WeakPolarHBondContact O-CB 3.37Å; I977-M981 VanDerWaalsContact O-CG 3.27Å; I977-M981 WeakPolarHBondContact O-CG 3.36Å; I977-M981 PolarHBondContact O-N 2.91Å; A978-M981 PolarHBondContact O-N 2.76Å; M981-N985 PolarHBondContact O-ND2 3.29Å; M981-F1008 HydrophobicContact CB-CD2 4.44Å; M981-F1008 HydrophobicContact CB-CE2 3.89Å; M981-F1008 HydrophobicContact CB-CZ 4.4Å; M981-F1008 HydrophobicContact CE-CD2 4.02Å; M981-F1008 HydrophobicContact CG-CD2 3.94Å; M981-F1008 HydrophobicContact CG-CE2 3.78Å; M981-F1008 HydrophobicContact CG-CZ 4.21Å; M981-F1011 HydrophobicContact CE-CD1 3.86Å; M981-F1011 HydrophobicContact CE-CE1 4.33Å; M981-I1012 HydrophobicContact CB-CD1 4.46Å; M981-I1012 HydrophobicContact CE-CD1 3.75Å; M981-I1012 HydrophobicContact CE-CG1 3.34Å
982T95.6Very high94.7Very high17 Ų1728.5 Ų28.510%0.10415%0.146CC..Hα-helixtrans-68.2-52.2177.6-55.50000110.6L962 N966 A978 Y980 K984 N985L962-T982 HydrophobicContact CB-CG2 4.1Å; L962-T982 WeakPolarHBondContact O-CG2 3.25Å; N966-T982 HydrophobicContact CB-CG2 3.96Å; N966-T982 WeakPolarHBondContact CB-OG1 3.46Å; A978-T982 WeakPolarHBondContact O-CB 3.43Å; A978-T982 PolarHBondContact O-N 2.85Å; A978-T982 PolarHBondContact O-OG1 2.64Å; Y980-T982 VanDerWaalsContact C-N 3.33Å; Y980-T982 PolarHBondContact O-N 3.09Å; T982-K984 PolarHBondContact O-N 3.11Å; T982-N985 PolarHBondContact O-N 3.48Å
983A94.8Very high94.3Very high22 Ų2231.3 Ų31.318%0.18216%0.161CC..Hα-helixtrans-65.4-29.3-177.500000112.3R861 F863 D979 Y980 N985 N986R861-A983 HydrophobicContact CB-CB 4.26Å; R861-A983 VanDerWaalsContact O-CB 3.31Å; R861-A983 WeakPolarHBondContact O-CB 3.32Å; F863-A983 HydrophobicContact CE2-CB 4.12Å; D979-A983 WeakPolarHBondContact O-CB 3.23Å; D979-A983 PolarHBondContact O-N 3.49Å; Y980-A983 PolarHBondContact O-N 3.2Å; A983-N985 VanDerWaalsContact C-N 3.27Å; A983-N985 PolarHBondContact O-N 3.02Å; A983-N986 PolarHBondContact O-N 2.74Å
984K95.4Very high94.3Very high0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-68.2-23.1177.4-172.759.2175.3172.70114.1F863 E887 D891 Y980 T982 N986 V987 L1006 F1008F863-K984 HydrophobicContact CB-CD 4.23Å; F863-K984 HydrophobicContact CD1-CD 3.64Å; F863-K984 HydrophobicContact CD2-CB 4.2Å; F863-K984 HydrophobicContact CD2-CD 3.67Å; F863-K984 HydrophobicContact CE1-CD 3.81Å; F863-K984 VanDerWaalsContact CE2-CA 3.47Å; F863-K984 HydrophobicContact CE2-CB 3.78Å; F863-K984 HydrophobicContact CE2-CD 3.85Å; F863-K984 HydrophobicContact CE2-CG 4.46Å; F863-K984 HydrophobicContact CG-CD 3.55Å; F863-K984 HydrophobicContact CZ-CB 4.11Å; F863-K984 HydrophobicContact CZ-CD 3.92Å; E887-K984 IonicContact OE1-NZ 2.77Å; E887-K984 IonicContact OE2-NZ 3.72Å; E887-K984 PolarHBondContact OE2-NZ 2.96Å; D891-K984 VanDerWaalsContact OD2-CE 3.3Å; D891-K984 WeakPolarHBondContact OD2-CE 3.38Å; Y980-K984 WeakPolarHBondContact O-CB 3.38Å; Y980-K984 PolarHBondContact O-N 3.17Å; T982-K984 PolarHBondContact O-N 3.11Å; K984-N986 VanDerWaalsContact C-N 3.34Å; K984-V987 WeakPolarHBondContact O-CG1 3.48Å; K984-L1006 HydrophobicContact CB-CD1 4.4Å; K984-L1006 HydrophobicContact CD-CD2 4.26Å; K984-L1006 HydrophobicContact CG-CD1 3.8Å; K984-L1006 HydrophobicContact CG-CD2 3.79Å; K984-L1006 HydrophobicContact CG-CG 4.42Å; K984-F1008 HydrophobicContact CB-CZ 3.83Å; K984-F1008 HydrophobicContact CG-CE1 4.1Å; K984-F1008 HydrophobicContact CG-CZ 3.66Å
985N94.9Very high94.1Very high0 Ų033.3 Ų33.30%017%0.171CC..Hα-helixtrans-77.8-23170.8-76.5-67.1000112.5L962 M981 T982 A983 V987 N998 I1002 I1003 L1006L962-N985 HydrophobicContact CD1-CB 4.38Å; L962-N985 HydrophobicContact CD2-CB 3.78Å; M981-N985 PolarHBondContact O-ND2 3.29Å; T982-N985 PolarHBondContact O-N 3.48Å; A983-N985 VanDerWaalsContact C-N 3.27Å; A983-N985 PolarHBondContact O-N 3.02Å; N985-V987 PolarHBondContact O-N 3Å; N985-N998 PolarHBondContact O-ND2 3.04Å; N985-I1002 WeakPolarHBondContact OD1-CG1 3.5Å; N985-I1003 PolarHBondContact OD1-N 3.26Å; N985-L1006 WeakPolarHBondContact OD1-CD1 3.42Å
986N94.6Very high94.1Very high85 Ų8530 Ų3046%0.45516%0.156SC..SBendtrans-88.870.3179.6-170.110000111.8L962 A983 K984 T997 N998L962-N986 HydrophobicContact CD1-CB 4.26Å; A983-N986 PolarHBondContact O-N 2.74Å; K984-N986 VanDerWaalsContact C-N 3.34Å; N986-T997 WeakPolarHBondContact OD1-CG2 3.47Å; N986-N998 WeakPolarHBondContact CA-O 3.21Å; N986-N998 PolarHBondContact OD1-O 3.18Å
987V94.6Very high94Very high4 Ų431.8 Ų31.82%0.02417%0.169CC..  trans-121.5163.1179.7-62.50000112F863 V866 K984 N985 N998 I1003F863-V987 HydrophobicContact CB-CG1 3.78Å; F863-V987 HydrophobicContact CD2-CG1 4.46Å; V866-V987 HydrophobicContact CB-CG2 4.22Å; V866-V987 HydrophobicContact CG2-CB 4.37Å; V866-V987 HydrophobicContact CG2-CG2 3.74Å; K984-V987 WeakPolarHBondContact O-CG1 3.48Å; N985-V987 PolarHBondContact O-N 3Å; V987-N998 PolarHBondContact O-N 3.09Å; V987-I1003 HydrophobicContact CG2-CD1 3.09Å
988V95.5Very high94Very high52 Ų5232 Ų3232%0.31517%0.17SC..EExtended strand (participates in β ladder)trans-77.8121.9171.8-179.10000109.2E865 V866 N995 H996E865-V988 CarbonylContact C-O 3.34Å; E865-V988 WeakPolarHBondContact CA-O 3.1Å; E865-V988 HydrophobicContact CB-CB 4Å; E865-V988 HydrophobicContact CB-CG1 4.32Å; E865-V988 WeakPolarHBondContact CB-O 3.26Å; V866-V988 PolarHBondContact N-O 2.71Å; V988-N995 HydrophobicContact CG1-CB 4.15Å; V988-H996 CarbonylContact C-O 3.57Å; V988-H996 VanDerWaalsContact CA-O 3.3Å; V988-H996 WeakPolarHBondContact CA-O 3.35Å
989I94.9Very high93.8Very high6 Ų633.1 Ų33.13%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-91.8124173.5-64.6174000108.9L756 V866 I868 Y881 N995 H996 N998 I1003L756-I989 HydrophobicContact CD2-CG2 4.44Å; V866-I989 WeakPolarHBondContact O-CA 3.21Å; I868-I989 HydrophobicContact CB-CG2 3.89Å; I868-I989 HydrophobicContact CD1-CG2 4.38Å; I868-I989 HydrophobicContact CG2-CG2 3.58Å; Y881-I989 HydrophobicContact CE1-CD1 4.25Å; I989-N995 WeakPolarHBondContact O-CA 3.13Å; I989-H996 VanDerWaalsContact CB-CE1 3.5Å; I989-H996 WeakPolarHBondContact CB-CE1 3.37Å; I989-H996 PolarHBondContact N-O 2.61Å; I989-H996 PolarHBondContact O-N 2.9Å; I989-N998 HydrophobicContact CD1-CB 3.97Å; I989-N998 HydrophobicContact CG1-CB 4.49Å; I989-I1003 HydrophobicContact CD1-CD1 4.4Å; I989-I1003 HydrophobicContact CG1-CD1 4.41Å
990N93.2Very high93.7Very high33 Ų3331.6 Ų31.618%0.17617%0.169CC..EExtended strand (participates in β ladder)trans-115.3130.2-175.3-178.2-1.9000112.4E865 V866 G867 I868 K992 N995E865-N990 PolarHBondContact OE1-ND2 2.9Å; E865-N990 PolarHBondContact OE2-ND2 3.47Å; V866-N990 PolarHBondContact O-N 3.11Å; G867-N990 WeakPolarHBondContact CA-O 3.39Å; I868-N990 PolarHBondContact N-O 2.77Å; N990-K992 PolarHBondContact OD1-N 3.37Å; N990-N995 VanDerWaalsContact CG-OD1 3.27Å; N990-N995 PolarHBondContact OD1-OD1 3.5Å; N990-N995 VanDerWaalsContact OD1-OD1 3.14Å
991Y93.1Very high93.5Very high30 Ų3031.6 Ų31.612%0.11817%0.169CC..EExtended strand (participates in β ladder)trans-136.1103.5160.7178.2-104.6000111.2T752 R753 L756 I868 D993 M994T752-Y991 HydrophobicContact CG2-CD1 3.78Å; T752-Y991 HydrophobicContact CG2-CD2 3.99Å; T752-Y991 HydrophobicContact CG2-CE1 3.7Å; T752-Y991 HydrophobicContact CG2-CE2 3.88Å; T752-Y991 HydrophobicContact CG2-CG 3.92Å; R753-Y991 HydrophobicContact CG-CE1 4.31Å; L756-Y991 HydrophobicContact CD1-CD1 3.97Å; L756-Y991 HydrophobicContact CD1-CG 3.94Å; I868-Y991 VanDerWaalsContact O-CD2 3.23Å; I868-Y991 WeakPolarHBondContact O-CD2 3.32Å; Y991-D993 VanDerWaalsContact C-N 3.34Å; Y991-D993 PolarHBondContact O-N 2.92Å; Y991-M994 PolarHBondContact N-O 3.03Å; Y991-M994 PolarHBondContact O-N 3.3Å
992K91.6Very high93.3Very high148 Ų14832 Ų3264%0.64317%0.171SC*.THydrogen-bonded Turntrans59.3-86.1177.5-62.7174.5177160.50113.2N990N990-K992 PolarHBondContact OD1-N 3.37Å
993D86.8Confident93.3Very high58 Ų5831.2 Ų31.231%0.3117%0.166SC..THydrogen-bonded Turntrans-118.5-0.2-172.951.8-41.3000111.8A694 R753 Y991A694-D993 HydrophobicContact CB-CB 4.1Å; A694-D993 WeakPolarHBondContact CB-OD2 3.4Å; R753-D993 IonicContact CZ-OD1 3.66Å; R753-D993 IonicContact CZ-OD2 2.83Å; R753-D993 VanDerWaalsContact NH1-CG 3.28Å; R753-D993 IonicContact NH1-OD1 3.72Å; R753-D993 PolarHBondContact NH1-OD1 2.77Å; R753-D993 IonicContact NH1-OD2 3.76Å; R753-D993 PolarHBondContact NH1-OD2 3.21Å; R753-D993 VanDerWaalsContact NH2-CG 3.26Å; R753-D993 IonicContact NH2-OD1 3.65Å; R753-D993 PolarHBondContact NH2-OD1 2.63Å; R753-D993 IonicContact NH2-OD2 3.66Å; R753-D993 PolarHBondContact NH2-OD2 2.84Å; Y991-D993 VanDerWaalsContact C-N 3.34Å; Y991-D993 PolarHBondContact O-N 2.92Å
994M93.2Very high93.2Very high1 Ų131.5 Ų31.51%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-111.8121.8-179.4-58.4-174.570.500109.9A694 N695 R753 L756 K757 Y991A694-M994 WeakPolarHBondContact O-CG 3.43Å; N695-M994 HydrophobicContact CB-CE 4.03Å; R753-M994 HydrophobicContact CB-SD 4.03Å; R753-M994 HydrophobicContact CG-SD 3.85Å; L756-M994 HydrophobicContact CB-CE 3.41Å; L756-M994 VanDerWaalsContact CB-CE 3.41Å; L756-M994 HydrophobicContact CB-SD 3.88Å; L756-M994 HydrophobicContact CD1-CB 4.21Å; L756-M994 HydrophobicContact CD1-SD 4.07Å; K757-M994 HydrophobicContact CG-CE 4.02Å; Y991-M994 PolarHBondContact N-O 3.03Å; Y991-M994 PolarHBondContact O-N 3.3Å
995N92.5Very high93.1Very high86 Ų8631.6 Ų31.646%0.4616%0.163SC..EExtended strand (participates in β ladder)trans-127.9143.2178.1-63.9-21.1000109.8Q760 V988 I989 N990Q760-N995 PolarHBondContact NE2-O 3.39Å; V988-N995 HydrophobicContact CG1-CB 4.15Å; I989-N995 WeakPolarHBondContact O-CA 3.13Å; N990-N995 VanDerWaalsContact CG-OD1 3.27Å; N990-N995 PolarHBondContact OD1-OD1 3.5Å; N990-N995 VanDerWaalsContact OD1-OD1 3.14Å
996H92.4Very high93.1Very high19 Ų1931.6 Ų31.69%0.08816%0.163CC..EExtended strand (participates in β ladder)trans-158.3156.7169.868.5-76.4000111E759 Q760 V988 I989E759-H996 WeakPolarHBondContact CG-NE2 3.16Å; Q760-H996 HydrophobicContact CG-CB 3.5Å; Q760-H996 VanDerWaalsContact CG-CB 3.5Å; V988-H996 CarbonylContact C-O 3.57Å; V988-H996 VanDerWaalsContact CA-O 3.3Å; V988-H996 WeakPolarHBondContact CA-O 3.35Å; I989-H996 VanDerWaalsContact CB-CE1 3.5Å; I989-H996 WeakPolarHBondContact CB-CE1 3.37Å; I989-H996 PolarHBondContact N-O 2.61Å; I989-H996 PolarHBondContact O-N 2.9Å
997T93.8Very high93.1Very high70 Ų7028 Ų2843%0.42914%0.144SC..EExtended strand (participates in β ladder)trans-92.3128176.6-53.90000109.8N986 S999N986-T997 WeakPolarHBondContact OD1-CG2 3.47Å; T997-S999 PolarHBondContact O-N 3.47Å; T997-S999 VanDerWaalsContact O-N 3.1Å
998N94.5Very high93.1Very high4 Ų427.8 Ų27.82%0.02114%0.142CC..  trans-78.490174.8-178.852.2000110.4Q763 N985 N986 V987 I989 Y1000 G1001 I1003Q763-N998 PolarHBondContact NE2-OD1 2.66Å; N985-N998 PolarHBondContact O-ND2 3.04Å; N986-N998 WeakPolarHBondContact CA-O 3.21Å; N986-N998 PolarHBondContact OD1-O 3.18Å; V987-N998 PolarHBondContact O-N 3.09Å; I989-N998 HydrophobicContact CD1-CB 3.97Å; I989-N998 HydrophobicContact CG1-CB 4.49Å; N998-Y1000 PolarHBondContact OD1-O 3.1Å; N998-G1001 PolarHBondContact ND2-O 3.29Å; N998-I1003 HydrophobicContact CB-CD1 4.46Å
999S92.1Very high93Very high23 Ų2325.3 Ų25.316%0.16113%0.127CC..  trans-92-18.118028.50000112.7Q763 T997Q763-S999 PolarHBondContact OE1-OG 2.88Å; T997-S999 PolarHBondContact O-N 3.47Å; T997-S999 VanDerWaalsContact O-N 3.1Å
1000Y92.4Very high92.9Very high6 Ų625 Ų252%0.02413%0.126CC..SBendtrans-137.5132.6179.2-177.8-135.8000112.1R762 Q763 Y766 Y772 E958 K959 D961 N998R762-Y1000 VanDerWaalsContact NH1-CE1 3.32Å; R762-Y1000 PolarHBondContact NH2-O 2.76Å; Q763-Y1000 PolarHBondContact NE2-O 3.2Å; Y766-Y1000 HydrophobicContact CD1-CG 4.18Å; Y766-Y1000 AromaticContact CD2-CD1 3.75Å; Y766-Y1000 HydrophobicContact CD2-CD1 3.75Å; Y766-Y1000 AromaticContact CD2-CD2 3.83Å; Y766-Y1000 HydrophobicContact CD2-CD2 3.83Å; Y766-Y1000 HydrophobicContact CD2-CE1 4.22Å; Y766-Y1000 HydrophobicContact CD2-CE2 4.26Å; Y766-Y1000 AromaticContact CD2-CG 3.57Å; Y766-Y1000 HydrophobicContact CD2-CG 3.57Å; Y766-Y1000 HydrophobicContact CE1-CG 4.4Å; Y766-Y1000 HydrophobicContact CE2-CD1 4.37Å; Y766-Y1000 AromaticContact CE2-CD2 3.59Å; Y766-Y1000 HydrophobicContact CE2-CD2 3.59Å; Y766-Y1000 HydrophobicContact CE2-CE2 4.01Å; Y766-Y1000 AromaticContact CE2-CG 3.81Å; Y766-Y1000 HydrophobicContact CE2-CG 3.81Å; Y766-Y1000 AromaticContact CG-CD1 3.95Å; Y766-Y1000 HydrophobicContact CG-CD1 3.95Å; Y766-Y1000 HydrophobicContact CG-CD2 4.38Å; Y766-Y1000 AromaticContact CG-CG 3.74Å; Y766-Y1000 HydrophobicContact CG-CG 3.74Å; Y766-Y1000 AromaticContact CZ-CD2 3.99Å; Y772-Y1000 AromaticContact CD2-CE1 3.69Å; Y772-Y1000 HydrophobicContact CD2-CE1 3.69Å; Y772-Y1000 AromaticContact CD2-CZ 3.7Å; Y772-Y1000 HydrophobicContact CE2-CD1 4.1Å; Y772-Y1000 AromaticContact CE2-CE1 3.55Å; Y772-Y1000 HydrophobicContact CE2-CE1 3.55Å; E958-Y1000 WeakPolarHBondContact O-CE1 3.43Å; K959-Y1000 VanDerWaalsContact CA-CZ 3.49Å; K959-Y1000 WeakPolarHBondContact CA-OH 3.44Å; K959-Y1000 WeakPolarHBondContact CB-OH 3.4Å; K959-Y1000 VanDerWaalsContact O-CE2 3.22Å; K959-Y1000 WeakPolarHBondContact O-CE2 3.42Å; K959-Y1000 PolarHBondContact O-OH 3.42Å; K959-Y1000 VanDerWaalsContact O-OH 3.12Å; D961-Y1000 HydrophobicContact CB-CE2 4.48Å; N998-Y1000 PolarHBondContact OD1-O 3.1Å
1001G91.5Very high93Very high0 Ų023.5 Ų23.50%012%0.117CC..SBendtrans89.5169.6-175.200000114Y957 E958 I960 N998Y957-G1001 WeakPolarHBondContact O-CA 3.18Å; E958-G1001 WeakPolarHBondContact O-CA 3.24Å; I960-G1001 WeakPolarHBondContact O-CA 3.29Å; I960-G1001 PolarHBondContact O-N 3.11Å; N998-G1001 PolarHBondContact ND2-O 3.29Å
1002I92.9Very high93.1Very high7 Ų722 Ų224%0.03611%0.112CC..  trans-103.8148-172.9-157.4-178.6000113.1Y957 I960 N985 R1004 I1012Y957-I1002 HydrophobicContact CD1-CG2 4.22Å; Y957-I1002 WeakPolarHBondContact O-CG2 3.26Å; Y957-I1002 PolarHBondContact O-N 3.34Å; I960-I1002 HydrophobicContact CD1-CB 4.19Å; I960-I1002 HydrophobicContact CD1-CG2 4.14Å; N985-I1002 WeakPolarHBondContact OD1-CG1 3.5Å; I1002-R1004 HydrophobicContact CG2-CG 4.43Å; I1002-R1004 PolarHBondContact O-N 2.96Å; I1002-I1012 HydrophobicContact CD1-CB 3.64Å; I1002-I1012 HydrophobicContact CD1-CD1 3.93Å; I1002-I1012 HydrophobicContact CD1-CG1 4.39Å; I1002-I1012 HydrophobicContact CD1-CG2 3.4Å
1003I94.7Very high93.2Very high1 Ų115.2 Ų15.21%0.0058%0.082CC..  trans-88.5104.2170.8-60.9-176000110.2Y881 N985 V987 I989 N998 G1005 L1006 S1009Y881-I1003 HydrophobicContact CD1-CG2 3.75Å; Y881-I1003 HydrophobicContact CD2-CG2 4.11Å; Y881-I1003 HydrophobicContact CE1-CG2 4.02Å; Y881-I1003 HydrophobicContact CE2-CG2 4.35Å; Y881-I1003 HydrophobicContact CG-CG2 3.79Å; N985-I1003 PolarHBondContact OD1-N 3.26Å; V987-I1003 HydrophobicContact CG2-CD1 3.09Å; I989-I1003 HydrophobicContact CD1-CD1 4.4Å; I989-I1003 HydrophobicContact CG1-CD1 4.41Å; N998-I1003 HydrophobicContact CB-CD1 4.46Å; I1003-G1005 PolarHBondContact O-N 3.27Å; I1003-G1005 VanDerWaalsContact O-N 3.11Å; I1003-L1006 HydrophobicContact CB-CD1 4.12Å; I1003-L1006 HydrophobicContact CB-CG 4Å; I1003-L1006 HydrophobicContact CG2-CD2 4.39Å; I1003-L1006 HydrophobicContact CG2-CG 3.97Å; I1003-L1006 WeakPolarHBondContact O-CG 3.41Å; I1003-L1006 PolarHBondContact O-N 3.01Å; I1003-S1009 PolarHBondContact O-OG 3.15Å
1004R93.5Very high93.5Very high29 Ų2912.6 Ų12.611%0.1097%0.068CC..THydrogen-bonded Turntrans-62.8-19.7-177-59.9170.4-120.9-176.2-5114.5Y881 Y957 E958 I1002 S1009 Y1419Y881-R1004 HydrophobicContact CE2-CB 4.12Å; Y957-R1004 HydrophobicContact CD1-CG 4.36Å; Y957-R1004 HydrophobicContact CG-CG 4.21Å; E958-R1004 IonicContact OE1-NH2 2.69Å; I1002-R1004 HydrophobicContact CG2-CG 4.43Å; I1002-R1004 PolarHBondContact O-N 2.96Å; R1004-S1009 WeakPolarHBondContact CA-OG 3.38Å; R1004-Y1419 HydrophobicContact CB-CD1 4.07Å; R1004-Y1419 HydrophobicContact CB-CD2 3.89Å; R1004-Y1419 HydrophobicContact CB-CE2 4.4Å; R1004-Y1419 HydrophobicContact CB-CG 3.71Å; R1004-Y1419 WeakPolarHBondContact O-CB 3.19Å
1005G92.5Very high93.6Very high1 Ų112.6 Ų12.61%0.017%0.068CC..THydrogen-bonded Turntrans-92.22.6-178.100000115.4Y881 I1003 Q1420Y881-G1005 VanDerWaalsContact CD2-N 3.33Å; I1003-G1005 PolarHBondContact O-N 3.27Å; I1003-G1005 VanDerWaalsContact O-N 3.11Å; G1005-Q1420 WeakPolarHBondContact O-CG 3.29Å
1006L95Very high93.7Very high1 Ų18.6 Ų8.61%0.0055%0.047CC..SBendtrans-67.6153166.1-59.3175.9000109.9V883 K984 N985 I1003 F1008 S1009 Q1420V883-L1006 HydrophobicContact CG2-CD2 4.18Å; K984-L1006 HydrophobicContact CB-CD1 4.4Å; K984-L1006 HydrophobicContact CD-CD2 4.26Å; K984-L1006 HydrophobicContact CG-CD1 3.8Å; K984-L1006 HydrophobicContact CG-CD2 3.79Å; K984-L1006 HydrophobicContact CG-CG 4.42Å; N985-L1006 WeakPolarHBondContact OD1-CD1 3.42Å; I1003-L1006 HydrophobicContact CB-CD1 4.12Å; I1003-L1006 HydrophobicContact CB-CG 4Å; I1003-L1006 HydrophobicContact CG2-CD2 4.39Å; I1003-L1006 HydrophobicContact CG2-CG 3.97Å; I1003-L1006 WeakPolarHBondContact O-CG 3.41Å; I1003-L1006 PolarHBondContact O-N 3.01Å; L1006-F1008 HydrophobicContact CB-CZ 4.44Å; L1006-F1008 HydrophobicContact CD1-CE2 4.11Å; L1006-F1008 HydrophobicContact CD1-CZ 3.95Å; L1006-S1009 PolarHBondContact O-N 3.44Å; L1006-Q1420 PolarHBondContact O-NE2 2.67Å
1007Q93.5Very high93.7Very high9 Ų97.9 Ų7.94%0.0425%0.045CC..THydrogen-bonded Turntrans-67.2-46.1-178.6-59.1-60.2-53.700111.6K888 D891 A892 D895 S1009 Q1420K888-Q1007 HydrophobicContact CG-CG 4.4Å; D891-Q1007 HydrophobicContact CB-CB 3.86Å; D891-Q1007 HydrophobicContact CB-CG 3.83Å; A892-Q1007 HydrophobicContact CB-CG 4.08Å; D895-Q1007 HydrophobicContact CB-CB 4.13Å; D895-Q1007 VanDerWaalsContact OD1-O 3.11Å; Q1007-S1009 VanDerWaalsContact C-N 3.28Å; Q1007-S1009 PolarHBondContact O-N 3.3Å; Q1007-Q1420 VanDerWaalsContact OE1-OE1 3.08Å
1008F94.9Very high93.7Very high0 Ų04.6 Ų4.60%03%0.025CC..THydrogen-bonded Turntrans-82.46.7179.259.8-98.7000114.5D891 L894 D895 L898 Y980 M981 K984 L1006 S1010 F1011 I1012D891-F1008 HydrophobicContact CB-CD1 4.09Å; D891-F1008 HydrophobicContact CB-CE1 4.13Å; D891-F1008 WeakPolarHBondContact OD1-CE1 3.44Å; L894-F1008 HydrophobicContact CD2-CD1 3.98Å; L894-F1008 HydrophobicContact CD2-CE1 4.24Å; L894-F1008 HydrophobicContact CD2-CG 4.45Å; D895-F1008 HydrophobicContact CB-CB 4.07Å; D895-F1008 WeakPolarHBondContact OD1-CA 3.43Å; L898-F1008 HydrophobicContact CD1-CB 4.25Å; Y980-F1008 HydrophobicContact CD1-CE1 4.5Å; Y980-F1008 HydrophobicContact CE1-CE1 4.07Å; M981-F1008 HydrophobicContact CB-CD2 4.44Å; M981-F1008 HydrophobicContact CB-CE2 3.89Å; M981-F1008 HydrophobicContact CB-CZ 4.4Å; M981-F1008 HydrophobicContact CE-CD2 4.02Å; M981-F1008 HydrophobicContact CG-CD2 3.94Å; M981-F1008 HydrophobicContact CG-CE2 3.78Å; M981-F1008 HydrophobicContact CG-CZ 4.21Å; K984-F1008 HydrophobicContact CB-CZ 3.83Å; K984-F1008 HydrophobicContact CG-CE1 4.1Å; K984-F1008 HydrophobicContact CG-CZ 3.66Å; L1006-F1008 HydrophobicContact CB-CZ 4.44Å; L1006-F1008 HydrophobicContact CD1-CE2 4.11Å; L1006-F1008 HydrophobicContact CD1-CZ 3.95Å; F1008-S1010 PolarHBondContact O-N 2.93Å; F1008-F1011 WeakPolarHBondContact O-CB 3.43Å; F1008-F1011 PolarHBondContact O-N 3.03Å; F1008-F1011 VanDerWaalsContact O-N 3.1Å; F1008-I1012 HydrophobicContact CD2-CD1 3.69Å; F1008-I1012 HydrophobicContact CD2-CG1 4.31Å; F1008-I1012 HydrophobicContact CE2-CD1 3.69Å; F1008-I1012 PolarHBondContact O-N 3.37Å
1009S93.9Very high93.7Very high0 Ų04.7 Ų4.70%03%0.025CC..Hα-helixtrans-62.4-25.8176.7-179.80000112.3I1003 R1004 L1006 Q1007 T1013I1003-S1009 PolarHBondContact O-OG 3.15Å; R1004-S1009 WeakPolarHBondContact CA-OG 3.38Å; L1006-S1009 PolarHBondContact O-N 3.44Å; Q1007-S1009 VanDerWaalsContact C-N 3.28Å; Q1007-S1009 PolarHBondContact O-N 3.3Å; S1009-T1013 WeakPolarHBondContact O-CB 3.24Å; S1009-T1013 PolarHBondContact O-N 3.15Å; S1009-T1013 VanDerWaalsContact O-N 3.08Å; S1009-T1013 PolarHBondContact O-OG1 3.3Å
1010S93.1Very high93.8Very high0 Ų03.7 Ų3.70%02%0.018CC..Hα-helixtrans-57.7-48.1172.258.20000110.9D895 W899 F1008 T1013 Q1014D895-S1010 PolarHBondContact OD1-OG 3.3Å; D895-S1010 VanDerWaalsContact OD1-OG 3.08Å; W899-S1010 PolarHBondContact NE1-OG 3.28Å; F1008-S1010 PolarHBondContact O-N 2.93Å; S1010-T1013 PolarHBondContact O-N 2.75Å; S1010-Q1014 VanDerWaalsContact O-CG 3.32Å; S1010-Q1014 WeakPolarHBondContact O-CG 3.28Å; S1010-Q1014 PolarHBondContact O-N 3.29Å; S1010-Q1014 VanDerWaalsContact O-N 3.14Å
1011F95.1Very high93.9Very high0 Ų03.4 Ų3.40%02%0.017CC..Hα-helixtrans-64-48.5-179.2-177.7-97.2000111.9I797 L898 W899 A902 L907 F908 I972 M981 F1008 T1013 Q1014 Y1015I797-F1011 HydrophobicContact CD1-CZ 4.42Å; L898-F1011 HydrophobicContact CB-CD2 4.1Å; L898-F1011 HydrophobicContact CB-CE2 4.26Å; L898-F1011 HydrophobicContact CB-CG 4.23Å; L898-F1011 HydrophobicContact CD1-CD1 3.98Å; L898-F1011 HydrophobicContact CD1-CE1 4.34Å; L898-F1011 HydrophobicContact CD1-CG 4.27Å; L898-F1011 HydrophobicContact CD2-CE1 4.37Å; L898-F1011 HydrophobicContact CD2-CZ 4.48Å; W899-F1011 HydrophobicContact CD2-CD2 4.42Å; W899-F1011 HydrophobicContact CZ2-CB 4.28Å; A902-F1011 HydrophobicContact CB-CE2 3.66Å; A902-F1011 HydrophobicContact CB-CZ 4.44Å; L907-F1011 HydrophobicContact CD2-CE2 4.01Å; L907-F1011 HydrophobicContact CD2-CZ 3.8Å; F908-F1011 AromaticContact CE2-CD2 3.93Å; F908-F1011 HydrophobicContact CE2-CD2 3.93Å; F908-F1011 AromaticContact CE2-CE2 3.79Å; F908-F1011 HydrophobicContact CE2-CE2 3.79Å; F908-F1011 AromaticContact CZ-CD2 3.85Å; F908-F1011 HydrophobicContact CZ-CD2 3.85Å; F908-F1011 AromaticContact CZ-CE2 3.75Å; F908-F1011 HydrophobicContact CZ-CE2 3.75Å; I972-F1011 HydrophobicContact CD1-CE1 3.63Å; I972-F1011 HydrophobicContact CD1-CZ 3.76Å; M981-F1011 HydrophobicContact CE-CD1 3.86Å; M981-F1011 HydrophobicContact CE-CE1 4.33Å; F1008-F1011 WeakPolarHBondContact O-CB 3.43Å; F1008-F1011 PolarHBondContact O-N 3.03Å; F1008-F1011 VanDerWaalsContact O-N 3.1Å; F1011-T1013 VanDerWaalsContact C-N 3.32Å; F1011-T1013 PolarHBondContact O-N 3.22Å; F1011-Q1014 PolarHBondContact O-N 3.32Å; F1011-Y1015 WeakPolarHBondContact O-CB 3.48Å; F1011-Y1015 PolarHBondContact O-N 2.63Å
1012I95.1Very high94Very high0 Ų03.5 Ų3.50%02%0.017CC..Hα-helixtrans-59.3-44.7178.6-63.9169.9000110.9L965 M981 I1002 F1008 Q1014 Y1015 Y1016L965-I1012 HydrophobicContact CD1-CG2 3.64Å; L965-I1012 HydrophobicContact CD2-CG2 4.02Å; L965-I1012 HydrophobicContact CG-CG2 4.49Å; M981-I1012 HydrophobicContact CB-CD1 4.46Å; M981-I1012 HydrophobicContact CE-CD1 3.75Å; M981-I1012 HydrophobicContact CE-CG1 3.34Å; I1002-I1012 HydrophobicContact CD1-CB 3.64Å; I1002-I1012 HydrophobicContact CD1-CD1 3.93Å; I1002-I1012 HydrophobicContact CD1-CG1 4.39Å; I1002-I1012 HydrophobicContact CD1-CG2 3.4Å; F1008-I1012 HydrophobicContact CD2-CD1 3.69Å; F1008-I1012 HydrophobicContact CD2-CG1 4.31Å; F1008-I1012 HydrophobicContact CE2-CD1 3.69Å; F1008-I1012 PolarHBondContact O-N 3.37Å; I1012-Q1014 PolarHBondContact O-N 3.16Å; I1012-Y1015 PolarHBondContact O-N 3.1Å; I1012-Y1016 WeakPolarHBondContact O-CB 3.38Å; I1012-Y1016 PolarHBondContact O-N 3.28Å
1013T93.1Very high94Very high4 Ų44.9 Ų4.93%0.0253%0.025CC..Hα-helixtrans-60.9-47.4-179.3-58.10000111.1Y957 S1009 S1010 F1011 Y1015 Y1016 G1017 V1064 F1416Y957-T1013 HydrophobicContact CD1-CG2 4.37Å; Y957-T1013 HydrophobicContact CE1-CG2 3.54Å; S1009-T1013 WeakPolarHBondContact O-CB 3.24Å; S1009-T1013 PolarHBondContact O-N 3.15Å; S1009-T1013 VanDerWaalsContact O-N 3.08Å; S1009-T1013 PolarHBondContact O-OG1 3.3Å; S1010-T1013 PolarHBondContact O-N 2.75Å; F1011-T1013 VanDerWaalsContact C-N 3.32Å; F1011-T1013 PolarHBondContact O-N 3.22Å; T1013-Y1015 VanDerWaalsContact C-N 3.32Å; T1013-Y1015 PolarHBondContact O-N 3.35Å; T1013-Y1016 PolarHBondContact O-N 2.95Å; T1013-G1017 PolarHBondContact O-N 2.99Å; T1013-V1064 HydrophobicContact CG2-CG1 4.13Å; T1013-F1416 HydrophobicContact CG2-CZ 4.03Å
1014Q94.1Very high93.9Very high3 Ų34.9 Ų4.91%0.0143%0.025CC..Hα-helixtrans-68.8-35-176.2-65.7-62.9-10.400112W899 F908 I912 S1010 F1011 I1012 G1017 L1018 R1062 V1412W899-Q1014 HydrophobicContact CH2-CB 4.2Å; W899-Q1014 HydrophobicContact CH2-CG 4.01Å; W899-Q1014 HydrophobicContact CZ2-CG 4.35Å; F908-Q1014 HydrophobicContact CD1-CB 4.45Å; F908-Q1014 HydrophobicContact CE1-CB 3.83Å; F908-Q1014 HydrophobicContact CZ-CB 4.06Å; I912-Q1014 HydrophobicContact CG2-CB 4.47Å; I912-Q1014 VanDerWaalsContact CG2-OE1 3.24Å; S1010-Q1014 VanDerWaalsContact O-CG 3.32Å; S1010-Q1014 WeakPolarHBondContact O-CG 3.28Å; S1010-Q1014 PolarHBondContact O-N 3.29Å; S1010-Q1014 VanDerWaalsContact O-N 3.14Å; F1011-Q1014 PolarHBondContact O-N 3.32Å; I1012-Q1014 PolarHBondContact O-N 3.16Å; Q1014-G1017 PolarHBondContact O-N 3.48Å; Q1014-L1018 PolarHBondContact O-N 3.11Å; Q1014-R1062 PolarHBondContact O-NH2 2.97Å; Q1014-V1412 HydrophobicContact CG-CG2 4.24Å
1015Y94.8Very high94Very high1 Ų13.7 Ų3.70%0.0042%0.021CC..Hα-helixtrans-70.4-44.5175.3177.2-119.1000112.3L907 L968 L969 I972 F1011 I1012 T1013 G1017 L1018 V1019L907-Y1015 HydrophobicContact CD2-CD2 4.45Å; L968-Y1015 HydrophobicContact CB-CE1 3.79Å; L968-Y1015 PolarHBondContact O-OH 2.93Å; L969-Y1015 HydrophobicContact CD2-CD1 4.14Å; L969-Y1015 HydrophobicContact CD2-CE1 4.37Å; I972-Y1015 HydrophobicContact CD1-CD1 3.65Å; I972-Y1015 HydrophobicContact CD1-CD2 3.89Å; I972-Y1015 HydrophobicContact CD1-CE1 3.67Å; I972-Y1015 HydrophobicContact CD1-CE2 3.96Å; I972-Y1015 HydrophobicContact CD1-CG 3.76Å; I972-Y1015 HydrophobicContact CG1-CE1 4.07Å; I972-Y1015 HydrophobicContact CG1-CE2 4.43Å; I972-Y1015 HydrophobicContact CG2-CD2 4.41Å; I972-Y1015 HydrophobicContact CG2-CE2 3.59Å; F1011-Y1015 WeakPolarHBondContact O-CB 3.48Å; F1011-Y1015 PolarHBondContact O-N 2.63Å; I1012-Y1015 PolarHBondContact O-N 3.1Å; T1013-Y1015 VanDerWaalsContact C-N 3.32Å; T1013-Y1015 PolarHBondContact O-N 3.35Å; Y1015-G1017 VanDerWaalsContact C-N 3.26Å; Y1015-G1017 PolarHBondContact O-N 2.94Å; Y1015-L1018 HydrophobicContact CD2-CD2 4.49Å; Y1015-L1018 WeakPolarHBondContact O-CB 3.47Å; Y1015-L1018 PolarHBondContact O-N 3.49Å; Y1015-L1018 VanDerWaalsContact O-N 3.08Å; Y1015-V1019 PolarHBondContact O-N 3.2Å; Y1015-V1019 VanDerWaalsContact O-N 3.12Å
1016Y94.2Very high93.9Very high2 Ų25 Ų51%0.0083%0.034CC..Hα-helixtrans-64.7-35.3174.1-160.5-99.1000111.7V956 I960 L968 I1012 T1013 L1018 V1019 L1020 V1137V956-Y1016 HydrophobicContact CG1-CD1 3.91Å; V956-Y1016 HydrophobicContact CG1-CE1 4.35Å; I960-Y1016 HydrophobicContact CD1-CD1 4.18Å; I960-Y1016 HydrophobicContact CD1-CG 4.24Å; I960-Y1016 HydrophobicContact CG1-CD1 3.77Å; I960-Y1016 HydrophobicContact CG1-CD2 4.24Å; I960-Y1016 HydrophobicContact CG1-CE1 3.7Å; I960-Y1016 HydrophobicContact CG1-CE2 4.2Å; I960-Y1016 HydrophobicContact CG1-CG 4.01Å; I960-Y1016 HydrophobicContact CG2-CE2 4.43Å; L968-Y1016 HydrophobicContact CD1-CD2 4.17Å; L968-Y1016 HydrophobicContact CD1-CE2 4.09Å; I1012-Y1016 WeakPolarHBondContact O-CB 3.38Å; I1012-Y1016 PolarHBondContact O-N 3.28Å; T1013-Y1016 PolarHBondContact O-N 2.95Å; Y1016-L1018 VanDerWaalsContact C-N 3.34Å; Y1016-V1019 WeakPolarHBondContact O-CB 3.48Å; Y1016-V1019 PolarHBondContact O-N 3.45Å; Y1016-L1020 HydrophobicContact CD1-CD1 4.41Å; Y1016-L1020 PolarHBondContact O-N 2.98Å; Y1016-L1020 VanDerWaalsContact O-N 3.12Å; Y1016-V1137 HydrophobicContact CE1-CG1 3.81Å; Y1016-V1137 WeakPolarHBondContact OH-CG1 3.22Å
1017G93.3Very high93.8Very high4 Ų48 Ų84%0.0415%0.05CC..Hα-helixtrans-63.1-36.4170.600000113T1013 Q1014 Y1015 V1019 L1020 D1021 R1062T1013-G1017 PolarHBondContact O-N 2.99Å; Q1014-G1017 PolarHBondContact O-N 3.48Å; Y1015-G1017 VanDerWaalsContact C-N 3.26Å; Y1015-G1017 PolarHBondContact O-N 2.94Å; G1017-V1019 VanDerWaalsContact C-N 3.33Å; G1017-L1020 WeakPolarHBondContact O-CB 3.43Å; G1017-L1020 PolarHBondContact O-N 3.46Å; G1017-D1021 PolarHBondContact O-N 3.19Å; G1017-R1062 VanDerWaalsContact C-CZ 3.48Å; G1017-R1062 PolarHBondContact O-NE 3.14Å
1018L94.1Very high93.7Very high2 Ų215 Ų151%0.018%0.082CC..Hα-helixtrans-62-43.4173.1171.360000110.8P909 W911 I912 Q1014 Y1015 Y1016 L1020 D1021 L1022 R1062P909-L1018 HydrophobicContact CG-CD1 3.68Å; W911-L1018 HydrophobicContact CZ2-CD1 4.16Å; I912-L1018 HydrophobicContact CD1-CB 3.84Å; I912-L1018 HydrophobicContact CD1-CD1 4.09Å; I912-L1018 HydrophobicContact CD1-CG 4.37Å; Q1014-L1018 PolarHBondContact O-N 3.11Å; Y1015-L1018 HydrophobicContact CD2-CD2 4.49Å; Y1015-L1018 WeakPolarHBondContact O-CB 3.47Å; Y1015-L1018 PolarHBondContact O-N 3.49Å; Y1015-L1018 VanDerWaalsContact O-N 3.08Å; Y1016-L1018 VanDerWaalsContact C-N 3.34Å; L1018-L1020 VanDerWaalsContact C-N 3.25Å; L1018-L1020 PolarHBondContact O-N 3.47Å; L1018-D1021 WeakPolarHBondContact O-CB 3.22Å; L1018-D1021 PolarHBondContact O-N 3.26Å; L1018-D1021 VanDerWaalsContact O-N 3.1Å; L1018-L1022 HydrophobicContact CD1-CD2 4.47Å; L1018-L1022 HydrophobicContact CD1-CG 4.28Å; L1018-L1022 WeakPolarHBondContact O-CG 3.4Å; L1018-L1022 PolarHBondContact O-N 2.87Å; L1018-R1062 VanDerWaalsContact N-NH2 3.18Å
1019V94.4Very high93.7Very high6 Ų615.2 Ų15.24%0.0368%0.083CC..Hα-helixtrans-57.7-42.3175.5176.60000110.8I781 T785 L968 Y1015 Y1016 G1017 L1022 L1023I781-V1019 HydrophobicContact CG2-CG1 3.34Å; T785-V1019 HydrophobicContact CG2-CG2 4.26Å; L968-V1019 HydrophobicContact CD1-CG2 4.38Å; Y1015-V1019 PolarHBondContact O-N 3.2Å; Y1015-V1019 VanDerWaalsContact O-N 3.12Å; Y1016-V1019 WeakPolarHBondContact O-CB 3.48Å; Y1016-V1019 PolarHBondContact O-N 3.45Å; G1017-V1019 VanDerWaalsContact C-N 3.33Å; V1019-L1022 PolarHBondContact O-N 3.24Å; V1019-L1023 WeakPolarHBondContact O-CG 3.42Å; V1019-L1023 PolarHBondContact O-N 3.39Å
1020L93.5Very high93.6Very high1 Ų115.2 Ų15.21%0.0058%0.083CC..Hα-helixtrans-65.8-39.7173.9-69.1177.9000113.2F953 V956 Y1016 G1017 L1018 L1022 L1023 V1024 L1133 V1137 T1138F953-L1020 HydrophobicContact CB-CD1 4.48Å; F953-L1020 HydrophobicContact CD1-CD1 4.34Å; F953-L1020 HydrophobicContact CD2-CD1 3.9Å; F953-L1020 HydrophobicContact CE1-CB 4.32Å; F953-L1020 HydrophobicContact CE2-CB 3.88Å; F953-L1020 HydrophobicContact CE2-CD1 4.09Å; F953-L1020 HydrophobicContact CG-CD1 4.03Å; F953-L1020 HydrophobicContact CZ-CB 3.78Å; F953-L1020 HydrophobicContact CZ-CD1 4.43Å; V956-L1020 HydrophobicContact CG1-CD1 4.36Å; V956-L1020 HydrophobicContact CG2-CD1 4.03Å; Y1016-L1020 HydrophobicContact CD1-CD1 4.41Å; Y1016-L1020 PolarHBondContact O-N 2.98Å; Y1016-L1020 VanDerWaalsContact O-N 3.12Å; G1017-L1020 WeakPolarHBondContact O-CB 3.43Å; G1017-L1020 PolarHBondContact O-N 3.46Å; L1018-L1020 VanDerWaalsContact C-N 3.25Å; L1018-L1020 PolarHBondContact O-N 3.47Å; L1020-L1022 VanDerWaalsContact C-N 3.26Å; L1020-L1022 PolarHBondContact O-N 2.94Å; L1020-L1023 HydrophobicContact CD2-CD1 4.19Å; L1020-L1023 WeakPolarHBondContact O-CB 3.32Å; L1020-L1023 PolarHBondContact O-N 3.25Å; L1020-V1024 WeakPolarHBondContact O-CG2 3.35Å; L1020-V1024 PolarHBondContact O-N 3.24Å; L1020-V1024 VanDerWaalsContact O-N 3.07Å; L1020-L1133 HydrophobicContact CD2-CD2 4Å; L1020-V1137 HydrophobicContact CD2-CG1 3.53Å; L1020-V1137 HydrophobicContact CG-CG1 4.49Å; L1020-T1138 HydrophobicContact CD1-CG2 4.11Å; L1020-T1138 HydrophobicContact CD2-CG2 3.81Å
1021D94.5Very high93.5Very high0 Ų017 Ų170%010%0.098CC..Hα-helixtrans-58.7-41.1176.8-61.7-33.1000111.1W911 G1017 L1018 L1023 V1024 L1025 Y1060 R1062W911-D1021 PolarHBondContact NE1-OD2 3.2Å; G1017-D1021 PolarHBondContact O-N 3.19Å; L1018-D1021 WeakPolarHBondContact O-CB 3.22Å; L1018-D1021 PolarHBondContact O-N 3.26Å; L1018-D1021 VanDerWaalsContact O-N 3.1Å; D1021-L1023 VanDerWaalsContact C-N 3.32Å; D1021-L1023 PolarHBondContact O-N 2.99Å; D1021-V1024 PolarHBondContact O-N 3.26Å; D1021-L1025 WeakPolarHBondContact O-CB 3.46Å; D1021-L1025 WeakPolarHBondContact O-CG 3.43Å; D1021-L1025 PolarHBondContact O-N 2.88Å; D1021-Y1060 HydrophobicContact CB-CE1 4Å; D1021-Y1060 WeakPolarHBondContact OD1-CE1 3.49Å; D1021-Y1060 PolarHBondContact OD1-OH 3.42Å; D1021-R1062 WeakPolarHBondContact OD1-CD 3.45Å; D1021-R1062 IonicContact OD1-CZ 3.78Å; D1021-R1062 IonicContact OD1-NE 3.7Å; D1021-R1062 PolarHBondContact OD1-NE 2.94Å; D1021-R1062 IonicContact OD2-CZ 2.72Å; D1021-R1062 VanDerWaalsContact OD2-CZ 3.27Å; D1021-R1062 IonicContact OD2-NE 3.03Å; D1021-R1062 PolarHBondContact OD2-NE 3.32Å; D1021-R1062 IonicContact OD2-NH2 2.61Å; D1021-R1062 PolarHBondContact OD2-NH2 2.88Å
1022L94.4Very high93.4Very high3 Ų319.1 Ų19.12%0.01611%0.108CC..Hα-helixtrans-65.6-34.5178.5-63.4173000112.3T784 W788 L1018 V1019 L1020 G1026 L1027 A1030T784-L1022 HydrophobicContact CG2-CB 4.1Å; W788-L1022 HydrophobicContact CB-CD1 3.61Å; W788-L1022 HydrophobicContact CB-CD2 4.38Å; W788-L1022 HydrophobicContact CD2-CD1 4.14Å; W788-L1022 HydrophobicContact CD2-CD2 3.53Å; W788-L1022 HydrophobicContact CD2-CG 4.47Å; W788-L1022 HydrophobicContact CE3-CD2 3.58Å; W788-L1022 HydrophobicContact CG-CD1 3.55Å; W788-L1022 HydrophobicContact CG-CD2 3.88Å; W788-L1022 HydrophobicContact CG-CG 4.37Å; W788-L1022 HydrophobicContact CZ2-CD2 4.47Å; W788-L1022 HydrophobicContact CZ3-CD2 4.09Å; L1018-L1022 HydrophobicContact CD1-CD2 4.47Å; L1018-L1022 HydrophobicContact CD1-CG 4.28Å; L1018-L1022 WeakPolarHBondContact O-CG 3.4Å; L1018-L1022 PolarHBondContact O-N 2.87Å; V1019-L1022 PolarHBondContact O-N 3.24Å; L1020-L1022 VanDerWaalsContact C-N 3.26Å; L1020-L1022 PolarHBondContact O-N 2.94Å; L1022-G1026 VanDerWaalsContact O-CA 3.3Å; L1022-G1026 WeakPolarHBondContact O-CA 3.33Å; L1022-G1026 PolarHBondContact O-N 3.23Å; L1022-L1027 HydrophobicContact CD2-CD2 4.38Å; L1022-A1030 HydrophobicContact CD2-CB 3.9Å
1023L93.2Very high93.2Very high36 Ų3619.9 Ų19.919%0.18811%0.112CC..Hα-helixtrans-68.5-36.7173.6-61.8176.1000111.8I781 V1019 L1020 D1021 L1133I781-L1023 HydrophobicContact CG1-CD1 4.18Å; I781-L1023 HydrophobicContact CG1-CD2 4.41Å; V1019-L1023 WeakPolarHBondContact O-CG 3.42Å; V1019-L1023 PolarHBondContact O-N 3.39Å; L1020-L1023 HydrophobicContact CD2-CD1 4.19Å; L1020-L1023 WeakPolarHBondContact O-CB 3.32Å; L1020-L1023 PolarHBondContact O-N 3.25Å; D1021-L1023 VanDerWaalsContact C-N 3.32Å; D1021-L1023 PolarHBondContact O-N 2.99Å; L1023-L1133 HydrophobicContact CB-CD2 4.17Å; L1023-L1133 HydrophobicContact CD1-CD2 4.39Å
1024V93Very high93.1Very high0 Ų020 Ų200%011%0.112CC..Hα-helixtrans-74.6-47.8179.71740000111.6F953 L1020 D1021 Y1060 F1067 M1069 I1129 R1132 L1133F953-V1024 HydrophobicContact CE1-CG2 4.17Å; F953-V1024 HydrophobicContact CZ-CG2 4.27Å; L1020-V1024 WeakPolarHBondContact O-CG2 3.35Å; L1020-V1024 PolarHBondContact O-N 3.24Å; L1020-V1024 VanDerWaalsContact O-N 3.07Å; D1021-V1024 PolarHBondContact O-N 3.26Å; V1024-Y1060 HydrophobicContact CG1-CE2 4.28Å; V1024-F1067 HydrophobicContact CG1-CE2 4.46Å; V1024-M1069 HydrophobicContact CG1-CE 3.8Å; V1024-M1069 HydrophobicContact CG1-SD 3.68Å; V1024-I1129 HydrophobicContact CG1-CD1 4.48Å; V1024-I1129 HydrophobicContact CG1-CG2 4.32Å; V1024-R1132 VanDerWaalsContact O-CD 3.3Å; V1024-R1132 WeakPolarHBondContact O-CD 3.49Å; V1024-R1132 PolarHBondContact O-NH1 2.82Å; V1024-L1133 HydrophobicContact CG2-CD1 4.1Å; V1024-L1133 HydrophobicContact CG2-CD2 3.88Å; V1024-L1133 HydrophobicContact CG2-CG 4.1Å
1025L93.7Very high92.9Very high5 Ų520 Ų203%0.02611%0.114CC..Hα-helixtrans-80.8-35-175.7-68.5175.7000113.4W911 D1021 A1030 M1033 I1057 Y1060 M1069W911-L1025 HydrophobicContact CZ2-CD1 4.3Å; D1021-L1025 WeakPolarHBondContact O-CB 3.46Å; D1021-L1025 WeakPolarHBondContact O-CG 3.43Å; D1021-L1025 PolarHBondContact O-N 2.88Å; L1025-A1030 HydrophobicContact CB-CB 4.24Å; L1025-A1030 HydrophobicContact CD1-CB 4.28Å; L1025-M1033 HydrophobicContact CD1-SD 4.2Å; L1025-M1033 HydrophobicContact CD2-CE 4.38Å; L1025-M1033 HydrophobicContact CD2-SD 4.24Å; L1025-I1057 HydrophobicContact CD2-CD1 4.43Å; L1025-I1057 HydrophobicContact CD2-CG2 4.15Å; L1025-Y1060 HydrophobicContact CD1-CD1 3.78Å; L1025-Y1060 HydrophobicContact CD1-CD2 4.48Å; L1025-Y1060 HydrophobicContact CD1-CE1 4.18Å; L1025-Y1060 HydrophobicContact CD1-CG 3.95Å; L1025-Y1060 HydrophobicContact CD2-CD1 4.44Å; L1025-Y1060 HydrophobicContact CD2-CD2 3.72Å; L1025-Y1060 HydrophobicContact CD2-CE2 4.36Å; L1025-Y1060 HydrophobicContact CD2-CG 3.78Å; L1025-Y1060 HydrophobicContact CG-CD1 4.37Å; L1025-Y1060 HydrophobicContact CG-CD2 4.24Å; L1025-Y1060 HydrophobicContact CG-CE2 4.49Å; L1025-Y1060 HydrophobicContact CG-CG 4.19Å; L1025-M1069 HydrophobicContact CD2-CE 4.37Å
1026G92Very high92.6Very high29 Ų2922.4 Ų22.430%0.29913%0.129SC..  trans81.2156.6-162.700000112.3L1022 E1028 A1030L1022-G1026 VanDerWaalsContact O-CA 3.3Å; L1022-G1026 WeakPolarHBondContact O-CA 3.33Å; L1022-G1026 PolarHBondContact O-N 3.23Å; G1026-E1028 PolarHBondContact O-N 3.47Å; G1026-A1030 WeakPolarHBondContact O-CB 3.34Å; G1026-A1030 PolarHBondContact O-N 3.37Å; G1026-A1030 VanDerWaalsContact O-N 3.1Å
1027L92.5Very high92.2Very high63 Ų6324.1 Ų24.133%0.3314%0.141SC..Hα-helixtrans-65.5-38.6-175.4-69.8175.7000113.1T784 H787 W788 L1022 A1031T784-L1027 HydrophobicContact CG2-CD1 4.44Å; T784-L1027 HydrophobicContact CG2-CD2 3.9Å; T784-L1027 HydrophobicContact CG2-CG 4.13Å; H787-L1027 HydrophobicContact CB-CD1 3.87Å; W788-L1027 HydrophobicContact CB-CD2 3.83Å; W788-L1027 HydrophobicContact CE3-CD2 4.21Å; L1022-L1027 HydrophobicContact CD2-CD2 4.38Å; L1027-A1031 WeakPolarHBondContact O-CB 3.41Å; L1027-A1031 PolarHBondContact O-N 3.18Å
1028E92.2Very high91.9Very high156 Ų15629.8 Ų29.873%0.72917%0.166SC*.Hα-helixtrans-65.3-57.1-178.3-174.8173.1-165.300111.2G1026 A1030 A1031 E1032G1026-E1028 PolarHBondContact O-N 3.47Å; E1028-A1030 VanDerWaalsContact C-N 3.3Å; E1028-A1030 PolarHBondContact O-N 3.12Å; E1028-A1031 WeakPolarHBondContact O-CB 3.47Å; E1028-A1031 PolarHBondContact O-N 3.09Å; E1028-E1032 PolarHBondContact O-N 3.47Å
1029R93.5Very high91.6Very high5 Ų536 Ų362%0.01920%0.196CC..Hα-helixtrans-63.8-35.8179.5-169.753.2172.1179.1-2.8112.6A1031 E1032 M1033 T1051 E1052 S1054 I1057R1029-A1031 VanDerWaalsContact C-N 3.33Å; R1029-E1032 WeakPolarHBondContact CD-OE2 3.16Å; R1029-E1032 IonicContact CZ-OE2 2.69Å; R1029-E1032 IonicContact NE-OE2 2.57Å; R1029-E1032 IonicContact NH1-OE2 3.24Å; R1029-E1032 PolarHBondContact NH1-OE2 3Å; R1029-E1032 PolarHBondContact O-N 2.97Å; R1029-M1033 HydrophobicContact CG-CE 4.14Å; R1029-M1033 WeakPolarHBondContact O-CG 3.41Å; R1029-M1033 PolarHBondContact O-N 3.36Å; R1029-T1051 PolarHBondContact NH1-O 3.22Å; R1029-E1052 PolarHBondContact NH2-O 3.32Å; R1029-S1054 PolarHBondContact NH1-OG 3.11Å; R1029-I1057 PolarHBondContact NE-O 2.91Å; R1029-I1057 PolarHBondContact NH2-O 3.09Å
1030A92.3Very high91.3Very high0 Ų037.6 Ų37.60%021%0.207CC..Hα-helixtrans-63.7-37.6173.900000112.2W788 W911 L1022 L1025 G1026 E1028 C1034W788-A1030 HydrophobicContact CE3-CB 4.37Å; W788-A1030 HydrophobicContact CH2-CB 4.13Å; W788-A1030 HydrophobicContact CZ3-CB 3.69Å; W911-A1030 HydrophobicContact CH2-CB 3.83Å; W911-A1030 WeakPolarHBondContact CH2-O 3.19Å; W911-A1030 HydrophobicContact CZ2-CB 4.33Å; W911-A1030 WeakPolarHBondContact CZ3-O 3.41Å; L1022-A1030 HydrophobicContact CD2-CB 3.9Å; L1025-A1030 HydrophobicContact CB-CB 4.24Å; L1025-A1030 HydrophobicContact CD1-CB 4.28Å; G1026-A1030 WeakPolarHBondContact O-CB 3.34Å; G1026-A1030 PolarHBondContact O-N 3.37Å; G1026-A1030 VanDerWaalsContact O-N 3.1Å; E1028-A1030 VanDerWaalsContact C-N 3.3Å; E1028-A1030 PolarHBondContact O-N 3.12Å; A1030-C1034 WeakPolarHBondContact O-CB 3.18Å; A1030-C1034 PolarHBondContact O-N 3.28Å; A1030-C1034 VanDerWaalsContact O-N 3.08Å
1031A91.6Very high91.1Very high36 Ų3638 Ų3830%0.29821%0.21SC..Hα-helixtrans-69-41.2176.800000111.8W788 L1027 E1028 R1029 C1034 G1035W788-A1031 HydrophobicContact CZ3-CB 4.42Å; L1027-A1031 WeakPolarHBondContact O-CB 3.41Å; L1027-A1031 PolarHBondContact O-N 3.18Å; E1028-A1031 WeakPolarHBondContact O-CB 3.47Å; E1028-A1031 PolarHBondContact O-N 3.09Å; R1029-A1031 VanDerWaalsContact C-N 3.33Å; A1031-C1034 PolarHBondContact O-N 3.18Å; A1031-G1035 PolarHBondContact O-N 3.23Å
1032E91.9Very high90.8Very high46 Ų4643.3 Ų43.322%0.21524%0.238CC..Hα-helixtrans-60.8-47.1175-67.8176.7145.500111.9E1028 R1029 C1034 G1035 N1041 S1054E1028-E1032 PolarHBondContact O-N 3.47Å; R1029-E1032 WeakPolarHBondContact CD-OE2 3.16Å; R1029-E1032 IonicContact CZ-OE2 2.69Å; R1029-E1032 IonicContact NE-OE2 2.57Å; R1029-E1032 IonicContact NH1-OE2 3.24Å; R1029-E1032 PolarHBondContact NH1-OE2 3Å; R1029-E1032 PolarHBondContact O-N 2.97Å; E1032-C1034 VanDerWaalsContact C-N 3.33Å; E1032-C1034 PolarHBondContact O-N 3.2Å; E1032-G1035 PolarHBondContact O-N 2.74Å; E1032-N1041 PolarHBondContact O-ND2 3.14Å; E1032-S1054 PolarHBondContact OE1-OG 3.4Å
1033M91.7Very high90.6Very high16 Ų1644.2 Ų44.28%0.07924%0.242CC..Hα-helixtrans-65.5-34.7178.5-73.8-173.9173.300112.9W911 L1025 R1029 G1035 F1046 I1057W911-M1033 HydrophobicContact CE3-CB 4.1Å; W911-M1033 HydrophobicContact CZ3-CB 3.87Å; L1025-M1033 HydrophobicContact CD1-SD 4.2Å; L1025-M1033 HydrophobicContact CD2-CE 4.38Å; L1025-M1033 HydrophobicContact CD2-SD 4.24Å; R1029-M1033 HydrophobicContact CG-CE 4.14Å; R1029-M1033 WeakPolarHBondContact O-CG 3.41Å; R1029-M1033 PolarHBondContact O-N 3.36Å; M1033-G1035 VanDerWaalsContact C-N 3.34Å; M1033-F1046 HydrophobicContact CE-CZ 4.5Å; M1033-F1046 HydrophobicContact CG-CE1 4.02Å; M1033-F1046 HydrophobicContact CG-CZ 4.06Å; M1033-I1057 HydrophobicContact CE-CG2 3.66Å
1034C90.6Very high90.4Very high5 Ų544.3 Ų44.33%0.03424%0.242CC..Hα-helixtrans-80.9-17.3179.8-1620000112.8W788 R792 W911 A1030 A1031 E1032 P1040 N1041W788-C1034 HydrophobicContact CH2-CB 4.01Å; R792-C1034 PolarHBondContact NH2-SG 2.84Å; W911-C1034 HydrophobicContact CH2-CB 4.22Å; W911-C1034 HydrophobicContact CZ3-CB 3.79Å; A1030-C1034 WeakPolarHBondContact O-CB 3.18Å; A1030-C1034 PolarHBondContact O-N 3.28Å; A1030-C1034 VanDerWaalsContact O-N 3.08Å; A1031-C1034 PolarHBondContact O-N 3.18Å; E1032-C1034 VanDerWaalsContact C-N 3.33Å; E1032-C1034 PolarHBondContact O-N 3.2Å; C1034-P1040 CarbonylContact O-C 3.52Å; C1034-P1040 VanDerWaalsContact O-CA 3.26Å; C1034-P1040 WeakPolarHBondContact O-CA 3.46Å; C1034-N1041 PolarHBondContact O-N 2.83Å
1035G89.3Confident90.2Very high5 Ų549.4 Ų49.45%0.05227%0.266CS..  trans69.4175.7-169.800000113.1R792 A1031 E1032 M1033 N1041R792-G1035 PolarHBondContact NH1-O 2.91Å; A1031-G1035 PolarHBondContact O-N 3.23Å; E1032-G1035 PolarHBondContact O-N 2.74Å; M1033-G1035 VanDerWaalsContact C-N 3.34Å; G1035-N1041 WeakPolarHBondContact CA-OD1 3.47Å; G1035-N1041 PolarHBondContact N-ND2 3.46Å
1036P88.9Confident90Very high51 Ų5151 Ų5133%0.33127%0.272SS..  trans-62.8150.2176.926.3-33000111.9Q1038 M1039 P1040P1036-Q1038 PolarHBondContact O-N 3.36Å; P1036-M1039 WeakPolarHBondContact CD-O 3.27Å; P1036-M1039 HydrophobicContact CG-CB 4.38Å; P1036-M1039 CarbonylContact O-C 3.57Å; P1036-M1039 PolarHBondContact O-N 2.91Å; P1036-M1039 VanDerWaalsContact O-N 3.13Å; P1036-P1040 WeakPolarHBondContact O-CA 3.33Å; P1036-P1040 VanDerWaalsContact O-N 3.09Å
1037P86.9Confident89.8Confident38 Ų3854.3 Ų54.325%0.24728%0.28CS..SBendtrans-63.3-27.4-176.522.7-31.6000114
1038Q86.7Confident89.6Confident122 Ų12255.2 Ų55.257%0.5729%0.286SS*.SBendtrans-69.3-38.2176.1-61.880.60.300111.7P1036P1036-Q1038 PolarHBondContact O-N 3.36Å
1039M86.9Confident89.4Confident132 Ų13252 Ų5265%0.6528%0.277SS*.SBendtrans-136.876.3-176.8-170.2-177.8-6400109P1036P1036-M1039 WeakPolarHBondContact CD-O 3.27Å; P1036-M1039 HydrophobicContact CG-CB 4.38Å; P1036-M1039 CarbonylContact O-C 3.57Å; P1036-M1039 PolarHBondContact O-N 2.91Å; P1036-M1039 VanDerWaalsContact O-N 3.13Å
1040P87.5Confident89.3Confident40 Ų4054.8 Ų54.826%0.2630%0.3SS..  trans-66.6146.8-179.729.4-35.4000110.3C1034 P1036C1034-P1040 CarbonylContact O-C 3.52Å; C1034-P1040 VanDerWaalsContact O-CA 3.26Å; C1034-P1040 WeakPolarHBondContact O-CA 3.46Å; P1036-P1040 WeakPolarHBondContact O-CA 3.33Å; P1036-P1040 VanDerWaalsContact O-N 3.09Å
1041N90.4Very high89.3Confident11 Ų1156.4 Ų56.46%0.05931%0.311CS..  trans-72.1154.7175.1-59.7-9.1000110.3E1032 C1034 G1035 Q1045 Q1047E1032-N1041 PolarHBondContact O-ND2 3.14Å; C1034-N1041 PolarHBondContact O-N 2.83Å; G1035-N1041 WeakPolarHBondContact CA-OD1 3.47Å; G1035-N1041 PolarHBondContact N-ND2 3.46Å; N1041-Q1045 HydrophobicContact CB-CB 4.39Å; N1041-Q1045 WeakPolarHBondContact CB-O 3.28Å; N1041-Q1045 PolarHBondContact ND2-O 3.15Å; N1041-Q1047 PolarHBondContact OD1-NE2 3.33Å
1042D87.5Confident89.2Confident110 Ų11055.5 Ų55.559%0.58830%0.3SS*.  trans-78.8179.6164.7-76.1-21000111L1044 Q1045D1042-L1044 PolarHBondContact O-N 3.34Å; D1042-Q1045 PolarHBondContact O-N 3.12Å
1043F90.5Very high89.1Confident23 Ų2357.6 Ų57.610%0.10131%0.312CS..THydrogen-bonded Turntrans-62.5125.9177.9-179.8-121.9000111.7P910 L923 K926 W927 Q1045 C1061P910-F1043 HydrophobicContact CB-CB 4.42Å; L923-F1043 HydrophobicContact CD1-CD1 4.25Å; L923-F1043 HydrophobicContact CD1-CE1 3.48Å; L923-F1043 VanDerWaalsContact CD1-CE1 3.48Å; L923-F1043 HydrophobicContact CD1-CZ 3.65Å; K926-F1043 HydrophobicContact CB-CD1 4.29Å; K926-F1043 HydrophobicContact CB-CE1 4.21Å; K926-F1043 HydrophobicContact CD-CD1 4.43Å; W927-F1043 AromaticContact CE3-CZ 3.88Å; W927-F1043 HydrophobicContact CE3-CZ 3.88Å; W927-F1043 HydrophobicContact CZ3-CZ 4.42Å; F1043-Q1045 VanDerWaalsContact C-N 3.35Å; F1043-C1061 HydrophobicContact CE2-CB 4.07Å; F1043-C1061 HydrophobicContact CZ-CB 4.14Å
1044L89.8Confident89Confident38 Ų3860.3 Ų60.320%0.19933%0.332CS..THydrogen-bonded Turntrans63.832.7179.1-45.8174.4000114.2K926 W927 D1042 L1059K926-L1044 VanDerWaalsContact O-CD1 3.3Å; K926-L1044 WeakPolarHBondContact O-CD1 3.46Å; W927-L1044 HydrophobicContact CE3-CD1 4.13Å; W927-L1044 HydrophobicContact CE3-CD2 3.86Å; W927-L1044 HydrophobicContact CZ3-CD2 3.82Å; D1042-L1044 PolarHBondContact O-N 3.34Å; L1044-L1059 HydrophobicContact CB-CD2 4.23Å; L1044-L1059 HydrophobicContact CD2-CB 3.96Å; L1044-L1059 HydrophobicContact CD2-CD1 4.15Å; L1044-L1059 HydrophobicContact CD2-CD2 3.7Å; L1044-L1059 HydrophobicContact CD2-CG 4.13Å; L1044-L1059 HydrophobicContact CG-CD2 4.49Å
1045Q88Confident89.1Confident107 Ų10762.8 Ų62.850%0.534%0.344SS..  trans-118.6143.2171.5-68.6-177.8-10.500110.7N1041 D1042 F1043N1041-Q1045 HydrophobicContact CB-CB 4.39Å; N1041-Q1045 WeakPolarHBondContact CB-O 3.28Å; N1041-Q1045 PolarHBondContact ND2-O 3.15Å; D1042-Q1045 PolarHBondContact O-N 3.12Å; F1043-Q1045 VanDerWaalsContact C-N 3.35Å
1046F89.6Confident89.2Confident37 Ų3764.3 Ų64.316%0.16235%0.353CS..  trans-111.3167.8169.8-73.6-85.7000109.5M1033 E1052 R1058M1033-F1046 HydrophobicContact CE-CZ 4.5Å; M1033-F1046 HydrophobicContact CG-CE1 4.02Å; M1033-F1046 HydrophobicContact CG-CZ 4.06Å; F1046-E1052 HydrophobicContact CB-CB 4.49Å; F1046-E1052 HydrophobicContact CD2-CB 4.05Å; F1046-E1052 HydrophobicContact CD2-CG 3.96Å; F1046-E1052 HydrophobicContact CE2-CG 4.13Å; F1046-E1052 HydrophobicContact CG-CB 4.19Å; F1046-R1058 VanDerWaalsContact CE2-O 3.31Å; F1046-R1058 WeakPolarHBondContact CE2-O 3.25Å; F1046-R1058 WeakPolarHBondContact CZ-O 3.33Å
1047Q87.6Confident89.4Confident100 Ų10062 Ų6247%0.46734%0.337SS..SBendtrans-70.1-39.9174.6-73.6-72.5-45.200111N1041N1041-Q1047 PolarHBondContact OD1-NE2 3.33Å
1048D88.6Confident89.7Confident82 Ų8261.2 Ų61.244%0.43933%0.329SS..SBendtrans-151.2173.4178.760.316.6000111.2A1050 T1051 E1052D1048-A1050 VanDerWaalsContact C-N 3.3Å; D1048-A1050 PolarHBondContact OD1-N 2.66Å; D1048-T1051 PolarHBondContact N-OG1 3Å; D1048-T1051 PolarHBondContact O-OG1 3.18Å; D1048-T1051 WeakPolarHBondContact OD1-CB 3.32Å; D1048-T1051 WeakPolarHBondContact OD1-CG2 3.46Å; D1048-T1051 PolarHBondContact OD1-N 2.94Å; D1048-T1051 PolarHBondContact OD1-OG1 3.4Å; D1048-E1052 PolarHBondContact O-N 2.92Å
1049T88.4Confident90.1Very high88 Ų8855.5 Ų55.554%0.5430%0.303SS..Hα-helixtrans-71.4-23.7176.445.50000113E1052 I1053T1049-E1052 WeakPolarHBondContact O-CB 3.27Å; T1049-E1052 PolarHBondContact O-N 3.12Å; T1049-I1053 VanDerWaalsContact O-CG1 3.32Å; T1049-I1053 WeakPolarHBondContact O-CG1 3.47Å; T1049-I1053 PolarHBondContact O-N 3.09Å; T1049-I1053 VanDerWaalsContact O-N 3.12Å
1050A90.9Very high90.4Very high63 Ų6349.4 Ų49.452%0.52127%0.273SS..Hα-helixtrans-68.8-44.8178.600000111.6D1048 E1052 I1053 S1054D1048-A1050 VanDerWaalsContact C-N 3.3Å; D1048-A1050 PolarHBondContact OD1-N 2.66Å; A1050-E1052 VanDerWaalsContact C-N 3.28Å; A1050-E1052 PolarHBondContact O-N 3.18Å; A1050-I1053 PolarHBondContact O-N 2.96Å; A1050-S1054 PolarHBondContact O-N 3.25Å
1051T91.4Very high90.8Very high35 Ų3547.5 Ų47.522%0.21526%0.26CS..Hα-helixtrans-65.8-29.9172.352.70000112.1R1029 D1048 S1054R1029-T1051 PolarHBondContact NH1-O 3.22Å; D1048-T1051 PolarHBondContact N-OG1 3Å; D1048-T1051 PolarHBondContact O-OG1 3.18Å; D1048-T1051 WeakPolarHBondContact OD1-CB 3.32Å; D1048-T1051 WeakPolarHBondContact OD1-CG2 3.46Å; D1048-T1051 PolarHBondContact OD1-N 2.94Å; D1048-T1051 PolarHBondContact OD1-OG1 3.4Å; T1051-S1054 PolarHBondContact O-OG 3.44Å
1052E89.2Confident91Very high17 Ų1747 Ų478%0.07926%0.257CS..Hα-helixtrans-62.9-46.4172-170.3-163.6133.600111.2L934 K935 R1029 F1046 D1048 T1049 A1050 R1058L934-E1052 WeakPolarHBondContact CA-OE1 3.28Å; L934-E1052 WeakPolarHBondContact CB-OE1 3.28Å; L934-E1052 VanDerWaalsContact CD2-CD 3.46Å; L934-E1052 HydrophobicContact CD2-CG 3.86Å; L934-E1052 WeakPolarHBondContact CD2-OE1 3.33Å; K935-E1052 PolarHBondContact N-OE1 3.3Å; R1029-E1052 PolarHBondContact NH2-O 3.32Å; F1046-E1052 HydrophobicContact CB-CB 4.49Å; F1046-E1052 HydrophobicContact CD2-CB 4.05Å; F1046-E1052 HydrophobicContact CD2-CG 3.96Å; F1046-E1052 HydrophobicContact CE2-CG 4.13Å; F1046-E1052 HydrophobicContact CG-CB 4.19Å; D1048-E1052 PolarHBondContact O-N 2.92Å; T1049-E1052 WeakPolarHBondContact O-CB 3.27Å; T1049-E1052 PolarHBondContact O-N 3.12Å; A1050-E1052 VanDerWaalsContact C-N 3.28Å; A1050-E1052 PolarHBondContact O-N 3.18Å; E1052-R1058 WeakPolarHBondContact O-CD 3.27Å; E1052-R1058 PolarHBondContact O-NE 3.36Å; E1052-R1058 PolarHBondContact O-NH1 3.25Å; E1052-R1058 IonicContact OE1-NH1 3.62Å; E1052-R1058 PolarHBondContact OE1-NH1 3.47Å
1053I90.8Very high91.3Very high89 Ų8942.5 Ų42.546%0.45623%0.232SC..Hα-helixtrans-80.9-21.3-172.4-63165.2000113.4K935 T1049 A1050 H1055K935-I1053 HydrophobicContact CG-CD1 4.38Å; T1049-I1053 VanDerWaalsContact O-CG1 3.32Å; T1049-I1053 WeakPolarHBondContact O-CG1 3.47Å; T1049-I1053 PolarHBondContact O-N 3.09Å; T1049-I1053 VanDerWaalsContact O-N 3.12Å; A1050-I1053 PolarHBondContact O-N 2.96Å; I1053-H1055 PolarHBondContact O-N 2.83Å
1054S90.3Very high91.3Very high73 Ų7341.7 Ų41.751%0.5123%0.229SC..THydrogen-bonded Turntrans-55.1-26-175.366.10000115.3R1029 E1032 A1050 T1051R1029-S1054 PolarHBondContact NH1-OG 3.11Å; E1032-S1054 PolarHBondContact OE1-OG 3.4Å; A1050-S1054 PolarHBondContact O-N 3.25Å; T1051-S1054 PolarHBondContact O-OG 3.44Å
1055H91Very high91.4Very high58 Ų5841.4 Ų41.427%0.26923%0.228SC..SBendtrans-137.9145-173.2-168.7-84000112.1I1053 I1057 R1058I1053-H1055 PolarHBondContact O-N 2.83Å; H1055-I1057 VanDerWaalsContact CE1-CD1 3.5Å; H1055-I1057 WeakPolarHBondContact CE1-CD1 3.4Å; H1055-I1057 VanDerWaalsContact CE1-CG1 3.5Å; H1055-I1057 WeakPolarHBondContact CE1-CG1 3.47Å; H1055-I1057 WeakPolarHBondContact ND1-CB 3.41Å; H1055-I1057 PolarHBondContact ND1-N 2.99Å; H1055-I1057 PolarHBondContact O-N 3.11Å; H1055-R1058 WeakPolarHBondContact O-CD 3.4Å; H1055-R1058 PolarHBondContact O-NE 2.95Å
1056P92Very high91.6Very high37 Ų3740.2 Ų40.224%0.2422%0.219CC..SBendtrans-59-40.5179-27.634.9000114.1R1058 F1071 R1072 F1073P1056-R1058 PolarHBondContact O-N 3.25Å; P1056-R1058 VanDerWaalsContact O-N 3.14Å; P1056-F1071 CarbonylContact O-C 3.57Å; P1056-F1071 WeakPolarHBondContact O-CA 3.23Å; P1056-R1072 WeakPolarHBondContact CA-O 3.33Å; P1056-R1072 PolarHBondContact O-N 3.34Å; P1056-F1073 HydrophobicContact CB-CD1 3.94Å; P1056-F1073 HydrophobicContact CB-CE1 3.72Å; P1056-F1073 HydrophobicContact CB-CZ 4.41Å; P1056-F1073 HydrophobicContact CG-CD1 4.39Å; P1056-F1073 HydrophobicContact CG-CE1 4.27Å
1057I93.9Very high91.8Very high1 Ų138.4 Ų38.41%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-66.6108.1173.9-59168.2000109.3L1025 R1029 M1033 H1055 M1069 F1071L1025-I1057 HydrophobicContact CD2-CD1 4.43Å; L1025-I1057 HydrophobicContact CD2-CG2 4.15Å; R1029-I1057 PolarHBondContact NE-O 2.91Å; R1029-I1057 PolarHBondContact NH2-O 3.09Å; M1033-I1057 HydrophobicContact CE-CG2 3.66Å; H1055-I1057 VanDerWaalsContact CE1-CD1 3.5Å; H1055-I1057 WeakPolarHBondContact CE1-CD1 3.4Å; H1055-I1057 VanDerWaalsContact CE1-CG1 3.5Å; H1055-I1057 WeakPolarHBondContact CE1-CG1 3.47Å; H1055-I1057 WeakPolarHBondContact ND1-CB 3.41Å; H1055-I1057 PolarHBondContact ND1-N 2.99Å; H1055-I1057 PolarHBondContact O-N 3.11Å; I1057-M1069 HydrophobicContact CD1-CE 3.58Å; I1057-M1069 HydrophobicContact CG1-CE 3.96Å; I1057-M1069 HydrophobicContact CG2-CE 4.09Å; I1057-F1071 HydrophobicContact CB-CD1 4.48Å; I1057-F1071 HydrophobicContact CB-CE1 4.48Å; I1057-F1071 HydrophobicContact CD1-CE1 4.15Å; I1057-F1071 HydrophobicContact CG1-CD1 3.69Å; I1057-F1071 HydrophobicContact CG1-CE1 3.33Å; I1057-F1071 HydrophobicContact CG1-CZ 4.13Å
1058R93.1Very high92.2Very high22 Ų2233.8 Ų33.88%0.08319%0.189CC..EExtended strand (participates in β ladder)trans-93.1-45.8178.1-54.5-57.2-177.2102.9-2.1112.8L934 F1046 E1052 H1055 P1056 F1070 R1072L934-R1058 HydrophobicContact CD1-CB 3.85Å; L934-R1058 HydrophobicContact CD1-CG 4.34Å; L934-R1058 HydrophobicContact CD2-CB 4.28Å; F1046-R1058 VanDerWaalsContact CE2-O 3.31Å; F1046-R1058 WeakPolarHBondContact CE2-O 3.25Å; F1046-R1058 WeakPolarHBondContact CZ-O 3.33Å; E1052-R1058 WeakPolarHBondContact O-CD 3.27Å; E1052-R1058 PolarHBondContact O-NE 3.36Å; E1052-R1058 PolarHBondContact O-NH1 3.25Å; E1052-R1058 IonicContact OE1-NH1 3.62Å; E1052-R1058 PolarHBondContact OE1-NH1 3.47Å; H1055-R1058 WeakPolarHBondContact O-CD 3.4Å; H1055-R1058 PolarHBondContact O-NE 2.95Å; P1056-R1058 PolarHBondContact O-N 3.25Å; P1056-R1058 VanDerWaalsContact O-N 3.14Å; R1058-F1070 HydrophobicContact CB-CD1 4.04Å; R1058-F1070 HydrophobicContact CG-CD1 4.45Å; R1058-F1070 PolarHBondContact N-O 3.25Å; R1058-R1072 HydrophobicContact CG-CB 3.86Å
1059L94.4Very high92.5Very high3 Ų329.9 Ų29.92%0.01617%0.168CC..EExtended strand (participates in β ladder)trans-127144.9-177.1-51.7177.2000111.3W927 I931 L934 L1044 M1069 F1070W927-L1059 HydrophobicContact CH2-CB 3.66Å; W927-L1059 HydrophobicContact CZ2-CB 4.42Å; W927-L1059 HydrophobicContact CZ3-CB 3.78Å; I931-L1059 HydrophobicContact CB-CD1 4.46Å; I931-L1059 HydrophobicContact CG1-CD1 3.64Å; L934-L1059 HydrophobicContact CD1-CD1 4.07Å; L934-L1059 HydrophobicContact CD1-CD2 4.44Å; L934-L1059 HydrophobicContact CD1-CG 4.07Å; L934-L1059 HydrophobicContact CD2-CD2 3.99Å; L934-L1059 HydrophobicContact CD2-CG 4.5Å; L1044-L1059 HydrophobicContact CB-CD2 4.23Å; L1044-L1059 HydrophobicContact CD2-CB 3.96Å; L1044-L1059 HydrophobicContact CD2-CD1 4.15Å; L1044-L1059 HydrophobicContact CD2-CD2 3.7Å; L1044-L1059 HydrophobicContact CD2-CG 4.13Å; L1044-L1059 HydrophobicContact CG-CD2 4.49Å; L1059-M1069 WeakPolarHBondContact O-CA 3.46Å; L1059-F1070 HydrophobicContact CB-CB 3.94Å; L1059-F1070 HydrophobicContact CD1-CB 4.47Å; L1059-F1070 HydrophobicContact CG-CB 4.34Å; L1059-F1070 HydrophobicContact CG-CD1 4.49Å; L1059-F1070 PolarHBondContact N-O 3.34Å; L1059-F1070 PolarHBondContact O-N 2.98Å
1060Y94.5Very high92.9Very high4 Ų425.7 Ų25.72%0.01614%0.143CC..EExtended strand (participates in β ladder)trans-137.3135.4174.7-173.8-101.6000110.7W911 D1021 V1024 L1025 R1062 F1067 W1068 M1069W911-Y1060 HydrophobicContact CB-CD1 3.95Å; W911-Y1060 WeakPolarHBondContact CB-O 3.42Å; W911-Y1060 AromaticContact CD1-CD1 3.67Å; W911-Y1060 AromaticContact CD1-CE1 3.69Å; W911-Y1060 HydrophobicContact CD2-CD1 4.41Å; W911-Y1060 AromaticContact CG-CD1 3.77Å; W911-Y1060 HydrophobicContact CG-CD1 3.77Å; W911-Y1060 HydrophobicContact CG-CE1 4.26Å; D1021-Y1060 HydrophobicContact CB-CE1 4Å; D1021-Y1060 WeakPolarHBondContact OD1-CE1 3.49Å; D1021-Y1060 PolarHBondContact OD1-OH 3.42Å; V1024-Y1060 HydrophobicContact CG1-CE2 4.28Å; L1025-Y1060 HydrophobicContact CD1-CD1 3.78Å; L1025-Y1060 HydrophobicContact CD1-CD2 4.48Å; L1025-Y1060 HydrophobicContact CD1-CE1 4.18Å; L1025-Y1060 HydrophobicContact CD1-CG 3.95Å; L1025-Y1060 HydrophobicContact CD2-CD1 4.44Å; L1025-Y1060 HydrophobicContact CD2-CD2 3.72Å; L1025-Y1060 HydrophobicContact CD2-CE2 4.36Å; L1025-Y1060 HydrophobicContact CD2-CG 3.78Å; L1025-Y1060 HydrophobicContact CG-CD1 4.37Å; L1025-Y1060 HydrophobicContact CG-CD2 4.24Å; L1025-Y1060 HydrophobicContact CG-CE2 4.49Å; L1025-Y1060 HydrophobicContact CG-CG 4.19Å; Y1060-R1062 HydrophobicContact CE1-CB 4.18Å; Y1060-F1067 HydrophobicContact CE2-CB 4.29Å; Y1060-F1067 AromaticContact CE2-CD2 3.75Å; Y1060-F1067 HydrophobicContact CE2-CD2 3.75Å; Y1060-F1067 HydrophobicContact CE2-CE2 4.42Å; Y1060-F1067 HydrophobicContact CE2-CG 4.3Å; Y1060-W1068 WeakPolarHBondContact CA-O 3.41Å; Y1060-M1069 HydrophobicContact CD2-CE 4.3Å; Y1060-M1069 HydrophobicContact CD2-CG 3.8Å; Y1060-M1069 HydrophobicContact CD2-SD 4.45Å; Y1060-M1069 HydrophobicContact CE2-CG 3.97Å; Y1060-M1069 HydrophobicContact CE2-SD 4.35Å
1061C94.6Very high93.1Very high0 Ų023 Ų230%012%0.119CC..EExtended strand (participates in β ladder)trans-143.4135171.7-179.90000109.9W927 F1043 F1067 W1068 M1161W927-C1061 HydrophobicContact CE3-CB 3.88Å; W927-C1061 HydrophobicContact CH2-CB 4.14Å; W927-C1061 HydrophobicContact CZ3-CB 3.47Å; W927-C1061 VanDerWaalsContact CZ3-CB 3.47Å; F1043-C1061 HydrophobicContact CE2-CB 4.07Å; F1043-C1061 HydrophobicContact CZ-CB 4.14Å; C1061-F1067 CarbonylContact O-C 3.49Å; C1061-F1067 WeakPolarHBondContact O-CA 3.25Å; C1061-F1067 WeakPolarHBondContact O-CB 3.33Å; C1061-W1068 HydrophobicContact CB-CE3 4.27Å; C1061-W1068 PolarHBondContact N-O 3.5Å; C1061-W1068 PolarHBondContact O-N 3.28Å; C1061-M1161 HydrophobicContact CB-CE 4.21Å; C1061-M1161 VanDerWaalsContact SG-CE 3.52Å
1062R94.9Very high93.2Very high0 Ų022.5 Ų22.50%011%0.113CC..EExtended strand (participates in β ladder)trans-119.6126.7171.3-179.9170.55974.92.9110.9W911 I912 K913 Q1014 G1017 L1018 D1021 Y1060 V1064 R1066 F1067W911-R1062 PolarHBondContact O-N 2.97Å; I912-R1062 VanDerWaalsContact CD1-NH2 3.32Å; K913-R1062 CarbonylContact C-O 3.59Å; K913-R1062 WeakPolarHBondContact CA-O 3.26Å; K913-R1062 WeakPolarHBondContact CB-O 3.38Å; K913-R1062 PolarHBondContact N-O 3.5Å; Q1014-R1062 PolarHBondContact O-NH2 2.97Å; G1017-R1062 VanDerWaalsContact C-CZ 3.48Å; G1017-R1062 PolarHBondContact O-NE 3.14Å; L1018-R1062 VanDerWaalsContact N-NH2 3.18Å; D1021-R1062 WeakPolarHBondContact OD1-CD 3.45Å; D1021-R1062 IonicContact OD1-CZ 3.78Å; D1021-R1062 IonicContact OD1-NE 3.7Å; D1021-R1062 PolarHBondContact OD1-NE 2.94Å; D1021-R1062 IonicContact OD2-CZ 2.72Å; D1021-R1062 VanDerWaalsContact OD2-CZ 3.27Å; D1021-R1062 IonicContact OD2-NE 3.03Å; D1021-R1062 PolarHBondContact OD2-NE 3.32Å; D1021-R1062 IonicContact OD2-NH2 2.61Å; D1021-R1062 PolarHBondContact OD2-NH2 2.88Å; Y1060-R1062 HydrophobicContact CE1-CB 4.18Å; R1062-V1064 PolarHBondContact NH1-O 2.98Å; R1062-R1066 CarbonylContact C-O 3.5Å; R1062-R1066 WeakPolarHBondContact CA-O 3.24Å; R1062-R1066 WeakPolarHBondContact CG-O 3.4Å; R1062-F1067 HydrophobicContact CB-CB 4.05Å; R1062-F1067 HydrophobicContact CG-CB 4.21Å
1063Y93.2Very high93.5Very high16 Ų1622.3 Ų22.36%0.06311%0.112CC..EExtended strand (participates in β ladder)trans-10997.6171.4-162.9-84.3000110.4K913 P914 L923 D1065 R1066 W1068 E1415 W1428K913-Y1063 HydrophobicContact CB-CD2 3.96Å; K913-Y1063 VanDerWaalsContact O-CA 3.29Å; K913-Y1063 WeakPolarHBondContact O-CA 3.28Å; P914-Y1063 HydrophobicContact CB-CD2 4.45Å; P914-Y1063 HydrophobicContact CB-CE2 3.69Å; P914-Y1063 HydrophobicContact CG-CE2 4.23Å; L923-Y1063 HydrophobicContact CD2-CD2 3.94Å; L923-Y1063 HydrophobicContact CD2-CE2 4.34Å; Y1063-D1065 PolarHBondContact O-N 3.13Å; Y1063-R1066 PolarHBondContact N-O 3.12Å; Y1063-R1066 PolarHBondContact O-N 3.26Å; Y1063-W1068 VanDerWaalsContact CB-CZ3 3.47Å; Y1063-E1415 WeakPolarHBondContact CE1-OE1 3.43Å; Y1063-E1415 WeakPolarHBondContact CE1-OE2 3.49Å; Y1063-W1428 VanDerWaalsContact OH-CZ3 3.27Å; Y1063-W1428 WeakPolarHBondContact OH-CZ3 3.32Å
1064V91.8Very high93.6Very high6 Ų620.1 Ų20.14%0.03611%0.105CC..THydrogen-bonded Turntrans56.1-90.7-174.3-168.40000112.1K913 P914 Y957 T1013 R1062 E1415 F1416K913-V1064 PolarHBondContact O-N 3.46Å; P914-V1064 HydrophobicContact CG-CG2 4.47Å; Y957-V1064 WeakPolarHBondContact OH-CG1 3.5Å; T1013-V1064 HydrophobicContact CG2-CG1 4.13Å; R1062-V1064 PolarHBondContact NH1-O 2.98Å; V1064-E1415 WeakPolarHBondContact CG2-OE2 3.48Å; V1064-F1416 HydrophobicContact CG1-CE2 3.8Å; V1064-F1416 HydrophobicContact CG1-CZ 4.01Å; V1064-F1416 HydrophobicContact CG2-CE2 4.43Å
1065D91.5Very high93.6Very high31 Ų3118 Ų1817%0.1669%0.092CC..THydrogen-bonded Turntrans-112.4-10.9-179.462.6-10000114K952 F953 Y1063K952-D1065 CarbonylContact C-O 3.5Å; K952-D1065 WeakPolarHBondContact CA-O 3.08Å; K952-D1065 WeakPolarHBondContact CE-OD2 3.41Å; K952-D1065 HydrophobicContact CG-CB 4.38Å; K952-D1065 WeakPolarHBondContact CG-O 3.48Å; F953-D1065 PolarHBondContact N-O 3.26Å; Y1063-D1065 PolarHBondContact O-N 3.13Å
1066R92.7Very high93.6Very high82 Ų8222 Ų2231%0.30911%0.111SC..EExtended strand (participates in β ladder)trans-96.2144.4174.8-62.2-172.2-174.2-168.31.4110.3T951 K952 R1062 Y1063 W1068 E1209T951-R1066 CarbonylContact O-C 3.53Å; T951-R1066 WeakPolarHBondContact O-CA 3.24Å; K952-R1066 HydrophobicContact CB-CG 4.28Å; K952-R1066 HydrophobicContact CG-CG 4.16Å; R1062-R1066 CarbonylContact C-O 3.5Å; R1062-R1066 WeakPolarHBondContact CA-O 3.24Å; R1062-R1066 WeakPolarHBondContact CG-O 3.4Å; Y1063-R1066 PolarHBondContact N-O 3.12Å; Y1063-R1066 PolarHBondContact O-N 3.26Å; R1066-W1068 HydrophobicContact CB-CH2 4.03Å; R1066-W1068 HydrophobicContact CB-CZ2 4.36Å; R1066-E1209 IonicContact NH2-OE2 3.68Å; R1066-E1209 PolarHBondContact NH2-OE2 3.36Å
1067F93.7Very high93.6Very high0 Ų023.8 Ų23.80%012%0.118CC..EExtended strand (participates in β ladder)trans-141.1155.6175.168.4-89.4000112.4T951 F953 V1024 Y1060 C1061 R1062 M1069 I1129 I1140T951-F1067 HydrophobicContact CG2-CD1 3.88Å; T951-F1067 HydrophobicContact CG2-CD2 4Å; T951-F1067 HydrophobicContact CG2-CE1 3.25Å; T951-F1067 HydrophobicContact CG2-CE2 3.4Å; T951-F1067 HydrophobicContact CG2-CG 4.23Å; T951-F1067 HydrophobicContact CG2-CZ 3Å; T951-F1067 PolarHBondContact N-O 2.86Å; T951-F1067 PolarHBondContact O-N 3.29Å; F953-F1067 HydrophobicContact CD1-CD1 4.11Å; F953-F1067 AromaticContact CD1-CE1 3.55Å; F953-F1067 HydrophobicContact CD1-CE1 3.55Å; F953-F1067 HydrophobicContact CD2-CD1 4.24Å; F953-F1067 HydrophobicContact CD2-CE1 4.49Å; F953-F1067 AromaticContact CE1-CD1 3.76Å; F953-F1067 HydrophobicContact CE1-CD1 3.76Å; F953-F1067 AromaticContact CE1-CE1 3.19Å; F953-F1067 HydrophobicContact CE1-CE1 3.19Å; F953-F1067 AromaticContact CE1-CZ 3.91Å; F953-F1067 HydrophobicContact CE1-CZ 3.91Å; F953-F1067 AromaticContact CE2-CD1 3.94Å; F953-F1067 HydrophobicContact CE2-CD1 3.94Å; F953-F1067 HydrophobicContact CE2-CE1 4.23Å; F953-F1067 HydrophobicContact CG-CD1 4.32Å; F953-F1067 HydrophobicContact CG-CE1 4.18Å; F953-F1067 AromaticContact CZ-CD1 3.66Å; F953-F1067 HydrophobicContact CZ-CD1 3.66Å; F953-F1067 AromaticContact CZ-CE1 3.58Å; F953-F1067 HydrophobicContact CZ-CE1 3.58Å; F953-F1067 HydrophobicContact CZ-CG 4.48Å; F953-F1067 HydrophobicContact CZ-CZ 4.34Å; V1024-F1067 HydrophobicContact CG1-CE2 4.46Å; Y1060-F1067 HydrophobicContact CE2-CB 4.29Å; Y1060-F1067 AromaticContact CE2-CD2 3.75Å; Y1060-F1067 HydrophobicContact CE2-CD2 3.75Å; Y1060-F1067 HydrophobicContact CE2-CE2 4.42Å; Y1060-F1067 HydrophobicContact CE2-CG 4.3Å; C1061-F1067 CarbonylContact O-C 3.49Å; C1061-F1067 WeakPolarHBondContact O-CA 3.25Å; C1061-F1067 WeakPolarHBondContact O-CB 3.33Å; R1062-F1067 HydrophobicContact CB-CB 4.05Å; R1062-F1067 HydrophobicContact CG-CB 4.21Å; F1067-M1069 HydrophobicContact CD2-CG 3.8Å; F1067-M1069 HydrophobicContact CD2-SD 4.22Å; F1067-M1069 HydrophobicContact CE2-CG 3.87Å; F1067-M1069 HydrophobicContact CE2-SD 3.72Å; F1067-I1129 HydrophobicContact CE2-CG2 4.4Å; F1067-I1129 HydrophobicContact CZ-CG2 4.28Å; F1067-I1140 HydrophobicContact CE1-CD1 4.04Å; F1067-I1140 HydrophobicContact CZ-CD1 3.67Å
1068W95.7Very high93.5Very high3 Ų323.7 Ų23.71%0.01112%0.118CC..EExtended strand (participates in β ladder)trans-125.2132.9179.4-58.9-92.6000109.6W927 L949 Y1060 C1061 Y1063 R1066 A1160 M1161W927-W1068 HydrophobicContact CH2-CB 3.98Å; W927-W1068 HydrophobicContact CZ2-CB 3.68Å; L949-W1068 VanDerWaalsContact O-CA 3.29Å; L949-W1068 WeakPolarHBondContact O-CA 3.12Å; Y1060-W1068 WeakPolarHBondContact CA-O 3.41Å; C1061-W1068 HydrophobicContact CB-CE3 4.27Å; C1061-W1068 PolarHBondContact N-O 3.5Å; C1061-W1068 PolarHBondContact O-N 3.28Å; Y1063-W1068 VanDerWaalsContact CB-CZ3 3.47Å; R1066-W1068 HydrophobicContact CB-CH2 4.03Å; R1066-W1068 HydrophobicContact CB-CZ2 4.36Å; W1068-A1160 PolarHBondContact NE1-O 3.37Å; W1068-M1161 HydrophobicContact CD2-CE 4.21Å; W1068-M1161 HydrophobicContact CD2-CG 4.14Å; W1068-M1161 HydrophobicContact CE3-CE 3.75Å; W1068-M1161 HydrophobicContact CE3-CG 4.35Å; W1068-M1161 HydrophobicContact CH2-CE 4.46Å; W1068-M1161 HydrophobicContact CH2-CG 3.91Å; W1068-M1161 HydrophobicContact CZ2-CB 4.08Å; W1068-M1161 HydrophobicContact CZ2-CG 3.67Å; W1068-M1161 HydrophobicContact CZ3-CE 3.89Å; W1068-M1161 HydrophobicContact CZ3-CG 4.24Å
1069M94.7Very high93.4Very high0 Ų029.4 Ų29.40%014%0.139CC..EExtended strand (participates in β ladder)trans-123.5135.9175.3-50.7-172.365.100109.2L948 L949 V1024 L1025 I1057 L1059 Y1060 F1067 F1071 I1129L948-M1069 WeakPolarHBondContact CA-O 3.08Å; L949-M1069 HydrophobicContact CB-CB 4.33Å; L949-M1069 HydrophobicContact CD2-SD 4.16Å; L949-M1069 PolarHBondContact N-O 3.04Å; L949-M1069 PolarHBondContact O-N 3.31Å; V1024-M1069 HydrophobicContact CG1-CE 3.8Å; V1024-M1069 HydrophobicContact CG1-SD 3.68Å; L1025-M1069 HydrophobicContact CD2-CE 4.37Å; I1057-M1069 HydrophobicContact CD1-CE 3.58Å; I1057-M1069 HydrophobicContact CG1-CE 3.96Å; I1057-M1069 HydrophobicContact CG2-CE 4.09Å; L1059-M1069 WeakPolarHBondContact O-CA 3.46Å; Y1060-M1069 HydrophobicContact CD2-CE 4.3Å; Y1060-M1069 HydrophobicContact CD2-CG 3.8Å; Y1060-M1069 HydrophobicContact CD2-SD 4.45Å; Y1060-M1069 HydrophobicContact CE2-CG 3.97Å; Y1060-M1069 HydrophobicContact CE2-SD 4.35Å; F1067-M1069 HydrophobicContact CD2-CG 3.8Å; F1067-M1069 HydrophobicContact CD2-SD 4.22Å; F1067-M1069 HydrophobicContact CE2-CG 3.87Å; F1067-M1069 HydrophobicContact CE2-SD 3.72Å; M1069-F1071 HydrophobicContact CB-CD2 4.27Å; M1069-F1071 HydrophobicContact CB-CE2 3.5Å; M1069-F1071 HydrophobicContact CB-CZ 3.95Å; M1069-F1071 HydrophobicContact CE-CE1 4.28Å; M1069-F1071 HydrophobicContact CE-CE2 4.41Å; M1069-F1071 HydrophobicContact CE-CZ 3.68Å; M1069-F1071 HydrophobicContact CG-CE2 4.49Å; M1069-F1071 HydrophobicContact SD-CE2 4.39Å; M1069-F1071 HydrophobicContact SD-CZ 4Å; M1069-I1129 HydrophobicContact CE-CD1 3.86Å; M1069-I1129 HydrophobicContact SD-CD1 3.84Å; M1069-I1129 HydrophobicContact SD-CG1 4.03Å; M1069-I1129 HydrophobicContact SD-CG2 4.23Å
1070F95.8Very high93.4Very high0 Ų033.3 Ų33.30%016%0.16CC..EExtended strand (participates in β ladder)trans-114.8125.7172.8-175.1-102.7000109.5W927 I931 L934 V937 N946 L948 R1058 L1059 L1157W927-F1070 HydrophobicContact CZ2-CB 4.41Å; I931-F1070 HydrophobicContact CD1-CD2 4.39Å; I931-F1070 HydrophobicContact CG1-CD2 4.4Å; I931-F1070 HydrophobicContact CG1-CG 4.48Å; I931-F1070 HydrophobicContact CG2-CE2 4.09Å; I931-F1070 HydrophobicContact CG2-CZ 4.01Å; L934-F1070 HydrophobicContact CD1-CD1 3.61Å; L934-F1070 HydrophobicContact CD1-CE1 3.45Å; L934-F1070 VanDerWaalsContact CD1-CE1 3.45Å; V937-F1070 HydrophobicContact CG2-CE1 3.9Å; V937-F1070 HydrophobicContact CG2-CZ 3.69Å; N946-F1070 HydrophobicContact CB-CE2 3.76Å; N946-F1070 HydrophobicContact CB-CZ 3.64Å; L948-F1070 HydrophobicContact CB-CD2 4.37Å; R1058-F1070 HydrophobicContact CB-CD1 4.04Å; R1058-F1070 HydrophobicContact CG-CD1 4.45Å; R1058-F1070 PolarHBondContact N-O 3.25Å; L1059-F1070 HydrophobicContact CB-CB 3.94Å; L1059-F1070 HydrophobicContact CD1-CB 4.47Å; L1059-F1070 HydrophobicContact CG-CB 4.34Å; L1059-F1070 HydrophobicContact CG-CD1 4.49Å; L1059-F1070 PolarHBondContact N-O 3.34Å; L1059-F1070 PolarHBondContact O-N 2.98Å; F1070-L1157 HydrophobicContact CD2-CD2 4.24Å; F1070-L1157 HydrophobicContact CE2-CD1 4.34Å; F1070-L1157 HydrophobicContact CE2-CD2 3.64Å
1071F95.1Very high93.3Very high7 Ų733.9 Ų33.93%0.03116%0.163CC..EExtended strand (participates in β ladder)trans-114.9143-179.7-57-101.8000110.3N946 V947 L949 P1056 I1057 M1069 F1073 V1125 I1129N946-F1071 CarbonylContact C-O 3.57Å; N946-F1071 VanDerWaalsContact CA-O 3.26Å; N946-F1071 WeakPolarHBondContact CA-O 3.45Å; V947-F1071 HydrophobicContact CB-CB 4.21Å; V947-F1071 HydrophobicContact CB-CD2 4.39Å; V947-F1071 PolarHBondContact N-O 3.46Å; V947-F1071 WeakPolarHBondContact O-CD2 3.47Å; V947-F1071 PolarHBondContact O-N 3Å; L949-F1071 HydrophobicContact CB-CE2 4.18Å; P1056-F1071 CarbonylContact O-C 3.57Å; P1056-F1071 WeakPolarHBondContact O-CA 3.23Å; I1057-F1071 HydrophobicContact CB-CD1 4.48Å; I1057-F1071 HydrophobicContact CB-CE1 4.48Å; I1057-F1071 HydrophobicContact CD1-CE1 4.15Å; I1057-F1071 HydrophobicContact CG1-CD1 3.69Å; I1057-F1071 HydrophobicContact CG1-CE1 3.33Å; I1057-F1071 HydrophobicContact CG1-CZ 4.13Å; M1069-F1071 HydrophobicContact CB-CD2 4.27Å; M1069-F1071 HydrophobicContact CB-CE2 3.5Å; M1069-F1071 HydrophobicContact CB-CZ 3.95Å; M1069-F1071 HydrophobicContact CE-CE1 4.28Å; M1069-F1071 HydrophobicContact CE-CE2 4.41Å; M1069-F1071 HydrophobicContact CE-CZ 3.68Å; M1069-F1071 HydrophobicContact CG-CE2 4.49Å; M1069-F1071 HydrophobicContact SD-CE2 4.39Å; M1069-F1071 HydrophobicContact SD-CZ 4Å; F1071-F1073 HydrophobicContact CB-CD2 4Å; F1071-F1073 HydrophobicContact CB-CE2 3.42Å; F1071-F1073 VanDerWaalsContact CB-CE2 3.42Å; F1071-F1073 HydrophobicContact CB-CZ 3.88Å; F1071-F1073 HydrophobicContact CD1-CE2 4.11Å; F1071-F1073 AromaticContact CD1-CZ 3.72Å; F1071-F1073 HydrophobicContact CD1-CZ 3.72Å; F1071-F1073 AromaticContact CG-CE2 3.9Å; F1071-F1073 HydrophobicContact CG-CE2 3.9Å; F1071-F1073 HydrophobicContact CG-CZ 4.01Å; F1071-V1125 HydrophobicContact CD2-CG1 3.99Å; F1071-V1125 HydrophobicContact CE1-CG1 4.45Å; F1071-V1125 HydrophobicContact CE2-CG1 3.59Å; F1071-V1125 HydrophobicContact CZ-CG1 3.86Å; F1071-I1129 HydrophobicContact CE1-CD1 4.46Å; F1071-I1129 HydrophobicContact CZ-CD1 3.97Å; F1071-I1129 HydrophobicContact CZ-CG1 4.04Å
1072R94.5Very high93.3Very high23 Ų2334.6 Ų34.69%0.08717%0.167CC..EExtended strand (participates in β ladder)trans-120.8112.3166.8177.669.6176.2-178.8-2.1107.6D936 V937 E939 E944 N946 P1056 R1058D936-R1072 PolarHBondContact O-NH2 3.27Å; D936-R1072 VanDerWaalsContact O-NH2 3.15Å; V937-R1072 PolarHBondContact O-NH1 3.13Å; E939-R1072 PolarHBondContact O-NH1 3.38Å; E939-R1072 PolarHBondContact O-NH2 2.86Å; E944-R1072 IonicContact OE1-NH2 2.7Å; E944-R1072 PolarHBondContact OE1-NH2 3.15Å; N946-R1072 WeakPolarHBondContact OD1-CD 3.41Å; N946-R1072 PolarHBondContact OD1-NH1 3.27Å; P1056-R1072 WeakPolarHBondContact CA-O 3.33Å; P1056-R1072 PolarHBondContact O-N 3.34Å; R1058-R1072 HydrophobicContact CG-CB 3.86Å
1073F94.5Very high93.2Very high13 Ų1340.4 Ų40.46%0.05719%0.194CC..EExtended strand (participates in β ladder)trans-104.4139.4178.8-67.6-73.4000110.5E944 C945 V947 P1056 F1071 D1077 A1078 L1081 L1121 V1125E944-F1073 WeakPolarHBondContact CA-O 3.44Å; C945-F1073 PolarHBondContact N-O 3.15Å; C945-F1073 VanDerWaalsContact N-O 3.1Å; C945-F1073 PolarHBondContact O-N 2.83Å; V947-F1073 HydrophobicContact CB-CE2 4.22Å; V947-F1073 HydrophobicContact CG2-CD2 3.86Å; V947-F1073 HydrophobicContact CG2-CE2 3.87Å; P1056-F1073 HydrophobicContact CB-CD1 3.94Å; P1056-F1073 HydrophobicContact CB-CE1 3.72Å; P1056-F1073 HydrophobicContact CB-CZ 4.41Å; P1056-F1073 HydrophobicContact CG-CD1 4.39Å; P1056-F1073 HydrophobicContact CG-CE1 4.27Å; F1071-F1073 HydrophobicContact CB-CD2 4Å; F1071-F1073 HydrophobicContact CB-CE2 3.42Å; F1071-F1073 VanDerWaalsContact CB-CE2 3.42Å; F1071-F1073 HydrophobicContact CB-CZ 3.88Å; F1071-F1073 HydrophobicContact CD1-CE2 4.11Å; F1071-F1073 AromaticContact CD1-CZ 3.72Å; F1071-F1073 HydrophobicContact CD1-CZ 3.72Å; F1071-F1073 AromaticContact CG-CE2 3.9Å; F1071-F1073 HydrophobicContact CG-CE2 3.9Å; F1071-F1073 HydrophobicContact CG-CZ 4.01Å; F1073-D1077 HydrophobicContact CB-CB 4.29Å; F1073-D1077 HydrophobicContact CD1-CB 3.74Å; F1073-A1078 HydrophobicContact CB-CB 4.02Å; F1073-L1081 HydrophobicContact CE1-CD2 4.08Å; F1073-L1081 HydrophobicContact CZ-CD2 3.84Å; F1073-L1121 HydrophobicContact CD2-CD1 4.42Å; F1073-V1125 HydrophobicContact CE2-CG2 3.56Å; F1073-V1125 HydrophobicContact CZ-CG2 3.77Å
1074S92.9Very high93.2Very high44 Ų4445.3 Ų45.331%0.30821%0.213SC..  trans-68.9165.5159.671.80000110E1076 D1077 A1078S1074-E1076 PolarHBondContact O-N 3.09Å; S1074-E1076 PolarHBondContact OG-N 2.84Å; S1074-D1077 WeakPolarHBondContact CB-OD2 3.16Å; S1074-D1077 PolarHBondContact N-OD2 2.92Å; S1074-D1077 PolarHBondContact O-N 3.48Å; S1074-D1077 PolarHBondContact OG-N 3.16Å; S1074-D1077 VanDerWaalsContact OG-N 3.14Å; S1074-D1077 PolarHBondContact OG-OD2 3.12Å; S1074-A1078 WeakPolarHBondContact O-CB 3.41Å; S1074-A1078 PolarHBondContact O-N 2.92Å
1075A91.4Very high93.2Very high29 Ų2946 Ų4624%0.2422%0.215CC..Hα-helixtrans-61.2-27.3175.100000112.7R1079A1075-R1079 WeakPolarHBondContact O-CB 3.42Å; A1075-R1079 PolarHBondContact O-N 3.03Å
1076E91.8Very high93.2Very high142 Ų14246.9 Ų46.966%0.66422%0.219SC*.Hα-helixtrans-75.9-49.6177.9-62.8-172.5166.200111.3S1074 A1078 R1079 D1080S1074-E1076 PolarHBondContact O-N 3.09Å; S1074-E1076 PolarHBondContact OG-N 2.84Å; E1076-A1078 VanDerWaalsContact C-N 3.32Å; E1076-A1078 PolarHBondContact O-N 2.97Å; E1076-R1079 PolarHBondContact O-N 3.29Å; E1076-R1079 VanDerWaalsContact O-N 3.15Å; E1076-D1080 PolarHBondContact O-N 3.07Å
1077D91.8Very high93.2Very high73 Ų7347.8 Ų47.839%0.3923%0.234SC..Hα-helixtrans-59.9-43.6178.8-55-43.1000111.5F1073 S1074 R1079 D1080 L1081F1073-D1077 HydrophobicContact CB-CB 4.29Å; F1073-D1077 HydrophobicContact CD1-CB 3.74Å; S1074-D1077 WeakPolarHBondContact CB-OD2 3.16Å; S1074-D1077 PolarHBondContact N-OD2 2.92Å; S1074-D1077 PolarHBondContact O-N 3.48Å; S1074-D1077 PolarHBondContact OG-N 3.16Å; S1074-D1077 VanDerWaalsContact OG-N 3.14Å; S1074-D1077 PolarHBondContact OG-OD2 3.12Å; D1077-R1079 VanDerWaalsContact C-N 3.32Å; D1077-R1079 PolarHBondContact O-N 3.26Å; D1077-D1080 PolarHBondContact O-N 3.45Å; D1077-L1081 WeakPolarHBondContact O-CB 3.34Å; D1077-L1081 PolarHBondContact O-N 3.02Å
1078A91.3Very high93.1Very high0 Ų053.7 Ų53.70%026%0.262CS..Hα-helixtrans-62.6-40.7178.900000111.4F1073 S1074 E1076 I1082 L1121F1073-A1078 HydrophobicContact CB-CB 4.02Å; S1074-A1078 WeakPolarHBondContact O-CB 3.41Å; S1074-A1078 PolarHBondContact O-N 2.92Å; E1076-A1078 VanDerWaalsContact C-N 3.32Å; E1076-A1078 PolarHBondContact O-N 2.97Å; A1078-I1082 WeakPolarHBondContact O-CB 3.44Å; A1078-I1082 VanDerWaalsContact O-CD1 3.29Å; A1078-I1082 WeakPolarHBondContact O-CD1 3.39Å; A1078-I1082 WeakPolarHBondContact O-CG1 3.05Å; A1078-I1082 PolarHBondContact O-N 3.19Å; A1078-L1121 HydrophobicContact CB-CD1 3.86Å; A1078-L1121 HydrophobicContact CB-CD2 4.18Å
1079R91.2Very high92.8Very high142 Ų14257.9 Ų57.954%0.53628%0.281SS..Hα-helixtrans-69.3-43.9-179.6-166.7-173.2-50.7113.24.9111.5A1075 E1076 D1077 I1082 Q1083A1075-R1079 WeakPolarHBondContact O-CB 3.42Å; A1075-R1079 PolarHBondContact O-N 3.03Å; E1076-R1079 PolarHBondContact O-N 3.29Å; E1076-R1079 VanDerWaalsContact O-N 3.15Å; D1077-R1079 VanDerWaalsContact C-N 3.32Å; D1077-R1079 PolarHBondContact O-N 3.26Å; R1079-I1082 PolarHBondContact O-N 2.94Å; R1079-Q1083 VanDerWaalsContact O-CB 3.31Å; R1079-Q1083 WeakPolarHBondContact O-CB 3.3Å; R1079-Q1083 PolarHBondContact O-N 2.78Å
1080D94.1Very high92.4Very high85 Ų8562.5 Ų62.546%0.45531%0.311SS..Hα-helixtrans-61.3-48.1176.8-179.554.7000111.3E1076 D1077 I1082 Q1083 R1084E1076-D1080 PolarHBondContact O-N 3.07Å; D1077-D1080 PolarHBondContact O-N 3.45Å; D1080-I1082 PolarHBondContact O-N 2.84Å; D1080-Q1083 PolarHBondContact O-N 3.34Å; D1080-Q1083 VanDerWaalsContact O-N 3.12Å; D1080-R1084 WeakPolarHBondContact O-CG 3.45Å; D1080-R1084 PolarHBondContact O-N 2.96Å
1081L93Very high92Very high15 Ų1563.8 Ų63.88%0.07932%0.318CS..Hα-helixtrans-61.8-43.1179.8-174.161.9000112.1F1073 D1077 R1084 Y1085 L1121 A1124 V1125 D1128F1073-L1081 HydrophobicContact CE1-CD2 4.08Å; F1073-L1081 HydrophobicContact CZ-CD2 3.84Å; D1077-L1081 WeakPolarHBondContact O-CB 3.34Å; D1077-L1081 PolarHBondContact O-N 3.02Å; L1081-R1084 PolarHBondContact O-N 3.06Å; L1081-Y1085 WeakPolarHBondContact O-CB 3.44Å; L1081-Y1085 PolarHBondContact O-N 3.19Å; L1081-L1121 HydrophobicContact CD2-CD1 4.43Å; L1081-A1124 HydrophobicContact CD2-CB 4.37Å; L1081-A1124 HydrophobicContact CG-CB 3.84Å; L1081-V1125 HydrophobicContact CD2-CG2 3.64Å; L1081-D1128 HydrophobicContact CD1-CB 4.2Å
1082I93Very high91.5Very high16 Ų1668.6 Ų68.68%0.08235%0.35CS..Hα-helixtrans-62-44.1174.2-70.6166.5000110.9A1078 R1079 D1080 Y1085 L1086 N1120 L1121A1078-I1082 WeakPolarHBondContact O-CB 3.44Å; A1078-I1082 VanDerWaalsContact O-CD1 3.29Å; A1078-I1082 WeakPolarHBondContact O-CD1 3.39Å; A1078-I1082 WeakPolarHBondContact O-CG1 3.05Å; A1078-I1082 PolarHBondContact O-N 3.19Å; R1079-I1082 PolarHBondContact O-N 2.94Å; D1080-I1082 PolarHBondContact O-N 2.84Å; I1082-Y1085 PolarHBondContact O-N 3.07Å; I1082-L1086 HydrophobicContact CG2-CD1 3.72Å; I1082-L1086 HydrophobicContact CG2-CG 4.21Å; I1082-L1086 WeakPolarHBondContact O-CB 3.02Å; I1082-L1086 WeakPolarHBondContact O-CG 3.47Å; I1082-L1086 PolarHBondContact O-N 3.25Å; I1082-N1120 HydrophobicContact CG1-CB 4.29Å; I1082-N1120 HydrophobicContact CG2-CB 3.89Å; I1082-L1121 HydrophobicContact CD1-CB 3.87Å; I1082-L1121 HydrophobicContact CD1-CD1 4.21Å; I1082-L1121 HydrophobicContact CG1-CB 4.08Å; I1082-L1121 HydrophobicContact CG1-CD1 4.08Å
1083Q92.8Very high91.1Very high121 Ų12172.7 Ų72.757%0.56537%0.373SS*.Hα-helixtrans-63-43.7-178.9-176.9171.6-800111R1079 D1080 L1086 T1087R1079-Q1083 VanDerWaalsContact O-CB 3.31Å; R1079-Q1083 WeakPolarHBondContact O-CB 3.3Å; R1079-Q1083 PolarHBondContact O-N 2.78Å; D1080-Q1083 PolarHBondContact O-N 3.34Å; D1080-Q1083 VanDerWaalsContact O-N 3.12Å; Q1083-L1086 PolarHBondContact O-N 3.24Å; Q1083-T1087 WeakPolarHBondContact O-CB 3.27Å; Q1083-T1087 PolarHBondContact O-N 2.81Å; Q1083-T1087 PolarHBondContact O-OG1 3.44Å
1084R93.1Very high90.7Very high119 Ų11975.5 Ų75.545%0.44939%0.389SS..Hα-helixtrans-60.3-45.8174-70.8174.959.8-168.9-5.4111.8D1080 L1081 T1087 E1088 W1127D1080-R1084 WeakPolarHBondContact O-CG 3.45Å; D1080-R1084 PolarHBondContact O-N 2.96Å; L1081-R1084 PolarHBondContact O-N 3.06Å; R1084-T1087 WeakPolarHBondContact O-CB 3.17Å; R1084-T1087 PolarHBondContact O-N 3.38Å; R1084-E1088 PolarHBondContact O-N 3.01Å; R1084-W1127 HydrophobicContact CB-CZ3 4.47Å
1085Y93Very high90.4Very high21 Ų2178.8 Ų78.88%0.08240%0.399CS..Hα-helixtrans-60.8-47.2176.6168.2-108.4000112.5L1081 I1082 T1087 E1088 H1089 R1123 A1124 W1127L1081-Y1085 WeakPolarHBondContact O-CB 3.44Å; L1081-Y1085 PolarHBondContact O-N 3.19Å; I1082-Y1085 PolarHBondContact O-N 3.07Å; Y1085-T1087 PolarHBondContact O-N 3.09Å; Y1085-E1088 PolarHBondContact O-N 3.27Å; Y1085-H1089 HydrophobicContact CD2-CB 4.27Å; Y1085-H1089 AromaticContact CD2-CD2 3.95Å; Y1085-H1089 HydrophobicContact CE2-CB 3.75Å; Y1085-H1089 AromaticContact CE2-CD2 3.64Å; Y1085-H1089 WeakPolarHBondContact O-CA 3.24Å; Y1085-H1089 WeakPolarHBondContact O-CB 3.44Å; Y1085-H1089 PolarHBondContact O-N 2.74Å; Y1085-R1123 HydrophobicContact CD1-CB 4.4Å; Y1085-R1123 HydrophobicContact CE1-CB 3.73Å; Y1085-R1123 HydrophobicContact CE2-CB 4.16Å; Y1085-R1123 VanDerWaalsContact OH-CD 3.31Å; Y1085-R1123 WeakPolarHBondContact OH-CD 3.3Å; Y1085-A1124 VanDerWaalsContact CB-CB 3.42Å; Y1085-A1124 HydrophobicContact CD1-CB 4.19Å; Y1085-A1124 HydrophobicContact CG-CB 3.82Å; Y1085-W1127 HydrophobicContact CD2-CB 3.93Å; Y1085-W1127 HydrophobicContact CD2-CD2 4.33Å; Y1085-W1127 AromaticContact CD2-CG 3.99Å; Y1085-W1127 HydrophobicContact CD2-CG 3.99Å; Y1085-W1127 HydrophobicContact CE2-CB 4.35Å
1086L92.2Very high90.2Very high49 Ų4978.3 Ų78.326%0.25739%0.393SS..Hα-helixtrans-71.9-19.4179.9-68.3176.2000113.1I1082 Q1083 H1089 P1090 D1091I1082-L1086 HydrophobicContact CG2-CD1 3.72Å; I1082-L1086 HydrophobicContact CG2-CG 4.21Å; I1082-L1086 WeakPolarHBondContact O-CB 3.02Å; I1082-L1086 WeakPolarHBondContact O-CG 3.47Å; I1082-L1086 PolarHBondContact O-N 3.25Å; Q1083-L1086 PolarHBondContact O-N 3.24Å; L1086-H1089 CarbonylContact O-C 3.52Å; L1086-P1090 WeakPolarHBondContact O-CA 3.25Å; L1086-P1090 WeakPolarHBondContact O-CB 3.22Å; L1086-D1091 HydrophobicContact CD2-CB 4.47Å
1087T92.4Very high89.9Confident101 Ų10175.3 Ų75.362%0.6238%0.381SS*.Hα-helixtrans-70.5-43.5171.8-58.20000110.6Q1083 R1084 Y1085Q1083-T1087 WeakPolarHBondContact O-CB 3.27Å; Q1083-T1087 PolarHBondContact O-N 2.81Å; Q1083-T1087 PolarHBondContact O-OG1 3.44Å; R1084-T1087 WeakPolarHBondContact O-CB 3.17Å; R1084-T1087 PolarHBondContact O-N 3.38Å; Y1085-T1087 PolarHBondContact O-N 3.09Å
1088E90.6Very high89.5Confident125 Ų12577.7 Ų77.758%0.58440%0.398SS*.Hα-helixtrans-80.6-32178.8-67.5-69.9159.700112.9R1084 Y1085 W1127R1084-E1088 PolarHBondContact O-N 3.01Å; Y1085-E1088 PolarHBondContact O-N 3.27Å; E1088-W1127 HydrophobicContact CB-CZ2 4.09Å; E1088-W1127 HydrophobicContact CG-CH2 4.15Å; E1088-W1127 HydrophobicContact CG-CZ2 3.73Å
1089H89.3Confident89Confident91 Ų9179.5 Ų79.542%0.42142%0.416SS..SBendtrans-133.873.2-177.2-63.6-49.1000110.7Y1085 L1086 D1091 W1127Y1085-H1089 HydrophobicContact CD2-CB 4.27Å; Y1085-H1089 AromaticContact CD2-CD2 3.95Å; Y1085-H1089 HydrophobicContact CE2-CB 3.75Å; Y1085-H1089 AromaticContact CE2-CD2 3.64Å; Y1085-H1089 WeakPolarHBondContact O-CA 3.24Å; Y1085-H1089 WeakPolarHBondContact O-CB 3.44Å; Y1085-H1089 PolarHBondContact O-N 2.74Å; L1086-H1089 CarbonylContact O-C 3.52Å; H1089-D1091 PolarHBondContact O-N 2.49Å; H1089-W1127 AromaticContact CD2-CD1 3.62Å; H1089-W1127 AromaticContact CD2-NE1 3.66Å; H1089-W1127 AromaticContact NE2-CD1 3.48Å; H1089-W1127 AromaticContact NE2-NE1 3.39Å; H1089-W1127 PolarHBondContact NE2-NE1 3.41Å
1090P87.2Confident88.8Confident96 Ų9673.4 Ų73.462%0.62339%0.393SS*.  trans-65.9132.4-179.426-33.9000111.7L1086 P1092L1086-P1090 WeakPolarHBondContact O-CA 3.25Å; L1086-P1090 WeakPolarHBondContact O-CB 3.22Å; P1090-P1092 WeakPolarHBondContact O-CD 3.39Å
1091D87.1Confident88.5Confident28 Ų2872.1 Ų72.115%0.1539%0.387CS..  trans-119.580.5176177.521.1000110.8L1086 H1089 N1093 N1094 E1095 N1096L1086-D1091 HydrophobicContact CD2-CB 4.47Å; H1089-D1091 PolarHBondContact O-N 2.49Å; D1091-N1093 PolarHBondContact O-N 3.02Å; D1091-N1093 PolarHBondContact OD1-N 2.83Å; D1091-N1094 PolarHBondContact OD1-N 3.14Å; D1091-N1094 WeakPolarHBondContact OD2-CA 3.42Å; D1091-E1095 VanDerWaalsContact CG-N 3.3Å; D1091-E1095 PolarHBondContact OD1-N 2.63Å; D1091-E1095 PolarHBondContact OD2-N 3.5Å; D1091-N1096 WeakPolarHBondContact CB-ND2 3.5Å; D1091-N1096 WeakPolarHBondContact OD2-CB 3.5Å; D1091-N1096 PolarHBondContact OD2-N 3.21Å; D1091-N1096 PolarHBondContact OD2-ND2 3.17Å
1092P85.4Confident88.1Confident107 Ų10773.3 Ų73.370%0.69539%0.393SS*.THydrogen-bonded Turntrans-69.3-22.3179.528.3-34.6000113P1090P1090-P1092 WeakPolarHBondContact O-CD 3.39Å
1093N86.3Confident87.9Confident109 Ų10973.6 Ų73.658%0.58339%0.393SS*.THydrogen-bonded Turntrans-90.7-6.9-175.1-66.5-13.6000113.2D1091 E1095D1091-N1093 PolarHBondContact O-N 3.02Å; D1091-N1093 PolarHBondContact OD1-N 2.83Å; N1093-E1095 HydrophobicContact CB-CB 4.49Å; N1093-E1095 HydrophobicContact CB-CG 3.66Å; N1093-E1095 VanDerWaalsContact CB-OE1 3.32Å; N1093-E1095 WeakPolarHBondContact CB-OE1 3.42Å; N1093-E1095 PolarHBondContact ND2-OE1 3.45Å; N1093-E1095 PolarHBondContact O-N 3.12Å
1094N84.3Confident87.4Confident72 Ų7275 Ų7539%0.38540%0.398SS..  trans59.333.4-170-48.3-70.5000112.6D1091 N1096 K1116D1091-N1094 PolarHBondContact OD1-N 3.14Å; D1091-N1094 WeakPolarHBondContact OD2-CA 3.42Å; N1094-N1096 PolarHBondContact O-N 3.19Å; N1094-K1116 WeakPolarHBondContact OD1-CD 3.45Å; N1094-K1116 WeakPolarHBondContact OD1-CE 3.23Å; N1094-K1116 PolarHBondContact OD1-NZ 3.12Å
1095E87.4Confident87Confident113 Ų11370.5 Ų70.553%0.52838%0.384SS..G310 helixtrans-75.8-10.5179.9-76.8174.2-156.200113.4D1091 N1093 I1097 V1098D1091-E1095 VanDerWaalsContact CG-N 3.3Å; D1091-E1095 PolarHBondContact OD1-N 2.63Å; D1091-E1095 PolarHBondContact OD2-N 3.5Å; N1093-E1095 HydrophobicContact CB-CB 4.49Å; N1093-E1095 HydrophobicContact CB-CG 3.66Å; N1093-E1095 VanDerWaalsContact CB-OE1 3.32Å; N1093-E1095 WeakPolarHBondContact CB-OE1 3.42Å; N1093-E1095 PolarHBondContact ND2-OE1 3.45Å; N1093-E1095 PolarHBondContact O-N 3.12Å; E1095-I1097 PolarHBondContact O-N 3.34Å; E1095-V1098 WeakPolarHBondContact O-CB 3.45Å; E1095-V1098 PolarHBondContact O-N 2.74Å
1096N87.2Confident86.7Confident20 Ų2069.9 Ų69.911%0.10738%0.382CS..G310 helixtrans-55.1-23.9179.6-80.9-22.1000113.4D1091 N1094 V1119 N1120 R1123D1091-N1096 WeakPolarHBondContact CB-ND2 3.5Å; D1091-N1096 WeakPolarHBondContact OD2-CB 3.5Å; D1091-N1096 PolarHBondContact OD2-N 3.21Å; D1091-N1096 PolarHBondContact OD2-ND2 3.17Å; N1094-N1096 PolarHBondContact O-N 3.19Å; N1096-V1119 HydrophobicContact CB-CG1 3.84Å; N1096-V1119 WeakPolarHBondContact O-CG1 3.49Å; N1096-N1120 PolarHBondContact ND2-OD1 3.34Å; N1096-R1123 PolarHBondContact O-NE 3.05Å; N1096-R1123 PolarHBondContact O-NH2 2.69Å
1097I85.4Confident86.2Confident79 Ų7967.8 Ų67.841%0.40537%0.371SS..G310 helixtrans-71.5-30.6175.368.2179.6000113.7E1095 Y1100 V1119E1095-I1097 PolarHBondContact O-N 3.34Å; I1097-Y1100 PolarHBondContact O-N 3.35Å; I1097-V1119 HydrophobicContact CG2-CG1 4.31Å; I1097-V1119 HydrophobicContact CG2-CG2 4.28Å
1098V82.6Confident85.6Confident123 Ų12365.4 Ų65.475%0.74535%0.35SS*.THydrogen-bonded Turntrans-70-43.9-170.2178.60000111.1E1095 Y1100E1095-V1098 WeakPolarHBondContact O-CB 3.45Å; E1095-V1098 PolarHBondContact O-N 2.74Å; V1098-Y1100 VanDerWaalsContact C-N 3.34Å
1099G81.9Confident85Confident38 Ų3862.3 Ų62.339%0.39234%0.338SS..THydrogen-bonded Turntrans-91.316.3178.900000114.1R1123 W1142G1099-R1123 PolarHBondContact O-NH2 3.47Å; G1099-W1142 PolarHBondContact O-NE1 3.07Å
1100Y87.8Confident84.8Confident13 Ų1358.2 Ų58.25%0.05132%0.319CS..  trans-88.6113-178.5-160.2-84.4000110.4I1097 V1098 N1102 M1112 L1114 V1119 R1123 W1142 V1147I1097-Y1100 PolarHBondContact O-N 3.35Å; V1098-Y1100 VanDerWaalsContact C-N 3.34Å; Y1100-N1102 PolarHBondContact O-N 3.29Å; Y1100-M1112 HydrophobicContact CE1-CE 4.02Å; Y1100-M1112 HydrophobicContact CE1-SD 3.69Å; Y1100-M1112 WeakPolarHBondContact OH-CE 3.38Å; Y1100-L1114 HydrophobicContact CD1-CD2 3.77Å; Y1100-L1114 HydrophobicContact CE1-CD2 4.42Å; Y1100-L1114 HydrophobicContact CG-CD2 4.26Å; Y1100-V1119 HydrophobicContact CD2-CB 4.35Å; Y1100-V1119 HydrophobicContact CD2-CG1 3.76Å; Y1100-V1119 HydrophobicContact CD2-CG2 4.31Å; Y1100-V1119 HydrophobicContact CE2-CG1 4.29Å; Y1100-V1119 HydrophobicContact CG-CG1 4.39Å; Y1100-V1119 HydrophobicContact CG-CG2 4.45Å; Y1100-R1123 HydrophobicContact CD2-CG 4.46Å; Y1100-W1142 AromaticContact CD2-CH2 3.95Å; Y1100-W1142 HydrophobicContact CD2-CH2 3.95Å; Y1100-W1142 AromaticContact CD2-CZ2 3.62Å; Y1100-W1142 HydrophobicContact CD2-CZ2 3.62Å; Y1100-W1142 AromaticContact CE2-CH2 3.72Å; Y1100-W1142 HydrophobicContact CE2-CH2 3.72Å; Y1100-W1142 AromaticContact CE2-CZ2 3.88Å; Y1100-W1142 HydrophobicContact CE2-CZ2 3.88Å; Y1100-W1142 HydrophobicContact CG-CZ2 4.21Å; Y1100-V1147 PolarHBondContact OH-O 3.19Å
1101N86.6Confident84.7Confident59 Ų5956 Ų5632%0.31630%0.298SS..  trans-66.5129-179.3-68.7-25.2000110.1W1142 F1146N1101-W1142 PolarHBondContact ND2-O 3.27Å; N1101-W1142 VanDerWaalsContact ND2-O 3.12Å; N1101-F1146 WeakPolarHBondContact O-CD2 3.39Å; N1101-F1146 WeakPolarHBondContact O-CE2 3.16Å
1102N84.4Confident84.8Confident39 Ų3954.8 Ų54.821%0.20929%0.292CS..  trans-128.3148.3178.8-157.7-11.7000111.2Y1100 K1104 M1112Y1100-N1102 PolarHBondContact O-N 3.29Å; N1102-K1104 PolarHBondContact O-N 2.94Å; N1102-M1112 PolarHBondContact ND2-O 3.28Å
1103K88.2Confident84.7Confident22 Ų2255.3 Ų55.310%0.09628%0.28CS..  trans-77.392.8-177.1-75.1176.4169.5-63.70111.2C1105 W1106 R1111 F1146 L1158 F1159 A1160 E1165K1103-C1105 PolarHBondContact O-N 2.7Å; K1103-C1105 VanDerWaalsContact O-N 3.16Å; K1103-W1106 PolarHBondContact O-N 3.47Å; K1103-R1111 WeakPolarHBondContact O-CG 3.29Å; K1103-R1111 PolarHBondContact O-NE 3.06Å; K1103-F1146 HydrophobicContact CD-CD1 4.12Å; K1103-F1146 HydrophobicContact CD-CE1 3.58Å; K1103-F1146 HydrophobicContact CD-CE2 4.32Å; K1103-F1146 HydrophobicContact CD-CZ 3.71Å; K1103-F1146 VanDerWaalsContact CE-CD1 3.42Å; K1103-F1146 HydrophobicContact CG-CD1 4.47Å; K1103-F1146 HydrophobicContact CG-CD2 4.27Å; K1103-F1146 HydrophobicContact CG-CE1 4.06Å; K1103-F1146 HydrophobicContact CG-CE2 3.88Å; K1103-F1146 HydrophobicContact CG-CZ 3.75Å; K1103-L1158 HydrophobicContact CD-CB 4.02Å; K1103-F1159 VanDerWaalsContact CE-C 3.5Å; K1103-A1160 VanDerWaalsContact NZ-CB 3.27Å; K1103-E1165 HydrophobicContact CD-CG 4.24Å; K1103-E1165 WeakPolarHBondContact CD-OE1 3.34Å; K1103-E1165 WeakPolarHBondContact CE-OE1 3.45Å; K1103-E1165 WeakPolarHBondContact CG-OE1 3.36Å; K1103-E1165 IonicContact NZ-OE1 3.68Å; K1103-E1165 PolarHBondContact NZ-OE1 3.05Å
1104K84Confident84.7Confident152 Ų15253.6 Ų53.666%0.66127%0.271SS*.THydrogen-bonded Turntrans-70.3-5.7-174.7-63.5-174.8-179.8-174.10115.2N1102 R1111N1102-K1104 PolarHBondContact O-N 2.94Å; K1104-R1111 VanDerWaalsContact CA-CZ 3.47Å; K1104-R1111 PolarHBondContact O-NH2 3.41Å
1105C84.1Confident84.8Confident23 Ų2353.9 Ų53.916%0.15527%0.271CS..THydrogen-bonded Turntrans-72.6-30.9177.358.70000113.2K1103 E1165 R1205K1103-C1105 PolarHBondContact O-N 2.7Å; K1103-C1105 VanDerWaalsContact O-N 3.16Å; C1105-E1165 PolarHBondContact SG-OE1 2.79Å; C1105-E1165 PolarHBondContact SG-OE2 3.3Å; C1105-R1205 PolarHBondContact O-NH1 3.44Å; C1105-R1205 PolarHBondContact O-NH2 3.38Å
1106W87.4Confident84.9Confident9 Ų954.3 Ų54.33%0.03427%0.271CS..SBendtrans-81.2153.8177-65110.3000110.8K1103 R1111 L1158 R1167 F1203 R1205K1103-W1106 PolarHBondContact O-N 3.47Å; W1106-R1111 HydrophobicContact CB-CG 4.08Å; W1106-R1111 PolarHBondContact O-NE 3.34Å; W1106-R1111 PolarHBondContact O-NH2 2.83Å; W1106-L1158 HydrophobicContact CG-CD2 4.49Å; W1106-R1167 HydrophobicContact CD2-CB 4.44Å; W1106-R1167 HydrophobicContact CH2-CB 4.02Å; W1106-R1167 HydrophobicContact CZ2-CB 3.73Å; W1106-R1167 HydrophobicContact CZ3-CB 4.48Å; W1106-F1203 HydrophobicContact CH2-CB 3.64Å; W1106-F1203 HydrophobicContact CZ3-CB 4Å; W1106-R1205 HydrophobicContact CH2-CB 4.36Å; W1106-R1205 HydrophobicContact CH2-CG 3.55Å; W1106-R1205 HydrophobicContact CZ2-CB 4.29Å; W1106-R1205 HydrophobicContact CZ2-CG 3.92Å; W1106-R1205 HydrophobicContact CZ3-CG 3.97Å
1107P81.5Confident85.1Confident4 Ų457.1 Ų57.13%0.02628%0.283CS..  trans-63.2160.1170.2-12.124.3000111.4D1109 S1110 R1111 K1318 D1321P1107-D1109 VanDerWaalsContact C-N 3.33Å; P1107-D1109 WeakPolarHBondContact CB-OD1 3.27Å; P1107-D1109 PolarHBondContact O-N 3.09Å; P1107-S1110 WeakPolarHBondContact O-CB 3.42Å; P1107-S1110 PolarHBondContact O-N 3.49Å; P1107-S1110 VanDerWaalsContact O-N 3.07Å; P1107-R1111 WeakPolarHBondContact O-CG 3.42Å; P1107-R1111 PolarHBondContact O-N 3.03Å; P1107-K1318 WeakPolarHBondContact CA-O 3.5Å; P1107-D1321 WeakPolarHBondContact CG-OD1 3.48Å
1108R79Confident85.4Confident51 Ų5153.4 Ų53.419%0.19226%0.264CS..G310 helixtrans-63-34.4-172.2-69.4177.8179.5-176.1-3.5113.9E263 D264 N269 S1110 K1318 Q1319E263-R1108 PolarHBondContact O-NH2 2.84Å; D264-R1108 PolarHBondContact O-NH1 3.34Å; D264-R1108 PolarHBondContact O-NH2 2.8Å; N269-R1108 PolarHBondContact ND2-NH1 2.89Å; N269-R1108 PolarHBondContact OD1-NH1 2.92Å; R1108-S1110 PolarHBondContact O-N 2.89Å; R1108-K1318 WeakPolarHBondContact CG-O 3.21Å; R1108-K1318 PolarHBondContact N-O 2.87Å; R1108-Q1319 PolarHBondContact N-O 3.17Å
1109D79.1Confident85.8Confident61 Ų6147.5 Ų47.533%0.32623%0.228SC..G310 helixtrans-64.3-25.3174.967.3-13.8000113.5P1107 Q1319 T1320P1107-D1109 VanDerWaalsContact C-N 3.33Å; P1107-D1109 WeakPolarHBondContact CB-OD1 3.27Å; P1107-D1109 PolarHBondContact O-N 3.09Å; D1109-Q1319 WeakPolarHBondContact CB-O 3.45Å; D1109-Q1319 PolarHBondContact N-O 3.04Å; D1109-Q1319 VanDerWaalsContact OD1-O 3.08Å; D1109-T1320 HydrophobicContact CB-CG2 4.31Å; D1109-T1320 VanDerWaalsContact OD2-CA 3.29Å; D1109-T1320 WeakPolarHBondContact OD2-CA 3.5Å; D1109-T1320 WeakPolarHBondContact OD2-CB 3.46Å; D1109-T1320 WeakPolarHBondContact OD2-CG2 3.48Å
1110S84Confident86.4Confident4 Ų446.1 Ų46.13%0.02821%0.212CC..G310 helixtrans-101.4-10.5-169.3-62.60000113.2P1107 R1108 N1156 R1167P1107-S1110 WeakPolarHBondContact O-CB 3.42Å; P1107-S1110 PolarHBondContact O-N 3.49Å; P1107-S1110 VanDerWaalsContact O-N 3.07Å; R1108-S1110 PolarHBondContact O-N 2.89Å; S1110-N1156 WeakPolarHBondContact CA-ND2 3.42Å; S1110-N1156 PolarHBondContact O-ND2 2.89Å; S1110-R1167 PolarHBondContact OG-NH1 3.35Å
1111R86Confident86.7Confident49 Ų4945.5 Ų45.519%0.18521%0.21CC..SBendtrans-77.3167.2173.8-72.3174.9-158.3-176.14.4110.4K1103 K1104 W1106 P1107 R1113K1103-R1111 WeakPolarHBondContact O-CG 3.29Å; K1103-R1111 PolarHBondContact O-NE 3.06Å; K1104-R1111 VanDerWaalsContact CA-CZ 3.47Å; K1104-R1111 PolarHBondContact O-NH2 3.41Å; W1106-R1111 HydrophobicContact CB-CG 4.08Å; W1106-R1111 PolarHBondContact O-NE 3.34Å; W1106-R1111 PolarHBondContact O-NH2 2.83Å; P1107-R1111 WeakPolarHBondContact O-CG 3.42Å; P1107-R1111 PolarHBondContact O-N 3.03Å; R1111-R1113 PolarHBondContact O-N 2.89Å
1112M87.6Confident87Confident3 Ų342.7 Ų42.72%0.01520%0.195CC..PPolyproline II helixtrans-63.1123.1164.5-175.6-176.3162.100108.7Y1100 N1102 D1118 V1149 L1158Y1100-M1112 HydrophobicContact CE1-CE 4.02Å; Y1100-M1112 HydrophobicContact CE1-SD 3.69Å; Y1100-M1112 WeakPolarHBondContact OH-CE 3.38Å; N1102-M1112 PolarHBondContact ND2-O 3.28Å; M1112-D1118 HydrophobicContact CE-CB 3.79Å; M1112-V1149 HydrophobicContact CE-CB 3.81Å; M1112-V1149 HydrophobicContact CE-CG2 3.75Å; M1112-V1149 HydrophobicContact SD-CB 4.48Å; M1112-V1149 PolarHBondContact SD-N 3.39Å; M1112-L1158 HydrophobicContact CB-CD1 4.38Å
1113R84.3Confident87.5Confident118 Ų11842.6 Ų42.645%0.44519%0.191SC..PPolyproline II helixtrans-71.2135.3170.4-57.9172.9-180175.6-8.1108.3R1111 M1115 D1153 N1154R1111-R1113 PolarHBondContact O-N 2.89Å; R1113-M1115 VanDerWaalsContact C-N 3.33Å; R1113-M1115 PolarHBondContact O-N 2.77Å; R1113-M1115 VanDerWaalsContact O-N 3.1Å; R1113-D1153 WeakPolarHBondContact CD-O 3.46Å; R1113-D1153 PolarHBondContact NH1-O 2.68Å; R1113-N1154 WeakPolarHBondContact CA-OD1 3.49Å; R1113-N1154 VanDerWaalsContact CB-OD1 3.22Å; R1113-N1154 WeakPolarHBondContact CB-OD1 3.37Å; R1113-N1154 PolarHBondContact N-OD1 2.96Å; R1113-N1154 PolarHBondContact O-ND2 2.94Å
1114L86.1Confident87.7Confident74 Ų7441.5 Ų41.539%0.38719%0.187SC..  trans-89.371.6-174.4-59.7179.5000110.5Y1100 V1119Y1100-L1114 HydrophobicContact CD1-CD2 3.77Å; Y1100-L1114 HydrophobicContact CE1-CD2 4.42Å; Y1100-L1114 HydrophobicContact CG-CD2 4.26Å; L1114-V1119 HydrophobicContact CB-CG2 4.1Å; L1114-V1119 HydrophobicContact CD2-CG2 4.02Å
1115M87Confident88.2Confident78 Ų7834.4 Ų34.438%0.38416%0.156SC..  trans-82.8143.4173.6-59.1-56.1-74.700110.2R1113 H1117 D1118 V1119 D1153R1113-M1115 VanDerWaalsContact C-N 3.33Å; R1113-M1115 PolarHBondContact O-N 2.77Å; R1113-M1115 VanDerWaalsContact O-N 3.1Å; M1115-H1117 VanDerWaalsContact C-N 3.31Å; M1115-H1117 PolarHBondContact O-N 3.03Å; M1115-D1118 HydrophobicContact CB-CB 4.33Å; M1115-D1118 PolarHBondContact O-N 3.21Å; M1115-V1119 WeakPolarHBondContact O-CB 3.36Å; M1115-V1119 VanDerWaalsContact O-CG2 3.29Å; M1115-V1119 WeakPolarHBondContact O-CG2 3.47Å; M1115-V1119 PolarHBondContact O-N 2.88Å; M1115-D1153 HydrophobicContact CG-CB 3.86Å
1116K88.1Confident88.7Confident122 Ų12234 Ų3453%0.5315%0.152SC..Hα-helixtrans-54.9-45-178.3-178.7174.3176.4170.10112.5N1094 N1120N1094-K1116 WeakPolarHBondContact OD1-CD 3.45Å; N1094-K1116 WeakPolarHBondContact OD1-CE 3.23Å; N1094-K1116 PolarHBondContact OD1-NZ 3.12Å; K1116-N1120 VanDerWaalsContact O-CB 3.29Å; K1116-N1120 WeakPolarHBondContact O-CB 3.28Å; K1116-N1120 PolarHBondContact O-N 3.38Å; K1116-N1120 PolarHBondContact O-ND2 3.45Å
1117H91.8Very high89Confident79 Ų7935.4 Ų35.437%0.36616%0.157SC..Hα-helixtrans-58.8-53.7177.8177.171.5000111.5M1115 V1119 N1120 L1121M1115-H1117 VanDerWaalsContact C-N 3.31Å; M1115-H1117 PolarHBondContact O-N 3.03Å; H1117-V1119 PolarHBondContact O-N 2.94Å; H1117-N1120 PolarHBondContact O-N 2.77Å; H1117-L1121 WeakPolarHBondContact O-CB 3.42Å; H1117-L1121 PolarHBondContact O-N 3.35Å
1118D91.9Very high89.6Confident0 Ų036.8 Ų36.80%016%0.164CC..Hα-helixtrans-66.6-39.8-176.4-63.5-23.1000112.8M1112 M1115 L1121 G1122 V1149 S1151 N1154M1112-D1118 HydrophobicContact CE-CB 3.79Å; M1115-D1118 HydrophobicContact CB-CB 4.33Å; M1115-D1118 PolarHBondContact O-N 3.21Å; D1118-L1121 PolarHBondContact O-N 3.46Å; D1118-G1122 PolarHBondContact O-N 3.42Å; D1118-V1149 HydrophobicContact CB-CB 4.01Å; D1118-V1149 HydrophobicContact CB-CG1 4.1Å; D1118-V1149 HydrophobicContact CB-CG2 4.32Å; D1118-V1149 WeakPolarHBondContact O-CG2 3.33Å; D1118-S1151 WeakPolarHBondContact OD1-CB 3.38Å; D1118-S1151 PolarHBondContact OD1-OG 2.65Å; D1118-S1151 PolarHBondContact OD2-OG 3.11Å; D1118-N1154 PolarHBondContact OD2-ND2 3.02Å
1119V92Very high90.3Very high0 Ų034.4 Ų34.40%016%0.155CC..Hα-helixtrans-65.2-44.8177.7167.70000110.6N1096 I1097 Y1100 L1114 M1115 H1117 G1122 R1123N1096-V1119 HydrophobicContact CB-CG1 3.84Å; N1096-V1119 WeakPolarHBondContact O-CG1 3.49Å; I1097-V1119 HydrophobicContact CG2-CG1 4.31Å; I1097-V1119 HydrophobicContact CG2-CG2 4.28Å; Y1100-V1119 HydrophobicContact CD2-CB 4.35Å; Y1100-V1119 HydrophobicContact CD2-CG1 3.76Å; Y1100-V1119 HydrophobicContact CD2-CG2 4.31Å; Y1100-V1119 HydrophobicContact CE2-CG1 4.29Å; Y1100-V1119 HydrophobicContact CG-CG1 4.39Å; Y1100-V1119 HydrophobicContact CG-CG2 4.45Å; L1114-V1119 HydrophobicContact CB-CG2 4.1Å; L1114-V1119 HydrophobicContact CD2-CG2 4.02Å; M1115-V1119 WeakPolarHBondContact O-CB 3.36Å; M1115-V1119 VanDerWaalsContact O-CG2 3.29Å; M1115-V1119 WeakPolarHBondContact O-CG2 3.47Å; M1115-V1119 PolarHBondContact O-N 2.88Å; H1117-V1119 PolarHBondContact O-N 2.94Å; V1119-G1122 PolarHBondContact O-N 3.34Å; V1119-R1123 WeakPolarHBondContact O-CG 3.48Å; V1119-R1123 PolarHBondContact O-N 3.07Å
1120N93.7Very high91Very high9 Ų934.6 Ų34.65%0.04815%0.153CC..Hα-helixtrans-65.5-41.4176.2-70.9-17.7000111.2I1082 N1096 K1116 H1117 G1122 R1123 A1124I1082-N1120 HydrophobicContact CG1-CB 4.29Å; I1082-N1120 HydrophobicContact CG2-CB 3.89Å; N1096-N1120 PolarHBondContact ND2-OD1 3.34Å; K1116-N1120 VanDerWaalsContact O-CB 3.29Å; K1116-N1120 WeakPolarHBondContact O-CB 3.28Å; K1116-N1120 PolarHBondContact O-N 3.38Å; K1116-N1120 PolarHBondContact O-ND2 3.45Å; H1117-N1120 PolarHBondContact O-N 2.77Å; N1120-G1122 VanDerWaalsContact C-N 3.35Å; N1120-G1122 PolarHBondContact O-N 3.46Å; N1120-R1123 PolarHBondContact O-N 3.44Å; N1120-A1124 VanDerWaalsContact O-CB 3.24Å; N1120-A1124 WeakPolarHBondContact O-CB 3.25Å; N1120-A1124 PolarHBondContact O-N 3.39Å
1121L94.2Very high91.4Very high0 Ų039 Ų390%018%0.176CC..Hα-helixtrans-59.2-47.2175.9-17457.8000111.1C945 V947 F1073 A1078 L1081 I1082 H1117 D1118 R1123 A1124 V1125 V1149C945-L1121 HydrophobicContact CB-CD2 3.68Å; V947-L1121 HydrophobicContact CG2-CD2 3.67Å; V947-L1121 HydrophobicContact CG2-CG 3.9Å; F1073-L1121 HydrophobicContact CD2-CD1 4.42Å; A1078-L1121 HydrophobicContact CB-CD1 3.86Å; A1078-L1121 HydrophobicContact CB-CD2 4.18Å; L1081-L1121 HydrophobicContact CD2-CD1 4.43Å; I1082-L1121 HydrophobicContact CD1-CB 3.87Å; I1082-L1121 HydrophobicContact CD1-CD1 4.21Å; I1082-L1121 HydrophobicContact CG1-CB 4.08Å; I1082-L1121 HydrophobicContact CG1-CD1 4.08Å; H1117-L1121 WeakPolarHBondContact O-CB 3.42Å; H1117-L1121 PolarHBondContact O-N 3.35Å; D1118-L1121 PolarHBondContact O-N 3.46Å; L1121-R1123 VanDerWaalsContact C-N 3.34Å; L1121-R1123 PolarHBondContact O-N 3.04Å; L1121-A1124 PolarHBondContact O-N 3.05Å; L1121-V1125 HydrophobicContact CD1-CG2 4.38Å; L1121-V1125 WeakPolarHBondContact O-CG2 3.46Å; L1121-V1125 PolarHBondContact O-N 3.34Å; L1121-V1149 HydrophobicContact CD2-CG1 4.07Å
1122G93.4Very high91.6Very high0 Ų040.5 Ų40.50%018%0.182CC..Hα-helixtrans-62.7-38.9179.400000113.2D1118 V1119 N1120 F1126D1118-G1122 PolarHBondContact O-N 3.42Å; V1119-G1122 PolarHBondContact O-N 3.34Å; N1120-G1122 VanDerWaalsContact C-N 3.35Å; N1120-G1122 PolarHBondContact O-N 3.46Å; G1122-F1126 PolarHBondContact O-N 3.46Å
1123R93.5Very high91.8Very high36 Ų3641 Ų4114%0.13619%0.185CC..Hα-helixtrans-68.4-39.5173.9-71.6-171177.9-74.9-1.3112.2Y1085 N1096 G1099 Y1100 V1119 N1120 L1121 F1126 W1127 W1142Y1085-R1123 HydrophobicContact CD1-CB 4.4Å; Y1085-R1123 HydrophobicContact CE1-CB 3.73Å; Y1085-R1123 HydrophobicContact CE2-CB 4.16Å; Y1085-R1123 VanDerWaalsContact OH-CD 3.31Å; Y1085-R1123 WeakPolarHBondContact OH-CD 3.3Å; N1096-R1123 PolarHBondContact O-NE 3.05Å; N1096-R1123 PolarHBondContact O-NH2 2.69Å; G1099-R1123 PolarHBondContact O-NH2 3.47Å; Y1100-R1123 HydrophobicContact CD2-CG 4.46Å; V1119-R1123 WeakPolarHBondContact O-CG 3.48Å; V1119-R1123 PolarHBondContact O-N 3.07Å; N1120-R1123 PolarHBondContact O-N 3.44Å; L1121-R1123 VanDerWaalsContact C-N 3.34Å; L1121-R1123 PolarHBondContact O-N 3.04Å; R1123-F1126 PolarHBondContact O-N 3.47Å; R1123-W1127 VanDerWaalsContact O-CB 3.29Å; R1123-W1127 WeakPolarHBondContact O-CB 3.45Å; R1123-W1127 PolarHBondContact O-N 3.45Å; R1123-W1142 HydrophobicContact CG-CH2 3.96Å; R1123-W1142 HydrophobicContact CG-CZ2 4.26Å; R1123-W1142 HydrophobicContact CG-CZ3 4.47Å
1124A94.1Very high92.1Very high0 Ų036.9 Ų36.90%017%0.173CC..Hα-helixtrans-65.1-43.2179.200000111.9L1081 Y1085 N1120 L1121 W1127 D1128L1081-A1124 HydrophobicContact CD2-CB 4.37Å; L1081-A1124 HydrophobicContact CG-CB 3.84Å; Y1085-A1124 VanDerWaalsContact CB-CB 3.42Å; Y1085-A1124 HydrophobicContact CD1-CB 4.19Å; Y1085-A1124 HydrophobicContact CG-CB 3.82Å; N1120-A1124 VanDerWaalsContact O-CB 3.24Å; N1120-A1124 WeakPolarHBondContact O-CB 3.25Å; N1120-A1124 PolarHBondContact O-N 3.39Å; L1121-A1124 PolarHBondContact O-N 3.05Å; A1124-W1127 PolarHBondContact O-N 3.09Å; A1124-D1128 PolarHBondContact O-N 2.76Å
1125V94.5Very high92.3Very high2 Ų242.1 Ų42.11%0.01219%0.188CC..Hα-helixtrans-61.1-46.6174.3170.40000111.4V947 F1071 F1073 L1081 L1121 W1127 D1128 I1129V947-V1125 HydrophobicContact CB-CG2 4.41Å; V947-V1125 HydrophobicContact CG1-CB 4.27Å; V947-V1125 HydrophobicContact CG1-CG1 4.13Å; V947-V1125 HydrophobicContact CG1-CG2 4.09Å; V947-V1125 HydrophobicContact CG2-CG2 4.32Å; F1071-V1125 HydrophobicContact CD2-CG1 3.99Å; F1071-V1125 HydrophobicContact CE1-CG1 4.45Å; F1071-V1125 HydrophobicContact CE2-CG1 3.59Å; F1071-V1125 HydrophobicContact CZ-CG1 3.86Å; F1073-V1125 HydrophobicContact CE2-CG2 3.56Å; F1073-V1125 HydrophobicContact CZ-CG2 3.77Å; L1081-V1125 HydrophobicContact CD2-CG2 3.64Å; L1121-V1125 HydrophobicContact CD1-CG2 4.38Å; L1121-V1125 WeakPolarHBondContact O-CG2 3.46Å; L1121-V1125 PolarHBondContact O-N 3.34Å; V1125-W1127 VanDerWaalsContact C-N 3.33Å; V1125-W1127 PolarHBondContact O-N 3.04Å; V1125-D1128 PolarHBondContact O-N 3.1Å; V1125-I1129 WeakPolarHBondContact O-CG1 3.21Å; V1125-I1129 PolarHBondContact O-N 3.35Å; V1125-I1129 VanDerWaalsContact O-N 3.13Å
1126F94.1Very high92.3Very high16 Ų1639 Ų397%0.0717%0.174CC..Hα-helixtrans-62.9-41.2177.4174.2-90.7000112.4L949 G1122 R1123 I1129 K1130 I1140 W1142 S1145 V1147L949-F1126 HydrophobicContact CD1-CD2 4.06Å; G1122-F1126 PolarHBondContact O-N 3.46Å; R1123-F1126 PolarHBondContact O-N 3.47Å; F1126-I1129 PolarHBondContact O-N 3.32Å; F1126-K1130 HydrophobicContact CE1-CB 4.47Å; F1126-K1130 HydrophobicContact CE1-CD 3.82Å; F1126-K1130 HydrophobicContact CZ-CD 4.25Å; F1126-K1130 VanDerWaalsContact O-CB 3.24Å; F1126-K1130 WeakPolarHBondContact O-CB 3.2Å; F1126-K1130 PolarHBondContact O-N 3.13Å; F1126-I1140 HydrophobicContact CD2-CG2 4.31Å; F1126-I1140 HydrophobicContact CE2-CG2 3.35Å; F1126-I1140 HydrophobicContact CZ-CG2 3.71Å; F1126-W1142 HydrophobicContact CB-CE3 3.91Å; F1126-W1142 HydrophobicContact CB-CZ3 3.55Å; F1126-W1142 AromaticContact CD1-CE3 3.53Å; F1126-W1142 HydrophobicContact CD1-CE3 3.53Å; F1126-W1142 HydrophobicContact CD1-CZ3 4.07Å; F1126-W1142 AromaticContact CD2-CE3 3.7Å; F1126-W1142 HydrophobicContact CD2-CE3 3.7Å; F1126-W1142 HydrophobicContact CD2-CZ3 4.07Å; F1126-W1142 HydrophobicContact CE1-CB 4.05Å; F1126-W1142 AromaticContact CE1-CE3 3.9Å; F1126-W1142 HydrophobicContact CE1-CE3 3.9Å; F1126-W1142 HydrophobicContact CE2-CE3 4.04Å; F1126-W1142 AromaticContact CG-CE3 3.42Å; F1126-W1142 HydrophobicContact CG-CE3 3.42Å; F1126-W1142 VanDerWaalsContact CG-CE3 3.42Å; F1126-W1142 AromaticContact CG-CZ3 3.64Å; F1126-W1142 HydrophobicContact CG-CZ3 3.64Å; F1126-W1142 HydrophobicContact CZ-CB 3.92Å; F1126-W1142 HydrophobicContact CZ-CE3 4.14Å; F1126-S1145 WeakPolarHBondContact CD2-OG 3.21Å; F1126-S1145 WeakPolarHBondContact CE2-OG 3.45Å; F1126-V1147 HydrophobicContact CB-CG2 4.43Å
1127W94.3Very high92.4Very high37 Ų3733.3 Ų33.314%0.1415%0.149CC..Hα-helixtrans-61.4-45.4177.5171.683.2000111.5R1084 Y1085 E1088 H1089 R1123 A1124 V1125 I1129 K1130 N1131R1084-W1127 HydrophobicContact CB-CZ3 4.47Å; Y1085-W1127 HydrophobicContact CD2-CB 3.93Å; Y1085-W1127 HydrophobicContact CD2-CD2 4.33Å; Y1085-W1127 AromaticContact CD2-CG 3.99Å; Y1085-W1127 HydrophobicContact CD2-CG 3.99Å; Y1085-W1127 HydrophobicContact CE2-CB 4.35Å; E1088-W1127 HydrophobicContact CB-CZ2 4.09Å; E1088-W1127 HydrophobicContact CG-CH2 4.15Å; E1088-W1127 HydrophobicContact CG-CZ2 3.73Å; H1089-W1127 AromaticContact CD2-CD1 3.62Å; H1089-W1127 AromaticContact CD2-NE1 3.66Å; H1089-W1127 AromaticContact NE2-CD1 3.48Å; H1089-W1127 AromaticContact NE2-NE1 3.39Å; H1089-W1127 PolarHBondContact NE2-NE1 3.41Å; R1123-W1127 VanDerWaalsContact O-CB 3.29Å; R1123-W1127 WeakPolarHBondContact O-CB 3.45Å; R1123-W1127 PolarHBondContact O-N 3.45Å; A1124-W1127 PolarHBondContact O-N 3.09Å; V1125-W1127 VanDerWaalsContact C-N 3.33Å; V1125-W1127 PolarHBondContact O-N 3.04Å; W1127-I1129 PolarHBondContact O-N 3.35Å; W1127-K1130 PolarHBondContact O-N 3.49Å; W1127-N1131 VanDerWaalsContact CZ2-ND2 3.34Å; W1127-N1131 WeakPolarHBondContact CZ2-ND2 3.35Å; W1127-N1131 PolarHBondContact NE1-ND2 3.26Å; W1127-N1131 VanDerWaalsContact O-CG 3.25Å; W1127-N1131 PolarHBondContact O-N 3.28Å; W1127-N1131 VanDerWaalsContact O-N 3.09Å; W1127-N1131 PolarHBondContact O-ND2 3.21Å
1128D93.4Very high92.4Very high33 Ų3329.6 Ų29.618%0.17613%0.132CC..Hα-helixtrans-59.4-49.4177.1-173.862.1000111.6L1081 A1124 V1125 K1130 N1131 R1132L1081-D1128 HydrophobicContact CD1-CB 4.2Å; A1124-D1128 PolarHBondContact O-N 2.76Å; V1125-D1128 PolarHBondContact O-N 3.1Å; D1128-K1130 VanDerWaalsContact C-N 3.33Å; D1128-K1130 PolarHBondContact O-N 2.95Å; D1128-N1131 PolarHBondContact O-N 2.96Å; D1128-R1132 PolarHBondContact O-N 3.2Å; D1128-R1132 IonicContact OD2-CZ 2.81Å; D1128-R1132 IonicContact OD2-NE 3.77Å; D1128-R1132 PolarHBondContact OD2-NE 2.87Å; D1128-R1132 IonicContact OD2-NH2 3.19Å; D1128-R1132 PolarHBondContact OD2-NH2 2.86Å
1129I93.6Very high92.3Very high1 Ų130.9 Ų30.91%0.00514%0.14CC..Hα-helixtrans-65.6-36.7179.6-62.7-54.2000112.2L949 V1024 F1067 M1069 F1071 V1125 F1126 W1127 N1131 R1132 I1140L949-I1129 HydrophobicContact CD2-CB 3.99Å; L949-I1129 HydrophobicContact CD2-CG1 3.81Å; L949-I1129 HydrophobicContact CD2-CG2 3.95Å; V1024-I1129 HydrophobicContact CG1-CD1 4.48Å; V1024-I1129 HydrophobicContact CG1-CG2 4.32Å; F1067-I1129 HydrophobicContact CE2-CG2 4.4Å; F1067-I1129 HydrophobicContact CZ-CG2 4.28Å; M1069-I1129 HydrophobicContact CE-CD1 3.86Å; M1069-I1129 HydrophobicContact SD-CD1 3.84Å; M1069-I1129 HydrophobicContact SD-CG1 4.03Å; M1069-I1129 HydrophobicContact SD-CG2 4.23Å; F1071-I1129 HydrophobicContact CE1-CD1 4.46Å; F1071-I1129 HydrophobicContact CZ-CD1 3.97Å; F1071-I1129 HydrophobicContact CZ-CG1 4.04Å; V1125-I1129 WeakPolarHBondContact O-CG1 3.21Å; V1125-I1129 PolarHBondContact O-N 3.35Å; V1125-I1129 VanDerWaalsContact O-N 3.13Å; F1126-I1129 PolarHBondContact O-N 3.32Å; W1127-I1129 PolarHBondContact O-N 3.35Å; I1129-N1131 VanDerWaalsContact C-N 3.27Å; I1129-N1131 PolarHBondContact O-N 3.31Å; I1129-R1132 PolarHBondContact O-N 3.03Å; I1129-I1140 HydrophobicContact CG2-CD1 4.06Å
1130K93.2Very high92.2Very high65 Ų6531 Ų3128%0.28314%0.141SC..Hα-helixtrans-63-35.6176.9-176.9172.9-177.7169.90112F1126 W1127 D1128 R1132 L1133 I1140F1126-K1130 HydrophobicContact CE1-CB 4.47Å; F1126-K1130 HydrophobicContact CE1-CD 3.82Å; F1126-K1130 HydrophobicContact CZ-CD 4.25Å; F1126-K1130 VanDerWaalsContact O-CB 3.24Å; F1126-K1130 WeakPolarHBondContact O-CB 3.2Å; F1126-K1130 PolarHBondContact O-N 3.13Å; W1127-K1130 PolarHBondContact O-N 3.49Å; D1128-K1130 VanDerWaalsContact C-N 3.33Å; D1128-K1130 PolarHBondContact O-N 2.95Å; K1130-R1132 VanDerWaalsContact C-N 3.28Å; K1130-R1132 PolarHBondContact O-N 2.93Å; K1130-L1133 PolarHBondContact O-N 3.03Å; K1130-I1140 VanDerWaalsContact CE-O 3.32Å; K1130-I1140 WeakPolarHBondContact CE-O 3.4Å; K1130-I1140 PolarHBondContact NZ-O 3.47Å
1131N92.2Very high92.1Very high97 Ų9734 Ų3452%0.51916%0.157SC..Hα-helixtrans-74.1-17.6-179-68.1-21000113.3W1127 D1128 I1129 L1133W1127-N1131 VanDerWaalsContact CZ2-ND2 3.34Å; W1127-N1131 WeakPolarHBondContact CZ2-ND2 3.35Å; W1127-N1131 PolarHBondContact NE1-ND2 3.26Å; W1127-N1131 VanDerWaalsContact O-CG 3.25Å; W1127-N1131 PolarHBondContact O-N 3.28Å; W1127-N1131 VanDerWaalsContact O-N 3.09Å; W1127-N1131 PolarHBondContact O-ND2 3.21Å; D1128-N1131 PolarHBondContact O-N 2.96Å; I1129-N1131 VanDerWaalsContact C-N 3.27Å; I1129-N1131 PolarHBondContact O-N 3.31Å; N1131-L1133 VanDerWaalsContact C-N 3.26Å; N1131-L1133 PolarHBondContact O-N 3.24Å
1132R91.7Very high91.9Very high81 Ų8135.9 Ų35.931%0.30616%0.164SC..THydrogen-bonded Turntrans-74-11.8176.4-61.7-178.6-169.1-151.8-3.9114.1V1024 D1128 I1129 K1130V1024-R1132 VanDerWaalsContact O-CD 3.3Å; V1024-R1132 WeakPolarHBondContact O-CD 3.49Å; V1024-R1132 PolarHBondContact O-NH1 2.82Å; D1128-R1132 PolarHBondContact O-N 3.2Å; D1128-R1132 IonicContact OD2-CZ 2.81Å; D1128-R1132 IonicContact OD2-NE 3.77Å; D1128-R1132 PolarHBondContact OD2-NE 2.87Å; D1128-R1132 IonicContact OD2-NH2 3.19Å; D1128-R1132 PolarHBondContact OD2-NH2 2.86Å; I1129-R1132 PolarHBondContact O-N 3.03Å; K1130-R1132 VanDerWaalsContact C-N 3.28Å; K1130-R1132 PolarHBondContact O-N 2.93Å
1133L90.6Very high91.6Very high14 Ų1442.7 Ų42.77%0.07320%0.2CC..SBendtrans-114.9122.9-172.9-69.2172.2000112.6F953 L1020 L1023 V1024 K1130 N1131 R1135 T1138 I1140F953-L1133 HydrophobicContact CD1-CD1 4Å; F953-L1133 HydrophobicContact CE1-CD1 3.68Å; F953-L1133 HydrophobicContact CE1-CD2 4.48Å; L1020-L1133 HydrophobicContact CD2-CD2 4Å; L1023-L1133 HydrophobicContact CB-CD2 4.17Å; L1023-L1133 HydrophobicContact CD1-CD2 4.39Å; V1024-L1133 HydrophobicContact CG2-CD1 4.1Å; V1024-L1133 HydrophobicContact CG2-CD2 3.88Å; V1024-L1133 HydrophobicContact CG2-CG 4.1Å; K1130-L1133 PolarHBondContact O-N 3.03Å; N1131-L1133 VanDerWaalsContact C-N 3.26Å; N1131-L1133 PolarHBondContact O-N 3.24Å; L1133-R1135 PolarHBondContact O-N 3.15Å; L1133-T1138 HydrophobicContact CB-CG2 4.26Å; L1133-T1138 HydrophobicContact CD1-CG2 3.97Å; L1133-T1138 HydrophobicContact CD2-CG2 4.12Å; L1133-T1138 HydrophobicContact CG-CG2 4.36Å; L1133-I1140 HydrophobicContact CD1-CD1 3.38Å; L1133-I1140 HydrophobicContact CD1-CG1 3.85Å
1134P90.3Very high91.2Very high30 Ų3043.5 Ų43.520%0.19521%0.211CC..  trans-63.9129.6171.4-2233.3000111.7E777 S1136 V1137 T1138E777-P1134 HydrophobicContact CG-CB 4.45Å; P1134-S1136 PolarHBondContact O-N 2.92Å; P1134-V1137 HydrophobicContact CB-CG2 4.3Å; P1134-V1137 PolarHBondContact O-N 3.48Å; P1134-V1137 VanDerWaalsContact O-N 3.09Å; P1134-T1138 PolarHBondContact O-N 2.8Å; P1134-T1138 VanDerWaalsContact O-N 3.15Å
1135R89.9Confident91Very high184 Ų18443.8 Ų43.869%0.69421%0.213SC*.THydrogen-bonded Turntrans-61.8-24.6178.3-68-175.1-175.2178.64.2112.9K959 L1133 V1137 T1138K959-R1135 PolarHBondContact NZ-O 2.92Å; L1133-R1135 PolarHBondContact O-N 3.15Å; R1135-V1137 VanDerWaalsContact C-N 3.27Å; R1135-V1137 PolarHBondContact O-N 3.49Å; R1135-T1138 VanDerWaalsContact CA-O 3.28Å; R1135-T1138 WeakPolarHBondContact CA-O 3.44Å
1136S88.8Confident90.9Very high14 Ų1444.5 Ų44.510%0.09822%0.216CC..THydrogen-bonded Turntrans-62.9-34.4176.555.40000112.2Y772 E777 P1134Y772-S1136 WeakPolarHBondContact O-CB 3.5Å; E777-S1136 WeakPolarHBondContact OE2-CB 3.12Å; E777-S1136 PolarHBondContact OE2-OG 3.16Å; P1134-S1136 PolarHBondContact O-N 2.92Å
1137V88.8Confident91Very high2 Ų243.8 Ų43.81%0.01221%0.213CC..THydrogen-bonded Turntrans-90.1-54-178.6179.40000111.7V773 I781 K959 Y1016 L1020 P1134 R1135V773-V1137 HydrophobicContact CG2-CG2 4.27Å; I781-V1137 HydrophobicContact CD1-CG2 3.63Å; K959-V1137 WeakPolarHBondContact CB-O 3.17Å; Y1016-V1137 HydrophobicContact CE1-CG1 3.81Å; Y1016-V1137 WeakPolarHBondContact OH-CG1 3.22Å; L1020-V1137 HydrophobicContact CD2-CG1 3.53Å; L1020-V1137 HydrophobicContact CG-CG1 4.49Å; P1134-V1137 HydrophobicContact CB-CG2 4.3Å; P1134-V1137 PolarHBondContact O-N 3.48Å; P1134-V1137 VanDerWaalsContact O-N 3.09Å; R1135-V1137 VanDerWaalsContact C-N 3.27Å; R1135-V1137 PolarHBondContact O-N 3.49Å
1138T91.9Very high91Very high0 Ų042 Ų420%021%0.206CC..  trans-155.9171.3-178-169.40000110.3F953 E954 L1020 L1133 P1134 R1135F953-T1138 WeakPolarHBondContact CB-OG1 3.26Å; F953-T1138 HydrophobicContact CD1-CG2 4.07Å; E954-T1138 PolarHBondContact N-OG1 3.29Å; E954-T1138 PolarHBondContact O-OG1 3.11Å; L1020-T1138 HydrophobicContact CD1-CG2 4.11Å; L1020-T1138 HydrophobicContact CD2-CG2 3.81Å; L1133-T1138 HydrophobicContact CB-CG2 4.26Å; L1133-T1138 HydrophobicContact CD1-CG2 3.97Å; L1133-T1138 HydrophobicContact CD2-CG2 4.12Å; L1133-T1138 HydrophobicContact CG-CG2 4.36Å; P1134-T1138 PolarHBondContact O-N 2.8Å; P1134-T1138 VanDerWaalsContact O-N 3.15Å; R1135-T1138 VanDerWaalsContact CA-O 3.28Å; R1135-T1138 WeakPolarHBondContact CA-O 3.44Å
1139T89.5Confident91Very high28 Ų2840.4 Ų40.417%0.17220%0.198CC..BIsolated β-bridgetrans-138.3159.3171.2-171.70000110.3E954E954-T1139 HydrophobicContact CB-CG2 3.77Å; E954-T1139 WeakPolarHBondContact CB-O 3.36Å; E954-T1139 PolarHBondContact N-O 3.01Å
1140I90.9Very high91.1Very high3 Ų340.4 Ų40.42%0.01520%0.198CC..  trans-120.6125.6170.7-64.1174.6000108.4T951 F1067 F1126 I1129 K1130 L1133T951-I1140 HydrophobicContact CG2-CD1 4.18Å; T951-I1140 HydrophobicContact CG2-CG2 4.33Å; T951-I1140 WeakPolarHBondContact OG1-CG2 3.17Å; F1067-I1140 HydrophobicContact CE1-CD1 4.04Å; F1067-I1140 HydrophobicContact CZ-CD1 3.67Å; F1126-I1140 HydrophobicContact CD2-CG2 4.31Å; F1126-I1140 HydrophobicContact CE2-CG2 3.35Å; F1126-I1140 HydrophobicContact CZ-CG2 3.71Å; I1129-I1140 HydrophobicContact CG2-CD1 4.06Å; K1130-I1140 VanDerWaalsContact CE-O 3.32Å; K1130-I1140 WeakPolarHBondContact CE-O 3.4Å; K1130-I1140 PolarHBondContact NZ-O 3.47Å; L1133-I1140 HydrophobicContact CD1-CD1 3.38Å; L1133-I1140 HydrophobicContact CD1-CG1 3.85Å
1141D90.3Very high91.1Very high72 Ų7237.4 Ų37.439%0.38519%0.185SC..  trans-108142.9-179.6-65.5-20.1000110.3D1143 S1144 S1145D1141-D1143 VanDerWaalsContact C-N 3.34Å; D1141-S1144 PolarHBondContact O-OG 2.83Å; D1141-S1145 PolarHBondContact O-N 3.49Å; D1141-S1145 PolarHBondContact O-OG 3.24Å
1142W90.9Very high91Very high38 Ų3839.5 Ų39.514%0.14419%0.19CC..SBendtrans-70.8-31.4-178.5178.9-99.3000112.1G1099 Y1100 N1101 R1123 F1126 S1144 S1145 V1147G1099-W1142 PolarHBondContact O-NE1 3.07Å; Y1100-W1142 AromaticContact CD2-CH2 3.95Å; Y1100-W1142 HydrophobicContact CD2-CH2 3.95Å; Y1100-W1142 AromaticContact CD2-CZ2 3.62Å; Y1100-W1142 HydrophobicContact CD2-CZ2 3.62Å; Y1100-W1142 AromaticContact CE2-CH2 3.72Å; Y1100-W1142 HydrophobicContact CE2-CH2 3.72Å; Y1100-W1142 AromaticContact CE2-CZ2 3.88Å; Y1100-W1142 HydrophobicContact CE2-CZ2 3.88Å; Y1100-W1142 HydrophobicContact CG-CZ2 4.21Å; N1101-W1142 PolarHBondContact ND2-O 3.27Å; N1101-W1142 VanDerWaalsContact ND2-O 3.12Å; R1123-W1142 HydrophobicContact CG-CH2 3.96Å; R1123-W1142 HydrophobicContact CG-CZ2 4.26Å; R1123-W1142 HydrophobicContact CG-CZ3 4.47Å; F1126-W1142 HydrophobicContact CB-CE3 3.91Å; F1126-W1142 HydrophobicContact CB-CZ3 3.55Å; F1126-W1142 AromaticContact CD1-CE3 3.53Å; F1126-W1142 HydrophobicContact CD1-CE3 3.53Å; F1126-W1142 HydrophobicContact CD1-CZ3 4.07Å; F1126-W1142 AromaticContact CD2-CE3 3.7Å; F1126-W1142 HydrophobicContact CD2-CE3 3.7Å; F1126-W1142 HydrophobicContact CD2-CZ3 4.07Å; F1126-W1142 HydrophobicContact CE1-CB 4.05Å; F1126-W1142 AromaticContact CE1-CE3 3.9Å; F1126-W1142 HydrophobicContact CE1-CE3 3.9Å; F1126-W1142 HydrophobicContact CE2-CE3 4.04Å; F1126-W1142 AromaticContact CG-CE3 3.42Å; F1126-W1142 HydrophobicContact CG-CE3 3.42Å; F1126-W1142 VanDerWaalsContact CG-CE3 3.42Å; F1126-W1142 AromaticContact CG-CZ3 3.64Å; F1126-W1142 HydrophobicContact CG-CZ3 3.64Å; F1126-W1142 HydrophobicContact CZ-CB 3.92Å; F1126-W1142 HydrophobicContact CZ-CE3 4.14Å; W1142-S1144 VanDerWaalsContact C-N 3.27Å; W1142-S1144 PolarHBondContact O-N 3.17Å; W1142-S1145 WeakPolarHBondContact CA-OG 3.36Å; W1142-S1145 PolarHBondContact O-N 3.38Å; W1142-S1145 PolarHBondContact O-OG 2.94Å; W1142-S1145 VanDerWaalsContact O-OG 3.13Å; W1142-V1147 HydrophobicContact CH2-CG2 4.17Å; W1142-V1147 HydrophobicContact CZ3-CG2 3.92Å
1143D86.6Confident90.8Very high143 Ų14338.2 Ų38.277%0.76519%0.189SC*.THydrogen-bonded Turntrans-69.2-25.3-178.7-66.7-19.4000113.2D1141D1141-D1143 VanDerWaalsContact C-N 3.34Å
1144S84.9Confident90.8Very high53 Ų5337.5 Ų37.537%0.37119%0.185SC..THydrogen-bonded Turntrans-98.9-1.517659.40000113.3E954 D1141 W1142E954-S1144 PolarHBondContact OE1-OG 3.21Å; D1141-S1144 PolarHBondContact O-OG 2.83Å; W1142-S1144 VanDerWaalsContact C-N 3.27Å; W1142-S1144 PolarHBondContact O-N 3.17Å
1145S91Very high90.7Very high6 Ų636.9 Ų36.94%0.04218%0.181CC..  trans-106.5159.9178.273.40000112.5E950 F1126 D1141 W1142E950-S1145 VanDerWaalsContact O-CA 3.27Å; E950-S1145 WeakPolarHBondContact O-CA 3.38Å; E950-S1145 WeakPolarHBondContact O-CB 3.46Å; F1126-S1145 WeakPolarHBondContact CD2-OG 3.21Å; F1126-S1145 WeakPolarHBondContact CE2-OG 3.45Å; D1141-S1145 PolarHBondContact O-N 3.49Å; D1141-S1145 PolarHBondContact O-OG 3.24Å; W1142-S1145 WeakPolarHBondContact CA-OG 3.36Å; W1142-S1145 PolarHBondContact O-N 3.38Å; W1142-S1145 PolarHBondContact O-OG 2.94Å; W1142-S1145 VanDerWaalsContact O-OG 3.13Å
1146F92.9Very high90.8Very high17 Ų1728.5 Ų28.58%0.07515%0.15CC..EExtended strand (participates in β ladder)trans-138.6135.9173.8176.5-104.6000109.5E950 N1101 K1103 L1158E950-F1146 HydrophobicContact CB-CB 4.49Å; E950-F1146 PolarHBondContact N-O 2.85Å; E950-F1146 PolarHBondContact O-N 3.3Å; N1101-F1146 WeakPolarHBondContact O-CD2 3.39Å; N1101-F1146 WeakPolarHBondContact O-CE2 3.16Å; K1103-F1146 HydrophobicContact CD-CD1 4.12Å; K1103-F1146 HydrophobicContact CD-CE1 3.58Å; K1103-F1146 HydrophobicContact CD-CE2 4.32Å; K1103-F1146 HydrophobicContact CD-CZ 3.71Å; K1103-F1146 VanDerWaalsContact CE-CD1 3.42Å; K1103-F1146 HydrophobicContact CG-CD1 4.47Å; K1103-F1146 HydrophobicContact CG-CD2 4.27Å; K1103-F1146 HydrophobicContact CG-CE1 4.06Å; K1103-F1146 HydrophobicContact CG-CE2 3.88Å; K1103-F1146 HydrophobicContact CG-CZ 3.75Å; F1146-L1158 HydrophobicContact CE1-CB 3.95Å; F1146-L1158 WeakPolarHBondContact CE1-O 3.41Å; F1146-L1158 HydrophobicContact CZ-CB 4.12Å
1147V94.5Very high91.1Very high1 Ų127.8 Ų27.81%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-123133.9176.8-173.20000108.4V947 L948 L949 Y1100 F1126 W1142V947-V1147 HydrophobicContact CG1-CG1 3.47Å; V947-V1147 VanDerWaalsContact CG1-CG1 3.47Å; L948-V1147 WeakPolarHBondContact O-CA 3.16Å; L949-V1147 HydrophobicContact CD1-CG2 3.65Å; Y1100-V1147 PolarHBondContact OH-O 3.19Å; F1126-V1147 HydrophobicContact CB-CG2 4.43Å; W1142-V1147 HydrophobicContact CH2-CG2 4.17Å; W1142-V1147 HydrophobicContact CZ3-CG2 3.92Å
1148S94.4Very high91.3Very high0 Ų027.7 Ų27.70%015%0.145CC..EExtended strand (participates in β ladder)trans-122.3131.3174.1-174.30000109.3V947 L948 L1158V947-S1148 WeakPolarHBondContact CA-O 3.32Å; L948-S1148 PolarHBondContact N-O 3.23Å; L948-S1148 PolarHBondContact O-N 3.45Å; S1148-L1158 WeakPolarHBondContact CB-O 3.48Å; S1148-L1158 PolarHBondContact OG-N 3.01Å
1149V95Very high91.4Very high0 Ų027.7 Ų27.70%015%0.145CC..EExtended strand (participates in β ladder)trans-110.3127.4174.2-173.20000109.4C945 N946 V947 M1112 D1118 L1121 N1154C945-V1149 HydrophobicContact CB-CG1 4.33Å; N946-V1149 CarbonylContact O-C 3.49Å; N946-V1149 VanDerWaalsContact O-CA 3.31Å; N946-V1149 WeakPolarHBondContact O-CA 3.41Å; V947-V1149 HydrophobicContact CG1-CG2 4.36Å; V947-V1149 HydrophobicContact CG2-CG1 4.3Å; V947-V1149 HydrophobicContact CG2-CG2 4.14Å; M1112-V1149 HydrophobicContact CE-CB 3.81Å; M1112-V1149 HydrophobicContact CE-CG2 3.75Å; M1112-V1149 HydrophobicContact SD-CB 4.48Å; M1112-V1149 PolarHBondContact SD-N 3.39Å; D1118-V1149 HydrophobicContact CB-CB 4.01Å; D1118-V1149 HydrophobicContact CB-CG1 4.1Å; D1118-V1149 HydrophobicContact CB-CG2 4.32Å; D1118-V1149 WeakPolarHBondContact O-CG2 3.33Å; L1121-V1149 HydrophobicContact CD2-CG1 4.07Å; V1149-N1154 WeakPolarHBondContact O-CB 3.45Å
1150Y94.8Very high91.5Very high0 Ų026.7 Ų26.70%014%0.139CC..EExtended strand (participates in β ladder)trans-101.9123.3165.7167.7-88.1000107.9W938 T940 C945 N946 N1154 P1155 P1170 R1173W938-Y1150 HydrophobicContact CE3-CD1 4.38Å; W938-Y1150 HydrophobicContact CE3-CE1 4.02Å; W938-Y1150 HydrophobicContact CE3-CE2 4.34Å; W938-Y1150 PolarHBondContact O-OH 3.22Å; T940-Y1150 HydrophobicContact CG2-CD1 4.08Å; T940-Y1150 HydrophobicContact CG2-CE1 3.48Å; T940-Y1150 VanDerWaalsContact CG2-CE1 3.48Å; C945-Y1150 WeakPolarHBondContact CA-O 3.41Å; N946-Y1150 HydrophobicContact CB-CD1 4.29Å; N946-Y1150 PolarHBondContact N-O 2.85Å; N946-Y1150 VanDerWaalsContact ND2-CD1 3.26Å; N946-Y1150 WeakPolarHBondContact ND2-CD1 3.42Å; N946-Y1150 PolarHBondContact O-N 2.84Å; Y1150-N1154 WeakPolarHBondContact CD2-O 3.26Å; Y1150-P1155 WeakPolarHBondContact CE2-O 3.2Å; Y1150-P1170 HydrophobicContact CE2-CG 3.93Å; Y1150-R1173 HydrophobicContact CE2-CG 4.26Å; Y1150-R1173 VanDerWaalsContact OH-CG 3.28Å; Y1150-R1173 WeakPolarHBondContact OH-CG 3.15Å
1151S92.4Very high91.6Very high2 Ų226.6 Ų26.61%0.01414%0.139CC..SBendtrans-144.9-178.7-171.470.40000109.3D1118 D1153 N1154 R1173D1118-S1151 WeakPolarHBondContact OD1-CB 3.38Å; D1118-S1151 PolarHBondContact OD1-OG 2.65Å; D1118-S1151 PolarHBondContact OD2-OG 3.11Å; S1151-D1153 PolarHBondContact O-N 3.41Å; S1151-D1153 VanDerWaalsContact O-N 3.15Å; S1151-D1153 PolarHBondContact OG-N 3.4Å; S1151-N1154 PolarHBondContact N-O 2.94Å; S1151-N1154 CarbonylContact O-C 3.58Å; S1151-N1154 PolarHBondContact O-N 3.46Å; S1151-N1154 PolarHBondContact OG-N 2.89Å; S1151-N1154 VanDerWaalsContact OG-N 3.15Å; S1151-R1173 PolarHBondContact O-NH1 3.05Å; S1151-R1173 PolarHBondContact O-NH2 3.49Å; S1151-R1173 VanDerWaalsContact O-NH2 3.08Å
1152K90.5Very high91.6Very high142 Ų14224.1 Ų24.162%0.61713%0.127SC*.SBendtrans-54.1-30.917067-179.3-177.5-179.90113.1R1173K1152-R1173 PolarHBondContact O-NH2 3.24Å
1153D87.8Confident91.6Very high53 Ų5322.7 Ų22.728%0.28312%0.124SC..SBendtrans-91.5-31.4-178.9-63.9-37.8000112.5R1113 M1115 S1151 P1155R1113-D1153 WeakPolarHBondContact CD-O 3.46Å; R1113-D1153 PolarHBondContact NH1-O 2.68Å; M1115-D1153 HydrophobicContact CG-CB 3.86Å; S1151-D1153 PolarHBondContact O-N 3.41Å; S1151-D1153 VanDerWaalsContact O-N 3.15Å; S1151-D1153 PolarHBondContact OG-N 3.4Å; D1153-P1155 WeakPolarHBondContact O-CD 3.29Å
1154N90.1Very high92Very high0 Ų015.9 Ų15.90%09%0.087CC..  trans-102.3105.3-177.1-88.9-49.7000112.4R1113 D1118 V1149 Y1150 S1151R1113-N1154 WeakPolarHBondContact CA-OD1 3.49Å; R1113-N1154 VanDerWaalsContact CB-OD1 3.22Å; R1113-N1154 WeakPolarHBondContact CB-OD1 3.37Å; R1113-N1154 PolarHBondContact N-OD1 2.96Å; R1113-N1154 PolarHBondContact O-ND2 2.94Å; D1118-N1154 PolarHBondContact OD2-ND2 3.02Å; V1149-N1154 WeakPolarHBondContact O-CB 3.45Å; Y1150-N1154 WeakPolarHBondContact CD2-O 3.26Å; S1151-N1154 PolarHBondContact N-O 2.94Å; S1151-N1154 CarbonylContact O-C 3.58Å; S1151-N1154 PolarHBondContact O-N 3.46Å; S1151-N1154 PolarHBondContact OG-N 2.89Å; S1151-N1154 VanDerWaalsContact OG-N 3.15Å
1155P89.7Confident92.3Very high17 Ų1713.8 Ų13.811%0.117%0.072CC..  trans-80.8-13.5-176.832-36000114.3Y1150 D1153 L1169 R1173Y1150-P1155 WeakPolarHBondContact CE2-O 3.2Å; D1153-P1155 WeakPolarHBondContact O-CD 3.29Å; P1155-L1169 HydrophobicContact CB-CD1 4.32Å; P1155-R1173 HydrophobicContact CB-CB 4.28Å
1156N91.8Very high92.5Very high7 Ų713.5 Ų13.54%0.0377%0.07CC..  trans-111.2138.1-173.1-65.2-60.1000111.1S1110 L1158 R1167S1110-N1156 WeakPolarHBondContact CA-ND2 3.42Å; S1110-N1156 PolarHBondContact O-ND2 2.89Å; N1156-L1158 HydrophobicContact CB-CD2 4.48Å; N1156-R1167 HydrophobicContact CB-CG 4.13Å; N1156-R1167 WeakPolarHBondContact OD1-CD 3.3Å
1157L93.7Very high92.4Very high0 Ų013.4 Ų13.40%07%0.069CC..EExtended strand (participates in β ladder)trans-105120.8166.5-172.873.8000109.5I931 W938 L948 F1070 R1167 I1168I931-L1157 HydrophobicContact CD1-CD2 4.2Å; I931-L1157 HydrophobicContact CG2-CD2 4.11Å; W938-L1157 HydrophobicContact CH2-CD2 4.21Å; W938-L1157 HydrophobicContact CZ3-CB 4.48Å; W938-L1157 HydrophobicContact CZ3-CD2 4.38Å; L948-L1157 HydrophobicContact CB-CD1 4.02Å; L948-L1157 HydrophobicContact CD1-CD2 4.33Å; L948-L1157 HydrophobicContact CD1-CG 4.47Å; F1070-L1157 HydrophobicContact CD2-CD2 4.24Å; F1070-L1157 HydrophobicContact CE2-CD1 4.34Å; F1070-L1157 HydrophobicContact CE2-CD2 3.64Å; L1157-R1167 WeakPolarHBondContact O-CA 3.44Å; L1157-I1168 HydrophobicContact CB-CB 4.43Å; L1157-I1168 PolarHBondContact N-O 3.16Å; L1157-I1168 VanDerWaalsContact N-O 3.07Å; L1157-I1168 PolarHBondContact O-N 3.36Å
1158L94.2Very high92.4Very high0 Ų013.3 Ų13.30%07%0.068CC..EExtended strand (participates in β ladder)trans-114.3142.5-173.6-58.1172.2000111.6K1103 W1106 M1112 F1146 S1148 N1156 C1166 R1167K1103-L1158 HydrophobicContact CD-CB 4.02Å; W1106-L1158 HydrophobicContact CG-CD2 4.49Å; M1112-L1158 HydrophobicContact CB-CD1 4.38Å; F1146-L1158 HydrophobicContact CE1-CB 3.95Å; F1146-L1158 WeakPolarHBondContact CE1-O 3.41Å; F1146-L1158 HydrophobicContact CZ-CB 4.12Å; S1148-L1158 WeakPolarHBondContact CB-O 3.48Å; S1148-L1158 PolarHBondContact OG-N 3.01Å; N1156-L1158 HydrophobicContact CB-CD2 4.48Å; L1158-C1166 WeakPolarHBondContact CA-O 3.27Å; L1158-R1167 HydrophobicContact CD2-CB 3.61Å; L1158-R1167 HydrophobicContact CD2-CG 3.67Å
1159F93.7Very high92.3Very high0 Ų014.5 Ų14.50%07%0.074CC..EExtended strand (participates in β ladder)trans-162162.1171.662.2-81.1000111.5W927 L948 K1103 M1161 C1166 I1168W927-F1159 AromaticContact CD1-CE2 3.59Å; W927-F1159 AromaticContact CD1-CZ 3.66Å; L948-F1159 HydrophobicContact CD1-CB 3.66Å; L948-F1159 HydrophobicContact CD1-CD1 3.66Å; L948-F1159 HydrophobicContact CD1-CE1 4.44Å; L948-F1159 HydrophobicContact CD1-CG 3.74Å; L948-F1159 HydrophobicContact CD2-CB 3.45Å; L948-F1159 VanDerWaalsContact CD2-CB 3.45Å; L948-F1159 HydrophobicContact CD2-CG 4.38Å; L948-F1159 HydrophobicContact CG-CB 4.2Å; K1103-F1159 VanDerWaalsContact CE-C 3.5Å; F1159-M1161 HydrophobicContact CD2-CB 4.02Å; F1159-M1161 HydrophobicContact CE2-CB 4.05Å; F1159-C1166 HydrophobicContact CD1-CB 4.07Å; F1159-C1166 HydrophobicContact CD2-CB 4.25Å; F1159-C1166 HydrophobicContact CE1-CB 3.59Å; F1159-C1166 HydrophobicContact CE2-CB 3.79Å; F1159-C1166 HydrophobicContact CG-CB 4.37Å; F1159-C1166 HydrophobicContact CZ-CB 3.44Å; F1159-C1166 VanDerWaalsContact CZ-CB 3.44Å; F1159-C1166 PolarHBondContact N-O 2.95Å; F1159-C1166 VanDerWaalsContact N-O 3.15Å; F1159-C1166 PolarHBondContact O-N 2.82Å; F1159-I1168 HydrophobicContact CE1-CD1 3.89Å; F1159-I1168 HydrophobicContact CE1-CG1 4.17Å
1160A92.3Very high92.1Very high7 Ų714.5 Ų14.56%0.0587%0.074CC..EExtended strand (participates in β ladder)trans-116.9132.4164.900000110.9E950 W1068 K1103 F1164E950-A1160 VanDerWaalsContact OE1-O 3.12Å; E950-A1160 WeakPolarHBondContact OE2-CA 3.43Å; E950-A1160 PolarHBondContact OE2-N 2.7Å; W1068-A1160 PolarHBondContact NE1-O 3.37Å; K1103-A1160 VanDerWaalsContact NZ-CB 3.27Å; A1160-F1164 CarbonylContact C-O 3.5Å; A1160-F1164 WeakPolarHBondContact CA-O 3.49Å
1161M92.2Very high91.6Very high1 Ų117 Ų171%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-139.8131.2179.9-167.5-175.6-161.100109.7L923 V924 W927 C1061 W1068 F1159 G1163 F1164L923-M1161 HydrophobicContact CD1-CE 4.25Å; L923-M1161 HydrophobicContact CD2-CE 3.75Å; L923-M1161 HydrophobicContact CG-CE 3.68Å; L923-M1161 HydrophobicContact CG-SD 4.47Å; V924-M1161 HydrophobicContact CG2-CB 4.02Å; V924-M1161 HydrophobicContact CG2-CG 4.03Å; V924-M1161 HydrophobicContact CG2-SD 4.09Å; W927-M1161 HydrophobicContact CB-SD 3.95Å; W927-M1161 HydrophobicContact CG-SD 3.99Å; C1061-M1161 HydrophobicContact CB-CE 4.21Å; C1061-M1161 VanDerWaalsContact SG-CE 3.52Å; W1068-M1161 HydrophobicContact CD2-CE 4.21Å; W1068-M1161 HydrophobicContact CD2-CG 4.14Å; W1068-M1161 HydrophobicContact CE3-CE 3.75Å; W1068-M1161 HydrophobicContact CE3-CG 4.35Å; W1068-M1161 HydrophobicContact CH2-CE 4.46Å; W1068-M1161 HydrophobicContact CH2-CG 3.91Å; W1068-M1161 HydrophobicContact CZ2-CB 4.08Å; W1068-M1161 HydrophobicContact CZ2-CG 3.67Å; W1068-M1161 HydrophobicContact CZ3-CE 3.89Å; W1068-M1161 HydrophobicContact CZ3-CG 4.24Å; F1159-M1161 HydrophobicContact CD2-CB 4.02Å; F1159-M1161 HydrophobicContact CE2-CB 4.05Å; M1161-G1163 PolarHBondContact O-N 2.73Å; M1161-F1164 PolarHBondContact N-O 2.84Å; M1161-F1164 WeakPolarHBondContact O-CB 3.5Å; M1161-F1164 PolarHBondContact O-N 3.39Å
1162C90.4Very high91.2Very high20 Ų2021 Ų2114%0.13512%0.119CC..THydrogen-bonded Turntrans53.623.6179.5-60.60000114.6P920 V924 F1164 Y1247P920-C1162 HydrophobicContact CB-CB 3.92Å; V924-C1162 HydrophobicContact CG2-CB 4.03Å; C1162-F1164 VanDerWaalsContact C-N 3.35Å; C1162-F1164 HydrophobicContact CB-CD2 4.44Å; C1162-Y1247 WeakPolarHBondContact O-CE1 3.31Å; C1162-Y1247 PolarHBondContact O-OH 3.09Å
1163G90.6Very high91Very high8 Ų817 Ų178%0.08210%0.1CC..THydrogen-bonded Turntrans83.24.3-176.600000115.2M1161 D1207 Y1248M1161-G1163 PolarHBondContact O-N 2.73Å; G1163-D1207 VanDerWaalsContact O-CB 3.29Å; G1163-D1207 WeakPolarHBondContact O-CB 3.29Å; G1163-D1207 PolarHBondContact O-N 3.21Å; G1163-Y1248 VanDerWaalsContact O-CE1 3.24Å; G1163-Y1248 WeakPolarHBondContact O-CE1 3.25Å
1164F94.3Very high90.4Very high0 Ų016.3 Ų16.30%010%0.1CC..EExtended strand (participates in β ladder)trans-88.6143.3161.7-64-95.5000109.1P921 V924 A1160 M1161 C1162 Y1247 Y1248 A1251P921-F1164 HydrophobicContact CB-CE2 4.18Å; P921-F1164 HydrophobicContact CB-CZ 4.04Å; P921-F1164 HydrophobicContact CG-CE2 3.98Å; P921-F1164 HydrophobicContact CG-CZ 3.97Å; V924-F1164 HydrophobicContact CG1-CB 4.45Å; V924-F1164 HydrophobicContact CG2-CD2 4.02Å; A1160-F1164 CarbonylContact C-O 3.5Å; A1160-F1164 WeakPolarHBondContact CA-O 3.49Å; M1161-F1164 PolarHBondContact N-O 2.84Å; M1161-F1164 WeakPolarHBondContact O-CB 3.5Å; M1161-F1164 PolarHBondContact O-N 3.39Å; C1162-F1164 VanDerWaalsContact C-N 3.35Å; C1162-F1164 HydrophobicContact CB-CD2 4.44Å; F1164-Y1247 HydrophobicContact CE2-CD1 4.34Å; F1164-Y1247 AromaticContact CE2-CE1 3.81Å; F1164-Y1247 HydrophobicContact CE2-CE1 3.81Å; F1164-Y1247 HydrophobicContact CZ-CD1 4.48Å; F1164-Y1247 HydrophobicContact CZ-CE1 4.39Å; F1164-Y1247 WeakPolarHBondContact CZ-O 3.41Å; F1164-Y1248 HydrophobicContact CD1-CD1 4.01Å; F1164-Y1248 HydrophobicContact CD2-CD1 4.45Å; F1164-Y1248 HydrophobicContact CD2-CE1 4.36Å; F1164-Y1248 AromaticContact CE1-CD1 3.72Å; F1164-Y1248 HydrophobicContact CE1-CD1 3.72Å; F1164-Y1248 HydrophobicContact CE2-CD1 4.17Å; F1164-Y1248 HydrophobicContact CE2-CE1 4.28Å; F1164-Y1248 HydrophobicContact CG-CD1 4.38Å; F1164-Y1248 AromaticContact CZ-CD1 3.81Å; F1164-Y1248 HydrophobicContact CZ-CD1 3.81Å; F1164-Y1248 HydrophobicContact CZ-CE1 4.37Å; F1164-A1251 HydrophobicContact CD1-CB 3.99Å; F1164-A1251 HydrophobicContact CE1-CB 4.12Å
1165E92.5Very high89.2Confident9 Ų921.4 Ų21.44%0.04213%0.133CC..EExtended strand (participates in β ladder)trans-113.5117.9172.7-170.2154-148.700108.4K1103 C1105 L1204 R1205K1103-E1165 HydrophobicContact CD-CG 4.24Å; K1103-E1165 WeakPolarHBondContact CD-OE1 3.34Å; K1103-E1165 WeakPolarHBondContact CE-OE1 3.45Å; K1103-E1165 WeakPolarHBondContact CG-OE1 3.36Å; K1103-E1165 IonicContact NZ-OE1 3.68Å; K1103-E1165 PolarHBondContact NZ-OE1 3.05Å; C1105-E1165 PolarHBondContact SG-OE1 2.79Å; C1105-E1165 PolarHBondContact SG-OE2 3.3Å; E1165-L1204 CarbonylContact O-C 3.55Å; E1165-R1205 HydrophobicContact CB-CB 4.34Å; E1165-R1205 PolarHBondContact N-O 3.2Å; E1165-R1205 PolarHBondContact O-N 3.11Å
1166C93.9Very high87.5Confident0 Ų024.2 Ų24.20%017%0.165CC..EExtended strand (participates in β ladder)trans-114.6139.7-166.6-60.80000110.2L1158 F1159 F1203L1158-C1166 WeakPolarHBondContact CA-O 3.27Å; F1159-C1166 HydrophobicContact CD1-CB 4.07Å; F1159-C1166 HydrophobicContact CD2-CB 4.25Å; F1159-C1166 HydrophobicContact CE1-CB 3.59Å; F1159-C1166 HydrophobicContact CE2-CB 3.79Å; F1159-C1166 HydrophobicContact CG-CB 4.37Å; F1159-C1166 HydrophobicContact CZ-CB 3.44Å; F1159-C1166 VanDerWaalsContact CZ-CB 3.44Å; F1159-C1166 PolarHBondContact N-O 2.95Å; F1159-C1166 VanDerWaalsContact N-O 3.15Å; F1159-C1166 PolarHBondContact O-N 2.82Å; C1166-F1203 WeakPolarHBondContact CA-O 3.22Å
1167R92.4Very high85.4Confident14 Ų1433.8 Ų33.85%0.05321%0.209CC..EExtended strand (participates in β ladder)trans-126115.2170174-17475.1175-6.1108.7W1106 S1110 N1156 L1157 L1158 C1202 F1203 D1321W1106-R1167 HydrophobicContact CD2-CB 4.44Å; W1106-R1167 HydrophobicContact CH2-CB 4.02Å; W1106-R1167 HydrophobicContact CZ2-CB 3.73Å; W1106-R1167 HydrophobicContact CZ3-CB 4.48Å; S1110-R1167 PolarHBondContact OG-NH1 3.35Å; N1156-R1167 HydrophobicContact CB-CG 4.13Å; N1156-R1167 WeakPolarHBondContact OD1-CD 3.3Å; L1157-R1167 WeakPolarHBondContact O-CA 3.44Å; L1158-R1167 HydrophobicContact CD2-CB 3.61Å; L1158-R1167 HydrophobicContact CD2-CG 3.67Å; R1167-C1202 CarbonylContact O-C 3.41Å; R1167-C1202 WeakPolarHBondContact O-CA 3.44Å; R1167-F1203 HydrophobicContact CB-CB 4.28Å; R1167-F1203 PolarHBondContact N-O 3.37Å; R1167-F1203 VanDerWaalsContact NE-CD2 3.31Å; R1167-F1203 VanDerWaalsContact NH2-CD2 3.26Å; R1167-F1203 VanDerWaalsContact NH2-CE1 3.34Å; R1167-F1203 PolarHBondContact O-N 3.21Å; R1167-D1321 IonicContact CZ-OD2 3.89Å; R1167-D1321 IonicContact NH1-OD2 3.65Å; R1167-D1321 PolarHBondContact NH1-OD2 2.84Å; R1167-D1321 IonicContact NH2-OD2 3.89Å; R1167-D1321 PolarHBondContact NH2-OD2 3.22Å
1168I93.6Very high83.4Confident0 Ų037.5 Ų37.50%024%0.24CC..EExtended strand (participates in β ladder)trans-95.1124.6173.5-55.6176.6000108.8C928 I931 W938 L1157 F1159 L1190 A1200 Q1201 C1202C928-I1168 HydrophobicContact CB-CD1 4.33Å; I931-I1168 HydrophobicContact CD1-CD1 4.19Å; I931-I1168 HydrophobicContact CG2-CD1 4.47Å; W938-I1168 HydrophobicContact CH2-CB 4.16Å; W938-I1168 HydrophobicContact CH2-CG2 3.48Å; W938-I1168 VanDerWaalsContact CH2-CG2 3.48Å; W938-I1168 HydrophobicContact CZ2-CG2 3.58Å; W938-I1168 HydrophobicContact CZ3-CG2 4.43Å; L1157-I1168 HydrophobicContact CB-CB 4.43Å; L1157-I1168 PolarHBondContact N-O 3.16Å; L1157-I1168 VanDerWaalsContact N-O 3.07Å; L1157-I1168 PolarHBondContact O-N 3.36Å; F1159-I1168 HydrophobicContact CE1-CD1 3.89Å; F1159-I1168 HydrophobicContact CE1-CG1 4.17Å; I1168-L1190 HydrophobicContact CD1-CD1 4.32Å; I1168-L1190 HydrophobicContact CG1-CD1 4.44Å; I1168-L1190 HydrophobicContact CG2-CD1 4.09Å; I1168-A1200 HydrophobicContact CG2-CB 3.97Å; I1168-Q1201 WeakPolarHBondContact CA-O 3.49Å; I1168-C1202 HydrophobicContact CG1-CB 4.25Å
1169L91.5Very high81.3Confident24 Ų2440.1 Ų40.113%0.12626%0.261CS..EExtended strand (participates in β ladder)trans-118.4115.3173.2178.463.8000108.7P1155 R1173 A1200 Q1201 F1203P1155-L1169 HydrophobicContact CB-CD1 4.32Å; L1169-R1173 HydrophobicContact CD1-CB 4.4Å; L1169-A1200 WeakPolarHBondContact O-CA 3.28Å; L1169-Q1201 PolarHBondContact N-O 2.98Å; L1169-Q1201 PolarHBondContact O-N 2.95Å; L1169-F1203 HydrophobicContact CB-CE2 4.18Å; L1169-F1203 HydrophobicContact CD2-CE2 4.4Å
1170P90.9Very high79.3Confident0 Ų047.7 Ų47.70%030%0.302CS..EExtended strand (participates in β ladder)trans-68.3140.7174.6-22.637.1000111.4W938 Y1150 C1172 R1173 S1174W938-P1170 HydrophobicContact CB-CB 3.92Å; W938-P1170 HydrophobicContact CB-CG 4.02Å; W938-P1170 HydrophobicContact CD2-CB 3.91Å; W938-P1170 HydrophobicContact CD2-CG 3.3Å; W938-P1170 HydrophobicContact CE3-CB 4.32Å; W938-P1170 HydrophobicContact CE3-CG 3.25Å; W938-P1170 HydrophobicContact CG-CB 3.71Å; W938-P1170 HydrophobicContact CG-CG 3.64Å; W938-P1170 HydrophobicContact CH2-CG 4.44Å; W938-P1170 HydrophobicContact CZ2-CG 4.48Å; W938-P1170 HydrophobicContact CZ3-CG 3.86Å; Y1150-P1170 HydrophobicContact CE2-CG 3.93Å; P1170-C1172 VanDerWaalsContact CB-SG 3.58Å; P1170-C1172 PolarHBondContact O-N 2.98Å; P1170-R1173 PolarHBondContact O-N 3.12Å; P1170-S1174 PolarHBondContact O-N 2.87Å
1171S85.1Confident77.3Confident54 Ų5451.6 Ų51.638%0.37833%0.334SS..G310 helixtrans-59-31.7178.3-60.30000111.6R1173 S1174 R1198 T1199S1171-R1173 VanDerWaalsContact C-N 3.26Å; S1171-R1173 PolarHBondContact O-N 3.21Å; S1171-S1174 PolarHBondContact O-N 3.28Å; S1171-R1198 PolarHBondContact OG-O 2.86Å; S1171-T1199 WeakPolarHBondContact CB-O 3.3Å; S1171-T1199 PolarHBondContact N-O 3.46Å; S1171-T1199 PolarHBondContact OG-O 3.45Å
1172C84.8Confident75.7Confident84 Ų8459.5 Ų59.557%0.56838%0.376SS*.G310 helixtrans-67-19.9176.761.40000114.6P1170P1170-C1172 VanDerWaalsContact CB-SG 3.58Å; P1170-C1172 PolarHBondContact O-N 2.98Å
1173R85.7Confident74.4Confident58 Ų5861.8 Ų61.822%0.21939%0.387CS..G310 helixtrans-104.52.9179.3-65.3-71.5-68-97.9-5112.9T940 Y1150 S1151 K1152 P1155 L1169 P1170 S1171T940-R1173 PolarHBondContact OG1-NH1 3.19Å; Y1150-R1173 HydrophobicContact CE2-CG 4.26Å; Y1150-R1173 VanDerWaalsContact OH-CG 3.28Å; Y1150-R1173 WeakPolarHBondContact OH-CG 3.15Å; S1151-R1173 PolarHBondContact O-NH1 3.05Å; S1151-R1173 PolarHBondContact O-NH2 3.49Å; S1151-R1173 VanDerWaalsContact O-NH2 3.08Å; K1152-R1173 PolarHBondContact O-NH2 3.24Å; P1155-R1173 HydrophobicContact CB-CB 4.28Å; L1169-R1173 HydrophobicContact CD1-CB 4.4Å; P1170-R1173 PolarHBondContact O-N 3.12Å; S1171-R1173 VanDerWaalsContact C-N 3.26Å; S1171-R1173 PolarHBondContact O-N 3.21Å
1174S74.3Confident73.3Confident40 Ų4065.5 Ų65.528%0.2841%0.41SS..SBendtrans-79.2131.1178.9-163.80000110.6P1170 S1171 G1176P1170-S1174 PolarHBondContact O-N 2.87Å; S1171-S1174 PolarHBondContact O-N 3.28Å; S1174-G1176 PolarHBondContact O-N 3.22Å
1175P64.8Low72.3Confident107 Ų10768.4 Ų68.470%0.69543%0.43SS*.PPolyproline II helixtrans-63.7132.8176.423.2-29.7000111.6
1176G55.3Low71.9Confident76 Ų7668.1 Ų68.178%0.78443%0.43SS*.THydrogen-bonded Turntrans-59.9149.6-16900000116.7S1174S1174-G1176 PolarHBondContact O-N 3.22Å
1177Q47.9Very low71.6Confident207 Ų20768.3 Ų68.397%0.96743%0.431SS*.THydrogen-bonded Turntrans87-10.9-177.7-66.1-1750.900119.4
1178A50.1Low71.6Confident78 Ų7867.7 Ų67.765%0.64543%0.428SS*.  trans-98.57.4-179.500000115.5D1180A1178-D1180 PolarHBondContact O-N 3.1Å
1179A50.1Low71.4Confident55 Ų5569.4 Ų69.446%0.45544%0.437SS..SBendtrans-74.5-17.3-157.900000117.4
1180D53.3Low71.3Confident159 Ų15968.3 Ų68.385%0.8543%0.431SS*.SBendtrans-1350.9-167.8-80.1-43.2000118A1178A1178-D1180 PolarHBondContact O-N 3.1Å
1181A50.6Low71.2Confident89 Ų8971.7 Ų71.774%0.73645%0.446SS*.SBendtrans-110.6108.5-17500000114.4
1182N58.1Low71.4Confident167 Ų16770.7 Ų70.789%0.89344%0.437SS*.  trans54.654.5164.4-67.3-23.7000117.4
1183L63.3Low71.4Confident69 Ų6971.7 Ų71.736%0.36143%0.433SS..  trans-63.8144.9168.3-75.3164.7000111.6
1184P67.8Low71.5Confident86 Ų8675.2 Ų75.256%0.55846%0.461SS*.  trans-67.9152.5-179.926.7-32.6000111.6G1186 V1187P1184-G1186 PolarHBondContact O-N 3.02Å; P1184-V1187 HydrophobicContact CG-CG2 4.41Å; P1184-V1187 PolarHBondContact O-N 2.9Å
1185S73.4Confident72.3Confident60 Ų6076.6 Ų76.642%0.4247%0.468SS..THydrogen-bonded Turntrans-57-9.9-174.865.20000116.2V1187 E1250S1185-V1187 VanDerWaalsContact C-N 3.27Å; S1185-V1187 PolarHBondContact O-N 3.48Å; S1185-E1250 VanDerWaalsContact O-CB 3.3Å; S1185-E1250 WeakPolarHBondContact O-CB 3.24Å
1186G83.1Confident73.4Confident4 Ų476.6 Ų76.64%0.04146%0.457CS..THydrogen-bonded Turntrans-87.419.9-178.100000114.8P1184 L1204P1184-G1186 PolarHBondContact O-N 3.02Å; G1186-L1204 PolarHBondContact O-N 3.28Å; G1186-L1204 VanDerWaalsContact O-N 3.1Å
1187V87.7Confident74.8Confident4 Ų478.9 Ų78.92%0.02445%0.447CS..EExtended strand (participates in β ladder)trans-125.3125.1-175.7-1740000108.9P1184 S1185 Q1201 C1202 F1203P1184-V1187 HydrophobicContact CG-CG2 4.41Å; P1184-V1187 PolarHBondContact O-N 2.9Å; S1185-V1187 VanDerWaalsContact C-N 3.27Å; S1185-V1187 PolarHBondContact O-N 3.48Å; V1187-Q1201 HydrophobicContact CG1-CB 4.03Å; V1187-C1202 CarbonylContact C-O 3.56Å; V1187-C1202 WeakPolarHBondContact CA-O 3.25Å; V1187-F1203 HydrophobicContact CB-CD1 4.48Å; V1187-F1203 HydrophobicContact CG1-CD1 4.28Å; V1187-F1203 HydrophobicContact CG1-CE1 4.23Å; V1187-F1203 HydrophobicContact CG1-CG 4.48Å; V1187-F1203 HydrophobicContact CG1-CZ 4.4Å; V1187-F1203 HydrophobicContact CG2-CD1 3.44Å; V1187-F1203 VanDerWaalsContact CG2-CD1 3.44Å; V1187-F1203 HydrophobicContact CG2-CE1 3.6Å; V1187-F1203 HydrophobicContact CG2-CG 4.24Å
1188W91.9Very high76.6Confident0 Ų075.6 Ų75.60%043%0.426CS..EExtended strand (participates in β ladder)trans-88.4134.6171.3-68.2-18.9000110.9V924 Y925 L1190 C1202 L1204 E1250 W1349 F1353V924-W1188 HydrophobicContact CB-CH2 4.3Å; V924-W1188 HydrophobicContact CB-CZ3 4.42Å; V924-W1188 HydrophobicContact CG1-CH2 4.17Å; V924-W1188 HydrophobicContact CG1-CZ3 3.97Å; Y925-W1188 VanDerWaalsContact CA-CZ3 3.48Å; Y925-W1188 AromaticContact CD2-CD2 3.68Å; Y925-W1188 HydrophobicContact CD2-CD2 3.68Å; Y925-W1188 AromaticContact CD2-CE3 3.64Å; Y925-W1188 HydrophobicContact CD2-CE3 3.64Å; Y925-W1188 HydrophobicContact CD2-CG 4.23Å; Y925-W1188 HydrophobicContact CD2-CH2 4.3Å; Y925-W1188 HydrophobicContact CD2-CZ2 4.33Å; Y925-W1188 AromaticContact CD2-CZ3 3.96Å; Y925-W1188 HydrophobicContact CD2-CZ3 3.96Å; Y925-W1188 HydrophobicContact CE2-CD2 4.26Å; Y925-W1188 HydrophobicContact CE2-CE3 4.47Å; Y925-W1188 HydrophobicContact CE2-CG 4.34Å; Y925-W1188 HydrophobicContact CG-CE3 4.49Å; Y925-W1188 HydrophobicContact CG-CZ3 4.41Å; W1188-L1190 HydrophobicContact CB-CD2 4.43Å; W1188-C1202 HydrophobicContact CB-CB 4.21Å; W1188-C1202 PolarHBondContact N-O 2.56Å; W1188-C1202 PolarHBondContact O-N 3.27Å; W1188-L1204 HydrophobicContact CD2-CD1 3.68Å; W1188-L1204 HydrophobicContact CD2-CD2 4.22Å; W1188-L1204 HydrophobicContact CD2-CG 4.32Å; W1188-L1204 HydrophobicContact CE3-CD1 4.21Å; W1188-L1204 HydrophobicContact CE3-CD2 3.92Å; W1188-L1204 HydrophobicContact CG-CD1 4.09Å; W1188-L1204 HydrophobicContact CH2-CD1 4.15Å; W1188-L1204 HydrophobicContact CH2-CD2 4.22Å; W1188-L1204 HydrophobicContact CZ2-CD1 3.6Å; W1188-L1204 HydrophobicContact CZ2-CD2 4.5Å; W1188-L1204 HydrophobicContact CZ3-CD1 4.42Å; W1188-L1204 HydrophobicContact CZ3-CD2 3.92Å; W1188-E1250 PolarHBondContact NE1-OE1 2.91Å; W1188-E1250 PolarHBondContact NE1-OE2 3.26Å; W1188-W1349 HydrophobicContact CZ2-CB 4.25Å; W1188-F1353 HydrophobicContact CZ2-CE2 4.28Å
1189H89.2Confident78.4Confident37 Ų3773.3 Ų73.317%0.17140%0.404CS..EExtended strand (participates in β ladder)trans-89.3109.6170.9-61.3-75.7000109.7R1198 E1350H1189-R1198 HydrophobicContact CB-CG 4.37Å; H1189-E1350 IonicContact CD2-OE1 2.64Å; H1189-E1350 PolarHBondContact N-OE1 3Å
1190L90.2Very high80.4Confident0 Ų070.7 Ų70.70%038%0.382CS..EExtended strand (participates in β ladder)trans-83.9121.5178.4-53.8-178.3000108.6C928 N932 I1168 W1188 R1198 T1199 A1200 C1202C928-L1190 HydrophobicContact CB-CD1 4.05Å; C928-L1190 HydrophobicContact CB-CD2 3.8Å; N932-L1190 HydrophobicContact CB-CB 4.14Å; N932-L1190 HydrophobicContact CB-CD1 4.15Å; I1168-L1190 HydrophobicContact CD1-CD1 4.32Å; I1168-L1190 HydrophobicContact CG1-CD1 4.44Å; I1168-L1190 HydrophobicContact CG2-CD1 4.09Å; W1188-L1190 HydrophobicContact CB-CD2 4.43Å; L1190-R1198 CarbonylContact O-C 3.57Å; L1190-R1198 WeakPolarHBondContact O-CA 3.04Å; L1190-T1199 PolarHBondContact O-N 2.83Å; L1190-A1200 HydrophobicContact CB-CB 4.22Å; L1190-A1200 WeakPolarHBondContact CB-O 3.36Å; L1190-A1200 HydrophobicContact CD1-CB 4.13Å; L1190-A1200 PolarHBondContact N-O 3.26Å; L1190-C1202 HydrophobicContact CD1-CB 4.1Å; L1190-C1202 HydrophobicContact CD2-CB 4.31Å; L1190-C1202 HydrophobicContact CG-CB 4.22Å
1191Q88.4Confident82.1Confident71 Ų7164.2 Ų64.233%0.33235%0.347SS..EExtended strand (participates in β ladder)trans-103.1128.4-176.8-173175.86.600108.5Q929 N933 E1193 K1196 E1197Q929-Q1191 PolarHBondContact NE2-O 3.27Å; N933-Q1191 PolarHBondContact OD1-O 2.78Å; Q1191-E1193 PolarHBondContact O-N 2.99Å; Q1191-K1196 WeakPolarHBondContact CG-O 3.23Å; Q1191-K1196 PolarHBondContact NE2-O 3.43Å; Q1191-E1197 CarbonylContact C-O 3.55Å; Q1191-E1197 VanDerWaalsContact CA-O 3.24Å; Q1191-E1197 WeakPolarHBondContact CA-O 3.35Å
1192N89.1Confident84.1Confident33 Ų3360 Ų6018%0.17631%0.312CS..PPolyproline II helixtrans-66.5129.4172.6-174.5-32.3000109V1194 T1195 K1196 E1197 T1199N1192-V1194 VanDerWaalsContact C-N 3.25Å; N1192-V1194 PolarHBondContact O-N 3.35Å; N1192-V1194 PolarHBondContact OD1-N 3.18Å; N1192-T1195 WeakPolarHBondContact CB-OG1 3.47Å; N1192-K1196 WeakPolarHBondContact O-CA 3.4Å; N1192-K1196 PolarHBondContact O-N 2.86Å; N1192-E1197 PolarHBondContact N-O 2.97Å; N1192-T1199 HydrophobicContact CB-CG2 3.72Å
1193E86.3Confident85.7Confident106 Ų10653.5 Ų53.550%0.49528%0.276SS..THydrogen-bonded Turntrans-63-32.6-178.1-168.860.3-151.800112.8N933 Q1191 K1196N933-E1193 PolarHBondContact OD1-N 3.3Å; Q1191-E1193 PolarHBondContact O-N 2.99Å; E1193-K1196 WeakPolarHBondContact O-CD 3.44Å; E1193-K1196 WeakPolarHBondContact O-CE 3.4Å; E1193-K1196 PolarHBondContact O-NZ 2.93Å; E1193-K1196 IonicContact OE1-NZ 3.4Å; E1193-K1196 PolarHBondContact OE1-NZ 3.28Å; E1193-K1196 IonicContact OE2-NZ 2.61Å; E1193-K1196 PolarHBondContact OE2-NZ 3.1Å
1194V87.8Confident87.1Confident131 Ų13150.3 Ų50.379%0.79426%0.259SS*.THydrogen-bonded Turntrans-80.6-53.5-176.9-179.30000111.4N1192N1192-V1194 VanDerWaalsContact C-N 3.25Å; N1192-V1194 PolarHBondContact O-N 3.35Å; N1192-V1194 PolarHBondContact OD1-N 3.18Å
1195T89.5Confident88.3Confident69 Ų6948.3 Ų48.342%0.42324%0.24SC..THydrogen-bonded Turntrans-84.5-15.7-176.867.70000113.2N1192 E1197N1192-T1195 WeakPolarHBondContact CB-OG1 3.47Å; T1195-E1197 PolarHBondContact O-N 3.42Å; T1195-E1197 VanDerWaalsContact O-N 3.16Å; T1195-E1197 WeakPolarHBondContact OG1-CB 3.44Å; T1195-E1197 PolarHBondContact OG1-N 2.89Å; T1195-E1197 PolarHBondContact OG1-OE2 2.98Å
1196K88.4Confident89.3Confident108 Ų10845.6 Ų45.647%0.4722%0.221SC..  trans58.517.5-170.7-55.3-60.2-178.4-168.50113.5Q1191 N1192 E1193Q1191-K1196 WeakPolarHBondContact CG-O 3.23Å; Q1191-K1196 PolarHBondContact NE2-O 3.43Å; N1192-K1196 WeakPolarHBondContact O-CA 3.4Å; N1192-K1196 PolarHBondContact O-N 2.86Å; E1193-K1196 WeakPolarHBondContact O-CD 3.44Å; E1193-K1196 WeakPolarHBondContact O-CE 3.4Å; E1193-K1196 PolarHBondContact O-NZ 2.93Å; E1193-K1196 IonicContact OE1-NZ 3.4Å; E1193-K1196 PolarHBondContact OE1-NZ 3.28Å; E1193-K1196 IonicContact OE2-NZ 2.61Å; E1193-K1196 PolarHBondContact OE2-NZ 3.1Å
1197E84.9Confident89.6Confident124 Ų12446.8 Ų46.858%0.57923%0.227SC*.SBendtrans-90.5154.5176.6-63.4172.8157.300112.1Q1191 N1192 T1195 T1199Q1191-E1197 CarbonylContact C-O 3.55Å; Q1191-E1197 VanDerWaalsContact CA-O 3.24Å; Q1191-E1197 WeakPolarHBondContact CA-O 3.35Å; N1192-E1197 PolarHBondContact N-O 2.97Å; T1195-E1197 PolarHBondContact O-N 3.42Å; T1195-E1197 VanDerWaalsContact O-N 3.16Å; T1195-E1197 WeakPolarHBondContact OG1-CB 3.44Å; T1195-E1197 PolarHBondContact OG1-N 2.89Å; T1195-E1197 PolarHBondContact OG1-OE2 2.98Å; E1197-T1199 HydrophobicContact CB-CG2 4.3Å; E1197-T1199 PolarHBondContact O-N 2.7Å; E1197-T1199 VanDerWaalsContact O-N 3.1Å
1198R85.7Confident89.7Confident137 Ų13750.9 Ų50.952%0.51725%0.249SC..EExtended strand (participates in β ladder)trans-82.184.2173.7-65.6178.8180179.51.8110.5S1171 H1189 L1190S1171-R1198 PolarHBondContact OG-O 2.86Å; H1189-R1198 HydrophobicContact CB-CG 4.37Å; L1190-R1198 CarbonylContact O-C 3.57Å; L1190-R1198 WeakPolarHBondContact O-CA 3.04Å
1199T88.7Confident89.6Confident30 Ų3054.3 Ų54.318%0.18427%0.265CS..EExtended strand (participates in β ladder)trans-81-19.8-173.351.10000113.9N932 S1171 L1190 N1192 E1197N932-T1199 PolarHBondContact ND2-OG1 2.69Å; N932-T1199 PolarHBondContact OD1-OG1 3.46Å; S1171-T1199 WeakPolarHBondContact CB-O 3.3Å; S1171-T1199 PolarHBondContact N-O 3.46Å; S1171-T1199 PolarHBondContact OG-O 3.45Å; L1190-T1199 PolarHBondContact O-N 2.83Å; N1192-T1199 HydrophobicContact CB-CG2 3.72Å; E1197-T1199 HydrophobicContact CB-CG2 4.3Å; E1197-T1199 PolarHBondContact O-N 2.7Å; E1197-T1199 VanDerWaalsContact O-N 3.1Å
1200A90.1Very high89.7Confident0 Ų053 Ų530%026%0.26CS..EExtended strand (participates in β ladder)trans-150.3161.2178.900000113.1N932 W938 I1168 L1169 L1190N932-A1200 WeakPolarHBondContact OD1-CB 3.15Å; W938-A1200 HydrophobicContact CZ2-CB 4.38Å; I1168-A1200 HydrophobicContact CG2-CB 3.97Å; L1169-A1200 WeakPolarHBondContact O-CA 3.28Å; L1190-A1200 HydrophobicContact CB-CB 4.22Å; L1190-A1200 WeakPolarHBondContact CB-O 3.36Å; L1190-A1200 HydrophobicContact CD1-CB 4.13Å; L1190-A1200 PolarHBondContact N-O 3.26Å
1201Q90.2Very high89.8Confident24 Ų2453.6 Ų53.611%0.11226%0.263CS..EExtended strand (participates in β ladder)trans-120.2131.5175.9-61.8178.70.400109.5I1168 L1169 V1187 F1203I1168-Q1201 WeakPolarHBondContact CA-O 3.49Å; L1169-Q1201 PolarHBondContact N-O 2.98Å; L1169-Q1201 PolarHBondContact O-N 2.95Å; V1187-Q1201 HydrophobicContact CG1-CB 4.03Å; Q1201-F1203 HydrophobicContact CB-CE2 4.07Å
1202C92.4Very high89.9Confident0 Ų055 Ų550%027%0.269CS..EExtended strand (participates in β ladder)trans-109.4112.1175-176.50000110.6R1167 I1168 V1187 W1188 L1190R1167-C1202 CarbonylContact O-C 3.41Å; R1167-C1202 WeakPolarHBondContact O-CA 3.44Å; I1168-C1202 HydrophobicContact CG1-CB 4.25Å; V1187-C1202 CarbonylContact C-O 3.56Å; V1187-C1202 WeakPolarHBondContact CA-O 3.25Å; W1188-C1202 HydrophobicContact CB-CB 4.21Å; W1188-C1202 PolarHBondContact N-O 2.56Å; W1188-C1202 PolarHBondContact O-N 3.27Å; L1190-C1202 HydrophobicContact CD1-CB 4.1Å; L1190-C1202 HydrophobicContact CD2-CB 4.31Å; L1190-C1202 HydrophobicContact CG-CB 4.22Å
1203F91.7Very high90Very high31 Ų3157.9 Ų57.914%0.13628%0.278CS..EExtended strand (participates in β ladder)trans-86.6131.8175.3-61.1-99.2000109.8W1106 C1166 R1167 L1169 V1187 Q1201W1106-F1203 HydrophobicContact CH2-CB 3.64Å; W1106-F1203 HydrophobicContact CZ3-CB 4Å; C1166-F1203 WeakPolarHBondContact CA-O 3.22Å; R1167-F1203 HydrophobicContact CB-CB 4.28Å; R1167-F1203 PolarHBondContact N-O 3.37Å; R1167-F1203 VanDerWaalsContact NE-CD2 3.31Å; R1167-F1203 VanDerWaalsContact NH2-CD2 3.26Å; R1167-F1203 VanDerWaalsContact NH2-CE1 3.34Å; R1167-F1203 PolarHBondContact O-N 3.21Å; L1169-F1203 HydrophobicContact CB-CE2 4.18Å; L1169-F1203 HydrophobicContact CD2-CE2 4.4Å; V1187-F1203 HydrophobicContact CB-CD1 4.48Å; V1187-F1203 HydrophobicContact CG1-CD1 4.28Å; V1187-F1203 HydrophobicContact CG1-CE1 4.23Å; V1187-F1203 HydrophobicContact CG1-CG 4.48Å; V1187-F1203 HydrophobicContact CG1-CZ 4.4Å; V1187-F1203 HydrophobicContact CG2-CD1 3.44Å; V1187-F1203 VanDerWaalsContact CG2-CD1 3.44Å; V1187-F1203 HydrophobicContact CG2-CE1 3.6Å; V1187-F1203 HydrophobicContact CG2-CG 4.24Å; Q1201-F1203 HydrophobicContact CB-CE2 4.07Å
1204L93.5Very high90.3Very high2 Ų253.4 Ų53.41%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-110.6141.5-175.9-54.4171.9000111.4E1165 G1186 W1188 E1250 A1251 S1254E1165-L1204 CarbonylContact O-C 3.55Å; G1186-L1204 PolarHBondContact O-N 3.28Å; G1186-L1204 VanDerWaalsContact O-N 3.1Å; W1188-L1204 HydrophobicContact CD2-CD1 3.68Å; W1188-L1204 HydrophobicContact CD2-CD2 4.22Å; W1188-L1204 HydrophobicContact CD2-CG 4.32Å; W1188-L1204 HydrophobicContact CE3-CD1 4.21Å; W1188-L1204 HydrophobicContact CE3-CD2 3.92Å; W1188-L1204 HydrophobicContact CG-CD1 4.09Å; W1188-L1204 HydrophobicContact CH2-CD1 4.15Å; W1188-L1204 HydrophobicContact CH2-CD2 4.22Å; W1188-L1204 HydrophobicContact CZ2-CD1 3.6Å; W1188-L1204 HydrophobicContact CZ2-CD2 4.5Å; W1188-L1204 HydrophobicContact CZ3-CD1 4.42Å; W1188-L1204 HydrophobicContact CZ3-CD2 3.92Å; L1204-E1250 HydrophobicContact CD1-CG 3.78Å; L1204-A1251 HydrophobicContact CB-CB 3.87Å; L1204-S1254 WeakPolarHBondContact O-CB 3.46Å; L1204-S1254 PolarHBondContact O-OG 3.14Å
1205R92.5Very high90.7Very high43 Ų4348.5 Ų48.516%0.16223%0.225CC..EExtended strand (participates in β ladder)trans-137.4162.9167.4-69.7-179.371.2133.9-6.4110.6C1105 W1106 E1165C1105-R1205 PolarHBondContact O-NH1 3.44Å; C1105-R1205 PolarHBondContact O-NH2 3.38Å; W1106-R1205 HydrophobicContact CH2-CB 4.36Å; W1106-R1205 HydrophobicContact CH2-CG 3.55Å; W1106-R1205 HydrophobicContact CZ2-CB 4.29Å; W1106-R1205 HydrophobicContact CZ2-CG 3.92Å; W1106-R1205 HydrophobicContact CZ3-CG 3.97Å; E1165-R1205 HydrophobicContact CB-CB 4.34Å; E1165-R1205 PolarHBondContact N-O 3.2Å; E1165-R1205 PolarHBondContact O-N 3.11Å
1206V93.7Very high90.9Very high3 Ų345.5 Ų45.52%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-88130.3172.2-177.30000109.2M1211 Y1248 A1251 T1255 L1258V1206-M1211 HydrophobicContact CB-CG 4.42Å; V1206-M1211 HydrophobicContact CG1-CG 3.95Å; V1206-Y1248 HydrophobicContact CB-CD1 4.47Å; V1206-Y1248 HydrophobicContact CG1-CD1 4.15Å; V1206-Y1248 HydrophobicContact CG1-CD2 4.14Å; V1206-Y1248 HydrophobicContact CG1-CE1 4.02Å; V1206-Y1248 HydrophobicContact CG1-CE2 3.99Å; V1206-Y1248 HydrophobicContact CG1-CG 4.23Å; V1206-Y1248 HydrophobicContact CG2-CD1 3.83Å; V1206-Y1248 HydrophobicContact CG2-CD2 4.22Å; V1206-Y1248 HydrophobicContact CG2-CG 3.69Å; V1206-A1251 HydrophobicContact CG2-CB 4.04Å; V1206-T1255 HydrophobicContact CB-CG2 4.42Å; V1206-T1255 PolarHBondContact N-OG1 2.85Å; V1206-L1258 HydrophobicContact CB-CD2 4.13Å; V1206-L1258 HydrophobicContact CG1-CD2 4.32Å; V1206-L1258 HydrophobicContact CG2-CD2 3.75Å
1207D90.5Very high91.1Very high29 Ų2942.5 Ų42.516%0.15519%0.192CC..  trans-61.9145.7177.3170.840.9000112.7G1163 E1209 S1210 M1211G1163-D1207 VanDerWaalsContact O-CB 3.29Å; G1163-D1207 WeakPolarHBondContact O-CB 3.29Å; G1163-D1207 PolarHBondContact O-N 3.21Å; D1207-E1209 VanDerWaalsContact C-N 3.3Å; D1207-E1209 PolarHBondContact O-N 2.87Å; D1207-E1209 WeakPolarHBondContact OD2-CB 3.33Å; D1207-E1209 PolarHBondContact OD2-N 3.08Å; D1207-S1210 WeakPolarHBondContact O-CB 3.25Å; D1207-S1210 PolarHBondContact O-N 3.48Å; D1207-S1210 VanDerWaalsContact O-N 3.15Å; D1207-M1211 WeakPolarHBondContact O-CG 3.39Å; D1207-M1211 PolarHBondContact O-N 3.16Å
1208D89Confident91.5Very high91 Ų9136.7 Ų36.749%0.48717%0.165SC..Hα-helixtrans-59.5-37179.8-80.1-27.1000112.5S1210 M1211 Q1212D1208-S1210 VanDerWaalsContact C-N 3.3Å; D1208-S1210 PolarHBondContact O-N 3.28Å; D1208-M1211 HydrophobicContact CB-CE 4.39Å; D1208-M1211 PolarHBondContact O-N 2.99Å; D1208-M1211 WeakPolarHBondContact OD1-CE 3.41Å; D1208-Q1212 WeakPolarHBondContact O-CG 3.47Å; D1208-Q1212 PolarHBondContact O-N 2.96Å
1209E89.4Confident91.8Very high71 Ų7131.2 Ų31.233%0.33215%0.145SC..Hα-helixtrans-61.3-43.6177.6-158.9-153.7131.900110.5R1066 D1207 Q1212 R1213R1066-E1209 IonicContact NH2-OE2 3.68Å; R1066-E1209 PolarHBondContact NH2-OE2 3.36Å; D1207-E1209 VanDerWaalsContact C-N 3.3Å; D1207-E1209 PolarHBondContact O-N 2.87Å; D1207-E1209 WeakPolarHBondContact OD2-CB 3.33Å; D1207-E1209 PolarHBondContact OD2-N 3.08Å; E1209-Q1212 PolarHBondContact O-N 2.92Å; E1209-R1213 WeakPolarHBondContact O-CB 3.43Å; E1209-R1213 PolarHBondContact O-N 3.2Å; E1209-R1213 IonicContact OE1-CZ 3.91Å; E1209-R1213 IonicContact OE1-NH2 2.85Å; E1209-R1213 PolarHBondContact OE1-NH2 2.59Å
1210S91.7Very high91.9Very high11 Ų1131.7 Ų31.78%0.07715%0.145CC..Hα-helixtrans-67.9-39.8-179.6-60.90000111.9D1207 D1208 Q1212 R1213 F1214 Y1248D1207-S1210 WeakPolarHBondContact O-CB 3.25Å; D1207-S1210 PolarHBondContact O-N 3.48Å; D1207-S1210 VanDerWaalsContact O-N 3.15Å; D1208-S1210 VanDerWaalsContact C-N 3.3Å; D1208-S1210 PolarHBondContact O-N 3.28Å; S1210-Q1212 PolarHBondContact O-N 3.08Å; S1210-R1213 WeakPolarHBondContact O-CB 3.25Å; S1210-R1213 PolarHBondContact O-N 3.15Å; S1210-F1214 PolarHBondContact O-N 3.13Å; S1210-Y1248 WeakPolarHBondContact CB-OH 3.22Å; S1210-Y1248 PolarHBondContact OG-OH 2.99Å
1211M91.5Very high92Very high12 Ų1231.9 Ų31.96%0.05915%0.145CC..Hα-helixtrans-60.6-44.4171.6-65.6-160.3-8100111.9V1206 D1207 D1208 F1214 H1215 T1255 A1257 L1258 L1261V1206-M1211 HydrophobicContact CB-CG 4.42Å; V1206-M1211 HydrophobicContact CG1-CG 3.95Å; D1207-M1211 WeakPolarHBondContact O-CG 3.39Å; D1207-M1211 PolarHBondContact O-N 3.16Å; D1208-M1211 HydrophobicContact CB-CE 4.39Å; D1208-M1211 PolarHBondContact O-N 2.99Å; D1208-M1211 WeakPolarHBondContact OD1-CE 3.41Å; M1211-F1214 PolarHBondContact O-N 3.07Å; M1211-H1215 PolarHBondContact O-N 3.08Å; M1211-T1255 HydrophobicContact CE-CG2 4.2Å; M1211-T1255 HydrophobicContact SD-CG2 3.72Å; M1211-A1257 HydrophobicContact CE-CB 4.29Å; M1211-A1257 HydrophobicContact SD-CB 4.24Å; M1211-L1258 HydrophobicContact CG-CB 4.41Å; M1211-L1258 HydrophobicContact CG-CD1 4.07Å; M1211-L1258 HydrophobicContact SD-CB 3.71Å; M1211-L1258 HydrophobicContact SD-CD1 4.33Å; M1211-L1261 HydrophobicContact CB-CD2 4.26Å; M1211-L1261 WeakPolarHBondContact O-CD2 3.37Å
1212Q91.5Very high92Very high100 Ų10032.6 Ų32.647%0.46715%0.15SC..Hα-helixtrans-66.5-37.3176.3-70.9-60.5-24.700112.5D1208 E1209 S1210 H1215 N1216D1208-Q1212 WeakPolarHBondContact O-CG 3.47Å; D1208-Q1212 PolarHBondContact O-N 2.96Å; E1209-Q1212 PolarHBondContact O-N 2.92Å; S1210-Q1212 PolarHBondContact O-N 3.08Å; Q1212-H1215 WeakPolarHBondContact O-CB 3.31Å; Q1212-H1215 PolarHBondContact O-N 3.15Å; Q1212-N1216 WeakPolarHBondContact O-CB 3.37Å; Q1212-N1216 VanDerWaalsContact O-CG 3.32Å; Q1212-N1216 PolarHBondContact O-N 3.28Å; Q1212-N1216 PolarHBondContact O-ND2 3.02Å
1213R91.5Very high91.6Very high94 Ų9435 Ų3536%0.35516%0.162SC..Hα-helixtrans-60.5-45175-167.8-178.6-67.7-171.2-1.2110.9E1209 S1210 N1216 R1217E1209-R1213 WeakPolarHBondContact O-CB 3.43Å; E1209-R1213 PolarHBondContact O-N 3.2Å; E1209-R1213 IonicContact OE1-CZ 3.91Å; E1209-R1213 IonicContact OE1-NH2 2.85Å; E1209-R1213 PolarHBondContact OE1-NH2 2.59Å; S1210-R1213 WeakPolarHBondContact O-CB 3.25Å; S1210-R1213 PolarHBondContact O-N 3.15Å; R1213-N1216 PolarHBondContact O-N 3.43Å; R1213-R1217 WeakPolarHBondContact O-CB 3.35Å; R1213-R1217 PolarHBondContact O-N 3.45Å
1214F93Very high91.2Very high12 Ų1235.9 Ų35.95%0.05317%0.174CC..Hα-helixtrans-62.1-45.6172.8179-101.9000112S1210 M1211 N1216 R1217 V1218 W1237 A1240 L1241 L1244 L1261 L1262S1210-F1214 PolarHBondContact O-N 3.13Å; M1211-F1214 PolarHBondContact O-N 3.07Å; F1214-N1216 VanDerWaalsContact C-N 3.34Å; F1214-N1216 PolarHBondContact O-N 2.82Å; F1214-R1217 WeakPolarHBondContact O-CB 3.25Å; F1214-R1217 PolarHBondContact O-N 3.3Å; F1214-V1218 HydrophobicContact CD1-CG2 4.47Å; F1214-V1218 HydrophobicContact CE1-CG2 4.04Å; F1214-V1218 HydrophobicContact CE2-CG2 4.35Å; F1214-V1218 HydrophobicContact CZ-CG2 3.98Å; F1214-V1218 WeakPolarHBondContact O-CG2 3.49Å; F1214-V1218 PolarHBondContact O-N 2.84Å; F1214-W1237 HydrophobicContact CE1-CZ3 4.4Å; F1214-W1237 HydrophobicContact CZ-CH2 4.2Å; F1214-W1237 AromaticContact CZ-CZ3 3.82Å; F1214-W1237 HydrophobicContact CZ-CZ3 3.82Å; F1214-A1240 HydrophobicContact CE2-CB 4.3Å; F1214-L1241 HydrophobicContact CZ-CD1 4.42Å; F1214-L1244 HydrophobicContact CB-CD1 4.13Å; F1214-L1244 HydrophobicContact CD1-CD2 4.12Å; F1214-L1244 HydrophobicContact CD2-CB 3.91Å; F1214-L1244 HydrophobicContact CD2-CD1 4.11Å; F1214-L1244 HydrophobicContact CD2-CD2 3.8Å; F1214-L1244 HydrophobicContact CD2-CG 4.16Å; F1214-L1244 HydrophobicContact CE1-CD2 4.14Å; F1214-L1244 HydrophobicContact CE2-CB 4Å; F1214-L1244 HydrophobicContact CE2-CD2 3.82Å; F1214-L1244 HydrophobicContact CE2-CG 4.43Å; F1214-L1244 HydrophobicContact CG-CD1 4.16Å; F1214-L1244 HydrophobicContact CG-CD2 3.96Å; F1214-L1244 HydrophobicContact CZ-CD2 3.99Å; F1214-L1261 HydrophobicContact CD1-CD2 4.26Å; F1214-L1262 HydrophobicContact CE1-CD2 3.57Å; F1214-L1262 HydrophobicContact CE1-CG 4.48Å; F1214-L1262 HydrophobicContact CZ-CD2 3.65Å
1215H94.3Very high90.2Very high27 Ų2736 Ų3613%0.12518%0.176CC..Hα-helixtrans-57.3-47.3176.8-173.649.1000112.2M1211 Q1212 R1217 V1218 R1219 L1261M1211-H1215 PolarHBondContact O-N 3.08Å; Q1212-H1215 WeakPolarHBondContact O-CB 3.31Å; Q1212-H1215 PolarHBondContact O-N 3.15Å; H1215-R1217 VanDerWaalsContact C-N 3.32Å; H1215-R1217 PolarHBondContact O-N 3.21Å; H1215-V1218 PolarHBondContact O-N 3.17Å; H1215-R1219 WeakPolarHBondContact NE2-CD 3.36Å; H1215-R1219 WeakPolarHBondContact O-CG 3.32Å; H1215-R1219 PolarHBondContact O-N 3.42Å; H1215-L1261 HydrophobicContact CB-CD1 4.03Å; H1215-L1261 HydrophobicContact CB-CD2 4.09Å
1216N93.9Very high89.1Confident7 Ų736.2 Ų36.24%0.03719%0.191CC..Hα-helixtrans-65.9-35.4179.3-74-28.4000112L873 Y874 Q1212 R1213 F1214 V1218 R1219 Q1220L873-N1216 VanDerWaalsContact O-CB 3.28Å; L873-N1216 WeakPolarHBondContact O-CB 3.38Å; L873-N1216 PolarHBondContact O-ND2 3.31Å; Y874-N1216 HydrophobicContact CD2-CB 3.97Å; Y874-N1216 WeakPolarHBondContact CE2-O 3.36Å; Q1212-N1216 WeakPolarHBondContact O-CB 3.37Å; Q1212-N1216 VanDerWaalsContact O-CG 3.32Å; Q1212-N1216 PolarHBondContact O-N 3.28Å; Q1212-N1216 PolarHBondContact O-ND2 3.02Å; R1213-N1216 PolarHBondContact O-N 3.43Å; F1214-N1216 VanDerWaalsContact C-N 3.34Å; F1214-N1216 PolarHBondContact O-N 2.82Å; N1216-V1218 PolarHBondContact O-N 3.25Å; N1216-R1219 WeakPolarHBondContact O-CB 3.49Å; N1216-R1219 PolarHBondContact O-N 3.32Å; N1216-R1219 PolarHBondContact OD1-NH1 3.26Å; N1216-Q1220 WeakPolarHBondContact O-CB 3.5Å; N1216-Q1220 PolarHBondContact O-N 2.91Å
1217R93.3Very high87.9Confident44 Ų4438.9 Ų38.917%0.16621%0.21CC..Hα-helixtrans-59.5-46.6171.3-175.168.2-177.5114.32.6111.7R1213 F1214 H1215 Q1220 I1221 A1240 Q1424R1213-R1217 WeakPolarHBondContact O-CB 3.35Å; R1213-R1217 PolarHBondContact O-N 3.45Å; F1214-R1217 WeakPolarHBondContact O-CB 3.25Å; F1214-R1217 PolarHBondContact O-N 3.3Å; H1215-R1217 VanDerWaalsContact C-N 3.32Å; H1215-R1217 PolarHBondContact O-N 3.21Å; R1217-Q1220 VanDerWaalsContact O-CB 3.28Å; R1217-Q1220 WeakPolarHBondContact O-CB 3.49Å; R1217-Q1220 PolarHBondContact O-N 3.07Å; R1217-Q1220 VanDerWaalsContact O-N 3.13Å; R1217-I1221 WeakPolarHBondContact O-CG1 3.32Å; R1217-I1221 PolarHBondContact O-N 2.87Å; R1217-I1221 VanDerWaalsContact O-N 3.08Å; R1217-A1240 HydrophobicContact CG-CB 4.06Å; R1217-Q1424 VanDerWaalsContact CD-OE1 3.31Å
1218V93.4Very high87.5Confident2 Ų239.4 Ų39.41%0.01221%0.214CC..Hα-helixtrans-64.9-41.8176.6178.50000111.3F1214 H1215 N1216 Q1220 I1221 L1222 W1237 C1265 I1269F1214-V1218 HydrophobicContact CD1-CG2 4.47Å; F1214-V1218 HydrophobicContact CE1-CG2 4.04Å; F1214-V1218 HydrophobicContact CE2-CG2 4.35Å; F1214-V1218 HydrophobicContact CZ-CG2 3.98Å; F1214-V1218 WeakPolarHBondContact O-CG2 3.49Å; F1214-V1218 PolarHBondContact O-N 2.84Å; H1215-V1218 PolarHBondContact O-N 3.17Å; N1216-V1218 PolarHBondContact O-N 3.25Å; V1218-Q1220 PolarHBondContact O-N 3.4Å; V1218-I1221 WeakPolarHBondContact O-CB 3.36Å; V1218-I1221 PolarHBondContact O-N 3.47Å; V1218-I1221 VanDerWaalsContact O-N 3.16Å; V1218-L1222 HydrophobicContact CG1-CD1 4.4Å; V1218-L1222 WeakPolarHBondContact O-CG 3.45Å; V1218-L1222 PolarHBondContact O-N 3.45Å; V1218-W1237 HydrophobicContact CG2-CE3 4.12Å; V1218-W1237 HydrophobicContact CG2-CZ3 3.9Å; V1218-C1265 HydrophobicContact CB-CB 4.47Å; V1218-C1265 HydrophobicContact CG1-CB 3.97Å; V1218-C1265 HydrophobicContact CG2-CB 4.22Å; V1218-I1269 HydrophobicContact CG1-CD1 4.23Å; V1218-I1269 HydrophobicContact CG1-CG1 4.24Å
1219R92Very high87.4Confident23 Ų2335.3 Ų35.39%0.08719%0.192CC..Hα-helixtrans-57-38.1172.5-71.4173.562.5-164.54.5111.5I733 Y874 H1215 N1216 L1222 M1223I733-R1219 VanDerWaalsContact O-CZ 3.28Å; I733-R1219 PolarHBondContact O-NH1 2.98Å; I733-R1219 PolarHBondContact O-NH2 3.04Å; Y874-R1219 HydrophobicContact CD2-CB 4.04Å; Y874-R1219 HydrophobicContact CE2-CB 3.8Å; H1215-R1219 WeakPolarHBondContact NE2-CD 3.36Å; H1215-R1219 WeakPolarHBondContact O-CG 3.32Å; H1215-R1219 PolarHBondContact O-N 3.42Å; N1216-R1219 WeakPolarHBondContact O-CB 3.49Å; N1216-R1219 PolarHBondContact O-N 3.32Å; N1216-R1219 PolarHBondContact OD1-NH1 3.26Å; R1219-L1222 PolarHBondContact O-N 3.23Å; R1219-M1223 WeakPolarHBondContact O-CB 3.45Å; R1219-M1223 WeakPolarHBondContact O-CG 3.35Å; R1219-M1223 PolarHBondContact O-N 2.98Å
1220Q90.9Very high87.5Confident40 Ų4032.4 Ų32.419%0.18718%0.179CC..Hα-helixtrans-67.2-40.1179.7-160.6-164.31800111.1Y874 N1216 R1217 V1218 M1223 A1224Y874-Q1220 HydrophobicContact CE2-CB 3.82Å; Y874-Q1220 HydrophobicContact CE2-CG 4.32Å; Y874-Q1220 WeakPolarHBondContact OH-CA 3.35Å; N1216-Q1220 WeakPolarHBondContact O-CB 3.5Å; N1216-Q1220 PolarHBondContact O-N 2.91Å; R1217-Q1220 VanDerWaalsContact O-CB 3.28Å; R1217-Q1220 WeakPolarHBondContact O-CB 3.49Å; R1217-Q1220 PolarHBondContact O-N 3.07Å; R1217-Q1220 VanDerWaalsContact O-N 3.13Å; V1218-Q1220 PolarHBondContact O-N 3.4Å; Q1220-M1223 PolarHBondContact O-N 3.38Å; Q1220-A1224 WeakPolarHBondContact O-CB 3.49Å; Q1220-A1224 PolarHBondContact O-N 2.92Å
1221I91.7Very high87.4Confident3 Ų334.6 Ų34.62%0.01519%0.191CC..Hα-helixtrans-59.2-48.4174-63.9168.5000110.2R1217 V1218 A1224 S1225 I1233 K1236 A1240 I1269R1217-I1221 WeakPolarHBondContact O-CG1 3.32Å; R1217-I1221 PolarHBondContact O-N 2.87Å; R1217-I1221 VanDerWaalsContact O-N 3.08Å; V1218-I1221 WeakPolarHBondContact O-CB 3.36Å; V1218-I1221 PolarHBondContact O-N 3.47Å; V1218-I1221 VanDerWaalsContact O-N 3.16Å; I1221-A1224 PolarHBondContact O-N 3.37Å; I1221-S1225 PolarHBondContact O-N 3.06Å; I1221-S1225 VanDerWaalsContact O-N 3.11Å; I1221-I1233 HydrophobicContact CG2-CG2 4.06Å; I1221-K1236 HydrophobicContact CD1-CB 3.77Å; I1221-K1236 WeakPolarHBondContact CD1-O 3.48Å; I1221-K1236 HydrophobicContact CG1-CB 3.86Å; I1221-K1236 HydrophobicContact CG1-CD 4.35Å; I1221-K1236 HydrophobicContact CG2-CB 4Å; I1221-K1236 HydrophobicContact CG2-CD 4.36Å; I1221-A1240 HydrophobicContact CD1-CB 4.27Å; I1221-I1269 HydrophobicContact CG2-CD1 4.05Å
1222L89.8Confident87.2Confident39 Ų3938.9 Ų38.920%0.20421%0.21CC..Hα-helixtrans-62.6-45.7178.8-66.7171.6000112V1218 R1219 S1225 K1268 I1269 R1272V1218-L1222 HydrophobicContact CG1-CD1 4.4Å; V1218-L1222 WeakPolarHBondContact O-CG 3.45Å; V1218-L1222 PolarHBondContact O-N 3.45Å; R1219-L1222 PolarHBondContact O-N 3.23Å; L1222-S1225 PolarHBondContact O-N 3.24Å; L1222-S1225 PolarHBondContact O-OG 3.42Å; L1222-K1268 HydrophobicContact CD1-CB 4.03Å; L1222-K1268 HydrophobicContact CD1-CD 4.48Å; L1222-I1269 HydrophobicContact CD2-CD1 3.75Å; L1222-I1269 HydrophobicContact CG-CD1 4.14Å; L1222-R1272 HydrophobicContact CD2-CB 3.78Å; L1222-R1272 HydrophobicContact CD2-CG 4.01Å
1223M85.4Confident87.3Confident52 Ų5234.5 Ų34.526%0.25619%0.189SC..Hα-helixtrans-70-36.1179.3-72.9-65.5-174.500112.7V739 K741 R1219 Q1220 S1225V739-M1223 HydrophobicContact CG2-CE 4.05Å; K741-M1223 HydrophobicContact CB-SD 4.27Å; K741-M1223 VanDerWaalsContact CD-O 3.25Å; K741-M1223 WeakPolarHBondContact CD-O 3.24Å; K741-M1223 WeakPolarHBondContact CE-O 3.31Å; K741-M1223 PolarHBondContact NZ-O 2.93Å; R1219-M1223 WeakPolarHBondContact O-CB 3.45Å; R1219-M1223 WeakPolarHBondContact O-CG 3.35Å; R1219-M1223 PolarHBondContact O-N 2.98Å; Q1220-M1223 PolarHBondContact O-N 3.38Å; M1223-S1225 VanDerWaalsContact C-N 3.28Å; M1223-S1225 PolarHBondContact O-N 3.42Å
1224A82.8Confident87.4Confident48 Ų4830 Ų3040%0.39717%0.172SC..Hα-helixtrans-65.9-33.2176.200000111.5K741 Q1220 I1221 G1226K741-A1224 PolarHBondContact NZ-O 2.78Å; Q1220-A1224 WeakPolarHBondContact O-CB 3.49Å; Q1220-A1224 PolarHBondContact O-N 2.92Å; I1221-A1224 PolarHBondContact O-N 3.37Å; A1224-G1226 PolarHBondContact O-N 3.01Å; A1224-G1226 VanDerWaalsContact O-N 3.1Å
1225S71.6Confident87.3Confident6 Ų633.3 Ų33.34%0.04219%0.191CC..  trans-66.9105176.776.80000111.1I1221 L1222 M1223 T1228 R1272I1221-S1225 PolarHBondContact O-N 3.06Å; I1221-S1225 VanDerWaalsContact O-N 3.11Å; L1222-S1225 PolarHBondContact O-N 3.24Å; L1222-S1225 PolarHBondContact O-OG 3.42Å; M1223-S1225 VanDerWaalsContact C-N 3.28Å; M1223-S1225 PolarHBondContact O-N 3.42Å; S1225-T1228 WeakPolarHBondContact CA-OG1 3.39Å; S1225-T1228 VanDerWaalsContact CB-OG1 3.26Å; S1225-T1228 WeakPolarHBondContact CB-OG1 3.32Å; S1225-R1272 PolarHBondContact O-NH2 2.92Å; S1225-R1272 PolarHBondContact OG-NE 3.19Å; S1225-R1272 PolarHBondContact OG-NH2 3.3Å
1226G69.6Low87.2Confident46 Ų4636.2 Ų36.247%0.47420%0.203SC..SBendtrans-101.2-73.2171.500000110.5A1224 R1272A1224-G1226 PolarHBondContact O-N 3.01Å; A1224-G1226 VanDerWaalsContact O-N 3.1Å; G1226-R1272 PolarHBondContact O-NH2 3.5Å
1227S70.1Confident87.3Confident60 Ų6035.9 Ų35.942%0.4220%0.201SC..SBendtrans-124.340.4171.5-52.30000109.7S1498 N1501S1227-S1498 WeakPolarHBondContact CB-OG 3.43Å; S1227-S1498 PolarHBondContact OG-OG 3.21Å; S1227-N1501 WeakPolarHBondContact O-CB 3.33Å
1228T82.1Confident87.4Confident40 Ų4034.6 Ų34.625%0.24520%0.198CC..  trans-77.4159.6-179.652.40000110.9S1225 N1505S1225-T1228 WeakPolarHBondContact CA-OG1 3.39Å; S1225-T1228 VanDerWaalsContact CB-OG1 3.26Å; S1225-T1228 WeakPolarHBondContact CB-OG1 3.32Å; T1228-N1505 PolarHBondContact O-ND2 3.37Å
1229T86.2Confident87.3Confident5 Ų537.2 Ų37.23%0.03121%0.214CC..  trans-67.5150.117365.20000110.7T1231 K1232 I1233 P1504 N1505T1229-T1231 VanDerWaalsContact C-N 3.33Å; T1229-T1231 PolarHBondContact O-N 3.48Å; T1229-T1231 PolarHBondContact OG1-OG1 3.43Å; T1229-K1232 PolarHBondContact O-N 3.47Å; T1229-K1232 WeakPolarHBondContact OG1-CB 3.43Å; T1229-K1232 WeakPolarHBondContact OG1-CD 3.32Å; T1229-K1232 VanDerWaalsContact OG1-CG 3.23Å; T1229-K1232 WeakPolarHBondContact OG1-CG 3.37Å; T1229-K1232 PolarHBondContact OG1-N 3.31Å; T1229-I1233 PolarHBondContact O-N 3.1Å; T1229-P1504 HydrophobicContact CG2-CB 3.84Å; T1229-P1504 HydrophobicContact CG2-CG 3.79Å; T1229-N1505 VanDerWaalsContact CA-OD1 3.24Å; T1229-N1505 WeakPolarHBondContact CA-OD1 3.28Å
1230F91.8Very high87.4Confident10 Ų1036.4 Ų36.44%0.04421%0.212CC..Hα-helixtrans-61.7-42.3177.7-59.2-33.8000111.8K1232 I1233 V1234 I1273 L1277 L1299 N1505 F1508F1230-K1232 VanDerWaalsContact C-N 3.31Å; F1230-K1232 PolarHBondContact O-N 3.22Å; F1230-I1233 WeakPolarHBondContact O-CB 3.36Å; F1230-I1233 PolarHBondContact O-N 2.64Å; F1230-V1234 PolarHBondContact O-N 3.39Å; F1230-V1234 VanDerWaalsContact O-N 3.09Å; F1230-I1273 HydrophobicContact CB-CG1 4.38Å; F1230-I1273 HydrophobicContact CD1-CB 4.45Å; F1230-I1273 HydrophobicContact CD1-CG1 4.23Å; F1230-I1273 HydrophobicContact CD1-CG2 4.16Å; F1230-I1273 HydrophobicContact CD2-CG2 4.19Å; F1230-I1273 HydrophobicContact CE1-CG2 4.43Å; F1230-I1273 HydrophobicContact CE2-CG2 4.45Å; F1230-I1273 HydrophobicContact CG-CG1 4.43Å; F1230-I1273 HydrophobicContact CG-CG2 4.04Å; F1230-L1277 HydrophobicContact CE2-CD1 4.46Å; F1230-L1277 HydrophobicContact CE2-CD2 3.97Å; F1230-L1277 HydrophobicContact CE2-CG 4.09Å; F1230-L1277 HydrophobicContact CZ-CD2 4.11Å; F1230-L1277 HydrophobicContact CZ-CG 4.03Å; F1230-L1299 HydrophobicContact CB-CD1 4.42Å; F1230-L1299 HydrophobicContact CB-CD2 3.73Å; F1230-N1505 HydrophobicContact CD2-CB 4.25Å; F1230-N1505 HydrophobicContact CE2-CB 3.95Å; F1230-N1505 WeakPolarHBondContact CG-OD1 3.44Å; F1230-N1505 HydrophobicContact CZ-CB 4.25Å; F1230-N1505 PolarHBondContact N-OD1 2.87Å; F1230-F1508 AromaticContact CD2-CD1 3.61Å; F1230-F1508 HydrophobicContact CD2-CD1 3.61Å; F1230-F1508 HydrophobicContact CD2-CE1 4.01Å; F1230-F1508 HydrophobicContact CD2-CG 4.26Å; F1230-F1508 HydrophobicContact CE2-CD1 4Å; F1230-F1508 HydrophobicContact CE2-CE1 4.44Å
1231T89.3Confident87.6Confident56 Ų5634.5 Ų34.534%0.34420%0.203SC..Hα-helixtrans-56.2-40.1175.8550000113T1229 I1233 V1234 N1235 L1299T1229-T1231 VanDerWaalsContact C-N 3.33Å; T1229-T1231 PolarHBondContact O-N 3.48Å; T1229-T1231 PolarHBondContact OG1-OG1 3.43Å; T1231-I1233 VanDerWaalsContact C-N 3.32Å; T1231-I1233 PolarHBondContact O-N 2.94Å; T1231-V1234 PolarHBondContact O-N 3.1Å; T1231-N1235 WeakPolarHBondContact O-CB 3.24Å; T1231-N1235 PolarHBondContact O-N 3.27Å; T1231-N1235 PolarHBondContact O-ND2 3Å; T1231-L1299 HydrophobicContact CG2-CD2 4.04Å
1232K87.6Confident87.8Confident103 Ų10335.5 Ų35.545%0.44821%0.208SC..Hα-helixtrans-68.5-29.6177.2-78.8175.7-177.7171.10113.2T1229 F1230 K1236T1229-K1232 PolarHBondContact O-N 3.47Å; T1229-K1232 WeakPolarHBondContact OG1-CB 3.43Å; T1229-K1232 WeakPolarHBondContact OG1-CD 3.32Å; T1229-K1232 VanDerWaalsContact OG1-CG 3.23Å; T1229-K1232 WeakPolarHBondContact OG1-CG 3.37Å; T1229-K1232 PolarHBondContact OG1-N 3.31Å; F1230-K1232 VanDerWaalsContact C-N 3.31Å; F1230-K1232 PolarHBondContact O-N 3.22Å; K1232-K1236 VanDerWaalsContact O-CG 3.31Å; K1232-K1236 WeakPolarHBondContact O-CG 3.43Å; K1232-K1236 PolarHBondContact O-N 2.75Å
1233I92.3Very high87.9Confident7 Ų734 Ų344%0.03620%0.203CC..Hα-helixtrans-70.7-47.9175.7-61.2172.6000108.8I1221 T1229 F1230 T1231 K1236 W1237 I1269 R1272I1221-I1233 HydrophobicContact CG2-CG2 4.06Å; T1229-I1233 PolarHBondContact O-N 3.1Å; F1230-I1233 WeakPolarHBondContact O-CB 3.36Å; F1230-I1233 PolarHBondContact O-N 2.64Å; T1231-I1233 VanDerWaalsContact C-N 3.32Å; T1231-I1233 PolarHBondContact O-N 2.94Å; I1233-K1236 PolarHBondContact O-N 3.35Å; I1233-W1237 PolarHBondContact O-N 3.43Å; I1233-I1269 HydrophobicContact CG2-CD1 4Å; I1233-I1269 HydrophobicContact CG2-CG2 4.1Å; I1233-R1272 HydrophobicContact CD1-CG 4.13Å
1234V94.3Very high88.3Confident0 Ų032 Ų320%019%0.193CC..Hα-helixtrans-65.6-43.7179.9175.30000111.9F1230 T1231 K1236 W1237 N1238 I1273 L1299 M1301F1230-V1234 PolarHBondContact O-N 3.39Å; F1230-V1234 VanDerWaalsContact O-N 3.09Å; T1231-V1234 PolarHBondContact O-N 3.1Å; V1234-K1236 VanDerWaalsContact C-N 3.27Å; V1234-K1236 PolarHBondContact O-N 3.43Å; V1234-W1237 CarbonylContact O-C 3.49Å; V1234-W1237 WeakPolarHBondContact O-CA 3.41Å; V1234-W1237 WeakPolarHBondContact O-CB 3.18Å; V1234-W1237 PolarHBondContact O-N 3.14Å; V1234-N1238 VanDerWaalsContact O-CG 3.26Å; V1234-N1238 PolarHBondContact O-N 2.94Å; V1234-N1238 PolarHBondContact O-OD1 2.76Å; V1234-I1273 HydrophobicContact CG2-CD1 3.83Å; V1234-L1299 HydrophobicContact CB-CB 4.36Å; V1234-L1299 HydrophobicContact CG1-CB 4.29Å; V1234-L1299 WeakPolarHBondContact CG1-O 3.41Å; V1234-L1299 HydrophobicContact CG2-CB 3.96Å; V1234-L1299 HydrophobicContact CG2-CD1 4Å; V1234-L1299 HydrophobicContact CG2-CG 4.48Å; V1234-M1301 VanDerWaalsContact CG1-CA 3.41Å; V1234-M1301 HydrophobicContact CG1-CB 3.64Å; V1234-M1301 HydrophobicContact CG1-CG 4.07Å
1235N91.1Very high88.8Confident82 Ų8229.8 Ų29.844%0.43917%0.174SC..Hα-helixtrans-57.6-41.2175.5-71.9-14.3000112.1T1231 N1238 T1239T1231-N1235 WeakPolarHBondContact O-CB 3.24Å; T1231-N1235 PolarHBondContact O-N 3.27Å; T1231-N1235 PolarHBondContact O-ND2 3Å; N1235-N1238 PolarHBondContact O-N 2.95Å; N1235-T1239 PolarHBondContact O-N 3.42Å; N1235-T1239 PolarHBondContact O-OG1 3.22Å
1236K92Very high89.9Confident87 Ų8729.5 Ų29.538%0.37817%0.172SC..Hα-helixtrans-67.8-36.7176.1-72.9179.3178.4-171.80112.6I1221 K1232 I1233 V1234 A1240I1221-K1236 HydrophobicContact CD1-CB 3.77Å; I1221-K1236 WeakPolarHBondContact CD1-O 3.48Å; I1221-K1236 HydrophobicContact CG1-CB 3.86Å; I1221-K1236 HydrophobicContact CG1-CD 4.35Å; I1221-K1236 HydrophobicContact CG2-CB 4Å; I1221-K1236 HydrophobicContact CG2-CD 4.36Å; K1232-K1236 VanDerWaalsContact O-CG 3.31Å; K1232-K1236 WeakPolarHBondContact O-CG 3.43Å; K1232-K1236 PolarHBondContact O-N 2.75Å; I1233-K1236 PolarHBondContact O-N 3.35Å; V1234-K1236 VanDerWaalsContact C-N 3.27Å; V1234-K1236 PolarHBondContact O-N 3.43Å; K1236-A1240 WeakPolarHBondContact O-CB 3.28Å; K1236-A1240 PolarHBondContact O-N 2.93Å; K1236-A1240 VanDerWaalsContact O-N 3.09Å
1237W95.4Very high91.1Very high0 Ų027.6 Ų27.60%015%0.151CC..Hα-helixtrans-61.2-52.3172.2161.5-101.9000110.2F1214 V1218 I1233 V1234 T1239 A1240 L1241 L1262 C1265 E1266 I1269 M1301 L1302F1214-W1237 HydrophobicContact CE1-CZ3 4.4Å; F1214-W1237 HydrophobicContact CZ-CH2 4.2Å; F1214-W1237 AromaticContact CZ-CZ3 3.82Å; F1214-W1237 HydrophobicContact CZ-CZ3 3.82Å; V1218-W1237 HydrophobicContact CG2-CE3 4.12Å; V1218-W1237 HydrophobicContact CG2-CZ3 3.9Å; I1233-W1237 PolarHBondContact O-N 3.43Å; V1234-W1237 CarbonylContact O-C 3.49Å; V1234-W1237 WeakPolarHBondContact O-CA 3.41Å; V1234-W1237 WeakPolarHBondContact O-CB 3.18Å; V1234-W1237 PolarHBondContact O-N 3.14Å; W1237-T1239 VanDerWaalsContact C-N 3.34Å; W1237-T1239 PolarHBondContact O-N 2.83Å; W1237-A1240 PolarHBondContact O-N 3.39Å; W1237-L1241 HydrophobicContact CH2-CD1 4.31Å; W1237-L1241 HydrophobicContact CZ2-CB 4.43Å; W1237-L1241 HydrophobicContact CZ2-CD1 4.18Å; W1237-L1241 HydrophobicContact CZ2-CD2 3.84Å; W1237-L1241 HydrophobicContact CZ2-CG 4.38Å; W1237-L1241 WeakPolarHBondContact O-CB 3.19Å; W1237-L1241 PolarHBondContact O-N 3.36Å; W1237-L1262 HydrophobicContact CH2-CD2 4.39Å; W1237-C1265 HydrophobicContact CH2-CB 4.14Å; W1237-C1265 HydrophobicContact CZ3-CB 3.82Å; W1237-E1266 HydrophobicContact CH2-CB 4.1Å; W1237-E1266 HydrophobicContact CZ2-CB 3.91Å; W1237-E1266 HydrophobicContact CZ2-CG 4.48Å; W1237-I1269 HydrophobicContact CB-CG1 4.49Å; W1237-I1269 HydrophobicContact CB-CG2 4.44Å; W1237-I1269 HydrophobicContact CD2-CG1 4.37Å; W1237-I1269 HydrophobicContact CE3-CG1 4.09Å; W1237-M1301 HydrophobicContact CD2-CE 4.35Å; W1237-M1301 HydrophobicContact CG-CE 4.24Å; W1237-M1301 HydrophobicContact CZ2-CE 4.46Å; W1237-L1302 PolarHBondContact NE1-O 3Å
1238N95.2Very high92.3Very high18 Ų1825.6 Ų25.610%0.09613%0.134CC..Hα-helixtrans-56.3-46.4178.5-65-10000111.3V1234 N1235 A1240 L1241 I1242 G1300 L1302V1234-N1238 VanDerWaalsContact O-CG 3.26Å; V1234-N1238 PolarHBondContact O-N 2.94Å; V1234-N1238 PolarHBondContact O-OD1 2.76Å; N1235-N1238 PolarHBondContact O-N 2.95Å; N1238-A1240 VanDerWaalsContact C-N 3.32Å; N1238-A1240 PolarHBondContact O-N 3.34Å; N1238-L1241 PolarHBondContact O-N 2.8Å; N1238-I1242 WeakPolarHBondContact O-CB 3.35Å; N1238-I1242 WeakPolarHBondContact O-CD1 3.38Å; N1238-I1242 WeakPolarHBondContact O-CG1 3.27Å; N1238-I1242 PolarHBondContact O-N 3.23Å; N1238-G1300 PolarHBondContact ND2-O 3.38Å; N1238-L1302 HydrophobicContact CB-CD1 4.06Å; N1238-L1302 HydrophobicContact CB-CG 4.26Å; N1238-L1302 PolarHBondContact OD1-N 3.37Å
1239T92.8Very high92.8Very high56 Ų5623.9 Ų23.934%0.34412%0.123SC..Hα-helixtrans-62.5-39.3177.4-44.40000112.3N1235 W1237 G1243 P1426 F1427N1235-T1239 PolarHBondContact O-N 3.42Å; N1235-T1239 PolarHBondContact O-OG1 3.22Å; W1237-T1239 VanDerWaalsContact C-N 3.34Å; W1237-T1239 PolarHBondContact O-N 2.83Å; T1239-G1243 PolarHBondContact O-N 3.02Å; T1239-P1426 HydrophobicContact CG2-CG 3.68Å; T1239-F1427 HydrophobicContact CG2-CE2 3.79Å; T1239-F1427 HydrophobicContact CG2-CZ 4.46Å
1240A94.3Very high92.9Very high6 Ų623.6 Ų23.65%0.0512%0.121CC..Hα-helixtrans-71-40.4178.200000112F1214 R1217 I1221 K1236 W1237 N1238 L1244F1214-A1240 HydrophobicContact CE2-CB 4.3Å; R1217-A1240 HydrophobicContact CG-CB 4.06Å; I1221-A1240 HydrophobicContact CD1-CB 4.27Å; K1236-A1240 WeakPolarHBondContact O-CB 3.28Å; K1236-A1240 PolarHBondContact O-N 2.93Å; K1236-A1240 VanDerWaalsContact O-N 3.09Å; W1237-A1240 PolarHBondContact O-N 3.39Å; N1238-A1240 VanDerWaalsContact C-N 3.32Å; N1238-A1240 PolarHBondContact O-N 3.34Å; A1240-L1244 PolarHBondContact O-N 3.44Å; A1240-L1244 VanDerWaalsContact O-N 3.08Å
1241L94.9Very high92.9Very high0 Ų023.1 Ų23.10%012%0.119CC..Hα-helixtrans-68.9-46.8179.2-178.266000111.3F1214 W1237 N1238 G1243 L1244 M1245 L1262 L1302 M1304 L1342F1214-L1241 HydrophobicContact CZ-CD1 4.42Å; W1237-L1241 HydrophobicContact CH2-CD1 4.31Å; W1237-L1241 HydrophobicContact CZ2-CB 4.43Å; W1237-L1241 HydrophobicContact CZ2-CD1 4.18Å; W1237-L1241 HydrophobicContact CZ2-CD2 3.84Å; W1237-L1241 HydrophobicContact CZ2-CG 4.38Å; W1237-L1241 WeakPolarHBondContact O-CB 3.19Å; W1237-L1241 PolarHBondContact O-N 3.36Å; N1238-L1241 PolarHBondContact O-N 2.8Å; L1241-G1243 VanDerWaalsContact C-N 3.34Å; L1241-G1243 PolarHBondContact O-N 3.01Å; L1241-L1244 PolarHBondContact O-N 3.23Å; L1241-M1245 HydrophobicContact CD1-CG 3.98Å; L1241-M1245 HydrophobicContact CG-CG 4.3Å; L1241-M1245 WeakPolarHBondContact O-CB 3.33Å; L1241-M1245 WeakPolarHBondContact O-CG 3.34Å; L1241-M1245 PolarHBondContact O-N 3.42Å; L1241-L1262 HydrophobicContact CD1-CD2 3.52Å; L1241-L1302 HydrophobicContact CD2-CB 3.98Å; L1241-M1304 HydrophobicContact CD1-CB 4.07Å; L1241-M1304 HydrophobicContact CD2-CB 4.25Å; L1241-L1342 HydrophobicContact CD2-CD2 4.01Å; L1241-L1342 HydrophobicContact CG-CD2 3.92Å
1242I94.7Very high92.9Very high25 Ų2520.5 Ų20.513%0.12810%0.103CC..Hα-helixtrans-58.6-50174-65.3165.8000109N1238 L1244 M1245 T1246 L1302 L1342 F1427 W1439 L1441N1238-I1242 WeakPolarHBondContact O-CB 3.35Å; N1238-I1242 WeakPolarHBondContact O-CD1 3.38Å; N1238-I1242 WeakPolarHBondContact O-CG1 3.27Å; N1238-I1242 PolarHBondContact O-N 3.23Å; I1242-L1244 PolarHBondContact O-N 3.12Å; I1242-L1244 VanDerWaalsContact O-N 3.15Å; I1242-M1245 PolarHBondContact O-N 3.31Å; I1242-T1246 HydrophobicContact CG2-CG2 3.64Å; I1242-T1246 WeakPolarHBondContact O-CB 3.46Å; I1242-T1246 WeakPolarHBondContact O-CG2 3.43Å; I1242-T1246 PolarHBondContact O-N 3.46Å; I1242-T1246 PolarHBondContact O-OG1 3.33Å; I1242-L1302 HydrophobicContact CD1-CD1 3.6Å; I1242-L1302 HydrophobicContact CG1-CD1 3.58Å; I1242-L1342 HydrophobicContact CG1-CD2 4.37Å; I1242-F1427 HydrophobicContact CB-CZ 4.28Å; I1242-F1427 HydrophobicContact CG2-CE1 3.97Å; I1242-F1427 HydrophobicContact CG2-CZ 3.82Å; I1242-W1439 HydrophobicContact CG2-CD2 4.41Å; I1242-W1439 HydrophobicContact CG2-CZ2 4.31Å; I1242-L1441 HydrophobicContact CD1-CD1 3.9Å; I1242-L1441 HydrophobicContact CG1-CD1 4.01Å
1243G92.8Very high92.6Very high8 Ų818 Ų188%0.08210%0.096CC..Hα-helixtrans-58.8-28.4179.800000114.5T1239 L1241 Y1247T1239-G1243 PolarHBondContact O-N 3.02Å; L1241-G1243 VanDerWaalsContact C-N 3.34Å; L1241-G1243 PolarHBondContact O-N 3.01Å; G1243-Y1247 WeakPolarHBondContact O-CB 3.46Å
1244L93.7Very high92.2Very high10 Ų1019.6 Ų19.65%0.05211%0.108CC..Hα-helixtrans-77.1-54.5172.3-179.380000111.3F1214 A1240 L1241 I1242 Y1247 Y1248 L1258 L1262F1214-L1244 HydrophobicContact CB-CD1 4.13Å; F1214-L1244 HydrophobicContact CD1-CD2 4.12Å; F1214-L1244 HydrophobicContact CD2-CB 3.91Å; F1214-L1244 HydrophobicContact CD2-CD1 4.11Å; F1214-L1244 HydrophobicContact CD2-CD2 3.8Å; F1214-L1244 HydrophobicContact CD2-CG 4.16Å; F1214-L1244 HydrophobicContact CE1-CD2 4.14Å; F1214-L1244 HydrophobicContact CE2-CB 4Å; F1214-L1244 HydrophobicContact CE2-CD2 3.82Å; F1214-L1244 HydrophobicContact CE2-CG 4.43Å; F1214-L1244 HydrophobicContact CG-CD1 4.16Å; F1214-L1244 HydrophobicContact CG-CD2 3.96Å; F1214-L1244 HydrophobicContact CZ-CD2 3.99Å; A1240-L1244 PolarHBondContact O-N 3.44Å; A1240-L1244 VanDerWaalsContact O-N 3.08Å; L1241-L1244 PolarHBondContact O-N 3.23Å; I1242-L1244 PolarHBondContact O-N 3.12Å; I1242-L1244 VanDerWaalsContact O-N 3.15Å; L1244-Y1247 PolarHBondContact O-N 3.44Å; L1244-Y1248 HydrophobicContact CD1-CD2 3.57Å; L1244-Y1248 HydrophobicContact CD1-CE2 3.68Å; L1244-Y1248 HydrophobicContact CG-CD2 4.19Å; L1244-Y1248 WeakPolarHBondContact O-CD2 3.36Å; L1244-Y1248 PolarHBondContact O-N 2.79Å; L1244-L1258 HydrophobicContact CD2-CD1 4.12Å; L1244-L1258 HydrophobicContact CD2-CD2 4.35Å; L1244-L1262 HydrophobicContact CD2-CD2 3.91Å
1245M93.7Very high91.9Very high1 Ų119.7 Ų19.71%0.00511%0.109CC..Hα-helixtrans-70.5-34.6-171.5-67.3-54.5-57.400112.8L1241 I1242 Y1247 R1249 A1252 L1262 M1304 L1342 F1343 I1346L1241-M1245 HydrophobicContact CD1-CG 3.98Å; L1241-M1245 HydrophobicContact CG-CG 4.3Å; L1241-M1245 WeakPolarHBondContact O-CB 3.33Å; L1241-M1245 WeakPolarHBondContact O-CG 3.34Å; L1241-M1245 PolarHBondContact O-N 3.42Å; I1242-M1245 PolarHBondContact O-N 3.31Å; M1245-Y1247 VanDerWaalsContact C-N 3.34Å; M1245-R1249 WeakPolarHBondContact O-CA 3.32Å; M1245-R1249 VanDerWaalsContact O-CG 3.29Å; M1245-R1249 WeakPolarHBondContact O-CG 3.48Å; M1245-R1249 PolarHBondContact O-N 3.21Å; M1245-A1252 HydrophobicContact CE-CB 3.84Å; M1245-A1252 HydrophobicContact SD-CB 4.02Å; M1245-L1262 HydrophobicContact SD-CD1 4.43Å; M1245-M1304 HydrophobicContact CE-CE 3.62Å; M1245-M1304 HydrophobicContact CE-SD 4.02Å; M1245-M1304 HydrophobicContact SD-CE 4.31Å; M1245-M1304 HydrophobicContact SD-CG 4.2Å; M1245-M1304 HydrophobicContact SD-SD 4.46Å; M1245-L1342 HydrophobicContact CB-CD2 4.1Å; M1245-L1342 HydrophobicContact CG-CD2 4.05Å; M1245-F1343 HydrophobicContact CE-CB 4.04Å; M1245-F1343 HydrophobicContact CE-CD2 4.07Å; M1245-I1346 HydrophobicContact CB-CD1 3.78Å
1246T94Very high91.7Very high0 Ų018.2 Ų18.20%010%0.103CC..Hα-helixtrans-77.1-22.2177.162.70000112.8I1242 R1249 I1346 W1349 W1439I1242-T1246 HydrophobicContact CG2-CG2 3.64Å; I1242-T1246 WeakPolarHBondContact O-CB 3.46Å; I1242-T1246 WeakPolarHBondContact O-CG2 3.43Å; I1242-T1246 PolarHBondContact O-N 3.46Å; I1242-T1246 PolarHBondContact O-OG1 3.33Å; T1246-R1249 WeakPolarHBondContact O-CG 3.38Å; T1246-R1249 PolarHBondContact O-NE 3.39Å; T1246-I1346 HydrophobicContact CG2-CD1 3.83Å; T1246-I1346 HydrophobicContact CG2-CG1 4.46Å; T1246-W1349 WeakPolarHBondContact O-CZ2 3.46Å; T1246-W1439 HydrophobicContact CG2-CB 3.87Å; T1246-W1439 HydrophobicContact CG2-CD2 3.87Å; T1246-W1439 HydrophobicContact CG2-CE3 3.97Å; T1246-W1439 HydrophobicContact CG2-CG 3.83Å
1247Y94.7Very high91.5Very high5 Ų516.7 Ų16.72%0.0211%0.106CC..Hα-helixtrans-81.9-51.7175-174.4-104.3000111.9P920 P921 C1162 F1164 G1243 L1244 M1245 W1349 W1428 W1429P920-Y1247 HydrophobicContact CB-CE2 4.05Å; P920-Y1247 WeakPolarHBondContact CB-OH 3.48Å; P920-Y1247 HydrophobicContact CG-CE2 4.23Å; P921-Y1247 HydrophobicContact CG-CD2 4.14Å; P921-Y1247 HydrophobicContact CG-CE2 4.03Å; C1162-Y1247 WeakPolarHBondContact O-CE1 3.31Å; C1162-Y1247 PolarHBondContact O-OH 3.09Å; F1164-Y1247 HydrophobicContact CE2-CD1 4.34Å; F1164-Y1247 AromaticContact CE2-CE1 3.81Å; F1164-Y1247 HydrophobicContact CE2-CE1 3.81Å; F1164-Y1247 HydrophobicContact CZ-CD1 4.48Å; F1164-Y1247 HydrophobicContact CZ-CE1 4.39Å; F1164-Y1247 WeakPolarHBondContact CZ-O 3.41Å; G1243-Y1247 WeakPolarHBondContact O-CB 3.46Å; L1244-Y1247 PolarHBondContact O-N 3.44Å; M1245-Y1247 VanDerWaalsContact C-N 3.34Å; Y1247-W1349 PolarHBondContact O-NE1 2.96Å; Y1247-W1428 HydrophobicContact CE2-CZ2 4.44Å; Y1247-W1429 HydrophobicContact CD2-CB 4.14Å; Y1247-W1429 AromaticContact CD2-CD1 3.45Å; Y1247-W1429 VanDerWaalsContact CD2-CD1 3.45Å; Y1247-W1429 AromaticContact CD2-CD2 3.58Å; Y1247-W1429 HydrophobicContact CD2-CD2 3.58Å; Y1247-W1429 AromaticContact CD2-CE2 3.66Å; Y1247-W1429 HydrophobicContact CD2-CE3 4.24Å; Y1247-W1429 AromaticContact CD2-CG 3.49Å; Y1247-W1429 HydrophobicContact CD2-CG 3.49Å; Y1247-W1429 VanDerWaalsContact CD2-CG 3.49Å; Y1247-W1429 HydrophobicContact CD2-CZ2 4.39Å; Y1247-W1429 AromaticContact CD2-NE1 3.56Å; Y1247-W1429 HydrophobicContact CE2-CB 3.82Å; Y1247-W1429 AromaticContact CE2-CD1 3.96Å; Y1247-W1429 HydrophobicContact CE2-CD2 4.1Å; Y1247-W1429 AromaticContact CE2-CG 3.71Å; Y1247-W1429 HydrophobicContact CE2-CG 3.71Å
1248Y94.5Very high91.3Very high19 Ų1916.7 Ų16.78%0.07511%0.106CC..Hα-helixtrans-89.7-26.5-175.3-68.2-66.4000114.9G1163 F1164 V1206 S1210 L1244 E1250 A1251G1163-Y1248 VanDerWaalsContact O-CE1 3.24Å; G1163-Y1248 WeakPolarHBondContact O-CE1 3.25Å; F1164-Y1248 HydrophobicContact CD1-CD1 4.01Å; F1164-Y1248 HydrophobicContact CD2-CD1 4.45Å; F1164-Y1248 HydrophobicContact CD2-CE1 4.36Å; F1164-Y1248 AromaticContact CE1-CD1 3.72Å; F1164-Y1248 HydrophobicContact CE1-CD1 3.72Å; F1164-Y1248 HydrophobicContact CE2-CD1 4.17Å; F1164-Y1248 HydrophobicContact CE2-CE1 4.28Å; F1164-Y1248 HydrophobicContact CG-CD1 4.38Å; F1164-Y1248 AromaticContact CZ-CD1 3.81Å; F1164-Y1248 HydrophobicContact CZ-CD1 3.81Å; F1164-Y1248 HydrophobicContact CZ-CE1 4.37Å; V1206-Y1248 HydrophobicContact CB-CD1 4.47Å; V1206-Y1248 HydrophobicContact CG1-CD1 4.15Å; V1206-Y1248 HydrophobicContact CG1-CD2 4.14Å; V1206-Y1248 HydrophobicContact CG1-CE1 4.02Å; V1206-Y1248 HydrophobicContact CG1-CE2 3.99Å; V1206-Y1248 HydrophobicContact CG1-CG 4.23Å; V1206-Y1248 HydrophobicContact CG2-CD1 3.83Å; V1206-Y1248 HydrophobicContact CG2-CD2 4.22Å; V1206-Y1248 HydrophobicContact CG2-CG 3.69Å; S1210-Y1248 WeakPolarHBondContact CB-OH 3.22Å; S1210-Y1248 PolarHBondContact OG-OH 2.99Å; L1244-Y1248 HydrophobicContact CD1-CD2 3.57Å; L1244-Y1248 HydrophobicContact CD1-CE2 3.68Å; L1244-Y1248 HydrophobicContact CG-CD2 4.19Å; L1244-Y1248 WeakPolarHBondContact O-CD2 3.36Å; L1244-Y1248 PolarHBondContact O-N 2.79Å; Y1248-E1250 PolarHBondContact O-N 3.46Å; Y1248-A1251 WeakPolarHBondContact O-CB 3.4Å; Y1248-A1251 PolarHBondContact O-N 2.86Å
1249R92.8Very high91Very high3 Ų316 Ų161%0.01110%0.103CC..THydrogen-bonded Turntrans44.9-105.8177.7-53-166.8-179.3-169.116.4113.4M1245 T1246 A1251 A1252 F1343 I1346 L1347 W1349 E1352 L1438M1245-R1249 WeakPolarHBondContact O-CA 3.32Å; M1245-R1249 VanDerWaalsContact O-CG 3.29Å; M1245-R1249 WeakPolarHBondContact O-CG 3.48Å; M1245-R1249 PolarHBondContact O-N 3.21Å; T1246-R1249 WeakPolarHBondContact O-CG 3.38Å; T1246-R1249 PolarHBondContact O-NE 3.39Å; R1249-A1251 PolarHBondContact O-N 3.43Å; R1249-A1252 WeakPolarHBondContact O-CB 3.46Å; R1249-A1252 PolarHBondContact O-N 2.91Å; R1249-F1343 WeakPolarHBondContact O-CE2 3.49Å; R1249-I1346 HydrophobicContact CG-CG2 3.9Å; R1249-L1347 WeakPolarHBondContact CD-O 3.38Å; R1249-L1347 PolarHBondContact NH1-O 3.29Å; R1249-W1349 HydrophobicContact CG-CG 4.42Å; R1249-E1352 IonicContact CZ-OE2 3.95Å; R1249-E1352 IonicContact NH1-OE2 3.63Å; R1249-E1352 PolarHBondContact NH1-OE2 3Å; R1249-E1352 IonicContact NH2-OE1 3.89Å; R1249-E1352 IonicContact NH2-OE2 3.44Å; R1249-E1352 PolarHBondContact NH2-OE2 3.38Å; R1249-L1438 PolarHBondContact NH2-O 2.94Å
1250E88.6Confident90.8Very high0 Ų014.9 Ų14.90%010%0.095CC..THydrogen-bonded Turntrans-68.8-28.7-174.272.6-144125.900114.3S1185 W1188 L1204 Y1248 A1252 V1253 S1348 W1349S1185-E1250 VanDerWaalsContact O-CB 3.3Å; S1185-E1250 WeakPolarHBondContact O-CB 3.24Å; W1188-E1250 PolarHBondContact NE1-OE1 2.91Å; W1188-E1250 PolarHBondContact NE1-OE2 3.26Å; L1204-E1250 HydrophobicContact CD1-CG 3.78Å; Y1248-E1250 PolarHBondContact O-N 3.46Å; E1250-A1252 PolarHBondContact O-N 2.87Å; E1250-V1253 PolarHBondContact O-N 3.28Å; E1250-S1348 WeakPolarHBondContact OE2-CB 3.27Å; E1250-W1349 WeakPolarHBondContact OE1-CB 3.37Å; E1250-W1349 PolarHBondContact OE1-N 3.5Å
1251A92.4Very high90.6Very high0 Ų015.8 Ų15.80%010%0.098CC..Hα-helixtrans-65.6-20176.700000112.9F1164 L1204 V1206 Y1248 R1249 V1253 S1254 T1255F1164-A1251 HydrophobicContact CD1-CB 3.99Å; F1164-A1251 HydrophobicContact CE1-CB 4.12Å; L1204-A1251 HydrophobicContact CB-CB 3.87Å; V1206-A1251 HydrophobicContact CG2-CB 4.04Å; Y1248-A1251 WeakPolarHBondContact O-CB 3.4Å; Y1248-A1251 PolarHBondContact O-N 2.86Å; R1249-A1251 PolarHBondContact O-N 3.43Å; A1251-V1253 VanDerWaalsContact C-N 3.32Å; A1251-S1254 PolarHBondContact O-OG 3.35Å; A1251-T1255 PolarHBondContact O-OG1 3.08Å
1252A89.3Confident90.5Very high0 Ų015.8 Ų15.80%010%0.098CC..Hα-helixtrans-71-28.6178.400000112.7M1245 R1249 E1250 L1258M1245-A1252 HydrophobicContact CE-CB 3.84Å; M1245-A1252 HydrophobicContact SD-CB 4.02Å; R1249-A1252 WeakPolarHBondContact O-CB 3.46Å; R1249-A1252 PolarHBondContact O-N 2.91Å; E1250-A1252 PolarHBondContact O-N 2.87Å; A1252-L1258 HydrophobicContact CB-CD2 4.04Å
1253V82.1Confident90.3Very high50 Ų5015.5 Ų15.530%0.30310%0.098SC..Hα-helixtrans-79.1-39-176.11790000111.6E1250 A1251 T1255 F1343E1250-V1253 PolarHBondContact O-N 3.28Å; A1251-V1253 VanDerWaalsContact C-N 3.32Å; V1253-T1255 PolarHBondContact O-N 2.77Å; V1253-F1343 HydrophobicContact CG2-CD1 3.85Å; V1253-F1343 HydrophobicContact CG2-CD2 3.8Å; V1253-F1343 HydrophobicContact CG2-CE1 3.63Å; V1253-F1343 HydrophobicContact CG2-CE2 3.58Å; V1253-F1343 HydrophobicContact CG2-CG 3.94Å; V1253-F1343 HydrophobicContact CG2-CZ 3.49Å; V1253-F1343 VanDerWaalsContact CG2-CZ 3.49Å
1254S82.9Confident90.2Very high42 Ų4220.8 Ų20.829%0.29412%0.118SC..Hα-helixtrans-66.7-23.1174.157.10000112.6L1204 A1251 V1256L1204-S1254 WeakPolarHBondContact O-CB 3.46Å; L1204-S1254 PolarHBondContact O-OG 3.14Å; A1251-S1254 PolarHBondContact O-OG 3.35Å; S1254-V1256 PolarHBondContact O-N 3.37Å
1255T89.1Confident90.2Very high1 Ų120.3 Ų20.31%0.00612%0.116CC..  trans-92.485.1-174.8-50.40000111.9V1206 M1211 A1251 V1253 A1257 L1258 L1259V1206-T1255 HydrophobicContact CB-CG2 4.42Å; V1206-T1255 PolarHBondContact N-OG1 2.85Å; M1211-T1255 HydrophobicContact CE-CG2 4.2Å; M1211-T1255 HydrophobicContact SD-CG2 3.72Å; A1251-T1255 PolarHBondContact O-OG1 3.08Å; V1253-T1255 PolarHBondContact O-N 2.77Å; T1255-A1257 VanDerWaalsContact C-N 3.25Å; T1255-A1257 PolarHBondContact O-N 2.74Å; T1255-L1258 HydrophobicContact CG2-CB 3.75Å; T1255-L1258 WeakPolarHBondContact O-CB 3.37Å; T1255-L1258 PolarHBondContact O-N 3.33Å; T1255-L1259 PolarHBondContact O-N 3.08Å
1256V86Confident90.2Very high52 Ų5220.2 Ų20.232%0.31512%0.116SC..Hα-helixtrans-54.9-38.4-180-177.50000112.8S1254 L1258 L1259 D1260 I1309S1254-V1256 PolarHBondContact O-N 3.37Å; V1256-L1258 VanDerWaalsContact C-N 3.27Å; V1256-L1258 PolarHBondContact O-N 3.07Å; V1256-L1259 PolarHBondContact O-N 2.91Å; V1256-D1260 PolarHBondContact O-N 3.1Å; V1256-D1260 VanDerWaalsContact O-N 3.07Å; V1256-I1309 HydrophobicContact CG1-CG2 3.92Å
1257A87.8Confident90.1Very high54 Ų5423.8 Ų23.845%0.44614%0.135SC..Hα-helixtrans-62.2-33.2177.500000113.1M1211 T1255 L1261M1211-A1257 HydrophobicContact CE-CB 4.29Å; M1211-A1257 HydrophobicContact SD-CB 4.24Å; T1255-A1257 VanDerWaalsContact C-N 3.25Å; T1255-A1257 PolarHBondContact O-N 2.74Å; A1257-L1261 WeakPolarHBondContact O-CB 3.44Å; A1257-L1261 PolarHBondContact O-N 3.44Å
1258L91.4Very high90Very high0 Ų028 Ų280%015%0.153CC..Hα-helixtrans-72.3-41.4176.6-17755.9000111.1V1206 M1211 L1244 A1252 T1255 V1256 D1260 L1261 L1262V1206-L1258 HydrophobicContact CB-CD2 4.13Å; V1206-L1258 HydrophobicContact CG1-CD2 4.32Å; V1206-L1258 HydrophobicContact CG2-CD2 3.75Å; M1211-L1258 HydrophobicContact CG-CB 4.41Å; M1211-L1258 HydrophobicContact CG-CD1 4.07Å; M1211-L1258 HydrophobicContact SD-CB 3.71Å; M1211-L1258 HydrophobicContact SD-CD1 4.33Å; L1244-L1258 HydrophobicContact CD2-CD1 4.12Å; L1244-L1258 HydrophobicContact CD2-CD2 4.35Å; A1252-L1258 HydrophobicContact CB-CD2 4.04Å; T1255-L1258 HydrophobicContact CG2-CB 3.75Å; T1255-L1258 WeakPolarHBondContact O-CB 3.37Å; T1255-L1258 PolarHBondContact O-N 3.33Å; V1256-L1258 VanDerWaalsContact C-N 3.27Å; V1256-L1258 PolarHBondContact O-N 3.07Å; L1258-D1260 VanDerWaalsContact C-N 3.31Å; L1258-D1260 PolarHBondContact O-N 3.3Å; L1258-L1261 HydrophobicContact CD1-CD2 4.2Å; L1258-L1261 CarbonylContact O-C 3.16Å; L1258-L1261 WeakPolarHBondContact O-CA 3.18Å; L1258-L1261 WeakPolarHBondContact O-CB 3.19Å; L1258-L1261 PolarHBondContact O-N 2.96Å; L1258-L1261 VanDerWaalsContact O-N 3.09Å; L1258-L1262 HydrophobicContact CD1-CG 4.36Å; L1258-L1262 HydrophobicContact CG-CD1 4.06Å; L1258-L1262 HydrophobicContact CG-CG 4.41Å; L1258-L1262 WeakPolarHBondContact O-CB 3.37Å; L1258-L1262 VanDerWaalsContact O-CG 3.3Å; L1258-L1262 WeakPolarHBondContact O-CG 3.43Å; L1258-L1262 PolarHBondContact O-N 2.82Å
1259L89.5Confident89.9Confident5 Ų527.1 Ų27.13%0.02615%0.15CC..Hα-helixtrans-58.9-44.5174.8-60.4179.3000111T1255 V1256 L1261 L1262 V1263 M1304 I1309T1255-L1259 PolarHBondContact O-N 3.08Å; V1256-L1259 PolarHBondContact O-N 2.91Å; L1259-L1261 VanDerWaalsContact C-N 3.3Å; L1259-L1261 PolarHBondContact O-N 3.01Å; L1259-L1262 HydrophobicContact CD2-CD1 4.45Å; L1259-L1262 PolarHBondContact O-N 3.46Å; L1259-V1263 WeakPolarHBondContact O-CG2 3.47Å; L1259-V1263 PolarHBondContact O-N 3.42Å; L1259-M1304 HydrophobicContact CD2-CE 4.15Å; L1259-I1309 HydrophobicContact CB-CG1 4.45Å
1260D86.7Confident89.9Confident32 Ų3227.4 Ų27.417%0.17115%0.151CC..Hα-helixtrans-60-39.7173.7-92.817.5000112.8V1256 L1258 K1264 I1309 R1328V1256-D1260 PolarHBondContact O-N 3.1Å; V1256-D1260 VanDerWaalsContact O-N 3.07Å; L1258-D1260 VanDerWaalsContact C-N 3.31Å; L1258-D1260 PolarHBondContact O-N 3.3Å; D1260-K1264 WeakPolarHBondContact O-CB 3.49Å; D1260-K1264 WeakPolarHBondContact O-CD 3.36Å; D1260-K1264 WeakPolarHBondContact O-CG 3.2Å; D1260-K1264 PolarHBondContact O-N 3.43Å; D1260-K1264 VanDerWaalsContact O-N 3.13Å; D1260-I1309 VanDerWaalsContact OD1-CD1 3.25Å; D1260-I1309 WeakPolarHBondContact OD1-CD1 3.37Å; D1260-R1328 IonicContact OD1-CZ 2.72Å; D1260-R1328 IonicContact OD1-NH2 3.46Å; D1260-R1328 PolarHBondContact OD1-NH2 3.08Å; D1260-R1328 IonicContact OD2-CZ 3.06Å; D1260-R1328 IonicContact OD2-NH2 3.08Å; D1260-R1328 PolarHBondContact OD2-NH2 2.75Å
1261L90.9Very high89.9Confident25 Ų2529.2 Ų29.213%0.13116%0.162CC..Hα-helixtrans-67.7-41.8176.8-179.562.8000111.8M1211 F1214 H1215 A1257 L1258 L1259 K1264 C1265M1211-L1261 HydrophobicContact CB-CD2 4.26Å; M1211-L1261 WeakPolarHBondContact O-CD2 3.37Å; F1214-L1261 HydrophobicContact CD1-CD2 4.26Å; H1215-L1261 HydrophobicContact CB-CD1 4.03Å; H1215-L1261 HydrophobicContact CB-CD2 4.09Å; A1257-L1261 WeakPolarHBondContact O-CB 3.44Å; A1257-L1261 PolarHBondContact O-N 3.44Å; L1258-L1261 HydrophobicContact CD1-CD2 4.2Å; L1258-L1261 CarbonylContact O-C 3.16Å; L1258-L1261 WeakPolarHBondContact O-CA 3.18Å; L1258-L1261 WeakPolarHBondContact O-CB 3.19Å; L1258-L1261 PolarHBondContact O-N 2.96Å; L1258-L1261 VanDerWaalsContact O-N 3.09Å; L1259-L1261 VanDerWaalsContact C-N 3.3Å; L1259-L1261 PolarHBondContact O-N 3.01Å; L1261-K1264 PolarHBondContact O-N 2.87Å; L1261-C1265 VanDerWaalsContact O-CB 3.27Å; L1261-C1265 WeakPolarHBondContact O-CB 2.82Å; L1261-C1265 PolarHBondContact O-N 2.88Å; L1261-C1265 PolarHBondContact O-SG 2.89Å
1262L93.3Very high89.8Confident0 Ų032.9 Ų32.90%018%0.176CC..Hα-helixtrans-61.4-49.5178-74.7165.8000110.8F1214 W1237 L1241 L1244 M1245 L1258 L1259 K1264 C1265 E1266 M1304F1214-L1262 HydrophobicContact CE1-CD2 3.57Å; F1214-L1262 HydrophobicContact CE1-CG 4.48Å; F1214-L1262 HydrophobicContact CZ-CD2 3.65Å; W1237-L1262 HydrophobicContact CH2-CD2 4.39Å; L1241-L1262 HydrophobicContact CD1-CD2 3.52Å; L1244-L1262 HydrophobicContact CD2-CD2 3.91Å; M1245-L1262 HydrophobicContact SD-CD1 4.43Å; L1258-L1262 HydrophobicContact CD1-CG 4.36Å; L1258-L1262 HydrophobicContact CG-CD1 4.06Å; L1258-L1262 HydrophobicContact CG-CG 4.41Å; L1258-L1262 WeakPolarHBondContact O-CB 3.37Å; L1258-L1262 VanDerWaalsContact O-CG 3.3Å; L1258-L1262 WeakPolarHBondContact O-CG 3.43Å; L1258-L1262 PolarHBondContact O-N 2.82Å; L1259-L1262 HydrophobicContact CD2-CD1 4.45Å; L1259-L1262 PolarHBondContact O-N 3.46Å; L1262-K1264 VanDerWaalsContact C-N 3.34Å; L1262-K1264 PolarHBondContact O-N 3.32Å; L1262-C1265 PolarHBondContact O-N 3.05Å; L1262-C1265 VanDerWaalsContact O-N 3.16Å; L1262-E1266 VanDerWaalsContact O-CB 3.31Å; L1262-E1266 WeakPolarHBondContact O-CB 3.3Å; L1262-E1266 PolarHBondContact O-N 3.13Å; L1262-M1304 HydrophobicContact CD1-CG 3.78Å
1263V90.5Very high89.9Confident19 Ų1932.9 Ų32.912%0.11518%0.176CC..Hα-helixtrans-56-46.9174.5171.10000111.4L1259 C1265 N1267 G1305 I1309 G1330 M1331L1259-V1263 WeakPolarHBondContact O-CG2 3.47Å; L1259-V1263 PolarHBondContact O-N 3.42Å; V1263-C1265 PolarHBondContact O-N 3.28Å; V1263-N1267 WeakPolarHBondContact O-CB 3.35Å; V1263-N1267 PolarHBondContact O-N 2.65Å; V1263-N1267 VanDerWaalsContact O-N 3.09Å; V1263-G1305 WeakPolarHBondContact CG2-O 3.35Å; V1263-I1309 HydrophobicContact CG2-CD1 4.1Å; V1263-G1330 WeakPolarHBondContact CG1-O 3.25Å; V1263-M1331 HydrophobicContact CG1-CG 4.11Å
1264K89.7Confident90.3Very high118 Ų11831.6 Ų31.651%0.51317%0.166SC..Hα-helixtrans-63.4-41.5178.2-74.5166.8-171.9161.60111.9D1260 L1261 L1262 K1268D1260-K1264 WeakPolarHBondContact O-CB 3.49Å; D1260-K1264 WeakPolarHBondContact O-CD 3.36Å; D1260-K1264 WeakPolarHBondContact O-CG 3.2Å; D1260-K1264 PolarHBondContact O-N 3.43Å; D1260-K1264 VanDerWaalsContact O-N 3.13Å; L1261-K1264 PolarHBondContact O-N 2.87Å; L1262-K1264 VanDerWaalsContact C-N 3.34Å; L1262-K1264 PolarHBondContact O-N 3.32Å; K1264-K1268 WeakPolarHBondContact O-CB 3.29Å; K1264-K1268 WeakPolarHBondContact O-CG 3.43Å; K1264-K1268 PolarHBondContact O-N 3.37Å; K1264-K1268 VanDerWaalsContact O-N 3.12Å
1265C94.4Very high90.4Very high0 Ų033.3 Ų33.30%017%0.171CC..Hα-helixtrans-70.7-44.4-178.5-780000112V1218 W1237 L1261 L1262 V1263 K1268 I1269V1218-C1265 HydrophobicContact CB-CB 4.47Å; V1218-C1265 HydrophobicContact CG1-CB 3.97Å; V1218-C1265 HydrophobicContact CG2-CB 4.22Å; W1237-C1265 HydrophobicContact CH2-CB 4.14Å; W1237-C1265 HydrophobicContact CZ3-CB 3.82Å; L1261-C1265 VanDerWaalsContact O-CB 3.27Å; L1261-C1265 WeakPolarHBondContact O-CB 2.82Å; L1261-C1265 PolarHBondContact O-N 2.88Å; L1261-C1265 PolarHBondContact O-SG 2.89Å; L1262-C1265 PolarHBondContact O-N 3.05Å; L1262-C1265 VanDerWaalsContact O-N 3.16Å; V1263-C1265 PolarHBondContact O-N 3.28Å; C1265-K1268 WeakPolarHBondContact O-CB 3.42Å; C1265-K1268 PolarHBondContact O-N 3.11Å; C1265-I1269 WeakPolarHBondContact O-CG1 3.4Å; C1265-I1269 PolarHBondContact O-N 3.19Å
1266E94.1Very high90.3Very high0 Ų035.3 Ų35.30%019%0.192CC..Hα-helixtrans-59.1-50.3176174.2147.4-152.700111.3W1237 L1262 K1268 I1269 Q1270 Y1291 M1301 M1304 G1305 M1331W1237-E1266 HydrophobicContact CH2-CB 4.1Å; W1237-E1266 HydrophobicContact CZ2-CB 3.91Å; W1237-E1266 HydrophobicContact CZ2-CG 4.48Å; L1262-E1266 VanDerWaalsContact O-CB 3.31Å; L1262-E1266 WeakPolarHBondContact O-CB 3.3Å; L1262-E1266 PolarHBondContact O-N 3.13Å; E1266-K1268 VanDerWaalsContact C-N 3.28Å; E1266-K1268 PolarHBondContact O-N 3.25Å; E1266-I1269 PolarHBondContact O-N 3.08Å; E1266-I1269 VanDerWaalsContact O-N 3.11Å; E1266-Q1270 PolarHBondContact O-N 3.01Å; E1266-Y1291 VanDerWaalsContact OE1-CE1 3.3Å; E1266-Y1291 WeakPolarHBondContact OE1-CE1 3.12Å; E1266-Y1291 VanDerWaalsContact OE1-CZ 3.31Å; E1266-Y1291 PolarHBondContact OE1-OH 2.8Å; E1266-M1301 HydrophobicContact CB-CE 4.35Å; E1266-M1301 HydrophobicContact CG-CE 3.65Å; E1266-M1304 PolarHBondContact OE2-N 2.87Å; E1266-G1305 VanDerWaalsContact OE2-CA 3.28Å; E1266-G1305 WeakPolarHBondContact OE2-CA 3.25Å; E1266-G1305 PolarHBondContact OE2-N 2.86Å; E1266-M1331 HydrophobicContact CG-SD 3.92Å
1267N91.3Very high90.2Very high75 Ų7532.9 Ų32.940%0.40118%0.177SC..Hα-helixtrans-62.8-33.2176.3-170.310000112.5V1263 T1271V1263-N1267 WeakPolarHBondContact O-CB 3.35Å; V1263-N1267 PolarHBondContact O-N 2.65Å; V1263-N1267 VanDerWaalsContact O-N 3.09Å; N1267-T1271 WeakPolarHBondContact O-CB 3.11Å; N1267-T1271 PolarHBondContact O-N 2.63Å; N1267-T1271 PolarHBondContact O-OG1 3.3Å; N1267-T1271 PolarHBondContact OD1-OG1 3.22Å
1268K92Very high90Very high94 Ų9435.7 Ų35.741%0.40919%0.185SC..Hα-helixtrans-65.4-41.2173.3-79.7170.7-178.7173.90112.1L1222 K1264 C1265 E1266 T1271 R1272L1222-K1268 HydrophobicContact CD1-CB 4.03Å; L1222-K1268 HydrophobicContact CD1-CD 4.48Å; K1264-K1268 WeakPolarHBondContact O-CB 3.29Å; K1264-K1268 WeakPolarHBondContact O-CG 3.43Å; K1264-K1268 PolarHBondContact O-N 3.37Å; K1264-K1268 VanDerWaalsContact O-N 3.12Å; C1265-K1268 WeakPolarHBondContact O-CB 3.42Å; C1265-K1268 PolarHBondContact O-N 3.11Å; E1266-K1268 VanDerWaalsContact C-N 3.28Å; E1266-K1268 PolarHBondContact O-N 3.25Å; K1268-T1271 PolarHBondContact O-N 3.11Å; K1268-R1272 PolarHBondContact O-N 3.23Å
1269I93.5Very high89.4Confident0 Ų036.6 Ų36.60%019%0.191CC..Hα-helixtrans-65.5-48.1176.4-67.1-72.1000110.5V1218 I1221 L1222 I1233 W1237 C1265 E1266 T1271 R1272 I1273 M1301V1218-I1269 HydrophobicContact CG1-CD1 4.23Å; V1218-I1269 HydrophobicContact CG1-CG1 4.24Å; I1221-I1269 HydrophobicContact CG2-CD1 4.05Å; L1222-I1269 HydrophobicContact CD2-CD1 3.75Å; L1222-I1269 HydrophobicContact CG-CD1 4.14Å; I1233-I1269 HydrophobicContact CG2-CD1 4Å; I1233-I1269 HydrophobicContact CG2-CG2 4.1Å; W1237-I1269 HydrophobicContact CB-CG1 4.49Å; W1237-I1269 HydrophobicContact CB-CG2 4.44Å; W1237-I1269 HydrophobicContact CD2-CG1 4.37Å; W1237-I1269 HydrophobicContact CE3-CG1 4.09Å; C1265-I1269 WeakPolarHBondContact O-CG1 3.4Å; C1265-I1269 PolarHBondContact O-N 3.19Å; E1266-I1269 PolarHBondContact O-N 3.08Å; E1266-I1269 VanDerWaalsContact O-N 3.11Å; I1269-T1271 VanDerWaalsContact C-N 3.33Å; I1269-T1271 PolarHBondContact O-N 3.18Å; I1269-R1272 VanDerWaalsContact O-CB 3.32Å; I1269-R1272 WeakPolarHBondContact O-CB 3.39Å; I1269-R1272 PolarHBondContact O-N 2.84Å; I1269-R1272 VanDerWaalsContact O-N 3.09Å; I1269-I1273 PolarHBondContact O-N 2.74Å; I1269-M1301 HydrophobicContact CB-CE 4.21Å; I1269-M1301 HydrophobicContact CG2-CE 3.97Å; I1269-M1301 HydrophobicContact CG2-SD 4.34Å
1270Q92Very high88.9Confident8 Ų843 Ų434%0.03722%0.219CC..Hα-helixtrans-58.4-45.8173.9-68.1-175.32.400111.4E1266 R1272 I1273 K1274 F1290 Y1291 M1301E1266-Q1270 PolarHBondContact O-N 3.01Å; Q1270-R1272 PolarHBondContact O-N 3.47Å; Q1270-I1273 WeakPolarHBondContact O-CB 3.4Å; Q1270-I1273 PolarHBondContact O-N 3.38Å; Q1270-I1273 VanDerWaalsContact O-N 3.09Å; Q1270-K1274 VanDerWaalsContact O-CG 3.23Å; Q1270-K1274 WeakPolarHBondContact O-CG 3.24Å; Q1270-K1274 PolarHBondContact O-N 2.91Å; Q1270-F1290 HydrophobicContact CB-CD1 4.45Å; Q1270-F1290 HydrophobicContact CB-CE1 4.02Å; Q1270-F1290 HydrophobicContact CB-CE2 4.48Å; Q1270-F1290 HydrophobicContact CB-CZ 4.05Å; Q1270-F1290 HydrophobicContact CG-CD1 4Å; Q1270-F1290 HydrophobicContact CG-CD2 4.26Å; Q1270-F1290 HydrophobicContact CG-CE1 4.06Å; Q1270-F1290 HydrophobicContact CG-CE2 4.29Å; Q1270-F1290 HydrophobicContact CG-CG 4.12Å; Q1270-F1290 HydrophobicContact CG-CZ 4.23Å; Q1270-Y1291 PolarHBondContact NE2-OH 2.79Å; Q1270-M1301 HydrophobicContact CG-CE 4.29Å; Q1270-M1301 HydrophobicContact CG-SD 4.15Å
1271T89.7Confident88.2Confident38 Ų3842.7 Ų42.723%0.23322%0.217CC..Hα-helixtrans-60.2-33177.5-64.60000112.1N1267 K1268 I1269 K1274 I1275N1267-T1271 WeakPolarHBondContact O-CB 3.11Å; N1267-T1271 PolarHBondContact O-N 2.63Å; N1267-T1271 PolarHBondContact O-OG1 3.3Å; N1267-T1271 PolarHBondContact OD1-OG1 3.22Å; K1268-T1271 PolarHBondContact O-N 3.11Å; I1269-T1271 VanDerWaalsContact C-N 3.33Å; I1269-T1271 PolarHBondContact O-N 3.18Å; T1271-K1274 PolarHBondContact O-N 2.93Å; T1271-I1275 HydrophobicContact CG2-CD1 3.88Å; T1271-I1275 HydrophobicContact CG2-CG1 4.33Å; T1271-I1275 WeakPolarHBondContact O-CB 3.24Å; T1271-I1275 WeakPolarHBondContact O-CG1 3.22Å; T1271-I1275 PolarHBondContact O-N 3.5Å
1272R90.3Very high87.5Confident77 Ų7746.2 Ų46.229%0.29124%0.241SC..Hα-helixtrans-64.4-41.6175.1-176.658174.9155.64.1111.9L1222 S1225 G1226 I1233 K1268 I1269 Q1270 G1276L1222-R1272 HydrophobicContact CD2-CB 3.78Å; L1222-R1272 HydrophobicContact CD2-CG 4.01Å; S1225-R1272 PolarHBondContact O-NH2 2.92Å; S1225-R1272 PolarHBondContact OG-NE 3.19Å; S1225-R1272 PolarHBondContact OG-NH2 3.3Å; G1226-R1272 PolarHBondContact O-NH2 3.5Å; I1233-R1272 HydrophobicContact CD1-CG 4.13Å; K1268-R1272 PolarHBondContact O-N 3.23Å; I1269-R1272 VanDerWaalsContact O-CB 3.32Å; I1269-R1272 WeakPolarHBondContact O-CB 3.39Å; I1269-R1272 PolarHBondContact O-N 2.84Å; I1269-R1272 VanDerWaalsContact O-N 3.09Å; Q1270-R1272 PolarHBondContact O-N 3.47Å; R1272-G1276 PolarHBondContact O-N 3.02Å; R1272-G1276 VanDerWaalsContact O-N 3.14Å
1273I91.1Very high86.8Confident1 Ų147.5 Ų47.51%0.00525%0.251CS..Hα-helixtrans-66.6-47.6175.2-64.2156.1000110.3F1230 V1234 I1269 Q1270 I1275 G1276 L1277 F1290 L1299F1230-I1273 HydrophobicContact CB-CG1 4.38Å; F1230-I1273 HydrophobicContact CD1-CB 4.45Å; F1230-I1273 HydrophobicContact CD1-CG1 4.23Å; F1230-I1273 HydrophobicContact CD1-CG2 4.16Å; F1230-I1273 HydrophobicContact CD2-CG2 4.19Å; F1230-I1273 HydrophobicContact CE1-CG2 4.43Å; F1230-I1273 HydrophobicContact CE2-CG2 4.45Å; F1230-I1273 HydrophobicContact CG-CG1 4.43Å; F1230-I1273 HydrophobicContact CG-CG2 4.04Å; V1234-I1273 HydrophobicContact CG2-CD1 3.83Å; I1269-I1273 PolarHBondContact O-N 2.74Å; Q1270-I1273 WeakPolarHBondContact O-CB 3.4Å; Q1270-I1273 PolarHBondContact O-N 3.38Å; Q1270-I1273 VanDerWaalsContact O-N 3.09Å; I1273-I1275 VanDerWaalsContact C-N 3.32Å; I1273-I1275 PolarHBondContact O-N 3.16Å; I1273-G1276 WeakPolarHBondContact O-CA 3.17Å; I1273-G1276 PolarHBondContact O-N 3.02Å; I1273-L1277 PolarHBondContact O-N 3.42Å; I1273-F1290 HydrophobicContact CB-CE1 4.18Å; I1273-F1290 HydrophobicContact CD1-CD1 4.06Å; I1273-F1290 HydrophobicContact CD1-CE1 4.05Å; I1273-F1290 HydrophobicContact CG2-CE1 4.1Å; I1273-L1299 HydrophobicContact CD1-CD1 3.6Å; I1273-L1299 HydrophobicContact CG1-CD1 4.43Å; I1273-L1299 HydrophobicContact CG2-CD1 4.29Å
1274K89.6Confident86.5Confident23 Ų2346.9 Ų46.910%0.125%0.247CC..Hα-helixtrans-51.7-48.7174.9-69.1176.2-174170.40111.3Q1270 T1271 G1276 L1277 N1278 S1279 F1285 F1290Q1270-K1274 VanDerWaalsContact O-CG 3.23Å; Q1270-K1274 WeakPolarHBondContact O-CG 3.24Å; Q1270-K1274 PolarHBondContact O-N 2.91Å; T1271-K1274 PolarHBondContact O-N 2.93Å; K1274-G1276 VanDerWaalsContact C-N 3.3Å; K1274-G1276 PolarHBondContact O-N 3.31Å; K1274-L1277 PolarHBondContact O-N 3.22Å; K1274-L1277 VanDerWaalsContact O-N 3.12Å; K1274-N1278 PolarHBondContact O-N 3.04Å; K1274-S1279 CarbonylContact C-O 3.49Å; K1274-S1279 WeakPolarHBondContact CA-O 3.35Å; K1274-S1279 VanDerWaalsContact CB-O 3.24Å; K1274-S1279 WeakPolarHBondContact CB-O 3.45Å; K1274-S1279 PolarHBondContact O-N 3.42Å; K1274-F1285 HydrophobicContact CB-CD2 4.32Å; K1274-F1285 HydrophobicContact CB-CE2 4.03Å; K1274-F1285 HydrophobicContact CB-CZ 4.35Å; K1274-F1285 HydrophobicContact CD-CB 4.42Å; K1274-F1285 HydrophobicContact CD-CD2 3.95Å; K1274-F1285 HydrophobicContact CD-CG 4.25Å; K1274-F1285 HydrophobicContact CG-CB 4.4Å; K1274-F1285 HydrophobicContact CG-CD1 4.2Å; K1274-F1285 HydrophobicContact CG-CD2 3.56Å; K1274-F1285 HydrophobicContact CG-CE1 4.4Å; K1274-F1285 HydrophobicContact CG-CE2 3.77Å; K1274-F1285 HydrophobicContact CG-CG 3.79Å; K1274-F1285 HydrophobicContact CG-CZ 4.19Å; K1274-F1290 HydrophobicContact CD-CZ 4.46Å; K1274-F1290 VanDerWaalsContact CE-CZ 3.49Å; K1274-F1290 HydrophobicContact CG-CZ 4.16Å
1275I86.3Confident86.3Confident78 Ų7841.8 Ų41.840%0.423%0.225SC..Hα-helixtrans-61.1-36.5175.2-70.3166.4000112.1T1271 I1273 L1277 N1278T1271-I1275 HydrophobicContact CG2-CD1 3.88Å; T1271-I1275 HydrophobicContact CG2-CG1 4.33Å; T1271-I1275 WeakPolarHBondContact O-CB 3.24Å; T1271-I1275 WeakPolarHBondContact O-CG1 3.22Å; T1271-I1275 PolarHBondContact O-N 3.5Å; I1273-I1275 VanDerWaalsContact C-N 3.32Å; I1273-I1275 PolarHBondContact O-N 3.16Å; I1275-L1277 PolarHBondContact O-N 3.08Å; I1275-N1278 PolarHBondContact O-N 3.44Å
1276G85.4Confident85.9Confident42 Ų4243 Ų4343%0.43323%0.233SC..Hα-helixtrans-59-26.917600000114.1R1272 I1273 K1274R1272-G1276 PolarHBondContact O-N 3.02Å; R1272-G1276 VanDerWaalsContact O-N 3.14Å; I1273-G1276 WeakPolarHBondContact O-CA 3.17Å; I1273-G1276 PolarHBondContact O-N 3.02Å; K1274-G1276 VanDerWaalsContact C-N 3.3Å; K1274-G1276 PolarHBondContact O-N 3.31Å
1277L85.4Confident85.6Confident1 Ų144.1 Ų44.11%0.00524%0.24CC..THydrogen-bonded Turntrans-98.7-1.1176.8-63.9171.7000113.6F1230 I1273 K1274 I1275 F1285 T1509 I1516 I1540F1230-L1277 HydrophobicContact CE2-CD1 4.46Å; F1230-L1277 HydrophobicContact CE2-CD2 3.97Å; F1230-L1277 HydrophobicContact CE2-CG 4.09Å; F1230-L1277 HydrophobicContact CZ-CD2 4.11Å; F1230-L1277 HydrophobicContact CZ-CG 4.03Å; I1273-L1277 PolarHBondContact O-N 3.42Å; K1274-L1277 PolarHBondContact O-N 3.22Å; K1274-L1277 VanDerWaalsContact O-N 3.12Å; I1275-L1277 PolarHBondContact O-N 3.08Å; L1277-F1285 HydrophobicContact CB-CZ 4.24Å; L1277-F1285 HydrophobicContact CD1-CE1 3.53Å; L1277-F1285 HydrophobicContact CD1-CZ 3.91Å; L1277-T1509 HydrophobicContact CD2-CG2 3.73Å; L1277-T1509 WeakPolarHBondContact CD2-OG1 3.49Å; L1277-I1516 HydrophobicContact CD1-CD1 4.01Å; L1277-I1540 HydrophobicContact CD2-CG2 4.49Å
1278N83.7Confident85.6Confident113 Ų11340.8 Ų40.860%0.60422%0.222SC*.THydrogen-bonded Turntrans64.333-178.2-165.741.7000114.5K1274 I1275 K1539K1274-N1278 PolarHBondContact O-N 3.04Å; I1275-N1278 PolarHBondContact O-N 3.44Å; N1278-K1539 PolarHBondContact ND2-O 2.9Å
1279S77.6Confident85.6Confident19 Ų1936.3 Ų36.313%0.13320%0.203CC..  trans-141.1146.8172-177.50000110.8K1274 M1281 R1284 F1285K1274-S1279 CarbonylContact C-O 3.49Å; K1274-S1279 WeakPolarHBondContact CA-O 3.35Å; K1274-S1279 VanDerWaalsContact CB-O 3.24Å; K1274-S1279 WeakPolarHBondContact CB-O 3.45Å; K1274-S1279 PolarHBondContact O-N 3.42Å; S1279-M1281 PolarHBondContact OG-N 3.37Å; S1279-R1284 WeakPolarHBondContact OG-CD 3.12Å; S1279-F1285 WeakPolarHBondContact O-CE2 3.24Å
1280K79Confident85.6Confident140 Ų14036.4 Ų36.461%0.60920%0.203SC*.  trans-120.713.3172.5-66.1-173.9178.1-1750112.5P1282K1280-P1282 WeakPolarHBondContact O-CD 3.37Å
1281M73.5Confident85.7Confident26 Ų2636.1 Ų36.113%0.12820%0.202CC..  trans-76.9122.2-170.6-174.8178-69.800110.9S1279 A1283 R1284 F1285 V1521 Y1522 V1523S1279-M1281 PolarHBondContact OG-N 3.37Å; M1281-A1283 VanDerWaalsContact C-N 3.33Å; M1281-A1283 HydrophobicContact CG-CB 4.35Å; M1281-A1283 PolarHBondContact O-N 3.3Å; M1281-R1284 HydrophobicContact CB-CG 4.37Å; M1281-R1284 PolarHBondContact O-N 3.32Å; M1281-R1284 HydrophobicContact SD-CG 4.37Å; M1281-F1285 VanDerWaalsContact O-CD2 3.24Å; M1281-F1285 WeakPolarHBondContact O-CD2 3.38Å; M1281-V1521 HydrophobicContact CE-CB 4.11Å; M1281-V1521 HydrophobicContact SD-CB 3.72Å; M1281-V1521 HydrophobicContact SD-CG1 3.87Å; M1281-Y1522 PolarHBondContact SD-N 3.01Å; M1281-V1523 VanDerWaalsContact CE-N 3.31Å; M1281-V1523 WeakPolarHBondContact CE-O 3.32Å
1282P74.2Confident85.9Confident98 Ų9834.3 Ų34.364%0.63619%0.191SC*.G310 helixtrans-54.6-43.6-178.3-28.236.2000113.9K1280 R1284 F1285K1280-P1282 WeakPolarHBondContact O-CD 3.37Å; P1282-R1284 PolarHBondContact O-N 3.09Å; P1282-F1285 CarbonylContact O-C 3.52Å; P1282-F1285 VanDerWaalsContact O-C 3.23Å; P1282-F1285 WeakPolarHBondContact O-CA 3.33Å; P1282-F1285 PolarHBondContact O-N 3.34Å
1283A78.7Confident86.1Confident27 Ų2731 Ų3122%0.22318%0.18CC..G310 helixtrans-56.1-28.5-179.400000115.1M1281 F1285 R1518M1281-A1283 VanDerWaalsContact C-N 3.33Å; M1281-A1283 HydrophobicContact CG-CB 4.35Å; M1281-A1283 PolarHBondContact O-N 3.3Å; A1283-F1285 VanDerWaalsContact C-N 3.34Å; A1283-R1518 WeakPolarHBondContact O-CD 3.35Å; A1283-R1518 PolarHBondContact O-NH1 3.06Å
1284R84.6Confident86Confident7 Ų737.4 Ų37.43%0.02621%0.207CC..G310 helixtrans-84.1-14177.4-64.8179.6-169.8-120.60.9113.6S1279 M1281 P1282 P1286 I1516 V1521 H1537 I1540S1279-R1284 WeakPolarHBondContact OG-CD 3.12Å; M1281-R1284 HydrophobicContact CB-CG 4.37Å; M1281-R1284 PolarHBondContact O-N 3.32Å; M1281-R1284 HydrophobicContact SD-CG 4.37Å; P1282-R1284 PolarHBondContact O-N 3.09Å; R1284-P1286 WeakPolarHBondContact O-CD 3.18Å; R1284-I1516 VanDerWaalsContact CD-O 3.28Å; R1284-I1516 WeakPolarHBondContact CD-O 3.3Å; R1284-I1516 WeakPolarHBondContact CG-O 3.36Å; R1284-I1516 PolarHBondContact NH1-O 3.49Å; R1284-V1521 HydrophobicContact CG-CG1 4.42Å; R1284-V1521 VanDerWaalsContact NH2-CG1 3.27Å; R1284-H1537 PolarHBondContact NH1-O 3.38Å; R1284-H1537 PolarHBondContact NH2-O 3.16Å; R1284-I1540 VanDerWaalsContact NH1-CD1 3.3Å
1285F86.2Confident85.8Confident10 Ų1040.5 Ų40.54%0.04422%0.222CC..SBendtrans-128.160.9-173.6-60.7-64.7000109.7K1274 L1277 S1279 M1281 P1282 A1283 F1290K1274-F1285 HydrophobicContact CB-CD2 4.32Å; K1274-F1285 HydrophobicContact CB-CE2 4.03Å; K1274-F1285 HydrophobicContact CB-CZ 4.35Å; K1274-F1285 HydrophobicContact CD-CB 4.42Å; K1274-F1285 HydrophobicContact CD-CD2 3.95Å; K1274-F1285 HydrophobicContact CD-CG 4.25Å; K1274-F1285 HydrophobicContact CG-CB 4.4Å; K1274-F1285 HydrophobicContact CG-CD1 4.2Å; K1274-F1285 HydrophobicContact CG-CD2 3.56Å; K1274-F1285 HydrophobicContact CG-CE1 4.4Å; K1274-F1285 HydrophobicContact CG-CE2 3.77Å; K1274-F1285 HydrophobicContact CG-CG 3.79Å; K1274-F1285 HydrophobicContact CG-CZ 4.19Å; L1277-F1285 HydrophobicContact CB-CZ 4.24Å; L1277-F1285 HydrophobicContact CD1-CE1 3.53Å; L1277-F1285 HydrophobicContact CD1-CZ 3.91Å; S1279-F1285 WeakPolarHBondContact O-CE2 3.24Å; M1281-F1285 VanDerWaalsContact O-CD2 3.24Å; M1281-F1285 WeakPolarHBondContact O-CD2 3.38Å; P1282-F1285 CarbonylContact O-C 3.52Å; P1282-F1285 VanDerWaalsContact O-C 3.23Å; P1282-F1285 WeakPolarHBondContact O-CA 3.33Å; P1282-F1285 PolarHBondContact O-N 3.34Å; A1283-F1285 VanDerWaalsContact C-N 3.34Å; F1285-F1290 HydrophobicContact CB-CE2 3.81Å; F1285-F1290 HydrophobicContact CB-CZ 3.91Å; F1285-F1290 HydrophobicContact CD1-CZ 4.2Å; F1285-F1290 HydrophobicContact CG-CZ 4.29Å
1286P85.4Confident86Confident26 Ų2637.9 Ų37.917%0.16921%0.209CC..  trans-59.2159.3167.425.7-30.9000110.4R1284 V1288 V1289 T1515R1284-P1286 WeakPolarHBondContact O-CD 3.18Å; P1286-V1288 HydrophobicContact CB-CG1 3.99Å; P1286-V1288 HydrophobicContact CG-CG1 3.66Å; P1286-V1288 PolarHBondContact O-N 2.87Å; P1286-V1288 VanDerWaalsContact O-N 3.17Å; P1286-V1289 HydrophobicContact CG-CG2 4.18Å; P1286-V1289 PolarHBondContact O-N 2.76Å; P1286-T1515 HydrophobicContact CG-CG2 3.49Å; P1286-T1515 VanDerWaalsContact CG-CG2 3.49Å
1287P88.5Confident86Confident24 Ų2436.4 Ų36.416%0.15619%0.193CC..THydrogen-bonded Turntrans-53.7-35.9-178.119.9-31.8000112.9V1289 F1290 Y1291 I1339P1287-V1289 PolarHBondContact O-N 3.28Å; P1287-V1289 VanDerWaalsContact O-N 3.12Å; P1287-F1290 PolarHBondContact O-N 2.83Å; P1287-Y1291 HydrophobicContact CB-CD2 3.68Å; P1287-Y1291 HydrophobicContact CB-CE2 3.88Å; P1287-Y1291 WeakPolarHBondContact O-CD2 3.28Å; P1287-Y1291 PolarHBondContact O-N 2.85Å; P1287-I1339 HydrophobicContact CB-CD1 3.93Å; P1287-I1339 HydrophobicContact CB-CG1 4.37Å; P1287-I1339 HydrophobicContact CG-CD1 4.34Å
1288V91.1Very high86.2Confident5 Ų536.6 Ų36.63%0.0320%0.195CC..Hα-helixtrans-47.7-42177.967.30000113.3P1286 F1290 T1292 L1452 I1458 W1512P1286-V1288 HydrophobicContact CB-CG1 3.99Å; P1286-V1288 HydrophobicContact CG-CG1 3.66Å; P1286-V1288 PolarHBondContact O-N 2.87Å; P1286-V1288 VanDerWaalsContact O-N 3.17Å; V1288-F1290 PolarHBondContact O-N 2.91Å; V1288-F1290 VanDerWaalsContact O-N 3.12Å; V1288-T1292 VanDerWaalsContact CG2-OG1 3.25Å; V1288-T1292 WeakPolarHBondContact CG2-OG1 3.45Å; V1288-T1292 VanDerWaalsContact O-CB 3.23Å; V1288-T1292 WeakPolarHBondContact O-CB 3.44Å; V1288-T1292 PolarHBondContact O-N 3.47Å; V1288-T1292 VanDerWaalsContact O-N 3.14Å; V1288-T1292 PolarHBondContact O-OG1 3.42Å; V1288-L1452 HydrophobicContact CB-CD2 4.19Å; V1288-L1452 HydrophobicContact CG2-CD1 4.42Å; V1288-I1458 HydrophobicContact CG2-CB 4.47Å; V1288-I1458 HydrophobicContact CG2-CG1 4.1Å; V1288-I1458 HydrophobicContact CG2-CG2 4.26Å; V1288-W1512 HydrophobicContact CG1-CZ3 4.27Å; V1288-W1512 HydrophobicContact CG2-CH2 3.85Å; V1288-W1512 HydrophobicContact CG2-CZ3 3.91Å
1289V92.1Very high86.7Confident0 Ų031.3 Ų31.30%017%0.167CC..Hα-helixtrans-64.1-25.2-178.6179.60000112.7P1286 P1287 F1508 W1512 T1515P1286-V1289 HydrophobicContact CG-CG2 4.18Å; P1286-V1289 PolarHBondContact O-N 2.76Å; P1287-V1289 PolarHBondContact O-N 3.28Å; P1287-V1289 VanDerWaalsContact O-N 3.12Å; V1289-F1508 HydrophobicContact CG1-CE1 4.11Å; V1289-F1508 HydrophobicContact CG1-CZ 3.56Å; V1289-W1512 HydrophobicContact CG1-CD2 4.5Å; V1289-W1512 HydrophobicContact CG1-CG 4.29Å; V1289-W1512 HydrophobicContact CG2-CD2 4.16Å; V1289-W1512 HydrophobicContact CG2-CE3 3.97Å; V1289-W1512 HydrophobicContact CG2-CG 4.46Å; V1289-T1515 HydrophobicContact CG2-CG2 4.28Å
1290F93.3Very high87.4Confident1 Ų131.3 Ų31.30%0.00417%0.17CC..Hα-helixtrans-97-46.4-179.8-58-72000112.7Q1270 I1273 K1274 F1285 P1287 V1288 L1299 G1300 M1301Q1270-F1290 HydrophobicContact CB-CD1 4.45Å; Q1270-F1290 HydrophobicContact CB-CE1 4.02Å; Q1270-F1290 HydrophobicContact CB-CE2 4.48Å; Q1270-F1290 HydrophobicContact CB-CZ 4.05Å; Q1270-F1290 HydrophobicContact CG-CD1 4Å; Q1270-F1290 HydrophobicContact CG-CD2 4.26Å; Q1270-F1290 HydrophobicContact CG-CE1 4.06Å; Q1270-F1290 HydrophobicContact CG-CE2 4.29Å; Q1270-F1290 HydrophobicContact CG-CG 4.12Å; Q1270-F1290 HydrophobicContact CG-CZ 4.23Å; I1273-F1290 HydrophobicContact CB-CE1 4.18Å; I1273-F1290 HydrophobicContact CD1-CD1 4.06Å; I1273-F1290 HydrophobicContact CD1-CE1 4.05Å; I1273-F1290 HydrophobicContact CG2-CE1 4.1Å; K1274-F1290 HydrophobicContact CD-CZ 4.46Å; K1274-F1290 VanDerWaalsContact CE-CZ 3.49Å; K1274-F1290 HydrophobicContact CG-CZ 4.16Å; F1285-F1290 HydrophobicContact CB-CE2 3.81Å; F1285-F1290 HydrophobicContact CB-CZ 3.91Å; F1285-F1290 HydrophobicContact CD1-CZ 4.2Å; F1285-F1290 HydrophobicContact CG-CZ 4.29Å; P1287-F1290 PolarHBondContact O-N 2.83Å; V1288-F1290 PolarHBondContact O-N 2.91Å; V1288-F1290 VanDerWaalsContact O-N 3.12Å; F1290-L1299 HydrophobicContact CD1-CD1 4.11Å; F1290-G1300 PolarHBondContact O-N 3.42Å; F1290-M1301 HydrophobicContact CB-CB 4.38Å; F1290-M1301 HydrophobicContact CB-SD 4.36Å; F1290-M1301 WeakPolarHBondContact O-CB 3.29Å; F1290-M1301 PolarHBondContact O-N 3.34Å
1291Y94.4Very high88.2Confident2 Ų224.7 Ų24.71%0.00814%0.141CC..Hα-helixtrans-91.9-20.2-167.2-59.2-72.2000114.1E1266 Q1270 P1287 M1301 S1303 H1306 I1339 M1448E1266-Y1291 VanDerWaalsContact OE1-CE1 3.3Å; E1266-Y1291 WeakPolarHBondContact OE1-CE1 3.12Å; E1266-Y1291 VanDerWaalsContact OE1-CZ 3.31Å; E1266-Y1291 PolarHBondContact OE1-OH 2.8Å; Q1270-Y1291 PolarHBondContact NE2-OH 2.79Å; P1287-Y1291 HydrophobicContact CB-CD2 3.68Å; P1287-Y1291 HydrophobicContact CB-CE2 3.88Å; P1287-Y1291 WeakPolarHBondContact O-CD2 3.28Å; P1287-Y1291 PolarHBondContact O-N 2.85Å; Y1291-M1301 HydrophobicContact CD1-CB 4.18Å; Y1291-M1301 VanDerWaalsContact CD1-O 3.24Å; Y1291-M1301 WeakPolarHBondContact CD1-O 3.15Å; Y1291-M1301 HydrophobicContact CE1-CB 4.32Å; Y1291-M1301 HydrophobicContact CE1-CG 4.21Å; Y1291-S1303 VanDerWaalsContact CE1-CB 3.46Å; Y1291-H1306 AromaticContact CE2-CE1 3.59Å; Y1291-H1306 AromaticContact CZ-CE1 3.61Å; Y1291-H1306 AromaticContact CZ-ND1 3.86Å; Y1291-H1306 PolarHBondContact OH-CE1 3.42Å; Y1291-H1306 PolarHBondContact OH-ND1 3.38Å; Y1291-I1339 HydrophobicContact CD1-CG2 4.43Å; Y1291-I1339 HydrophobicContact CD2-CD1 4.41Å; Y1291-I1339 HydrophobicContact CD2-CG2 4.37Å; Y1291-I1339 HydrophobicContact CG-CG2 4.37Å; Y1291-M1448 VanDerWaalsContact CB-SD 3.55Å; Y1291-M1448 HydrophobicContact CD1-CE 4.45Å; Y1291-M1448 HydrophobicContact CG-CE 4.49Å; Y1291-M1448 HydrophobicContact CG-SD 4.32Å
1292T94.5Very high89.2Confident0 Ų024.3 Ų24.30%014%0.14CC..SBendtrans-53134.1175.3-67.50000110.6V1288 L1296 G1298 L1299 G1300 I1458 W1512V1288-T1292 VanDerWaalsContact CG2-OG1 3.25Å; V1288-T1292 WeakPolarHBondContact CG2-OG1 3.45Å; V1288-T1292 VanDerWaalsContact O-CB 3.23Å; V1288-T1292 WeakPolarHBondContact O-CB 3.44Å; V1288-T1292 PolarHBondContact O-N 3.47Å; V1288-T1292 VanDerWaalsContact O-N 3.14Å; V1288-T1292 PolarHBondContact O-OG1 3.42Å; T1292-L1296 HydrophobicContact CG2-CB 3.66Å; T1292-L1296 HydrophobicContact CG2-CD1 4.44Å; T1292-G1298 CarbonylContact O-C 3.05Å; T1292-G1298 VanDerWaalsContact O-CA 3.3Å; T1292-G1298 WeakPolarHBondContact O-CA 3.47Å; T1292-L1299 PolarHBondContact O-N 3.43Å; T1292-G1300 WeakPolarHBondContact O-CA 3.4Å; T1292-G1300 PolarHBondContact O-N 3.15Å; T1292-I1458 HydrophobicContact CG2-CD1 4.3Å; T1292-I1458 HydrophobicContact CG2-CG2 3.64Å; T1292-W1512 HydrophobicContact CG2-CH2 4.13Å; T1292-W1512 HydrophobicContact CG2-CZ2 4.08Å
1293P92.6Very high90Very high9 Ų919.7 Ų19.76%0.05811%0.109CC..  trans-55.7154.8177.1-27.236.5000113.1E1295 L1296 G1298 R1445 I1449P1293-E1295 VanDerWaalsContact CB-OE2 3.24Å; P1293-E1295 WeakPolarHBondContact CB-OE2 3.46Å; P1293-E1295 PolarHBondContact O-N 2.83Å; P1293-L1296 PolarHBondContact O-N 3.06Å; P1293-G1298 PolarHBondContact O-N 2.81Å; P1293-G1298 VanDerWaalsContact O-N 3.12Å; P1293-R1445 HydrophobicContact CB-CG 3.98Å; P1293-R1445 HydrophobicContact CG-CG 3.56Å; P1293-I1449 HydrophobicContact CG-CD1 4.08Å; P1293-I1449 HydrophobicContact CG-CG1 3.85Å
1294K89.8Confident90.6Very high135 Ų13518.6 Ų18.659%0.58710%0.1SC*.G310 helixtrans-65.5-24.4-177.661.6-178.6179.4-1750112.5L1296 G1297K1294-L1296 VanDerWaalsContact C-N 3.28Å; K1294-L1296 PolarHBondContact O-N 2.87Å; K1294-G1297 PolarHBondContact O-N 3.4Å
1295E85.8Confident90.5Very high88 Ų8818.2 Ų18.241%0.41110%0.098SC..G310 helixtrans-68.1-26.3178.5-62.975.5-164.500112.2P1293 W1477P1293-E1295 VanDerWaalsContact CB-OE2 3.24Å; P1293-E1295 WeakPolarHBondContact CB-OE2 3.46Å; P1293-E1295 PolarHBondContact O-N 2.83Å; E1295-W1477 PolarHBondContact O-NE1 2.72Å
1296L89.7Confident90.3Very high23 Ų2319.1 Ų19.112%0.1210%0.103CC..G310 helixtrans-102.218.3174.3-61.2175.9000112T1292 P1293 K1294 G1298 I1449 V1455 I1458 W1511T1292-L1296 HydrophobicContact CG2-CB 3.66Å; T1292-L1296 HydrophobicContact CG2-CD1 4.44Å; P1293-L1296 PolarHBondContact O-N 3.06Å; K1294-L1296 VanDerWaalsContact C-N 3.28Å; K1294-L1296 PolarHBondContact O-N 2.87Å; L1296-G1298 VanDerWaalsContact C-N 3.35Å; L1296-G1298 PolarHBondContact O-N 3.12Å; L1296-I1449 HydrophobicContact CD1-CD1 4.29Å; L1296-I1449 HydrophobicContact CD1-CG1 4.26Å; L1296-V1455 HydrophobicContact CD1-CG1 4.28Å; L1296-V1455 HydrophobicContact CD1-CG2 4.29Å; L1296-V1455 HydrophobicContact CD2-CG1 3.92Å; L1296-I1458 HydrophobicContact CD1-CD1 3.98Å; L1296-I1458 HydrophobicContact CD1-CG2 4.47Å; L1296-W1511 PolarHBondContact O-NE1 3.39Å
1297G85.8Confident89.9Confident10 Ų1019.2 Ų19.210%0.10310%0.103CC..THydrogen-bonded Turntrans80.17.1177.900000115.9K1294 W1512K1294-G1297 PolarHBondContact O-N 3.4Å; G1297-W1512 PolarHBondContact O-NE1 3.16Å
1298G90.2Very high89.3Confident5 Ų522.9 Ų22.95%0.05212%0.12CC..SBendtrans-77.5-171.6173.800000113.9T1292 P1293 L1296T1292-G1298 CarbonylContact O-C 3.05Å; T1292-G1298 VanDerWaalsContact O-CA 3.3Å; T1292-G1298 WeakPolarHBondContact O-CA 3.47Å; P1293-G1298 PolarHBondContact O-N 2.81Å; P1293-G1298 VanDerWaalsContact O-N 3.12Å; L1296-G1298 VanDerWaalsContact C-N 3.35Å; L1296-G1298 PolarHBondContact O-N 3.12Å
1299L92.9Very high88.5Confident3 Ų322.7 Ų22.72%0.01612%0.119CC..  trans-93.6-17175.8-61.9176.9000113.3F1230 T1231 V1234 I1273 F1290 T1292 M1301 F1508F1230-L1299 HydrophobicContact CB-CD1 4.42Å; F1230-L1299 HydrophobicContact CB-CD2 3.73Å; T1231-L1299 HydrophobicContact CG2-CD2 4.04Å; V1234-L1299 HydrophobicContact CB-CB 4.36Å; V1234-L1299 HydrophobicContact CG1-CB 4.29Å; V1234-L1299 WeakPolarHBondContact CG1-O 3.41Å; V1234-L1299 HydrophobicContact CG2-CB 3.96Å; V1234-L1299 HydrophobicContact CG2-CD1 4Å; V1234-L1299 HydrophobicContact CG2-CG 4.48Å; I1273-L1299 HydrophobicContact CD1-CD1 3.6Å; I1273-L1299 HydrophobicContact CG1-CD1 4.43Å; I1273-L1299 HydrophobicContact CG2-CD1 4.29Å; F1290-L1299 HydrophobicContact CD1-CD1 4.11Å; T1292-L1299 PolarHBondContact O-N 3.43Å; L1299-M1301 VanDerWaalsContact C-N 3.35Å; L1299-F1508 HydrophobicContact CD1-CE2 4.21Å; L1299-F1508 HydrophobicContact CD1-CZ 3.87Å; L1299-F1508 HydrophobicContact CD2-CD2 3.77Å; L1299-F1508 HydrophobicContact CD2-CE2 3.42Å; L1299-F1508 VanDerWaalsContact CD2-CE2 3.42Å; L1299-F1508 HydrophobicContact CD2-CG 4.44Å; L1299-F1508 HydrophobicContact CD2-CZ 3.83Å; L1299-F1508 HydrophobicContact CG-CD2 4.32Å; L1299-F1508 HydrophobicContact CG-CE2 3.48Å; L1299-F1508 VanDerWaalsContact CG-CE2 3.48Å; L1299-F1508 HydrophobicContact CG-CZ 3.66Å
1300G93Very high87.6Confident18 Ų1823.7 Ų23.719%0.18613%0.126CC..  trans61.739-175.900000112.9N1238 F1290 T1292N1238-G1300 PolarHBondContact ND2-O 3.38Å; F1290-G1300 PolarHBondContact O-N 3.42Å; T1292-G1300 WeakPolarHBondContact O-CA 3.4Å; T1292-G1300 PolarHBondContact O-N 3.15Å
1301M95.3Very high86.4Confident1 Ų125.8 Ų25.81%0.00514%0.135CC..PPolyproline II helixtrans-68.8137.2177.5-170.5164.6174.400110.4V1234 W1237 E1266 I1269 Q1270 F1290 Y1291 L1299V1234-M1301 VanDerWaalsContact CG1-CA 3.41Å; V1234-M1301 HydrophobicContact CG1-CB 3.64Å; V1234-M1301 HydrophobicContact CG1-CG 4.07Å; W1237-M1301 HydrophobicContact CD2-CE 4.35Å; W1237-M1301 HydrophobicContact CG-CE 4.24Å; W1237-M1301 HydrophobicContact CZ2-CE 4.46Å; E1266-M1301 HydrophobicContact CB-CE 4.35Å; E1266-M1301 HydrophobicContact CG-CE 3.65Å; I1269-M1301 HydrophobicContact CB-CE 4.21Å; I1269-M1301 HydrophobicContact CG2-CE 3.97Å; I1269-M1301 HydrophobicContact CG2-SD 4.34Å; Q1270-M1301 HydrophobicContact CG-CE 4.29Å; Q1270-M1301 HydrophobicContact CG-SD 4.15Å; F1290-M1301 HydrophobicContact CB-CB 4.38Å; F1290-M1301 HydrophobicContact CB-SD 4.36Å; F1290-M1301 WeakPolarHBondContact O-CB 3.29Å; F1290-M1301 PolarHBondContact O-N 3.34Å; Y1291-M1301 HydrophobicContact CD1-CB 4.18Å; Y1291-M1301 VanDerWaalsContact CD1-O 3.24Å; Y1291-M1301 WeakPolarHBondContact CD1-O 3.15Å; Y1291-M1301 HydrophobicContact CE1-CB 4.32Å; Y1291-M1301 HydrophobicContact CE1-CG 4.21Å; L1299-M1301 VanDerWaalsContact C-N 3.35Å
1302L94.8Very high85Confident19 Ų1926.9 Ų26.910%0.09914%0.143CC..PPolyproline II helixtrans-90.5136.1171.7-59179.7000109.9W1237 N1238 L1241 I1242 L1342 L1441 Y1444W1237-L1302 PolarHBondContact NE1-O 3Å; N1238-L1302 HydrophobicContact CB-CD1 4.06Å; N1238-L1302 HydrophobicContact CB-CG 4.26Å; N1238-L1302 PolarHBondContact OD1-N 3.37Å; L1241-L1302 HydrophobicContact CD2-CB 3.98Å; I1242-L1302 HydrophobicContact CD1-CD1 3.6Å; I1242-L1302 HydrophobicContact CG1-CD1 3.58Å; L1302-L1342 HydrophobicContact CD1-CD1 4.19Å; L1302-L1342 HydrophobicContact CD1-CD2 4.41Å; L1302-L1441 HydrophobicContact CD1-CD1 4.26Å; L1302-Y1444 WeakPolarHBondContact CA-OH 3.39Å; L1302-Y1444 HydrophobicContact CD2-CD1 3.61Å; L1302-Y1444 HydrophobicContact CD2-CE1 3.25Å
1303S92.2Very high83.5Confident0 Ų030 Ų300%016%0.16CC..PPolyproline II helixtrans-100135.1-175.8-173.80000111.3Y1291 H1306 L1342 Y1444Y1291-S1303 VanDerWaalsContact CE1-CB 3.46Å; S1303-H1306 PolarHBondContact OG-ND1 2.98Å; S1303-H1306 VanDerWaalsContact OG-ND1 3.11Å; S1303-L1342 PolarHBondContact O-N 2.82Å; S1303-L1342 VanDerWaalsContact O-N 3.1Å; S1303-Y1444 PolarHBondContact N-OH 3.29Å
1304M90.1Very high82.3Confident4 Ų435 Ų352%0.0219%0.186CC..SBendtrans-139.84.4162.5-16660.5-168.100111.3L1241 M1245 L1259 L1262 E1266 N1341 F1343L1241-M1304 HydrophobicContact CD1-CB 4.07Å; L1241-M1304 HydrophobicContact CD2-CB 4.25Å; M1245-M1304 HydrophobicContact CE-CE 3.62Å; M1245-M1304 HydrophobicContact CE-SD 4.02Å; M1245-M1304 HydrophobicContact SD-CE 4.31Å; M1245-M1304 HydrophobicContact SD-CG 4.2Å; M1245-M1304 HydrophobicContact SD-SD 4.46Å; L1259-M1304 HydrophobicContact CD2-CE 4.15Å; L1262-M1304 HydrophobicContact CD1-CG 3.78Å; E1266-M1304 PolarHBondContact OE2-N 2.87Å; M1304-N1341 HydrophobicContact SD-CB 4.44Å; M1304-F1343 HydrophobicContact CE-CB 3.73Å; M1304-F1343 HydrophobicContact SD-CB 3.99Å
1305G83.5Confident81.2Confident0 Ų033.9 Ų33.90%018%0.178CC..SBendtrans-96.9-14.6-179.500000114.7V1263 E1266 V1307 M1331V1263-G1305 WeakPolarHBondContact CG2-O 3.35Å; E1266-G1305 VanDerWaalsContact OE2-CA 3.28Å; E1266-G1305 WeakPolarHBondContact OE2-CA 3.25Å; E1266-G1305 PolarHBondContact OE2-N 2.86Å; G1305-V1307 PolarHBondContact O-N 3.5Å; G1305-M1331 PolarHBondContact O-N 3.25Å
1306H81.5Confident80.5Confident29 Ų2931.8 Ų31.813%0.13417%0.166CC..SBendtrans-82.945.7171.4-66.587.8000111Y1291 S1303 I1339 N1341Y1291-H1306 AromaticContact CE2-CE1 3.59Å; Y1291-H1306 AromaticContact CZ-CE1 3.61Å; Y1291-H1306 AromaticContact CZ-ND1 3.86Å; Y1291-H1306 PolarHBondContact OH-CE1 3.42Å; Y1291-H1306 PolarHBondContact OH-ND1 3.38Å; S1303-H1306 PolarHBondContact OG-ND1 2.98Å; S1303-H1306 VanDerWaalsContact OG-ND1 3.11Å; H1306-I1339 HydrophobicContact CB-CB 3.94Å; H1306-N1341 PolarHBondContact O-ND2 3.29Å; H1306-N1341 PolarHBondContact O-OD1 2.94Å
1307V77.7Confident79.7Confident28 Ų2832.3 Ų32.317%0.1717%0.172CC..SBendtrans-106.3143.417666.80000109.4G1305 I1309 G1330G1305-V1307 PolarHBondContact O-N 3.5Å; V1307-I1309 HydrophobicContact CG1-CG1 4.24Å; V1307-I1309 PolarHBondContact O-N 2.79Å; V1307-G1330 WeakPolarHBondContact O-CA 3.37Å; V1307-G1330 PolarHBondContact O-N 3.48Å; V1307-G1330 VanDerWaalsContact O-N 3.09Å
1308L75.3Confident78.9Confident100 Ų10036.1 Ų36.152%0.52419%0.185SC..EExtended strand (participates in β ladder)trans-75107.1165-69.7-178.1000107.4P1310 F1327L1308-P1310 WeakPolarHBondContact O-CD 3.3Å; L1308-F1327 HydrophobicContact CB-CB 3.94Å; L1308-F1327 HydrophobicContact CB-CD1 3.54Å; L1308-F1327 HydrophobicContact CB-CE1 4.25Å; L1308-F1327 HydrophobicContact CB-CG 3.88Å; L1308-F1327 HydrophobicContact CD1-CB 4.34Å; L1308-F1327 HydrophobicContact CD1-CG 4.28Å; L1308-F1327 HydrophobicContact CD2-CB 4.4Å; L1308-F1327 HydrophobicContact CG-CB 4.46Å
1309I74.2Confident78Confident1 Ų136.6 Ų36.61%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-72.1123-179.5-63.7158.3000107.8V1256 L1259 D1260 V1263 V1307 Q1311 F1327 R1328V1256-I1309 HydrophobicContact CG1-CG2 3.92Å; L1259-I1309 HydrophobicContact CB-CG1 4.45Å; D1260-I1309 VanDerWaalsContact OD1-CD1 3.25Å; D1260-I1309 WeakPolarHBondContact OD1-CD1 3.37Å; V1263-I1309 HydrophobicContact CG2-CD1 4.1Å; V1307-I1309 HydrophobicContact CG1-CG1 4.24Å; V1307-I1309 PolarHBondContact O-N 2.79Å; I1309-Q1311 PolarHBondContact O-N 3.35Å; I1309-Q1311 VanDerWaalsContact O-N 3.15Å; I1309-F1327 WeakPolarHBondContact O-CA 3.3Å; I1309-R1328 HydrophobicContact CB-CB 4.4Å; I1309-R1328 PolarHBondContact N-O 3.35Å; I1309-R1328 PolarHBondContact O-N 2.87Å
1310P72.1Confident77.1Confident21 Ų2137.7 Ų37.714%0.13619%0.193CC..EExtended strand (participates in β ladder)trans-59.4119.1172.2-21.733.8000109.5L1308 I1324 F1327L1308-P1310 WeakPolarHBondContact O-CD 3.3Å; P1310-I1324 HydrophobicContact CB-CB 4.4Å; P1310-I1324 HydrophobicContact CB-CD1 3.87Å; P1310-I1324 HydrophobicContact CB-CG1 3.84Å; P1310-I1324 HydrophobicContact CB-CG2 3.83Å; P1310-I1324 HydrophobicContact CG-CD1 3.89Å; P1310-I1324 HydrophobicContact CG-CG1 4.42Å; P1310-F1327 HydrophobicContact CG-CE1 4.31Å
1311Q68.7Low76.1Confident45 Ų4540.8 Ų40.821%0.2121%0.206CC..EExtended strand (participates in β ladder)trans-120.599.2176.8-168.772.456.100107.6I1309 T1325 H1326 R1328I1309-Q1311 PolarHBondContact O-N 3.35Å; I1309-Q1311 VanDerWaalsContact O-N 3.15Å; Q1311-T1325 PolarHBondContact O-OG1 2.79Å; Q1311-H1326 CarbonylContact C-O 3.57Å; Q1311-H1326 PolarHBondContact N-O 3.06Å; Q1311-H1326 WeakPolarHBondContact O-CB 3.49Å; Q1311-H1326 PolarHBondContact O-N 3.03Å; Q1311-H1326 VanDerWaalsContact O-N 3.15Å; Q1311-H1326 VanDerWaalsContact O-O 3.12Å; Q1311-R1328 HydrophobicContact CB-CB 4.32Å
1312S65.6Low74.8Confident25 Ų2544 Ų4418%0.17523%0.225CC..  trans-83166.4165.845.10000110.7L1314 S1317 G1323S1312-L1314 PolarHBondContact O-N 2.83Å; S1312-S1317 WeakPolarHBondContact OG-CB 3.43Å; S1312-G1323 WeakPolarHBondContact CB-O 3.35Å
1313D63.1Low73.7Confident67 Ų6745.2 Ų45.236%0.35824%0.242SC..  trans-57110.5169.9-170.2-17.2000108.8R1315 W1316 S1317D1313-R1315 PolarHBondContact O-N 3.4Å; D1313-R1315 PolarHBondContact OD1-N 3.26Å; D1313-R1315 VanDerWaalsContact OD1-N 3.16Å; D1313-W1316 PolarHBondContact O-N 3.38Å; D1313-W1316 VanDerWaalsContact O-N 3.07Å; D1313-S1317 WeakPolarHBondContact O-CB 3.11Å; D1313-S1317 PolarHBondContact O-N 3.04Å; D1313-S1317 PolarHBondContact O-OG 3.09Å
1314L67.2Low72.7Confident112 Ų11250 Ų5059%0.58627%0.266SS*.THydrogen-bonded Turntrans-56.3-25-176.4-84.5150.6000112.9S1312 S1317 K1318S1312-L1314 PolarHBondContact O-N 2.83Å; L1314-S1317 WeakPolarHBondContact CA-OG 3.24Å; L1314-K1318 WeakPolarHBondContact O-CG 3.36Å
1315R67.2Low72Confident113 Ų11353.1 Ų53.143%0.42629%0.286SS..THydrogen-bonded Turntrans-69.8-49.3177.1-175.5179.1-178.5164.77110.6D1313D1313-R1315 PolarHBondContact O-N 3.4Å; D1313-R1315 PolarHBondContact OD1-N 3.26Å; D1313-R1315 VanDerWaalsContact OD1-N 3.16Å
1316W71.2Confident71.5Confident44 Ų4459.4 Ų59.417%0.16732%0.315CS..THydrogen-bonded Turntrans-82.3-32.5-176.3-55.7131.9000112.7I271 I274 I276 D1313 K1318 Q1319 T1320 V1322I271-W1316 HydrophobicContact CD1-CE3 3.97Å; I271-W1316 HydrophobicContact CD1-CZ3 4.12Å; I274-W1316 HydrophobicContact CD1-CH2 3.92Å; I274-W1316 HydrophobicContact CD1-CZ3 3.9Å; I274-W1316 HydrophobicContact CG2-CH2 4.03Å; I276-W1316 HydrophobicContact CD1-CD2 4.3Å; I276-W1316 HydrophobicContact CD1-CH2 4.41Å; I276-W1316 HydrophobicContact CD1-CZ2 3.96Å; I276-W1316 HydrophobicContact CG1-CZ2 4.39Å; D1313-W1316 PolarHBondContact O-N 3.38Å; D1313-W1316 VanDerWaalsContact O-N 3.07Å; W1316-K1318 PolarHBondContact O-N 3.42Å; W1316-K1318 VanDerWaalsContact O-N 3.17Å; W1316-Q1319 VanDerWaalsContact CE3-OE1 3.29Å; W1316-Q1319 VanDerWaalsContact CZ3-OE1 3.28Å; W1316-Q1319 CarbonylContact O-C 3.44Å; W1316-Q1319 WeakPolarHBondContact O-CA 3.18Å; W1316-Q1319 WeakPolarHBondContact O-CB 3.41Å; W1316-Q1319 PolarHBondContact O-N 3.15Å; W1316-T1320 PolarHBondContact O-N 3.23Å; W1316-V1322 HydrophobicContact CB-CG2 3.6Å
1317S71.6Confident71.2Confident33 Ų3363.9 Ų63.923%0.23133%0.334CS..THydrogen-bonded Turntrans-66.4-18178.267.90000114.6S1312 D1313 L1314 T1320S1312-S1317 WeakPolarHBondContact OG-CB 3.43Å; D1313-S1317 WeakPolarHBondContact O-CB 3.11Å; D1313-S1317 PolarHBondContact O-N 3.04Å; D1313-S1317 PolarHBondContact O-OG 3.09Å; L1314-S1317 WeakPolarHBondContact CA-OG 3.24Å; S1317-T1320 WeakPolarHBondContact CA-O 3.41Å
1318K70Confident71Confident91 Ų9167.5 Ų67.540%0.39635%0.345SS..THydrogen-bonded Turntrans-76.3-25.7167.8-74.6-174.8177.2-167.50112.4E261 P1107 R1108 L1314 W1316E261-K1318 PolarHBondContact O-NZ 2.94Å; P1107-K1318 WeakPolarHBondContact CA-O 3.5Å; R1108-K1318 WeakPolarHBondContact CG-O 3.21Å; R1108-K1318 PolarHBondContact N-O 2.87Å; L1314-K1318 WeakPolarHBondContact O-CG 3.36Å; W1316-K1318 PolarHBondContact O-N 3.42Å; W1316-K1318 VanDerWaalsContact O-N 3.17Å
1319Q70.7Confident70.8Confident14 Ų1466.1 Ų66.17%0.06534%0.344CS..THydrogen-bonded Turntrans-94.2-50.8-176.5-63.8-175.71.700111.7N269 R1108 D1109 W1316N269-Q1319 PolarHBondContact O-NE2 3.11Å; N269-Q1319 PolarHBondContact O-OE1 3.39Å; R1108-Q1319 PolarHBondContact N-O 3.17Å; D1109-Q1319 WeakPolarHBondContact CB-O 3.45Å; D1109-Q1319 PolarHBondContact N-O 3.04Å; D1109-Q1319 VanDerWaalsContact OD1-O 3.08Å; W1316-Q1319 VanDerWaalsContact CE3-OE1 3.29Å; W1316-Q1319 VanDerWaalsContact CZ3-OE1 3.28Å; W1316-Q1319 CarbonylContact O-C 3.44Å; W1316-Q1319 WeakPolarHBondContact O-CA 3.18Å; W1316-Q1319 WeakPolarHBondContact O-CB 3.41Å; W1316-Q1319 PolarHBondContact O-N 3.15Å
1320T74.5Confident70.6Confident26 Ų2666.9 Ų66.916%0.1635%0.352CS..SBendtrans-133.8156.2-176.660.70000111.9I271 D1109 W1316 S1317 V1322I271-T1320 HydrophobicContact CB-CG2 4.09Å; I271-T1320 HydrophobicContact CG1-CG2 4.01Å; I271-T1320 HydrophobicContact CG2-CG2 3.72Å; D1109-T1320 HydrophobicContact CB-CG2 4.31Å; D1109-T1320 VanDerWaalsContact OD2-CA 3.29Å; D1109-T1320 WeakPolarHBondContact OD2-CA 3.5Å; D1109-T1320 WeakPolarHBondContact OD2-CB 3.46Å; D1109-T1320 WeakPolarHBondContact OD2-CG2 3.48Å; W1316-T1320 PolarHBondContact O-N 3.23Å; S1317-T1320 WeakPolarHBondContact CA-O 3.41Å; T1320-V1322 PolarHBondContact O-N 3.5Å; T1320-V1322 VanDerWaalsContact OG1-CG2 3.25Å; T1320-V1322 WeakPolarHBondContact OG1-CG2 3.21Å
1321D72.3Confident70.7Confident84 Ų8467.3 Ų67.345%0.44935%0.352SS..  trans-76.272.7169.1-85.1-32.2000110.2P1107 R1167 G1323P1107-D1321 WeakPolarHBondContact CG-OD1 3.48Å; R1167-D1321 IonicContact CZ-OD2 3.89Å; R1167-D1321 IonicContact NH1-OD2 3.65Å; R1167-D1321 PolarHBondContact NH1-OD2 2.84Å; R1167-D1321 IonicContact NH2-OD2 3.89Å; R1167-D1321 PolarHBondContact NH2-OD2 3.22Å; D1321-G1323 PolarHBondContact O-N 3.02Å
1322V68.1Low70.5Confident69 Ų6970.4 Ų70.442%0.41838%0.379SS..  trans-58.6-14.5179.1-177.70000113.4W1316 T1320 T1325W1316-V1322 HydrophobicContact CB-CG2 3.6Å; T1320-V1322 PolarHBondContact O-N 3.5Å; T1320-V1322 VanDerWaalsContact OG1-CG2 3.25Å; T1320-V1322 WeakPolarHBondContact OG1-CG2 3.21Å; V1322-T1325 HydrophobicContact CG1-CG2 4.17Å
1323G71.5Confident70.5Confident43 Ų4372.4 Ų72.444%0.44339%0.385SS..  trans81.7-161.6-171.600000112.6S1312 D1321S1312-G1323 WeakPolarHBondContact CB-O 3.35Å; D1321-G1323 PolarHBondContact O-N 3.02Å
1324I71.3Confident70.3Confident101 Ų10177.1 Ų77.152%0.51841%0.411SS..  trans-99.3109.4-173.9-50.5179.7000109.6P1310 F1327P1310-I1324 HydrophobicContact CB-CB 4.4Å; P1310-I1324 HydrophobicContact CB-CD1 3.87Å; P1310-I1324 HydrophobicContact CB-CG1 3.84Å; P1310-I1324 HydrophobicContact CB-CG2 3.83Å; P1310-I1324 HydrophobicContact CG-CD1 3.89Å; P1310-I1324 HydrophobicContact CG-CG1 4.42Å; I1324-F1327 HydrophobicContact CG2-CD1 4.29Å; I1324-F1327 HydrophobicContact CG2-CE1 3.77Å; I1324-F1327 HydrophobicContact CG2-CE2 4.1Å; I1324-F1327 HydrophobicContact CG2-CZ 3.66Å
1325T73.9Confident70.1Confident70 Ų7078.9 Ų78.943%0.42942%0.416SS..  trans-97.8-35.317860.70000113.3Q1311 V1322Q1311-T1325 PolarHBondContact O-OG1 2.79Å; V1322-T1325 HydrophobicContact CG1-CG2 4.17Å
1326H74.5Confident70Confident132 Ų13281.4 Ų81.461%0.61144%0.437SS*.EExtended strand (participates in β ladder)trans-137163.1177.4-56.9-67000111.5Q1311Q1311-H1326 CarbonylContact C-O 3.57Å; Q1311-H1326 PolarHBondContact N-O 3.06Å; Q1311-H1326 WeakPolarHBondContact O-CB 3.49Å; Q1311-H1326 PolarHBondContact O-N 3.03Å; Q1311-H1326 VanDerWaalsContact O-N 3.15Å; Q1311-H1326 VanDerWaalsContact O-O 3.12Å
1327F73.7Confident69.8Low122 Ų12281.5 Ų81.554%0.53544%0.44SS..EExtended strand (participates in β ladder)trans-115.8139.2170.9-72.9-73.1000111.1L1308 I1309 P1310 I1324L1308-F1327 HydrophobicContact CB-CB 3.94Å; L1308-F1327 HydrophobicContact CB-CD1 3.54Å; L1308-F1327 HydrophobicContact CB-CE1 4.25Å; L1308-F1327 HydrophobicContact CB-CG 3.88Å; L1308-F1327 HydrophobicContact CD1-CB 4.34Å; L1308-F1327 HydrophobicContact CD1-CG 4.28Å; L1308-F1327 HydrophobicContact CD2-CB 4.4Å; L1308-F1327 HydrophobicContact CG-CB 4.46Å; I1309-F1327 WeakPolarHBondContact O-CA 3.3Å; P1310-F1327 HydrophobicContact CG-CE1 4.31Å; I1324-F1327 HydrophobicContact CG2-CD1 4.29Å; I1324-F1327 HydrophobicContact CG2-CE1 3.77Å; I1324-F1327 HydrophobicContact CG2-CE2 4.1Å; I1324-F1327 HydrophobicContact CG2-CZ 3.66Å
1328R74.2Confident70.1Confident104 Ų10485.5 Ų85.539%0.39246%0.463SS..EExtended strand (participates in β ladder)trans-106.6126.5169.7-174179.478.1-169.58.6109.1D1260 I1309 Q1311 G1330D1260-R1328 IonicContact OD1-CZ 2.72Å; D1260-R1328 IonicContact OD1-NH2 3.46Å; D1260-R1328 PolarHBondContact OD1-NH2 3.08Å; D1260-R1328 IonicContact OD2-CZ 3.06Å; D1260-R1328 IonicContact OD2-NH2 3.08Å; D1260-R1328 PolarHBondContact OD2-NH2 2.75Å; I1309-R1328 HydrophobicContact CB-CB 4.4Å; I1309-R1328 PolarHBondContact N-O 3.35Å; I1309-R1328 PolarHBondContact O-N 2.87Å; Q1311-R1328 HydrophobicContact CB-CB 4.32Å; R1328-G1330 PolarHBondContact O-N 3.26Å
1329S71Confident70.8Confident72 Ų7281.2 Ų81.250%0.50344%0.444SS..EExtended strand (participates in β ladder)trans-58.7121.3172.5178.20000110.3M1331S1329-M1331 PolarHBondContact OG-O 2.79Å
1330G70.1Confident71.6Confident17 Ų1781.5 Ų81.518%0.17545%0.447CS..SBendtrans-67.4-52.4175.300000112.1V1263 V1307 R1328V1263-G1330 WeakPolarHBondContact CG1-O 3.25Å; V1307-G1330 WeakPolarHBondContact O-CA 3.37Å; V1307-G1330 PolarHBondContact O-N 3.48Å; V1307-G1330 VanDerWaalsContact O-N 3.09Å; R1328-G1330 PolarHBondContact O-N 3.26Å
1331M75Confident72.2Confident29 Ų2981.9 Ų81.914%0.14345%0.448CS..SBendtrans-134.9133.9176.1-66.6-172.358.100110.6V1263 E1266 G1305 S1329V1263-M1331 HydrophobicContact CG1-CG 4.11Å; E1266-M1331 HydrophobicContact CG-SD 3.92Å; G1305-M1331 PolarHBondContact O-N 3.25Å; S1329-M1331 PolarHBondContact OG-O 2.79Å
1332S63Low73.1Confident110 Ų11077.9 Ų77.977%0.76943%0.427SS*.  trans-95.6138.6-177.161.50000112.5
1333H67Low74.1Confident68 Ų6876.7 Ų76.732%0.31542%0.416SS..  trans-127.6161.4170.449.1-66.8000109.2E1335 Q1337H1333-E1335 PolarHBondContact CD2-O 3.42Å; H1333-E1335 PolarHBondContact NE2-O 3.49Å; H1333-Q1337 PolarHBondContact CD2-N 2.9Å; H1333-Q1337 PolarHBondContact CD2-O 3.37Å; H1333-Q1337 VanDerWaalsContact CD2-O 3.29Å; H1333-Q1337 PolarHBondContact NE2-N 3.39Å; H1333-Q1337 PolarHBondContact NE2-O 3.04Å
1334D58.1Low74.8Confident166 Ų16679.2 Ų79.289%0.88843%0.427SS*.SBendtrans-83-11.5-169.5-72.9-26.1000113.3
1335E62.6Low75.7Confident148 Ų14876.8 Ų76.869%0.69241%0.411SS*.SBendtrans-128.2170-177.2-68.7171.8-173.600110H1333 Q1337H1333-E1335 PolarHBondContact CD2-O 3.42Å; H1333-E1335 PolarHBondContact NE2-O 3.49Å; E1335-Q1337 PolarHBondContact O-N 2.98Å
1336D65.6Low76.5Confident166 Ų16674 Ų7489%0.88839%0.394SS*.  trans-80.530.7-178.5-65.6-39.1000113.7V1338D1336-V1338 PolarHBondContact O-N 2.87Å; D1336-V1338 VanDerWaalsContact O-N 3.11Å
1337Q67.3Low77.2Confident47 Ų4772.6 Ų72.622%0.2239%0.39CS..  trans-74.397.9-175-174.8174.749.200112.7H1333 E1335 I1339 A1451 L1452H1333-Q1337 PolarHBondContact CD2-N 2.9Å; H1333-Q1337 PolarHBondContact CD2-O 3.37Å; H1333-Q1337 VanDerWaalsContact CD2-O 3.29Å; H1333-Q1337 PolarHBondContact NE2-N 3.39Å; H1333-Q1337 PolarHBondContact NE2-O 3.04Å; E1335-Q1337 PolarHBondContact O-N 2.98Å; Q1337-I1339 HydrophobicContact CG-CD1 4.39Å; Q1337-I1339 PolarHBondContact O-N 2.79Å; Q1337-I1339 VanDerWaalsContact O-N 3.16Å; Q1337-A1451 VanDerWaalsContact CG-O 3.27Å; Q1337-A1451 WeakPolarHBondContact CG-O 3.04Å; Q1337-A1451 PolarHBondContact NE2-O 3.46Å; Q1337-L1452 VanDerWaalsContact NE2-CA 3.33Å
1338V76.7Confident78Confident117 Ų11767.9 Ų67.971%0.70937%0.372SS*.  trans-71.3110.7177.7-172.30000110.7D1336 P1340 A1451D1336-V1338 PolarHBondContact O-N 2.87Å; D1336-V1338 VanDerWaalsContact O-N 3.11Å; V1338-P1340 WeakPolarHBondContact O-CD 3.11Å; V1338-A1451 WeakPolarHBondContact O-CB 3.4Å
1339I85.5Confident79Confident1 Ų162.9 Ų62.91%0.00535%0.354CS..PPolyproline II helixtrans-78.3123.6171.6-59.3-60.9000108.9P1287 Y1291 H1306 Q1337 N1341 M1448 L1452P1287-I1339 HydrophobicContact CB-CD1 3.93Å; P1287-I1339 HydrophobicContact CB-CG1 4.37Å; P1287-I1339 HydrophobicContact CG-CD1 4.34Å; Y1291-I1339 HydrophobicContact CD1-CG2 4.43Å; Y1291-I1339 HydrophobicContact CD2-CD1 4.41Å; Y1291-I1339 HydrophobicContact CD2-CG2 4.37Å; Y1291-I1339 HydrophobicContact CG-CG2 4.37Å; H1306-I1339 HydrophobicContact CB-CB 3.94Å; Q1337-I1339 HydrophobicContact CG-CD1 4.39Å; Q1337-I1339 PolarHBondContact O-N 2.79Å; Q1337-I1339 VanDerWaalsContact O-N 3.16Å; I1339-N1341 PolarHBondContact O-N 2.88Å; I1339-M1448 HydrophobicContact CD1-SD 4.5Å; I1339-M1448 HydrophobicContact CG2-CE 3.72Å; I1339-M1448 HydrophobicContact CG2-SD 4.14Å; I1339-L1452 HydrophobicContact CD1-CD2 3.94Å
1340P88.1Confident79.9Confident19 Ų1960.3 Ų60.312%0.12333%0.334CS..PPolyproline II helixtrans-57.3137.5179.1-2532.7000112.5V1338 Y1345 Y1444 D1447 M1448 A1451V1338-P1340 WeakPolarHBondContact O-CD 3.11Å; P1340-Y1345 HydrophobicContact CB-CE2 3.8Å; P1340-Y1444 HydrophobicContact CB-CD2 4.43Å; P1340-Y1444 HydrophobicContact CB-CE2 4.29Å; P1340-Y1444 WeakPolarHBondContact O-CE2 3.42Å; P1340-D1447 HydrophobicContact CG-CB 4.29Å; P1340-M1448 HydrophobicContact CB-CE 4.45Å; P1340-M1448 HydrophobicContact CG-CE 4.31Å; P1340-A1451 HydrophobicContact CG-CB 3.96Å
1341N86.6Confident80.8Confident34 Ų3463 Ų6318%0.18235%0.347CS..PPolyproline II helixtrans-94.4139.5179.7-73.8-39.6000110.8M1304 H1306 I1339 F1343 S1344 Y1345M1304-N1341 HydrophobicContact SD-CB 4.44Å; H1306-N1341 PolarHBondContact O-ND2 3.29Å; H1306-N1341 PolarHBondContact O-OD1 2.94Å; I1339-N1341 PolarHBondContact O-N 2.88Å; N1341-F1343 PolarHBondContact O-N 2.95Å; N1341-S1344 PolarHBondContact O-N 3.18Å; N1341-Y1345 VanDerWaalsContact O-CD2 3.24Å; N1341-Y1345 WeakPolarHBondContact O-CD2 3.3Å
1342L90.5Very high81.6Confident0 Ų061.7 Ų61.70%034%0.34CS..G310 helixtrans-59.5-32.4-177.7-171.465.1000113.4L1241 I1242 M1245 L1302 S1303 S1344 Y1345 I1346 L1441 Y1444L1241-L1342 HydrophobicContact CD2-CD2 4.01Å; L1241-L1342 HydrophobicContact CG-CD2 3.92Å; I1242-L1342 HydrophobicContact CG1-CD2 4.37Å; M1245-L1342 HydrophobicContact CB-CD2 4.1Å; M1245-L1342 HydrophobicContact CG-CD2 4.05Å; L1302-L1342 HydrophobicContact CD1-CD1 4.19Å; L1302-L1342 HydrophobicContact CD1-CD2 4.41Å; S1303-L1342 PolarHBondContact O-N 2.82Å; S1303-L1342 VanDerWaalsContact O-N 3.1Å; L1342-S1344 VanDerWaalsContact C-N 3.31Å; L1342-S1344 PolarHBondContact O-N 3.01Å; L1342-Y1345 PolarHBondContact O-N 3.44Å; L1342-I1346 HydrophobicContact CD2-CD1 4.37Å; L1342-I1346 HydrophobicContact CG-CD1 3.96Å; L1342-L1441 HydrophobicContact CD1-CD1 3.91Å; L1342-L1441 HydrophobicContact CD1-CD2 3.57Å; L1342-L1441 HydrophobicContact CD1-CG 4.37Å; L1342-Y1444 HydrophobicContact CD1-CD2 4.39Å
1343F89.4Confident83Confident44 Ų4456.9 Ų56.919%0.19331%0.306CS..G310 helixtrans-58.2-39.5-179.5176.8-105.2000113M1245 R1249 V1253 M1304 N1341 Y1345 I1346M1245-F1343 HydrophobicContact CE-CB 4.04Å; M1245-F1343 HydrophobicContact CE-CD2 4.07Å; R1249-F1343 WeakPolarHBondContact O-CE2 3.49Å; V1253-F1343 HydrophobicContact CG2-CD1 3.85Å; V1253-F1343 HydrophobicContact CG2-CD2 3.8Å; V1253-F1343 HydrophobicContact CG2-CE1 3.63Å; V1253-F1343 HydrophobicContact CG2-CE2 3.58Å; V1253-F1343 HydrophobicContact CG2-CG 3.94Å; V1253-F1343 HydrophobicContact CG2-CZ 3.49Å; V1253-F1343 VanDerWaalsContact CG2-CZ 3.49Å; M1304-F1343 HydrophobicContact CE-CB 3.73Å; M1304-F1343 HydrophobicContact SD-CB 3.99Å; N1341-F1343 PolarHBondContact O-N 2.95Å; F1343-Y1345 PolarHBondContact O-N 3Å; F1343-Y1345 VanDerWaalsContact O-N 3.11Å; F1343-I1346 PolarHBondContact O-N 3.33Å; F1343-I1346 VanDerWaalsContact O-N 3.14Å; F1343-I1346 VanDerWaalsContact O-O 3.14Å
1344S86.6Confident84.1Confident96 Ų9657.6 Ų57.667%0.67131%0.305SS*.G310 helixtrans-66.2-14.4-178.7-560000114.2N1341 L1342N1341-S1344 PolarHBondContact O-N 3.18Å; L1342-S1344 VanDerWaalsContact C-N 3.31Å; L1342-S1344 PolarHBondContact O-N 3.01Å
1345Y90.9Very high85.5Confident50 Ų5051.2 Ų51.220%0.19627%0.272CS..G310 helixtrans-105.86.1-179.7-60.4-89.3000112.9P1340 N1341 L1342 F1343 N1443 Y1444 D1447P1340-Y1345 HydrophobicContact CB-CE2 3.8Å; N1341-Y1345 VanDerWaalsContact O-CD2 3.24Å; N1341-Y1345 WeakPolarHBondContact O-CD2 3.3Å; L1342-Y1345 PolarHBondContact O-N 3.44Å; F1343-Y1345 PolarHBondContact O-N 3Å; F1343-Y1345 VanDerWaalsContact O-N 3.11Å; Y1345-N1443 HydrophobicContact CD1-CB 3.92Å; Y1345-N1443 HydrophobicContact CE1-CB 3.92Å; Y1345-Y1444 AromaticContact CD2-CD2 3.56Å; Y1345-Y1444 HydrophobicContact CD2-CD2 3.56Å; Y1345-Y1444 HydrophobicContact CD2-CG 4.28Å; Y1345-Y1444 AromaticContact CE2-CD2 3.62Å; Y1345-Y1444 HydrophobicContact CE2-CD2 3.62Å; Y1345-Y1444 HydrophobicContact CE2-CE2 4.48Å; Y1345-Y1444 HydrophobicContact CE2-CG 4.37Å; Y1345-Y1444 HydrophobicContact CG-CD2 4.26Å; Y1345-D1447 WeakPolarHBondContact CE1-OD2 3.5Å; Y1345-D1447 VanDerWaalsContact CZ-OD2 3.28Å; Y1345-D1447 WeakPolarHBondContact OH-CB 3.42Å; Y1345-D1447 VanDerWaalsContact OH-CG 3.3Å; Y1345-D1447 PolarHBondContact OH-OD2 3.45Å
1346I90.6Very high86.9Confident12 Ų1244.9 Ų44.96%0.06224%0.243CC..SBendtrans-119.7116.4177.3-60.6170.7000106.7M1245 T1246 R1249 L1342 F1343 L1441M1245-I1346 HydrophobicContact CB-CD1 3.78Å; T1246-I1346 HydrophobicContact CG2-CD1 3.83Å; T1246-I1346 HydrophobicContact CG2-CG1 4.46Å; R1249-I1346 HydrophobicContact CG-CG2 3.9Å; L1342-I1346 HydrophobicContact CD2-CD1 4.37Å; L1342-I1346 HydrophobicContact CG-CD1 3.96Å; F1343-I1346 PolarHBondContact O-N 3.33Å; F1343-I1346 VanDerWaalsContact O-N 3.14Å; F1343-I1346 VanDerWaalsContact O-O 3.14Å; I1346-L1441 HydrophobicContact CG1-CD2 4.33Å
1347L89.4Confident88Confident102 Ų10243.2 Ų43.253%0.53423%0.23SC..  trans-57.2144.7174.9-68.8164.2000110.2R1249 T1351R1249-L1347 WeakPolarHBondContact CD-O 3.38Å; R1249-L1347 PolarHBondContact NH1-O 3.29Å; L1347-T1351 HydrophobicContact CD2-CG2 4.46Å
1348S90.5Very high89Confident23 Ų2344.3 Ų44.316%0.16124%0.243CC..  trans-66.9162.1173.870.20000111.4E1250 T1351 E1352E1250-S1348 WeakPolarHBondContact OE2-CB 3.27Å; S1348-T1351 WeakPolarHBondContact OG-CB 3.36Å; S1348-T1351 PolarHBondContact OG-N 2.87Å; S1348-T1351 PolarHBondContact OG-OG1 2.83Å; S1348-E1352 WeakPolarHBondContact O-CB 3.14Å; S1348-E1352 PolarHBondContact O-N 3.19Å; S1348-E1352 VanDerWaalsContact O-N 3.11Å
1349W93.7Very high89.7Confident0 Ų039 Ų390%021%0.211CC..Hα-helixtrans-69.6-37.9178-76.3121.2000111.4P921 W1188 T1246 Y1247 R1249 E1250 T1351 E1352 F1353 I1390 W1429 L1438P921-W1349 HydrophobicContact CB-CD2 3.88Å; P921-W1349 HydrophobicContact CB-CG 4.11Å; P921-W1349 HydrophobicContact CB-CZ2 3.98Å; P921-W1349 HydrophobicContact CG-CD2 4.44Å; P921-W1349 HydrophobicContact CG-CH2 4.36Å; P921-W1349 HydrophobicContact CG-CZ2 3.61Å; W1188-W1349 HydrophobicContact CZ2-CB 4.25Å; T1246-W1349 WeakPolarHBondContact O-CZ2 3.46Å; Y1247-W1349 PolarHBondContact O-NE1 2.96Å; R1249-W1349 HydrophobicContact CG-CG 4.42Å; E1250-W1349 WeakPolarHBondContact OE1-CB 3.37Å; E1250-W1349 PolarHBondContact OE1-N 3.5Å; W1349-T1351 PolarHBondContact O-N 3.02Å; W1349-E1352 WeakPolarHBondContact CZ3-OE2 3.46Å; W1349-E1352 PolarHBondContact O-N 3.15Å; W1349-F1353 HydrophobicContact CB-CD2 4.24Å; W1349-F1353 HydrophobicContact CB-CE1 4.46Å; W1349-F1353 HydrophobicContact CB-CE2 3.62Å; W1349-F1353 HydrophobicContact CB-CZ 3.74Å; W1349-F1353 HydrophobicContact CD2-CE1 4.32Å; W1349-F1353 AromaticContact CD2-CZ 3.97Å; W1349-F1353 HydrophobicContact CD2-CZ 3.97Å; W1349-F1353 HydrophobicContact CE3-CD1 4.45Å; W1349-F1353 AromaticContact CE3-CE1 3.57Å; W1349-F1353 HydrophobicContact CE3-CE1 3.57Å; W1349-F1353 AromaticContact CE3-CZ 3.7Å; W1349-F1353 HydrophobicContact CE3-CZ 3.7Å; W1349-F1353 HydrophobicContact CG-CE2 4.37Å; W1349-F1353 HydrophobicContact CG-CZ 4.05Å; W1349-F1353 HydrophobicContact CZ3-CE1 4.2Å; W1349-F1353 WeakPolarHBondContact O-CB 3.3Å; W1349-F1353 WeakPolarHBondContact O-CD2 3.4Å; W1349-F1353 WeakPolarHBondContact O-CG 3.43Å; W1349-F1353 PolarHBondContact O-N 2.92Å; W1349-I1390 HydrophobicContact CE3-CD1 4.07Å; W1349-I1390 HydrophobicContact CZ3-CD1 3.6Å; W1349-W1429 AromaticContact CH2-CH2 3.83Å; W1349-W1429 HydrophobicContact CH2-CH2 3.83Å; W1349-W1429 AromaticContact CH2-CZ3 3.77Å; W1349-W1429 HydrophobicContact CH2-CZ3 3.77Å; W1349-W1429 AromaticContact CZ2-CH2 3.97Å; W1349-W1429 HydrophobicContact CZ2-CH2 3.97Å; W1349-W1429 HydrophobicContact CZ2-CZ3 4.1Å; W1349-L1438 HydrophobicContact CH2-CD1 4.24Å
1350E89.9Confident90Very high18 Ų1842.3 Ų42.38%0.08422%0.224CC..Hα-helixtrans-57.7-47.3176.3-171.3-177.3-166.300111.9H1189 E1352 F1353 R1354H1189-E1350 IonicContact CD2-OE1 2.64Å; H1189-E1350 PolarHBondContact N-OE1 3Å; E1350-E1352 VanDerWaalsContact C-N 3.34Å; E1350-E1352 PolarHBondContact O-N 3.45Å; E1350-F1353 PolarHBondContact O-N 3.37Å; E1350-R1354 WeakPolarHBondContact O-CG 3.44Å; E1350-R1354 PolarHBondContact O-N 3.2Å; E1350-R1354 IonicContact OE1-CZ 3.92Å; E1350-R1354 IonicContact OE1-NH1 3.24Å; E1350-R1354 PolarHBondContact OE1-NH1 2.84Å; E1350-R1354 IonicContact OE1-NH2 2.9Å; E1350-R1354 PolarHBondContact OE1-NH2 3.1Å
1351T90.1Very high90.1Very high74 Ų7444 Ų4445%0.45424%0.239SC..Hα-helixtrans-62.8-43.1177.4-570000110.9L1347 S1348 W1349 R1354 D1355L1347-T1351 HydrophobicContact CD2-CG2 4.46Å; S1348-T1351 WeakPolarHBondContact OG-CB 3.36Å; S1348-T1351 PolarHBondContact OG-N 2.87Å; S1348-T1351 PolarHBondContact OG-OG1 2.83Å; W1349-T1351 PolarHBondContact O-N 3.02Å; T1351-R1354 PolarHBondContact O-N 3.13Å; T1351-D1355 WeakPolarHBondContact O-CB 3.44Å; T1351-D1355 PolarHBondContact O-N 3.07Å
1352E91.3Very high90.3Very high1 Ų145.6 Ų45.61%0.00525%0.246CC..Hα-helixtrans-68.9-34.2179.8-167.7176-158.800113.1R1249 S1348 W1349 E1350 S1356 I1390 R1392R1249-E1352 IonicContact CZ-OE2 3.95Å; R1249-E1352 IonicContact NH1-OE2 3.63Å; R1249-E1352 PolarHBondContact NH1-OE2 3Å; R1249-E1352 IonicContact NH2-OE1 3.89Å; R1249-E1352 IonicContact NH2-OE2 3.44Å; R1249-E1352 PolarHBondContact NH2-OE2 3.38Å; S1348-E1352 WeakPolarHBondContact O-CB 3.14Å; S1348-E1352 PolarHBondContact O-N 3.19Å; S1348-E1352 VanDerWaalsContact O-N 3.11Å; W1349-E1352 WeakPolarHBondContact CZ3-OE2 3.46Å; W1349-E1352 PolarHBondContact O-N 3.15Å; E1350-E1352 VanDerWaalsContact C-N 3.34Å; E1350-E1352 PolarHBondContact O-N 3.45Å; E1352-S1356 WeakPolarHBondContact O-CB 3.48Å; E1352-S1356 PolarHBondContact O-N 2.86Å; E1352-I1390 HydrophobicContact CG-CD1 3.87Å; E1352-I1390 HydrophobicContact CG-CG1 4.06Å; E1352-R1392 IonicContact OE1-CZ 3.77Å; E1352-R1392 IonicContact OE1-NH1 2.78Å; E1352-R1392 PolarHBondContact OE1-NH1 3Å; E1352-R1392 IonicContact OE1-NH2 3.49Å; E1352-R1392 PolarHBondContact OE1-NH2 2.99Å
1353F92.5Very high90.3Very high8 Ų847.2 Ų47.24%0.03525%0.252CS..Hα-helixtrans-69.8-42.4176-62-28.7000111.7P921 L922 Y925 W1188 W1349 E1350 S1356 Q1357 I1390P921-F1353 HydrophobicContact CB-CZ 4.31Å; L922-F1353 HydrophobicContact CB-CE1 3.79Å; L922-F1353 HydrophobicContact CB-CZ 3.9Å; L922-F1353 HydrophobicContact CD1-CD1 3.77Å; L922-F1353 HydrophobicContact CD1-CD2 4.44Å; L922-F1353 HydrophobicContact CD1-CE1 3.78Å; L922-F1353 HydrophobicContact CD1-CE2 4.43Å; L922-F1353 HydrophobicContact CD1-CG 4.13Å; L922-F1353 HydrophobicContact CD1-CZ 4.13Å; L922-F1353 HydrophobicContact CG-CE1 4.32Å; Y925-F1353 VanDerWaalsContact CB-CE2 3.49Å; Y925-F1353 AromaticContact CD1-CD2 3.83Å; Y925-F1353 HydrophobicContact CD1-CD2 3.83Å; Y925-F1353 HydrophobicContact CD1-CE2 4.37Å; Y925-F1353 HydrophobicContact CD1-CG 4.48Å; Y925-F1353 AromaticContact CD2-CD2 3.77Å; Y925-F1353 HydrophobicContact CD2-CD2 3.77Å; Y925-F1353 HydrophobicContact CD2-CE2 4.1Å; Y925-F1353 HydrophobicContact CE1-CD2 4.34Å; Y925-F1353 HydrophobicContact CE2-CD2 4.29Å; Y925-F1353 AromaticContact CG-CD2 3.53Å; Y925-F1353 HydrophobicContact CG-CD2 3.53Å; Y925-F1353 AromaticContact CG-CE2 3.75Å; Y925-F1353 HydrophobicContact CG-CE2 3.75Å; W1188-F1353 HydrophobicContact CZ2-CE2 4.28Å; W1349-F1353 HydrophobicContact CB-CD2 4.24Å; W1349-F1353 HydrophobicContact CB-CE1 4.46Å; W1349-F1353 HydrophobicContact CB-CE2 3.62Å; W1349-F1353 HydrophobicContact CB-CZ 3.74Å; W1349-F1353 HydrophobicContact CD2-CE1 4.32Å; W1349-F1353 AromaticContact CD2-CZ 3.97Å; W1349-F1353 HydrophobicContact CD2-CZ 3.97Å; W1349-F1353 HydrophobicContact CE3-CD1 4.45Å; W1349-F1353 AromaticContact CE3-CE1 3.57Å; W1349-F1353 HydrophobicContact CE3-CE1 3.57Å; W1349-F1353 AromaticContact CE3-CZ 3.7Å; W1349-F1353 HydrophobicContact CE3-CZ 3.7Å; W1349-F1353 HydrophobicContact CG-CE2 4.37Å; W1349-F1353 HydrophobicContact CG-CZ 4.05Å; W1349-F1353 HydrophobicContact CZ3-CE1 4.2Å; W1349-F1353 WeakPolarHBondContact O-CB 3.3Å; W1349-F1353 WeakPolarHBondContact O-CD2 3.4Å; W1349-F1353 WeakPolarHBondContact O-CG 3.43Å; W1349-F1353 PolarHBondContact O-N 2.92Å; E1350-F1353 PolarHBondContact O-N 3.37Å; F1353-S1356 WeakPolarHBondContact O-CB 3.43Å; F1353-S1356 PolarHBondContact O-N 2.87Å; F1353-Q1357 WeakPolarHBondContact O-CG 3.26Å; F1353-Q1357 PolarHBondContact O-N 3.21Å; F1353-I1390 HydrophobicContact CD1-CD1 3.87Å; F1353-I1390 HydrophobicContact CE1-CD1 3.69Å
1354R89.6Confident90.4Very high83 Ų8347.7 Ų47.731%0.31326%0.264SS..Hα-helixtrans-65.2-45.6173.8-72.5-173.9176.9147.711.3112.1E1350 T1351 S1356 Q1357 S1358E1350-R1354 WeakPolarHBondContact O-CG 3.44Å; E1350-R1354 PolarHBondContact O-N 3.2Å; E1350-R1354 IonicContact OE1-CZ 3.92Å; E1350-R1354 IonicContact OE1-NH1 3.24Å; E1350-R1354 PolarHBondContact OE1-NH1 2.84Å; E1350-R1354 IonicContact OE1-NH2 2.9Å; E1350-R1354 PolarHBondContact OE1-NH2 3.1Å; T1351-R1354 PolarHBondContact O-N 3.13Å; R1354-S1356 VanDerWaalsContact C-N 3.26Å; R1354-S1356 PolarHBondContact O-N 3.07Å; R1354-Q1357 PolarHBondContact O-N 2.83Å; R1354-S1358 PolarHBondContact O-N 2.72Å; R1354-S1358 VanDerWaalsContact O-N 3.1Å
1355D89.2Confident90.6Very high33 Ų3347.9 Ų47.918%0.17626%0.257CS..Hα-helixtrans-60.5-39175.2-173.854.7000110.6T1351 Q1357 S1358 V1359 R1388T1351-D1355 WeakPolarHBondContact O-CB 3.44Å; T1351-D1355 PolarHBondContact O-N 3.07Å; D1355-Q1357 PolarHBondContact O-N 3.43Å; D1355-S1358 PolarHBondContact O-N 3.4Å; D1355-V1359 WeakPolarHBondContact O-CB 3.32Å; D1355-V1359 VanDerWaalsContact O-CG2 3.29Å; D1355-V1359 WeakPolarHBondContact O-CG2 3.31Å; D1355-V1359 PolarHBondContact O-N 2.98Å; D1355-R1388 IonicContact OD1-NH1 3.78Å; D1355-R1388 PolarHBondContact OD1-NH1 2.79Å; D1355-R1388 WeakPolarHBondContact OD2-CB 3.42Å; D1355-R1388 WeakPolarHBondContact OD2-CD 3.48Å
1356S91.2Very high90.6Very high14 Ų1447.2 Ų47.210%0.09826%0.255CS..Hα-helixtrans-61.9-43.3174.3-172.20000113.1E1352 F1353 R1354 S1358 W1360 I1390E1352-S1356 WeakPolarHBondContact O-CB 3.48Å; E1352-S1356 PolarHBondContact O-N 2.86Å; F1353-S1356 WeakPolarHBondContact O-CB 3.43Å; F1353-S1356 PolarHBondContact O-N 2.87Å; R1354-S1356 VanDerWaalsContact C-N 3.26Å; R1354-S1356 PolarHBondContact O-N 3.07Å; S1356-S1358 VanDerWaalsContact C-N 3.32Å; S1356-S1358 PolarHBondContact O-N 3.3Å; S1356-W1360 WeakPolarHBondContact O-CB 3.45Å; S1356-W1360 VanDerWaalsContact O-CD1 3.28Å; S1356-W1360 PolarHBondContact O-N 2.82Å; S1356-I1390 PolarHBondContact OG-N 2.87Å; S1356-I1390 PolarHBondContact OG-O 3.23Å
1357Q88.3Confident90.5Very high131 Ų13153.1 Ų53.161%0.61228%0.277SS*.Hα-helixtrans-60.9-43.4176-72.4174.9-18.200111F1353 R1354 D1355 A1361F1353-Q1357 WeakPolarHBondContact O-CG 3.26Å; F1353-Q1357 PolarHBondContact O-N 3.21Å; R1354-Q1357 PolarHBondContact O-N 2.83Å; D1355-Q1357 PolarHBondContact O-N 3.43Å; Q1357-A1361 VanDerWaalsContact O-CB 3.27Å; Q1357-A1361 WeakPolarHBondContact O-CB 3.45Å; Q1357-A1361 PolarHBondContact O-N 3.39Å; Q1357-A1361 VanDerWaalsContact O-N 3.12Å
1358S89Confident90.5Very high71 Ų7154.5 Ų54.550%0.49728%0.28SS..Hα-helixtrans-65.5-52.9178.4-1690000112.5R1354 D1355 S1356 W1360 A1361 E1362R1354-S1358 PolarHBondContact O-N 2.72Å; R1354-S1358 VanDerWaalsContact O-N 3.1Å; D1355-S1358 PolarHBondContact O-N 3.4Å; S1356-S1358 VanDerWaalsContact C-N 3.32Å; S1356-S1358 PolarHBondContact O-N 3.3Å; S1358-W1360 PolarHBondContact O-N 3.24Å; S1358-A1361 PolarHBondContact O-N 3.46Å; S1358-E1362 WeakPolarHBondContact O-CB 3.38Å; S1358-E1362 PolarHBondContact O-N 2.92Å
1359V91.3Very high90.4Very high6 Ų658.1 Ų58.14%0.03630%0.295CS..Hα-helixtrans-63.8-39.5-175.6169.10000111.7D1355 Y1363 R1388 I1393D1355-V1359 WeakPolarHBondContact O-CB 3.32Å; D1355-V1359 VanDerWaalsContact O-CG2 3.29Å; D1355-V1359 WeakPolarHBondContact O-CG2 3.31Å; D1355-V1359 PolarHBondContact O-N 2.98Å; V1359-Y1363 VanDerWaalsContact O-CB 3.31Å; V1359-Y1363 WeakPolarHBondContact O-CB 3.38Å; V1359-Y1363 PolarHBondContact O-N 2.72Å; V1359-R1388 HydrophobicContact CG1-CB 4.42Å; V1359-R1388 HydrophobicContact CG2-CB 3.91Å; V1359-I1393 HydrophobicContact CG1-CD1 4.17Å
1360W92Very high90.2Very high69 Ų6958.3 Ų58.326%0.26130%0.296SS..Hα-helixtrans-73.9-31.8177.4-80.4100.6000112.8S1356 S1358 Y1363 A1364 P1391 L1396S1356-W1360 WeakPolarHBondContact O-CB 3.45Å; S1356-W1360 VanDerWaalsContact O-CD1 3.28Å; S1356-W1360 PolarHBondContact O-N 2.82Å; S1358-W1360 PolarHBondContact O-N 3.24Å; W1360-Y1363 AromaticContact CE3-CD1 3.83Å; W1360-Y1363 HydrophobicContact CE3-CD1 3.83Å; W1360-Y1363 HydrophobicContact CE3-CE1 4.47Å; W1360-Y1363 AromaticContact CZ3-CD1 3.8Å; W1360-Y1363 HydrophobicContact CZ3-CD1 3.8Å; W1360-Y1363 HydrophobicContact CZ3-CE1 4.02Å; W1360-A1364 WeakPolarHBondContact O-CB 3.18Å; W1360-A1364 PolarHBondContact O-N 3.38Å; W1360-P1391 HydrophobicContact CZ2-CB 4.38Å; W1360-P1391 VanDerWaalsContact CZ2-O 3.28Å; W1360-P1391 WeakPolarHBondContact CZ2-O 3.42Å; W1360-P1391 PolarHBondContact NE1-O 3.24Å; W1360-L1396 HydrophobicContact CH2-CD1 4.08Å; W1360-L1396 HydrophobicContact CH2-CD2 4.26Å; W1360-L1396 HydrophobicContact CH2-CG 4.32Å; W1360-L1396 HydrophobicContact CZ3-CD1 4.27Å
1361A90Very high90.1Very high55 Ų5562.3 Ų62.346%0.45532%0.318SS..Hα-helixtrans-66.7-44.6170.800000111.3Q1357 S1358 A1364 L1365Q1357-A1361 VanDerWaalsContact O-CB 3.27Å; Q1357-A1361 WeakPolarHBondContact O-CB 3.45Å; Q1357-A1361 PolarHBondContact O-N 3.39Å; Q1357-A1361 VanDerWaalsContact O-N 3.12Å; S1358-A1361 PolarHBondContact O-N 3.46Å; A1361-A1364 WeakPolarHBondContact O-CB 3.36Å; A1361-A1364 PolarHBondContact O-N 2.74Å; A1361-L1365 WeakPolarHBondContact O-CG 3.28Å; A1361-L1365 PolarHBondContact O-N 2.87Å
1362E89.8Confident90.1Very high68 Ų6862.8 Ų62.832%0.31833%0.329SS..Hα-helixtrans-62.2-44.2175.2-171.4-171.6158.200111.7S1358 A1364 L1365 K1366S1358-E1362 WeakPolarHBondContact O-CB 3.38Å; S1358-E1362 PolarHBondContact O-N 2.92Å; E1362-A1364 VanDerWaalsContact C-N 3.31Å; E1362-A1364 PolarHBondContact O-N 3.26Å; E1362-L1365 PolarHBondContact O-N 2.7Å; E1362-K1366 HydrophobicContact CG-CD 4.21Å; E1362-K1366 HydrophobicContact CG-CG 4.46Å; E1362-K1366 WeakPolarHBondContact O-CB 3.41Å; E1362-K1366 WeakPolarHBondContact O-CG 3.43Å; E1362-K1366 PolarHBondContact O-N 3.29Å; E1362-K1366 WeakPolarHBondContact OE1-CE 3.4Å; E1362-K1366 IonicContact OE1-NZ 3.95Å; E1362-K1366 PolarHBondContact OE1-NZ 3.02Å
1363Y90.9Very high90Very high33 Ų3368.4 Ų68.413%0.12936%0.356CS..Hα-helixtrans-60.1-40.9173.5173.3-102.8000112V1359 W1360 R1367 L1377 L1382 I1393 L1396V1359-Y1363 VanDerWaalsContact O-CB 3.31Å; V1359-Y1363 WeakPolarHBondContact O-CB 3.38Å; V1359-Y1363 PolarHBondContact O-N 2.72Å; W1360-Y1363 AromaticContact CE3-CD1 3.83Å; W1360-Y1363 HydrophobicContact CE3-CD1 3.83Å; W1360-Y1363 HydrophobicContact CE3-CE1 4.47Å; W1360-Y1363 AromaticContact CZ3-CD1 3.8Å; W1360-Y1363 HydrophobicContact CZ3-CD1 3.8Å; W1360-Y1363 HydrophobicContact CZ3-CE1 4.02Å; Y1363-R1367 WeakPolarHBondContact O-CB 3.43Å; Y1363-R1367 PolarHBondContact O-N 3.21Å; Y1363-L1377 HydrophobicContact CD2-CD2 4.12Å; Y1363-L1377 HydrophobicContact CE2-CD2 3.65Å; Y1363-L1382 HydrophobicContact CD2-CD1 4.39Å; Y1363-L1382 HydrophobicContact CD2-CD2 4.09Å; Y1363-L1382 HydrophobicContact CE2-CD1 4.34Å; Y1363-I1393 HydrophobicContact CD2-CD1 3.79Å; Y1363-I1393 HydrophobicContact CD2-CG1 4.32Å; Y1363-I1393 HydrophobicContact CG-CD1 4.05Å; Y1363-L1396 HydrophobicContact CD2-CD1 4.5Å; Y1363-L1396 HydrophobicContact CE1-CD1 3.94Å; Y1363-L1396 HydrophobicContact CE2-CD1 3.83Å
1364A91Very high89.7Confident54 Ų5475.4 Ų75.445%0.44639%0.394SS..Hα-helixtrans-62.8-42.6176.600000111.5W1360 A1361 E1362 R1367 Q1368W1360-A1364 WeakPolarHBondContact O-CB 3.18Å; W1360-A1364 PolarHBondContact O-N 3.38Å; A1361-A1364 WeakPolarHBondContact O-CB 3.36Å; A1361-A1364 PolarHBondContact O-N 2.74Å; E1362-A1364 VanDerWaalsContact C-N 3.31Å; E1362-A1364 PolarHBondContact O-N 3.26Å; A1364-R1367 PolarHBondContact O-N 3.1Å; A1364-Q1368 WeakPolarHBondContact O-CB 3.31Å; A1364-Q1368 PolarHBondContact O-N 3.42Å
1365L91.6Very high89.5Confident100 Ų10076.1 Ų76.152%0.52440%0.396SS..Hα-helixtrans-63.9-53.9173.7-68.4172.7000111.6A1361 E1362 R1367 Q1368 E1369A1361-L1365 WeakPolarHBondContact O-CG 3.28Å; A1361-L1365 PolarHBondContact O-N 2.87Å; E1362-L1365 PolarHBondContact O-N 2.7Å; L1365-R1367 PolarHBondContact O-N 3.04Å; L1365-Q1368 CarbonylContact O-C 3.59Å; L1365-Q1368 WeakPolarHBondContact O-CA 3.44Å; L1365-Q1368 WeakPolarHBondContact O-CB 3.23Å; L1365-Q1368 PolarHBondContact O-N 3.02Å; L1365-E1369 WeakPolarHBondContact O-CG 3.39Å; L1365-E1369 PolarHBondContact O-N 3.47Å
1366K90Very high89.1Confident36 Ų3685 Ų8516%0.15743%0.427CS..Hα-helixtrans-54.8-38.4176.3-76.6179170.8171.80111.7E1362 A1370 L1377 D1381 L1382 D1384E1362-K1366 HydrophobicContact CG-CD 4.21Å; E1362-K1366 HydrophobicContact CG-CG 4.46Å; E1362-K1366 WeakPolarHBondContact O-CB 3.41Å; E1362-K1366 WeakPolarHBondContact O-CG 3.43Å; E1362-K1366 PolarHBondContact O-N 3.29Å; E1362-K1366 WeakPolarHBondContact OE1-CE 3.4Å; E1362-K1366 IonicContact OE1-NZ 3.95Å; E1362-K1366 PolarHBondContact OE1-NZ 3.02Å; K1366-A1370 WeakPolarHBondContact O-CB 3.09Å; K1366-A1370 PolarHBondContact O-N 3.49Å; K1366-L1377 HydrophobicContact CB-CD1 4.25Å; K1366-D1381 PolarHBondContact NZ-O 3.06Å; K1366-L1382 HydrophobicContact CD-CD2 4.21Å; K1366-D1384 IonicContact NZ-OD1 3.26Å; K1366-D1384 IonicContact NZ-OD2 2.96Å; K1366-D1384 PolarHBondContact NZ-OD2 3.38Å
1367R88.2Confident88.8Confident136 Ų13685.6 Ų85.651%0.51343%0.429SS..Hα-helixtrans-70.5-41.6175.3-177.8179.8178-166.1-3.1112.1Y1363 A1364 L1365 A1370 N1371Y1363-R1367 WeakPolarHBondContact O-CB 3.43Å; Y1363-R1367 PolarHBondContact O-N 3.21Å; A1364-R1367 PolarHBondContact O-N 3.1Å; L1365-R1367 PolarHBondContact O-N 3.04Å; R1367-A1370 PolarHBondContact O-N 3.23Å; R1367-N1371 WeakPolarHBondContact O-CB 3.42Å; R1367-N1371 PolarHBondContact O-N 3.43Å; R1367-N1371 PolarHBondContact O-ND2 2.91Å
1368Q90.4Very high88.5Confident131 Ų13182.8 Ų82.861%0.61242%0.421SS*.Hα-helixtrans-64.2-42.7175.5-176176.3-3.400110.9A1364 L1365 N1371 A1372A1364-Q1368 WeakPolarHBondContact O-CB 3.31Å; A1364-Q1368 PolarHBondContact O-N 3.42Å; L1365-Q1368 CarbonylContact O-C 3.59Å; L1365-Q1368 WeakPolarHBondContact O-CA 3.44Å; L1365-Q1368 WeakPolarHBondContact O-CB 3.23Å; L1365-Q1368 PolarHBondContact O-N 3.02Å; Q1368-N1371 PolarHBondContact O-N 3.46Å; Q1368-A1372 VanDerWaalsContact O-CB 3.29Å; Q1368-A1372 WeakPolarHBondContact O-CB 3.45Å; Q1368-A1372 PolarHBondContact O-N 3.33Å
1369E89Confident88Confident100 Ų10083.8 Ų83.847%0.46742%0.42SS..Hα-helixtrans-62.2-45.9173.1-72176.3-177.500111.7L1365 N1371 A1372 Q1373L1365-E1369 WeakPolarHBondContact O-CG 3.39Å; L1365-E1369 PolarHBondContact O-N 3.47Å; E1369-N1371 VanDerWaalsContact C-N 3.34Å; E1369-N1371 PolarHBondContact O-N 2.68Å; E1369-A1372 PolarHBondContact O-N 2.56Å; E1369-Q1373 VanDerWaalsContact O-CB 3.29Å; E1369-Q1373 WeakPolarHBondContact O-CB 3.05Å; E1369-Q1373 VanDerWaalsContact O-CG 3.27Å; E1369-Q1373 WeakPolarHBondContact O-CG 3.46Å; E1369-Q1373 PolarHBondContact O-N 3.02Å
1370A88Confident87.5Confident3 Ų391.6 Ų91.63%0.02546%0.456CS..Hα-helixtrans-61.9-42176.900000111.8K1366 R1367 Q1373 N1374 R1375 L1377K1366-A1370 WeakPolarHBondContact O-CB 3.09Å; K1366-A1370 PolarHBondContact O-N 3.49Å; R1367-A1370 PolarHBondContact O-N 3.23Å; A1370-Q1373 CarbonylContact O-C 3.58Å; A1370-Q1373 PolarHBondContact O-N 3.2Å; A1370-N1374 CarbonylContact O-C 3.48Å; A1370-N1374 WeakPolarHBondContact O-CA 3.32Å; A1370-N1374 PolarHBondContact O-N 3.44Å; A1370-R1375 CarbonylContact C-O 3.52Å; A1370-R1375 HydrophobicContact CB-CG 3.89Å; A1370-R1375 PolarHBondContact O-N 3Å; A1370-L1377 HydrophobicContact CB-CD1 4.17Å
1371N88.7Confident87Confident103 Ų10390.3 Ų90.355%0.55146%0.455SS*.Hα-helixtrans-65.4-42.5174.1-73.4-15.5000111.9R1367 Q1368 E1369 Q1373 N1374R1367-N1371 WeakPolarHBondContact O-CB 3.42Å; R1367-N1371 PolarHBondContact O-N 3.43Å; R1367-N1371 PolarHBondContact O-ND2 2.91Å; Q1368-N1371 PolarHBondContact O-N 3.46Å; E1369-N1371 VanDerWaalsContact C-N 3.34Å; E1369-N1371 PolarHBondContact O-N 2.68Å; N1371-Q1373 VanDerWaalsContact C-N 3.29Å; N1371-Q1373 PolarHBondContact O-N 3.27Å; N1371-N1374 PolarHBondContact O-N 3.01Å; N1371-N1374 VanDerWaalsContact O-N 3.17Å; N1371-N1374 PolarHBondContact O-OD1 3.37Å
1372A90.5Very high86.6Confident83 Ų8387.7 Ų87.769%0.68643%0.433SS*.Hα-helixtrans-65.1-33.417700000112.1Q1368 E1369Q1368-A1372 VanDerWaalsContact O-CB 3.29Å; Q1368-A1372 WeakPolarHBondContact O-CB 3.45Å; Q1368-A1372 PolarHBondContact O-N 3.33Å; E1369-A1372 PolarHBondContact O-N 2.56Å
1373Q89.5Confident86.2Confident119 Ų11990.1 Ų90.156%0.55644%0.444SS*.THydrogen-bonded Turntrans-87.6-0.4175.5-68.3175.5-2.900113.5E1369 A1370 N1371 R1375E1369-Q1373 VanDerWaalsContact O-CB 3.29Å; E1369-Q1373 WeakPolarHBondContact O-CB 3.05Å; E1369-Q1373 VanDerWaalsContact O-CG 3.27Å; E1369-Q1373 WeakPolarHBondContact O-CG 3.46Å; E1369-Q1373 PolarHBondContact O-N 3.02Å; A1370-Q1373 CarbonylContact O-C 3.58Å; A1370-Q1373 PolarHBondContact O-N 3.2Å; N1371-Q1373 VanDerWaalsContact C-N 3.29Å; N1371-Q1373 PolarHBondContact O-N 3.27Å; Q1373-R1375 HydrophobicContact CB-CG 4.07Å; Q1373-R1375 PolarHBondContact O-N 3.2Å; Q1373-R1375 VanDerWaalsContact O-N 3.1Å; Q1373-R1375 VanDerWaalsContact OE1-CD 3.28Å; Q1373-R1375 VanDerWaalsContact OE1-CZ 3.3Å
1374N85.2Confident85.8Confident156 Ų15692.8 Ų92.883%0.83446%0.461SS*.THydrogen-bonded Turntrans51.326.7-172.4-65.6-55.3000114.7A1370 N1371A1370-N1374 CarbonylContact O-C 3.48Å; A1370-N1374 WeakPolarHBondContact O-CA 3.32Å; A1370-N1374 PolarHBondContact O-N 3.44Å; N1371-N1374 PolarHBondContact O-N 3.01Å; N1371-N1374 VanDerWaalsContact O-N 3.17Å; N1371-N1374 PolarHBondContact O-OD1 3.37Å
1375R84.6Confident85.5Confident97 Ų9790.5 Ų90.537%0.36644%0.442SS..PPolyproline II helixtrans-95.5149.1175.266.7174.8176.6155.4-4.2110.7A1370 Q1373 D1381A1370-R1375 CarbonylContact C-O 3.52Å; A1370-R1375 HydrophobicContact CB-CG 3.89Å; A1370-R1375 PolarHBondContact O-N 3Å; Q1373-R1375 HydrophobicContact CB-CG 4.07Å; Q1373-R1375 PolarHBondContact O-N 3.2Å; Q1373-R1375 VanDerWaalsContact O-N 3.1Å; Q1373-R1375 VanDerWaalsContact OE1-CD 3.28Å; Q1373-R1375 VanDerWaalsContact OE1-CZ 3.3Å; R1375-D1381 IonicContact NH1-OD1 3.68Å
1376R81.9Confident85.3Confident219 Ų21989 Ų8983%0.82643%0.429SS*.PPolyproline II helixtrans-83.8131.2167.7-176.7175.2173.9171.7-3.1108.7T1378R1376-T1378 PolarHBondContact O-N 2.95Å
1377L84Confident85Confident27 Ų2791.3 Ų91.314%0.14144%0.443CS..PPolyproline II helixtrans-60.4125.6174.6-155.875.1000110.4Y1363 K1366 A1370 D1381 L1382Y1363-L1377 HydrophobicContact CD2-CD2 4.12Å; Y1363-L1377 HydrophobicContact CE2-CD2 3.65Å; K1366-L1377 HydrophobicContact CB-CD1 4.25Å; A1370-L1377 HydrophobicContact CB-CD1 4.17Å; L1377-D1381 HydrophobicContact CD1-CB 4.05Å; L1377-D1381 HydrophobicContact CG-CB 4.3Å; L1377-L1382 HydrophobicContact CD2-CD1 3.5Å; L1377-L1382 VanDerWaalsContact CD2-CD1 3.5Å; L1377-L1382 HydrophobicContact CD2-CD2 4.05Å; L1377-L1382 HydrophobicContact CD2-CG 3.83Å; L1377-L1382 HydrophobicContact CG-CD1 4.3Å; L1377-L1382 HydrophobicContact CG-CG 4.33Å
1378T82.7Confident85Confident72 Ų7290.9 Ų90.944%0.44244%0.441SS..PPolyproline II helixtrans-94.4171-179.4660000111.3R1376 E1380 D1381R1376-T1378 PolarHBondContact O-N 2.95Å; T1378-E1380 VanDerWaalsContact C-N 3.31Å; T1378-D1381 PolarHBondContact N-OD2 2.65Å; T1378-D1381 PolarHBondContact OG1-OD2 3.18Å
1379L78.9Confident84.7Confident92 Ų9284.6 Ų84.648%0.48241%0.412SS..SBendtrans-64.7-37.8177.2-178.763.7000111.6D1381 L1382 E1383 W1386L1379-D1381 VanDerWaalsContact C-N 3.3Å; L1379-D1381 PolarHBondContact O-N 3Å; L1379-L1382 PolarHBondContact O-N 3.27Å; L1379-L1382 VanDerWaalsContact O-N 3.13Å; L1379-E1383 PolarHBondContact O-N 3.18Å; L1379-E1383 VanDerWaalsContact O-N 3.17Å; L1379-W1386 HydrophobicContact CD1-CD2 4.24Å; L1379-W1386 HydrophobicContact CD1-CE3 3.54Å; L1379-W1386 HydrophobicContact CD1-CH2 3.44Å; L1379-W1386 VanDerWaalsContact CD1-CH2 3.44Å; L1379-W1386 HydrophobicContact CD1-CZ2 4.15Å; L1379-W1386 HydrophobicContact CD1-CZ3 3.09Å
1380E80.2Confident84.7Confident170 Ų17080.5 Ų80.579%0.79439%0.393SS*.G310 helixtrans-58.8-38.4-179.6-64.8-87.2149.500112.3T1378 L1382T1378-E1380 VanDerWaalsContact C-N 3.31Å; E1380-L1382 PolarHBondContact O-N 2.91Å; E1380-L1382 VanDerWaalsContact O-N 3.09Å
1381D81Confident84.8Confident42 Ų4282.7 Ų82.723%0.22541%0.407CS..G310 helixtrans-65-14.6-179.7-59.1-60.7000113.4K1366 R1375 L1377 T1378 L1379K1366-D1381 PolarHBondContact NZ-O 3.06Å; R1375-D1381 IonicContact NH1-OD1 3.68Å; L1377-D1381 HydrophobicContact CD1-CB 4.05Å; L1377-D1381 HydrophobicContact CG-CB 4.3Å; T1378-D1381 PolarHBondContact N-OD2 2.65Å; T1378-D1381 PolarHBondContact OG1-OD2 3.18Å; L1379-D1381 VanDerWaalsContact C-N 3.3Å; L1379-D1381 PolarHBondContact O-N 3Å
1382L82.5Confident84.9Confident1 Ų178.4 Ų78.41%0.00538%0.383CS..G310 helixtrans-127.93.8-172.2-65.9-178.4000114.4Y1363 K1366 L1377 L1379 E1380 D1384 S1385 W1386 I1393 F1397Y1363-L1382 HydrophobicContact CD2-CD1 4.39Å; Y1363-L1382 HydrophobicContact CD2-CD2 4.09Å; Y1363-L1382 HydrophobicContact CE2-CD1 4.34Å; K1366-L1382 HydrophobicContact CD-CD2 4.21Å; L1377-L1382 HydrophobicContact CD2-CD1 3.5Å; L1377-L1382 VanDerWaalsContact CD2-CD1 3.5Å; L1377-L1382 HydrophobicContact CD2-CD2 4.05Å; L1377-L1382 HydrophobicContact CD2-CG 3.83Å; L1377-L1382 HydrophobicContact CG-CD1 4.3Å; L1377-L1382 HydrophobicContact CG-CG 4.33Å; L1379-L1382 PolarHBondContact O-N 3.27Å; L1379-L1382 VanDerWaalsContact O-N 3.13Å; E1380-L1382 PolarHBondContact O-N 2.91Å; E1380-L1382 VanDerWaalsContact O-N 3.09Å; L1382-D1384 PolarHBondContact O-N 3.08Å; L1382-S1385 CarbonylContact O-C 3.58Å; L1382-S1385 PolarHBondContact O-N 3.45Å; L1382-S1385 VanDerWaalsContact O-N 3.14Å; L1382-S1385 PolarHBondContact O-OG 3.3Å; L1382-W1386 PolarHBondContact O-N 3.37Å; L1382-I1393 HydrophobicContact CD1-CD1 4.29Å; L1382-I1393 HydrophobicContact CD1-CG1 4.46Å; L1382-I1393 HydrophobicContact CD2-CD1 3.79Å; L1382-F1397 HydrophobicContact CD1-CE2 3.55Å; L1382-F1397 HydrophobicContact CD1-CZ 3.53Å
1383E81.1Confident84.9Confident118 Ų11874.4 Ų74.455%0.55135%0.351SS*.G310 helixtrans-63.1-32.5-178.4-170.964.1-160.700111.3L1379 S1385L1379-E1383 PolarHBondContact O-N 3.18Å; L1379-E1383 VanDerWaalsContact O-N 3.17Å; E1383-S1385 PolarHBondContact O-N 2.94Å
1384D81.9Confident84.9Confident90 Ų9070.1 Ų70.148%0.48133%0.332SS..G310 helixtrans-58.1-32.1174.657.63.9000114K1366 L1382K1366-D1384 IonicContact NZ-OD1 3.26Å; K1366-D1384 IonicContact NZ-OD2 2.96Å; K1366-D1384 PolarHBondContact NZ-OD2 3.38Å; L1382-D1384 PolarHBondContact O-N 3.08Å
1385S86.3Confident85.1Confident5 Ų563.6 Ų63.64%0.03530%0.297CS..G310 helixtrans-116.22.5-170.547.80000113L1382 E1383 D1387 R1388 I1393L1382-S1385 CarbonylContact O-C 3.58Å; L1382-S1385 PolarHBondContact O-N 3.45Å; L1382-S1385 VanDerWaalsContact O-N 3.14Å; L1382-S1385 PolarHBondContact O-OG 3.3Å; E1383-S1385 PolarHBondContact O-N 2.94Å; S1385-D1387 PolarHBondContact O-N 3.35Å; S1385-D1387 VanDerWaalsContact O-N 3.14Å; S1385-R1388 WeakPolarHBondContact O-CB 3.44Å; S1385-R1388 PolarHBondContact O-N 2.91Å; S1385-I1393 WeakPolarHBondContact O-CG2 3.38Å
1386W86.2Confident85.2Confident70 Ų7061.3 Ų61.327%0.26529%0.292SS..THydrogen-bonded Turntrans-50.8-44-168.3-173.1-108.1000115.7L1379 L1382 I1393 N1394 F1397L1379-W1386 HydrophobicContact CD1-CD2 4.24Å; L1379-W1386 HydrophobicContact CD1-CE3 3.54Å; L1379-W1386 HydrophobicContact CD1-CH2 3.44Å; L1379-W1386 VanDerWaalsContact CD1-CH2 3.44Å; L1379-W1386 HydrophobicContact CD1-CZ2 4.15Å; L1379-W1386 HydrophobicContact CD1-CZ3 3.09Å; L1382-W1386 PolarHBondContact O-N 3.37Å; W1386-I1393 VanDerWaalsContact CA-CG2 3.49Å; W1386-I1393 VanDerWaalsContact O-CG2 3.31Å; W1386-I1393 WeakPolarHBondContact O-CG2 3.4Å; W1386-N1394 HydrophobicContact CD2-CB 3.73Å; W1386-N1394 VanDerWaalsContact CE2-CB 3.42Å; W1386-N1394 HydrophobicContact CE3-CB 4.16Å; W1386-N1394 HydrophobicContact CG-CB 4.24Å; W1386-N1394 HydrophobicContact CH2-CB 4.06Å; W1386-N1394 HydrophobicContact CZ2-CB 3.62Å; W1386-N1394 HydrophobicContact CZ3-CB 4.29Å; W1386-N1394 VanDerWaalsContact O-CB 3.3Å; W1386-N1394 WeakPolarHBondContact O-CB 3.34Å; W1386-N1394 PolarHBondContact O-N 3.38Å; W1386-N1394 PolarHBondContact O-ND2 3.15Å; W1386-F1397 HydrophobicContact CE3-CD2 4.47Å; W1386-F1397 HydrophobicContact CH2-CB 3.86Å; W1386-F1397 AromaticContact CH2-CD2 3.66Å; W1386-F1397 HydrophobicContact CH2-CD2 3.66Å; W1386-F1397 HydrophobicContact CH2-CE2 4.48Å; W1386-F1397 AromaticContact CH2-CG 3.9Å; W1386-F1397 HydrophobicContact CH2-CG 3.9Å; W1386-F1397 HydrophobicContact CZ3-CB 4.45Å; W1386-F1397 AromaticContact CZ3-CD2 3.38Å; W1386-F1397 HydrophobicContact CZ3-CD2 3.38Å; W1386-F1397 AromaticContact CZ3-CE2 3.78Å; W1386-F1397 HydrophobicContact CZ3-CE2 3.78Å; W1386-F1397 HydrophobicContact CZ3-CG 4.01Å
1387D85.2Confident85.5Confident84 Ų8455 Ų5545%0.44927%0.271SS..THydrogen-bonded Turntrans-103.120.1-179.4-79.6-17.8000112.9S1385 R1392 N1394S1385-D1387 PolarHBondContact O-N 3.35Å; S1385-D1387 VanDerWaalsContact O-N 3.14Å; D1387-R1392 VanDerWaalsContact C-CD 3.4Å; D1387-R1392 WeakPolarHBondContact O-CD 3.41Å; D1387-R1392 PolarHBondContact O-NE 3.12Å; D1387-N1394 PolarHBondContact OD1-ND2 3.11Å
1388R86.8Confident85.6Confident126 Ų12656 Ų5648%0.47528%0.275SS..  trans-111.6162.2-177.9-57.2-170.5-171.7-1596.3113.3D1355 V1359 S1385 R1392 I1393D1355-R1388 IonicContact OD1-NH1 3.78Å; D1355-R1388 PolarHBondContact OD1-NH1 2.79Å; D1355-R1388 WeakPolarHBondContact OD2-CB 3.42Å; D1355-R1388 WeakPolarHBondContact OD2-CD 3.48Å; V1359-R1388 HydrophobicContact CG1-CB 4.42Å; V1359-R1388 HydrophobicContact CG2-CB 3.91Å; S1385-R1388 WeakPolarHBondContact O-CB 3.44Å; S1385-R1388 PolarHBondContact O-N 2.91Å; R1388-R1392 WeakPolarHBondContact O-CA 3.36Å; R1388-I1393 PolarHBondContact O-N 3.09Å; R1388-I1393 VanDerWaalsContact O-N 3.14Å
1389G85.1Confident85.7Confident0 Ų062.1 Ų62.10%030%0.295CS..THydrogen-bonded Turntrans85.5156.9178.100000116.4P1391 R1392G1389-P1391 VanDerWaalsContact C-C 3.45Å; G1389-P1391 CarbonylContact C-O 3.59Å; G1389-P1391 CarbonylContact O-C 3.58Å; G1389-P1391 VanDerWaalsContact O-O 3.13Å; G1389-R1392 VanDerWaalsContact O-CA 3.31Å; G1389-R1392 WeakPolarHBondContact O-CA 3.45Å; G1389-R1392 VanDerWaalsContact O-CD 3.29Å; G1389-R1392 WeakPolarHBondContact O-CD 3.48Å; G1389-R1392 PolarHBondContact O-N 3.03Å; G1389-R1392 PolarHBondContact O-NH1 3.23Å
1390I88.4Confident86.1Confident13 Ų1361.4 Ų61.47%0.06729%0.292CS..THydrogen-bonded Turntrans-122.4111.3171.7-60.3176.8000108.1P919 W1349 E1352 F1353 S1356 L1438P919-I1390 HydrophobicContact CG-CG2 3.93Å; W1349-I1390 HydrophobicContact CE3-CD1 4.07Å; W1349-I1390 HydrophobicContact CZ3-CD1 3.6Å; E1352-I1390 HydrophobicContact CG-CD1 3.87Å; E1352-I1390 HydrophobicContact CG-CG1 4.06Å; F1353-I1390 HydrophobicContact CD1-CD1 3.87Å; F1353-I1390 HydrophobicContact CE1-CD1 3.69Å; S1356-I1390 PolarHBondContact OG-N 2.87Å; S1356-I1390 PolarHBondContact OG-O 3.23Å; I1390-L1438 HydrophobicContact CG1-CD2 4.25Å
1391P89.7Confident86.4Confident49 Ų4958.7 Ų58.732%0.31827%0.274SS..THydrogen-bonded Turncis-62.4161.5-6.5-21.234.3000113.3W1360 G1389W1360-P1391 HydrophobicContact CZ2-CB 4.38Å; W1360-P1391 VanDerWaalsContact CZ2-O 3.28Å; W1360-P1391 WeakPolarHBondContact CZ2-O 3.42Å; W1360-P1391 PolarHBondContact NE1-O 3.24Å; G1389-P1391 VanDerWaalsContact C-C 3.45Å; G1389-P1391 CarbonylContact C-O 3.59Å; G1389-P1391 CarbonylContact O-C 3.58Å; G1389-P1391 VanDerWaalsContact O-O 3.13Å
1392R91.5Very high86.7Confident13 Ų1362.4 Ų62.45%0.04929%0.29CS..THydrogen-bonded Turntrans-66.9137.4177.2-69.8-72.6-170.6-106.76.8111.8E1352 D1387 R1388 G1389 N1394 T1395 D1435 L1438E1352-R1392 IonicContact OE1-CZ 3.77Å; E1352-R1392 IonicContact OE1-NH1 2.78Å; E1352-R1392 PolarHBondContact OE1-NH1 3Å; E1352-R1392 IonicContact OE1-NH2 3.49Å; E1352-R1392 PolarHBondContact OE1-NH2 2.99Å; D1387-R1392 VanDerWaalsContact C-CD 3.4Å; D1387-R1392 WeakPolarHBondContact O-CD 3.41Å; D1387-R1392 PolarHBondContact O-NE 3.12Å; R1388-R1392 WeakPolarHBondContact O-CA 3.36Å; G1389-R1392 VanDerWaalsContact O-CA 3.31Å; G1389-R1392 WeakPolarHBondContact O-CA 3.45Å; G1389-R1392 VanDerWaalsContact O-CD 3.29Å; G1389-R1392 WeakPolarHBondContact O-CD 3.48Å; G1389-R1392 PolarHBondContact O-N 3.03Å; G1389-R1392 PolarHBondContact O-NH1 3.23Å; R1392-N1394 VanDerWaalsContact C-N 3.26Å; R1392-N1394 WeakPolarHBondContact CB-OD1 3.45Å; R1392-N1394 PolarHBondContact O-N 3.12Å; R1392-T1395 HydrophobicContact CB-CG2 4.15Å; R1392-T1395 WeakPolarHBondContact O-CB 3.49Å; R1392-T1395 WeakPolarHBondContact O-CG2 3.41Å; R1392-T1395 PolarHBondContact O-N 2.97Å; R1392-T1395 PolarHBondContact O-OG1 2.88Å; R1392-D1435 VanDerWaalsContact CG-O 3.29Å; R1392-D1435 WeakPolarHBondContact CG-O 3.42Å; R1392-D1435 PolarHBondContact N-O 3.21Å; R1392-D1435 VanDerWaalsContact N-O 3.08Å; R1392-L1438 HydrophobicContact CG-CD2 4.15Å
1393I89.7Confident87.1Confident0 Ų063 Ų630%029%0.294CS..G310 helixtrans-60.8-34.2-176.1-154.5163.2000112.8V1359 Y1363 L1382 S1385 W1386 R1388 T1395 L1396V1359-I1393 HydrophobicContact CG1-CD1 4.17Å; Y1363-I1393 HydrophobicContact CD2-CD1 3.79Å; Y1363-I1393 HydrophobicContact CD2-CG1 4.32Å; Y1363-I1393 HydrophobicContact CG-CD1 4.05Å; L1382-I1393 HydrophobicContact CD1-CD1 4.29Å; L1382-I1393 HydrophobicContact CD1-CG1 4.46Å; L1382-I1393 HydrophobicContact CD2-CD1 3.79Å; S1385-I1393 WeakPolarHBondContact O-CG2 3.38Å; W1386-I1393 VanDerWaalsContact CA-CG2 3.49Å; W1386-I1393 VanDerWaalsContact O-CG2 3.31Å; W1386-I1393 WeakPolarHBondContact O-CG2 3.4Å; R1388-I1393 PolarHBondContact O-N 3.09Å; R1388-I1393 VanDerWaalsContact O-N 3.14Å; I1393-T1395 PolarHBondContact O-N 3.32Å; I1393-L1396 HydrophobicContact CG1-CD1 4.06Å; I1393-L1396 WeakPolarHBondContact O-CB 3.36Å; I1393-L1396 WeakPolarHBondContact O-CG 3.28Å; I1393-L1396 PolarHBondContact O-N 3.07Å; I1393-L1396 VanDerWaalsContact O-N 3.09Å
1394N89.7Confident87.5Confident29 Ų2958 Ų5816%0.15527%0.271CS..G310 helixtrans-60.1-19.1177.363.822.3000114.4W1386 D1387 R1392 L1396 F1397W1386-N1394 HydrophobicContact CD2-CB 3.73Å; W1386-N1394 VanDerWaalsContact CE2-CB 3.42Å; W1386-N1394 HydrophobicContact CE3-CB 4.16Å; W1386-N1394 HydrophobicContact CG-CB 4.24Å; W1386-N1394 HydrophobicContact CH2-CB 4.06Å; W1386-N1394 HydrophobicContact CZ2-CB 3.62Å; W1386-N1394 HydrophobicContact CZ3-CB 4.29Å; W1386-N1394 VanDerWaalsContact O-CB 3.3Å; W1386-N1394 WeakPolarHBondContact O-CB 3.34Å; W1386-N1394 PolarHBondContact O-N 3.38Å; W1386-N1394 PolarHBondContact O-ND2 3.15Å; D1387-N1394 PolarHBondContact OD1-ND2 3.11Å; R1392-N1394 VanDerWaalsContact C-N 3.26Å; R1392-N1394 WeakPolarHBondContact CB-OD1 3.45Å; R1392-N1394 PolarHBondContact O-N 3.12Å; N1394-L1396 PolarHBondContact O-N 3.22Å; N1394-F1397 PolarHBondContact O-N 2.83Å; N1394-F1397 VanDerWaalsContact O-N 3.1Å
1395T90.4Very high87.9Confident19 Ų1956.6 Ų56.612%0.11727%0.272CS..G310 helixtrans-64.8-25.917763.10000112.3R1392 I1393 F1397 Q1398R1392-T1395 HydrophobicContact CB-CG2 4.15Å; R1392-T1395 WeakPolarHBondContact O-CB 3.49Å; R1392-T1395 WeakPolarHBondContact O-CG2 3.41Å; R1392-T1395 PolarHBondContact O-N 2.97Å; R1392-T1395 PolarHBondContact O-OG1 2.88Å; I1393-T1395 PolarHBondContact O-N 3.32Å; T1395-F1397 PolarHBondContact O-N 2.89Å; T1395-Q1398 PolarHBondContact O-N 2.77Å
1396L86.9Confident88.2Confident49 Ų4958.9 Ų58.926%0.25728%0.28SS..G310 helixtrans-63-21.6174.8-62.1175000113W1360 Y1363 I1393 N1394 R1401W1360-L1396 HydrophobicContact CH2-CD1 4.08Å; W1360-L1396 HydrophobicContact CH2-CD2 4.26Å; W1360-L1396 HydrophobicContact CH2-CG 4.32Å; W1360-L1396 HydrophobicContact CZ3-CD1 4.27Å; Y1363-L1396 HydrophobicContact CD2-CD1 4.5Å; Y1363-L1396 HydrophobicContact CE1-CD1 3.94Å; Y1363-L1396 HydrophobicContact CE2-CD1 3.83Å; I1393-L1396 HydrophobicContact CG1-CD1 4.06Å; I1393-L1396 WeakPolarHBondContact O-CB 3.36Å; I1393-L1396 WeakPolarHBondContact O-CG 3.28Å; I1393-L1396 PolarHBondContact O-N 3.07Å; I1393-L1396 VanDerWaalsContact O-N 3.09Å; N1394-L1396 PolarHBondContact O-N 3.22Å; L1396-R1401 VanDerWaalsContact O-CD 3.28Å; L1396-R1401 WeakPolarHBondContact O-CD 3.5Å; L1396-R1401 PolarHBondContact O-NH1 2.85Å
1397F87.1Confident88.5Confident86 Ų8655.7 Ų55.738%0.37727%0.268SS..G310 helixtrans-106.411.2-176-58.8-80.8000113.9L1382 W1386 N1394 T1395L1382-F1397 HydrophobicContact CD1-CE2 3.55Å; L1382-F1397 HydrophobicContact CD1-CZ 3.53Å; W1386-F1397 HydrophobicContact CE3-CD2 4.47Å; W1386-F1397 HydrophobicContact CH2-CB 3.86Å; W1386-F1397 AromaticContact CH2-CD2 3.66Å; W1386-F1397 HydrophobicContact CH2-CD2 3.66Å; W1386-F1397 HydrophobicContact CH2-CE2 4.48Å; W1386-F1397 AromaticContact CH2-CG 3.9Å; W1386-F1397 HydrophobicContact CH2-CG 3.9Å; W1386-F1397 HydrophobicContact CZ3-CB 4.45Å; W1386-F1397 AromaticContact CZ3-CD2 3.38Å; W1386-F1397 HydrophobicContact CZ3-CD2 3.38Å; W1386-F1397 AromaticContact CZ3-CE2 3.78Å; W1386-F1397 HydrophobicContact CZ3-CE2 3.78Å; W1386-F1397 HydrophobicContact CZ3-CG 4.01Å; N1394-F1397 PolarHBondContact O-N 2.83Å; N1394-F1397 VanDerWaalsContact O-N 3.1Å; T1395-F1397 PolarHBondContact O-N 2.89Å
1398Q86Confident88.9Confident48 Ų4854.7 Ų54.722%0.22426%0.26CS..  trans-66.7143.9175.3-71.8179.216.600112.5T1395 D1400 R1401 R1433T1395-Q1398 PolarHBondContact O-N 2.77Å; Q1398-D1400 VanDerWaalsContact C-N 3.26Å; Q1398-D1400 PolarHBondContact O-N 2.9Å; Q1398-R1401 PolarHBondContact O-N 2.88Å; Q1398-R1433 VanDerWaalsContact CD-O 3.3Å; Q1398-R1433 PolarHBondContact NE2-O 2.93Å; Q1398-R1433 PolarHBondContact OE1-O 3.37Å
1399K86.1Confident89.1Confident201 Ų20148.8 Ų48.887%0.87424%0.238SC*.THydrogen-bonded Turntrans-58.2-38.1177.8-65.3-174.2178.3-175.40112.6
1400D85.7Confident89.5Confident77 Ų7749.2 Ų49.241%0.41224%0.24SC..THydrogen-bonded Turntrans-98.912.1-171.7-54.1-39.1000113.7Q1398 H1402 T1403 L1404Q1398-D1400 VanDerWaalsContact C-N 3.26Å; Q1398-D1400 PolarHBondContact O-N 2.9Å; D1400-H1402 PolarHBondContact O-N 3.42Å; D1400-H1402 VanDerWaalsContact O-N 3.1Å; D1400-T1403 WeakPolarHBondContact O-CA 3.34Å; D1400-T1403 WeakPolarHBondContact O-CB 3.44Å; D1400-T1403 PolarHBondContact O-N 3.07Å; D1400-L1404 HydrophobicContact CB-CD1 4.38Å; D1400-L1404 HydrophobicContact CB-CG 4.45Å; D1400-L1404 WeakPolarHBondContact O-CG 3.42Å; D1400-L1404 PolarHBondContact O-N 2.88Å
1401R87.6Confident89.8Confident113 Ų11348.7 Ų48.743%0.42624%0.237SC..Hα-helixtrans-52.5-37.8-17572.3-177.1-173171.82.6113.7L1396 Q1398 T1403 L1404 A1405L1396-R1401 VanDerWaalsContact O-CD 3.28Å; L1396-R1401 WeakPolarHBondContact O-CD 3.5Å; L1396-R1401 PolarHBondContact O-NH1 2.85Å; Q1398-R1401 PolarHBondContact O-N 2.88Å; R1401-T1403 VanDerWaalsContact C-N 3.26Å; R1401-T1403 PolarHBondContact O-N 3.48Å; R1401-L1404 PolarHBondContact O-N 3.12Å; R1401-A1405 PolarHBondContact O-N 3.14Å
1402H87.6Confident90Very high119 Ų11946.4 Ų46.455%0.55122%0.222SC*.Hα-helixtrans-68.3-27.8-179.3-65.2-68.7000112.1D1400 Y1406D1400-H1402 PolarHBondContact O-N 3.42Å; D1400-H1402 VanDerWaalsContact O-N 3.1Å; H1402-Y1406 VanDerWaalsContact O-CD2 3.23Å; H1402-Y1406 WeakPolarHBondContact O-CD2 3.21Å; H1402-Y1406 WeakPolarHBondContact O-CE2 3.4Å
1403T89.9Confident90Very high15 Ų1546 Ų469%0.09222%0.221CC..Hα-helixtrans-83.3-41.5174-54.90000110K809 I812 L813 D1400 R1401 A1405 Y1406K809-T1403 HydrophobicContact CB-CG2 4.48Å; K809-T1403 HydrophobicContact CD-CG2 4.18Å; K809-T1403 PolarHBondContact NZ-OG1 3.35Å; I812-T1403 HydrophobicContact CB-CG2 4.45Å; I812-T1403 HydrophobicContact CG2-CG2 4.15Å; L813-T1403 HydrophobicContact CD2-CG2 3.94Å; L813-T1403 HydrophobicContact CG-CG2 3.91Å; D1400-T1403 WeakPolarHBondContact O-CA 3.34Å; D1400-T1403 WeakPolarHBondContact O-CB 3.44Å; D1400-T1403 PolarHBondContact O-N 3.07Å; R1401-T1403 VanDerWaalsContact C-N 3.26Å; R1401-T1403 PolarHBondContact O-N 3.48Å; T1403-A1405 VanDerWaalsContact C-N 3.28Å; T1403-A1405 PolarHBondContact O-N 3.38Å; T1403-Y1406 PolarHBondContact O-N 3.1Å
1404L90.6Very high90.1Very high12 Ų1246.9 Ų46.96%0.06323%0.226CC..Hα-helixtrans-65.6-25.1-179-66.7169.7000114.2L813 D1400 R1401 Y1406 D1407 R1433L813-L1404 HydrophobicContact CD2-CD2 4.19Å; D1400-L1404 HydrophobicContact CB-CD1 4.38Å; D1400-L1404 HydrophobicContact CB-CG 4.45Å; D1400-L1404 WeakPolarHBondContact O-CG 3.42Å; D1400-L1404 PolarHBondContact O-N 2.88Å; R1401-L1404 PolarHBondContact O-N 3.12Å; L1404-Y1406 PolarHBondContact O-N 2.91Å; L1404-Y1406 VanDerWaalsContact O-N 3.08Å; L1404-D1407 WeakPolarHBondContact O-CB 3.07Å; L1404-D1407 PolarHBondContact O-N 3.42Å; L1404-R1433 HydrophobicContact CD1-CB 3.8Å; L1404-R1433 HydrophobicContact CD2-CB 4.16Å
1405A89.2Confident90.2Very high60 Ų6047 Ų4750%0.49623%0.225SC..THydrogen-bonded Turntrans-56.9-22.9173.500000113.4R1401 T1403 K1408R1401-A1405 PolarHBondContact O-N 3.14Å; T1403-A1405 VanDerWaalsContact C-N 3.28Å; T1403-A1405 PolarHBondContact O-N 3.38Å; A1405-K1408 WeakPolarHBondContact O-CE 3.47Å
1406Y92.6Very high90.3Very high54 Ų5446.2 Ų46.221%0.21222%0.221CC..THydrogen-bonded Turntrans-94-7.2177.3-55.7-77.5000113.5H806 K809 Y900 H1402 T1403 L1404 K1408H806-Y1406 HydrophobicContact CB-CD1 4.29Å; H806-Y1406 HydrophobicContact CB-CE1 4.21Å; H806-Y1406 AromaticContact CD2-CE1 3.98Å; H806-Y1406 AromaticContact CE1-CE1 3.55Å; H806-Y1406 AromaticContact CE1-CZ 3.73Å; H806-Y1406 PolarHBondContact CE1-OH 3.43Å; H806-Y1406 VanDerWaalsContact CE1-OH 3.29Å; H806-Y1406 AromaticContact CG-CE1 3.59Å; H806-Y1406 AromaticContact ND1-CE1 3.32Å; H806-Y1406 VanDerWaalsContact ND1-CE1 3.32Å; H806-Y1406 WeakPolarHBondContact ND1-CE1 3.29Å; H806-Y1406 AromaticContact ND1-CZ 3.38Å; H806-Y1406 PolarHBondContact ND1-OH 3.06Å; H806-Y1406 AromaticContact NE2-CE1 3.97Å; K809-Y1406 HydrophobicContact CB-CD2 3.98Å; K809-Y1406 HydrophobicContact CB-CE2 4.41Å; K809-Y1406 HydrophobicContact CG-CD2 4.24Å; K809-Y1406 HydrophobicContact CG-CE2 4.18Å; Y900-Y1406 HydrophobicContact CD2-CD1 4.09Å; Y900-Y1406 HydrophobicContact CE1-CD1 4.34Å; Y900-Y1406 AromaticContact CE2-CD1 3.5Å; Y900-Y1406 HydrophobicContact CE2-CD1 3.5Å; Y900-Y1406 HydrophobicContact CE2-CE1 4.14Å; Y900-Y1406 AromaticContact CZ-CD1 3.63Å; Y900-Y1406 AromaticContact CZ-CE1 3.94Å; H1402-Y1406 VanDerWaalsContact O-CD2 3.23Å; H1402-Y1406 WeakPolarHBondContact O-CD2 3.21Å; H1402-Y1406 WeakPolarHBondContact O-CE2 3.4Å; T1403-Y1406 PolarHBondContact O-N 3.1Å; L1404-Y1406 PolarHBondContact O-N 2.91Å; L1404-Y1406 VanDerWaalsContact O-N 3.08Å; Y1406-K1408 PolarHBondContact O-N 3.24Å
1407D93.1Very high90.5Very high3 Ų345.4 Ų45.42%0.01622%0.215CC..  trans-8278.9179.5-169.330.7000110.3L813 R817 Q896 L1404 R1413 H1434L813-D1407 HydrophobicContact CD1-CB 3.69Å; L813-D1407 HydrophobicContact CD2-CB 3.84Å; L813-D1407 HydrophobicContact CG-CB 4.35Å; R817-D1407 IonicContact CZ-OD2 3.3Å; R817-D1407 IonicContact NE-OD2 3.9Å; R817-D1407 IonicContact NH2-OD2 2.65Å; R817-D1407 PolarHBondContact NH2-OD2 2.74Å; Q896-D1407 PolarHBondContact NE2-OD1 3.5Å; Q896-D1407 VanDerWaalsContact NE2-OD1 3.07Å; Q896-D1407 PolarHBondContact OE1-OD1 3.21Å; L1404-D1407 WeakPolarHBondContact O-CB 3.07Å; L1404-D1407 PolarHBondContact O-N 3.42Å; D1407-R1413 IonicContact OD1-CZ 2.9Å; D1407-R1413 IonicContact OD1-NH1 3.03Å; D1407-R1413 PolarHBondContact OD1-NH1 3.07Å; D1407-H1434 IonicContact OD2-CD2 2.82Å; D1407-H1434 IonicContact OD2-CE1 2.64Å; D1407-H1434 IonicContact OD2-NE2 2.74Å; D1407-H1434 PolarHBondContact OD2-NE2 2.87Å
1408K93.6Very high90.7Very high62 Ų6244.7 Ų44.727%0.2721%0.213SC..  trans-92.5157.3176.2-55.9-57.6-173.7172.40111.5W899 Y900 D903 D916 A1405 Y1406 W1410 R1413W899-K1408 HydrophobicContact CB-CB 4.14Å; W899-K1408 VanDerWaalsContact CB-O 3.3Å; W899-K1408 WeakPolarHBondContact CB-O 3.47Å; Y900-K1408 HydrophobicContact CD2-CG 4.17Å; D903-K1408 HydrophobicContact CB-CB 4.23Å; D903-K1408 HydrophobicContact CB-CD 4.4Å; D903-K1408 HydrophobicContact CB-CG 4.05Å; D903-K1408 VanDerWaalsContact OD2-CD 3.31Å; D903-K1408 WeakPolarHBondContact OD2-CD 3.29Å; D903-K1408 WeakPolarHBondContact OD2-CE 3.26Å; D903-K1408 IonicContact OD2-NZ 3.88Å; D903-K1408 PolarHBondContact OD2-NZ 3.48Å; D916-K1408 WeakPolarHBondContact OD2-CA 3.39Å; A1405-K1408 WeakPolarHBondContact O-CE 3.47Å; Y1406-K1408 PolarHBondContact O-N 3.24Å; K1408-W1410 PolarHBondContact O-N 3.15Å; K1408-R1413 PolarHBondContact O-NH2 2.72Å
1409G91.1Very high91.1Very high3 Ų343.7 Ų43.73%0.03121%0.207CC..SBendtrans65.321.4-175.600000113.4D916 R1411 V1412 R1413D916-G1409 WeakPolarHBondContact OD2-CA 3.34Å; D916-G1409 PolarHBondContact OD2-N 3.39Å; G1409-R1411 VanDerWaalsContact C-N 3.35Å; G1409-R1411 PolarHBondContact O-N 3.14Å; G1409-V1412 WeakPolarHBondContact O-CG1 3.29Å; G1409-R1413 WeakPolarHBondContact O-CB 3.4Å; G1409-R1413 PolarHBondContact O-N 2.83Å; G1409-R1413 VanDerWaalsContact O-N 3.1Å
1410W93.8Very high91.4Very high9 Ų935.4 Ų35.43%0.03417%0.172CC..Hα-helixtrans-70.6-32.1-17169.3-96.8000112D916 K1408 R1413 T1414 H1431 H1434 D1435D916-W1410 PolarHBondContact OD1-N 2.81Å; D916-W1410 VanDerWaalsContact OD1-N 3.1Å; D916-W1410 PolarHBondContact OD2-N 2.92Å; K1408-W1410 PolarHBondContact O-N 3.15Å; W1410-R1413 WeakPolarHBondContact O-CB 3.15Å; W1410-R1413 PolarHBondContact O-N 2.87Å; W1410-T1414 WeakPolarHBondContact O-CG2 3.38Å; W1410-T1414 PolarHBondContact O-N 3.05Å; W1410-T1414 PolarHBondContact O-OG1 2.89Å; W1410-H1431 HydrophobicContact CD2-CB 4.44Å; W1410-H1431 HydrophobicContact CE3-CB 3.57Å; W1410-H1431 HydrophobicContact CH2-CB 3.83Å; W1410-H1431 HydrophobicContact CZ3-CB 3.23Å; W1410-H1434 AromaticContact CD1-CD2 3.63Å; W1410-H1434 AromaticContact CD1-NE2 3.62Å; W1410-H1434 HydrophobicContact CD2-CB 4.43Å; W1410-H1434 AromaticContact CD2-CD2 3.39Å; W1410-H1434 AromaticContact CE2-CD2 3.49Å; W1410-H1434 VanDerWaalsContact CE2-CD2 3.49Å; W1410-H1434 AromaticContact CE2-CG 3.68Å; W1410-H1434 AromaticContact CE3-CD2 4Å; W1410-H1434 AromaticContact CG-CD2 3.48Å; W1410-H1434 VanDerWaalsContact CG-CD2 3.48Å; W1410-H1434 AromaticContact CG-NE2 3.6Å; W1410-H1434 HydrophobicContact CH2-CB 4.11Å; W1410-H1434 HydrophobicContact CZ2-CB 3.51Å; W1410-H1434 AromaticContact NE1-CD2 3.61Å; W1410-H1434 AromaticContact NE1-CG 3.68Å; W1410-D1435 WeakPolarHBondContact CH2-OD2 3.43Å
1411R93.9Very high91.5Very high1 Ų133.2 Ų33.20%0.00416%0.161CC..Hα-helixtrans-74-41.3-177.5-172170.7-80.7111.80112.3P914 A915 D916 E918 G1409 R1413 T1414 E1415 W1429 D1435P914-R1411 HydrophobicContact CB-CG 3.98Å; A915-R1411 PolarHBondContact O-NH1 2.86Å; D916-R1411 VanDerWaalsContact CA-NH1 3.29Å; D916-R1411 PolarHBondContact O-NH1 3.29Å; D916-R1411 PolarHBondContact OD1-N 3.23Å; D916-R1411 VanDerWaalsContact OD1-N 3.09Å; E918-R1411 PolarHBondContact O-NH1 3.22Å; G1409-R1411 VanDerWaalsContact C-N 3.35Å; G1409-R1411 PolarHBondContact O-N 3.14Å; R1411-R1413 VanDerWaalsContact C-N 3.31Å; R1411-T1414 PolarHBondContact O-N 3.31Å; R1411-T1414 PolarHBondContact O-OG1 2.92Å; R1411-E1415 PolarHBondContact O-N 3.47Å; R1411-W1429 PolarHBondContact NE-O 3.41Å; R1411-W1429 VanDerWaalsContact NE-O 3.14Å; R1411-D1435 IonicContact NH2-OD1 2.69Å; R1411-D1435 PolarHBondContact NH2-OD1 2.85Å; R1411-D1435 IonicContact NH2-OD2 2.84Å; R1411-D1435 PolarHBondContact NH2-OD2 3.41Å; R1411-D1435 VanDerWaalsContact NH2-OD2 3.09Å
1412V93Very high91.4Very high1 Ų131.2 Ų31.21%0.00616%0.158CC..Hα-helixtrans-66.9-35.4172.164.40000111.1W899 P914 Q1014 G1409 T1414 E1415 F1416W899-V1412 HydrophobicContact CH2-CG1 3.73Å; W899-V1412 HydrophobicContact CZ2-CG1 3.41Å; W899-V1412 VanDerWaalsContact CZ2-CG1 3.41Å; W899-V1412 HydrophobicContact CZ3-CG1 4.45Å; P914-V1412 HydrophobicContact CG-CB 3.98Å; P914-V1412 HydrophobicContact CG-CG2 4.39Å; Q1014-V1412 HydrophobicContact CG-CG2 4.24Å; G1409-V1412 WeakPolarHBondContact O-CG1 3.29Å; V1412-T1414 PolarHBondContact O-N 2.86Å; V1412-E1415 PolarHBondContact O-N 3.08Å; V1412-F1416 HydrophobicContact CG2-CD2 4.06Å; V1412-F1416 HydrophobicContact CG2-CE2 4.14Å; V1412-F1416 WeakPolarHBondContact O-CD2 3.48Å; V1412-F1416 PolarHBondContact O-N 3.14Å
1413R93Very high91.3Very high5 Ų531.2 Ų31.22%0.01916%0.157CC..Hα-helixtrans-60.8-45.4174.1-168.8-172.6-61.21270111.4D895 D1407 K1408 G1409 W1410 R1411 E1415 F1416 K1417D895-R1413 IonicContact OD2-CZ 2.91Å; D895-R1413 IonicContact OD2-NE 2.63Å; D895-R1413 PolarHBondContact OD2-NE 3.16Å; D895-R1413 IonicContact OD2-NH2 2.61Å; D895-R1413 PolarHBondContact OD2-NH2 3.33Å; D1407-R1413 IonicContact OD1-CZ 2.9Å; D1407-R1413 IonicContact OD1-NH1 3.03Å; D1407-R1413 PolarHBondContact OD1-NH1 3.07Å; K1408-R1413 PolarHBondContact O-NH2 2.72Å; G1409-R1413 WeakPolarHBondContact O-CB 3.4Å; G1409-R1413 PolarHBondContact O-N 2.83Å; G1409-R1413 VanDerWaalsContact O-N 3.1Å; W1410-R1413 WeakPolarHBondContact O-CB 3.15Å; W1410-R1413 PolarHBondContact O-N 2.87Å; R1411-R1413 VanDerWaalsContact C-N 3.31Å; R1413-E1415 VanDerWaalsContact C-N 3.29Å; R1413-E1415 PolarHBondContact O-N 3.46Å; R1413-F1416 PolarHBondContact O-N 3.04Å; R1413-K1417 WeakPolarHBondContact O-CG 3.47Å; R1413-K1417 PolarHBondContact O-N 2.93Å
1414T92.1Very high91Very high18 Ų1832.8 Ų32.811%0.1116%0.163CC..Hα-helixtrans-64.9-32.4178.449.70000113W1410 R1411 V1412 W1428W1410-T1414 WeakPolarHBondContact O-CG2 3.38Å; W1410-T1414 PolarHBondContact O-N 3.05Å; W1410-T1414 PolarHBondContact O-OG1 2.89Å; R1411-T1414 PolarHBondContact O-N 3.31Å; R1411-T1414 PolarHBondContact O-OG1 2.92Å; V1412-T1414 PolarHBondContact O-N 2.86Å; T1414-W1428 WeakPolarHBondContact CB-O 3.21Å; T1414-W1428 PolarHBondContact OG1-O 3.23Å
1415E90.4Very high90.8Very high31 Ų3135.6 Ų35.615%0.14518%0.178CC..Hα-helixtrans-67.9-43.2172.3-174.5170.2-17000112P914 Y1063 V1064 R1411 V1412 R1413 K1417 Q1418 W1428P914-E1415 WeakPolarHBondContact CG-OE2 3.43Å; Y1063-E1415 WeakPolarHBondContact CE1-OE1 3.43Å; Y1063-E1415 WeakPolarHBondContact CE1-OE2 3.49Å; V1064-E1415 WeakPolarHBondContact CG2-OE2 3.48Å; R1411-E1415 PolarHBondContact O-N 3.47Å; V1412-E1415 PolarHBondContact O-N 3.08Å; R1413-E1415 VanDerWaalsContact C-N 3.29Å; R1413-E1415 PolarHBondContact O-N 3.46Å; E1415-K1417 VanDerWaalsContact C-N 3.27Å; E1415-K1417 PolarHBondContact O-N 3.2Å; E1415-Q1418 WeakPolarHBondContact O-CG 3.09Å; E1415-Q1418 PolarHBondContact O-NE2 2.79Å; E1415-W1428 HydrophobicContact CB-CE3 4.46Å; E1415-W1428 HydrophobicContact CG-CE3 4.32Å
1416F93.2Very high90.9Very high3 Ų334.1 Ų34.11%0.01316%0.163CC..Hα-helixtrans-74.1-14.5-179.7-87.8-126000113.8Y957 T1013 V1064 V1412 R1413 Q1418 Y1419Y957-F1416 HydrophobicContact CE1-CZ 4.4Å; T1013-F1416 HydrophobicContact CG2-CZ 4.03Å; V1064-F1416 HydrophobicContact CG1-CE2 3.8Å; V1064-F1416 HydrophobicContact CG1-CZ 4.01Å; V1064-F1416 HydrophobicContact CG2-CE2 4.43Å; V1412-F1416 HydrophobicContact CG2-CD2 4.06Å; V1412-F1416 HydrophobicContact CG2-CE2 4.14Å; V1412-F1416 WeakPolarHBondContact O-CD2 3.48Å; V1412-F1416 PolarHBondContact O-N 3.14Å; R1413-F1416 PolarHBondContact O-N 3.04Å; F1416-Q1418 PolarHBondContact O-N 2.91Å; F1416-Y1419 HydrophobicContact CB-CD2 4.48Å; F1416-Y1419 HydrophobicContact CD1-CD2 4.28Å; F1416-Y1419 HydrophobicContact CD1-CE2 4.49Å; F1416-Y1419 HydrophobicContact CG-CD2 4.35Å; F1416-Y1419 HydrophobicContact CG-CE2 4.48Å; F1416-Y1419 WeakPolarHBondContact O-CD2 3.45Å; F1416-Y1419 PolarHBondContact O-N 3.1Å
1417K91.7Very high90.9Very high32 Ų3233.4 Ų33.414%0.13916%0.161CC..G310 helixtrans-55.9-22.2173.9-76.3-71.7166.3-163.30113.4R1413 E1415 Y1419 Q1420 V1421R1413-K1417 WeakPolarHBondContact O-CG 3.47Å; R1413-K1417 PolarHBondContact O-N 2.93Å; E1415-K1417 VanDerWaalsContact C-N 3.27Å; E1415-K1417 PolarHBondContact O-N 3.2Å; K1417-Y1419 PolarHBondContact O-N 3.29Å; K1417-Q1420 VanDerWaalsContact CD-OE1 3.32Å; K1417-Q1420 PolarHBondContact O-N 3.35Å; K1417-Q1420 VanDerWaalsContact O-N 3.09Å; K1417-V1421 HydrophobicContact CD-CG2 4.29Å; K1417-V1421 PolarHBondContact O-N 3.37Å
1418Q91.3Very high90.8Very high72 Ų7236.1 Ų36.134%0.33617%0.171SC..G310 helixtrans-60.1-25.7174.970.3-174.9-41.900114V878 E1415 F1416V878-Q1418 HydrophobicContact CG1-CG 4.34Å; E1415-Q1418 WeakPolarHBondContact O-CG 3.09Å; E1415-Q1418 PolarHBondContact O-NE2 2.79Å; F1416-Q1418 PolarHBondContact O-N 2.91Å
1419Y94.3Very high90.8Very high27 Ų2733.1 Ų33.111%0.10616%0.159CC..G310 helixtrans-90.4-7.6178.1-54.2-64.4000113.5V878 P879 V880 Y881 R1004 F1416 K1417V878-Y1419 HydrophobicContact CG1-CD1 3.7Å; V878-Y1419 HydrophobicContact CG1-CE1 3.79Å; P879-Y1419 HydrophobicContact CG-CD1 4.31Å; P879-Y1419 WeakPolarHBondContact O-CA 3.36Å; P879-Y1419 WeakPolarHBondContact O-CD1 3.38Å; V880-Y1419 CarbonylContact C-O 3.57Å; V880-Y1419 VanDerWaalsContact CA-O 3.31Å; V880-Y1419 WeakPolarHBondContact CA-O 3.46Å; Y881-Y1419 PolarHBondContact N-O 2.68Å; R1004-Y1419 HydrophobicContact CB-CD1 4.07Å; R1004-Y1419 HydrophobicContact CB-CD2 3.89Å; R1004-Y1419 HydrophobicContact CB-CE2 4.4Å; R1004-Y1419 HydrophobicContact CB-CG 3.71Å; R1004-Y1419 WeakPolarHBondContact O-CB 3.19Å; F1416-Y1419 HydrophobicContact CB-CD2 4.48Å; F1416-Y1419 HydrophobicContact CD1-CD2 4.28Å; F1416-Y1419 HydrophobicContact CD1-CE2 4.49Å; F1416-Y1419 HydrophobicContact CG-CD2 4.35Å; F1416-Y1419 HydrophobicContact CG-CE2 4.48Å; F1416-Y1419 WeakPolarHBondContact O-CD2 3.45Å; F1416-Y1419 PolarHBondContact O-N 3.1Å; K1417-Y1419 PolarHBondContact O-N 3.29Å
1420Q91.5Very high90.9Very high27 Ų2733.4 Ų33.413%0.12616%0.16CC..THydrogen-bonded Turntrans-110.8-33.5-177-54.8179.5-0.400111.1G1005 L1006 Q1007 K1417G1005-Q1420 WeakPolarHBondContact O-CG 3.29Å; L1006-Q1420 PolarHBondContact O-NE2 2.67Å; Q1007-Q1420 VanDerWaalsContact OE1-OE1 3.08Å; K1417-Q1420 VanDerWaalsContact CD-OE1 3.32Å; K1417-Q1420 PolarHBondContact O-N 3.35Å; K1417-Q1420 VanDerWaalsContact O-N 3.09Å
1421V88.2Confident90.7Very high31 Ų3134.2 Ų34.219%0.18816%0.164CC..  trans-122.6120-172-175.20000110.2K1417 K1423K1417-V1421 HydrophobicContact CD-CG2 4.29Å; K1417-V1421 PolarHBondContact O-N 3.37Å; V1421-K1423 HydrophobicContact CG1-CB 4.06Å; V1421-K1423 PolarHBondContact O-N 2.89Å
1422L86Confident90.6Very high70 Ų7039.5 Ų39.537%0.36619%0.189SC..SBendtrans-59.3-22.2178.5-16970.2000114M871 V880 Q1424M871-L1422 HydrophobicContact CB-CD1 4.05Å; M871-L1422 HydrophobicContact SD-CD1 4.33Å; M871-L1422 VanDerWaalsContact SD-O 3.34Å; V880-L1422 HydrophobicContact CG2-CD1 4.13Å; L1422-Q1424 PolarHBondContact O-N 3.37Å
1423K84.4Confident90.5Very high119 Ų11942.8 Ų42.852%0.51720%0.201SC..SBendtrans-84.4113.8177.9-178.4-165.9170.6-159.80109.6V1421 N1425V1421-K1423 HydrophobicContact CG1-CB 4.06Å; V1421-K1423 PolarHBondContact O-N 2.89Å; K1423-N1425 PolarHBondContact O-N 3.49Å
1424Q84.6Confident90.4Very high48 Ų4844 Ų4422%0.22421%0.207CC..  trans-62.5128.8171.1-169.3-176.711.900112M871 R1217 L1422M871-Q1424 HydrophobicContact CE-CB 4.14Å; R1217-Q1424 VanDerWaalsContact CD-OE1 3.31Å; L1422-Q1424 PolarHBondContact O-N 3.37Å
1425N86.9Confident90.4Very high72 Ų7243.3 Ų43.339%0.38520%0.202SC..  trans-92.9121.1172.4-176.614.8000110.3K1423 F1427K1423-N1425 PolarHBondContact O-N 3.49Å; N1425-F1427 VanDerWaalsContact C-N 3.31Å; N1425-F1427 VanDerWaalsContact ND2-C 3.34Å; N1425-F1427 PolarHBondContact ND2-O 3.13Å; N1425-F1427 PolarHBondContact OD1-N 3.38Å
1426P89.6Confident90.4Very high28 Ų2842 Ų4218%0.18220%0.196CC..SBendtrans-74.3-20.7173.327.8-30.3000113.4T1239T1239-P1426 HydrophobicContact CG2-CG 3.68Å
1427F93Very high90.3Very high39 Ų3946.5 Ų46.517%0.17122%0.216CC..  trans-103.849.7178.1-53.4-71.4000110.4T1239 I1242 N1425 W1429 T1430 W1439T1239-F1427 HydrophobicContact CG2-CE2 3.79Å; T1239-F1427 HydrophobicContact CG2-CZ 4.46Å; I1242-F1427 HydrophobicContact CB-CZ 4.28Å; I1242-F1427 HydrophobicContact CG2-CE1 3.97Å; I1242-F1427 HydrophobicContact CG2-CZ 3.82Å; N1425-F1427 VanDerWaalsContact C-N 3.31Å; N1425-F1427 VanDerWaalsContact ND2-C 3.34Å; N1425-F1427 PolarHBondContact ND2-O 3.13Å; N1425-F1427 PolarHBondContact OD1-N 3.38Å; F1427-W1429 PolarHBondContact O-N 3.36Å; F1427-T1430 HydrophobicContact CB-CG2 4.2Å; F1427-T1430 VanDerWaalsContact O-O 3.13Å; F1427-W1439 AromaticContact CD1-CH2 3.57Å; F1427-W1439 HydrophobicContact CD1-CH2 3.57Å; F1427-W1439 HydrophobicContact CD1-CZ2 4.32Å; F1427-W1439 HydrophobicContact CD1-CZ3 4.11Å; F1427-W1439 AromaticContact CE1-CH2 3.41Å; F1427-W1439 HydrophobicContact CE1-CH2 3.41Å; F1427-W1439 VanDerWaalsContact CE1-CH2 3.41Å; F1427-W1439 AromaticContact CE1-CZ2 3.75Å; F1427-W1439 HydrophobicContact CE1-CZ2 3.75Å; F1427-W1439 HydrophobicContact CE1-CZ3 4.05Å; F1427-W1439 HydrophobicContact CG-CH2 4.22Å; F1427-W1439 AromaticContact CZ-CH2 3.97Å; F1427-W1439 HydrophobicContact CZ-CH2 3.97Å; F1427-W1439 AromaticContact CZ-CZ2 3.88Å; F1427-W1439 HydrophobicContact CZ-CZ2 3.88Å
1428W92.3Very high90.3Very high60 Ų6045.1 Ų45.123%0.22721%0.21CC..  trans-72.4-18.1179.458-87.7000112.5Y1063 Y1247 T1414 E1415Y1063-W1428 VanDerWaalsContact OH-CZ3 3.27Å; Y1063-W1428 WeakPolarHBondContact OH-CZ3 3.32Å; Y1247-W1428 HydrophobicContact CE2-CZ2 4.44Å; T1414-W1428 WeakPolarHBondContact CB-O 3.21Å; T1414-W1428 PolarHBondContact OG1-O 3.23Å; E1415-W1428 HydrophobicContact CB-CE3 4.46Å; E1415-W1428 HydrophobicContact CG-CE3 4.32Å
1429W93.2Very high90.3Very high0 Ų043.2 Ų43.20%020%0.2CC..SBendtrans-91.4-13.5-174.261.4-93.7000114.7P919 P920 Y1247 W1349 R1411 F1427 L1438P919-W1429 HydrophobicContact CB-CE3 4.26Å; P919-W1429 HydrophobicContact CB-CZ3 4.36Å; P920-W1429 HydrophobicContact CG-CB 3.92Å; Y1247-W1429 HydrophobicContact CD2-CB 4.14Å; Y1247-W1429 AromaticContact CD2-CD1 3.45Å; Y1247-W1429 VanDerWaalsContact CD2-CD1 3.45Å; Y1247-W1429 AromaticContact CD2-CD2 3.58Å; Y1247-W1429 HydrophobicContact CD2-CD2 3.58Å; Y1247-W1429 AromaticContact CD2-CE2 3.66Å; Y1247-W1429 HydrophobicContact CD2-CE3 4.24Å; Y1247-W1429 AromaticContact CD2-CG 3.49Å; Y1247-W1429 HydrophobicContact CD2-CG 3.49Å; Y1247-W1429 VanDerWaalsContact CD2-CG 3.49Å; Y1247-W1429 HydrophobicContact CD2-CZ2 4.39Å; Y1247-W1429 AromaticContact CD2-NE1 3.56Å; Y1247-W1429 HydrophobicContact CE2-CB 3.82Å; Y1247-W1429 AromaticContact CE2-CD1 3.96Å; Y1247-W1429 HydrophobicContact CE2-CD2 4.1Å; Y1247-W1429 AromaticContact CE2-CG 3.71Å; Y1247-W1429 HydrophobicContact CE2-CG 3.71Å; W1349-W1429 AromaticContact CH2-CH2 3.83Å; W1349-W1429 HydrophobicContact CH2-CH2 3.83Å; W1349-W1429 AromaticContact CH2-CZ3 3.77Å; W1349-W1429 HydrophobicContact CH2-CZ3 3.77Å; W1349-W1429 AromaticContact CZ2-CH2 3.97Å; W1349-W1429 HydrophobicContact CZ2-CH2 3.97Å; W1349-W1429 HydrophobicContact CZ2-CZ3 4.1Å; R1411-W1429 PolarHBondContact NE-O 3.41Å; R1411-W1429 VanDerWaalsContact NE-O 3.14Å; F1427-W1429 PolarHBondContact O-N 3.36Å; W1429-L1438 HydrophobicContact CH2-CD1 3.7Å; W1429-L1438 HydrophobicContact CZ3-CD1 3.5Å; W1429-L1438 VanDerWaalsContact CZ3-CD1 3.5Å
1430T92.4Very high90Very high9 Ų945.4 Ų45.46%0.05521%0.214CC..  trans-139.9153.4-176.1-176.30000111.9F1427 D1435 W1439F1427-T1430 HydrophobicContact CB-CG2 4.2Å; F1427-T1430 VanDerWaalsContact O-O 3.13Å; T1430-D1435 VanDerWaalsContact CA-OD2 3.31Å; T1430-D1435 WeakPolarHBondContact CA-OD2 3.31Å; T1430-D1435 WeakPolarHBondContact CB-OD2 3.12Å; T1430-D1435 WeakPolarHBondContact OG1-CB 3.49Å; T1430-D1435 PolarHBondContact OG1-OD2 3Å; T1430-W1439 HydrophobicContact CG2-CZ3 4.43Å
1431H90.7Very high90Very high26 Ų2645.3 Ų45.312%0.1221%0.214CC..  trans-132.8122.7173.1-171.6-103.2000110.5R817 E820 W1410 R1433 H1434 D1435R817-H1431 PolarHBondContact NH1-CD2 3.42Å; R817-H1431 VanDerWaalsContact NH1-CD2 3.32Å; R817-H1431 PolarHBondContact NH1-CE1 3.04Å; R817-H1431 PolarHBondContact NH1-NE2 3.34Å; R817-H1431 PolarHBondContact NH2-CE1 3.19Å; R817-H1431 PolarHBondContact NH2-NE2 2.98Å; E820-H1431 IonicContact OE1-NE2 2.82Å; W1410-H1431 HydrophobicContact CD2-CB 4.44Å; W1410-H1431 HydrophobicContact CE3-CB 3.57Å; W1410-H1431 HydrophobicContact CH2-CB 3.83Å; W1410-H1431 HydrophobicContact CZ3-CB 3.23Å; H1431-R1433 VanDerWaalsContact CE1-CB 3.42Å; H1431-R1433 WeakPolarHBondContact CE1-CB 3.42Å; H1431-R1433 WeakPolarHBondContact CE1-CG 3.48Å; H1431-R1433 WeakPolarHBondContact ND1-CB 3.48Å; H1431-R1433 PolarHBondContact ND1-N 2.94Å; H1431-R1433 PolarHBondContact O-N 3.4Å; H1431-R1433 VanDerWaalsContact O-N 3.08Å; H1431-H1434 AromaticContact ND1-CD2 3.46Å; H1431-H1434 PolarHBondContact ND1-CD2 3.1Å; H1431-H1434 PolarHBondContact O-N 2.84Å; H1431-D1435 PolarHBondContact N-OD2 2.78Å; H1431-D1435 PolarHBondContact O-N 3.38Å
1432Q91Very high90.2Very high112 Ų11247.4 Ų47.452%0.52322%0.224SC..THydrogen-bonded Turntrans-61.7-24.1-172.7-69.5179.9-7.900114H1434 G1436Q1432-H1434 VanDerWaalsContact C-N 3.34Å; Q1432-G1436 VanDerWaalsContact O-CA 3.23Å; Q1432-G1436 WeakPolarHBondContact O-CA 3.28Å; Q1432-G1436 PolarHBondContact O-N 3.31Å
1433R90.6Very high90.4Very high69 Ų6949.1 Ų49.126%0.2623%0.234SC..THydrogen-bonded Turntrans-74.7-24.2175.2-55.2-171.5-178.4173.7-19112.9E816 Q1398 L1404 H1431E816-R1433 IonicContact OE1-CZ 3.84Å; E816-R1433 IonicContact OE1-NH1 3.06Å; E816-R1433 PolarHBondContact OE1-NH1 3.16Å; E816-R1433 IonicContact OE1-NH2 3.34Å; E816-R1433 PolarHBondContact OE1-NH2 3.46Å; E816-R1433 IonicContact OE2-CZ 3.44Å; E816-R1433 IonicContact OE2-NH1 3.38Å; E816-R1433 PolarHBondContact OE2-NH1 3.07Å; E816-R1433 IonicContact OE2-NH2 3.61Å; Q1398-R1433 VanDerWaalsContact CD-O 3.3Å; Q1398-R1433 PolarHBondContact NE2-O 2.93Å; Q1398-R1433 PolarHBondContact OE1-O 3.37Å; L1404-R1433 HydrophobicContact CD1-CB 3.8Å; L1404-R1433 HydrophobicContact CD2-CB 4.16Å; H1431-R1433 VanDerWaalsContact CE1-CB 3.42Å; H1431-R1433 WeakPolarHBondContact CE1-CB 3.42Å; H1431-R1433 WeakPolarHBondContact CE1-CG 3.48Å; H1431-R1433 WeakPolarHBondContact ND1-CB 3.48Å; H1431-R1433 PolarHBondContact ND1-N 2.94Å; H1431-R1433 PolarHBondContact O-N 3.4Å; H1431-R1433 VanDerWaalsContact O-N 3.08Å
1434H91.6Very high90.8Very high32 Ų3243.9 Ų43.915%0.14821%0.211CC..THydrogen-bonded Turntrans-103-55.9-177.4-66.5-61.2000111.9D1407 W1410 H1431 Q1432D1407-H1434 IonicContact OD2-CD2 2.82Å; D1407-H1434 IonicContact OD2-CE1 2.64Å; D1407-H1434 IonicContact OD2-NE2 2.74Å; D1407-H1434 PolarHBondContact OD2-NE2 2.87Å; W1410-H1434 AromaticContact CD1-CD2 3.63Å; W1410-H1434 AromaticContact CD1-NE2 3.62Å; W1410-H1434 HydrophobicContact CD2-CB 4.43Å; W1410-H1434 AromaticContact CD2-CD2 3.39Å; W1410-H1434 AromaticContact CE2-CD2 3.49Å; W1410-H1434 VanDerWaalsContact CE2-CD2 3.49Å; W1410-H1434 AromaticContact CE2-CG 3.68Å; W1410-H1434 AromaticContact CE3-CD2 4Å; W1410-H1434 AromaticContact CG-CD2 3.48Å; W1410-H1434 VanDerWaalsContact CG-CD2 3.48Å; W1410-H1434 AromaticContact CG-NE2 3.6Å; W1410-H1434 HydrophobicContact CH2-CB 4.11Å; W1410-H1434 HydrophobicContact CZ2-CB 3.51Å; W1410-H1434 AromaticContact NE1-CD2 3.61Å; W1410-H1434 AromaticContact NE1-CG 3.68Å; H1431-H1434 AromaticContact ND1-CD2 3.46Å; H1431-H1434 PolarHBondContact ND1-CD2 3.1Å; H1431-H1434 PolarHBondContact O-N 2.84Å; Q1432-H1434 VanDerWaalsContact C-N 3.34Å
1435D92.1Very high91.2Very high3 Ų346.8 Ų46.82%0.01622%0.22CC..THydrogen-bonded Turntrans-82.2-17.4-177.9-61.2-34.2000112.6R1392 W1410 R1411 T1430 H1431 L1438R1392-D1435 VanDerWaalsContact CG-O 3.29Å; R1392-D1435 WeakPolarHBondContact CG-O 3.42Å; R1392-D1435 PolarHBondContact N-O 3.21Å; R1392-D1435 VanDerWaalsContact N-O 3.08Å; W1410-D1435 WeakPolarHBondContact CH2-OD2 3.43Å; R1411-D1435 IonicContact NH2-OD1 2.69Å; R1411-D1435 PolarHBondContact NH2-OD1 2.85Å; R1411-D1435 IonicContact NH2-OD2 2.84Å; R1411-D1435 PolarHBondContact NH2-OD2 3.41Å; R1411-D1435 VanDerWaalsContact NH2-OD2 3.09Å; T1430-D1435 VanDerWaalsContact CA-OD2 3.31Å; T1430-D1435 WeakPolarHBondContact CA-OD2 3.31Å; T1430-D1435 WeakPolarHBondContact CB-OD2 3.12Å; T1430-D1435 WeakPolarHBondContact OG1-CB 3.49Å; T1430-D1435 PolarHBondContact OG1-OD2 3Å; H1431-D1435 PolarHBondContact N-OD2 2.78Å; H1431-D1435 PolarHBondContact O-N 3.38Å; D1435-L1438 HydrophobicContact CB-CD1 4.23Å; D1435-L1438 HydrophobicContact CB-CD2 4.4Å; D1435-L1438 HydrophobicContact CB-CG 4.39Å
1436G89.7Confident91.3Very high2 Ų247 Ų472%0.02122%0.223CC..  trans77.7-170.7-165.700000112.7Q1432 L1438Q1432-G1436 VanDerWaalsContact O-CA 3.23Å; Q1432-G1436 WeakPolarHBondContact O-CA 3.28Å; Q1432-G1436 PolarHBondContact O-N 3.31Å; G1436-L1438 PolarHBondContact O-N 3.07Å
1437K90.6Very high91.5Very high99 Ų9948.6 Ų48.643%0.4323%0.231SC..  trans-91104.3177.5-167.5-170.3177.1-1670109.9W1439K1437-W1439 WeakPolarHBondContact CD-O 3.26Å; K1437-W1439 WeakPolarHBondContact CE-O 3.41Å; K1437-W1439 WeakPolarHBondContact CG-O 3.42Å; K1437-W1439 PolarHBondContact O-N 2.93Å; K1437-W1439 VanDerWaalsContact O-N 3.09Å
1438L91.8Very high91.4Very high3 Ų346.8 Ų46.82%0.01622%0.223CC..  trans-76.910.2-174.4-57.1176.9000115R1249 W1349 I1390 R1392 W1429 D1435 G1436R1249-L1438 PolarHBondContact NH2-O 2.94Å; W1349-L1438 HydrophobicContact CH2-CD1 4.24Å; I1390-L1438 HydrophobicContact CG1-CD2 4.25Å; R1392-L1438 HydrophobicContact CG-CD2 4.15Å; W1429-L1438 HydrophobicContact CH2-CD1 3.7Å; W1429-L1438 HydrophobicContact CZ3-CD1 3.5Å; W1429-L1438 VanDerWaalsContact CZ3-CD1 3.5Å; D1435-L1438 HydrophobicContact CB-CD1 4.23Å; D1435-L1438 HydrophobicContact CB-CD2 4.4Å; D1435-L1438 HydrophobicContact CB-CG 4.39Å; G1436-L1438 PolarHBondContact O-N 3.07Å
1439W91.3Very high91.4Very high31 Ų3145.4 Ų45.412%0.11722%0.22CC..  trans-152.4147.1178.662.989.6000112.2I1242 T1246 F1427 T1430 K1437I1242-W1439 HydrophobicContact CG2-CD2 4.41Å; I1242-W1439 HydrophobicContact CG2-CZ2 4.31Å; T1246-W1439 HydrophobicContact CG2-CB 3.87Å; T1246-W1439 HydrophobicContact CG2-CD2 3.87Å; T1246-W1439 HydrophobicContact CG2-CE3 3.97Å; T1246-W1439 HydrophobicContact CG2-CG 3.83Å; F1427-W1439 AromaticContact CD1-CH2 3.57Å; F1427-W1439 HydrophobicContact CD1-CH2 3.57Å; F1427-W1439 HydrophobicContact CD1-CZ2 4.32Å; F1427-W1439 HydrophobicContact CD1-CZ3 4.11Å; F1427-W1439 AromaticContact CE1-CH2 3.41Å; F1427-W1439 HydrophobicContact CE1-CH2 3.41Å; F1427-W1439 VanDerWaalsContact CE1-CH2 3.41Å; F1427-W1439 AromaticContact CE1-CZ2 3.75Å; F1427-W1439 HydrophobicContact CE1-CZ2 3.75Å; F1427-W1439 HydrophobicContact CE1-CZ3 4.05Å; F1427-W1439 HydrophobicContact CG-CH2 4.22Å; F1427-W1439 AromaticContact CZ-CH2 3.97Å; F1427-W1439 HydrophobicContact CZ-CH2 3.97Å; F1427-W1439 AromaticContact CZ-CZ2 3.88Å; F1427-W1439 HydrophobicContact CZ-CZ2 3.88Å; T1430-W1439 HydrophobicContact CG2-CZ3 4.43Å; K1437-W1439 WeakPolarHBondContact CD-O 3.26Å; K1437-W1439 WeakPolarHBondContact CE-O 3.41Å; K1437-W1439 WeakPolarHBondContact CG-O 3.42Å; K1437-W1439 PolarHBondContact O-N 2.93Å; K1437-W1439 VanDerWaalsContact O-N 3.09Å
1440N89.2Confident91.2Very high73 Ų7351.5 Ų51.539%0.3925%0.248SC..  trans-131124.5173.1-170.3-2.5000110.4N1442N1440-N1442 PolarHBondContact OD1-N 3.04Å; N1440-N1442 PolarHBondContact OD1-ND2 3.15Å
1441L91.3Very high90.9Very high25 Ų2552.4 Ų52.413%0.13126%0.256CS..  trans-121.520.1-174.1-58.7176.7000112I1242 L1302 L1342 I1346I1242-L1441 HydrophobicContact CD1-CD1 3.9Å; I1242-L1441 HydrophobicContact CG1-CD1 4.01Å; L1302-L1441 HydrophobicContact CD1-CD1 4.26Å; L1342-L1441 HydrophobicContact CD1-CD1 3.91Å; L1342-L1441 HydrophobicContact CD1-CD2 3.57Å; L1342-L1441 HydrophobicContact CD1-CG 4.37Å; I1346-L1441 HydrophobicContact CG1-CD2 4.33Å
1442N90.9Very high90.8Very high76 Ų7651.5 Ų51.541%0.40625%0.253SS..Hα-helixtrans-67-42.8177-73.1-24.4000110.9N1440 Y1444 R1445 T1446N1440-N1442 PolarHBondContact OD1-N 3.04Å; N1440-N1442 PolarHBondContact OD1-ND2 3.15Å; N1442-Y1444 VanDerWaalsContact C-N 3.32Å; N1442-Y1444 PolarHBondContact O-N 2.97Å; N1442-R1445 VanDerWaalsContact O-CB 3.28Å; N1442-R1445 WeakPolarHBondContact O-CB 3.35Å; N1442-R1445 PolarHBondContact O-N 2.86Å; N1442-R1445 PolarHBondContact OD1-NH2 2.74Å; N1442-T1446 PolarHBondContact O-N 2.88Å
1443N91.6Very high90.4Very high106 Ų10648.7 Ų48.757%0.56725%0.253SS*.Hα-helixtrans-60.2-41.1177.2-62.6-3.3000112Y1345 R1445 T1446 D1447Y1345-N1443 HydrophobicContact CD1-CB 3.92Å; Y1345-N1443 HydrophobicContact CE1-CB 3.92Å; N1443-R1445 PolarHBondContact O-N 2.86Å; N1443-R1445 VanDerWaalsContact O-N 3.16Å; N1443-T1446 PolarHBondContact O-N 2.91Å; N1443-T1446 VanDerWaalsContact O-N 3.08Å; N1443-D1447 PolarHBondContact O-N 3.46Å
1444Y92.5Very high90.4Very high8 Ų846 Ų463%0.03125%0.247CC..Hα-helixtrans-54-38.3173.8178.9-82.3000112.1L1302 S1303 P1340 L1342 Y1345 N1442 M1448L1302-Y1444 WeakPolarHBondContact CA-OH 3.39Å; L1302-Y1444 HydrophobicContact CD2-CD1 3.61Å; L1302-Y1444 HydrophobicContact CD2-CE1 3.25Å; S1303-Y1444 PolarHBondContact N-OH 3.29Å; P1340-Y1444 HydrophobicContact CB-CD2 4.43Å; P1340-Y1444 HydrophobicContact CB-CE2 4.29Å; P1340-Y1444 WeakPolarHBondContact O-CE2 3.42Å; L1342-Y1444 HydrophobicContact CD1-CD2 4.39Å; Y1345-Y1444 AromaticContact CD2-CD2 3.56Å; Y1345-Y1444 HydrophobicContact CD2-CD2 3.56Å; Y1345-Y1444 HydrophobicContact CD2-CG 4.28Å; Y1345-Y1444 AromaticContact CE2-CD2 3.62Å; Y1345-Y1444 HydrophobicContact CE2-CD2 3.62Å; Y1345-Y1444 HydrophobicContact CE2-CE2 4.48Å; Y1345-Y1444 HydrophobicContact CE2-CG 4.37Å; Y1345-Y1444 HydrophobicContact CG-CD2 4.26Å; N1442-Y1444 VanDerWaalsContact C-N 3.32Å; N1442-Y1444 PolarHBondContact O-N 2.97Å; Y1444-M1448 HydrophobicContact CE1-CB 4.49Å; Y1444-M1448 HydrophobicContact CE1-CE 3.69Å; Y1444-M1448 HydrophobicContact CE2-CE 4.1Å; Y1444-M1448 WeakPolarHBondContact O-CB 3.3Å; Y1444-M1448 PolarHBondContact O-N 2.88Å; Y1444-M1448 WeakPolarHBondContact OH-CE 3.48Å
1445R91.8Very high90.3Very high109 Ų10945.7 Ų45.741%0.41125%0.248SC..Hα-helixtrans-67.1-46.1178.5-170.3-168.8-53.6138.316.4111.1P1293 N1442 N1443 M1448 I1449P1293-R1445 HydrophobicContact CB-CG 3.98Å; P1293-R1445 HydrophobicContact CG-CG 3.56Å; N1442-R1445 VanDerWaalsContact O-CB 3.28Å; N1442-R1445 WeakPolarHBondContact O-CB 3.35Å; N1442-R1445 PolarHBondContact O-N 2.86Å; N1442-R1445 PolarHBondContact OD1-NH2 2.74Å; N1443-R1445 PolarHBondContact O-N 2.86Å; N1443-R1445 VanDerWaalsContact O-N 3.16Å; R1445-M1448 PolarHBondContact O-N 2.97Å; R1445-I1449 WeakPolarHBondContact O-CG1 3.49Å; R1445-I1449 PolarHBondContact O-N 2.88Å
1446T91Very high90.1Very high76 Ų7652.4 Ų52.447%0.46628%0.279SS..Hα-helixtrans-63.3-50.2-179.9-53.20000110.7N1442 N1443 M1448 I1449 Q1450N1442-T1446 PolarHBondContact O-N 2.88Å; N1443-T1446 PolarHBondContact O-N 2.91Å; N1443-T1446 VanDerWaalsContact O-N 3.08Å; T1446-M1448 VanDerWaalsContact C-N 3.29Å; T1446-M1448 PolarHBondContact O-N 2.84Å; T1446-I1449 WeakPolarHBondContact O-CB 3.36Å; T1446-I1449 PolarHBondContact O-N 2.83Å; T1446-Q1450 PolarHBondContact O-N 3.45Å; T1446-Q1450 VanDerWaalsContact O-N 3.09Å
1447D92.1Very high89.9Confident63 Ų6353.6 Ų53.634%0.33729%0.291SS..Hα-helixtrans-68-31.4-178.9-63.2-8000111.8P1340 Y1345 N1443 I1449 Q1450 A1451P1340-D1447 HydrophobicContact CG-CB 4.29Å; Y1345-D1447 WeakPolarHBondContact CE1-OD2 3.5Å; Y1345-D1447 VanDerWaalsContact CZ-OD2 3.28Å; Y1345-D1447 WeakPolarHBondContact OH-CB 3.42Å; Y1345-D1447 VanDerWaalsContact OH-CG 3.3Å; Y1345-D1447 PolarHBondContact OH-OD2 3.45Å; N1443-D1447 PolarHBondContact O-N 3.46Å; D1447-I1449 VanDerWaalsContact C-N 3.32Å; D1447-I1449 PolarHBondContact O-N 3.18Å; D1447-Q1450 PolarHBondContact O-N 3.15Å; D1447-A1451 VanDerWaalsContact O-CB 3.25Å; D1447-A1451 WeakPolarHBondContact O-CB 3.41Å; D1447-A1451 PolarHBondContact O-N 3.34Å
1448M91.9Very high90Very high1 Ų148.9 Ų48.91%0.00527%0.271CS..Hα-helixtrans-62.9-39.2171.1-175.561.16400111.7Y1291 I1339 P1340 Y1444 R1445 T1446 Q1450 L1452Y1291-M1448 VanDerWaalsContact CB-SD 3.55Å; Y1291-M1448 HydrophobicContact CD1-CE 4.45Å; Y1291-M1448 HydrophobicContact CG-CE 4.49Å; Y1291-M1448 HydrophobicContact CG-SD 4.32Å; I1339-M1448 HydrophobicContact CD1-SD 4.5Å; I1339-M1448 HydrophobicContact CG2-CE 3.72Å; I1339-M1448 HydrophobicContact CG2-SD 4.14Å; P1340-M1448 HydrophobicContact CB-CE 4.45Å; P1340-M1448 HydrophobicContact CG-CE 4.31Å; Y1444-M1448 HydrophobicContact CE1-CB 4.49Å; Y1444-M1448 HydrophobicContact CE1-CE 3.69Å; Y1444-M1448 HydrophobicContact CE2-CE 4.1Å; Y1444-M1448 WeakPolarHBondContact O-CB 3.3Å; Y1444-M1448 PolarHBondContact O-N 2.88Å; Y1444-M1448 WeakPolarHBondContact OH-CE 3.48Å; R1445-M1448 PolarHBondContact O-N 2.97Å; T1446-M1448 VanDerWaalsContact C-N 3.29Å; T1446-M1448 PolarHBondContact O-N 2.84Å; M1448-Q1450 VanDerWaalsContact C-N 3.33Å; M1448-L1452 HydrophobicContact CG-CD1 3.94Å; M1448-L1452 HydrophobicContact CG-CG 4.46Å; M1448-L1452 WeakPolarHBondContact O-CB 3.41Å; M1448-L1452 WeakPolarHBondContact O-CG 3.31Å; M1448-L1452 PolarHBondContact O-N 2.91Å; M1448-L1452 VanDerWaalsContact O-N 3.1Å; M1448-L1452 HydrophobicContact SD-CD1 4.04Å; M1448-L1452 HydrophobicContact SD-CG 4.14Å
1449I91.3Very high90Very high31 Ų3149.3 Ų49.316%0.15927%0.273CS..Hα-helixtrans-63.9-43.9175.7-67.4164.6000109.7P1293 L1296 R1445 T1446 D1447 L1452 G1453 G1454 V1455 I1458P1293-I1449 HydrophobicContact CG-CD1 4.08Å; P1293-I1449 HydrophobicContact CG-CG1 3.85Å; L1296-I1449 HydrophobicContact CD1-CD1 4.29Å; L1296-I1449 HydrophobicContact CD1-CG1 4.26Å; R1445-I1449 WeakPolarHBondContact O-CG1 3.49Å; R1445-I1449 PolarHBondContact O-N 2.88Å; T1446-I1449 WeakPolarHBondContact O-CB 3.36Å; T1446-I1449 PolarHBondContact O-N 2.83Å; D1447-I1449 VanDerWaalsContact C-N 3.32Å; D1447-I1449 PolarHBondContact O-N 3.18Å; I1449-L1452 PolarHBondContact O-N 2.87Å; I1449-G1453 PolarHBondContact O-N 3.02Å; I1449-G1454 WeakPolarHBondContact O-CA 3.47Å; I1449-G1454 PolarHBondContact O-N 2.67Å; I1449-V1455 HydrophobicContact CG2-CG2 3.79Å; I1449-I1458 HydrophobicContact CB-CD1 4.45Å; I1449-I1458 HydrophobicContact CG1-CD1 4.42Å; I1449-I1458 HydrophobicContact CG2-CD1 4.13Å
1450Q89Confident89.8Confident127 Ų12750.5 Ų50.559%0.59328%0.28SS*.Hα-helixtrans-64.2-47.5178.1-63.5-58.9-21.300112.2T1446 D1447 M1448 L1452 G1453T1446-Q1450 PolarHBondContact O-N 3.45Å; T1446-Q1450 VanDerWaalsContact O-N 3.09Å; D1447-Q1450 PolarHBondContact O-N 3.15Å; M1448-Q1450 VanDerWaalsContact C-N 3.33Å; Q1450-L1452 PolarHBondContact O-N 2.76Å; Q1450-L1452 VanDerWaalsContact O-N 3.15Å; Q1450-G1453 PolarHBondContact O-N 3.35Å
1451A87.4Confident89.9Confident28 Ų2848.1 Ų48.123%0.23127%0.266CS..Hα-helixtrans-58.6-30176.800000112.5Q1337 V1338 P1340 D1447 G1453Q1337-A1451 VanDerWaalsContact CG-O 3.27Å; Q1337-A1451 WeakPolarHBondContact CG-O 3.04Å; Q1337-A1451 PolarHBondContact NE2-O 3.46Å; V1338-A1451 WeakPolarHBondContact O-CB 3.4Å; P1340-A1451 HydrophobicContact CG-CB 3.96Å; D1447-A1451 VanDerWaalsContact O-CB 3.25Å; D1447-A1451 WeakPolarHBondContact O-CB 3.41Å; D1447-A1451 PolarHBondContact O-N 3.34Å; A1451-G1453 VanDerWaalsContact C-N 3.32Å
1452L87.6Confident90Very high8 Ų847 Ų474%0.04226%0.26CS..THydrogen-bonded Turntrans-84.42.9178.4-67175.4000114.7V1288 Q1337 I1339 M1448 I1449 Q1450 I1458V1288-L1452 HydrophobicContact CB-CD2 4.19Å; V1288-L1452 HydrophobicContact CG2-CD1 4.42Å; Q1337-L1452 VanDerWaalsContact NE2-CA 3.33Å; I1339-L1452 HydrophobicContact CD1-CD2 3.94Å; M1448-L1452 HydrophobicContact CG-CD1 3.94Å; M1448-L1452 HydrophobicContact CG-CG 4.46Å; M1448-L1452 WeakPolarHBondContact O-CB 3.41Å; M1448-L1452 WeakPolarHBondContact O-CG 3.31Å; M1448-L1452 PolarHBondContact O-N 2.91Å; M1448-L1452 VanDerWaalsContact O-N 3.1Å; M1448-L1452 HydrophobicContact SD-CD1 4.04Å; M1448-L1452 HydrophobicContact SD-CG 4.14Å; I1449-L1452 PolarHBondContact O-N 2.87Å; Q1450-L1452 PolarHBondContact O-N 2.76Å; Q1450-L1452 VanDerWaalsContact O-N 3.15Å; L1452-I1458 HydrophobicContact CB-CD1 3.94Å; L1452-I1458 HydrophobicContact CB-CG1 3.83Å; L1452-I1458 HydrophobicContact CD1-CD1 4.3Å
1453G84Confident90.2Very high52 Ų5243.4 Ų43.454%0.53624%0.241SC..THydrogen-bonded Turntrans96.325.7179.800000114.4I1449 Q1450 A1451 G1457I1449-G1453 PolarHBondContact O-N 3.02Å; Q1450-G1453 PolarHBondContact O-N 3.35Å; A1451-G1453 VanDerWaalsContact C-N 3.32Å; G1453-G1457 WeakPolarHBondContact O-CA 3.27Å; G1453-G1457 PolarHBondContact O-N 3.4Å
1454G88.6Confident90.3Very high13 Ų1339.7 Ų39.713%0.13422%0.22CC..Hα-helixtrans73.9-178.2-177.300000113.2I1449 I1458I1449-G1454 WeakPolarHBondContact O-CA 3.47Å; I1449-G1454 PolarHBondContact O-N 2.67Å; G1454-I1458 WeakPolarHBondContact O-CD1 3.1Å; G1454-I1458 WeakPolarHBondContact O-CG1 3.3Å; G1454-I1458 PolarHBondContact O-N 2.8Å
1455V90.9Very high90.2Very high26 Ų2642.7 Ų42.716%0.15823%0.233CC..Hα-helixtrans-66.8-42.4-179.5-178.90000111L1296 I1449 I1458 L1459 W1472L1296-V1455 HydrophobicContact CD1-CG1 4.28Å; L1296-V1455 HydrophobicContact CD1-CG2 4.29Å; L1296-V1455 HydrophobicContact CD2-CG1 3.92Å; I1449-V1455 HydrophobicContact CG2-CG2 3.79Å; V1455-I1458 WeakPolarHBondContact O-CB 3.24Å; V1455-I1458 PolarHBondContact O-N 3.37Å; V1455-L1459 HydrophobicContact CG1-CD1 3.87Å; V1455-L1459 HydrophobicContact CG1-CG 4.21Å; V1455-L1459 VanDerWaalsContact O-CG 3.29Å; V1455-L1459 WeakPolarHBondContact O-CG 3.08Å; V1455-L1459 PolarHBondContact O-N 3.1Å; V1455-W1472 HydrophobicContact CB-CZ2 4.24Å; V1455-W1472 HydrophobicContact CG1-CD2 3.66Å; V1455-W1472 HydrophobicContact CG1-CE3 3.95Å; V1455-W1472 HydrophobicContact CG1-CG 4.05Å; V1455-W1472 HydrophobicContact CG1-CH2 4.47Å; V1455-W1472 HydrophobicContact CG1-CZ2 4.2Å; V1455-W1472 HydrophobicContact CG1-CZ3 4.35Å; V1455-W1472 HydrophobicContact CG2-CH2 4.16Å; V1455-W1472 HydrophobicContact CG2-CZ2 4.24Å; V1455-W1472 HydrophobicContact CG2-CZ3 4.47Å
1456E87.7Confident90.2Very high144 Ų14437.5 Ų37.567%0.67321%0.213SC*.Hα-helixtrans-64.1-46.8179.9-62.5-172.8166.700112.3I1458 L1459 E1460E1456-I1458 VanDerWaalsContact C-N 3.25Å; E1456-I1458 PolarHBondContact O-N 2.9Å; E1456-L1459 PolarHBondContact O-N 3.09Å; E1456-E1460 PolarHBondContact O-N 2.86Å
1457G86.3Confident90.2Very high27 Ų2733.9 Ų33.928%0.27819%0.191SC..Hα-helixtrans-58.6-37.7176.100000112.5G1453 H1461G1453-G1457 WeakPolarHBondContact O-CA 3.27Å; G1453-G1457 PolarHBondContact O-N 3.4Å; G1457-H1461 PolarHBondContact O-CD2 3.2Å; G1457-H1461 VanDerWaalsContact O-CD2 3.29Å
1458I91.5Very high90Very high0 Ų035.4 Ų35.40%019%0.193CC..Hα-helixtrans-64.2-45.2171.7-68.9169.4000111.1V1288 T1292 L1296 I1449 L1452 G1454 V1455 E1456 E1460 H1461 T1462 W1512V1288-I1458 HydrophobicContact CG2-CB 4.47Å; V1288-I1458 HydrophobicContact CG2-CG1 4.1Å; V1288-I1458 HydrophobicContact CG2-CG2 4.26Å; T1292-I1458 HydrophobicContact CG2-CD1 4.3Å; T1292-I1458 HydrophobicContact CG2-CG2 3.64Å; L1296-I1458 HydrophobicContact CD1-CD1 3.98Å; L1296-I1458 HydrophobicContact CD1-CG2 4.47Å; I1449-I1458 HydrophobicContact CB-CD1 4.45Å; I1449-I1458 HydrophobicContact CG1-CD1 4.42Å; I1449-I1458 HydrophobicContact CG2-CD1 4.13Å; L1452-I1458 HydrophobicContact CB-CD1 3.94Å; L1452-I1458 HydrophobicContact CB-CG1 3.83Å; L1452-I1458 HydrophobicContact CD1-CD1 4.3Å; G1454-I1458 WeakPolarHBondContact O-CD1 3.1Å; G1454-I1458 WeakPolarHBondContact O-CG1 3.3Å; G1454-I1458 PolarHBondContact O-N 2.8Å; V1455-I1458 WeakPolarHBondContact O-CB 3.24Å; V1455-I1458 PolarHBondContact O-N 3.37Å; E1456-I1458 VanDerWaalsContact C-N 3.25Å; E1456-I1458 PolarHBondContact O-N 2.9Å; I1458-E1460 VanDerWaalsContact C-N 3.34Å; I1458-E1460 PolarHBondContact O-N 2.75Å; I1458-H1461 WeakPolarHBondContact O-CB 3.26Å; I1458-H1461 PolarHBondContact O-N 2.61Å; I1458-T1462 WeakPolarHBondContact O-CG2 3.31Å; I1458-W1512 HydrophobicContact CG2-CH2 4.02Å
1459L92.2Very high89.8Confident12 Ų1236.2 Ų36.26%0.06320%0.197CC..Hα-helixtrans-70.6-24.9-174.9-68.8177.7000113.4V1455 E1456 H1461 T1462 F1464 W1472 W1511V1455-L1459 HydrophobicContact CG1-CD1 3.87Å; V1455-L1459 HydrophobicContact CG1-CG 4.21Å; V1455-L1459 VanDerWaalsContact O-CG 3.29Å; V1455-L1459 WeakPolarHBondContact O-CG 3.08Å; V1455-L1459 PolarHBondContact O-N 3.1Å; E1456-L1459 PolarHBondContact O-N 3.09Å; L1459-H1461 PolarHBondContact O-N 2.81Å; L1459-T1462 WeakPolarHBondContact O-CA 3.27Å; L1459-T1462 WeakPolarHBondContact O-CB 3.43Å; L1459-T1462 PolarHBondContact O-N 3.43Å; L1459-T1462 PolarHBondContact O-OG1 3.5Å; L1459-F1464 HydrophobicContact CB-CB 4.25Å; L1459-F1464 HydrophobicContact CB-CD1 4.33Å; L1459-F1464 HydrophobicContact CB-CG 4.4Å; L1459-F1464 HydrophobicContact CD1-CD1 4.06Å; L1459-F1464 HydrophobicContact CD1-CD2 4.26Å; L1459-F1464 HydrophobicContact CD1-CE1 4.29Å; L1459-F1464 HydrophobicContact CD1-CE2 4.48Å; L1459-F1464 HydrophobicContact CD1-CG 4.05Å; L1459-F1464 HydrophobicContact CD1-CZ 4.5Å; L1459-F1464 HydrophobicContact CD2-CB 4.08Å; L1459-F1464 HydrophobicContact CD2-CG 4.28Å; L1459-F1464 HydrophobicContact CG-CG 4.47Å; L1459-W1472 HydrophobicContact CD1-CB 3.68Å; L1459-W1472 HydrophobicContact CD1-CG 3.94Å; L1459-W1511 HydrophobicContact CD2-CH2 4.05Å; L1459-W1511 HydrophobicContact CD2-CZ2 3.67Å
1460E87.2Confident89.4Confident56 Ų5640.6 Ų40.626%0.26223%0.227SC..Hα-helixtrans-59.9-29.9172.1-70.5-57152.500113.1E1456 I1458 T1462 K1465 Y1645 Y1683E1456-E1460 PolarHBondContact O-N 2.86Å; I1458-E1460 VanDerWaalsContact C-N 3.34Å; I1458-E1460 PolarHBondContact O-N 2.75Å; E1460-T1462 PolarHBondContact O-N 3.11Å; E1460-K1465 VanDerWaalsContact OE1-CE 3.23Å; E1460-K1465 WeakPolarHBondContact OE1-CE 3.47Å; E1460-K1465 IonicContact OE1-NZ 3.51Å; E1460-K1465 PolarHBondContact OE1-NZ 3.18Å; E1460-K1465 IonicContact OE2-NZ 2.88Å; E1460-K1465 PolarHBondContact OE2-NZ 3.22Å; E1460-Y1645 HydrophobicContact CB-CE2 4.26Å; E1460-Y1683 PolarHBondContact O-OH 2.78Å; E1460-Y1683 VanDerWaalsContact O-OH 3.08Å
1461H91.1Very high89.1Confident23 Ų2337.1 Ų37.111%0.10621%0.214CC..THydrogen-bonded Turntrans-75.3-6.4175.4-73.4-74.3000114G1457 I1458 L1459 W1512 T1515 Y1645G1457-H1461 PolarHBondContact O-CD2 3.2Å; G1457-H1461 VanDerWaalsContact O-CD2 3.29Å; I1458-H1461 WeakPolarHBondContact O-CB 3.26Å; I1458-H1461 PolarHBondContact O-N 2.61Å; L1459-H1461 PolarHBondContact O-N 2.81Å; H1461-W1512 HydrophobicContact CB-CE3 4.08Å; H1461-W1512 HydrophobicContact CB-CZ3 3.72Å; H1461-T1515 WeakPolarHBondContact CA-OG1 3.5Å; H1461-T1515 VanDerWaalsContact CB-OG1 3.3Å; H1461-T1515 WeakPolarHBondContact CB-OG1 3.18Å; H1461-T1515 PolarHBondContact ND1-OG1 3.17Å; H1461-T1515 VanDerWaalsContact ND1-OG1 3.11Å; H1461-T1515 PolarHBondContact O-OG1 3.23Å; H1461-Y1645 AromaticContact CE1-CD2 3.87Å; H1461-Y1645 AromaticContact CE1-CE1 3.59Å; H1461-Y1645 AromaticContact CE1-CE2 3.28Å; H1461-Y1645 WeakPolarHBondContact CE1-CE2 3.07Å; H1461-Y1645 AromaticContact CE1-CZ 3.11Å; H1461-Y1645 PolarHBondContact CE1-OH 3.16Å; H1461-Y1645 AromaticContact CG-CE2 3.8Å; H1461-Y1645 AromaticContact ND1-CD2 3.46Å; H1461-Y1645 WeakPolarHBondContact ND1-CD2 3.49Å; H1461-Y1645 AromaticContact ND1-CE2 3.32Å; H1461-Y1645 VanDerWaalsContact ND1-CE2 3.32Å; H1461-Y1645 WeakPolarHBondContact ND1-CE2 3.46Å; H1461-Y1645 AromaticContact ND1-CG 3.87Å; H1461-Y1645 AromaticContact ND1-CZ 3.63Å; H1461-Y1645 AromaticContact NE2-CE2 3.75Å; H1461-Y1645 AromaticContact NE2-CZ 3.69Å; H1461-Y1645 PolarHBondContact NE2-OH 3.39Å
1462T94.1Very high89.1Confident1 Ų140.1 Ų40.11%0.00622%0.22CC..THydrogen-bonded Turntrans-117.5176.3-168.377.10000112.7I1458 L1459 E1460 F1464 W1511 W1512I1458-T1462 WeakPolarHBondContact O-CG2 3.31Å; L1459-T1462 WeakPolarHBondContact O-CA 3.27Å; L1459-T1462 WeakPolarHBondContact O-CB 3.43Å; L1459-T1462 PolarHBondContact O-N 3.43Å; L1459-T1462 PolarHBondContact O-OG1 3.5Å; E1460-T1462 PolarHBondContact O-N 3.11Å; T1462-F1464 VanDerWaalsContact C-N 3.29Å; T1462-F1464 PolarHBondContact O-N 3.26Å; T1462-F1464 WeakPolarHBondContact OG1-CB 3.49Å; T1462-F1464 PolarHBondContact OG1-N 3.1Å; T1462-W1511 CarbonylContact C-O 3.59Å; T1462-W1511 VanDerWaalsContact CA-O 3.25Å; T1462-W1511 WeakPolarHBondContact CA-O 3.22Å; T1462-W1511 HydrophobicContact CG2-CD2 4.2Å; T1462-W1511 HydrophobicContact CG2-CZ2 3.8Å; T1462-W1512 HydrophobicContact CG2-CD2 4.42Å; T1462-W1512 HydrophobicContact CG2-CE3 3.89Å; T1462-W1512 HydrophobicContact CG2-CH2 3.98Å; T1462-W1512 HydrophobicContact CG2-CZ2 4.47Å; T1462-W1512 HydrophobicContact CG2-CZ3 3.67Å
1463L94.2Very high88.6Confident1 Ų146.8 Ų46.81%0.00525%0.251CS..THydrogen-bonded Turntrans-90.921.1176.9-149.9126.8000113.5G1466 T1467 W1511 S1513 W1642 I1721 L1725L1463-G1466 WeakPolarHBondContact O-CA 3.49Å; L1463-G1466 PolarHBondContact O-N 3.18Å; L1463-G1466 VanDerWaalsContact O-N 3.07Å; L1463-T1467 PolarHBondContact O-N 3.5Å; L1463-W1511 PolarHBondContact N-O 3.24Å; L1463-S1513 WeakPolarHBondContact CD1-OG 3.39Å; L1463-W1642 HydrophobicContact CD1-CH2 3.99Å; L1463-W1642 HydrophobicContact CD1-CZ2 3.59Å; L1463-I1721 HydrophobicContact CD2-CB 4.28Å; L1463-I1721 HydrophobicContact CD2-CD1 3.98Å; L1463-I1721 HydrophobicContact CD2-CG1 4.1Å; L1463-I1721 HydrophobicContact CD2-CG2 3.21Å; L1463-L1725 HydrophobicContact CB-CD1 4.5Å; L1463-L1725 HydrophobicContact CD2-CD1 4.22Å
1464F93.5Very high88.1Confident27 Ų2745.9 Ų45.912%0.11824%0.241CC..Hα-helixtrans-56.5-48.5179.6171.7-104.3000112.9L1459 T1462 G1466 T1467 F1469 W1472 L1475 W1511L1459-F1464 HydrophobicContact CB-CB 4.25Å; L1459-F1464 HydrophobicContact CB-CD1 4.33Å; L1459-F1464 HydrophobicContact CB-CG 4.4Å; L1459-F1464 HydrophobicContact CD1-CD1 4.06Å; L1459-F1464 HydrophobicContact CD1-CD2 4.26Å; L1459-F1464 HydrophobicContact CD1-CE1 4.29Å; L1459-F1464 HydrophobicContact CD1-CE2 4.48Å; L1459-F1464 HydrophobicContact CD1-CG 4.05Å; L1459-F1464 HydrophobicContact CD1-CZ 4.5Å; L1459-F1464 HydrophobicContact CD2-CB 4.08Å; L1459-F1464 HydrophobicContact CD2-CG 4.28Å; L1459-F1464 HydrophobicContact CG-CG 4.47Å; T1462-F1464 VanDerWaalsContact C-N 3.29Å; T1462-F1464 PolarHBondContact O-N 3.26Å; T1462-F1464 WeakPolarHBondContact OG1-CB 3.49Å; T1462-F1464 PolarHBondContact OG1-N 3.1Å; F1464-G1466 PolarHBondContact O-N 2.89Å; F1464-T1467 PolarHBondContact O-N 3.37Å; F1464-T1467 PolarHBondContact O-OG1 3.33Å; F1464-F1469 HydrophobicContact CE2-CB 4.23Å; F1464-W1472 HydrophobicContact CE2-CB 3.86Å; F1464-W1472 HydrophobicContact CZ-CB 4Å; F1464-L1475 HydrophobicContact CD2-CD1 3.85Å; F1464-L1475 HydrophobicContact CE2-CD1 3.61Å; F1464-W1511 HydrophobicContact CB-CH2 3.77Å; F1464-W1511 HydrophobicContact CB-CZ3 4.23Å; F1464-W1511 HydrophobicContact CD2-CH2 4.48Å
1465K91.1Very high87.8Confident71 Ų7146.9 Ų46.931%0.30924%0.244SC..Hα-helixtrans-62.7-28.6176.8-61.3-163.2-171.4152.20111.8E1460 T1467 Y1468 Y1683 N1684E1460-K1465 VanDerWaalsContact OE1-CE 3.23Å; E1460-K1465 WeakPolarHBondContact OE1-CE 3.47Å; E1460-K1465 IonicContact OE1-NZ 3.51Å; E1460-K1465 PolarHBondContact OE1-NZ 3.18Å; E1460-K1465 IonicContact OE2-NZ 2.88Å; E1460-K1465 PolarHBondContact OE2-NZ 3.22Å; K1465-T1467 VanDerWaalsContact C-N 3.34Å; K1465-T1467 PolarHBondContact O-N 3.28Å; K1465-Y1468 PolarHBondContact O-N 3.07Å; K1465-Y1468 VanDerWaalsContact O-N 3.12Å; K1465-Y1683 HydrophobicContact CB-CD1 4.02Å; K1465-Y1683 WeakPolarHBondContact CB-O 3.21Å; K1465-Y1683 HydrophobicContact CD-CD1 4.03Å; K1465-Y1683 HydrophobicContact CG-CD1 4.28Å; K1465-N1684 PolarHBondContact O-ND2 3Å
1466G91.4Very high87.3Confident0 Ų051 Ų510%026%0.259CS..Hα-helixtrans-66.1-28.9173.900000114.5L1463 F1464 Y1468 A1682 N1684L1463-G1466 WeakPolarHBondContact O-CA 3.49Å; L1463-G1466 PolarHBondContact O-N 3.18Å; L1463-G1466 VanDerWaalsContact O-N 3.07Å; F1464-G1466 PolarHBondContact O-N 2.89Å; G1466-Y1468 VanDerWaalsContact C-N 3.27Å; G1466-A1682 WeakPolarHBondContact CA-O 3.4Å; G1466-A1682 PolarHBondContact N-O 3.1Å; G1466-N1684 WeakPolarHBondContact CA-ND2 3.32Å; G1466-N1684 PolarHBondContact O-ND2 3.25Å
1467T90.8Very high87Confident0 Ų045.9 Ų45.90%023%0.234CC..Hα-helixtrans-73.7-18.5172.149.80000113.3L1463 F1464 K1465 F1469 I1721 R1722 L1725 L1727L1463-T1467 PolarHBondContact O-N 3.5Å; F1464-T1467 PolarHBondContact O-N 3.37Å; F1464-T1467 PolarHBondContact O-OG1 3.33Å; K1465-T1467 VanDerWaalsContact C-N 3.34Å; K1465-T1467 PolarHBondContact O-N 3.28Å; T1467-F1469 VanDerWaalsContact C-N 3.27Å; T1467-F1469 HydrophobicContact CG2-CD2 4.29Å; T1467-F1469 HydrophobicContact CG2-CE2 4.05Å; T1467-F1469 PolarHBondContact O-N 2.72Å; T1467-F1469 WeakPolarHBondContact OG1-CD2 3.29Å; T1467-I1721 HydrophobicContact CG2-CG2 3.68Å; T1467-R1722 HydrophobicContact CG2-CG 3.9Å; T1467-R1722 VanDerWaalsContact O-CZ 3.25Å; T1467-R1722 PolarHBondContact O-NE 3.27Å; T1467-R1722 PolarHBondContact O-NH2 3.15Å; T1467-L1725 HydrophobicContact CG2-CD1 3.62Å; T1467-L1727 HydrophobicContact CG2-CD1 4.46Å
1468Y89Confident86.3Confident95 Ų9547 Ų4737%0.37323%0.232SC..THydrogen-bonded Turntrans52.745.2-177.2-158.5-106.4000112.2K1465 G1466 N1684 R1722K1465-Y1468 PolarHBondContact O-N 3.07Å; K1465-Y1468 VanDerWaalsContact O-N 3.12Å; G1466-Y1468 VanDerWaalsContact C-N 3.27Å; Y1468-N1684 HydrophobicContact CD2-CB 3.78Å; Y1468-N1684 HydrophobicContact CE2-CB 4.28Å; Y1468-R1722 PolarHBondContact O-NH2 2.72Å; Y1468-R1722 VanDerWaalsContact O-NH2 3.09Å
1469F87.5Confident85Confident19 Ų1956.6 Ų56.68%0.08327%0.274CS..  trans-83.3141.7166.4-72.8-60000108.4F1464 T1467 T1471 L1475 R1722 L1727F1464-F1469 HydrophobicContact CE2-CB 4.23Å; T1467-F1469 VanDerWaalsContact C-N 3.27Å; T1467-F1469 HydrophobicContact CG2-CD2 4.29Å; T1467-F1469 HydrophobicContact CG2-CE2 4.05Å; T1467-F1469 PolarHBondContact O-N 2.72Å; T1467-F1469 WeakPolarHBondContact OG1-CD2 3.29Å; F1469-T1471 PolarHBondContact O-N 3.02Å; F1469-L1475 HydrophobicContact CB-CD2 4.23Å; F1469-L1475 HydrophobicContact CD1-CD2 3.99Å; F1469-L1475 HydrophobicContact CD2-CD1 3.92Å; F1469-L1475 HydrophobicContact CD2-CD2 3.4Å; F1469-L1475 VanDerWaalsContact CD2-CD2 3.4Å; F1469-L1475 HydrophobicContact CD2-CG 4.32Å; F1469-L1475 HydrophobicContact CE1-CD2 4.15Å; F1469-L1475 HydrophobicContact CE2-CD1 4.45Å; F1469-L1475 HydrophobicContact CE2-CD2 3.6Å; F1469-L1475 HydrophobicContact CG-CD2 3.63Å; F1469-L1475 HydrophobicContact CZ-CD2 3.97Å; F1469-R1722 HydrophobicContact CE2-CG 4.09Å; F1469-R1722 HydrophobicContact CZ-CG 3.86Å; F1469-L1727 HydrophobicContact CE2-CB 4.05Å
1470P83.2Confident83.3Confident122 Ų12257.8 Ų57.879%0.79229%0.285SS*.SBendtrans-63.8-38.8179.1-22.233.3000113.1
1471T82.2Confident81.8Confident54 Ų5455.5 Ų55.533%0.33128%0.275SS..  trans-141.8163.7-178.3179.10000111.2F1469 E1473F1469-T1471 PolarHBondContact O-N 3.02Å; T1471-E1473 PolarHBondContact OG1-N 2.93Å
1472W86.2Confident80.2Confident92 Ų9256.8 Ų56.835%0.34830%0.295SS..SBendtrans-92-16.5177.860.2-93.9000113.8V1455 L1459 F1464 G1474 L1475V1455-W1472 HydrophobicContact CB-CZ2 4.24Å; V1455-W1472 HydrophobicContact CG1-CD2 3.66Å; V1455-W1472 HydrophobicContact CG1-CE3 3.95Å; V1455-W1472 HydrophobicContact CG1-CG 4.05Å; V1455-W1472 HydrophobicContact CG1-CH2 4.47Å; V1455-W1472 HydrophobicContact CG1-CZ2 4.2Å; V1455-W1472 HydrophobicContact CG1-CZ3 4.35Å; V1455-W1472 HydrophobicContact CG2-CH2 4.16Å; V1455-W1472 HydrophobicContact CG2-CZ2 4.24Å; V1455-W1472 HydrophobicContact CG2-CZ3 4.47Å; L1459-W1472 HydrophobicContact CD1-CB 3.68Å; L1459-W1472 HydrophobicContact CD1-CG 3.94Å; F1464-W1472 HydrophobicContact CE2-CB 3.86Å; F1464-W1472 HydrophobicContact CZ-CB 4Å; W1472-G1474 PolarHBondContact O-N 3.29Å; W1472-L1475 WeakPolarHBondContact O-CB 3.45Å; W1472-L1475 PolarHBondContact O-N 3.05Å
1473E77.6Confident78.9Confident147 Ų14762 Ų6269%0.68732%0.318SS*.THydrogen-bonded Turntrans-68.3-32.3-168.8-66.7174.4157.800114.1T1471T1471-E1473 PolarHBondContact OG1-N 2.93Å
1474G74.3Confident77.6Confident33 Ų3363.4 Ų63.434%0.3432%0.324SS..THydrogen-bonded Turntrans-90.68.8177.800000115W1472W1472-G1474 PolarHBondContact O-N 3.29Å
1475L82.7Confident76.4Confident35 Ų3566.2 Ų66.218%0.18334%0.337CS..  trans-86.3128-175.8-61.8-171.5000112.3F1464 F1469 W1472F1464-L1475 HydrophobicContact CD2-CD1 3.85Å; F1464-L1475 HydrophobicContact CE2-CD1 3.61Å; F1469-L1475 HydrophobicContact CB-CD2 4.23Å; F1469-L1475 HydrophobicContact CD1-CD2 3.99Å; F1469-L1475 HydrophobicContact CD2-CD1 3.92Å; F1469-L1475 HydrophobicContact CD2-CD2 3.4Å; F1469-L1475 VanDerWaalsContact CD2-CD2 3.4Å; F1469-L1475 HydrophobicContact CD2-CG 4.32Å; F1469-L1475 HydrophobicContact CE1-CD2 4.15Å; F1469-L1475 HydrophobicContact CE2-CD1 4.45Å; F1469-L1475 HydrophobicContact CE2-CD2 3.6Å; F1469-L1475 HydrophobicContact CG-CD2 3.63Å; F1469-L1475 HydrophobicContact CZ-CD2 3.97Å; W1472-L1475 WeakPolarHBondContact O-CB 3.45Å; W1472-L1475 PolarHBondContact O-N 3.05Å
1476F78.9Confident75.5Confident111 Ų11165.5 Ų65.549%0.48734%0.341SS..EExtended strand (participates in β ladder)trans-123.5134.8170.460.2-85.6000111.6Y1728F1476-Y1728 HydrophobicContact CE2-CD2 4.48Å; F1476-Y1728 PolarHBondContact N-O 3.12Å
1477W82.1Confident74.4Confident38 Ų3867.9 Ų67.914%0.14435%0.353CS..EExtended strand (participates in β ladder)trans-77.3130.3172.5-6589000110.1E1295 K1479 R1507 W1511 L1725 L1727E1295-W1477 PolarHBondContact O-NE1 2.72Å; W1477-K1479 PolarHBondContact O-N 3.43Å; W1477-R1507 HydrophobicContact CZ3-CG 4.35Å; W1477-W1511 HydrophobicContact CH2-CB 4.3Å; W1477-W1511 AromaticContact CH2-CD2 3.5Å; W1477-W1511 HydrophobicContact CH2-CD2 3.5Å; W1477-W1511 AromaticContact CH2-CE2 3.78Å; W1477-W1511 AromaticContact CH2-CE3 3.76Å; W1477-W1511 HydrophobicContact CH2-CE3 3.76Å; W1477-W1511 AromaticContact CH2-CG 3.75Å; W1477-W1511 HydrophobicContact CH2-CG 3.75Å; W1477-W1511 HydrophobicContact CH2-CH2 4.44Å; W1477-W1511 HydrophobicContact CH2-CZ2 4.25Å; W1477-W1511 HydrophobicContact CH2-CZ3 4.23Å; W1477-W1511 AromaticContact CZ2-CD2 3.93Å; W1477-W1511 HydrophobicContact CZ2-CD2 3.93Å; W1477-W1511 AromaticContact CZ2-CE2 3.68Å; W1477-W1511 HydrophobicContact CZ2-CE3 4.34Å; W1477-W1511 HydrophobicContact CZ2-CG 4.35Å; W1477-W1511 HydrophobicContact CZ2-CH2 4.26Å; W1477-W1511 AromaticContact CZ2-CZ2 3.86Å; W1477-W1511 HydrophobicContact CZ2-CZ2 3.86Å; W1477-W1511 HydrophobicContact CZ2-CZ3 4.49Å; W1477-W1511 AromaticContact CZ2-NE1 3.99Å; W1477-L1725 WeakPolarHBondContact CZ3-O 3.39Å; W1477-L1727 HydrophobicContact CD2-CD2 3.55Å; W1477-L1727 HydrophobicContact CD2-CG 4.34Å; W1477-L1727 HydrophobicContact CE3-CD2 3.7Å; W1477-L1727 HydrophobicContact CE3-CG 3.98Å; W1477-L1727 HydrophobicContact CG-CD2 4.04Å; W1477-L1727 HydrophobicContact CH2-CD1 3.88Å; W1477-L1727 HydrophobicContact CH2-CD2 4.08Å; W1477-L1727 HydrophobicContact CH2-CG 4.06Å; W1477-L1727 HydrophobicContact CZ2-CD1 4.22Å; W1477-L1727 HydrophobicContact CZ2-CD2 3.94Å; W1477-L1727 HydrophobicContact CZ2-CG 4.39Å; W1477-L1727 HydrophobicContact CZ3-CD1 4.13Å; W1477-L1727 HydrophobicContact CZ3-CD2 3.97Å; W1477-L1727 HydrophobicContact CZ3-CG 3.84Å
1478E72.2Confident73.3Confident50 Ų5071.2 Ų71.223%0.23437%0.368CS..  trans-63.4107.8169.8-159.6-174.8-172.100109.2A1480 S1481 R1507 Q1726 Y1728E1478-A1480 VanDerWaalsContact C-N 3.27Å; E1478-A1480 PolarHBondContact O-N 3.25Å; E1478-S1481 VanDerWaalsContact OE1-CA 3.3Å; E1478-S1481 WeakPolarHBondContact OE1-CA 3.36Å; E1478-S1481 WeakPolarHBondContact OE2-CB 3.33Å; E1478-R1507 PolarHBondContact O-NH1 3.47Å; E1478-Q1726 HydrophobicContact CB-CB 3.99Å; E1478-Q1726 PolarHBondContact N-O 3.24Å; E1478-Q1726 VanDerWaalsContact N-O 3.15Å; E1478-Y1728 HydrophobicContact CB-CE2 4.33Å
1479K62.7Low72.5Confident202 Ų20275 Ų7588%0.87838%0.383SS*.SBendtrans-69.1-24.8-173.2-75.2178.9-178.6165.60112.8W1477W1477-K1479 PolarHBondContact O-N 3.43Å
1480A56.6Low71.9Confident36 Ų3680.3 Ų80.330%0.29841%0.406SS..SBendtrans-153.8122.1169.300000107.5E1478 G1482 E1485E1478-A1480 VanDerWaalsContact C-N 3.27Å; E1478-A1480 PolarHBondContact O-N 3.25Å; A1480-G1482 PolarHBondContact O-N 3.15Å; A1480-E1485 HydrophobicContact CB-CG 3.63Å; A1480-E1485 WeakPolarHBondContact CB-OE1 3.49Å
1481S56.2Low71.5Confident8 Ų884.7 Ų84.76%0.05641%0.412CS..  trans-66.6141.7177.6750000110E1478 F1483 E1484 E1485E1478-S1481 VanDerWaalsContact OE1-CA 3.3Å; E1478-S1481 WeakPolarHBondContact OE1-CA 3.36Å; E1478-S1481 WeakPolarHBondContact OE2-CB 3.33Å; S1481-F1483 CarbonylContact O-C 3.5Å; S1481-F1483 PolarHBondContact O-N 3.03Å; S1481-E1484 PolarHBondContact N-OE2 3.48Å; S1481-E1484 PolarHBondContact O-N 3.38Å; S1481-E1484 WeakPolarHBondContact OG-CG 3.34Å; S1481-E1484 PolarHBondContact OG-N 3.49Å; S1481-E1484 VanDerWaalsContact OG-N 3.08Å; S1481-E1485 PolarHBondContact O-N 2.87Å; S1481-E1485 VanDerWaalsContact O-N 3.08Å
1482G57Low71Confident50 Ų5083.7 Ų83.752%0.51541%0.405SS..Hα-helixtrans-51.3-25.117300000112.3A1480 S1486A1480-G1482 PolarHBondContact O-N 3.15Å; G1482-S1486 WeakPolarHBondContact O-CB 3.37Å; G1482-S1486 PolarHBondContact O-N 3.35Å; G1482-S1486 VanDerWaalsContact O-N 3.07Å; G1482-S1486 PolarHBondContact O-OG 2.84Å
1483F67.2Low70.7Confident111 Ų11183.2 Ų83.249%0.48741%0.412SS..Hα-helixtrans-71.1-45.9171.4-175.1-97.2000114.2S1481 S1486 M1487 L1500 I1503S1481-F1483 CarbonylContact O-C 3.5Å; S1481-F1483 PolarHBondContact O-N 3.03Å; F1483-S1486 WeakPolarHBondContact CA-OG 3.23Å; F1483-S1486 PolarHBondContact O-OG 2.79Å; F1483-S1486 VanDerWaalsContact O-OG 3.07Å; F1483-M1487 HydrophobicContact CD1-CG 4.33Å; F1483-M1487 HydrophobicContact CD2-CE 4.46Å; F1483-M1487 HydrophobicContact CD2-CG 4.34Å; F1483-M1487 HydrophobicContact CE1-CG 3.94Å; F1483-M1487 HydrophobicContact CE2-CE 3.51Å; F1483-M1487 HydrophobicContact CE2-CG 3.96Å; F1483-M1487 HydrophobicContact CZ-CE 3.67Å; F1483-M1487 HydrophobicContact CZ-CG 3.75Å; F1483-M1487 HydrophobicContact CZ-SD 4.46Å; F1483-M1487 VanDerWaalsContact O-CB 3.23Å; F1483-M1487 WeakPolarHBondContact O-CB 3.4Å; F1483-M1487 VanDerWaalsContact O-CG 3.28Å; F1483-M1487 WeakPolarHBondContact O-CG 3.16Å; F1483-M1487 PolarHBondContact O-N 3.35Å; F1483-L1500 HydrophobicContact CE1-CD2 4.17Å; F1483-I1503 HydrophobicContact CE1-CD1 4.35Å
1484E67.6Low70.5Confident31 Ų3182.3 Ų82.315%0.14541%0.412CS..Hα-helixtrans-65.4-40.7179.1-74.6169.3156.100111.6S1481 K1488 I1503 P1504S1481-E1484 PolarHBondContact N-OE2 3.48Å; S1481-E1484 PolarHBondContact O-N 3.38Å; S1481-E1484 WeakPolarHBondContact OG-CG 3.34Å; S1481-E1484 PolarHBondContact OG-N 3.49Å; S1481-E1484 VanDerWaalsContact OG-N 3.08Å; E1484-K1488 WeakPolarHBondContact O-CB 3.28Å; E1484-K1488 PolarHBondContact O-N 3.45Å; E1484-I1503 WeakPolarHBondContact OE1-CG2 3.4Å; E1484-P1504 WeakPolarHBondContact OE1-CD 3.37Å; E1484-P1504 WeakPolarHBondContact OE1-CG 3.43Å
1485E68.4Low70.3Confident85 Ų8584.4 Ų84.440%0.39743%0.426SS..Hα-helixtrans-68.6-49.8176.5-64.4-157145.300112.1A1480 S1481 M1487 K1488 Y1489A1480-E1485 HydrophobicContact CB-CG 3.63Å; A1480-E1485 WeakPolarHBondContact CB-OE1 3.49Å; S1481-E1485 PolarHBondContact O-N 2.87Å; S1481-E1485 VanDerWaalsContact O-N 3.08Å; E1485-M1487 VanDerWaalsContact C-N 3.29Å; E1485-M1487 PolarHBondContact O-N 3.47Å; E1485-K1488 WeakPolarHBondContact O-CB 3.38Å; E1485-K1488 PolarHBondContact O-N 3.27Å; E1485-Y1489 HydrophobicContact CB-CE2 4.39Å; E1485-Y1489 WeakPolarHBondContact O-CD2 3.45Å; E1485-Y1489 PolarHBondContact O-N 3.16Å
1486S71.2Confident69.8Low56 Ų5687.4 Ų87.439%0.39244%0.439SS..Hα-helixtrans-58.9-41.1177.9600000112.1G1482 F1483 K1490G1482-S1486 WeakPolarHBondContact O-CB 3.37Å; G1482-S1486 PolarHBondContact O-N 3.35Å; G1482-S1486 VanDerWaalsContact O-N 3.07Å; G1482-S1486 PolarHBondContact O-OG 2.84Å; F1483-S1486 WeakPolarHBondContact CA-OG 3.23Å; F1483-S1486 PolarHBondContact O-OG 2.79Å; F1483-S1486 VanDerWaalsContact O-OG 3.07Å; S1486-K1490 WeakPolarHBondContact O-CG 3.41Å; S1486-K1490 PolarHBondContact O-N 2.86Å; S1486-K1490 VanDerWaalsContact O-N 3.17Å
1487M69.6Low69.5Low50 Ų5084.7 Ų84.725%0.24643%0.426CS..Hα-helixtrans-71.4-29.6175.4-74.3-67.9178.100113F1483 E1485 K1490 L1492 L1500F1483-M1487 HydrophobicContact CD1-CG 4.33Å; F1483-M1487 HydrophobicContact CD2-CE 4.46Å; F1483-M1487 HydrophobicContact CD2-CG 4.34Å; F1483-M1487 HydrophobicContact CE1-CG 3.94Å; F1483-M1487 HydrophobicContact CE2-CE 3.51Å; F1483-M1487 HydrophobicContact CE2-CG 3.96Å; F1483-M1487 HydrophobicContact CZ-CE 3.67Å; F1483-M1487 HydrophobicContact CZ-CG 3.75Å; F1483-M1487 HydrophobicContact CZ-SD 4.46Å; F1483-M1487 VanDerWaalsContact O-CB 3.23Å; F1483-M1487 WeakPolarHBondContact O-CB 3.4Å; F1483-M1487 VanDerWaalsContact O-CG 3.28Å; F1483-M1487 WeakPolarHBondContact O-CG 3.16Å; F1483-M1487 PolarHBondContact O-N 3.35Å; E1485-M1487 VanDerWaalsContact C-N 3.29Å; E1485-M1487 PolarHBondContact O-N 3.47Å; M1487-K1490 PolarHBondContact O-N 2.65Å; M1487-K1490 HydrophobicContact SD-CD 4.38Å; M1487-L1492 HydrophobicContact CB-CD1 4.18Å; M1487-L1492 WeakPolarHBondContact O-CD1 3.42Å; M1487-L1492 WeakPolarHBondContact O-CG 3.45Å; M1487-L1492 HydrophobicContact SD-CD2 4.36Å; M1487-L1500 HydrophobicContact CB-CD1 4.01Å; M1487-L1500 HydrophobicContact CB-CD2 4.03Å; M1487-L1500 HydrophobicContact CG-CD2 4.49Å
1488K67.6Low69.1Low70 Ų7084.8 Ų84.830%0.30443%0.432SS..Hα-helixtrans-68.3-36177.3178.2-173.8172.1-156.70111.9N826 E1484 E1485N826-K1488 VanDerWaalsContact CG-NZ 3.27Å; N826-K1488 WeakPolarHBondContact OD1-CE 3.25Å; N826-K1488 PolarHBondContact OD1-NZ 3.39Å; E1484-K1488 WeakPolarHBondContact O-CB 3.28Å; E1484-K1488 PolarHBondContact O-N 3.45Å; E1485-K1488 WeakPolarHBondContact O-CB 3.38Å; E1485-K1488 PolarHBondContact O-N 3.27Å
1489Y71.2Confident69.1Low176 Ų17684.1 Ų84.169%0.6944%0.439SS*.Hα-helixtrans-80.2-25.3175.1-65.1-65.9000113.3E1485E1485-Y1489 HydrophobicContact CB-CE2 4.39Å; E1485-Y1489 WeakPolarHBondContact O-CD2 3.45Å; E1485-Y1489 PolarHBondContact O-N 3.16Å
1490K75.5Confident69.7Low130 Ų13075.9 Ų75.957%0.56540%0.404SS*.SBendtrans-66.2148.8171.8-77-174.4-179.7-173.20112.8S1486 M1487 L1492S1486-K1490 WeakPolarHBondContact O-CG 3.41Å; S1486-K1490 PolarHBondContact O-N 2.86Å; S1486-K1490 VanDerWaalsContact O-N 3.17Å; M1487-K1490 PolarHBondContact O-N 2.65Å; M1487-K1490 HydrophobicContact SD-CD 4.38Å; K1490-L1492 PolarHBondContact O-N 3.34Å
1491K73.7Confident70.8Confident213 Ų21376.7 Ų76.793%0.92640%0.404SS*.  trans-72.792176.9-167.8174.7-176.6177.90110.6
1492L73.2Confident71.9Confident34 Ų3480.7 Ų80.718%0.17842%0.421CS..  trans-104.1154.7-179.1-63.6-179.4000114.1M1487 K1490 Q1496 L1500M1487-L1492 HydrophobicContact CB-CD1 4.18Å; M1487-L1492 WeakPolarHBondContact O-CD1 3.42Å; M1487-L1492 WeakPolarHBondContact O-CG 3.45Å; M1487-L1492 HydrophobicContact SD-CD2 4.36Å; K1490-L1492 PolarHBondContact O-N 3.34Å; L1492-Q1496 HydrophobicContact CB-CB 4.21Å; L1492-Q1496 HydrophobicContact CD1-CB 4.41Å; L1492-Q1496 HydrophobicContact CD2-CB 4.47Å; L1492-L1500 HydrophobicContact CD1-CD1 3.41Å; L1492-L1500 VanDerWaalsContact CD1-CD1 3.41Å; L1492-L1500 HydrophobicContact CD1-CG 4.49Å
1493T78.8Confident72.9Confident81 Ų8180.6 Ų80.650%0.49741%0.408SS..  trans-69.7154.2167.766.20000111.7A1495 Q1496 R1497T1493-A1495 PolarHBondContact O-N 3.33Å; T1493-Q1496 PolarHBondContact O-N 3.37Å; T1493-Q1496 VanDerWaalsContact O-N 3.15Å; T1493-Q1496 VanDerWaalsContact OG1-CD 3.3Å; T1493-Q1496 VanDerWaalsContact OG1-CG 3.29Å; T1493-Q1496 WeakPolarHBondContact OG1-CG 3.46Å; T1493-Q1496 PolarHBondContact OG1-N 2.78Å; T1493-Q1496 PolarHBondContact OG1-OE1 3.17Å; T1493-R1497 WeakPolarHBondContact O-CD 3.42Å; T1493-R1497 PolarHBondContact O-N 3.11Å; T1493-R1497 VanDerWaalsContact O-N 3.14Å
1494N73.2Confident73.7Confident128 Ų12876.6 Ų76.668%0.68439%0.393SS*.Hα-helixtrans-61.5-29.7177.3-76-30.6000113.3R1497 S1498N1494-R1497 PolarHBondContact O-N 3.42Å; N1494-S1498 PolarHBondContact O-N 3.26Å
1495A70.1Confident74.7Confident77 Ų7775.9 Ų75.964%0.63639%0.391SS*.Hα-helixtrans-66.1-43.9174.600000111.8T1493 R1497 S1498 G1499T1493-A1495 PolarHBondContact O-N 3.33Å; A1495-R1497 VanDerWaalsContact C-N 3.31Å; A1495-R1497 PolarHBondContact O-N 3.15Å; A1495-S1498 WeakPolarHBondContact O-CB 3.39Å; A1495-S1498 PolarHBondContact O-N 3.47Å; A1495-S1498 VanDerWaalsContact O-N 3.1Å; A1495-G1499 PolarHBondContact O-N 2.95Å; A1495-G1499 VanDerWaalsContact O-N 3.12Å
1496Q73.2Confident75.6Confident99 Ų9973.8 Ų73.846%0.46338%0.379SS..Hα-helixtrans-60.8-39.5174.3-74.7163.9-38.200111.5L1492 T1493 S1498 G1499 L1500L1492-Q1496 HydrophobicContact CB-CB 4.21Å; L1492-Q1496 HydrophobicContact CD1-CB 4.41Å; L1492-Q1496 HydrophobicContact CD2-CB 4.47Å; T1493-Q1496 PolarHBondContact O-N 3.37Å; T1493-Q1496 VanDerWaalsContact O-N 3.15Å; T1493-Q1496 VanDerWaalsContact OG1-CD 3.3Å; T1493-Q1496 VanDerWaalsContact OG1-CG 3.29Å; T1493-Q1496 WeakPolarHBondContact OG1-CG 3.46Å; T1493-Q1496 PolarHBondContact OG1-N 2.78Å; T1493-Q1496 PolarHBondContact OG1-OE1 3.17Å; Q1496-S1498 VanDerWaalsContact C-N 3.34Å; Q1496-S1498 PolarHBondContact O-N 3.08Å; Q1496-G1499 WeakPolarHBondContact O-CA 3.4Å; Q1496-G1499 PolarHBondContact O-N 3.49Å; Q1496-L1500 PolarHBondContact O-N 3.04Å
1497R72.1Confident76.5Confident53 Ų5373.5 Ų73.520%0.237%0.369CS..Hα-helixtrans-63-35.7172.5-88.3109.278.9101-162.5113.8R827 T1493 N1494 A1495 G1499 L1500 N1501R827-R1497 VanDerWaalsContact CZ-NH1 3.32Å; T1493-R1497 WeakPolarHBondContact O-CD 3.42Å; T1493-R1497 PolarHBondContact O-N 3.11Å; T1493-R1497 VanDerWaalsContact O-N 3.14Å; N1494-R1497 PolarHBondContact O-N 3.42Å; A1495-R1497 VanDerWaalsContact C-N 3.31Å; A1495-R1497 PolarHBondContact O-N 3.15Å; R1497-G1499 PolarHBondContact O-N 3.2Å; R1497-L1500 PolarHBondContact O-N 3.31Å; R1497-N1501 PolarHBondContact O-N 3.1Å; R1497-N1501 PolarHBondContact O-ND2 3.41Å; R1497-N1501 VanDerWaalsContact O-ND2 3.16Å
1498S74Confident77.6Confident40 Ų4071.8 Ų71.828%0.2836%0.361SS..Hα-helixtrans-64.9-31.1171.9-1720000112S1227 N1494 A1495 Q1496S1227-S1498 WeakPolarHBondContact CB-OG 3.43Å; S1227-S1498 PolarHBondContact OG-OG 3.21Å; N1494-S1498 PolarHBondContact O-N 3.26Å; A1495-S1498 WeakPolarHBondContact O-CB 3.39Å; A1495-S1498 PolarHBondContact O-N 3.47Å; A1495-S1498 VanDerWaalsContact O-N 3.1Å; Q1496-S1498 VanDerWaalsContact C-N 3.34Å; Q1496-S1498 PolarHBondContact O-N 3.08Å
1499G73.1Confident78.7Confident36 Ų3668.4 Ų68.437%0.37135%0.346SS..Hα-helixtrans-68.7-44.9171.600000112.4A1495 Q1496 R1497 N1501 Q1502A1495-G1499 PolarHBondContact O-N 2.95Å; A1495-G1499 VanDerWaalsContact O-N 3.12Å; Q1496-G1499 WeakPolarHBondContact O-CA 3.4Å; Q1496-G1499 PolarHBondContact O-N 3.49Å; R1497-G1499 PolarHBondContact O-N 3.2Å; G1499-N1501 PolarHBondContact O-N 3.38Å; G1499-Q1502 WeakPolarHBondContact O-CB 3.4Å; G1499-Q1502 PolarHBondContact O-N 3.43Å; G1499-Q1502 VanDerWaalsContact O-N 3.07Å
1500L74.7Confident79.8Confident30 Ų3060.1 Ų60.116%0.15731%0.313CS..Hα-helixtrans-59.5-43.5177.6-71.5173.6000112.5F1483 M1487 L1492 Q1496 R1497 Q1502 I1503 P1504F1483-L1500 HydrophobicContact CE1-CD2 4.17Å; M1487-L1500 HydrophobicContact CB-CD1 4.01Å; M1487-L1500 HydrophobicContact CB-CD2 4.03Å; M1487-L1500 HydrophobicContact CG-CD2 4.49Å; L1492-L1500 HydrophobicContact CD1-CD1 3.41Å; L1492-L1500 VanDerWaalsContact CD1-CD1 3.41Å; L1492-L1500 HydrophobicContact CD1-CG 4.49Å; Q1496-L1500 PolarHBondContact O-N 3.04Å; R1497-L1500 PolarHBondContact O-N 3.31Å; L1500-Q1502 PolarHBondContact O-N 3.04Å; L1500-Q1502 VanDerWaalsContact O-N 3.08Å; L1500-I1503 HydrophobicContact CD2-CD1 4.05Å; L1500-I1503 PolarHBondContact O-N 3.14Å; L1500-I1503 VanDerWaalsContact O-N 3.08Å; L1500-P1504 WeakPolarHBondContact O-CD 3.31Å
1501N78.8Confident80.8Confident53 Ų5354.1 Ų54.128%0.28329%0.287SS..THydrogen-bonded Turntrans-65.3-12.9178-69.8-46.1000114.1S1227 R1497 G1499S1227-N1501 WeakPolarHBondContact O-CB 3.33Å; R1497-N1501 PolarHBondContact O-N 3.1Å; R1497-N1501 PolarHBondContact O-ND2 3.41Å; R1497-N1501 VanDerWaalsContact O-ND2 3.16Å; G1499-N1501 PolarHBondContact O-N 3.38Å
1502Q79.4Confident81.8Confident92 Ų9244 Ų4443%0.4324%0.243SC..THydrogen-bonded Turntrans-80.9-23.5174.5-69179.7300112.6G1499 L1500 N1505 R1506G1499-Q1502 WeakPolarHBondContact O-CB 3.4Å; G1499-Q1502 PolarHBondContact O-N 3.43Å; G1499-Q1502 VanDerWaalsContact O-N 3.07Å; L1500-Q1502 PolarHBondContact O-N 3.04Å; L1500-Q1502 VanDerWaalsContact O-N 3.08Å; Q1502-N1505 PolarHBondContact O-N 3.38Å; Q1502-R1506 WeakPolarHBondContact O-CG 3.46Å; Q1502-R1506 PolarHBondContact O-N 3.47Å
1503I79.6Confident82.8Confident48 Ų4842.5 Ų42.525%0.24624%0.236CC..Hα-helixtrans-60.3-49.4-175.3-59.3170.8000111.1F1483 E1484 L1500 N1505 R1506 R1507F1483-I1503 HydrophobicContact CE1-CD1 4.35Å; E1484-I1503 WeakPolarHBondContact OE1-CG2 3.4Å; L1500-I1503 HydrophobicContact CD2-CD1 4.05Å; L1500-I1503 PolarHBondContact O-N 3.14Å; L1500-I1503 VanDerWaalsContact O-N 3.08Å; I1503-N1505 VanDerWaalsContact C-N 3.28Å; I1503-N1505 PolarHBondContact O-N 3.38Å; I1503-R1506 WeakPolarHBondContact O-CB 3.34Å; I1503-R1506 PolarHBondContact O-N 3.23Å; I1503-R1507 PolarHBondContact O-N 2.89Å
1504P82.9Confident83.4Confident26 Ų2638.8 Ų38.817%0.16921%0.213CC..Hα-helixtrans-62.7-33.2177.4-25.837000113.4T1229 E1484 L1500 R1506 R1507 F1508T1229-P1504 HydrophobicContact CG2-CB 3.84Å; T1229-P1504 HydrophobicContact CG2-CG 3.79Å; E1484-P1504 WeakPolarHBondContact OE1-CD 3.37Å; E1484-P1504 WeakPolarHBondContact OE1-CG 3.43Å; L1500-P1504 WeakPolarHBondContact O-CD 3.31Å; P1504-R1506 VanDerWaalsContact C-N 3.34Å; P1504-R1507 PolarHBondContact O-N 3.26Å; P1504-F1508 WeakPolarHBondContact O-CB 3.2Å; P1504-F1508 PolarHBondContact O-N 2.82Å
1505N88.4Confident84.3Confident17 Ų1732.7 Ų32.79%0.09118%0.181CC..Hα-helixtrans-69.8-33.1176.1-68-17.3000111.7T1228 T1229 F1230 Q1502 I1503 T1509T1228-N1505 PolarHBondContact O-ND2 3.37Å; T1229-N1505 VanDerWaalsContact CA-OD1 3.24Å; T1229-N1505 WeakPolarHBondContact CA-OD1 3.28Å; F1230-N1505 HydrophobicContact CD2-CB 4.25Å; F1230-N1505 HydrophobicContact CE2-CB 3.95Å; F1230-N1505 WeakPolarHBondContact CG-OD1 3.44Å; F1230-N1505 HydrophobicContact CZ-CB 4.25Å; F1230-N1505 PolarHBondContact N-OD1 2.87Å; Q1502-N1505 PolarHBondContact O-N 3.38Å; I1503-N1505 VanDerWaalsContact C-N 3.28Å; I1503-N1505 PolarHBondContact O-N 3.38Å; N1505-T1509 WeakPolarHBondContact O-CB 3.46Å; N1505-T1509 PolarHBondContact O-N 2.94Å; N1505-T1509 PolarHBondContact O-OG1 3.3Å
1506R88.3Confident85.3Confident40 Ų4029.1 Ų29.115%0.15115%0.151CC..Hα-helixtrans-69-41.9175-71.5179.564.7-146-16.1111.5Q1502 I1503 P1504 T1509 L1510 T1542 I1545 S1546Q1502-R1506 WeakPolarHBondContact O-CG 3.46Å; Q1502-R1506 PolarHBondContact O-N 3.47Å; I1503-R1506 WeakPolarHBondContact O-CB 3.34Å; I1503-R1506 PolarHBondContact O-N 3.23Å; P1504-R1506 VanDerWaalsContact C-N 3.34Å; R1506-T1509 PolarHBondContact O-N 3.4Å; R1506-L1510 WeakPolarHBondContact O-CB 3.47Å; R1506-L1510 PolarHBondContact O-N 3.03Å; R1506-T1542 HydrophobicContact CG-CG2 4.24Å; R1506-I1545 VanDerWaalsContact CZ-CG2 3.41Å; R1506-S1546 PolarHBondContact NE-OG 3.4Å; R1506-S1546 VanDerWaalsContact NH2-CA 3.32Å; R1506-S1546 PolarHBondContact NH2-OG 2.92Å
1507R89.3Confident86.1Confident50 Ų5024.8 Ų24.819%0.18913%0.131CC..Hα-helixtrans-56.2-53171.6-179.3174.871.4177.816.9110.8W1477 E1478 I1503 P1504 T1509 L1510 W1511 L1725W1477-R1507 HydrophobicContact CZ3-CG 4.35Å; E1478-R1507 PolarHBondContact O-NH1 3.47Å; I1503-R1507 PolarHBondContact O-N 2.89Å; P1504-R1507 PolarHBondContact O-N 3.26Å; R1507-T1509 VanDerWaalsContact C-N 3.35Å; R1507-T1509 PolarHBondContact O-N 2.9Å; R1507-L1510 PolarHBondContact O-N 2.95Å; R1507-L1510 VanDerWaalsContact O-N 3.14Å; R1507-W1511 PolarHBondContact O-N 2.82Å; R1507-L1725 WeakPolarHBondContact CD-O 3.17Å; R1507-L1725 WeakPolarHBondContact CG-O 3.49Å
1508F91.8Very high86.8Confident14 Ų1423.8 Ų23.86%0.06113%0.127CC..Hα-helixtrans-56.3-45175.9177.9-95.6000112.9F1230 V1289 L1299 P1504 L1510 W1511 W1512F1230-F1508 AromaticContact CD2-CD1 3.61Å; F1230-F1508 HydrophobicContact CD2-CD1 3.61Å; F1230-F1508 HydrophobicContact CD2-CE1 4.01Å; F1230-F1508 HydrophobicContact CD2-CG 4.26Å; F1230-F1508 HydrophobicContact CE2-CD1 4Å; F1230-F1508 HydrophobicContact CE2-CE1 4.44Å; V1289-F1508 HydrophobicContact CG1-CE1 4.11Å; V1289-F1508 HydrophobicContact CG1-CZ 3.56Å; L1299-F1508 HydrophobicContact CD1-CE2 4.21Å; L1299-F1508 HydrophobicContact CD1-CZ 3.87Å; L1299-F1508 HydrophobicContact CD2-CD2 3.77Å; L1299-F1508 HydrophobicContact CD2-CE2 3.42Å; L1299-F1508 VanDerWaalsContact CD2-CE2 3.42Å; L1299-F1508 HydrophobicContact CD2-CG 4.44Å; L1299-F1508 HydrophobicContact CD2-CZ 3.83Å; L1299-F1508 HydrophobicContact CG-CD2 4.32Å; L1299-F1508 HydrophobicContact CG-CE2 3.48Å; L1299-F1508 VanDerWaalsContact CG-CE2 3.48Å; L1299-F1508 HydrophobicContact CG-CZ 3.66Å; P1504-F1508 WeakPolarHBondContact O-CB 3.2Å; P1504-F1508 PolarHBondContact O-N 2.82Å; F1508-L1510 VanDerWaalsContact C-N 3.31Å; F1508-L1510 PolarHBondContact O-N 3.22Å; F1508-W1511 PolarHBondContact O-N 3.08Å; F1508-W1512 AromaticContact CD2-CD1 3.63Å; F1508-W1512 AromaticContact CD2-NE1 3.76Å; F1508-W1512 AromaticContact CE2-CD1 3.33Å; F1508-W1512 AromaticContact CE2-NE1 3.29Å; F1508-W1512 VanDerWaalsContact CE2-NE1 3.29Å; F1508-W1512 AromaticContact CZ-CD1 3.63Å; F1508-W1512 AromaticContact CZ-NE1 3.91Å; F1508-W1512 PolarHBondContact O-N 2.99Å
1509T92.7Very high87Confident0 Ų023.5 Ų23.50%013%0.127CC..Hα-helixtrans-66-35.1179.8-44.70000112L1277 N1505 R1506 R1507 S1513 I1516 I1540 T1542 L1543L1277-T1509 HydrophobicContact CD2-CG2 3.73Å; L1277-T1509 WeakPolarHBondContact CD2-OG1 3.49Å; N1505-T1509 WeakPolarHBondContact O-CB 3.46Å; N1505-T1509 PolarHBondContact O-N 2.94Å; N1505-T1509 PolarHBondContact O-OG1 3.3Å; R1506-T1509 PolarHBondContact O-N 3.4Å; R1507-T1509 VanDerWaalsContact C-N 3.35Å; R1507-T1509 PolarHBondContact O-N 2.9Å; T1509-S1513 WeakPolarHBondContact O-CA 3.5Å; T1509-S1513 WeakPolarHBondContact O-CB 3.3Å; T1509-S1513 PolarHBondContact O-N 3.44Å; T1509-I1516 HydrophobicContact CG2-CD1 4.27Å; T1509-I1540 HydrophobicContact CG2-CG2 3.93Å; T1509-T1542 PolarHBondContact OG1-OG1 3.17Å; T1509-L1543 HydrophobicContact CG2-CB 3.8Å
1510L94.3Very high87.2Confident1 Ų126.6 Ų26.61%0.00514%0.135CC..Hα-helixtrans-71.4-42.8179.4-17865.5000111.3R1506 R1507 F1508 W1512 S1513 L1543 L1547 I1550 A1724 L1725R1506-L1510 WeakPolarHBondContact O-CB 3.47Å; R1506-L1510 PolarHBondContact O-N 3.03Å; R1507-L1510 PolarHBondContact O-N 2.95Å; R1507-L1510 VanDerWaalsContact O-N 3.14Å; F1508-L1510 VanDerWaalsContact C-N 3.31Å; F1508-L1510 PolarHBondContact O-N 3.22Å; L1510-W1512 PolarHBondContact O-N 2.81Å; L1510-S1513 WeakPolarHBondContact O-CB 3.41Å; L1510-S1513 PolarHBondContact O-N 2.89Å; L1510-S1513 VanDerWaalsContact O-N 3.16Å; L1510-S1513 PolarHBondContact O-OG 2.94Å; L1510-L1543 HydrophobicContact CD1-CD1 4.27Å; L1510-L1547 HydrophobicContact CD1-CD2 4.21Å; L1510-I1550 HydrophobicContact CD1-CD1 3.76Å; L1510-I1550 HydrophobicContact CD2-CD1 3.94Å; L1510-I1550 HydrophobicContact CG-CD1 4.48Å; L1510-A1724 HydrophobicContact CD2-CB 3.57Å; L1510-L1725 HydrophobicContact CB-CD2 4.13Å; L1510-L1725 HydrophobicContact CD2-CD2 3.9Å; L1510-L1725 HydrophobicContact CD2-CG 4.09Å; L1510-L1725 HydrophobicContact CG-CD2 3.87Å; L1510-L1725 HydrophobicContact CG-CG 4.46Å
1511W95.1Very high87Confident5 Ų525.2 Ų25.22%0.01913%0.128CC..Hα-helixtrans-57.4-50.5177.3-178.5-120.9000112L1296 L1459 T1462 L1463 F1464 W1477 R1507 F1508 S1513 L1725 L1727L1296-W1511 PolarHBondContact O-NE1 3.39Å; L1459-W1511 HydrophobicContact CD2-CH2 4.05Å; L1459-W1511 HydrophobicContact CD2-CZ2 3.67Å; T1462-W1511 CarbonylContact C-O 3.59Å; T1462-W1511 VanDerWaalsContact CA-O 3.25Å; T1462-W1511 WeakPolarHBondContact CA-O 3.22Å; T1462-W1511 HydrophobicContact CG2-CD2 4.2Å; T1462-W1511 HydrophobicContact CG2-CZ2 3.8Å; L1463-W1511 PolarHBondContact N-O 3.24Å; F1464-W1511 HydrophobicContact CB-CH2 3.77Å; F1464-W1511 HydrophobicContact CB-CZ3 4.23Å; F1464-W1511 HydrophobicContact CD2-CH2 4.48Å; W1477-W1511 HydrophobicContact CH2-CB 4.3Å; W1477-W1511 AromaticContact CH2-CD2 3.5Å; W1477-W1511 HydrophobicContact CH2-CD2 3.5Å; W1477-W1511 AromaticContact CH2-CE2 3.78Å; W1477-W1511 AromaticContact CH2-CE3 3.76Å; W1477-W1511 HydrophobicContact CH2-CE3 3.76Å; W1477-W1511 AromaticContact CH2-CG 3.75Å; W1477-W1511 HydrophobicContact CH2-CG 3.75Å; W1477-W1511 HydrophobicContact CH2-CH2 4.44Å; W1477-W1511 HydrophobicContact CH2-CZ2 4.25Å; W1477-W1511 HydrophobicContact CH2-CZ3 4.23Å; W1477-W1511 AromaticContact CZ2-CD2 3.93Å; W1477-W1511 HydrophobicContact CZ2-CD2 3.93Å; W1477-W1511 AromaticContact CZ2-CE2 3.68Å; W1477-W1511 HydrophobicContact CZ2-CE3 4.34Å; W1477-W1511 HydrophobicContact CZ2-CG 4.35Å; W1477-W1511 HydrophobicContact CZ2-CH2 4.26Å; W1477-W1511 AromaticContact CZ2-CZ2 3.86Å; W1477-W1511 HydrophobicContact CZ2-CZ2 3.86Å; W1477-W1511 HydrophobicContact CZ2-CZ3 4.49Å; W1477-W1511 AromaticContact CZ2-NE1 3.99Å; R1507-W1511 PolarHBondContact O-N 2.82Å; F1508-W1511 PolarHBondContact O-N 3.08Å; W1511-S1513 PolarHBondContact O-N 3.23Å; W1511-L1725 HydrophobicContact CB-CD2 3.91Å; W1511-L1725 HydrophobicContact CE3-CD1 3.85Å; W1511-L1725 HydrophobicContact CE3-CD2 3.98Å; W1511-L1725 HydrophobicContact CZ3-CD1 4.1Å; W1511-L1727 HydrophobicContact CE3-CD1 4.2Å; W1511-L1727 HydrophobicContact CH2-CD1 4.11Å; W1511-L1727 HydrophobicContact CZ3-CD1 3.62Å
1512W95.4Very high86.4Confident0 Ų026.2 Ų26.20%013%0.128CC..THydrogen-bonded Turntrans-86.617178.6-63.4104.4000113.7V1288 V1289 T1292 G1297 I1458 H1461 T1462 F1508 L1510 T1515 I1516V1288-W1512 HydrophobicContact CG1-CZ3 4.27Å; V1288-W1512 HydrophobicContact CG2-CH2 3.85Å; V1288-W1512 HydrophobicContact CG2-CZ3 3.91Å; V1289-W1512 HydrophobicContact CG1-CD2 4.5Å; V1289-W1512 HydrophobicContact CG1-CG 4.29Å; V1289-W1512 HydrophobicContact CG2-CD2 4.16Å; V1289-W1512 HydrophobicContact CG2-CE3 3.97Å; V1289-W1512 HydrophobicContact CG2-CG 4.46Å; T1292-W1512 HydrophobicContact CG2-CH2 4.13Å; T1292-W1512 HydrophobicContact CG2-CZ2 4.08Å; G1297-W1512 PolarHBondContact O-NE1 3.16Å; I1458-W1512 HydrophobicContact CG2-CH2 4.02Å; H1461-W1512 HydrophobicContact CB-CE3 4.08Å; H1461-W1512 HydrophobicContact CB-CZ3 3.72Å; T1462-W1512 HydrophobicContact CG2-CD2 4.42Å; T1462-W1512 HydrophobicContact CG2-CE3 3.89Å; T1462-W1512 HydrophobicContact CG2-CH2 3.98Å; T1462-W1512 HydrophobicContact CG2-CZ2 4.47Å; T1462-W1512 HydrophobicContact CG2-CZ3 3.67Å; F1508-W1512 AromaticContact CD2-CD1 3.63Å; F1508-W1512 AromaticContact CD2-NE1 3.76Å; F1508-W1512 AromaticContact CE2-CD1 3.33Å; F1508-W1512 AromaticContact CE2-NE1 3.29Å; F1508-W1512 VanDerWaalsContact CE2-NE1 3.29Å; F1508-W1512 AromaticContact CZ-CD1 3.63Å; F1508-W1512 AromaticContact CZ-NE1 3.91Å; F1508-W1512 PolarHBondContact O-N 2.99Å; L1510-W1512 PolarHBondContact O-N 2.81Å; W1512-T1515 PolarHBondContact O-N 3.02Å; W1512-I1516 HydrophobicContact CB-CD1 3.63Å; W1512-I1516 HydrophobicContact CB-CG1 4.1Å; W1512-I1516 WeakPolarHBondContact O-CB 3.48Å; W1512-I1516 WeakPolarHBondContact O-CG1 3.47Å; W1512-I1516 PolarHBondContact O-N 3.33Å
1513S93.5Very high86.2Confident3 Ų322.2 Ų22.22%0.02111%0.11CC..Hα-helixtrans-62.9-36.4-172.2640000114.9L1463 T1509 L1510 W1511 T1515 I1516 N1517 L1543L1463-S1513 WeakPolarHBondContact CD1-OG 3.39Å; T1509-S1513 WeakPolarHBondContact O-CA 3.5Å; T1509-S1513 WeakPolarHBondContact O-CB 3.3Å; T1509-S1513 PolarHBondContact O-N 3.44Å; L1510-S1513 WeakPolarHBondContact O-CB 3.41Å; L1510-S1513 PolarHBondContact O-N 2.89Å; L1510-S1513 VanDerWaalsContact O-N 3.16Å; L1510-S1513 PolarHBondContact O-OG 2.94Å; W1511-S1513 PolarHBondContact O-N 3.23Å; S1513-T1515 PolarHBondContact O-N 3.22Å; S1513-I1516 PolarHBondContact O-N 3.06Å; S1513-N1517 VanDerWaalsContact O-CB 3.32Å; S1513-N1517 WeakPolarHBondContact O-CB 3.39Å; S1513-N1517 PolarHBondContact O-N 2.91Å; S1513-L1543 VanDerWaalsContact CB-CD1 3.47Å
1514P92.7Very high85.8Confident3 Ų320 Ų202%0.01910%0.1CC..Hα-helixtrans-60.4-34176.3-25.837.7000113.1Y1645 Y1683P1514-Y1645 PolarHBondContact O-N 2.92Å; P1514-Y1683 HydrophobicContact CB-CE2 4.5Å; P1514-Y1683 WeakPolarHBondContact CB-OH 3.08Å
1515T90.9Very high85.6Confident0 Ų020.2 Ų20.20%010%0.098CC..Hα-helixtrans-84.4-41.6178.3-61.20000112.6P1286 V1289 H1461 W1512 S1513 R1518P1286-T1515 HydrophobicContact CG-CG2 3.49Å; P1286-T1515 VanDerWaalsContact CG-CG2 3.49Å; V1289-T1515 HydrophobicContact CG2-CG2 4.28Å; H1461-T1515 WeakPolarHBondContact CA-OG1 3.5Å; H1461-T1515 VanDerWaalsContact CB-OG1 3.3Å; H1461-T1515 WeakPolarHBondContact CB-OG1 3.18Å; H1461-T1515 PolarHBondContact ND1-OG1 3.17Å; H1461-T1515 VanDerWaalsContact ND1-OG1 3.11Å; H1461-T1515 PolarHBondContact O-OG1 3.23Å; W1512-T1515 PolarHBondContact O-N 3.02Å; S1513-T1515 PolarHBondContact O-N 3.22Å; T1515-R1518 WeakPolarHBondContact O-CB 3.14Å; T1515-R1518 WeakPolarHBondContact O-CD 3.26Å; T1515-R1518 WeakPolarHBondContact O-CG 3.49Å
1516I90.7Very high85.2Confident1 Ų123.5 Ų23.51%0.00511%0.113CC..Hα-helixtrans-70.9-33.8-178.3-68.4171.5000111.6L1277 R1284 T1509 W1512 S1513 I1540L1277-I1516 HydrophobicContact CD1-CD1 4.01Å; R1284-I1516 VanDerWaalsContact CD-O 3.28Å; R1284-I1516 WeakPolarHBondContact CD-O 3.3Å; R1284-I1516 WeakPolarHBondContact CG-O 3.36Å; R1284-I1516 PolarHBondContact NH1-O 3.49Å; T1509-I1516 HydrophobicContact CG2-CD1 4.27Å; W1512-I1516 HydrophobicContact CB-CD1 3.63Å; W1512-I1516 HydrophobicContact CB-CG1 4.1Å; W1512-I1516 WeakPolarHBondContact O-CB 3.48Å; W1512-I1516 WeakPolarHBondContact O-CG1 3.47Å; W1512-I1516 PolarHBondContact O-N 3.33Å; S1513-I1516 PolarHBondContact O-N 3.06Å; I1516-I1540 HydrophobicContact CG2-CD1 3.58Å; I1516-I1540 HydrophobicContact CG2-CG1 4.47Å
1517N89.8Confident84.7Confident9 Ų923.9 Ų23.95%0.04812%0.119CC..THydrogen-bonded Turntrans-106.133.1179.2-16848.9000113.1S1513 F1535 M1536 H1537 L1543S1513-N1517 VanDerWaalsContact O-CB 3.32Å; S1513-N1517 WeakPolarHBondContact O-CB 3.39Å; S1513-N1517 PolarHBondContact O-N 2.91Å; N1517-F1535 PolarHBondContact ND2-O 2.84Å; N1517-M1536 WeakPolarHBondContact OD1-CA 3.49Å; N1517-H1537 PolarHBondContact O-CD2 3.41Å; N1517-H1537 PolarHBondContact OD1-N 2.91Å; N1517-L1543 HydrophobicContact CB-CD2 3.65Å
1518R87.7Confident84.4Confident31 Ų3124.9 Ų24.912%0.11713%0.126CC..  trans-69.4156.8179.678.4-171.8-68.7170.93.3114.4A1283 T1515 V1521 H1537 D1644 D1646A1283-R1518 WeakPolarHBondContact O-CD 3.35Å; A1283-R1518 PolarHBondContact O-NH1 3.06Å; T1515-R1518 WeakPolarHBondContact O-CB 3.14Å; T1515-R1518 WeakPolarHBondContact O-CD 3.26Å; T1515-R1518 WeakPolarHBondContact O-CG 3.49Å; R1518-V1521 WeakPolarHBondContact O-CG1 3.49Å; R1518-H1537 PolarHBondContact O-CD2 3.24Å; R1518-D1644 VanDerWaalsContact C-OD2 3.28Å; R1518-D1644 WeakPolarHBondContact CA-OD2 3.45Å; R1518-D1646 VanDerWaalsContact CB-OD2 3.22Å; R1518-D1646 WeakPolarHBondContact CB-OD2 3.4Å; R1518-D1646 WeakPolarHBondContact CG-OD2 3.31Å; R1518-D1646 IonicContact CZ-OD1 2.82Å; R1518-D1646 IonicContact CZ-OD2 2.69Å; R1518-D1646 IonicContact NE-OD1 2.73Å; R1518-D1646 PolarHBondContact NE-OD1 3.12Å; R1518-D1646 IonicContact NE-OD2 3.32Å; R1518-D1646 PolarHBondContact NE-OD2 3.15Å; R1518-D1646 IonicContact NH2-OD1 2.7Å; R1518-D1646 PolarHBondContact NH2-OD1 2.8Å; R1518-D1646 IonicContact NH2-OD2 2.86Å
1519A79.1Confident84Confident35 Ų3524.4 Ų24.429%0.28912%0.124SC..SBendtrans-77.1-31.7-179.200000113.1V1521 D1644 D1646A1519-V1521 PolarHBondContact O-N 2.92Å; A1519-D1644 WeakPolarHBondContact CA-OD2 3.45Å; A1519-D1644 VanDerWaalsContact CB-OD2 3.23Å; A1519-D1644 WeakPolarHBondContact CB-OD2 3.36Å; A1519-D1644 PolarHBondContact N-OD2 2.81Å; A1519-D1646 HydrophobicContact CB-CB 4.48Å; A1519-D1646 PolarHBondContact N-OD2 2.81Å
1520N76Confident83.3Confident100 Ų10030 Ų3054%0.53515%0.154SC..  trans-75.959.4177.1-167.77.5000111.7D1646N1520-D1646 WeakPolarHBondContact CA-OD2 3.13Å; N1520-D1646 HydrophobicContact CB-CB 4.48Å; N1520-D1646 VanDerWaalsContact CB-CG 3.46Å; N1520-D1646 WeakPolarHBondContact CB-OD2 3.38Å; N1520-D1646 PolarHBondContact N-OD2 3.02Å
1521V70.5Confident82.8Confident1 Ų133.6 Ų33.61%0.00617%0.173CC..  trans-91.7132.6175.8-73.30000110.4Q559 M1281 R1284 R1518 A1519 V1523 H1537Q559-V1521 PolarHBondContact NE2-O 3.37Å; M1281-V1521 HydrophobicContact CE-CB 4.11Å; M1281-V1521 HydrophobicContact SD-CB 3.72Å; M1281-V1521 HydrophobicContact SD-CG1 3.87Å; R1284-V1521 HydrophobicContact CG-CG1 4.42Å; R1284-V1521 VanDerWaalsContact NH2-CG1 3.27Å; R1518-V1521 WeakPolarHBondContact O-CG1 3.49Å; A1519-V1521 PolarHBondContact O-N 2.92Å; V1521-V1523 PolarHBondContact O-N 3.31Å; V1521-H1537 HydrophobicContact CG1-CB 4.06Å; V1521-H1537 HydrophobicContact CG2-CB 3.99Å
1522Y67.4Low82.5Confident74 Ų7433.8 Ų33.829%0.2917%0.174SC..SBendtrans-54.3-39.5176.5-171.9-101.5000112.3M571 R575 K578 M1281M571-Y1522 HydrophobicContact CE-CD1 3.74Å; M571-Y1522 HydrophobicContact CE-CE1 3.58Å; R575-Y1522 WeakPolarHBondContact CB-OH 3.41Å; R575-Y1522 VanDerWaalsContact CD-OH 3.3Å; R575-Y1522 WeakPolarHBondContact CD-OH 3.32Å; R575-Y1522 HydrophobicContact CG-CE1 3.85Å; R575-Y1522 WeakPolarHBondContact CG-OH 3.43Å; K578-Y1522 HydrophobicContact CD-CD2 4.21Å; K578-Y1522 HydrophobicContact CD-CE2 3.68Å; K578-Y1522 WeakPolarHBondContact CE-O 3.27Å; K578-Y1522 PolarHBondContact NZ-O 3.46Å; M1281-Y1522 PolarHBondContact SD-N 3.01Å
1523V74.3Confident82Confident9 Ų933.9 Ų33.96%0.05518%0.176CC..SBendtrans-153.9131.3175.9168.80000108.6G558 Y564 M571 I574 M1281 V1521G558-V1523 WeakPolarHBondContact O-CG1 3.49Å; Y564-V1523 HydrophobicContact CD1-CG1 3.3Å; Y564-V1523 HydrophobicContact CD2-CG1 3.62Å; Y564-V1523 HydrophobicContact CE1-CG1 3.4Å; Y564-V1523 HydrophobicContact CE2-CG1 3.69Å; Y564-V1523 HydrophobicContact CG-CG1 3.44Å; Y564-V1523 VanDerWaalsContact CG-CG1 3.44Å; M571-V1523 HydrophobicContact CE-CB 4.24Å; M571-V1523 HydrophobicContact CE-CG2 3.6Å; M571-V1523 HydrophobicContact SD-CB 4.11Å; M571-V1523 HydrophobicContact SD-CG1 4.01Å; M571-V1523 HydrophobicContact SD-CG2 3.69Å; I574-V1523 HydrophobicContact CD1-CG1 4.47Å; I574-V1523 HydrophobicContact CD1-CG2 4.23Å; I574-V1523 HydrophobicContact CG2-CG2 3.69Å; M1281-V1523 VanDerWaalsContact CE-N 3.31Å; M1281-V1523 WeakPolarHBondContact CE-O 3.32Å; V1521-V1523 PolarHBondContact O-N 3.31Å
1524G71.2Confident81.9Confident2 Ų233.8 Ų33.82%0.02118%0.175CC..  trans176.4103.8-174.100000111.7G558 Y564 Q1526G558-G1524 PolarHBondContact O-N 3.2Å; Y564-G1524 VanDerWaalsContact OH-CA 3.3Å; Y564-G1524 WeakPolarHBondContact OH-CA 3.3Å; G1524-Q1526 PolarHBondContact O-N 2.96Å
1525F78.2Confident81.6Confident30 Ų3036.6 Ų36.613%0.13219%0.187CC..  trans-66.6123.5170177.1-103000109.9Q559 L560 Y564 R565 V1527 G1538Q559-F1525 WeakPolarHBondContact O-CA 3.36Å; L560-F1525 WeakPolarHBondContact O-CD2 3.11Å; L560-F1525 VanDerWaalsContact O-CE2 3.29Å; L560-F1525 WeakPolarHBondContact O-CE2 3.38Å; Y564-F1525 PolarHBondContact OH-N 3.18Å; Y564-F1525 VanDerWaalsContact OH-N 3.11Å; R565-F1525 PolarHBondContact NH2-O 2.99Å; F1525-V1527 HydrophobicContact CD1-CG2 3.61Å; F1525-V1527 HydrophobicContact CE1-CG2 3.81Å; F1525-G1538 PolarHBondContact O-N 3.23Å
1526Q79.6Confident81.3Confident86 Ų8637.1 Ų37.140%0.40219%0.19SC..EExtended strand (participates in β ladder)trans-69.4128.1178.8-174.5171.1-16.300109.4G1524 F1535G1524-Q1526 PolarHBondContact O-N 2.96Å; Q1526-F1535 HydrophobicContact CG-CB 3.84Å; Q1526-F1535 HydrophobicContact CG-CD1 3.52Å; Q1526-F1535 HydrophobicContact CG-CE1 4.3Å; Q1526-F1535 HydrophobicContact CG-CG 3.87Å
1527V78.6Confident80.9Confident48 Ų4838 Ų3829%0.29119%0.193SC..EExtended strand (participates in β ladder)trans-130.5119.5178.8-179.30000108.3F1525 M1536F1525-V1527 HydrophobicContact CD1-CG2 3.61Å; F1525-V1527 HydrophobicContact CE1-CG2 3.81Å; V1527-M1536 PolarHBondContact N-O 2.97Å; V1527-M1536 PolarHBondContact O-N 3.48Å
1528Q83.1Confident80.1Confident70 Ų7037.9 Ų37.933%0.32720%0.195SC..EExtended strand (participates in β ladder)trans-70.8141.6172.2-170175.6-7.200110.9T1532 I1534 F1535 Y1594Q1528-T1532 WeakPolarHBondContact CG-O 3.34Å; Q1528-T1532 PolarHBondContact NE2-O 2.92Å; Q1528-I1534 CarbonylContact C-O 3.59Å; Q1528-I1534 WeakPolarHBondContact CA-O 3.33Å; Q1528-F1535 HydrophobicContact CB-CD1 4.07Å; Q1528-F1535 HydrophobicContact CB-CE1 4.01Å; Q1528-F1535 HydrophobicContact CG-CE1 4.32Å; Q1528-Y1594 PolarHBondContact NE2-O 2.99Å
1529L83.6Confident79.7Confident5 Ų542.1 Ų42.13%0.02621%0.214CC..PPolyproline II helixtrans-81.3142171.6-75-178.1000111.2L1531 T1532 I1534 M1536 K1544 L1547L1529-L1531 PolarHBondContact O-N 2.9Å; L1529-T1532 WeakPolarHBondContact CB-OG1 3.24Å; L1529-T1532 PolarHBondContact O-N 3.32Å; L1529-T1532 VanDerWaalsContact O-O 3.04Å; L1529-T1532 PolarHBondContact O-OG1 2.73Å; L1529-T1532 VanDerWaalsContact O-OG1 3.06Å; L1529-I1534 HydrophobicContact CD1-CB 4.27Å; L1529-I1534 HydrophobicContact CD1-CG2 4.38Å; L1529-I1534 PolarHBondContact N-O 3.07Å; L1529-M1536 HydrophobicContact CD1-CG 4.32Å; L1529-M1536 HydrophobicContact CD2-CE 3.97Å; L1529-M1536 HydrophobicContact CD2-CG 4.23Å; L1529-M1536 HydrophobicContact CD2-SD 4.11Å; L1529-M1536 HydrophobicContact CG-CG 4.07Å; L1529-M1536 HydrophobicContact CG-SD 4.47Å; L1529-K1544 HydrophobicContact CD2-CD 3.77Å; L1529-K1544 HydrophobicContact CD2-CG 3.79Å; L1529-L1547 HydrophobicContact CD1-CB 3.88Å; L1529-L1547 HydrophobicContact CD1-CD1 4.02Å
1530D76.8Confident80Confident118 Ų11840.7 Ų40.763%0.63120%0.201SC*.THydrogen-bonded Turntrans-55132.2-178.5-46.2-33000111.3T1532D1530-T1532 PolarHBondContact O-N 3.08Å
1531L83.9Confident80.3Confident76 Ų7639.5 Ų39.540%0.39820%0.199SC..THydrogen-bonded Turntrans60.421.1178.8-52.2173.2000115.4L1529 Y1594L1529-L1531 PolarHBondContact O-N 2.9Å; L1531-Y1594 HydrophobicContact CD2-CE1 4.25Å; L1531-Y1594 WeakPolarHBondContact CD2-OH 3.41Å
1532T88.8Confident81Confident8 Ų840.5 Ų40.55%0.04921%0.205CC..SBendtrans-142157.6178.366.60000110.8Q1528 L1529 D1530 I1534 F1551 Y1594Q1528-T1532 WeakPolarHBondContact CG-O 3.34Å; Q1528-T1532 PolarHBondContact NE2-O 2.92Å; L1529-T1532 WeakPolarHBondContact CB-OG1 3.24Å; L1529-T1532 PolarHBondContact O-N 3.32Å; L1529-T1532 VanDerWaalsContact O-O 3.04Å; L1529-T1532 PolarHBondContact O-OG1 2.73Å; L1529-T1532 VanDerWaalsContact O-OG1 3.06Å; D1530-T1532 PolarHBondContact O-N 3.08Å; T1532-I1534 PolarHBondContact O-N 3.07Å; T1532-F1551 HydrophobicContact CG2-CB 3.68Å; T1532-F1551 HydrophobicContact CG2-CG 4.03Å; T1532-Y1594 VanDerWaalsContact C-CB 3.49Å
1533G86.2Confident82.1Confident3 Ų337 Ų373%0.03119%0.192CC..  trans-8010.4171.300000115F1535G1533-F1535 PolarHBondContact O-N 3.08Å
1534I90.7Very high82.8Confident1 Ų140 Ų401%0.00520%0.204CC..  trans-84.4122.4-170.5-53.2176.8000111.2Q1528 L1529 T1532 L1547 F1551 W1556 W1642Q1528-I1534 CarbonylContact C-O 3.59Å; Q1528-I1534 WeakPolarHBondContact CA-O 3.33Å; L1529-I1534 HydrophobicContact CD1-CB 4.27Å; L1529-I1534 HydrophobicContact CD1-CG2 4.38Å; L1529-I1534 PolarHBondContact N-O 3.07Å; T1532-I1534 PolarHBondContact O-N 3.07Å; I1534-L1547 HydrophobicContact CD1-CB 4.32Å; I1534-L1547 HydrophobicContact CD1-CD1 4.32Å; I1534-L1547 HydrophobicContact CD1-CD2 4.18Å; I1534-L1547 HydrophobicContact CG2-CD1 4.07Å; I1534-F1551 HydrophobicContact CD1-CD2 3.71Å; I1534-F1551 HydrophobicContact CD1-CE2 3.53Å; I1534-F1551 HydrophobicContact CD1-CZ 4.34Å; I1534-W1556 HydrophobicContact CG1-CZ3 4.09Å; I1534-W1642 HydrophobicContact CB-CB 4.49Å; I1534-W1642 HydrophobicContact CD1-CD2 4.04Å; I1534-W1642 HydrophobicContact CD1-CE3 4.37Å; I1534-W1642 HydrophobicContact CD1-CG 4.13Å; I1534-W1642 HydrophobicContact CG1-CB 3.78Å; I1534-W1642 HydrophobicContact CG1-CD2 4.21Å; I1534-W1642 HydrophobicContact CG1-CG 3.8Å; I1534-W1642 HydrophobicContact CG2-CG 4.19Å
1535F87.4Confident83.6Confident62 Ų6243.6 Ų43.627%0.27222%0.222SC..EExtended strand (participates in β ladder)trans-90.9120.1173.7-65.9-67.1000111.9N1517 Q1526 Q1528 G1533 M1596N1517-F1535 PolarHBondContact ND2-O 2.84Å; Q1526-F1535 HydrophobicContact CG-CB 3.84Å; Q1526-F1535 HydrophobicContact CG-CD1 3.52Å; Q1526-F1535 HydrophobicContact CG-CE1 4.3Å; Q1526-F1535 HydrophobicContact CG-CG 3.87Å; Q1528-F1535 HydrophobicContact CB-CD1 4.07Å; Q1528-F1535 HydrophobicContact CB-CE1 4.01Å; Q1528-F1535 HydrophobicContact CG-CE1 4.32Å; G1533-F1535 PolarHBondContact O-N 3.08Å; F1535-M1596 HydrophobicContact CE2-CB 4.31Å; F1535-M1596 HydrophobicContact CE2-CG 3.94Å; F1535-M1596 HydrophobicContact CZ-CB 3.89Å; F1535-M1596 HydrophobicContact CZ-CG 3.79Å
1536M83.1Confident84Confident11 Ų1142.4 Ų42.45%0.05422%0.217CC..EExtended strand (participates in β ladder)trans-92.3115168.3-69.2-152.3-47.200110.9N1517 V1527 L1529 G1538 K1544N1517-M1536 WeakPolarHBondContact OD1-CA 3.49Å; V1527-M1536 PolarHBondContact N-O 2.97Å; V1527-M1536 PolarHBondContact O-N 3.48Å; L1529-M1536 HydrophobicContact CD1-CG 4.32Å; L1529-M1536 HydrophobicContact CD2-CE 3.97Å; L1529-M1536 HydrophobicContact CD2-CG 4.23Å; L1529-M1536 HydrophobicContact CD2-SD 4.11Å; L1529-M1536 HydrophobicContact CG-CG 4.07Å; L1529-M1536 HydrophobicContact CG-SD 4.47Å; M1536-G1538 PolarHBondContact O-N 3.08Å; M1536-K1544 HydrophobicContact CE-CB 3.96Å; M1536-K1544 HydrophobicContact CE-CD 3.79Å; M1536-K1544 HydrophobicContact CE-CG 4.19Å; M1536-K1544 HydrophobicContact SD-CB 3.77Å; M1536-K1544 HydrophobicContact SD-CG 4.37Å
1537H82.1Confident84.6Confident18 Ų1838.4 Ų38.48%0.08320%0.198CC..EExtended strand (participates in β ladder)trans-79.7101.2169.7-60.8-77.9000107.3R1284 N1517 R1518 V1521R1284-H1537 PolarHBondContact NH1-O 3.38Å; R1284-H1537 PolarHBondContact NH2-O 3.16Å; N1517-H1537 PolarHBondContact O-CD2 3.41Å; N1517-H1537 PolarHBondContact OD1-N 2.91Å; R1518-H1537 PolarHBondContact O-CD2 3.24Å; V1521-H1537 HydrophobicContact CG1-CB 4.06Å; V1521-H1537 HydrophobicContact CG2-CB 3.99Å
1538G74.9Confident85.1Confident7 Ų740.1 Ų40.17%0.07221%0.205CC..SBendtrans83.9-169.4-177.100000114.8F1525 M1536F1525-G1538 PolarHBondContact O-N 3.23Å; M1536-G1538 PolarHBondContact O-N 3.08Å
1539K78.3Confident85.2Confident121 Ų12141.7 Ų41.753%0.52621%0.213SC..  trans-114.697.9-174.7-70.3-172.6177.6-176.90111.2N1278 P1541N1278-K1539 PolarHBondContact ND2-O 2.9Å; K1539-P1541 WeakPolarHBondContact O-CD 3.18Å
1540I84.9Confident85.6Confident4 Ų441.6 Ų41.62%0.02121%0.212CC..  trans-112.596.2174-57.1154.5000108.6L1277 R1284 T1509 I1516 T1542 L1543 K1544L1277-I1540 HydrophobicContact CD2-CG2 4.49Å; R1284-I1540 VanDerWaalsContact NH1-CD1 3.3Å; T1509-I1540 HydrophobicContact CG2-CG2 3.93Å; I1516-I1540 HydrophobicContact CG2-CD1 3.58Å; I1516-I1540 HydrophobicContact CG2-CG1 4.47Å; I1540-T1542 PolarHBondContact O-N 2.84Å; I1540-L1543 HydrophobicContact CB-CB 4.15Å; I1540-L1543 HydrophobicContact CD1-CD2 4.45Å; I1540-L1543 HydrophobicContact CG2-CB 3.68Å; I1540-L1543 PolarHBondContact O-N 2.94Å; I1540-K1544 PolarHBondContact O-N 3Å; I1540-K1544 VanDerWaalsContact O-N 3.11Å
1541P82.4Confident86.2Confident75 Ų7536.6 Ų36.649%0.48719%0.185SC..Hα-helixtrans-65.4-36.5-171.1-23.134.5000114K1539 K1544 I1545K1539-P1541 WeakPolarHBondContact O-CD 3.18Å; P1541-K1544 PolarHBondContact O-N 3.44Å; P1541-I1545 WeakPolarHBondContact O-CD1 3.24Å; P1541-I1545 VanDerWaalsContact O-CG1 3.28Å; P1541-I1545 WeakPolarHBondContact O-CG1 3.48Å; P1541-I1545 PolarHBondContact O-N 3.28Å
1542T86.2Confident86.2Confident22 Ų2238.5 Ų38.514%0.13519%0.186CC..Hα-helixtrans-63.9-43.1-179.346.70000111.6R1506 T1509 I1540 S1546R1506-T1542 HydrophobicContact CG-CG2 4.24Å; T1509-T1542 PolarHBondContact OG1-OG1 3.17Å; I1540-T1542 PolarHBondContact O-N 2.84Å; T1542-S1546 PolarHBondContact O-N 2.78Å; T1542-S1546 PolarHBondContact O-OG 2.78Å
1543L90.4Very high85.7Confident1 Ų140.5 Ų40.51%0.00520%0.204CC..Hα-helixtrans-66.7-47.1176.2-175.756.9000111.8T1509 L1510 S1513 N1517 I1540 I1545 S1546 L1547T1509-L1543 HydrophobicContact CG2-CB 3.8Å; L1510-L1543 HydrophobicContact CD1-CD1 4.27Å; S1513-L1543 VanDerWaalsContact CB-CD1 3.47Å; N1517-L1543 HydrophobicContact CB-CD2 3.65Å; I1540-L1543 HydrophobicContact CB-CB 4.15Å; I1540-L1543 HydrophobicContact CD1-CD2 4.45Å; I1540-L1543 HydrophobicContact CG2-CB 3.68Å; I1540-L1543 PolarHBondContact O-N 2.94Å; L1543-I1545 PolarHBondContact O-N 2.91Å; L1543-S1546 PolarHBondContact O-N 3.39Å; L1543-L1547 HydrophobicContact CD1-CD1 3.95Å; L1543-L1547 HydrophobicContact CD1-CD2 4.45Å; L1543-L1547 HydrophobicContact CD1-CG 3.95Å; L1543-L1547 HydrophobicContact CD2-CD1 4.33Å; L1543-L1547 HydrophobicContact CG-CD1 3.76Å; L1543-L1547 HydrophobicContact CG-CG 4.21Å; L1543-L1547 PolarHBondContact O-N 3.5Å
1544K89.3Confident85.7Confident72 Ų7245 Ų4531%0.31322%0.224SC..Hα-helixtrans-53.2-43.5178.2178.6163.7-178.7162.50111.9L1529 M1536 I1540 P1541 I1548L1529-K1544 HydrophobicContact CD2-CD 3.77Å; L1529-K1544 HydrophobicContact CD2-CG 3.79Å; M1536-K1544 HydrophobicContact CE-CB 3.96Å; M1536-K1544 HydrophobicContact CE-CD 3.79Å; M1536-K1544 HydrophobicContact CE-CG 4.19Å; M1536-K1544 HydrophobicContact SD-CB 3.77Å; M1536-K1544 HydrophobicContact SD-CG 4.37Å; I1540-K1544 PolarHBondContact O-N 3Å; I1540-K1544 VanDerWaalsContact O-N 3.11Å; P1541-K1544 PolarHBondContact O-N 3.44Å; K1544-I1548 HydrophobicContact CD-CD1 4.36Å; K1544-I1548 HydrophobicContact CG-CD1 3.75Å; K1544-I1548 HydrophobicContact CG-CG1 4.46Å; K1544-I1548 WeakPolarHBondContact O-CB 3.47Å; K1544-I1548 VanDerWaalsContact O-CG1 3.25Å; K1544-I1548 WeakPolarHBondContact O-CG1 3.42Å; K1544-I1548 PolarHBondContact O-N 3.48Å; K1544-I1548 VanDerWaalsContact O-N 3.11Å
1545I86.1Confident85.5Confident77 Ų7745.1 Ų45.140%0.39523%0.225SC..Hα-helixtrans-65-41.2179.1-62.2163.4000110.7R1506 P1541 L1543 Q1549R1506-I1545 VanDerWaalsContact CZ-CG2 3.41Å; P1541-I1545 WeakPolarHBondContact O-CD1 3.24Å; P1541-I1545 VanDerWaalsContact O-CG1 3.28Å; P1541-I1545 WeakPolarHBondContact O-CG1 3.48Å; P1541-I1545 PolarHBondContact O-N 3.28Å; L1543-I1545 PolarHBondContact O-N 2.91Å; I1545-Q1549 VanDerWaalsContact O-CG 3.3Å; I1545-Q1549 WeakPolarHBondContact O-CG 3.45Å; I1545-Q1549 PolarHBondContact O-N 3.21Å; I1545-Q1549 VanDerWaalsContact O-N 3.12Å
1546S88.5Confident85.8Confident5 Ų542.1 Ų42.14%0.03521%0.212CC..Hα-helixtrans-67.1-45.2179.5-60.60000112.6R1506 T1542 L1543 I1548 Q1549 I1550R1506-S1546 PolarHBondContact NE-OG 3.4Å; R1506-S1546 VanDerWaalsContact NH2-CA 3.32Å; R1506-S1546 PolarHBondContact NH2-OG 2.92Å; T1542-S1546 PolarHBondContact O-N 2.78Å; T1542-S1546 PolarHBondContact O-OG 2.78Å; L1543-S1546 PolarHBondContact O-N 3.39Å; S1546-I1548 PolarHBondContact O-N 3.4Å; S1546-Q1549 WeakPolarHBondContact O-CB 3.34Å; S1546-Q1549 PolarHBondContact O-N 2.77Å; S1546-Q1549 VanDerWaalsContact O-N 3.09Å; S1546-I1550 WeakPolarHBondContact O-CG1 3.37Å; S1546-I1550 PolarHBondContact O-N 3.29Å
1547L91.7Very high86.1Confident2 Ų243.6 Ų43.61%0.0122%0.218CC..Hα-helixtrans-65.2-39.8178.9-65.5173000112.4L1510 L1529 I1534 L1543 Q1549 I1550 F1551 W1642L1510-L1547 HydrophobicContact CD1-CD2 4.21Å; L1529-L1547 HydrophobicContact CD1-CB 3.88Å; L1529-L1547 HydrophobicContact CD1-CD1 4.02Å; I1534-L1547 HydrophobicContact CD1-CB 4.32Å; I1534-L1547 HydrophobicContact CD1-CD1 4.32Å; I1534-L1547 HydrophobicContact CD1-CD2 4.18Å; I1534-L1547 HydrophobicContact CG2-CD1 4.07Å; L1543-L1547 HydrophobicContact CD1-CD1 3.95Å; L1543-L1547 HydrophobicContact CD1-CD2 4.45Å; L1543-L1547 HydrophobicContact CD1-CG 3.95Å; L1543-L1547 HydrophobicContact CD2-CD1 4.33Å; L1543-L1547 HydrophobicContact CG-CD1 3.76Å; L1543-L1547 HydrophobicContact CG-CG 4.21Å; L1543-L1547 PolarHBondContact O-N 3.5Å; L1547-Q1549 VanDerWaalsContact C-N 3.26Å; L1547-Q1549 PolarHBondContact O-N 2.81Å; L1547-I1550 HydrophobicContact CD2-CD1 4.49Å; L1547-I1550 PolarHBondContact O-N 3.49Å; L1547-F1551 WeakPolarHBondContact O-CD2 3.29Å; L1547-F1551 PolarHBondContact O-N 3.41Å; L1547-W1642 HydrophobicContact CD2-CH2 4.41Å; L1547-W1642 HydrophobicContact CD2-CZ2 3.8Å
1548I88.1Confident86.4Confident85 Ų8545.6 Ų45.644%0.43623%0.227SC..Hα-helixtrans-62.4-35.1172.9-69.8171.2000111.5K1544 S1546 R1552K1544-I1548 HydrophobicContact CD-CD1 4.36Å; K1544-I1548 HydrophobicContact CG-CD1 3.75Å; K1544-I1548 HydrophobicContact CG-CG1 4.46Å; K1544-I1548 WeakPolarHBondContact O-CB 3.47Å; K1544-I1548 VanDerWaalsContact O-CG1 3.25Å; K1544-I1548 WeakPolarHBondContact O-CG1 3.42Å; K1544-I1548 PolarHBondContact O-N 3.48Å; K1544-I1548 VanDerWaalsContact O-N 3.11Å; S1546-I1548 PolarHBondContact O-N 3.4Å; I1548-R1552 PolarHBondContact O-N 3.34Å
1549Q86.5Confident87.1Confident103 Ų10345.3 Ų45.348%0.48122%0.223SC..Hα-helixtrans-71.1-36.4177.6-77.7-177.7-13.500112.7I1545 S1546 L1547 R1552I1545-Q1549 VanDerWaalsContact O-CG 3.3Å; I1545-Q1549 WeakPolarHBondContact O-CG 3.45Å; I1545-Q1549 PolarHBondContact O-N 3.21Å; I1545-Q1549 VanDerWaalsContact O-N 3.12Å; S1546-Q1549 WeakPolarHBondContact O-CB 3.34Å; S1546-Q1549 PolarHBondContact O-N 2.77Å; S1546-Q1549 VanDerWaalsContact O-N 3.09Å; L1547-Q1549 VanDerWaalsContact C-N 3.26Å; L1547-Q1549 PolarHBondContact O-N 2.81Å; Q1549-R1552 WeakPolarHBondContact O-CD 3.2Å; Q1549-R1552 VanDerWaalsContact O-CG 3.31Å; Q1549-R1552 WeakPolarHBondContact O-CG 3.34Å
1550I90.4Very high87.8Confident2 Ų239.6 Ų39.61%0.0120%0.199CC..Hα-helixtrans-66.3-53.6175.2-67.9164.3000109.6L1510 S1546 L1547 R1552 L1555 L1717 R1720 I1721 A1724L1510-I1550 HydrophobicContact CD1-CD1 3.76Å; L1510-I1550 HydrophobicContact CD2-CD1 3.94Å; L1510-I1550 HydrophobicContact CG-CD1 4.48Å; S1546-I1550 WeakPolarHBondContact O-CG1 3.37Å; S1546-I1550 PolarHBondContact O-N 3.29Å; L1547-I1550 HydrophobicContact CD2-CD1 4.49Å; L1547-I1550 PolarHBondContact O-N 3.49Å; I1550-R1552 VanDerWaalsContact C-N 3.26Å; I1550-R1552 PolarHBondContact O-N 3.22Å; I1550-L1555 WeakPolarHBondContact O-CD2 3.41Å; I1550-L1717 HydrophobicContact CG2-CD1 3.56Å; I1550-R1720 HydrophobicContact CG2-CB 4.43Å; I1550-R1720 WeakPolarHBondContact O-CD 3.42Å; I1550-R1720 PolarHBondContact O-NH1 3.38Å; I1550-I1721 HydrophobicContact CD1-CG1 4.14Å; I1550-I1721 HydrophobicContact CG2-CG1 4.15Å; I1550-A1724 HydrophobicContact CG1-CB 4.43Å
1551F90.1Very high88Confident13 Ų1342.9 Ų42.96%0.05721%0.214CC..THydrogen-bonded Turntrans-87.424-176.2-68.2-81.3000114.6T1532 I1534 L1547 L1555 W1556 I1559 W1642 L1681 L1717T1532-F1551 HydrophobicContact CG2-CB 3.68Å; T1532-F1551 HydrophobicContact CG2-CG 4.03Å; I1534-F1551 HydrophobicContact CD1-CD2 3.71Å; I1534-F1551 HydrophobicContact CD1-CE2 3.53Å; I1534-F1551 HydrophobicContact CD1-CZ 4.34Å; L1547-F1551 WeakPolarHBondContact O-CD2 3.29Å; L1547-F1551 PolarHBondContact O-N 3.41Å; F1551-L1555 HydrophobicContact CD1-CB 4.24Å; F1551-L1555 HydrophobicContact CD1-CD2 4.21Å; F1551-L1555 HydrophobicContact CD1-CG 4.38Å; F1551-W1556 HydrophobicContact CD1-CB 4.34Å; F1551-W1556 HydrophobicContact CD1-CE3 4.17Å; F1551-W1556 AromaticContact CE1-CE3 3.81Å; F1551-W1556 HydrophobicContact CE1-CE3 3.81Å; F1551-W1556 HydrophobicContact CE1-CZ3 4.41Å; F1551-W1556 HydrophobicContact CZ-CE3 4.27Å; F1551-W1556 HydrophobicContact CZ-CZ3 4.46Å; F1551-I1559 HydrophobicContact CE1-CD1 4.45Å; F1551-W1642 AromaticContact CE2-CE3 3.86Å; F1551-W1642 HydrophobicContact CE2-CE3 3.86Å; F1551-W1642 HydrophobicContact CE2-CH2 4.17Å; F1551-W1642 AromaticContact CE2-CZ3 3.64Å; F1551-W1642 HydrophobicContact CE2-CZ3 3.64Å; F1551-W1642 AromaticContact CZ-CE3 3.66Å; F1551-W1642 HydrophobicContact CZ-CE3 3.66Å; F1551-W1642 HydrophobicContact CZ-CH2 4.44Å; F1551-W1642 AromaticContact CZ-CZ3 3.51Å; F1551-W1642 HydrophobicContact CZ-CZ3 3.51Å; F1551-L1681 HydrophobicContact CE1-CD1 4.05Å; F1551-L1681 HydrophobicContact CZ-CD1 4.29Å; F1551-L1717 HydrophobicContact CE1-CD1 3.74Å; F1551-L1717 HydrophobicContact CE2-CD1 4.23Å; F1551-L1717 HydrophobicContact CZ-CD1 3.57Å
1552R83.5Confident88.3Confident116 Ų11640 Ų4044%0.43820%0.196SC..THydrogen-bonded Turntrans-65.5156.1175.370.6-178.9-176.5175.2-0.2111.5I1548 Q1549 I1550 R1720I1548-R1552 PolarHBondContact O-N 3.34Å; Q1549-R1552 WeakPolarHBondContact O-CD 3.2Å; Q1549-R1552 VanDerWaalsContact O-CG 3.31Å; Q1549-R1552 WeakPolarHBondContact O-CG 3.34Å; I1550-R1552 VanDerWaalsContact C-N 3.26Å; I1550-R1552 PolarHBondContact O-N 3.22Å; R1552-R1720 VanDerWaalsContact CG-NH1 3.33Å; R1552-R1720 PolarHBondContact O-NH1 3.38Å
1553A79.4Confident88.5Confident51 Ų5139 Ų3942%0.42119%0.189SC..THydrogen-bonded Turntrans59.346.9179.300000113.3L1555A1553-L1555 PolarHBondContact O-N 3.29Å
1554H85Confident88.6Confident97 Ų9739 Ų3945%0.44919%0.189SC..THydrogen-bonded Turntrans57.330.6173.7-58.1-98.1000114.4W1556 Q1557 K1558H1554-W1556 VanDerWaalsContact C-N 3.25Å; H1554-W1556 PolarHBondContact O-N 2.67Å; H1554-W1556 VanDerWaalsContact O-N 3.17Å; H1554-Q1557 HydrophobicContact CB-CB 4.44Å; H1554-Q1557 WeakPolarHBondContact O-CB 3.13Å; H1554-Q1557 PolarHBondContact O-N 3.27Å; H1554-Q1557 VanDerWaalsContact O-N 3.07Å; H1554-K1558 PolarHBondContact O-N 3.4Å
1555L88Confident88.6Confident3 Ų339.4 Ų39.42%0.01619%0.193CC..Hα-helixtrans-57.2-36.8-173.4-175.464.1000113I1550 F1551 A1553 Q1557 K1558 I1559 V1716 L1717I1550-L1555 WeakPolarHBondContact O-CD2 3.41Å; F1551-L1555 HydrophobicContact CD1-CB 4.24Å; F1551-L1555 HydrophobicContact CD1-CD2 4.21Å; F1551-L1555 HydrophobicContact CD1-CG 4.38Å; A1553-L1555 PolarHBondContact O-N 3.29Å; L1555-Q1557 PolarHBondContact O-N 3.02Å; L1555-K1558 PolarHBondContact O-N 3.31Å; L1555-I1559 HydrophobicContact CD1-CD1 4.4Å; L1555-I1559 HydrophobicContact CD1-CG1 4.35Å; L1555-I1559 HydrophobicContact CG-CD1 3.95Å; L1555-I1559 HydrophobicContact CG-CG1 4.36Å; L1555-I1559 VanDerWaalsContact O-CG1 3.25Å; L1555-I1559 WeakPolarHBondContact O-CG1 3.45Å; L1555-I1559 PolarHBondContact O-N 3.21Å; L1555-V1716 HydrophobicContact CD1-CB 4.41Å; L1555-V1716 HydrophobicContact CD1-CG1 3.96Å; L1555-L1717 HydrophobicContact CD2-CB 4.17Å; L1555-L1717 HydrophobicContact CD2-CD1 4.11Å
1556W92.4Very high88.7Confident0 Ų037 Ų370%018%0.182CC..Hα-helixtrans-60.5-45177.6-171.4-77.9000112.4I1534 F1551 H1554 I1559 H1560 S1593 M1596 L1640 W1642 L1681I1534-W1556 HydrophobicContact CG1-CZ3 4.09Å; F1551-W1556 HydrophobicContact CD1-CB 4.34Å; F1551-W1556 HydrophobicContact CD1-CE3 4.17Å; F1551-W1556 AromaticContact CE1-CE3 3.81Å; F1551-W1556 HydrophobicContact CE1-CE3 3.81Å; F1551-W1556 HydrophobicContact CE1-CZ3 4.41Å; F1551-W1556 HydrophobicContact CZ-CE3 4.27Å; F1551-W1556 HydrophobicContact CZ-CZ3 4.46Å; H1554-W1556 VanDerWaalsContact C-N 3.25Å; H1554-W1556 PolarHBondContact O-N 2.67Å; H1554-W1556 VanDerWaalsContact O-N 3.17Å; W1556-I1559 PolarHBondContact O-N 2.92Å; W1556-H1560 PolarHBondContact O-N 3.38Å; W1556-S1593 PolarHBondContact NE1-O 3.19Å; W1556-M1596 HydrophobicContact CH2-CE 4.45Å; W1556-M1596 HydrophobicContact CZ2-CE 3.74Å; W1556-L1640 HydrophobicContact CD2-CD1 4.36Å; W1556-L1640 HydrophobicContact CG-CD1 4.41Å; W1556-L1640 HydrophobicContact CH2-CB 4.08Å; W1556-L1640 HydrophobicContact CZ2-CB 3.35Å; W1556-L1640 HydrophobicContact CZ2-CD1 4.5Å; W1556-L1640 WeakPolarHBondContact CZ2-O 3.43Å; W1556-L1640 WeakPolarHBondContact O-CD1 3.28Å; W1556-W1642 HydrophobicContact CH2-CB 4.38Å; W1556-W1642 HydrophobicContact CZ3-CB 4.3Å; W1556-L1681 HydrophobicContact CD2-CD1 4.39Å; W1556-L1681 HydrophobicContact CE3-CD1 3.78Å; W1556-L1681 HydrophobicContact CH2-CD1 4.07Å; W1556-L1681 HydrophobicContact CZ3-CD1 3.61Å
1557Q89.3Confident88.8Confident41 Ų4137 Ų3719%0.19218%0.181CC..Hα-helixtrans-65.7-45.1176.7-179.7-176.2-10.400110.8H1554 L1555 I1559 H1560 E1561H1554-Q1557 HydrophobicContact CB-CB 4.44Å; H1554-Q1557 WeakPolarHBondContact O-CB 3.13Å; H1554-Q1557 PolarHBondContact O-N 3.27Å; H1554-Q1557 VanDerWaalsContact O-N 3.07Å; L1555-Q1557 PolarHBondContact O-N 3.02Å; Q1557-I1559 VanDerWaalsContact C-N 3.32Å; Q1557-I1559 PolarHBondContact O-N 3.29Å; Q1557-H1560 PolarHBondContact O-N 2.89Å; Q1557-E1561 HydrophobicContact CG-CG 4.44Å; Q1557-E1561 VanDerWaalsContact CG-OE1 3.29Å; Q1557-E1561 WeakPolarHBondContact CG-OE1 2.88Å; Q1557-E1561 PolarHBondContact NE2-OE1 3.46Å; Q1557-E1561 WeakPolarHBondContact O-CG 3.26Å; Q1557-E1561 PolarHBondContact O-N 3.39Å
1558K88.3Confident88.7Confident61 Ų6137.4 Ų37.427%0.26518%0.184SC..Hα-helixtrans-60.2-38.4177.5-69.7-171.2168.3-148.40113.2H1554 L1555 S1562 V1848 L1851H1554-K1558 PolarHBondContact O-N 3.4Å; L1555-K1558 PolarHBondContact O-N 3.31Å; K1558-S1562 WeakPolarHBondContact O-CB 3.48Å; K1558-S1562 PolarHBondContact O-N 2.9Å; K1558-V1848 PolarHBondContact NZ-O 3.47Å; K1558-L1851 HydrophobicContact CD-CD1 3.98Å
1559I91.1Very high88.6Confident0 Ų036.7 Ų36.70%018%0.179CC..Hα-helixtrans-63.7-47.7175.3-69.1164.2000110.1F1551 L1555 W1556 Q1557 S1562 V1563 L1640 L1681 A1713 L1714 L1717F1551-I1559 HydrophobicContact CE1-CD1 4.45Å; L1555-I1559 HydrophobicContact CD1-CD1 4.4Å; L1555-I1559 HydrophobicContact CD1-CG1 4.35Å; L1555-I1559 HydrophobicContact CG-CD1 3.95Å; L1555-I1559 HydrophobicContact CG-CG1 4.36Å; L1555-I1559 VanDerWaalsContact O-CG1 3.25Å; L1555-I1559 WeakPolarHBondContact O-CG1 3.45Å; L1555-I1559 PolarHBondContact O-N 3.21Å; W1556-I1559 PolarHBondContact O-N 2.92Å; Q1557-I1559 VanDerWaalsContact C-N 3.32Å; Q1557-I1559 PolarHBondContact O-N 3.29Å; I1559-S1562 PolarHBondContact O-N 3.19Å; I1559-V1563 WeakPolarHBondContact O-CG2 3.15Å; I1559-V1563 PolarHBondContact O-N 2.88Å; I1559-L1640 HydrophobicContact CB-CD1 4.17Å; I1559-L1640 HydrophobicContact CG2-CD1 3.9Å; I1559-L1640 HydrophobicContact CG2-CD2 4.11Å; I1559-L1681 HydrophobicContact CD1-CD1 4.19Å; I1559-L1681 HydrophobicContact CD1-CD2 4.46Å; I1559-L1681 HydrophobicContact CG2-CD2 4.13Å; I1559-A1713 HydrophobicContact CB-CB 4.4Å; I1559-A1713 HydrophobicContact CG1-CB 3.8Å; I1559-L1714 HydrophobicContact CG2-CD2 3.75Å; I1559-L1714 HydrophobicContact CG2-CG 4.47Å; I1559-L1717 HydrophobicContact CD1-CB 4.16Å; I1559-L1717 HydrophobicContact CD1-CD2 3.96Å
1560H93.4Very high88.7Confident1 Ų133.2 Ų33.21%0.00516%0.164CC..Hα-helixtrans-60.3-51.4179.4177.7-108.9000111.3W1556 Q1557 S1562 V1563 V1564 D1602 I1638 L1640W1556-H1560 PolarHBondContact O-N 3.38Å; Q1557-H1560 PolarHBondContact O-N 2.89Å; H1560-S1562 VanDerWaalsContact C-N 3.34Å; H1560-S1562 PolarHBondContact O-N 3.06Å; H1560-V1563 PolarHBondContact O-N 2.99Å; H1560-V1564 WeakPolarHBondContact O-CG2 3.08Å; H1560-V1564 PolarHBondContact O-N 3.49Å; H1560-D1602 IonicContact CE1-OD1 3.09Å; H1560-D1602 PolarHBondContact CE1-OD1 2.87Å; H1560-D1602 IonicContact CE1-OD2 2.78Å; H1560-D1602 IonicContact NE2-OD1 3.31Å; H1560-D1602 PolarHBondContact NE2-OD1 2.91Å; H1560-D1602 IonicContact NE2-OD2 3.45Å; H1560-D1602 PolarHBondContact NE2-OD2 3.31Å; H1560-I1638 PolarHBondContact CD2-O 2.99Å; H1560-I1638 PolarHBondContact NE2-O 3.14Å; H1560-L1640 HydrophobicContact CB-CD1 3.77Å; H1560-L1640 HydrophobicContact CB-CG 4.37Å
1561E88.5Confident88.7Confident74 Ų7433.2 Ų33.235%0.34616%0.164SC..Hα-helixtrans-61.4-39.9179.6-72.8170.2-176.500112.8Q1557 M1565Q1557-E1561 HydrophobicContact CG-CG 4.44Å; Q1557-E1561 VanDerWaalsContact CG-OE1 3.29Å; Q1557-E1561 WeakPolarHBondContact CG-OE1 2.88Å; Q1557-E1561 PolarHBondContact NE2-OE1 3.46Å; Q1557-E1561 WeakPolarHBondContact O-CG 3.26Å; Q1557-E1561 PolarHBondContact O-N 3.39Å; E1561-M1565 WeakPolarHBondContact O-CB 3.47Å; E1561-M1565 PolarHBondContact O-N 3.11Å
1562S87.8Confident88.5Confident15 Ų1536 Ų3611%0.10518%0.18CC..Hα-helixtrans-66.1-44178.7178.10000112K1558 I1559 H1560 M1565 D1566 N1711K1558-S1562 WeakPolarHBondContact O-CB 3.48Å; K1558-S1562 PolarHBondContact O-N 2.9Å; I1559-S1562 PolarHBondContact O-N 3.19Å; H1560-S1562 VanDerWaalsContact C-N 3.34Å; H1560-S1562 PolarHBondContact O-N 3.06Å; S1562-M1565 PolarHBondContact O-N 3.5Å; S1562-D1566 VanDerWaalsContact O-CG 3.22Å; S1562-D1566 PolarHBondContact O-N 3.12Å; S1562-N1711 PolarHBondContact OG-ND2 2.92Å
1563V91.8Very high88.6Confident0 Ų037.6 Ų37.60%019%0.192CC..Hα-helixtrans-67.2-40.5177.2177.20000111.2I1559 H1560 M1565 D1566 I1567 I1638 I1679 I1707I1559-V1563 WeakPolarHBondContact O-CG2 3.15Å; I1559-V1563 PolarHBondContact O-N 2.88Å; H1560-V1563 PolarHBondContact O-N 2.99Å; V1563-M1565 VanDerWaalsContact C-N 3.28Å; V1563-M1565 PolarHBondContact O-N 2.9Å; V1563-D1566 PolarHBondContact O-N 2.9Å; V1563-I1567 HydrophobicContact CG1-CD1 4.18Å; V1563-I1567 HydrophobicContact CG1-CG1 4.49Å; V1563-I1567 WeakPolarHBondContact O-CG1 3.16Å; V1563-I1567 PolarHBondContact O-N 3.46Å; V1563-I1638 HydrophobicContact CB-CD1 4.43Å; V1563-I1638 HydrophobicContact CG1-CD1 3.78Å; V1563-I1638 HydrophobicContact CG1-CG2 4.17Å; V1563-I1679 HydrophobicContact CG1-CD1 3.97Å; V1563-I1679 HydrophobicContact CG2-CD1 4.25Å; V1563-I1707 HydrophobicContact CG1-CG2 4.27Å; V1563-I1707 HydrophobicContact CG2-CG2 4.14Å
1564V92.5Very high88.9Confident0 Ų038.6 Ų38.60%019%0.188CC..Hα-helixtrans-58.6-43.7174.6171.30000110.7H1560 I1567 C1568 K1585 I1588 D1602 I1603 I1638H1560-V1564 WeakPolarHBondContact O-CG2 3.08Å; H1560-V1564 PolarHBondContact O-N 3.49Å; V1564-I1567 PolarHBondContact O-N 3.07Å; V1564-C1568 WeakPolarHBondContact O-CB 3.43Å; V1564-C1568 PolarHBondContact O-N 3.03Å; V1564-K1585 HydrophobicContact CG1-CD 4.18Å; V1564-K1585 HydrophobicContact CG1-CG 4.09Å; V1564-I1588 HydrophobicContact CB-CD1 4.41Å; V1564-I1588 HydrophobicContact CG1-CD1 4.03Å; V1564-I1588 HydrophobicContact CG2-CD1 4.08Å; V1564-D1602 HydrophobicContact CG1-CB 4.2Å; V1564-D1602 HydrophobicContact CG2-CB 3.79Å; V1564-I1603 HydrophobicContact CG1-CD1 4.26Å; V1564-I1603 HydrophobicContact CG1-CG1 3.95Å; V1564-I1638 HydrophobicContact CB-CD1 4.24Å; V1564-I1638 HydrophobicContact CG2-CB 4.42Å; V1564-I1638 HydrophobicContact CG2-CD1 3.55Å; V1564-I1638 HydrophobicContact CG2-CG1 4.13Å
1565M87.9Confident88.8Confident81 Ų8136.4 Ų36.440%0.39918%0.18SC..Hα-helixtrans-64.9-44.8179-166.969-165.700111.9E1561 S1562 V1563 I1567 C1568 Q1569E1561-M1565 WeakPolarHBondContact O-CB 3.47Å; E1561-M1565 PolarHBondContact O-N 3.11Å; S1562-M1565 PolarHBondContact O-N 3.5Å; V1563-M1565 VanDerWaalsContact C-N 3.28Å; V1563-M1565 PolarHBondContact O-N 2.9Å; M1565-I1567 VanDerWaalsContact C-N 3.34Å; M1565-I1567 PolarHBondContact O-N 2.91Å; M1565-C1568 WeakPolarHBondContact O-CB 3.45Å; M1565-C1568 PolarHBondContact O-N 3.48Å; M1565-Q1569 HydrophobicContact CE-CG 4.4Å; M1565-Q1569 WeakPolarHBondContact O-CG 3.43Å; M1565-Q1569 PolarHBondContact O-N 2.79Å
1566D88.7Confident88.3Confident28 Ų2842.2 Ų42.215%0.1521%0.21CC..Hα-helixtrans-61.2-42.1178.7-66.8-16000111.3S1562 V1563 Q1569 V1570 I1707 N1711S1562-D1566 VanDerWaalsContact O-CG 3.22Å; S1562-D1566 PolarHBondContact O-N 3.12Å; V1563-D1566 PolarHBondContact O-N 2.9Å; D1566-Q1569 PolarHBondContact O-N 2.95Å; D1566-V1570 WeakPolarHBondContact O-CG2 3.31Å; D1566-V1570 PolarHBondContact O-N 3.39Å; D1566-V1570 VanDerWaalsContact O-N 3.09Å; D1566-I1707 HydrophobicContact CB-CD1 3.74Å; D1566-I1707 HydrophobicContact CB-CG1 3.85Å; D1566-N1711 PolarHBondContact OD2-ND2 3.2Å
1567I90.9Very high87.8Confident4 Ų445.6 Ų45.62%0.02124%0.239CC..Hα-helixtrans-67.4-40177.2-65.7-176.3000111.3V1563 V1564 M1565 Q1569 V1570 F1571 I1603 I1636 I1638 I1677 M1704 I1707V1563-I1567 HydrophobicContact CG1-CD1 4.18Å; V1563-I1567 HydrophobicContact CG1-CG1 4.49Å; V1563-I1567 WeakPolarHBondContact O-CG1 3.16Å; V1563-I1567 PolarHBondContact O-N 3.46Å; V1564-I1567 PolarHBondContact O-N 3.07Å; M1565-I1567 VanDerWaalsContact C-N 3.34Å; M1565-I1567 PolarHBondContact O-N 2.91Å; I1567-Q1569 VanDerWaalsContact C-N 3.34Å; I1567-Q1569 PolarHBondContact O-N 3.32Å; I1567-V1570 PolarHBondContact O-N 2.95Å; I1567-F1571 HydrophobicContact CG2-CD2 3.69Å; I1567-F1571 HydrophobicContact CG2-CE2 3.63Å; I1567-F1571 WeakPolarHBondContact O-CD2 3.4Å; I1567-F1571 PolarHBondContact O-N 3Å; I1567-I1603 HydrophobicContact CB-CD1 3.86Å; I1567-I1603 HydrophobicContact CG2-CD1 3.57Å; I1567-I1636 HydrophobicContact CG2-CD1 4.36Å; I1567-I1638 HydrophobicContact CD1-CD1 3.65Å; I1567-I1677 HydrophobicContact CD1-CD1 3.55Å; I1567-M1704 HydrophobicContact CD1-SD 3.94Å; I1567-I1707 HydrophobicContact CG1-CD1 3.62Å
1568C88.9Confident87.5Confident10 Ų1044.4 Ų44.47%0.06823%0.234CC..Hα-helixtrans-57.3-48.3174.8-1660000110.8V1564 M1565 V1570 F1571 D1572 I1603V1564-C1568 WeakPolarHBondContact O-CB 3.43Å; V1564-C1568 PolarHBondContact O-N 3.03Å; M1565-C1568 WeakPolarHBondContact O-CB 3.45Å; M1565-C1568 PolarHBondContact O-N 3.48Å; C1568-V1570 VanDerWaalsContact C-N 3.28Å; C1568-V1570 PolarHBondContact O-N 2.95Å; C1568-F1571 PolarHBondContact O-N 3.06Å; C1568-F1571 VanDerWaalsContact O-N 3.16Å; C1568-D1572 VanDerWaalsContact O-CG 3.32Å; C1568-D1572 PolarHBondContact O-N 3.38Å; C1568-I1603 HydrophobicContact CB-CD1 4.42Å
1569Q86.3Confident87.3Confident70 Ų7046.6 Ų46.633%0.32725%0.245SC..Hα-helixtrans-60.8-34.9177.3-71.2177.42.200113M1565 D1566 I1567 Q1573M1565-Q1569 HydrophobicContact CE-CG 4.4Å; M1565-Q1569 WeakPolarHBondContact O-CG 3.43Å; M1565-Q1569 PolarHBondContact O-N 2.79Å; D1566-Q1569 PolarHBondContact O-N 2.95Å; I1567-Q1569 VanDerWaalsContact C-N 3.34Å; I1567-Q1569 PolarHBondContact O-N 3.32Å; Q1569-Q1573 WeakPolarHBondContact O-CG 3.17Å; Q1569-Q1573 PolarHBondContact O-N 2.93Å
1570V88.9Confident86.9Confident30 Ų3047 Ų4718%0.18225%0.247CC..Hα-helixtrans-67.4-43.5175.7170.50000111.2D1566 I1567 C1568 Q1573 L1699 A1703D1566-V1570 WeakPolarHBondContact O-CG2 3.31Å; D1566-V1570 PolarHBondContact O-N 3.39Å; D1566-V1570 VanDerWaalsContact O-N 3.09Å; I1567-V1570 PolarHBondContact O-N 2.95Å; C1568-V1570 VanDerWaalsContact C-N 3.28Å; C1568-V1570 PolarHBondContact O-N 2.95Å; V1570-Q1573 PolarHBondContact O-N 3.22Å; V1570-L1699 HydrophobicContact CG1-CD1 3.7Å; V1570-L1699 HydrophobicContact CG1-CD2 4.18Å; V1570-L1699 HydrophobicContact CG1-CG 3.97Å; V1570-A1703 HydrophobicContact CG1-CB 3.98Å; V1570-A1703 HydrophobicContact CG2-CB 4.23Å
1571F90.5Very high86.6Confident2 Ų253.3 Ų53.31%0.00928%0.276CS..Hα-helixtrans-70.2-33.9176.3-80.6-74.2000112.7I1567 C1568 Q1573 E1574 L1575 L1578 I1580 V1583 L1605 I1636 F1693 L1699 I1700I1567-F1571 HydrophobicContact CG2-CD2 3.69Å; I1567-F1571 HydrophobicContact CG2-CE2 3.63Å; I1567-F1571 WeakPolarHBondContact O-CD2 3.4Å; I1567-F1571 PolarHBondContact O-N 3Å; C1568-F1571 PolarHBondContact O-N 3.06Å; C1568-F1571 VanDerWaalsContact O-N 3.16Å; F1571-Q1573 PolarHBondContact O-N 3.11Å; F1571-E1574 CarbonylContact O-C 3.57Å; F1571-E1574 PolarHBondContact O-N 3.1Å; F1571-E1574 VanDerWaalsContact O-N 3.07Å; F1571-L1575 PolarHBondContact O-N 3.46Å; F1571-L1578 HydrophobicContact CD1-CD1 3.89Å; F1571-L1578 HydrophobicContact CE1-CD1 3.85Å; F1571-I1580 HydrophobicContact CD1-CD1 3.79Å; F1571-V1583 HydrophobicContact CB-CG1 4.06Å; F1571-V1583 HydrophobicContact CB-CG2 3.69Å; F1571-L1605 HydrophobicContact CB-CD2 4.31Å; F1571-L1605 HydrophobicContact CD1-CD1 3.99Å; F1571-L1605 HydrophobicContact CD1-CD2 4.22Å; F1571-L1605 HydrophobicContact CD2-CD2 4.48Å; F1571-L1605 HydrophobicContact CE1-CD1 3.75Å; F1571-L1605 HydrophobicContact CG-CD2 4.09Å; F1571-L1605 HydrophobicContact CZ-CD1 4.13Å; F1571-I1636 HydrophobicContact CD2-CD1 4.02Å; F1571-I1636 HydrophobicContact CE2-CD1 3.31Å; F1571-I1636 HydrophobicContact CZ-CD1 3.78Å; F1571-F1693 HydrophobicContact CE1-CZ 4.47Å; F1571-L1699 HydrophobicContact CD1-CD2 4.01Å; F1571-L1699 HydrophobicContact CE1-CD2 3.85Å; F1571-L1699 HydrophobicContact CZ-CD2 4.36Å; F1571-I1700 HydrophobicContact CE2-CG1 4.47Å; F1571-I1700 HydrophobicContact CZ-CD1 4.14Å; F1571-I1700 HydrophobicContact CZ-CG1 4.09Å
1572D86.3Confident86.6Confident72 Ų7252.8 Ų52.839%0.38528%0.278SS..Hα-helixtrans-62.2-30.8174.1-74.8-35000112.3C1568 E1574 L1575C1568-D1572 VanDerWaalsContact O-CG 3.32Å; C1568-D1572 PolarHBondContact O-N 3.38Å; D1572-E1574 VanDerWaalsContact C-N 3.31Å; D1572-L1575 WeakPolarHBondContact O-CG 3.49Å
1573Q85Confident86.6Confident149 Ų14952.7 Ų52.770%0.69628%0.277SS*.Hα-helixtrans-75.8-18.8175.5-73.1173.87.700113.1Q1569 V1570 F1571Q1569-Q1573 WeakPolarHBondContact O-CG 3.17Å; Q1569-Q1573 PolarHBondContact O-N 2.93Å; V1570-Q1573 PolarHBondContact O-N 3.22Å; F1571-Q1573 PolarHBondContact O-N 3.11Å
1574E85Confident86.6Confident72 Ų7256.8 Ų56.834%0.33630%0.296SS..THydrogen-bonded Turntrans-118.721.3-172-63.5-67.3165.200113F1571 D1572 D1576 A1577 L1578 L1699F1571-E1574 CarbonylContact O-C 3.57Å; F1571-E1574 PolarHBondContact O-N 3.1Å; F1571-E1574 VanDerWaalsContact O-N 3.07Å; D1572-E1574 VanDerWaalsContact C-N 3.31Å; E1574-D1576 PolarHBondContact O-N 3.04Å; E1574-A1577 PolarHBondContact O-N 3.45Å; E1574-A1577 WeakPolarHBondContact OE2-CB 3.47Å; E1574-L1578 HydrophobicContact CB-CD1 4.18Å; E1574-L1578 HydrophobicContact CB-CG 4.36Å; E1574-L1578 WeakPolarHBondContact O-CB 3.43Å; E1574-L1578 PolarHBondContact O-N 3.47Å; E1574-L1578 VanDerWaalsContact O-N 3.17Å; E1574-L1699 HydrophobicContact CB-CD2 4.2Å; E1574-L1699 HydrophobicContact CG-CD1 3.97Å; E1574-L1699 HydrophobicContact CG-CD2 4.16Å
1575L82.8Confident86.5Confident52 Ų5260.9 Ų60.927%0.27231%0.314SS..THydrogen-bonded Turntrans-54.4-50.7-178.5-69.7172.9000112.8F1571 D1572 E1579 I1580 V1583F1571-L1575 PolarHBondContact O-N 3.46Å; D1572-L1575 WeakPolarHBondContact O-CG 3.49Å; L1575-E1579 PolarHBondContact O-N 2.96Å; L1575-I1580 HydrophobicContact CD2-CB 3.92Å; L1575-I1580 HydrophobicContact CD2-CG2 3.72Å; L1575-I1580 PolarHBondContact O-N 3.45Å; L1575-V1583 HydrophobicContact CD2-CG2 3.5Å; L1575-V1583 VanDerWaalsContact CD2-CG2 3.5Å
1576D78.6Confident86.6Confident124 Ų12459.5 Ų59.566%0.66331%0.306SS*.THydrogen-bonded Turntrans-67.4-38.9-178.1-75.7-11.9000111.9E1574 K2044E1574-D1576 PolarHBondContact O-N 3.04Å; D1576-K2044 IonicContact OD2-NZ 3.97Å; D1576-K2044 PolarHBondContact OD2-NZ 3.29Å
1577A81Confident86.6Confident72 Ų7264.7 Ų64.760%0.59534%0.339SS*.THydrogen-bonded Turntrans-73.8-28.3-17400000113E1574E1574-A1577 PolarHBondContact O-N 3.45Å; E1574-A1577 WeakPolarHBondContact OE2-CB 3.47Å
1578L82.6Confident86.3Confident16 Ų1666.2 Ų66.28%0.08435%0.347CS..THydrogen-bonded Turntrans-104.74.7-176.3-66.8-177000114.1F1571 E1574 I1580 W1611 F1693 L1699F1571-L1578 HydrophobicContact CD1-CD1 3.89Å; F1571-L1578 HydrophobicContact CE1-CD1 3.85Å; E1574-L1578 HydrophobicContact CB-CD1 4.18Å; E1574-L1578 HydrophobicContact CB-CG 4.36Å; E1574-L1578 WeakPolarHBondContact O-CB 3.43Å; E1574-L1578 PolarHBondContact O-N 3.47Å; E1574-L1578 VanDerWaalsContact O-N 3.17Å; L1578-I1580 HydrophobicContact CB-CD1 3.67Å; L1578-I1580 HydrophobicContact CB-CG1 3.82Å; L1578-I1580 HydrophobicContact CD1-CD1 3.92Å; L1578-I1580 HydrophobicContact CG-CD1 4.45Å; L1578-I1580 PolarHBondContact O-N 2.88Å; L1578-W1611 PolarHBondContact O-NE1 3.42Å; L1578-F1693 HydrophobicContact CB-CE2 4.15Å; L1578-F1693 HydrophobicContact CD1-CE2 4.31Å; L1578-F1693 HydrophobicContact CD1-CZ 4.45Å; L1578-F1693 HydrophobicContact CD2-CE2 4.16Å; L1578-F1693 HydrophobicContact CG-CE2 4.45Å; L1578-L1699 HydrophobicContact CD1-CD2 3.54Å
1579E83.8Confident86.1Confident106 Ų10671.3 Ų71.350%0.49537%0.37SS..THydrogen-bonded Turntrans56.644.7-175.6-57-178.316700112.8L1575 S1608 W1611L1575-E1579 PolarHBondContact O-N 2.96Å; E1579-S1608 PolarHBondContact O-N 2.95Å; E1579-S1608 PolarHBondContact O-OG 2.96Å; E1579-W1611 WeakPolarHBondContact O-CZ2 3.35Å
1580I83.9Confident85.6Confident9 Ų971.5 Ų71.55%0.04638%0.377CS..EExtended strand (participates in β ladder)trans-95.8126.8178.7-58.2165.5000109.4F1571 L1575 L1578 T1582 V1583 L1605 F1606 W1611F1571-I1580 HydrophobicContact CD1-CD1 3.79Å; L1575-I1580 HydrophobicContact CD2-CB 3.92Å; L1575-I1580 HydrophobicContact CD2-CG2 3.72Å; L1575-I1580 PolarHBondContact O-N 3.45Å; L1578-I1580 HydrophobicContact CB-CD1 3.67Å; L1578-I1580 HydrophobicContact CB-CG1 3.82Å; L1578-I1580 HydrophobicContact CD1-CD1 3.92Å; L1578-I1580 HydrophobicContact CG-CD1 4.45Å; L1578-I1580 PolarHBondContact O-N 2.88Å; I1580-T1582 WeakPolarHBondContact CG2-O 3.24Å; I1580-V1583 HydrophobicContact CG2-CG2 3.85Å; I1580-L1605 HydrophobicContact CD1-CD1 4.42Å; I1580-F1606 CarbonylContact C-O 3.37Å; I1580-F1606 WeakPolarHBondContact CA-O 3.42Å; I1580-F1606 WeakPolarHBondContact CG2-O 3.42Å; I1580-W1611 HydrophobicContact CB-CZ2 4.41Å; I1580-W1611 HydrophobicContact CG1-CH2 3.98Å; I1580-W1611 HydrophobicContact CG1-CZ2 3.63Å
1581E86.4Confident85.3Confident134 Ų13476.3 Ų76.363%0.62639%0.392SS*.EExtended strand (participates in β ladder)trans-72.1-48.8173.6179.2-174.1-179.800110.5F1606 S1608E1581-F1606 HydrophobicContact CB-CB 4.11Å; E1581-F1606 PolarHBondContact N-O 2.94Å; E1581-S1608 PolarHBondContact N-OG 2.99Å
1582T88.9Confident85.1Confident63 Ų6376.9 Ų76.939%0.38739%0.394SS..EExtended strand (participates in β ladder)trans-156.6148.1178.1-170.70000111.6I1580 F1606I1580-T1582 WeakPolarHBondContact CG2-O 3.24Å; T1582-F1606 HydrophobicContact CG2-CB 4.06Å; T1582-F1606 HydrophobicContact CG2-CD2 3.43Å; T1582-F1606 VanDerWaalsContact CG2-CD2 3.43Å; T1582-F1606 HydrophobicContact CG2-CE2 4.1Å; T1582-F1606 HydrophobicContact CG2-CG 3.97Å; T1582-F1606 PolarHBondContact O-N 2.84Å; T1582-F1606 VanDerWaalsContact O-N 3.14Å
1583V88.9Confident85.2Confident13 Ų1373.8 Ų73.88%0.07938%0.379CS..EExtended strand (participates in β ladder)trans-107.6110.2173.4-179.80000107.4F1571 L1575 I1580 I1603 L1605F1571-V1583 HydrophobicContact CB-CG1 4.06Å; F1571-V1583 HydrophobicContact CB-CG2 3.69Å; L1575-V1583 HydrophobicContact CD2-CG2 3.5Å; L1575-V1583 VanDerWaalsContact CD2-CG2 3.5Å; I1580-V1583 HydrophobicContact CG2-CG2 3.85Å; V1583-I1603 HydrophobicContact CG1-CG2 3.76Å; V1583-L1605 HydrophobicContact CB-CD2 4.23Å; V1583-L1605 HydrophobicContact CG1-CD2 3.85Å; V1583-L1605 HydrophobicContact CG2-CD2 3.81Å
1584Q90Very high85.3Confident86 Ų8668.4 Ų68.440%0.40235%0.352SS..EExtended strand (participates in β ladder)trans-105.9118.3-179.2-174.8-179.4-20.700110.3I1603 L1604 F1606Q1584-I1603 WeakPolarHBondContact O-CA 3.24Å; Q1584-L1604 PolarHBondContact N-O 3.19Å; Q1584-L1604 PolarHBondContact O-N 2.7Å; Q1584-F1606 HydrophobicContact CB-CE2 4.24Å
1585K90.4Very high85.3Confident86 Ų8668.5 Ų68.537%0.37435%0.351SS..EExtended strand (participates in β ladder)trans-74.9123.4164176.6-179.6170.8179.30109.4V1564V1564-K1585 HydrophobicContact CG1-CD 4.18Å; V1564-K1585 HydrophobicContact CG1-CG 4.09Å
1586E90.5Very high85.3Confident51 Ų5166.6 Ų66.624%0.23834%0.341CS..  trans-72.7158179.1-75-63.5161.800112.6I1588 D1602E1586-I1588 PolarHBondContact O-N 2.8Å; E1586-D1602 PolarHBondContact N-O 3.46Å
1587T88.9Confident85.3Confident137 Ų13763.9 Ų63.984%0.8433%0.327SS*.  trans-75.789.1174.950.70000110.5H1589T1587-H1589 PolarHBondContact O-N 2.82Å
1588I85.1Confident85.4Confident36 Ų3661.1 Ų61.119%0.18530%0.303CS..  trans-68.6124.8-174.7-63.3161.5000111.1V1564 E1586 K1592 D1602V1564-I1588 HydrophobicContact CB-CD1 4.41Å; V1564-I1588 HydrophobicContact CG1-CD1 4.03Å; V1564-I1588 HydrophobicContact CG2-CD1 4.08Å; E1586-I1588 PolarHBondContact O-N 2.8Å; I1588-K1592 HydrophobicContact CG2-CB 4.06Å; I1588-K1592 HydrophobicContact CG2-CD 4.04Å; I1588-D1602 HydrophobicContact CD1-CB 4.4Å; I1588-D1602 WeakPolarHBondContact CD1-OD1 3.39Å; I1588-D1602 WeakPolarHBondContact CG1-OD1 3.48Å
1589H83.5Confident85.7Confident118 Ų11860.5 Ų60.555%0.54630%0.3SS..  trans-63.6133.4172.1-177.5-96.9000110.9T1587 R1591 K1592T1587-H1589 PolarHBondContact O-N 2.82Å; H1589-R1591 VanDerWaalsContact CE1-CG 3.5Å; H1589-R1591 WeakPolarHBondContact CE1-CG 3.36Å; H1589-R1591 PolarHBondContact ND1-N 3.41Å; H1589-R1591 PolarHBondContact O-N 3.14Å; H1589-K1592 HydrophobicContact CB-CB 4.4Å; H1589-K1592 VanDerWaalsContact O-CB 3.24Å; H1589-K1592 WeakPolarHBondContact O-CB 3.14Å; H1589-K1592 PolarHBondContact O-N 3.4Å
1590P76.8Confident86Confident73 Ų7358.8 Ų58.847%0.47430%0.299SS..THydrogen-bonded Turntrans-58.4-21.6-173.4-27.734.4000115.5
1591R82.4Confident86.3Confident131 Ų13158.8 Ų58.849%0.49430%0.3SS..THydrogen-bonded Turntrans-94.7-9.2177.5-46.4-165.7176.8166.20.2114.5E145 H1589 S1593 Y1594 K1595E145-R1591 IonicContact OE1-NH1 3.04Å; H1589-R1591 VanDerWaalsContact CE1-CG 3.5Å; H1589-R1591 WeakPolarHBondContact CE1-CG 3.36Å; H1589-R1591 PolarHBondContact ND1-N 3.41Å; H1589-R1591 PolarHBondContact O-N 3.14Å; R1591-S1593 VanDerWaalsContact C-N 3.3Å; R1591-S1593 PolarHBondContact O-N 2.66Å; R1591-Y1594 HydrophobicContact CB-CE1 4.4Å; R1591-Y1594 HydrophobicContact CB-CE2 3.93Å; R1591-Y1594 HydrophobicContact CG-CE2 4.38Å; R1591-Y1594 VanDerWaalsContact CG-OH 3.26Å; R1591-Y1594 WeakPolarHBondContact CG-OH 3.11Å; R1591-Y1594 PolarHBondContact O-N 2.87Å; R1591-K1595 PolarHBondContact O-N 3.28Å
1592K86.7Confident86.7Confident14 Ų1452.4 Ų52.46%0.06127%0.27CS..G310 helixtrans-55.5-47.3-176-174.3-149.3161.4178.20110.7I1588 H1589 Y1594 K1595 S1599 C1600 D1602 D1637I1588-K1592 HydrophobicContact CG2-CB 4.06Å; I1588-K1592 HydrophobicContact CG2-CD 4.04Å; H1589-K1592 HydrophobicContact CB-CB 4.4Å; H1589-K1592 VanDerWaalsContact O-CB 3.24Å; H1589-K1592 WeakPolarHBondContact O-CB 3.14Å; H1589-K1592 PolarHBondContact O-N 3.4Å; K1592-Y1594 PolarHBondContact O-N 3.44Å; K1592-K1595 PolarHBondContact O-N 2.98Å; K1592-S1599 WeakPolarHBondContact CE-OG 3.44Å; K1592-C1600 VanDerWaalsContact CE-O 3.26Å; K1592-C1600 WeakPolarHBondContact CE-O 3.45Å; K1592-C1600 PolarHBondContact NZ-O 3.28Å; K1592-D1602 IonicContact NZ-OD1 3.4Å; K1592-D1602 PolarHBondContact NZ-OD1 3.44Å; K1592-D1602 IonicContact NZ-OD2 3.99Å; K1592-D1602 PolarHBondContact NZ-OD2 3.25Å; K1592-D1637 WeakPolarHBondContact CE-OD1 3.43Å; K1592-D1637 IonicContact NZ-OD1 2.78Å; K1592-D1637 PolarHBondContact NZ-OD1 2.91Å
1593S87.4Confident86.9Confident8 Ų849.4 Ų49.46%0.05625%0.252CS..G310 helixtrans-51.8-31.3-175.659.40000114.4W1556 R1591W1556-S1593 PolarHBondContact NE1-O 3.19Å; R1591-S1593 VanDerWaalsContact C-N 3.3Å; R1591-S1593 PolarHBondContact O-N 2.66Å
1594Y87.5Confident87.1Confident36 Ų3649.1 Ų49.114%0.14125%0.25CC..G310 helixtrans-115.514.5177.455.9-93.2000113.6Q1528 L1531 T1532 R1591 K1592Q1528-Y1594 PolarHBondContact NE2-O 2.99Å; L1531-Y1594 HydrophobicContact CD2-CE1 4.25Å; L1531-Y1594 WeakPolarHBondContact CD2-OH 3.41Å; T1532-Y1594 VanDerWaalsContact C-CB 3.49Å; R1591-Y1594 HydrophobicContact CB-CE1 4.4Å; R1591-Y1594 HydrophobicContact CB-CE2 3.93Å; R1591-Y1594 HydrophobicContact CG-CE2 4.38Å; R1591-Y1594 VanDerWaalsContact CG-OH 3.26Å; R1591-Y1594 WeakPolarHBondContact CG-OH 3.11Å; R1591-Y1594 PolarHBondContact O-N 2.87Å; K1592-Y1594 PolarHBondContact O-N 3.44Å
1595K84.6Confident87.2Confident74 Ų7445 Ų4532%0.32223%0.231SC..  trans-87.7108.5171.2-166.7175.8-172.6-177.60108.8D143 R1591 K1592 S1598D143-K1595 WeakPolarHBondContact OD2-CE 3.07Å; D143-K1595 IonicContact OD2-NZ 3.68Å; D143-K1595 PolarHBondContact OD2-NZ 3.41Å; R1591-K1595 PolarHBondContact O-N 3.28Å; K1592-K1595 PolarHBondContact O-N 2.98Å; K1595-S1598 VanDerWaalsContact CE-OG 3.28Å; K1595-S1598 WeakPolarHBondContact CE-OG 3.32Å; K1595-S1598 PolarHBondContact NZ-OG 3.36Å
1596M82.5Confident87.3Confident11 Ų1142.8 Ų42.85%0.05422%0.221CC..  trans-95.1-2.3-174.6-61.5-61.4171.300114.3F1535 W1556 L1640 K1657 Y1661F1535-M1596 HydrophobicContact CE2-CB 4.31Å; F1535-M1596 HydrophobicContact CE2-CG 3.94Å; F1535-M1596 HydrophobicContact CZ-CB 3.89Å; F1535-M1596 HydrophobicContact CZ-CG 3.79Å; W1556-M1596 HydrophobicContact CH2-CE 4.45Å; W1556-M1596 HydrophobicContact CZ2-CE 3.74Å; M1596-L1640 VanDerWaalsContact CE-O 3.25Å; M1596-L1640 WeakPolarHBondContact CE-O 3.47Å; M1596-K1657 PolarHBondContact O-NZ 3.31Å; M1596-Y1661 PolarHBondContact O-OH 2.96Å; M1596-Y1661 VanDerWaalsContact O-OH 3.08Å
1597N79.2Confident87.1Confident68 Ų6840.9 Ų40.936%0.36421%0.214SC..SBendtrans-94-32.5-176.8-66.6-14.2000112.5
1598S84.3Confident86.8Confident13 Ų1338.1 Ų38.19%0.09120%0.2CC..  trans-152.2159.3-177.971.50000109.8K1595 S1667K1595-S1598 VanDerWaalsContact CE-OG 3.28Å; K1595-S1598 WeakPolarHBondContact CE-OG 3.32Å; K1595-S1598 PolarHBondContact NZ-OG 3.36Å; S1598-S1667 WeakPolarHBondContact CA-OG 3.33Å
1599S87.4Confident86.4Confident3 Ų343.9 Ų43.92%0.02122%0.221CC..  trans-143173.2-179.7-166.40000112.1K1592 D1637 Q1639 S1667K1592-S1599 WeakPolarHBondContact CE-OG 3.44Å; S1599-D1637 WeakPolarHBondContact CB-OD2 3.43Å; S1599-D1637 VanDerWaalsContact OG-CG 3.22Å; S1599-D1637 PolarHBondContact OG-OD1 2.92Å; S1599-D1637 VanDerWaalsContact OG-OD1 3.08Å; S1599-D1637 PolarHBondContact OG-OD2 2.66Å; S1599-Q1639 PolarHBondContact OG-NE2 3.41Å; S1599-S1667 PolarHBondContact N-OG 3.41Å
1600C89.7Confident86.2Confident70 Ų7043.7 Ų43.747%0.47322%0.218SC..BIsolated β-bridgetrans-134.4169.2173.1-560000108.7K1592K1592-C1600 VanDerWaalsContact CE-O 3.26Å; K1592-C1600 WeakPolarHBondContact CE-O 3.45Å; K1592-C1600 PolarHBondContact NZ-O 3.28Å
1601A91.7Very high86.6Confident9 Ų940.5 Ų40.57%0.07420%0.197CC..  trans-62.8146.1171.700000112.1W1635 Y1669 P1670A1601-W1635 HydrophobicContact CB-CB 3.84Å; A1601-Y1669 HydrophobicContact CB-CD1 4.31Å; A1601-P1670 HydrophobicContact CB-CG 4.29Å
1602D93.3Very high86.7Confident0 Ų036.9 Ų36.90%019%0.19CC..SBendtrans-98.1-40169.7-73.9-44.2000111.8H1560 V1564 E1586 I1588 K1592 I1636 I1638H1560-D1602 IonicContact CE1-OD1 3.09Å; H1560-D1602 PolarHBondContact CE1-OD1 2.87Å; H1560-D1602 IonicContact CE1-OD2 2.78Å; H1560-D1602 IonicContact NE2-OD1 3.31Å; H1560-D1602 PolarHBondContact NE2-OD1 2.91Å; H1560-D1602 IonicContact NE2-OD2 3.45Å; H1560-D1602 PolarHBondContact NE2-OD2 3.31Å; V1564-D1602 HydrophobicContact CG1-CB 4.2Å; V1564-D1602 HydrophobicContact CG2-CB 3.79Å; E1586-D1602 PolarHBondContact N-O 3.46Å; I1588-D1602 HydrophobicContact CD1-CB 4.4Å; I1588-D1602 WeakPolarHBondContact CD1-OD1 3.39Å; I1588-D1602 WeakPolarHBondContact CG1-OD1 3.48Å; K1592-D1602 IonicContact NZ-OD1 3.4Å; K1592-D1602 PolarHBondContact NZ-OD1 3.44Å; K1592-D1602 IonicContact NZ-OD2 3.99Å; K1592-D1602 PolarHBondContact NZ-OD2 3.25Å; D1602-I1636 PolarHBondContact N-O 2.77Å; D1602-I1638 PolarHBondContact OD2-N 2.67Å
1603I93.8Very high86.6Confident0 Ų036.2 Ų36.20%019%0.188CC..EExtended strand (participates in β ladder)trans-131.2139.3-179.4-52.5170.8000108.1V1564 I1567 C1568 V1583 Q1584 L1605 W1635 I1636V1564-I1603 HydrophobicContact CG1-CD1 4.26Å; V1564-I1603 HydrophobicContact CG1-CG1 3.95Å; I1567-I1603 HydrophobicContact CB-CD1 3.86Å; I1567-I1603 HydrophobicContact CG2-CD1 3.57Å; C1568-I1603 HydrophobicContact CB-CD1 4.42Å; V1583-I1603 HydrophobicContact CG1-CG2 3.76Å; Q1584-I1603 WeakPolarHBondContact O-CA 3.24Å; I1603-L1605 HydrophobicContact CG2-CD2 4.06Å; I1603-W1635 CarbonylContact O-C 3.43Å; I1603-W1635 WeakPolarHBondContact O-CA 3.06Å; I1603-I1636 HydrophobicContact CB-CB 4.23Å; I1603-I1636 HydrophobicContact CB-CD1 4.43Å; I1603-I1636 PolarHBondContact N-O 2.72Å; I1603-I1636 PolarHBondContact O-N 3.27Å
1604L94Very high86.7Confident7 Ų736 Ų364%0.03719%0.186CC..EExtended strand (participates in β ladder)trans-122.6125.7175.4-170.964.3000109.4Q1584 F1606 K1633 W1635 P1670Q1584-L1604 PolarHBondContact N-O 3.19Å; Q1584-L1604 PolarHBondContact O-N 2.7Å; L1604-F1606 HydrophobicContact CB-CE2 4.4Å; L1604-F1606 HydrophobicContact CD2-CE1 4.28Å; L1604-F1606 HydrophobicContact CD2-CE2 3.69Å; L1604-F1606 HydrophobicContact CD2-CZ 3.44Å; L1604-F1606 VanDerWaalsContact CD2-CZ 3.44Å; L1604-F1606 HydrophobicContact CG-CD2 4.49Å; L1604-F1606 HydrophobicContact CG-CE2 3.87Å; L1604-F1606 HydrophobicContact CG-CZ 4.06Å; L1604-K1633 HydrophobicContact CD1-CB 4.4Å; L1604-W1635 HydrophobicContact CD1-CB 4.25Å; L1604-P1670 HydrophobicContact CD1-CB 3.84Å; L1604-P1670 HydrophobicContact CD1-CG 3.93Å; L1604-P1670 HydrophobicContact CD2-CB 4.3Å; L1604-P1670 HydrophobicContact CD2-CG 4.33Å
1605L92.5Very high86.6Confident0 Ų044.1 Ų44.10%022%0.216CC..EExtended strand (participates in β ladder)trans-104135.1175.4-46.6178.2000109.1F1571 I1580 V1583 I1603 W1611 K1633 F1634 I1636 F1693F1571-L1605 HydrophobicContact CB-CD2 4.31Å; F1571-L1605 HydrophobicContact CD1-CD1 3.99Å; F1571-L1605 HydrophobicContact CD1-CD2 4.22Å; F1571-L1605 HydrophobicContact CD2-CD2 4.48Å; F1571-L1605 HydrophobicContact CE1-CD1 3.75Å; F1571-L1605 HydrophobicContact CG-CD2 4.09Å; F1571-L1605 HydrophobicContact CZ-CD1 4.13Å; I1580-L1605 HydrophobicContact CD1-CD1 4.42Å; V1583-L1605 HydrophobicContact CB-CD2 4.23Å; V1583-L1605 HydrophobicContact CG1-CD2 3.85Å; V1583-L1605 HydrophobicContact CG2-CD2 3.81Å; I1603-L1605 HydrophobicContact CG2-CD2 4.06Å; L1605-W1611 HydrophobicContact CB-CH2 3.83Å; L1605-W1611 HydrophobicContact CB-CZ3 4.13Å; L1605-K1633 WeakPolarHBondContact O-CA 3.49Å; L1605-F1634 HydrophobicContact CB-CB 4.26Å; L1605-F1634 HydrophobicContact CD1-CD1 3.86Å; L1605-F1634 HydrophobicContact CG-CD1 4.44Å; L1605-F1634 PolarHBondContact N-O 2.84Å; L1605-F1634 PolarHBondContact O-N 3.49Å; L1605-I1636 HydrophobicContact CD1-CD1 4.34Å; L1605-F1693 HydrophobicContact CD1-CE1 4.05Å; L1605-F1693 HydrophobicContact CD1-CZ 4.02Å
1606F91.6Very high86.7Confident40 Ų4043.1 Ų43.118%0.17522%0.217CC..EExtended strand (participates in β ladder)trans-108.1131.3174.1-66-96.2000109.5I1580 E1581 T1582 Q1584 L1604 K1633I1580-F1606 CarbonylContact C-O 3.37Å; I1580-F1606 WeakPolarHBondContact CA-O 3.42Å; I1580-F1606 WeakPolarHBondContact CG2-O 3.42Å; E1581-F1606 HydrophobicContact CB-CB 4.11Å; E1581-F1606 PolarHBondContact N-O 2.94Å; T1582-F1606 HydrophobicContact CG2-CB 4.06Å; T1582-F1606 HydrophobicContact CG2-CD2 3.43Å; T1582-F1606 VanDerWaalsContact CG2-CD2 3.43Å; T1582-F1606 HydrophobicContact CG2-CE2 4.1Å; T1582-F1606 HydrophobicContact CG2-CG 3.97Å; T1582-F1606 PolarHBondContact O-N 2.84Å; T1582-F1606 VanDerWaalsContact O-N 3.14Å; Q1584-F1606 HydrophobicContact CB-CE2 4.24Å; L1604-F1606 HydrophobicContact CB-CE2 4.4Å; L1604-F1606 HydrophobicContact CD2-CE1 4.28Å; L1604-F1606 HydrophobicContact CD2-CE2 3.69Å; L1604-F1606 HydrophobicContact CD2-CZ 3.44Å; L1604-F1606 VanDerWaalsContact CD2-CZ 3.44Å; L1604-F1606 HydrophobicContact CG-CD2 4.49Å; L1604-F1606 HydrophobicContact CG-CE2 3.87Å; L1604-F1606 HydrophobicContact CG-CZ 4.06Å; F1606-K1633 HydrophobicContact CD1-CG 4.27Å; F1606-K1633 HydrophobicContact CE1-CD 4.34Å; F1606-K1633 HydrophobicContact CE1-CG 4.27Å
1607A87.1Confident87.1Confident11 Ų1143.2 Ų43.29%0.09122%0.219CC..EExtended strand (participates in β ladder)trans-85.9130.4-178.400000110.8Y1609 W1611 Q1632A1607-Y1609 WeakPolarHBondContact CB-O 3.49Å; A1607-Y1609 PolarHBondContact O-N 3.44Å; A1607-W1611 HydrophobicContact CB-CD2 3.48Å; A1607-W1611 VanDerWaalsContact CB-CD2 3.48Å; A1607-W1611 HydrophobicContact CB-CE3 3.59Å; A1607-W1611 HydrophobicContact CB-CG 4.1Å; A1607-W1611 HydrophobicContact CB-CH2 3.73Å; A1607-W1611 HydrophobicContact CB-CZ2 3.66Å; A1607-W1611 HydrophobicContact CB-CZ3 3.71Å; A1607-Q1632 PolarHBondContact N-O 3.49Å
1608S82.2Confident87.6Confident78 Ų7841.6 Ų41.655%0.54521%0.21SC..EExtended strand (participates in β ladder)trans-61.7-31.3171.7-56.60000111.6E1579 E1581E1579-S1608 PolarHBondContact O-N 2.95Å; E1579-S1608 PolarHBondContact O-OG 2.96Å; E1581-S1608 PolarHBondContact N-OG 2.99Å
1609Y75.7Confident87.8Confident158 Ų15841.7 Ų41.762%0.6221%0.209SC*.EExtended strand (participates in β ladder)trans-146.8155.1171.6-172.6-103.9000109.9A1607 W1611A1607-Y1609 WeakPolarHBondContact CB-O 3.49Å; A1607-Y1609 PolarHBondContact O-N 3.44Å; Y1609-W1611 PolarHBondContact O-N 3.39Å
1610K79.2Confident87.7Confident113 Ų11345.1 Ų45.149%0.49124%0.238SC..EExtended strand (participates in β ladder)trans-53.1121.7-170.3-65179.6-179.5179.40112.5Q1632K1610-Q1632 HydrophobicContact CG-CG 4.34Å
1611W86Confident87.4Confident7 Ų745.4 Ų45.43%0.02724%0.235CC..EExtended strand (participates in β ladder)trans-79.8129.9174.5-71-42000111.8L1578 E1579 I1580 L1605 A1607 Y1609 V1613 T1630 T1631 F1634 F1693L1578-W1611 PolarHBondContact O-NE1 3.42Å; E1579-W1611 WeakPolarHBondContact O-CZ2 3.35Å; I1580-W1611 HydrophobicContact CB-CZ2 4.41Å; I1580-W1611 HydrophobicContact CG1-CH2 3.98Å; I1580-W1611 HydrophobicContact CG1-CZ2 3.63Å; L1605-W1611 HydrophobicContact CB-CH2 3.83Å; L1605-W1611 HydrophobicContact CB-CZ3 4.13Å; A1607-W1611 HydrophobicContact CB-CD2 3.48Å; A1607-W1611 VanDerWaalsContact CB-CD2 3.48Å; A1607-W1611 HydrophobicContact CB-CE3 3.59Å; A1607-W1611 HydrophobicContact CB-CG 4.1Å; A1607-W1611 HydrophobicContact CB-CH2 3.73Å; A1607-W1611 HydrophobicContact CB-CZ2 3.66Å; A1607-W1611 HydrophobicContact CB-CZ3 3.71Å; Y1609-W1611 PolarHBondContact O-N 3.39Å; W1611-V1613 HydrophobicContact CB-CG2 4.3Å; W1611-T1630 CarbonylContact O-C 3.52Å; W1611-T1630 VanDerWaalsContact O-CA 3.23Å; W1611-T1630 WeakPolarHBondContact O-CA 3.37Å; W1611-T1631 HydrophobicContact CB-CG2 4.43Å; W1611-T1631 HydrophobicContact CE3-CG2 4.3Å; W1611-T1631 PolarHBondContact N-O 3.1Å; W1611-T1631 PolarHBondContact O-N 3.44Å; W1611-F1634 HydrophobicContact CE3-CB 4.16Å; W1611-F1634 HydrophobicContact CZ3-CB 3.7Å; W1611-F1693 HydrophobicContact CB-CB 4.02Å; W1611-F1693 HydrophobicContact CD2-CB 4.48Å; W1611-F1693 HydrophobicContact CD2-CD1 4.5Å; W1611-F1693 HydrophobicContact CD2-CD2 4.22Å; W1611-F1693 HydrophobicContact CD2-CG 4.17Å; W1611-F1693 HydrophobicContact CE3-CD1 4.38Å; W1611-F1693 HydrophobicContact CE3-CG 4.49Å; W1611-F1693 HydrophobicContact CG-CB 4.1Å; W1611-F1693 HydrophobicContact CG-CD2 4.31Å; W1611-F1693 HydrophobicContact CG-CG 4.24Å; W1611-F1693 HydrophobicContact CZ2-CE2 4.37Å; W1611-F1693 HydrophobicContact CZ2-CZ 4.49Å
1612P84.4Confident86.6Confident55 Ų5550.9 Ų50.936%0.35727%0.273SS..EExtended strand (participates in β ladder)trans-73.9126.616130.7-30.9000109.3P1694P1612-P1694 HydrophobicContact CG-CG 4.3Å; P1612-P1694 VanDerWaalsContact O-CD 3.29Å; P1612-P1694 WeakPolarHBondContact O-CD 3.43Å
1613V85.5Confident85.6Confident0 Ų059.5 Ų59.50%031%0.31CS..EExtended strand (participates in β ladder)trans-119.5141-173.9-1580000110.8W1611 G1628 T1629 T1631 T1673 N1691 W1692W1611-V1613 HydrophobicContact CB-CG2 4.3Å; V1613-G1628 WeakPolarHBondContact O-CA 3.21Å; V1613-G1628 PolarHBondContact O-N 3.14Å; V1613-T1629 PolarHBondContact N-O 3.05Å; V1613-T1629 PolarHBondContact O-N 3.38Å; V1613-T1631 HydrophobicContact CG2-CG2 3.46Å; V1613-T1631 VanDerWaalsContact CG2-CG2 3.46Å; V1613-T1673 HydrophobicContact CG2-CG2 4.47Å; V1613-N1691 HydrophobicContact CG1-CB 3.46Å; V1613-N1691 VanDerWaalsContact CG1-CB 3.46Å; V1613-W1692 WeakPolarHBondContact CG1-O 3.32Å
1614S87.6Confident84.5Confident2 Ų261.3 Ų61.31%0.01432%0.32CS..PPolyproline II helixtrans-70.7169.9174.273.10000113.3N1691 W1692S1614-N1691 PolarHBondContact O-OD1 2.79Å; S1614-W1692 PolarHBondContact N-O 3.34Å; S1614-W1692 PolarHBondContact OG-N 3.27Å; S1614-W1692 PolarHBondContact OG-O 3.01Å
1615R85.4Confident83.5Confident207 Ų20766.8 Ų66.878%0.78135%0.349SS*.PPolyproline II helixtrans-70.2156.8165.7-62.9-179.2-177.7172.72.2110.4S1617R1615-S1617 PolarHBondContact O-N 3.4Å; R1615-S1617 VanDerWaalsContact O-N 3.14Å
1616P88.2Confident82.5Confident54 Ų5469.8 Ų69.835%0.35136%0.364SS..SBendtrans-58.8118-179.1-22.129.9000113.6F1658 Y1689 G1690 N1691P1616-F1658 HydrophobicContact CB-CE1 4.13Å; P1616-F1658 HydrophobicContact CG-CE1 4.21Å; P1616-Y1689 HydrophobicContact CB-CE1 3.91Å; P1616-Y1689 PolarHBondContact O-OH 3.16Å; P1616-G1690 CarbonylContact C-O 3.52Å; P1616-G1690 VanDerWaalsContact CA-O 3.23Å; P1616-G1690 WeakPolarHBondContact CA-O 3.29Å; P1616-N1691 WeakPolarHBondContact CD-OD1 3.3Å; P1616-N1691 VanDerWaalsContact CG-OD1 3.25Å; P1616-N1691 WeakPolarHBondContact CG-OD1 3.38Å
1617S90.2Very high81.3Confident13 Ų1374.8 Ų74.89%0.09139%0.392CS..EExtended strand (participates in β ladder)trans-132.9167.5179.5720000111.8R1615 D1624 Y1689 G1690 W1692 K1697R1615-S1617 PolarHBondContact O-N 3.4Å; R1615-S1617 VanDerWaalsContact O-N 3.14Å; S1617-D1624 WeakPolarHBondContact CB-OD1 3.48Å; S1617-D1624 PolarHBondContact OG-OD1 3.05Å; S1617-Y1689 WeakPolarHBondContact O-CD2 3.48Å; S1617-G1690 PolarHBondContact N-O 3.42Å; S1617-G1690 PolarHBondContact O-N 3.04Å; S1617-W1692 PolarHBondContact O-NE1 2.74Å; S1617-W1692 VanDerWaalsContact O-NE1 3.11Å; S1617-W1692 PolarHBondContact OG-NE1 3.42Å; S1617-W1692 VanDerWaalsContact OG-NE1 3.12Å; S1617-K1697 PolarHBondContact OG-NZ 3.44Å
1618L90.2Very high80.2Confident34 Ų3476 Ų7618%0.17841%0.405CS..EExtended strand (participates in β ladder)trans-78158.5177.6-72.1165.4000111.3A1620 D1621 E1651 Y1689 K1697L1618-A1620 PolarHBondContact O-N 2.85Å; L1618-D1621 PolarHBondContact N-OD2 3.37Å; L1618-D1621 PolarHBondContact O-N 3.39Å; L1618-E1651 HydrophobicContact CD2-CB 4.1Å; L1618-Y1689 HydrophobicContact CD2-CD2 3.78Å; L1618-Y1689 HydrophobicContact CD2-CG 4.46Å; L1618-Y1689 HydrophobicContact CG-CD2 3.98Å; L1618-K1697 WeakPolarHBondContact O-CE 3.29Å; L1618-K1697 PolarHBondContact O-NZ 2.93Å
1619L88.8Confident79.9Confident14 Ų1476 Ų767%0.07340%0.402CS..THydrogen-bonded Turntrans-56.3-32.3175-175.762.7000113.2A1688 W1692 K1697 I1700 Q1701L1619-A1688 HydrophobicContact CB-CB 4.1Å; L1619-A1688 HydrophobicContact CD2-CB 4.41Å; L1619-A1688 PolarHBondContact N-O 3.18Å; L1619-W1692 HydrophobicContact CB-CH2 4.42Å; L1619-W1692 HydrophobicContact CB-CZ2 4.36Å; L1619-W1692 HydrophobicContact CD1-CH2 3.6Å; L1619-W1692 HydrophobicContact CD1-CZ2 4.26Å; L1619-W1692 HydrophobicContact CD1-CZ3 4.2Å; L1619-K1697 HydrophobicContact CD1-CG 4.32Å; L1619-K1697 WeakPolarHBondContact O-CE 3.1Å; L1619-I1700 HydrophobicContact CD1-CB 4.36Å; L1619-I1700 HydrophobicContact CD1-CG2 3.99Å; L1619-Q1701 HydrophobicContact CD1-CB 4.19Å
1620A84.3Confident80.2Confident75 Ų7573.2 Ų73.262%0.6240%0.402SS*.THydrogen-bonded Turntrans-88.9-7.8-176.300000114.7L1618L1618-A1620 PolarHBondContact O-N 2.85Å
1621D83.2Confident80.5Confident76 Ų7668.7 Ų68.741%0.40638%0.383SS..  trans-72.2139.1-179.3-68.6-30.4000110.9L1618 K1697L1618-D1621 PolarHBondContact N-OD2 3.37Å; L1618-D1621 PolarHBondContact O-N 3.39Å; D1621-K1697 WeakPolarHBondContact O-CE 3.34Å; D1621-K1697 PolarHBondContact O-NZ 3.25Å
1622S75.2Confident80.6Confident125 Ų12574.1 Ų74.187%0.87441%0.409SS*.  trans-98.4-21.5-173.555.20000115.6
1623K72.9Confident80.9Confident180 Ų18075.8 Ų75.878%0.78341%0.411SS*.  trans-114.993.3-173.5-167.4178.7-176.7179.30111.2
1624D70.5Confident81.3Confident39 Ų3975.8 Ų75.821%0.20941%0.411CS..  trans-101.6121.9174-68-47.8000110.1S1617 M1626 K1697S1617-D1624 WeakPolarHBondContact CB-OD1 3.48Å; S1617-D1624 PolarHBondContact OG-OD1 3.05Å; D1624-M1626 HydrophobicContact CB-CE 3.99Å; D1624-K1697 IonicContact OD1-NZ 3.55Å; D1624-K1697 PolarHBondContact OD1-NZ 3.5Å; D1624-K1697 WeakPolarHBondContact OD2-CD 3.05Å; D1624-K1697 IonicContact OD2-NZ 3.65Å; D1624-K1697 PolarHBondContact OD2-NZ 2.83Å
1625L72.8Confident81.6Confident121 Ų12175.7 Ų75.763%0.63441%0.41SS*.  trans-85.7120.5171.6-72.9156.4000108.6D1627L1625-D1627 PolarHBondContact O-N 2.91Å
1626M71.4Confident82.1Confident64 Ų6465.9 Ų65.932%0.31537%0.373SS..SBendtrans-85.216.2-174.3-59.1-59.8179.600113.8D1624 G1628D1624-M1626 HydrophobicContact CB-CE 3.99Å; M1626-G1628 VanDerWaalsContact C-N 3.28Å; M1626-G1628 PolarHBondContact O-N 2.97Å
1627D67.2Low82.4Confident145 Ų14563.3 Ų63.378%0.77536%0.356SS*.  trans-88.615.1-175.3-51.9-31.3000113.3L1625L1625-D1627 PolarHBondContact O-N 2.91Å
1628G63.3Low82.6Confident35 Ų3562.8 Ų62.836%0.36135%0.352SS..SBendtrans-77.3-79.3-168.500000113.9V1613 M1626V1613-G1628 WeakPolarHBondContact O-CA 3.21Å; V1613-G1628 PolarHBondContact O-N 3.14Å; M1626-G1628 VanDerWaalsContact C-N 3.28Å; M1626-G1628 PolarHBondContact O-N 2.97Å
1629T75.5Confident82.8Confident80 Ų8061.5 Ų61.549%0.49135%0.346SS..EExtended strand (participates in β ladder)trans-147.5157.9-176.656.80000109.6V1613V1613-T1629 PolarHBondContact N-O 3.05Å; V1613-T1629 PolarHBondContact O-N 3.38Å
1630T81.9Confident83.1Confident98 Ų9860.9 Ų60.960%0.60134%0.342SS*.EExtended strand (participates in β ladder)trans-104135.9170.649.20000110.8W1611W1611-T1630 CarbonylContact O-C 3.52Å; W1611-T1630 VanDerWaalsContact O-CA 3.23Å; W1611-T1630 WeakPolarHBondContact O-CA 3.37Å
1631T85.9Confident83.5Confident18 Ų1858.8 Ų58.811%0.1132%0.318CS..EExtended strand (participates in β ladder)trans-133.4157.3-178.4-163.80000112.3W1611 V1613 K1633 T1673W1611-T1631 HydrophobicContact CB-CG2 4.43Å; W1611-T1631 HydrophobicContact CE3-CG2 4.3Å; W1611-T1631 PolarHBondContact N-O 3.1Å; W1611-T1631 PolarHBondContact O-N 3.44Å; V1613-T1631 HydrophobicContact CG2-CG2 3.46Å; V1613-T1631 VanDerWaalsContact CG2-CG2 3.46Å; T1631-K1633 PolarHBondContact OG1-N 3.28Å; T1631-K1633 PolarHBondContact OG1-O 3.19Å; T1631-K1633 VanDerWaalsContact OG1-O 3.04Å; T1631-T1673 WeakPolarHBondContact CB-OG1 3.29Å; T1631-T1673 HydrophobicContact CG2-CG2 4.38Å; T1631-T1673 WeakPolarHBondContact CG2-OG1 3.43Å; T1631-T1673 PolarHBondContact OG1-OG1 2.98Å
1632Q89Confident83.9Confident121 Ų12156.4 Ų56.457%0.56530%0.304SS*.EExtended strand (participates in β ladder)trans-107.7-18170.9-71.1178.7-27.300112.8A1607 K1610A1607-Q1632 PolarHBondContact N-O 3.49Å; K1610-Q1632 HydrophobicContact CG-CG 4.34Å
1633K90.8Very high84.6Confident90 Ų9050.6 Ų50.639%0.39126%0.263SS..EExtended strand (participates in β ladder)trans-126.6131.7-175.4-66.4-175.1-177.1-175.10110.2L1604 L1605 F1606 T1631 S1671 T1673L1604-K1633 HydrophobicContact CD1-CB 4.4Å; L1605-K1633 WeakPolarHBondContact O-CA 3.49Å; F1606-K1633 HydrophobicContact CD1-CG 4.27Å; F1606-K1633 HydrophobicContact CE1-CD 4.34Å; F1606-K1633 HydrophobicContact CE1-CG 4.27Å; T1631-K1633 PolarHBondContact OG1-N 3.28Å; T1631-K1633 PolarHBondContact OG1-O 3.19Å; T1631-K1633 VanDerWaalsContact OG1-O 3.04Å; K1633-S1671 WeakPolarHBondContact O-CB 3.31Å; K1633-S1671 PolarHBondContact O-OG 3.39Å; K1633-T1673 PolarHBondContact O-OG1 2.75Å; K1633-T1673 VanDerWaalsContact O-OG1 3.05Å
1634F92.8Very high85.4Confident0 Ų042.6 Ų42.60%023%0.229CC..EExtended strand (participates in β ladder)trans-131.8123.9179.1-171.9-88.8000110.9L1605 W1611 I1636 T1673 V1675 N1691 F1693L1605-F1634 HydrophobicContact CB-CB 4.26Å; L1605-F1634 HydrophobicContact CD1-CD1 3.86Å; L1605-F1634 HydrophobicContact CG-CD1 4.44Å; L1605-F1634 PolarHBondContact N-O 2.84Å; L1605-F1634 PolarHBondContact O-N 3.49Å; W1611-F1634 HydrophobicContact CE3-CB 4.16Å; W1611-F1634 HydrophobicContact CZ3-CB 3.7Å; F1634-I1636 HydrophobicContact CD1-CG1 4.36Å; F1634-I1636 HydrophobicContact CE1-CG1 4.1Å; F1634-T1673 WeakPolarHBondContact CA-O 3.43Å; F1634-V1675 HydrophobicContact CE1-CB 4.3Å; F1634-V1675 HydrophobicContact CE1-CG1 3.65Å; F1634-V1675 HydrophobicContact CZ-CB 3.99Å; F1634-V1675 HydrophobicContact CZ-CG1 3.85Å; F1634-N1691 WeakPolarHBondContact CE2-O 3.3Å; F1634-N1691 WeakPolarHBondContact CZ-O 3.47Å; F1634-F1693 HydrophobicContact CD1-CD1 4.37Å; F1634-F1693 AromaticContact CD1-CE1 3.87Å; F1634-F1693 HydrophobicContact CD1-CE1 3.87Å; F1634-F1693 AromaticContact CD2-CD1 3.9Å; F1634-F1693 HydrophobicContact CD2-CD1 3.9Å; F1634-F1693 HydrophobicContact CD2-CE1 4.23Å; F1634-F1693 HydrophobicContact CE1-CD1 4.4Å; F1634-F1693 AromaticContact CE1-CE1 3.99Å; F1634-F1693 HydrophobicContact CE1-CE1 3.99Å; F1634-F1693 AromaticContact CE2-CD1 3.95Å; F1634-F1693 HydrophobicContact CE2-CD1 3.95Å; F1634-F1693 HydrophobicContact CE2-CE1 4.35Å; F1634-F1693 HydrophobicContact CG-CD1 4.11Å; F1634-F1693 AromaticContact CG-CE1 3.98Å; F1634-F1693 HydrophobicContact CG-CE1 3.98Å; F1634-F1693 HydrophobicContact CZ-CD1 4.2Å; F1634-F1693 HydrophobicContact CZ-CE1 4.23Å
1635W94.9Very high86.2Confident1 Ų144.3 Ų44.30%0.00423%0.233CC..EExtended strand (participates in β ladder)trans-103.5150.8-179.259.4-95.6000112.7A1601 I1603 L1604 D1637 F1658 T1662 Y1669 S1671 T1673 G1674 V1675A1601-W1635 HydrophobicContact CB-CB 3.84Å; I1603-W1635 CarbonylContact O-C 3.43Å; I1603-W1635 WeakPolarHBondContact O-CA 3.06Å; L1604-W1635 HydrophobicContact CD1-CB 4.25Å; W1635-D1637 HydrophobicContact CE3-CB 4.04Å; W1635-D1637 HydrophobicContact CZ3-CB 3.81Å; W1635-F1658 AromaticContact CH2-CD2 3.82Å; W1635-F1658 HydrophobicContact CH2-CD2 3.82Å; W1635-F1658 AromaticContact CH2-CE2 3.56Å; W1635-F1658 HydrophobicContact CH2-CE2 3.56Å; W1635-F1658 AromaticContact CZ2-CE2 3.88Å; W1635-F1658 HydrophobicContact CZ2-CE2 3.88Å; W1635-T1662 HydrophobicContact CH2-CG2 4.29Å; W1635-T1662 HydrophobicContact CZ2-CG2 3.98Å; W1635-Y1669 AromaticContact CD2-CD1 3.63Å; W1635-Y1669 HydrophobicContact CD2-CD1 3.63Å; W1635-Y1669 HydrophobicContact CD2-CE1 4.17Å; W1635-Y1669 HydrophobicContact CD2-CG 4.07Å; W1635-Y1669 AromaticContact CE2-CD1 3.85Å; W1635-Y1669 AromaticContact CE2-CG 3.81Å; W1635-Y1669 AromaticContact CE3-CD1 3.74Å; W1635-Y1669 HydrophobicContact CE3-CD1 3.74Å; W1635-Y1669 AromaticContact CE3-CE1 3.8Å; W1635-Y1669 HydrophobicContact CE3-CE1 3.8Å; W1635-Y1669 HydrophobicContact CE3-CG 4.5Å; W1635-Y1669 HydrophobicContact CG-CD1 4.13Å; W1635-Y1669 HydrophobicContact CH2-CD1 4.29Å; W1635-Y1669 HydrophobicContact CH2-CD2 4.49Å; W1635-Y1669 HydrophobicContact CH2-CE1 4.12Å; W1635-Y1669 HydrophobicContact CH2-CE2 4.31Å; W1635-Y1669 HydrophobicContact CH2-CG 4.47Å; W1635-Y1669 HydrophobicContact CZ2-CD1 4.19Å; W1635-Y1669 HydrophobicContact CZ2-CD2 4.17Å; W1635-Y1669 HydrophobicContact CZ2-CE1 4.47Å; W1635-Y1669 HydrophobicContact CZ2-CE2 4.43Å; W1635-Y1669 HydrophobicContact CZ2-CG 4.03Å; W1635-Y1669 HydrophobicContact CZ3-CD1 4.08Å; W1635-Y1669 AromaticContact CZ3-CE1 3.78Å; W1635-Y1669 HydrophobicContact CZ3-CE1 3.78Å; W1635-S1671 PolarHBondContact NE1-O 3.12Å; W1635-T1673 PolarHBondContact N-O 2.81Å; W1635-G1674 CarbonylContact O-C 3.45Å; W1635-G1674 WeakPolarHBondContact O-CA 3.15Å; W1635-V1675 WeakPolarHBondContact CZ3-O 3.49Å; W1635-V1675 PolarHBondContact O-N 3.14Å
1636I94.9Very high86.8Confident0 Ų041.4 Ų41.40%022%0.218CC..EExtended strand (participates in β ladder)trans-123132.5171-57.6162000108.7I1567 F1571 D1602 I1603 L1605 F1634 I1638 V1675 I1677I1567-I1636 HydrophobicContact CG2-CD1 4.36Å; F1571-I1636 HydrophobicContact CD2-CD1 4.02Å; F1571-I1636 HydrophobicContact CE2-CD1 3.31Å; F1571-I1636 HydrophobicContact CZ-CD1 3.78Å; D1602-I1636 PolarHBondContact N-O 2.77Å; I1603-I1636 HydrophobicContact CB-CB 4.23Å; I1603-I1636 HydrophobicContact CB-CD1 4.43Å; I1603-I1636 PolarHBondContact N-O 2.72Å; I1603-I1636 PolarHBondContact O-N 3.27Å; L1605-I1636 HydrophobicContact CD1-CD1 4.34Å; F1634-I1636 HydrophobicContact CD1-CG1 4.36Å; F1634-I1636 HydrophobicContact CE1-CG1 4.1Å; I1636-I1638 HydrophobicContact CG2-CG1 4.5Å; I1636-V1675 WeakPolarHBondContact CA-O 3.34Å; I1636-V1675 HydrophobicContact CB-CG1 4.25Å; I1636-V1675 HydrophobicContact CG1-CG1 3.66Å; I1636-V1675 HydrophobicContact CG2-CG1 4.21Å; I1636-I1677 HydrophobicContact CG2-CD1 3.85Å; I1636-I1677 HydrophobicContact CG2-CG1 4.31Å
1637D95.2Very high87.3Confident0 Ų040.3 Ų40.30%022%0.217CC..EExtended strand (participates in β ladder)trans-123.3130.4175.4-174.36.4000110.6K1592 S1599 W1635 Q1639 Y1669 V1675 M1676 I1677K1592-D1637 WeakPolarHBondContact CE-OD1 3.43Å; K1592-D1637 IonicContact NZ-OD1 2.78Å; K1592-D1637 PolarHBondContact NZ-OD1 2.91Å; S1599-D1637 WeakPolarHBondContact CB-OD2 3.43Å; S1599-D1637 VanDerWaalsContact OG-CG 3.22Å; S1599-D1637 PolarHBondContact OG-OD1 2.92Å; S1599-D1637 VanDerWaalsContact OG-OD1 3.08Å; S1599-D1637 PolarHBondContact OG-OD2 2.66Å; W1635-D1637 HydrophobicContact CE3-CB 4.04Å; W1635-D1637 HydrophobicContact CZ3-CB 3.81Å; D1637-Q1639 PolarHBondContact OD1-NE2 3.06Å; D1637-Q1639 PolarHBondContact OD2-NE2 3.09Å; D1637-Y1669 HydrophobicContact CB-CE1 4.05Å; D1637-Y1669 PolarHBondContact OD2-OH 3.04Å; D1637-V1675 PolarHBondContact N-O 3.07Å; D1637-M1676 CarbonylContact O-C 3.48Å; D1637-M1676 WeakPolarHBondContact O-CA 3.48Å; D1637-I1677 PolarHBondContact O-N 3.32Å
1638I94.6Very high88Confident2 Ų235.8 Ų35.81%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-108.1115.1-177.8-49.5-170.3000110.1H1560 V1563 V1564 I1567 D1602 I1636 I1677 I1679H1560-I1638 PolarHBondContact CD2-O 2.99Å; H1560-I1638 PolarHBondContact NE2-O 3.14Å; V1563-I1638 HydrophobicContact CB-CD1 4.43Å; V1563-I1638 HydrophobicContact CG1-CD1 3.78Å; V1563-I1638 HydrophobicContact CG1-CG2 4.17Å; V1564-I1638 HydrophobicContact CB-CD1 4.24Å; V1564-I1638 HydrophobicContact CG2-CB 4.42Å; V1564-I1638 HydrophobicContact CG2-CD1 3.55Å; V1564-I1638 HydrophobicContact CG2-CG1 4.13Å; I1567-I1638 HydrophobicContact CD1-CD1 3.65Å; D1602-I1638 PolarHBondContact OD2-N 2.67Å; I1636-I1638 HydrophobicContact CG2-CG1 4.5Å; I1638-I1677 CarbonylContact C-O 3.53Å; I1638-I1677 WeakPolarHBondContact CA-O 3.22Å; I1638-I1679 HydrophobicContact CG2-CD1 4.35Å
1639Q94.4Very high89.1Confident7 Ų738 Ų383%0.03319%0.194CC..EExtended strand (participates in β ladder)trans-107.3120.2-179.1-65.5-64.9-53.400110.9S1599 D1637 Y1653 M1676 I1677 A1678 I1679S1599-Q1639 PolarHBondContact OG-NE2 3.41Å; D1637-Q1639 PolarHBondContact OD1-NE2 3.06Å; D1637-Q1639 PolarHBondContact OD2-NE2 3.09Å; Q1639-Y1653 HydrophobicContact CB-CE1 4.42Å; Q1639-M1676 HydrophobicContact CG-CG 3.92Å; Q1639-M1676 HydrophobicContact CG-SD 3.82Å; Q1639-I1677 PolarHBondContact N-O 2.92Å; Q1639-A1678 CarbonylContact O-C 3.59Å; Q1639-A1678 WeakPolarHBondContact O-CA 3.47Å; Q1639-I1679 PolarHBondContact O-N 2.95Å
1640L94.2Very high89.8Confident1 Ų134.7 Ų34.71%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-90142171.8-60.6-175000110.7W1556 I1559 H1560 M1596 I1679 L1681W1556-L1640 HydrophobicContact CD2-CD1 4.36Å; W1556-L1640 HydrophobicContact CG-CD1 4.41Å; W1556-L1640 HydrophobicContact CH2-CB 4.08Å; W1556-L1640 HydrophobicContact CZ2-CB 3.35Å; W1556-L1640 HydrophobicContact CZ2-CD1 4.5Å; W1556-L1640 WeakPolarHBondContact CZ2-O 3.43Å; W1556-L1640 WeakPolarHBondContact O-CD1 3.28Å; I1559-L1640 HydrophobicContact CB-CD1 4.17Å; I1559-L1640 HydrophobicContact CG2-CD1 3.9Å; I1559-L1640 HydrophobicContact CG2-CD2 4.11Å; H1560-L1640 HydrophobicContact CB-CD1 3.77Å; H1560-L1640 HydrophobicContact CB-CG 4.37Å; M1596-L1640 VanDerWaalsContact CE-O 3.25Å; M1596-L1640 WeakPolarHBondContact CE-O 3.47Å; L1640-I1679 HydrophobicContact CD2-CB 4.06Å; L1640-I1679 HydrophobicContact CD2-CD1 4.27Å; L1640-L1681 HydrophobicContact CD1-CD1 4.41Å; L1640-L1681 HydrophobicContact CD2-CD2 4.36Å
1641R92.3Very high90.1Very high31 Ų3134.1 Ų34.112%0.11716%0.164CC..EExtended strand (participates in β ladder)trans-134.2153.3176.9-176-177.4-179.5-176.99.8110.6S1647 D1649 Y1653 I1679 L1681R1641-S1647 PolarHBondContact NH2-O 3.42Å; R1641-S1647 PolarHBondContact NH2-OG 3.39Å; R1641-D1649 PolarHBondContact NH1-O 2.9Å; R1641-Y1653 HydrophobicContact CB-CE1 4.29Å; R1641-Y1653 VanDerWaalsContact NH1-CB 3.26Å; R1641-I1679 PolarHBondContact N-O 3.01Å; R1641-L1681 WeakPolarHBondContact O-CB 3.23Å; R1641-L1681 PolarHBondContact O-N 2.84Å
1642W93.3Very high90.1Very high27 Ų2742.5 Ų42.510%0.10219%0.194CC..  trans-118.1100.2163.2-174.1-83.1000108.5L1463 I1534 L1547 F1551 W1556 L1681 A1682 I1721L1463-W1642 HydrophobicContact CD1-CH2 3.99Å; L1463-W1642 HydrophobicContact CD1-CZ2 3.59Å; I1534-W1642 HydrophobicContact CB-CB 4.49Å; I1534-W1642 HydrophobicContact CD1-CD2 4.04Å; I1534-W1642 HydrophobicContact CD1-CE3 4.37Å; I1534-W1642 HydrophobicContact CD1-CG 4.13Å; I1534-W1642 HydrophobicContact CG1-CB 3.78Å; I1534-W1642 HydrophobicContact CG1-CD2 4.21Å; I1534-W1642 HydrophobicContact CG1-CG 3.8Å; I1534-W1642 HydrophobicContact CG2-CG 4.19Å; L1547-W1642 HydrophobicContact CD2-CH2 4.41Å; L1547-W1642 HydrophobicContact CD2-CZ2 3.8Å; F1551-W1642 AromaticContact CE2-CE3 3.86Å; F1551-W1642 HydrophobicContact CE2-CE3 3.86Å; F1551-W1642 HydrophobicContact CE2-CH2 4.17Å; F1551-W1642 AromaticContact CE2-CZ3 3.64Å; F1551-W1642 HydrophobicContact CE2-CZ3 3.64Å; F1551-W1642 AromaticContact CZ-CE3 3.66Å; F1551-W1642 HydrophobicContact CZ-CE3 3.66Å; F1551-W1642 HydrophobicContact CZ-CH2 4.44Å; F1551-W1642 AromaticContact CZ-CZ3 3.51Å; F1551-W1642 HydrophobicContact CZ-CZ3 3.51Å; W1556-W1642 HydrophobicContact CH2-CB 4.38Å; W1556-W1642 HydrophobicContact CZ3-CB 4.3Å; W1642-L1681 HydrophobicContact CE3-CB 3.86Å; W1642-L1681 HydrophobicContact CZ3-CB 4.18Å; W1642-A1682 HydrophobicContact CD2-CB 3.82Å; W1642-A1682 HydrophobicContact CE3-CB 4.07Å; W1642-A1682 HydrophobicContact CG-CB 4.23Å; W1642-A1682 HydrophobicContact CH2-CB 4.36Å; W1642-A1682 HydrophobicContact CZ2-CB 4.14Å; W1642-A1682 HydrophobicContact CZ3-CB 4.3Å; W1642-I1721 HydrophobicContact CH2-CD1 4.28Å
1643G88.7Confident90.1Very high2 Ų238.3 Ų38.32%0.02117%0.173CC..  trans-69.5169.3-177.900000114D1680G1643-D1680 WeakPolarHBondContact CA-OD2 3.09Å; G1643-D1680 PolarHBondContact N-OD1 3.36Å; G1643-D1680 PolarHBondContact N-OD2 2.93Å
1644D90Very high90.1Very high12 Ų1234 Ų346%0.06416%0.155CC..BIsolated β-bridgetrans-136.3178.5171.566.911.5000110.5R1518 A1519 D1646 S1647 H1648R1518-D1644 VanDerWaalsContact C-OD2 3.28Å; R1518-D1644 WeakPolarHBondContact CA-OD2 3.45Å; A1519-D1644 WeakPolarHBondContact CA-OD2 3.45Å; A1519-D1644 VanDerWaalsContact CB-OD2 3.23Å; A1519-D1644 WeakPolarHBondContact CB-OD2 3.36Å; A1519-D1644 PolarHBondContact N-OD2 2.81Å; D1644-D1646 VanDerWaalsContact C-N 3.26Å; D1644-D1646 PolarHBondContact O-N 2.98Å; D1644-D1646 PolarHBondContact OD1-N 3.05Å; D1644-S1647 PolarHBondContact N-O 2.89Å; D1644-S1647 CarbonylContact O-C 3.56Å; D1644-S1647 PolarHBondContact O-N 3.47Å; D1644-S1647 WeakPolarHBondContact OD1-CA 3.44Å; D1644-S1647 WeakPolarHBondContact OD1-CB 3.17Å; D1644-S1647 PolarHBondContact OD1-N 3.17Å; D1644-S1647 PolarHBondContact OD1-OG 3.11Å; D1644-H1648 WeakPolarHBondContact O-CB 3.22Å; D1644-H1648 PolarHBondContact O-N 2.67Å; D1644-H1648 PolarHBondContact O-ND1 3.3Å
1645Y88.2Confident90Very high76 Ų7640.5 Ų40.530%0.29818%0.179SC..THydrogen-bonded Turntrans-61.4-34.4-176-178.5-99.1000113.1E1460 H1461 P1514 H1648E1460-Y1645 HydrophobicContact CB-CE2 4.26Å; H1461-Y1645 AromaticContact CE1-CD2 3.87Å; H1461-Y1645 AromaticContact CE1-CE1 3.59Å; H1461-Y1645 AromaticContact CE1-CE2 3.28Å; H1461-Y1645 WeakPolarHBondContact CE1-CE2 3.07Å; H1461-Y1645 AromaticContact CE1-CZ 3.11Å; H1461-Y1645 PolarHBondContact CE1-OH 3.16Å; H1461-Y1645 AromaticContact CG-CE2 3.8Å; H1461-Y1645 AromaticContact ND1-CD2 3.46Å; H1461-Y1645 WeakPolarHBondContact ND1-CD2 3.49Å; H1461-Y1645 AromaticContact ND1-CE2 3.32Å; H1461-Y1645 VanDerWaalsContact ND1-CE2 3.32Å; H1461-Y1645 WeakPolarHBondContact ND1-CE2 3.46Å; H1461-Y1645 AromaticContact ND1-CG 3.87Å; H1461-Y1645 AromaticContact ND1-CZ 3.63Å; H1461-Y1645 AromaticContact NE2-CE2 3.75Å; H1461-Y1645 AromaticContact NE2-CZ 3.69Å; H1461-Y1645 PolarHBondContact NE2-OH 3.39Å; P1514-Y1645 PolarHBondContact O-N 2.92Å; Y1645-H1648 PolarHBondContact O-CE1 3.27Å; Y1645-H1648 PolarHBondContact O-ND1 2.86Å
1646D83.6Confident89.6Confident59 Ų5942.4 Ų42.432%0.31620%0.195SC..THydrogen-bonded Turntrans-79.2-26.9-179.2-68.3-52.9000113R1518 A1519 N1520 D1644R1518-D1646 VanDerWaalsContact CB-OD2 3.22Å; R1518-D1646 WeakPolarHBondContact CB-OD2 3.4Å; R1518-D1646 WeakPolarHBondContact CG-OD2 3.31Å; R1518-D1646 IonicContact CZ-OD1 2.82Å; R1518-D1646 IonicContact CZ-OD2 2.69Å; R1518-D1646 IonicContact NE-OD1 2.73Å; R1518-D1646 PolarHBondContact NE-OD1 3.12Å; R1518-D1646 IonicContact NE-OD2 3.32Å; R1518-D1646 PolarHBondContact NE-OD2 3.15Å; R1518-D1646 IonicContact NH2-OD1 2.7Å; R1518-D1646 PolarHBondContact NH2-OD1 2.8Å; R1518-D1646 IonicContact NH2-OD2 2.86Å; A1519-D1646 HydrophobicContact CB-CB 4.48Å; A1519-D1646 PolarHBondContact N-OD2 2.81Å; N1520-D1646 WeakPolarHBondContact CA-OD2 3.13Å; N1520-D1646 HydrophobicContact CB-CB 4.48Å; N1520-D1646 VanDerWaalsContact CB-CG 3.46Å; N1520-D1646 WeakPolarHBondContact CB-OD2 3.38Å; N1520-D1646 PolarHBondContact N-OD2 3.02Å; D1644-D1646 VanDerWaalsContact C-N 3.26Å; D1644-D1646 PolarHBondContact O-N 2.98Å; D1644-D1646 PolarHBondContact OD1-N 3.05Å
1647S81.8Confident89.3Confident41 Ų4143.9 Ų43.929%0.28720%0.201SC..BIsolated β-bridgetrans-146.879.1-167.473.60000110.1R1641 D1644R1641-S1647 PolarHBondContact NH2-O 3.42Å; R1641-S1647 PolarHBondContact NH2-OG 3.39Å; D1644-S1647 PolarHBondContact N-O 2.89Å; D1644-S1647 CarbonylContact O-C 3.56Å; D1644-S1647 PolarHBondContact O-N 3.47Å; D1644-S1647 WeakPolarHBondContact OD1-CA 3.44Å; D1644-S1647 WeakPolarHBondContact OD1-CB 3.17Å; D1644-S1647 PolarHBondContact OD1-N 3.17Å; D1644-S1647 PolarHBondContact OD1-OG 3.11Å
1648H82.8Confident89.1Confident50 Ų5044.2 Ų44.223%0.23120%0.203CC..  trans-125.2-4.9171.960.3-84.1000112.8D1644 Y1645 I1650 Y1683D1644-H1648 WeakPolarHBondContact O-CB 3.22Å; D1644-H1648 PolarHBondContact O-N 2.67Å; D1644-H1648 PolarHBondContact O-ND1 3.3Å; Y1645-H1648 PolarHBondContact O-CE1 3.27Å; Y1645-H1648 PolarHBondContact O-ND1 2.86Å; H1648-I1650 PolarHBondContact O-N 3.08Å; H1648-Y1683 HydrophobicContact CB-CD2 3.48Å; H1648-Y1683 VanDerWaalsContact CB-CD2 3.48Å; H1648-Y1683 HydrophobicContact CB-CE2 3.46Å; H1648-Y1683 VanDerWaalsContact CB-CE2 3.46Å; H1648-Y1683 HydrophobicContact CB-CG 4.16Å; H1648-Y1683 AromaticContact CG-CE2 4Å
1649D86.2Confident88.8Confident81 Ų8147.2 Ų47.243%0.43322%0.218SC..  trans-59.6111.9168.5177.1-4.5000109.2R1641 E1651 R1652R1641-D1649 PolarHBondContact NH1-O 2.9Å; D1649-E1651 PolarHBondContact OD1-N 3.46Å; D1649-E1651 VanDerWaalsContact OD1-N 3.11Å; D1649-R1652 HydrophobicContact CB-CB 4.44Å; D1649-R1652 PolarHBondContact OD1-N 3.18Å; D1649-R1652 VanDerWaalsContact OD1-N 3.15Å; D1649-R1652 VanDerWaalsContact OD2-CB 3.31Å; D1649-R1652 WeakPolarHBondContact OD2-CB 3.46Å
1650I90Very high88.2Confident11 Ų1150.4 Ų50.46%0.05624%0.235CC..Hα-helixtrans-86.9-28.2-172.9-164.958.1000111.8H1648 Y1653 A1654 A1678 D1680 L1685H1648-I1650 PolarHBondContact O-N 3.08Å; I1650-Y1653 HydrophobicContact CD1-CD1 4.2Å; I1650-Y1653 PolarHBondContact O-N 2.89Å; I1650-A1654 WeakPolarHBondContact O-CB 3.33Å; I1650-A1654 PolarHBondContact O-N 3.42Å; I1650-A1678 HydrophobicContact CD1-CB 3.57Å; I1650-A1678 HydrophobicContact CG1-CB 3.94Å; I1650-A1678 WeakPolarHBondContact CG1-O 3.45Å; I1650-D1680 HydrophobicContact CD1-CB 4.18Å; I1650-L1685 HydrophobicContact CB-CB 4.33Å; I1650-L1685 HydrophobicContact CG2-CB 4Å
1651E89.3Confident88Confident86 Ų8650.5 Ų50.540%0.40224%0.236SC..Hα-helixtrans-67.9-48178.2-60.5-173.4164.400110.2L1618 D1649 Y1653 A1654 R1655L1618-E1651 HydrophobicContact CD2-CB 4.1Å; D1649-E1651 PolarHBondContact OD1-N 3.46Å; D1649-E1651 VanDerWaalsContact OD1-N 3.11Å; E1651-Y1653 PolarHBondContact O-N 2.85Å; E1651-A1654 PolarHBondContact O-N 2.96Å; E1651-R1655 WeakPolarHBondContact O-CB 3.41Å; E1651-R1655 PolarHBondContact O-N 2.86Å
1652R86Confident87.8Confident194 Ų19451.8 Ų51.873%0.73225%0.247SC*.Hα-helixtrans-60.9-35.3175.3-174.8176.5-177.3177.55111.8D1649 A1656D1649-R1652 HydrophobicContact CB-CB 4.44Å; D1649-R1652 PolarHBondContact OD1-N 3.18Å; D1649-R1652 VanDerWaalsContact OD1-N 3.15Å; D1649-R1652 VanDerWaalsContact OD2-CB 3.31Å; D1649-R1652 WeakPolarHBondContact OD2-CB 3.46Å; R1652-A1656 WeakPolarHBondContact O-CB 3.34Å; R1652-A1656 PolarHBondContact O-N 3.46Å
1653Y87.9Confident87.2Confident34 Ų3454.2 Ų54.213%0.13327%0.265CS..Hα-helixtrans-71.1-46.2177.5-179.2-93.1000112.2Q1639 R1641 I1650 E1651 R1655 A1656 K1657 A1678Q1639-Y1653 HydrophobicContact CB-CE1 4.42Å; R1641-Y1653 HydrophobicContact CB-CE1 4.29Å; R1641-Y1653 VanDerWaalsContact NH1-CB 3.26Å; I1650-Y1653 HydrophobicContact CD1-CD1 4.2Å; I1650-Y1653 PolarHBondContact O-N 2.89Å; E1651-Y1653 PolarHBondContact O-N 2.85Å; Y1653-R1655 VanDerWaalsContact C-N 3.33Å; Y1653-R1655 PolarHBondContact O-N 3.13Å; Y1653-A1656 PolarHBondContact O-N 3.01Å; Y1653-K1657 HydrophobicContact CD1-CG 4.12Å; Y1653-K1657 HydrophobicContact CD2-CG 4.21Å; Y1653-K1657 HydrophobicContact CE1-CG 3.75Å; Y1653-K1657 HydrophobicContact CE2-CD 4.32Å; Y1653-K1657 HydrophobicContact CE2-CG 3.85Å; Y1653-K1657 HydrophobicContact CG-CG 4.34Å; Y1653-K1657 WeakPolarHBondContact O-CB 3.44Å; Y1653-K1657 WeakPolarHBondContact O-CG 3.34Å; Y1653-K1657 PolarHBondContact O-N 3.14Å; Y1653-K1657 WeakPolarHBondContact OH-CE 3.09Å; Y1653-A1678 HydrophobicContact CD1-CB 3.93Å; Y1653-A1678 HydrophobicContact CE1-CB 4.37Å
1654A91.8Very high86.7Confident0 Ų056 Ų560%027%0.274CS..Hα-helixtrans-56.8-48.617600000110.7I1650 E1651 K1657 F1658 A1678I1650-A1654 WeakPolarHBondContact O-CB 3.33Å; I1650-A1654 PolarHBondContact O-N 3.42Å; E1651-A1654 PolarHBondContact O-N 2.96Å; A1654-K1657 PolarHBondContact O-N 3.46Å; A1654-F1658 VanDerWaalsContact O-CB 3.24Å; A1654-F1658 WeakPolarHBondContact O-CB 3.32Å; A1654-F1658 PolarHBondContact O-N 3.07Å; A1654-A1678 HydrophobicContact CB-CB 3.88Å
1655R90.2Very high86.1Confident136 Ų13662.1 Ų62.151%0.51331%0.307SS..Hα-helixtrans-62.4-48.1176.2-179.6176.8177-173.51.6112.7E1651 Y1653 K1657 F1658 L1659 Y1689E1651-R1655 WeakPolarHBondContact O-CB 3.41Å; E1651-R1655 PolarHBondContact O-N 2.86Å; Y1653-R1655 VanDerWaalsContact C-N 3.33Å; Y1653-R1655 PolarHBondContact O-N 3.13Å; R1655-K1657 PolarHBondContact O-N 2.92Å; R1655-F1658 PolarHBondContact O-N 3.22Å; R1655-L1659 HydrophobicContact CG-CD1 3.95Å; R1655-L1659 HydrophobicContact CG-CG 4.49Å; R1655-L1659 WeakPolarHBondContact O-CB 3.31Å; R1655-L1659 VanDerWaalsContact O-CG 3.3Å; R1655-L1659 WeakPolarHBondContact O-CG 3.4Å; R1655-L1659 PolarHBondContact O-N 3.45Å; R1655-Y1689 HydrophobicContact CB-CD1 4.14Å; R1655-Y1689 HydrophobicContact CB-CD2 4.2Å; R1655-Y1689 HydrophobicContact CB-CE1 4.41Å; R1655-Y1689 HydrophobicContact CB-CG 4.01Å; R1655-Y1689 HydrophobicContact CG-CD1 4.16Å; R1655-Y1689 HydrophobicContact CG-CD2 4.34Å; R1655-Y1689 HydrophobicContact CG-CE1 3.92Å; R1655-Y1689 HydrophobicContact CG-CE2 4.15Å; R1655-Y1689 HydrophobicContact CG-CG 4.35Å
1656A86.2Confident85.6Confident40 Ų4061.9 Ų61.933%0.33131%0.309SS..Hα-helixtrans-61.1-45.4-179.700000111.3R1652 Y1653 L1659 D1660R1652-A1656 WeakPolarHBondContact O-CB 3.34Å; R1652-A1656 PolarHBondContact O-N 3.46Å; Y1653-A1656 PolarHBondContact O-N 3.01Å; A1656-L1659 PolarHBondContact O-N 2.85Å; A1656-D1660 VanDerWaalsContact O-CB 3.24Å; A1656-D1660 WeakPolarHBondContact O-CB 3.36Å; A1656-D1660 PolarHBondContact O-N 2.91Å
1657K88.9Confident85.5Confident32 Ų3259.6 Ų59.614%0.13930%0.298CS..Hα-helixtrans-68.7-39.6179.1-71.1-55.2-163.41670113.3M1596 Y1653 A1654 R1655 D1660 Y1661 M1676M1596-K1657 PolarHBondContact O-NZ 3.31Å; Y1653-K1657 HydrophobicContact CD1-CG 4.12Å; Y1653-K1657 HydrophobicContact CD2-CG 4.21Å; Y1653-K1657 HydrophobicContact CE1-CG 3.75Å; Y1653-K1657 HydrophobicContact CE2-CD 4.32Å; Y1653-K1657 HydrophobicContact CE2-CG 3.85Å; Y1653-K1657 HydrophobicContact CG-CG 4.34Å; Y1653-K1657 WeakPolarHBondContact O-CB 3.44Å; Y1653-K1657 WeakPolarHBondContact O-CG 3.34Å; Y1653-K1657 PolarHBondContact O-N 3.14Å; Y1653-K1657 WeakPolarHBondContact OH-CE 3.09Å; A1654-K1657 PolarHBondContact O-N 3.46Å; R1655-K1657 PolarHBondContact O-N 2.92Å; K1657-D1660 PolarHBondContact O-N 3.11Å; K1657-Y1661 HydrophobicContact CB-CE2 4.39Å; K1657-Y1661 HydrophobicContact CD-CE1 4.17Å; K1657-Y1661 HydrophobicContact CD-CE2 4.41Å; K1657-Y1661 PolarHBondContact NZ-OH 2.73Å; K1657-Y1661 WeakPolarHBondContact O-CB 3.4Å; K1657-Y1661 VanDerWaalsContact O-CG 3.29Å; K1657-Y1661 PolarHBondContact O-N 2.89Å; K1657-M1676 HydrophobicContact CB-CE 4.35Å; K1657-M1676 HydrophobicContact CB-SD 3.45Å; K1657-M1676 WeakPolarHBondContact CB-SD 3.42Å
1658F91Very high85.7Confident7 Ų763.8 Ų63.83%0.03132%0.316CS..Hα-helixtrans-59.7-49.3173.7-179.3-88.3000110.8P1616 W1635 A1654 R1655 Y1661 T1662 G1674 M1676 Y1689P1616-F1658 HydrophobicContact CB-CE1 4.13Å; P1616-F1658 HydrophobicContact CG-CE1 4.21Å; W1635-F1658 AromaticContact CH2-CD2 3.82Å; W1635-F1658 HydrophobicContact CH2-CD2 3.82Å; W1635-F1658 AromaticContact CH2-CE2 3.56Å; W1635-F1658 HydrophobicContact CH2-CE2 3.56Å; W1635-F1658 AromaticContact CZ2-CE2 3.88Å; W1635-F1658 HydrophobicContact CZ2-CE2 3.88Å; A1654-F1658 VanDerWaalsContact O-CB 3.24Å; A1654-F1658 WeakPolarHBondContact O-CB 3.32Å; A1654-F1658 PolarHBondContact O-N 3.07Å; R1655-F1658 PolarHBondContact O-N 3.22Å; F1658-Y1661 PolarHBondContact O-N 2.89Å; F1658-T1662 HydrophobicContact CD1-CG2 4.3Å; F1658-T1662 HydrophobicContact CD2-CG2 4.33Å; F1658-T1662 HydrophobicContact CE1-CG2 4.1Å; F1658-T1662 HydrophobicContact CE2-CG2 4.11Å; F1658-T1662 HydrophobicContact CG-CG2 4.42Å; F1658-T1662 HydrophobicContact CZ-CG2 4Å; F1658-T1662 VanDerWaalsContact O-CB 3.31Å; F1658-T1662 WeakPolarHBondContact O-CB 3.29Å; F1658-T1662 VanDerWaalsContact O-CG2 3.25Å; F1658-T1662 WeakPolarHBondContact O-CG2 3.34Å; F1658-T1662 PolarHBondContact O-N 2.85Å; F1658-T1662 PolarHBondContact O-OG1 3.22Å; F1658-G1674 WeakPolarHBondContact CE2-O 3.41Å; F1658-M1676 HydrophobicContact CB-CB 4.32Å; F1658-M1676 HydrophobicContact CB-CE 4.37Å; F1658-M1676 HydrophobicContact CB-SD 4.32Å; F1658-M1676 HydrophobicContact CD2-CB 3.99Å; F1658-M1676 PolarHBondContact N-SD 2.59Å; F1658-Y1689 HydrophobicContact CB-CD1 3.67Å; F1658-Y1689 HydrophobicContact CB-CE1 4.38Å; F1658-Y1689 AromaticContact CD1-CD1 3.53Å; F1658-Y1689 HydrophobicContact CD1-CD1 3.53Å; F1658-Y1689 AromaticContact CD1-CE1 3.53Å; F1658-Y1689 HydrophobicContact CD1-CE1 3.53Å; F1658-Y1689 HydrophobicContact CD2-CD1 4.39Å; F1658-Y1689 WeakPolarHBondContact CD2-O 3.44Å; F1658-Y1689 HydrophobicContact CE1-CD1 4.25Å; F1658-Y1689 HydrophobicContact CE1-CE1 4.06Å; F1658-Y1689 AromaticContact CG-CD1 3.61Å; F1658-Y1689 HydrophobicContact CG-CD1 3.61Å; F1658-Y1689 HydrophobicContact CG-CE1 4.12Å
1659L87.6Confident86.1Confident64 Ų6463 Ų6334%0.33531%0.311SS..Hα-helixtrans-66.8-38.8178.3-66.6174.1000111.9R1655 A1656 T1663R1655-L1659 HydrophobicContact CG-CD1 3.95Å; R1655-L1659 HydrophobicContact CG-CG 4.49Å; R1655-L1659 WeakPolarHBondContact O-CB 3.31Å; R1655-L1659 VanDerWaalsContact O-CG 3.3Å; R1655-L1659 WeakPolarHBondContact O-CG 3.4Å; R1655-L1659 PolarHBondContact O-N 3.45Å; A1656-L1659 PolarHBondContact O-N 2.85Å; L1659-T1663 WeakPolarHBondContact O-CB 3.35Å; L1659-T1663 VanDerWaalsContact O-CG2 3.28Å; L1659-T1663 WeakPolarHBondContact O-CG2 3.27Å; L1659-T1663 PolarHBondContact O-N 3.33Å; L1659-T1663 PolarHBondContact O-OG1 3.41Å
1660D83.1Confident86.2Confident74 Ų7462 Ų6240%0.39631%0.309SS..Hα-helixtrans-64-47.1177.3-74.3-17.6000111.1A1656 K1657 D1664A1656-D1660 VanDerWaalsContact O-CB 3.24Å; A1656-D1660 WeakPolarHBondContact O-CB 3.36Å; A1656-D1660 PolarHBondContact O-N 2.91Å; K1657-D1660 PolarHBondContact O-N 3.11Å; D1660-D1664 WeakPolarHBondContact O-CB 3.48Å; D1660-D1664 PolarHBondContact O-N 3.18Å; D1660-D1664 VanDerWaalsContact O-N 3.14Å
1661Y89Confident86.1Confident4 Ų462.2 Ų62.22%0.01631%0.312CS..Hα-helixtrans-80.5-31.6-175.3-61.8-16.4000113.4M1596 K1657 F1658 T1663 S1667 Y1669 M1676M1596-Y1661 PolarHBondContact O-OH 2.96Å; M1596-Y1661 VanDerWaalsContact O-OH 3.08Å; K1657-Y1661 HydrophobicContact CB-CE2 4.39Å; K1657-Y1661 HydrophobicContact CD-CE1 4.17Å; K1657-Y1661 HydrophobicContact CD-CE2 4.41Å; K1657-Y1661 PolarHBondContact NZ-OH 2.73Å; K1657-Y1661 WeakPolarHBondContact O-CB 3.4Å; K1657-Y1661 VanDerWaalsContact O-CG 3.29Å; K1657-Y1661 PolarHBondContact O-N 2.89Å; F1658-Y1661 PolarHBondContact O-N 2.89Å; Y1661-T1663 VanDerWaalsContact C-N 3.32Å; Y1661-S1667 WeakPolarHBondContact O-CB 3.46Å; Y1661-Y1669 WeakPolarHBondContact CD2-OH 3.48Å; Y1661-M1676 HydrophobicContact CD2-CE 3.42Å; Y1661-M1676 VanDerWaalsContact CD2-CE 3.42Å; Y1661-M1676 HydrophobicContact CD2-SD 4.47Å; Y1661-M1676 HydrophobicContact CE2-CE 4.11Å; Y1661-M1676 HydrophobicContact CG-CE 4.25Å
1662T87.5Confident85.9Confident58 Ų5863.6 Ų63.636%0.35633%0.328SS..Hα-helixtrans-76.2-21176.1550000113W1635 F1658W1635-T1662 HydrophobicContact CH2-CG2 4.29Å; W1635-T1662 HydrophobicContact CZ2-CG2 3.98Å; F1658-T1662 HydrophobicContact CD1-CG2 4.3Å; F1658-T1662 HydrophobicContact CD2-CG2 4.33Å; F1658-T1662 HydrophobicContact CE1-CG2 4.1Å; F1658-T1662 HydrophobicContact CE2-CG2 4.11Å; F1658-T1662 HydrophobicContact CG-CG2 4.42Å; F1658-T1662 HydrophobicContact CZ-CG2 4Å; F1658-T1662 VanDerWaalsContact O-CB 3.31Å; F1658-T1662 WeakPolarHBondContact O-CB 3.29Å; F1658-T1662 VanDerWaalsContact O-CG2 3.25Å; F1658-T1662 WeakPolarHBondContact O-CG2 3.34Å; F1658-T1662 PolarHBondContact O-N 2.85Å; F1658-T1662 PolarHBondContact O-OG1 3.22Å
1663T82.4Confident86.1Confident78 Ų7854.7 Ų54.748%0.47930%0.295SS..SBendtrans-104.6-0.4177.667.10000114K135 L1659 Y1661K135-T1663 PolarHBondContact NZ-OG1 2.64Å; L1659-T1663 WeakPolarHBondContact O-CB 3.35Å; L1659-T1663 VanDerWaalsContact O-CG2 3.28Å; L1659-T1663 WeakPolarHBondContact O-CG2 3.27Å; L1659-T1663 PolarHBondContact O-N 3.33Å; L1659-T1663 PolarHBondContact O-OG1 3.41Å; Y1661-T1663 VanDerWaalsContact C-N 3.32Å
1664D76.3Confident86.3Confident39 Ų3953 Ų5321%0.20929%0.289CS..  trans-104.3125.5177.3-175.29.1000110R138 D1660 M1666 S1667R138-D1664 IonicContact NH1-OD2 3.45Å; R138-D1664 PolarHBondContact NH1-OD2 3.39Å; D1660-D1664 WeakPolarHBondContact O-CB 3.48Å; D1660-D1664 PolarHBondContact O-N 3.18Å; D1660-D1664 VanDerWaalsContact O-N 3.14Å; D1664-M1666 PolarHBondContact O-N 3.33Å; D1664-M1666 VanDerWaalsContact O-N 3.14Å; D1664-M1666 PolarHBondContact OD1-N 3.49Å; D1664-S1667 PolarHBondContact O-N 2.61Å; D1664-S1667 VanDerWaalsContact O-N 3.16Å
1665N78.8Confident86.4Confident140 Ų14053 Ų5375%0.74929%0.289SS*.THydrogen-bonded Turntrans-66.9-14.7-178.2-63.3-19.2000113
1666M77.2Confident86.6Confident72 Ų7246.6 Ų46.636%0.35526%0.264SS..THydrogen-bonded Turntrans-73.1-24.2174.4-71.8-161.480.100114.1R138 D143 D1664R138-M1666 PolarHBondContact NH1-SD 2.8Å; D143-M1666 HydrophobicContact CB-CE 4.17Å; D1664-M1666 PolarHBondContact O-N 3.33Å; D1664-M1666 VanDerWaalsContact O-N 3.14Å; D1664-M1666 PolarHBondContact OD1-N 3.49Å
1667S82.4Confident87.1Confident11 Ų1144.7 Ų44.78%0.07725%0.249CC..SBendtrans-100126.3178.6-62.60000108.5S1598 S1599 Y1661 D1664S1598-S1667 WeakPolarHBondContact CA-OG 3.33Å; S1599-S1667 PolarHBondContact N-OG 3.41Å; Y1661-S1667 WeakPolarHBondContact O-CB 3.46Å; D1664-S1667 PolarHBondContact O-N 2.61Å; D1664-S1667 VanDerWaalsContact O-N 3.16Å
1668I85.5Confident87.3Confident128 Ų12843.2 Ų43.266%0.65624%0.242SC*.BIsolated β-bridgetrans-115.1121.6-174.8-58.2174000107.9
1669Y90.8Very high87.5Confident33 Ų3342.9 Ų42.913%0.12924%0.241CC..  trans-116.9147.9173.3-66.2-74.6000110.5A1601 W1635 D1637 Y1661 S1671A1601-Y1669 HydrophobicContact CB-CD1 4.31Å; W1635-Y1669 AromaticContact CD2-CD1 3.63Å; W1635-Y1669 HydrophobicContact CD2-CD1 3.63Å; W1635-Y1669 HydrophobicContact CD2-CE1 4.17Å; W1635-Y1669 HydrophobicContact CD2-CG 4.07Å; W1635-Y1669 AromaticContact CE2-CD1 3.85Å; W1635-Y1669 AromaticContact CE2-CG 3.81Å; W1635-Y1669 AromaticContact CE3-CD1 3.74Å; W1635-Y1669 HydrophobicContact CE3-CD1 3.74Å; W1635-Y1669 AromaticContact CE3-CE1 3.8Å; W1635-Y1669 HydrophobicContact CE3-CE1 3.8Å; W1635-Y1669 HydrophobicContact CE3-CG 4.5Å; W1635-Y1669 HydrophobicContact CG-CD1 4.13Å; W1635-Y1669 HydrophobicContact CH2-CD1 4.29Å; W1635-Y1669 HydrophobicContact CH2-CD2 4.49Å; W1635-Y1669 HydrophobicContact CH2-CE1 4.12Å; W1635-Y1669 HydrophobicContact CH2-CE2 4.31Å; W1635-Y1669 HydrophobicContact CH2-CG 4.47Å; W1635-Y1669 HydrophobicContact CZ2-CD1 4.19Å; W1635-Y1669 HydrophobicContact CZ2-CD2 4.17Å; W1635-Y1669 HydrophobicContact CZ2-CE1 4.47Å; W1635-Y1669 HydrophobicContact CZ2-CE2 4.43Å; W1635-Y1669 HydrophobicContact CZ2-CG 4.03Å; W1635-Y1669 HydrophobicContact CZ3-CD1 4.08Å; W1635-Y1669 AromaticContact CZ3-CE1 3.78Å; W1635-Y1669 HydrophobicContact CZ3-CE1 3.78Å; D1637-Y1669 HydrophobicContact CB-CE1 4.05Å; D1637-Y1669 PolarHBondContact OD2-OH 3.04Å; Y1661-Y1669 WeakPolarHBondContact CD2-OH 3.48Å; Y1669-S1671 VanDerWaalsContact C-N 3.26Å; Y1669-S1671 PolarHBondContact O-N 3.07Å
1670P88.2Confident87.9Confident61 Ų6139.9 Ų39.940%0.39623%0.225SC..SBendtrans-66.6-20.8-176.8-25.236.9000115.5A1601 L1604A1601-P1670 HydrophobicContact CB-CG 4.29Å; L1604-P1670 HydrophobicContact CD1-CB 3.84Å; L1604-P1670 HydrophobicContact CD1-CG 3.93Å; L1604-P1670 HydrophobicContact CD2-CB 4.3Å; L1604-P1670 HydrophobicContact CD2-CG 4.33Å
1671S87.5Confident88.4Confident16 Ų1636.4 Ų36.411%0.11221%0.206CC..SBendtrans-149160.6177.9650000110.4K1633 W1635 Y1669 T1673K1633-S1671 WeakPolarHBondContact O-CB 3.31Å; K1633-S1671 PolarHBondContact O-OG 3.39Å; W1635-S1671 PolarHBondContact NE1-O 3.12Å; Y1669-S1671 VanDerWaalsContact C-N 3.26Å; Y1669-S1671 PolarHBondContact O-N 3.07Å; S1671-T1673 PolarHBondContact O-N 3Å; S1671-T1673 PolarHBondContact OG-O 3.32Å; S1671-T1673 PolarHBondContact OG-OG1 3.01Å
1672P85.7Confident88.6Confident114 Ų11436.3 Ų36.374%0.7421%0.206SC*.SBendtrans-71.2-19.3173.128.4-34.4000112.5
1673T89.6Confident88.8Confident7 Ų733.7 Ų33.74%0.04319%0.19CC..  trans-95.5109.3-178.251.90000111.9V1613 T1631 K1633 F1634 W1635 S1671 N1691V1613-T1673 HydrophobicContact CG2-CG2 4.47Å; T1631-T1673 WeakPolarHBondContact CB-OG1 3.29Å; T1631-T1673 HydrophobicContact CG2-CG2 4.38Å; T1631-T1673 WeakPolarHBondContact CG2-OG1 3.43Å; T1631-T1673 PolarHBondContact OG1-OG1 2.98Å; K1633-T1673 PolarHBondContact O-OG1 2.75Å; K1633-T1673 VanDerWaalsContact O-OG1 3.05Å; F1634-T1673 WeakPolarHBondContact CA-O 3.43Å; W1635-T1673 PolarHBondContact N-O 2.81Å; S1671-T1673 PolarHBondContact O-N 3Å; S1671-T1673 PolarHBondContact OG-O 3.32Å; S1671-T1673 PolarHBondContact OG-OG1 3.01Å; T1673-N1691 WeakPolarHBondContact CA-ND2 3.41Å
1674G92.1Very high89.3Confident0 Ų030.7 Ų30.70%017%0.171CC..EExtended strand (participates in β ladder)trans-164.5-170.2168.500000113.2W1635 F1658 G1690 N1691W1635-G1674 CarbonylContact O-C 3.45Å; W1635-G1674 WeakPolarHBondContact O-CA 3.15Å; F1658-G1674 WeakPolarHBondContact CE2-O 3.41Å; G1674-G1690 WeakPolarHBondContact O-CA 3.39Å; G1674-N1691 PolarHBondContact N-ND2 3.17Å; G1674-N1691 PolarHBondContact O-N 2.97Å; G1674-N1691 PolarHBondContact O-ND2 2.96Å
1675V94.4Very high90Very high0 Ų031.5 Ų31.50%018%0.175CC..EExtended strand (participates in β ladder)trans-132.8138.6-177.365.20000112F1634 W1635 I1636 D1637 A1688 W1692 I1700F1634-V1675 HydrophobicContact CE1-CB 4.3Å; F1634-V1675 HydrophobicContact CE1-CG1 3.65Å; F1634-V1675 HydrophobicContact CZ-CB 3.99Å; F1634-V1675 HydrophobicContact CZ-CG1 3.85Å; W1635-V1675 WeakPolarHBondContact CZ3-O 3.49Å; W1635-V1675 PolarHBondContact O-N 3.14Å; I1636-V1675 WeakPolarHBondContact CA-O 3.34Å; I1636-V1675 HydrophobicContact CB-CG1 4.25Å; I1636-V1675 HydrophobicContact CG1-CG1 3.66Å; I1636-V1675 HydrophobicContact CG2-CG1 4.21Å; D1637-V1675 PolarHBondContact N-O 3.07Å; V1675-A1688 HydrophobicContact CG2-CB 3.89Å; V1675-W1692 HydrophobicContact CG2-CH2 3.72Å; V1675-W1692 HydrophobicContact CG2-CZ2 4.04Å; V1675-W1692 HydrophobicContact CG2-CZ3 4.18Å; V1675-I1700 HydrophobicContact CG1-CD1 4.1Å
1676M94.6Very high90.7Very high0 Ų027.4 Ų27.40%015%0.151CC..EExtended strand (participates in β ladder)trans-108.9121.5174-174.5177.4-66.800110.4D1637 Q1639 K1657 F1658 Y1661 A1688 Y1689D1637-M1676 CarbonylContact O-C 3.48Å; D1637-M1676 WeakPolarHBondContact O-CA 3.48Å; Q1639-M1676 HydrophobicContact CG-CG 3.92Å; Q1639-M1676 HydrophobicContact CG-SD 3.82Å; K1657-M1676 HydrophobicContact CB-CE 4.35Å; K1657-M1676 HydrophobicContact CB-SD 3.45Å; K1657-M1676 WeakPolarHBondContact CB-SD 3.42Å; F1658-M1676 HydrophobicContact CB-CB 4.32Å; F1658-M1676 HydrophobicContact CB-CE 4.37Å; F1658-M1676 HydrophobicContact CB-SD 4.32Å; F1658-M1676 HydrophobicContact CD2-CB 3.99Å; F1658-M1676 PolarHBondContact N-SD 2.59Å; Y1661-M1676 HydrophobicContact CD2-CE 3.42Å; Y1661-M1676 VanDerWaalsContact CD2-CE 3.42Å; Y1661-M1676 HydrophobicContact CD2-SD 4.47Å; Y1661-M1676 HydrophobicContact CE2-CE 4.11Å; Y1661-M1676 HydrophobicContact CG-CE 4.25Å; M1676-A1688 WeakPolarHBondContact O-CA 3.39Å; M1676-Y1689 PolarHBondContact N-O 3.22Å; M1676-Y1689 PolarHBondContact O-N 3.23Å
1677I95.6Very high91.5Very high1 Ų124.2 Ų24.21%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-100121.7176.9-57.1175.8000108.3I1567 I1636 D1637 I1638 Q1639 I1679 A1688 I1700 M1704I1567-I1677 HydrophobicContact CD1-CD1 3.55Å; I1636-I1677 HydrophobicContact CG2-CD1 3.85Å; I1636-I1677 HydrophobicContact CG2-CG1 4.31Å; D1637-I1677 PolarHBondContact O-N 3.32Å; I1638-I1677 CarbonylContact C-O 3.53Å; I1638-I1677 WeakPolarHBondContact CA-O 3.22Å; Q1639-I1677 PolarHBondContact N-O 2.92Å; I1677-I1679 HydrophobicContact CG2-CG1 4.48Å; I1677-A1688 HydrophobicContact CG1-CB 4Å; I1677-I1700 HydrophobicContact CD1-CD1 4.45Å; I1677-I1700 HydrophobicContact CD1-CG2 4.18Å; I1677-M1704 HydrophobicContact CD1-SD 4.4Å; I1677-M1704 HydrophobicContact CG2-CE 3.87Å; I1677-M1704 HydrophobicContact CG2-SD 3.94Å
1678A95Very high92.1Very high0 Ų023.8 Ų23.80%013%0.133CC..EExtended strand (participates in β ladder)trans-111133.3178.400000111.2Q1639 I1650 Y1653 A1654 H1686 S1687Q1639-A1678 CarbonylContact O-C 3.59Å; Q1639-A1678 WeakPolarHBondContact O-CA 3.47Å; I1650-A1678 HydrophobicContact CD1-CB 3.57Å; I1650-A1678 HydrophobicContact CG1-CB 3.94Å; I1650-A1678 WeakPolarHBondContact CG1-O 3.45Å; Y1653-A1678 HydrophobicContact CD1-CB 3.93Å; Y1653-A1678 HydrophobicContact CE1-CB 4.37Å; A1654-A1678 HydrophobicContact CB-CB 3.88Å; A1678-H1686 VanDerWaalsContact O-CA 3.25Å; A1678-H1686 WeakPolarHBondContact O-CA 3.39Å; A1678-S1687 PolarHBondContact N-O 3.05Å; A1678-S1687 PolarHBondContact O-N 2.65Å
1679I95.2Very high92.5Very high1 Ų118.9 Ų18.91%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-124.1122.5179.4-54.4174.8000110V1563 I1638 Q1639 L1640 R1641 I1677 L1681 L1685 H1686 M1704 M1708V1563-I1679 HydrophobicContact CG1-CD1 3.97Å; V1563-I1679 HydrophobicContact CG2-CD1 4.25Å; I1638-I1679 HydrophobicContact CG2-CD1 4.35Å; Q1639-I1679 PolarHBondContact O-N 2.95Å; L1640-I1679 HydrophobicContact CD2-CB 4.06Å; L1640-I1679 HydrophobicContact CD2-CD1 4.27Å; R1641-I1679 PolarHBondContact N-O 3.01Å; I1677-I1679 HydrophobicContact CG2-CG1 4.48Å; I1679-L1681 HydrophobicContact CG2-CD2 4.12Å; I1679-L1685 CarbonylContact C-O 3.16Å; I1679-L1685 WeakPolarHBondContact CA-O 3.18Å; I1679-H1686 HydrophobicContact CG1-CB 4.35Å; I1679-M1704 HydrophobicContact CD1-CE 3.82Å; I1679-M1704 HydrophobicContact CG1-CE 4.06Å; I1679-M1708 HydrophobicContact CG2-CE 4.2Å; I1679-M1708 HydrophobicContact CG2-SD 3.94Å
1680D94.8Very high92.5Very high0 Ų017.3 Ų17.30%010%0.1CC..EExtended strand (participates in β ladder)trans-91.3110170.4-166.8-19000111.1G1643 I1650 A1682 N1684 L1685G1643-D1680 WeakPolarHBondContact CA-OD2 3.09Å; G1643-D1680 PolarHBondContact N-OD1 3.36Å; G1643-D1680 PolarHBondContact N-OD2 2.93Å; I1650-D1680 HydrophobicContact CD1-CB 4.18Å; D1680-A1682 VanDerWaalsContact C-N 3.32Å; D1680-A1682 PolarHBondContact O-N 3.26Å; D1680-A1682 WeakPolarHBondContact OD1-CB 3.33Å; D1680-A1682 PolarHBondContact OD1-N 3.04Å; D1680-N1684 WeakPolarHBondContact O-CA 3.44Å; D1680-N1684 PolarHBondContact O-N 3.11Å; D1680-L1685 HydrophobicContact CB-CB 4.3Å; D1680-L1685 PolarHBondContact N-O 3.03Å; D1680-L1685 PolarHBondContact O-N 3.27Å
1681L94.8Very high92.7Very high1 Ų115.1 Ų15.11%0.0059%0.085CC..THydrogen-bonded Turntrans-72.8-20.7-179.6-60.9-176000113.8F1551 W1556 I1559 L1640 R1641 W1642 I1679 L1714 L1717F1551-L1681 HydrophobicContact CE1-CD1 4.05Å; F1551-L1681 HydrophobicContact CZ-CD1 4.29Å; W1556-L1681 HydrophobicContact CD2-CD1 4.39Å; W1556-L1681 HydrophobicContact CE3-CD1 3.78Å; W1556-L1681 HydrophobicContact CH2-CD1 4.07Å; W1556-L1681 HydrophobicContact CZ3-CD1 3.61Å; I1559-L1681 HydrophobicContact CD1-CD1 4.19Å; I1559-L1681 HydrophobicContact CD1-CD2 4.46Å; I1559-L1681 HydrophobicContact CG2-CD2 4.13Å; L1640-L1681 HydrophobicContact CD1-CD1 4.41Å; L1640-L1681 HydrophobicContact CD2-CD2 4.36Å; R1641-L1681 WeakPolarHBondContact O-CB 3.23Å; R1641-L1681 PolarHBondContact O-N 2.84Å; W1642-L1681 HydrophobicContact CE3-CB 3.86Å; W1642-L1681 HydrophobicContact CZ3-CB 4.18Å; I1679-L1681 HydrophobicContact CG2-CD2 4.12Å; L1681-L1714 HydrophobicContact CD2-CD2 3.75Å; L1681-L1717 HydrophobicContact CB-CD2 3.9Å; L1681-L1717 HydrophobicContact CD1-CD2 4.34Å; L1681-L1717 HydrophobicContact CD2-CD2 4.02Å; L1681-L1717 HydrophobicContact CG-CD2 4.31Å
1682A92.5Very high92.9Very high2 Ų214.4 Ų14.42%0.0178%0.08CC..THydrogen-bonded Turntrans-81.9-32.618000000112G1466 W1642 D1680G1466-A1682 WeakPolarHBondContact CA-O 3.4Å; G1466-A1682 PolarHBondContact N-O 3.1Å; W1642-A1682 HydrophobicContact CD2-CB 3.82Å; W1642-A1682 HydrophobicContact CE3-CB 4.07Å; W1642-A1682 HydrophobicContact CG-CB 4.23Å; W1642-A1682 HydrophobicContact CH2-CB 4.36Å; W1642-A1682 HydrophobicContact CZ2-CB 4.14Å; W1642-A1682 HydrophobicContact CZ3-CB 4.3Å; D1680-A1682 VanDerWaalsContact C-N 3.32Å; D1680-A1682 PolarHBondContact O-N 3.26Å; D1680-A1682 WeakPolarHBondContact OD1-CB 3.33Å; D1680-A1682 PolarHBondContact OD1-N 3.04Å
1683Y92.3Very high93.1Very high4 Ų49 Ų92%0.0165%0.045CC..THydrogen-bonded Turntrans-113.3-2.4-177-71.2-86.3000113.8E1460 K1465 P1514 H1648 L1685E1460-Y1683 PolarHBondContact O-OH 2.78Å; E1460-Y1683 VanDerWaalsContact O-OH 3.08Å; K1465-Y1683 HydrophobicContact CB-CD1 4.02Å; K1465-Y1683 WeakPolarHBondContact CB-O 3.21Å; K1465-Y1683 HydrophobicContact CD-CD1 4.03Å; K1465-Y1683 HydrophobicContact CG-CD1 4.28Å; P1514-Y1683 HydrophobicContact CB-CE2 4.5Å; P1514-Y1683 WeakPolarHBondContact CB-OH 3.08Å; H1648-Y1683 HydrophobicContact CB-CD2 3.48Å; H1648-Y1683 VanDerWaalsContact CB-CD2 3.48Å; H1648-Y1683 HydrophobicContact CB-CE2 3.46Å; H1648-Y1683 VanDerWaalsContact CB-CE2 3.46Å; H1648-Y1683 HydrophobicContact CB-CG 4.16Å; H1648-Y1683 AromaticContact CG-CE2 4Å; Y1683-L1685 PolarHBondContact O-N 2.65Å
1684N92Very high92.9Very high14 Ų1411.9 Ų11.98%0.0756%0.064CC..THydrogen-bonded Turntrans52.935.8-173.8-70.6-74.2000113.1K1465 G1466 Y1468 D1680 M1708 R1718K1465-N1684 PolarHBondContact O-ND2 3Å; G1466-N1684 WeakPolarHBondContact CA-ND2 3.32Å; G1466-N1684 PolarHBondContact O-ND2 3.25Å; Y1468-N1684 HydrophobicContact CD2-CB 3.78Å; Y1468-N1684 HydrophobicContact CE2-CB 4.28Å; D1680-N1684 WeakPolarHBondContact O-CA 3.44Å; D1680-N1684 PolarHBondContact O-N 3.11Å; N1684-M1708 HydrophobicContact CB-CE 4.06Å; N1684-M1708 VanDerWaalsContact O-CE 3.27Å; N1684-M1708 WeakPolarHBondContact O-CE 3.29Å; N1684-R1718 PolarHBondContact OD1-NE 3.42Å; N1684-R1718 VanDerWaalsContact OD1-NE 3.11Å; N1684-R1718 PolarHBondContact OD1-NH2 3.29Å
1685L91.3Very high92.6Very high56 Ų5613.8 Ų13.829%0.2938%0.083SC..EExtended strand (participates in β ladder)trans-95.7149.4176.7-59.7175.7000110.2I1650 I1679 D1680 Y1683I1650-L1685 HydrophobicContact CB-CB 4.33Å; I1650-L1685 HydrophobicContact CG2-CB 4Å; I1679-L1685 CarbonylContact C-O 3.16Å; I1679-L1685 WeakPolarHBondContact CA-O 3.18Å; D1680-L1685 HydrophobicContact CB-CB 4.3Å; D1680-L1685 PolarHBondContact N-O 3.03Å; D1680-L1685 PolarHBondContact O-N 3.27Å; Y1683-L1685 PolarHBondContact O-N 2.65Å
1686H93.6Very high92.3Very high54 Ų5413.8 Ų13.825%0.258%0.083CC..EExtended strand (participates in β ladder)trans-141150.817466.2-78.6000110.6A1678 I1679 M1704 M1708A1678-H1686 VanDerWaalsContact O-CA 3.25Å; A1678-H1686 WeakPolarHBondContact O-CA 3.39Å; I1679-H1686 HydrophobicContact CG1-CB 4.35Å; H1686-M1704 HydrophobicContact CB-CE 4.09Å; H1686-M1708 HydrophobicContact CB-CG 4.49Å
1687S94.4Very high92.1Very high6 Ų614.6 Ų14.64%0.0429%0.087CC..EExtended strand (participates in β ladder)trans-157.5166.8170.1-175.60000109.4A1678A1678-S1687 PolarHBondContact N-O 3.05Å; A1678-S1687 PolarHBondContact O-N 2.65Å
1688A93.7Very high91.7Very high1 Ų117.9 Ų17.91%0.00811%0.108CC..EExtended strand (participates in β ladder)trans-134.9148173.900000111L1619 V1675 M1676 I1677 W1692L1619-A1688 HydrophobicContact CB-CB 4.1Å; L1619-A1688 HydrophobicContact CD2-CB 4.41Å; L1619-A1688 PolarHBondContact N-O 3.18Å; V1675-A1688 HydrophobicContact CG2-CB 3.89Å; M1676-A1688 WeakPolarHBondContact O-CA 3.39Å; I1677-A1688 HydrophobicContact CG1-CB 4Å; A1688-W1692 HydrophobicContact CB-CH2 3.96Å; A1688-W1692 HydrophobicContact CB-CZ2 4.31Å
1689Y94.2Very high91.5Very high26 Ų2619.1 Ų19.110%0.10211%0.114CC..EExtended strand (participates in β ladder)trans-137.4132.4173.9-175.2-100.7000109.4P1616 S1617 L1618 R1655 F1658 M1676P1616-Y1689 HydrophobicContact CB-CE1 3.91Å; P1616-Y1689 PolarHBondContact O-OH 3.16Å; S1617-Y1689 WeakPolarHBondContact O-CD2 3.48Å; L1618-Y1689 HydrophobicContact CD2-CD2 3.78Å; L1618-Y1689 HydrophobicContact CD2-CG 4.46Å; L1618-Y1689 HydrophobicContact CG-CD2 3.98Å; R1655-Y1689 HydrophobicContact CB-CD1 4.14Å; R1655-Y1689 HydrophobicContact CB-CD2 4.2Å; R1655-Y1689 HydrophobicContact CB-CE1 4.41Å; R1655-Y1689 HydrophobicContact CB-CG 4.01Å; R1655-Y1689 HydrophobicContact CG-CD1 4.16Å; R1655-Y1689 HydrophobicContact CG-CD2 4.34Å; R1655-Y1689 HydrophobicContact CG-CE1 3.92Å; R1655-Y1689 HydrophobicContact CG-CE2 4.15Å; R1655-Y1689 HydrophobicContact CG-CG 4.35Å; F1658-Y1689 HydrophobicContact CB-CD1 3.67Å; F1658-Y1689 HydrophobicContact CB-CE1 4.38Å; F1658-Y1689 AromaticContact CD1-CD1 3.53Å; F1658-Y1689 HydrophobicContact CD1-CD1 3.53Å; F1658-Y1689 AromaticContact CD1-CE1 3.53Å; F1658-Y1689 HydrophobicContact CD1-CE1 3.53Å; F1658-Y1689 HydrophobicContact CD2-CD1 4.39Å; F1658-Y1689 WeakPolarHBondContact CD2-O 3.44Å; F1658-Y1689 HydrophobicContact CE1-CD1 4.25Å; F1658-Y1689 HydrophobicContact CE1-CE1 4.06Å; F1658-Y1689 AromaticContact CG-CD1 3.61Å; F1658-Y1689 HydrophobicContact CG-CD1 3.61Å; F1658-Y1689 HydrophobicContact CG-CE1 4.12Å; M1676-Y1689 PolarHBondContact N-O 3.22Å; M1676-Y1689 PolarHBondContact O-N 3.23Å
1690G92.2Very high91.3Very high0 Ų019.2 Ų19.20%012%0.115CC..EExtended strand (participates in β ladder)trans162.3-168.7-179.600000112.8P1616 S1617 G1674 W1692P1616-G1690 CarbonylContact C-O 3.52Å; P1616-G1690 VanDerWaalsContact CA-O 3.23Å; P1616-G1690 WeakPolarHBondContact CA-O 3.29Å; S1617-G1690 PolarHBondContact N-O 3.42Å; S1617-G1690 PolarHBondContact O-N 3.04Å; G1674-G1690 WeakPolarHBondContact O-CA 3.39Å; G1690-W1692 PolarHBondContact O-NE1 3.44Å; G1690-W1692 VanDerWaalsContact O-NE1 3.15Å
1691N92.3Very high91.1Very high14 Ų1424.2 Ų24.28%0.07514%0.138CC..  trans-83.2149.5178.2-50.3-79.1000109.9V1613 S1614 P1616 F1634 T1673 G1674V1613-N1691 HydrophobicContact CG1-CB 3.46Å; V1613-N1691 VanDerWaalsContact CG1-CB 3.46Å; S1614-N1691 PolarHBondContact O-OD1 2.79Å; P1616-N1691 WeakPolarHBondContact CD-OD1 3.3Å; P1616-N1691 VanDerWaalsContact CG-OD1 3.25Å; P1616-N1691 WeakPolarHBondContact CG-OD1 3.38Å; F1634-N1691 WeakPolarHBondContact CE2-O 3.3Å; F1634-N1691 WeakPolarHBondContact CZ-O 3.47Å; T1673-N1691 WeakPolarHBondContact CA-ND2 3.41Å; G1674-N1691 PolarHBondContact N-ND2 3.17Å; G1674-N1691 PolarHBondContact O-N 2.97Å; G1674-N1691 PolarHBondContact O-ND2 2.96Å
1692W91.4Very high90.8Very high1 Ų130.7 Ų30.70%0.00417%0.168CC..  trans-126.5130.1-177.7-54.297.1000110.6V1613 S1614 S1617 L1619 V1675 A1688 G1690 C1696 K1697 I1700V1613-W1692 WeakPolarHBondContact CG1-O 3.32Å; S1614-W1692 PolarHBondContact N-O 3.34Å; S1614-W1692 PolarHBondContact OG-N 3.27Å; S1614-W1692 PolarHBondContact OG-O 3.01Å; S1617-W1692 PolarHBondContact O-NE1 2.74Å; S1617-W1692 VanDerWaalsContact O-NE1 3.11Å; S1617-W1692 PolarHBondContact OG-NE1 3.42Å; S1617-W1692 VanDerWaalsContact OG-NE1 3.12Å; L1619-W1692 HydrophobicContact CB-CH2 4.42Å; L1619-W1692 HydrophobicContact CB-CZ2 4.36Å; L1619-W1692 HydrophobicContact CD1-CH2 3.6Å; L1619-W1692 HydrophobicContact CD1-CZ2 4.26Å; L1619-W1692 HydrophobicContact CD1-CZ3 4.2Å; V1675-W1692 HydrophobicContact CG2-CH2 3.72Å; V1675-W1692 HydrophobicContact CG2-CZ2 4.04Å; V1675-W1692 HydrophobicContact CG2-CZ3 4.18Å; A1688-W1692 HydrophobicContact CB-CH2 3.96Å; A1688-W1692 HydrophobicContact CB-CZ2 4.31Å; G1690-W1692 PolarHBondContact O-NE1 3.44Å; G1690-W1692 VanDerWaalsContact O-NE1 3.15Å; W1692-C1696 HydrophobicContact CE3-CB 4.49Å; W1692-K1697 HydrophobicContact CD2-CB 3.89Å; W1692-K1697 HydrophobicContact CD2-CD 4.15Å; W1692-K1697 HydrophobicContact CD2-CG 3.91Å; W1692-K1697 HydrophobicContact CE3-CB 3.56Å; W1692-K1697 HydrophobicContact CE3-CG 3.86Å; W1692-K1697 HydrophobicContact CG-CB 4.31Å; W1692-K1697 HydrophobicContact CG-CD 4.26Å; W1692-K1697 HydrophobicContact CG-CG 4.47Å; W1692-K1697 HydrophobicContact CH2-CG 4.35Å; W1692-K1697 HydrophobicContact CZ2-CG 4.42Å; W1692-K1697 HydrophobicContact CZ3-CB 4.04Å; W1692-K1697 HydrophobicContact CZ3-CG 4.06Å; W1692-I1700 HydrophobicContact CZ3-CB 4.35Å; W1692-I1700 HydrophobicContact CZ3-CD1 3.99Å
1693F90.1Very high90.6Very high2 Ų231.1 Ų31.11%0.00917%0.172CC..  trans-96.5160166.764.6-91000110F1571 L1578 L1605 W1611 F1634 G1695 C1696F1571-F1693 HydrophobicContact CE1-CZ 4.47Å; L1578-F1693 HydrophobicContact CB-CE2 4.15Å; L1578-F1693 HydrophobicContact CD1-CE2 4.31Å; L1578-F1693 HydrophobicContact CD1-CZ 4.45Å; L1578-F1693 HydrophobicContact CD2-CE2 4.16Å; L1578-F1693 HydrophobicContact CG-CE2 4.45Å; L1605-F1693 HydrophobicContact CD1-CE1 4.05Å; L1605-F1693 HydrophobicContact CD1-CZ 4.02Å; W1611-F1693 HydrophobicContact CB-CB 4.02Å; W1611-F1693 HydrophobicContact CD2-CB 4.48Å; W1611-F1693 HydrophobicContact CD2-CD1 4.5Å; W1611-F1693 HydrophobicContact CD2-CD2 4.22Å; W1611-F1693 HydrophobicContact CD2-CG 4.17Å; W1611-F1693 HydrophobicContact CE3-CD1 4.38Å; W1611-F1693 HydrophobicContact CE3-CG 4.49Å; W1611-F1693 HydrophobicContact CG-CB 4.1Å; W1611-F1693 HydrophobicContact CG-CD2 4.31Å; W1611-F1693 HydrophobicContact CG-CG 4.24Å; W1611-F1693 HydrophobicContact CZ2-CE2 4.37Å; W1611-F1693 HydrophobicContact CZ2-CZ 4.49Å; F1634-F1693 HydrophobicContact CD1-CD1 4.37Å; F1634-F1693 AromaticContact CD1-CE1 3.87Å; F1634-F1693 HydrophobicContact CD1-CE1 3.87Å; F1634-F1693 AromaticContact CD2-CD1 3.9Å; F1634-F1693 HydrophobicContact CD2-CD1 3.9Å; F1634-F1693 HydrophobicContact CD2-CE1 4.23Å; F1634-F1693 HydrophobicContact CE1-CD1 4.4Å; F1634-F1693 AromaticContact CE1-CE1 3.99Å; F1634-F1693 HydrophobicContact CE1-CE1 3.99Å; F1634-F1693 AromaticContact CE2-CD1 3.95Å; F1634-F1693 HydrophobicContact CE2-CD1 3.95Å; F1634-F1693 HydrophobicContact CE2-CE1 4.35Å; F1634-F1693 HydrophobicContact CG-CD1 4.11Å; F1634-F1693 AromaticContact CG-CE1 3.98Å; F1634-F1693 HydrophobicContact CG-CE1 3.98Å; F1634-F1693 HydrophobicContact CZ-CD1 4.2Å; F1634-F1693 HydrophobicContact CZ-CE1 4.23Å; F1693-G1695 PolarHBondContact O-N 2.91Å; F1693-C1696 HydrophobicContact CD1-CB 3.74Å; F1693-C1696 HydrophobicContact CD2-CB 3.95Å; F1693-C1696 HydrophobicContact CE1-CB 3.55Å; F1693-C1696 VanDerWaalsContact CE1-SG 3.52Å; F1693-C1696 HydrophobicContact CE2-CB 3.77Å; F1693-C1696 HydrophobicContact CG-CB 3.93Å; F1693-C1696 HydrophobicContact CZ-CB 3.58Å; F1693-C1696 VanDerWaalsContact O-CB 3.31Å; F1693-C1696 WeakPolarHBondContact O-CB 3.46Å; F1693-C1696 PolarHBondContact O-N 2.96Å; F1693-C1696 VanDerWaalsContact O-N 3.13Å
1694P84.8Confident90.6Very high67 Ų6731 Ų3144%0.43517%0.171SC..THydrogen-bonded Turntrans-51.4130-177.7-28.535.4000112.6P1612 C1696P1612-P1694 HydrophobicContact CG-CG 4.3Å; P1612-P1694 VanDerWaalsContact O-CD 3.29Å; P1612-P1694 WeakPolarHBondContact O-CD 3.43Å; P1694-C1696 VanDerWaalsContact C-N 3.3Å; P1694-C1696 PolarHBondContact O-N 3.37Å
1695G85.8Confident90.4Very high39 Ų3934.5 Ų34.540%0.40219%0.194SC..THydrogen-bonded Turntrans84.8-22.4-179.800000116.1F1693 P1698 L1699F1693-G1695 PolarHBondContact O-N 2.91Å; G1695-P1698 WeakPolarHBondContact O-CD 3.31Å; G1695-P1698 WeakPolarHBondContact O-CG 3.47Å; G1695-L1699 PolarHBondContact O-N 3.45Å
1696C87.7Confident90.2Very high0 Ų039.1 Ų39.10%021%0.211CC..Hα-helixtrans-64.2-46.1-176.2-175.40000113.8W1692 F1693 P1694 L1699 I1700W1692-C1696 HydrophobicContact CE3-CB 4.49Å; F1693-C1696 HydrophobicContact CD1-CB 3.74Å; F1693-C1696 HydrophobicContact CD2-CB 3.95Å; F1693-C1696 HydrophobicContact CE1-CB 3.55Å; F1693-C1696 VanDerWaalsContact CE1-SG 3.52Å; F1693-C1696 HydrophobicContact CE2-CB 3.77Å; F1693-C1696 HydrophobicContact CG-CB 3.93Å; F1693-C1696 HydrophobicContact CZ-CB 3.58Å; F1693-C1696 VanDerWaalsContact O-CB 3.31Å; F1693-C1696 WeakPolarHBondContact O-CB 3.46Å; F1693-C1696 PolarHBondContact O-N 2.96Å; F1693-C1696 VanDerWaalsContact O-N 3.13Å; P1694-C1696 VanDerWaalsContact C-N 3.3Å; P1694-C1696 PolarHBondContact O-N 3.37Å; C1696-L1699 PolarHBondContact O-N 2.9Å; C1696-I1700 PolarHBondContact O-N 3.2Å
1697K89.6Confident90Very high18 Ų1837 Ų378%0.07820%0.202CC..Hα-helixtrans-61-52.6-175.6-165.7177.7-157.1164.80114.4S1617 L1618 L1619 D1621 D1624 W1692 L1699 I1700 Q1701S1617-K1697 PolarHBondContact OG-NZ 3.44Å; L1618-K1697 WeakPolarHBondContact O-CE 3.29Å; L1618-K1697 PolarHBondContact O-NZ 2.93Å; L1619-K1697 HydrophobicContact CD1-CG 4.32Å; L1619-K1697 WeakPolarHBondContact O-CE 3.1Å; D1621-K1697 WeakPolarHBondContact O-CE 3.34Å; D1621-K1697 PolarHBondContact O-NZ 3.25Å; D1624-K1697 IonicContact OD1-NZ 3.55Å; D1624-K1697 PolarHBondContact OD1-NZ 3.5Å; D1624-K1697 WeakPolarHBondContact OD2-CD 3.05Å; D1624-K1697 IonicContact OD2-NZ 3.65Å; D1624-K1697 PolarHBondContact OD2-NZ 2.83Å; W1692-K1697 HydrophobicContact CD2-CB 3.89Å; W1692-K1697 HydrophobicContact CD2-CD 4.15Å; W1692-K1697 HydrophobicContact CD2-CG 3.91Å; W1692-K1697 HydrophobicContact CE3-CB 3.56Å; W1692-K1697 HydrophobicContact CE3-CG 3.86Å; W1692-K1697 HydrophobicContact CG-CB 4.31Å; W1692-K1697 HydrophobicContact CG-CD 4.26Å; W1692-K1697 HydrophobicContact CG-CG 4.47Å; W1692-K1697 HydrophobicContact CH2-CG 4.35Å; W1692-K1697 HydrophobicContact CZ2-CG 4.42Å; W1692-K1697 HydrophobicContact CZ3-CB 4.04Å; W1692-K1697 HydrophobicContact CZ3-CG 4.06Å; K1697-L1699 VanDerWaalsContact C-N 3.29Å; K1697-L1699 PolarHBondContact O-N 3.48Å; K1697-I1700 PolarHBondContact O-N 2.88Å; K1697-Q1701 PolarHBondContact O-N 3.13Å
1698P89Confident89.7Confident69 Ų6937 Ų3745%0.44820%0.201SC..Hα-helixtrans-63.2-34.6176.724.2-33.8000112.5G1695 Q1701 Q1702G1695-P1698 WeakPolarHBondContact O-CD 3.31Å; G1695-P1698 WeakPolarHBondContact O-CG 3.47Å; P1698-Q1701 PolarHBondContact O-N 3.31Å; P1698-Q1702 WeakPolarHBondContact O-CG 3.34Å; P1698-Q1702 PolarHBondContact O-N 3.28Å; P1698-Q1702 VanDerWaalsContact O-N 3.09Å
1699L90.4Very high89.1Confident26 Ų2644.7 Ų44.714%0.13623%0.234CC..Hα-helixtrans-61.7-51.9176-17965.4000111.3V1570 F1571 E1574 L1578 G1695 C1696 K1697 Q1701 Q1702 A1703V1570-L1699 HydrophobicContact CG1-CD1 3.7Å; V1570-L1699 HydrophobicContact CG1-CD2 4.18Å; V1570-L1699 HydrophobicContact CG1-CG 3.97Å; F1571-L1699 HydrophobicContact CD1-CD2 4.01Å; F1571-L1699 HydrophobicContact CE1-CD2 3.85Å; F1571-L1699 HydrophobicContact CZ-CD2 4.36Å; E1574-L1699 HydrophobicContact CB-CD2 4.2Å; E1574-L1699 HydrophobicContact CG-CD1 3.97Å; E1574-L1699 HydrophobicContact CG-CD2 4.16Å; L1578-L1699 HydrophobicContact CD1-CD2 3.54Å; G1695-L1699 PolarHBondContact O-N 3.45Å; C1696-L1699 PolarHBondContact O-N 2.9Å; K1697-L1699 VanDerWaalsContact C-N 3.29Å; K1697-L1699 PolarHBondContact O-N 3.48Å; L1699-Q1701 VanDerWaalsContact C-N 3.29Å; L1699-Q1701 PolarHBondContact O-N 2.88Å; L1699-Q1702 PolarHBondContact O-N 3.35Å; L1699-A1703 VanDerWaalsContact O-CB 3.23Å; L1699-A1703 WeakPolarHBondContact O-CB 3.44Å; L1699-A1703 PolarHBondContact O-N 3Å
1700I91.1Very high88.3Confident4 Ų446.8 Ų46.82%0.02126%0.257CS..Hα-helixtrans-61.6-38.3179.3-69-170.5000111.1F1571 L1619 V1675 I1677 W1692 C1696 K1697 A1703 M1704F1571-I1700 HydrophobicContact CE2-CG1 4.47Å; F1571-I1700 HydrophobicContact CZ-CD1 4.14Å; F1571-I1700 HydrophobicContact CZ-CG1 4.09Å; L1619-I1700 HydrophobicContact CD1-CB 4.36Å; L1619-I1700 HydrophobicContact CD1-CG2 3.99Å; V1675-I1700 HydrophobicContact CG1-CD1 4.1Å; I1677-I1700 HydrophobicContact CD1-CD1 4.45Å; I1677-I1700 HydrophobicContact CD1-CG2 4.18Å; W1692-I1700 HydrophobicContact CZ3-CB 4.35Å; W1692-I1700 HydrophobicContact CZ3-CD1 3.99Å; C1696-I1700 PolarHBondContact O-N 3.2Å; K1697-I1700 PolarHBondContact O-N 2.88Å; I1700-A1703 PolarHBondContact O-N 3.42Å; I1700-M1704 HydrophobicContact CG2-CG 4.01Å; I1700-M1704 WeakPolarHBondContact O-CB 3.48Å; I1700-M1704 VanDerWaalsContact O-CG 3.27Å; I1700-M1704 WeakPolarHBondContact O-CG 3.17Å; I1700-M1704 PolarHBondContact O-N 3.21Å
1701Q89.5Confident87.8Confident105 Ų10546.9 Ų46.949%0.49126%0.257SS..Hα-helixtrans-60.8-48.2177.4-171.1178.82.300111.9L1619 K1697 P1698 L1699 V1705L1619-Q1701 HydrophobicContact CD1-CB 4.19Å; K1697-Q1701 PolarHBondContact O-N 3.13Å; P1698-Q1701 PolarHBondContact O-N 3.31Å; L1699-Q1701 VanDerWaalsContact C-N 3.29Å; L1699-Q1701 PolarHBondContact O-N 2.88Å; Q1701-V1705 WeakPolarHBondContact O-CG2 3.4Å; Q1701-V1705 PolarHBondContact O-N 3.3Å
1702Q89.2Confident87Confident136 Ų13648.1 Ų48.164%0.63627%0.266SS*.Hα-helixtrans-67.2-43178-67.9179.27.500111.9P1698 L1699 M1704 V1705 K1706P1698-Q1702 WeakPolarHBondContact O-CG 3.34Å; P1698-Q1702 PolarHBondContact O-N 3.28Å; P1698-Q1702 VanDerWaalsContact O-N 3.09Å; L1699-Q1702 PolarHBondContact O-N 3.35Å; Q1702-M1704 PolarHBondContact O-N 3.39Å; Q1702-V1705 PolarHBondContact O-N 3.49Å; Q1702-K1706 PolarHBondContact O-N 3.28Å; Q1702-K1706 VanDerWaalsContact O-N 3.14Å
1703A89.1Confident86.7Confident11 Ų1148 Ų489%0.09127%0.266CS..Hα-helixtrans-59.6-48.817900000111.5V1570 L1699 I1700 V1705 K1706 I1707V1570-A1703 HydrophobicContact CG1-CB 3.98Å; V1570-A1703 HydrophobicContact CG2-CB 4.23Å; L1699-A1703 VanDerWaalsContact O-CB 3.23Å; L1699-A1703 WeakPolarHBondContact O-CB 3.44Å; L1699-A1703 PolarHBondContact O-N 3Å; I1700-A1703 PolarHBondContact O-N 3.42Å; A1703-V1705 PolarHBondContact O-N 3.39Å; A1703-K1706 PolarHBondContact O-N 2.95Å; A1703-I1707 WeakPolarHBondContact O-CB 3.48Å; A1703-I1707 VanDerWaalsContact O-CG1 3.24Å; A1703-I1707 WeakPolarHBondContact O-CG1 3.41Å; A1703-I1707 PolarHBondContact O-N 3.2Å
1704M91.4Very high86.6Confident1 Ų148 Ų481%0.00527%0.266CS..Hα-helixtrans-66.1-36.9-178-73.2-55.5-56.700112.8I1567 I1677 I1679 H1686 I1700 Q1702 K1706 I1707 M1708I1567-M1704 HydrophobicContact CD1-SD 3.94Å; I1677-M1704 HydrophobicContact CD1-SD 4.4Å; I1677-M1704 HydrophobicContact CG2-CE 3.87Å; I1677-M1704 HydrophobicContact CG2-SD 3.94Å; I1679-M1704 HydrophobicContact CD1-CE 3.82Å; I1679-M1704 HydrophobicContact CG1-CE 4.06Å; H1686-M1704 HydrophobicContact CB-CE 4.09Å; I1700-M1704 HydrophobicContact CG2-CG 4.01Å; I1700-M1704 WeakPolarHBondContact O-CB 3.48Å; I1700-M1704 VanDerWaalsContact O-CG 3.27Å; I1700-M1704 WeakPolarHBondContact O-CG 3.17Å; I1700-M1704 PolarHBondContact O-N 3.21Å; Q1702-M1704 PolarHBondContact O-N 3.39Å; M1704-K1706 VanDerWaalsContact C-N 3.33Å; M1704-K1706 PolarHBondContact O-N 3.09Å; M1704-I1707 HydrophobicContact SD-CD1 4.42Å; M1704-M1708 HydrophobicContact CE-CG 4.41Å; M1704-M1708 VanDerWaalsContact O-CB 3.27Å; M1704-M1708 WeakPolarHBondContact O-CB 3.45Å; M1704-M1708 WeakPolarHBondContact O-CG 3.05Å; M1704-M1708 PolarHBondContact O-N 3.46Å
1705V87.9Confident86.6Confident89 Ų8949 Ų4954%0.53926%0.261SS..Hα-helixtrans-61.2-43.6173.3171.50000110.9Q1701 Q1702 A1703 K1709Q1701-V1705 WeakPolarHBondContact O-CG2 3.4Å; Q1701-V1705 PolarHBondContact O-N 3.3Å; Q1702-V1705 PolarHBondContact O-N 3.49Å; A1703-V1705 PolarHBondContact O-N 3.39Å; V1705-K1709 PolarHBondContact O-N 2.84Å
1706K87.4Confident86.6Confident153 Ų15347.3 Ų47.367%0.66524%0.243SC*.Hα-helixtrans-66.5-48.7178-172.5176.8-179.5-179.70112Q1702 A1703 M1704 M1708 K1709 A1710Q1702-K1706 PolarHBondContact O-N 3.28Å; Q1702-K1706 VanDerWaalsContact O-N 3.14Å; A1703-K1706 PolarHBondContact O-N 2.95Å; M1704-K1706 VanDerWaalsContact C-N 3.33Å; M1704-K1706 PolarHBondContact O-N 3.09Å; K1706-M1708 PolarHBondContact O-N 2.71Å; K1706-K1709 PolarHBondContact O-N 3.02Å; K1706-K1709 VanDerWaalsContact O-N 3.15Å; K1706-A1710 PolarHBondContact O-N 3.46Å
1707I88.6Confident86.7Confident9 Ų947.3 Ų47.35%0.04624%0.243CC..Hα-helixtrans-60-46.6179.1-68.8168.9000110.3V1563 D1566 I1567 A1703 M1704 K1709 A1710 N1711V1563-I1707 HydrophobicContact CG1-CG2 4.27Å; V1563-I1707 HydrophobicContact CG2-CG2 4.14Å; D1566-I1707 HydrophobicContact CB-CD1 3.74Å; D1566-I1707 HydrophobicContact CB-CG1 3.85Å; I1567-I1707 HydrophobicContact CG1-CD1 3.62Å; A1703-I1707 WeakPolarHBondContact O-CB 3.48Å; A1703-I1707 VanDerWaalsContact O-CG1 3.24Å; A1703-I1707 WeakPolarHBondContact O-CG1 3.41Å; A1703-I1707 PolarHBondContact O-N 3.2Å; M1704-I1707 HydrophobicContact SD-CD1 4.42Å; I1707-K1709 PolarHBondContact O-N 3.4Å; I1707-A1710 PolarHBondContact O-N 3.28Å; I1707-N1711 HydrophobicContact CG2-CB 4.09Å; I1707-N1711 WeakPolarHBondContact O-CB 3.38Å; I1707-N1711 PolarHBondContact O-N 3.13Å
1708M88.1Confident86.8Confident6 Ų646.7 Ų46.73%0.0324%0.24CC..Hα-helixtrans-60.9-31.3179-73.1-62.4-69.600112.4I1679 N1684 H1686 M1704 K1706 L1714 R1718I1679-M1708 HydrophobicContact CG2-CE 4.2Å; I1679-M1708 HydrophobicContact CG2-SD 3.94Å; N1684-M1708 HydrophobicContact CB-CE 4.06Å; N1684-M1708 VanDerWaalsContact O-CE 3.27Å; N1684-M1708 WeakPolarHBondContact O-CE 3.29Å; H1686-M1708 HydrophobicContact CB-CG 4.49Å; M1704-M1708 HydrophobicContact CE-CG 4.41Å; M1704-M1708 VanDerWaalsContact O-CB 3.27Å; M1704-M1708 WeakPolarHBondContact O-CB 3.45Å; M1704-M1708 WeakPolarHBondContact O-CG 3.05Å; M1704-M1708 PolarHBondContact O-N 3.46Å; K1706-M1708 PolarHBondContact O-N 2.71Å; M1708-L1714 HydrophobicContact CE-CD1 4.48Å; M1708-L1714 HydrophobicContact SD-CD1 3.7Å; M1708-R1718 PolarHBondContact O-NH1 2.99Å; M1708-R1718 PolarHBondContact O-NH2 2.91Å
1709K81.3Confident86.6Confident162 Ų16245 Ų4570%0.70423%0.227SC*.Hα-helixtrans-79.9-46.4177.1-170.2177.2178.4-177.90112.7V1705 K1706 I1707V1705-K1709 PolarHBondContact O-N 2.84Å; K1706-K1709 PolarHBondContact O-N 3.02Å; K1706-K1709 VanDerWaalsContact O-N 3.15Å; I1707-K1709 PolarHBondContact O-N 3.4Å
1710A77.2Confident86.6Confident70 Ų7045 Ų4558%0.57923%0.225SC*.Hα-helixtrans-104.8-10.1-16400000115.4K1706 I1707 P1712K1706-A1710 PolarHBondContact O-N 3.46Å; I1707-A1710 PolarHBondContact O-N 3.28Å; A1710-P1712 VanDerWaalsContact O-CD 3.26Å; A1710-P1712 WeakPolarHBondContact O-CD 3.48Å
1711N81.5Confident86.6Confident2 Ų244.8 Ų44.81%0.01122%0.224CC..  trans-62.2121.7-175-178.4-72.9000111.8S1562 D1566 I1707 A1713 L1714 Y1715S1562-N1711 PolarHBondContact OG-ND2 2.92Å; D1566-N1711 PolarHBondContact OD2-ND2 3.2Å; I1707-N1711 HydrophobicContact CG2-CB 4.09Å; I1707-N1711 WeakPolarHBondContact O-CB 3.38Å; I1707-N1711 PolarHBondContact O-N 3.13Å; N1711-A1713 VanDerWaalsContact C-N 3.34Å; N1711-A1713 PolarHBondContact O-N 2.78Å; N1711-A1713 WeakPolarHBondContact OD1-CA 3.01Å; N1711-A1713 WeakPolarHBondContact OD1-CB 3.46Å; N1711-A1713 PolarHBondContact OD1-N 3.28Å; N1711-L1714 HydrophobicContact CB-CB 4.18Å; N1711-L1714 HydrophobicContact CB-CD1 4.01Å; N1711-L1714 HydrophobicContact CB-CG 4.1Å; N1711-L1714 PolarHBondContact O-N 2.81Å; N1711-L1714 PolarHBondContact OD1-N 3.01Å; N1711-Y1715 PolarHBondContact O-N 2.99Å
1712P76.8Confident86.6Confident40 Ų4042.2 Ų42.226%0.2621%0.21SC..Hα-helixtrans-62.7-34.4-176.6-29.439.5000114.3A1710 Y1715 V1716 L1851A1710-P1712 VanDerWaalsContact O-CD 3.26Å; A1710-P1712 WeakPolarHBondContact O-CD 3.48Å; P1712-Y1715 WeakPolarHBondContact O-CB 3.39Å; P1712-Y1715 PolarHBondContact O-N 3.14Å; P1712-V1716 WeakPolarHBondContact O-CG2 3.48Å; P1712-V1716 PolarHBondContact O-N 3.23Å; P1712-L1851 HydrophobicContact CB-CD2 3.29Å
1713A84.2Confident86.3Confident0 Ų039.5 Ų39.50%020%0.196CC..Hα-helixtrans-70.2-37.4178.500000112I1559 N1711 V1716 L1717 L1851I1559-A1713 HydrophobicContact CB-CB 4.4Å; I1559-A1713 HydrophobicContact CG1-CB 3.8Å; N1711-A1713 VanDerWaalsContact C-N 3.34Å; N1711-A1713 PolarHBondContact O-N 2.78Å; N1711-A1713 WeakPolarHBondContact OD1-CA 3.01Å; N1711-A1713 WeakPolarHBondContact OD1-CB 3.46Å; N1711-A1713 PolarHBondContact OD1-N 3.28Å; A1713-V1716 PolarHBondContact O-N 3.31Å; A1713-L1717 PolarHBondContact O-N 3.47Å; A1713-L1717 VanDerWaalsContact O-N 3.12Å; A1713-L1851 HydrophobicContact CB-CD1 4.44Å; A1713-L1851 HydrophobicContact CB-CD2 4.47Å
1714L89Confident86.2Confident1 Ų140.7 Ų40.71%0.00521%0.205CC..Hα-helixtrans-67-37.3171.3-68.4-178.8000111.8I1559 L1681 M1708 N1711 L1717 R1718I1559-L1714 HydrophobicContact CG2-CD2 3.75Å; I1559-L1714 HydrophobicContact CG2-CG 4.47Å; L1681-L1714 HydrophobicContact CD2-CD2 3.75Å; M1708-L1714 HydrophobicContact CE-CD1 4.48Å; M1708-L1714 HydrophobicContact SD-CD1 3.7Å; N1711-L1714 HydrophobicContact CB-CB 4.18Å; N1711-L1714 HydrophobicContact CB-CD1 4.01Å; N1711-L1714 HydrophobicContact CB-CG 4.1Å; N1711-L1714 PolarHBondContact O-N 2.81Å; N1711-L1714 PolarHBondContact OD1-N 3.01Å; L1714-L1717 WeakPolarHBondContact O-CB 3.36Å; L1714-L1717 PolarHBondContact O-N 2.7Å; L1714-R1718 WeakPolarHBondContact O-CD 3.42Å; L1714-R1718 VanDerWaalsContact O-CG 3.29Å; L1714-R1718 WeakPolarHBondContact O-CG 3.43Å; L1714-R1718 PolarHBondContact O-N 3.09Å
1715Y83.4Confident86.1Confident87 Ų8740.6 Ų40.634%0.34121%0.205SC..Hα-helixtrans-59.7-49173.5-178.8-97.8000111.6N1711 P1712 L1717 R1718 E1719N1711-Y1715 PolarHBondContact O-N 2.99Å; P1712-Y1715 WeakPolarHBondContact O-CB 3.39Å; P1712-Y1715 PolarHBondContact O-N 3.14Å; Y1715-L1717 VanDerWaalsContact C-N 3.27Å; Y1715-L1717 PolarHBondContact O-N 3.35Å; Y1715-R1718 PolarHBondContact O-N 2.86Å; Y1715-R1718 VanDerWaalsContact O-N 3.13Å; Y1715-E1719 WeakPolarHBondContact O-CB 3.46Å; Y1715-E1719 PolarHBondContact O-N 2.91Å
1716V86Confident86Confident4 Ų437.4 Ų37.42%0.02418%0.184CC..Hα-helixtrans-58-39175.6171.50000111.8L1555 P1712 A1713 R1720 V1848L1555-V1716 HydrophobicContact CD1-CB 4.41Å; L1555-V1716 HydrophobicContact CD1-CG1 3.96Å; P1712-V1716 WeakPolarHBondContact O-CG2 3.48Å; P1712-V1716 PolarHBondContact O-N 3.23Å; A1713-V1716 PolarHBondContact O-N 3.31Å; V1716-R1720 HydrophobicContact CG1-CG 4.45Å; V1716-R1720 WeakPolarHBondContact O-CB 3.34Å; V1716-R1720 WeakPolarHBondContact O-CG 3.44Å; V1716-R1720 PolarHBondContact O-N 2.97Å; V1716-V1848 HydrophobicContact CG1-CG2 3.94Å; V1716-V1848 HydrophobicContact CG2-CG2 3.89Å
1717L90.4Very high85.9Confident0 Ų030.2 Ų30.20%015%0.153CC..Hα-helixtrans-60.7-52.5174.5172.463.8000111.4I1550 F1551 L1555 I1559 L1681 A1713 L1714 Y1715 E1719 R1720 I1721I1550-L1717 HydrophobicContact CG2-CD1 3.56Å; F1551-L1717 HydrophobicContact CE1-CD1 3.74Å; F1551-L1717 HydrophobicContact CE2-CD1 4.23Å; F1551-L1717 HydrophobicContact CZ-CD1 3.57Å; L1555-L1717 HydrophobicContact CD2-CB 4.17Å; L1555-L1717 HydrophobicContact CD2-CD1 4.11Å; I1559-L1717 HydrophobicContact CD1-CB 4.16Å; I1559-L1717 HydrophobicContact CD1-CD2 3.96Å; L1681-L1717 HydrophobicContact CB-CD2 3.9Å; L1681-L1717 HydrophobicContact CD1-CD2 4.34Å; L1681-L1717 HydrophobicContact CD2-CD2 4.02Å; L1681-L1717 HydrophobicContact CG-CD2 4.31Å; A1713-L1717 PolarHBondContact O-N 3.47Å; A1713-L1717 VanDerWaalsContact O-N 3.12Å; L1714-L1717 WeakPolarHBondContact O-CB 3.36Å; L1714-L1717 PolarHBondContact O-N 2.7Å; Y1715-L1717 VanDerWaalsContact C-N 3.27Å; Y1715-L1717 PolarHBondContact O-N 3.35Å; L1717-E1719 VanDerWaalsContact C-N 3.34Å; L1717-E1719 PolarHBondContact O-N 2.8Å; L1717-R1720 PolarHBondContact O-N 3.01Å; L1717-I1721 HydrophobicContact CD1-CD1 3.82Å; L1717-I1721 HydrophobicContact CD1-CG1 4.31Å; L1717-I1721 HydrophobicContact CG-CD1 3.88Å; L1717-I1721 WeakPolarHBondContact O-CG1 3.44Å; L1717-I1721 PolarHBondContact O-N 3.2Å
1718R91.2Very high85.5Confident5 Ų534.7 Ų34.72%0.01917%0.17CC..Hα-helixtrans-60.4-44.2-179.4-69.2160.1-177.61653.2111.2N1684 M1708 L1714 Y1715 I1721 R1722N1684-R1718 PolarHBondContact OD1-NE 3.42Å; N1684-R1718 VanDerWaalsContact OD1-NE 3.11Å; N1684-R1718 PolarHBondContact OD1-NH2 3.29Å; M1708-R1718 PolarHBondContact O-NH1 2.99Å; M1708-R1718 PolarHBondContact O-NH2 2.91Å; L1714-R1718 WeakPolarHBondContact O-CD 3.42Å; L1714-R1718 VanDerWaalsContact O-CG 3.29Å; L1714-R1718 WeakPolarHBondContact O-CG 3.43Å; L1714-R1718 PolarHBondContact O-N 3.09Å; Y1715-R1718 PolarHBondContact O-N 2.86Å; Y1715-R1718 VanDerWaalsContact O-N 3.13Å; R1718-I1721 WeakPolarHBondContact O-CB 3.45Å; R1718-I1721 PolarHBondContact O-N 2.93Å; R1718-R1722 VanDerWaalsContact O-CG 3.27Å; R1718-R1722 WeakPolarHBondContact O-CG 3.34Å; R1718-R1722 PolarHBondContact O-N 3.35Å
1719E84.4Confident85.1Confident34 Ų3436.8 Ų36.816%0.15919%0.185CC..Hα-helixtrans-65.5-41.7179.8-157.7-145.4-173.200111.8Y1715 L1717 I1721 R1722 K1723Y1715-E1719 WeakPolarHBondContact O-CB 3.46Å; Y1715-E1719 PolarHBondContact O-N 2.91Å; L1717-E1719 VanDerWaalsContact C-N 3.34Å; L1717-E1719 PolarHBondContact O-N 2.8Å; E1719-I1721 VanDerWaalsContact C-N 3.33Å; E1719-I1721 PolarHBondContact O-N 2.85Å; E1719-R1722 PolarHBondContact O-N 3.05Å; E1719-K1723 VanDerWaalsContact CD-CE 3.47Å; E1719-K1723 HydrophobicContact CG-CD 4.46Å; E1719-K1723 WeakPolarHBondContact O-CB 3.34Å; E1719-K1723 WeakPolarHBondContact O-CG 3.49Å; E1719-K1723 PolarHBondContact O-N 3.08Å; E1719-K1723 WeakPolarHBondContact OE1-CE 3.39Å; E1719-K1723 IonicContact OE1-NZ 2.88Å; E1719-K1723 PolarHBondContact OE1-NZ 2.78Å; E1719-K1723 IonicContact OE2-NZ 3.94Å; E1719-K1723 PolarHBondContact OE2-NZ 2.69Å
1720R90.3Very high84.5Confident25 Ų2533.4 Ų33.49%0.09418%0.182CC..Hα-helixtrans-63.9-38173.5-74.2177.4-172.2-170.77.7112.4I1550 R1552 V1716 L1717 A1724I1550-R1720 HydrophobicContact CG2-CB 4.43Å; I1550-R1720 WeakPolarHBondContact O-CD 3.42Å; I1550-R1720 PolarHBondContact O-NH1 3.38Å; R1552-R1720 VanDerWaalsContact CG-NH1 3.33Å; R1552-R1720 PolarHBondContact O-NH1 3.38Å; V1716-R1720 HydrophobicContact CG1-CG 4.45Å; V1716-R1720 WeakPolarHBondContact O-CB 3.34Å; V1716-R1720 WeakPolarHBondContact O-CG 3.44Å; V1716-R1720 PolarHBondContact O-N 2.97Å; L1717-R1720 PolarHBondContact O-N 3.01Å; R1720-A1724 WeakPolarHBondContact O-CB 3.41Å; R1720-A1724 PolarHBondContact O-N 3.08Å
1721I91.6Very high83.5Confident0 Ų036.1 Ų36.10%018%0.183CC..Hα-helixtrans-62-51.3173.2-74.9166.2000109.9L1463 T1467 I1550 W1642 L1717 R1718 E1719 K1723 A1724 L1725L1463-I1721 HydrophobicContact CD2-CB 4.28Å; L1463-I1721 HydrophobicContact CD2-CD1 3.98Å; L1463-I1721 HydrophobicContact CD2-CG1 4.1Å; L1463-I1721 HydrophobicContact CD2-CG2 3.21Å; T1467-I1721 HydrophobicContact CG2-CG2 3.68Å; I1550-I1721 HydrophobicContact CD1-CG1 4.14Å; I1550-I1721 HydrophobicContact CG2-CG1 4.15Å; W1642-I1721 HydrophobicContact CH2-CD1 4.28Å; L1717-I1721 HydrophobicContact CD1-CD1 3.82Å; L1717-I1721 HydrophobicContact CD1-CG1 4.31Å; L1717-I1721 HydrophobicContact CG-CD1 3.88Å; L1717-I1721 WeakPolarHBondContact O-CG1 3.44Å; L1717-I1721 PolarHBondContact O-N 3.2Å; R1718-I1721 WeakPolarHBondContact O-CB 3.45Å; R1718-I1721 PolarHBondContact O-N 2.93Å; E1719-I1721 VanDerWaalsContact C-N 3.33Å; E1719-I1721 PolarHBondContact O-N 2.85Å; I1721-K1723 PolarHBondContact O-N 3.36Å; I1721-A1724 PolarHBondContact O-N 2.62Å; I1721-A1724 VanDerWaalsContact O-N 3.17Å; I1721-L1725 HydrophobicContact CG2-CD1 3.7Å; I1721-L1725 HydrophobicContact CG2-CG 4.39Å; I1721-L1725 WeakPolarHBondContact O-CB 3.47Å; I1721-L1725 WeakPolarHBondContact O-CG 3.28Å; I1721-L1725 PolarHBondContact O-N 3.22Å
1722R89.5Confident82.2Confident51 Ų5141.8 Ų41.819%0.19222%0.22CC..Hα-helixtrans-57.4-49.3177.8-68.8169.2-169.4177.4-1.5111.6T1467 Y1468 F1469 R1718 E1719 A1724 L1725 Q1726 L1727T1467-R1722 HydrophobicContact CG2-CG 3.9Å; T1467-R1722 VanDerWaalsContact O-CZ 3.25Å; T1467-R1722 PolarHBondContact O-NE 3.27Å; T1467-R1722 PolarHBondContact O-NH2 3.15Å; Y1468-R1722 PolarHBondContact O-NH2 2.72Å; Y1468-R1722 VanDerWaalsContact O-NH2 3.09Å; F1469-R1722 HydrophobicContact CE2-CG 4.09Å; F1469-R1722 HydrophobicContact CZ-CG 3.86Å; R1718-R1722 VanDerWaalsContact O-CG 3.27Å; R1718-R1722 WeakPolarHBondContact O-CG 3.34Å; R1718-R1722 PolarHBondContact O-N 3.35Å; E1719-R1722 PolarHBondContact O-N 3.05Å; R1722-A1724 VanDerWaalsContact C-N 3.33Å; R1722-A1724 PolarHBondContact O-N 3.05Å; R1722-L1725 CarbonylContact O-C 3.6Å; R1722-L1725 PolarHBondContact O-N 3.33Å; R1722-Q1726 WeakPolarHBondContact O-CA 3.3Å; R1722-Q1726 PolarHBondContact O-N 3.28Å; R1722-L1727 PolarHBondContact O-N 3.14Å
1723K84.1Confident81.2Confident79 Ų7946.2 Ų46.234%0.34325%0.246SC..Hα-helixtrans-59.6-39175.5-75.5173.6175.71630112.4E1719 I1721 D1844E1719-K1723 VanDerWaalsContact CD-CE 3.47Å; E1719-K1723 HydrophobicContact CG-CD 4.46Å; E1719-K1723 WeakPolarHBondContact O-CB 3.34Å; E1719-K1723 WeakPolarHBondContact O-CG 3.49Å; E1719-K1723 PolarHBondContact O-N 3.08Å; E1719-K1723 WeakPolarHBondContact OE1-CE 3.39Å; E1719-K1723 IonicContact OE1-NZ 2.88Å; E1719-K1723 PolarHBondContact OE1-NZ 2.78Å; E1719-K1723 IonicContact OE2-NZ 3.94Å; E1719-K1723 PolarHBondContact OE2-NZ 2.69Å; I1721-K1723 PolarHBondContact O-N 3.36Å; K1723-D1844 IonicContact NZ-OD1 2.81Å; K1723-D1844 PolarHBondContact NZ-OD1 3.22Å; K1723-D1844 IonicContact NZ-OD2 2.8Å; K1723-D1844 PolarHBondContact NZ-OD2 3.03Å
1724A86.5Confident80.1Confident36 Ų3651.2 Ų51.230%0.29827%0.27SS..Hα-helixtrans-75-32.2178.600000113.2L1510 I1550 R1720 I1721 R1722L1510-A1724 HydrophobicContact CD2-CB 3.57Å; I1550-A1724 HydrophobicContact CG1-CB 4.43Å; R1720-A1724 WeakPolarHBondContact O-CB 3.41Å; R1720-A1724 PolarHBondContact O-N 3.08Å; I1721-A1724 PolarHBondContact O-N 2.62Å; I1721-A1724 VanDerWaalsContact O-N 3.17Å; R1722-A1724 VanDerWaalsContact C-N 3.33Å; R1722-A1724 PolarHBondContact O-N 3.05Å
1725L88.9Confident79.1Confident0 Ų055.6 Ų55.60%030%0.298CS..Hα-helixtrans-81.2-19.1173.7-70.7174.5000112.9L1463 T1467 W1477 R1507 L1510 W1511 I1721 R1722 L1727L1463-L1725 HydrophobicContact CB-CD1 4.5Å; L1463-L1725 HydrophobicContact CD2-CD1 4.22Å; T1467-L1725 HydrophobicContact CG2-CD1 3.62Å; W1477-L1725 WeakPolarHBondContact CZ3-O 3.39Å; R1507-L1725 WeakPolarHBondContact CD-O 3.17Å; R1507-L1725 WeakPolarHBondContact CG-O 3.49Å; L1510-L1725 HydrophobicContact CB-CD2 4.13Å; L1510-L1725 HydrophobicContact CD2-CD2 3.9Å; L1510-L1725 HydrophobicContact CD2-CG 4.09Å; L1510-L1725 HydrophobicContact CG-CD2 3.87Å; L1510-L1725 HydrophobicContact CG-CG 4.46Å; W1511-L1725 HydrophobicContact CB-CD2 3.91Å; W1511-L1725 HydrophobicContact CE3-CD1 3.85Å; W1511-L1725 HydrophobicContact CE3-CD2 3.98Å; W1511-L1725 HydrophobicContact CZ3-CD1 4.1Å; I1721-L1725 HydrophobicContact CG2-CD1 3.7Å; I1721-L1725 HydrophobicContact CG2-CG 4.39Å; I1721-L1725 WeakPolarHBondContact O-CB 3.47Å; I1721-L1725 WeakPolarHBondContact O-CG 3.28Å; I1721-L1725 PolarHBondContact O-N 3.22Å; R1722-L1725 CarbonylContact O-C 3.6Å; R1722-L1725 PolarHBondContact O-N 3.33Å; L1725-L1727 VanDerWaalsContact C-N 3.32Å; L1725-L1727 HydrophobicContact CB-CB 4.48Å; L1725-L1727 HydrophobicContact CB-CD1 4.08Å; L1725-L1727 HydrophobicContact CB-CG 4.19Å; L1725-L1727 HydrophobicContact CD1-CD1 4.17Å
1726Q86.1Confident78.8Confident21 Ų2155.7 Ų55.710%0.09830%0.299CS..THydrogen-bonded Turntrans56.747-174.5-58.4171.3-31.500111.7E1478 R1722E1478-Q1726 HydrophobicContact CB-CB 3.99Å; E1478-Q1726 PolarHBondContact N-O 3.24Å; E1478-Q1726 VanDerWaalsContact N-O 3.15Å; R1722-Q1726 WeakPolarHBondContact O-CA 3.3Å; R1722-Q1726 PolarHBondContact O-N 3.28Å
1727L84.8Confident78.5Confident2 Ų255.8 Ų55.81%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-110.5131.9175.1-77.7172.3000109.3T1467 F1469 W1477 W1511 R1722 L1725T1467-L1727 HydrophobicContact CG2-CD1 4.46Å; F1469-L1727 HydrophobicContact CE2-CB 4.05Å; W1477-L1727 HydrophobicContact CD2-CD2 3.55Å; W1477-L1727 HydrophobicContact CD2-CG 4.34Å; W1477-L1727 HydrophobicContact CE3-CD2 3.7Å; W1477-L1727 HydrophobicContact CE3-CG 3.98Å; W1477-L1727 HydrophobicContact CG-CD2 4.04Å; W1477-L1727 HydrophobicContact CH2-CD1 3.88Å; W1477-L1727 HydrophobicContact CH2-CD2 4.08Å; W1477-L1727 HydrophobicContact CH2-CG 4.06Å; W1477-L1727 HydrophobicContact CZ2-CD1 4.22Å; W1477-L1727 HydrophobicContact CZ2-CD2 3.94Å; W1477-L1727 HydrophobicContact CZ2-CG 4.39Å; W1477-L1727 HydrophobicContact CZ3-CD1 4.13Å; W1477-L1727 HydrophobicContact CZ3-CD2 3.97Å; W1477-L1727 HydrophobicContact CZ3-CG 3.84Å; W1511-L1727 HydrophobicContact CE3-CD1 4.2Å; W1511-L1727 HydrophobicContact CH2-CD1 4.11Å; W1511-L1727 HydrophobicContact CZ3-CD1 3.62Å; R1722-L1727 PolarHBondContact O-N 3.14Å; L1725-L1727 VanDerWaalsContact C-N 3.32Å; L1725-L1727 HydrophobicContact CB-CB 4.48Å; L1725-L1727 HydrophobicContact CB-CD1 4.08Å; L1725-L1727 HydrophobicContact CB-CG 4.19Å; L1725-L1727 HydrophobicContact CD1-CD1 4.17Å
1728Y81.3Confident78Confident103 Ų10356.7 Ų56.740%0.40431%0.305SS..EExtended strand (participates in β ladder)trans-128.5152.9179.5-63.7-81000109.8F1476 E1478F1476-Y1728 HydrophobicContact CE2-CD2 4.48Å; F1476-Y1728 PolarHBondContact N-O 3.12Å; E1478-Y1728 HydrophobicContact CB-CE2 4.33Å
1729S77.7Confident77.1Confident50 Ų5057.6 Ų57.635%0.3531%0.312SS..  trans-107.8151.8171.1540000109.7E1731S1729-E1731 VanDerWaalsContact C-N 3.32Å
1730S68.7Low76.6Confident91 Ų9163.3 Ų63.364%0.63634%0.339SS*.SBendtrans-77-14.3173.9450000114
1731E56.8Low76.1Confident127 Ų12763.2 Ų63.259%0.59334%0.34SS*.  trans-89.8124.8-175.1-64.5172.6-178.100112.5S1729S1729-E1731 VanDerWaalsContact C-N 3.32Å
1732P53.9Low75.5Confident121 Ų12163.7 Ų63.779%0.78634%0.342SS*.  trans-83138.6174.131.6-31.5000112.1
1733T56.3Low75Confident133 Ų13367 Ų6782%0.81636%0.363SS*.  trans-101.5-18.3-175.854.50000115.4
1734E61.4Low74.8Confident105 Ų10567.2 Ų67.249%0.49137%0.366SS..SBendtrans-156.3137.2176.6-160.8176.5178.300112.3V1857E1734-V1857 VanDerWaalsContact OE1-CG1 3.28Å; E1734-V1857 WeakPolarHBondContact OE1-CG1 3.4Å
1735P67.9Low74.7Confident93 Ų9365.6 Ų65.660%0.60435%0.352SS*.  trans-81.1143-177.130.4-34000114.2
1736Y78Confident74.5Confident90 Ų9067.5 Ų67.535%0.35336%0.361SS..  trans-79.3166174.5-71.6-10.2000113.1S1738 N1741 G1860Y1736-S1738 PolarHBondContact O-N 3.48Å; Y1736-N1741 PolarHBondContact O-ND2 3.32Å; Y1736-G1860 WeakPolarHBondContact CB-O 3.46Å
1737L79.6Confident74.2Confident5 Ų568.5 Ų68.53%0.02637%0.37CS..BIsolated β-bridgetrans-68.5111.7170.4-177.377.5000109.8N1741 L1745 F1753 I1836 G1860 E1862 L1863L1737-N1741 WeakPolarHBondContact CA-OD1 3.31Å; L1737-L1745 HydrophobicContact CD1-CD1 4.29Å; L1737-L1745 HydrophobicContact CD1-CD2 3.97Å; L1737-L1745 HydrophobicContact CD1-CG 4.08Å; L1737-L1745 HydrophobicContact CD2-CD1 4.27Å; L1737-L1745 HydrophobicContact CD2-CD2 4.24Å; L1737-F1753 HydrophobicContact CD2-CE1 3.85Å; L1737-F1753 HydrophobicContact CD2-CZ 3.8Å; L1737-I1836 HydrophobicContact CB-CG2 4.35Å; L1737-I1836 HydrophobicContact CD1-CD1 4.33Å; L1737-I1836 HydrophobicContact CD2-CD1 4.11Å; L1737-I1836 HydrophobicContact CD2-CG2 4.07Å; L1737-G1860 PolarHBondContact N-O 3.42Å; L1737-E1862 WeakPolarHBondContact O-CB 3.03Å; L1737-E1862 PolarHBondContact O-N 3.1Å; L1737-L1863 HydrophobicContact CD2-CD1 4.41Å; L1737-L1863 HydrophobicContact CG-CD1 4.4Å
1738S78.9Confident74Confident20 Ų2076 Ų7614%0.1441%0.41CS..  trans-120.5-178179.3750000110.4Y1736 Q1740 N1741 Y1742Y1736-S1738 PolarHBondContact O-N 3.48Å; S1738-Q1740 PolarHBondContact O-N 3.25Å; S1738-Q1740 PolarHBondContact OG-N 3.14Å; S1738-N1741 PolarHBondContact N-OD1 2.97Å; S1738-N1741 PolarHBondContact O-OD1 2.88Å; S1738-N1741 VanDerWaalsContact O-OD1 3.13Å; S1738-N1741 PolarHBondContact OG-OD1 3.12Å; S1738-Y1742 PolarHBondContact O-N 2.96Å
1739S71.9Confident74.1Confident24 Ų2475 Ų7517%0.16841%0.409CS..SBendtrans-66.1-15.8174.987.90000113.3
1740Q73.6Confident74.5Confident153 Ų15373.9 Ų73.972%0.71540%0.399SS*.SBendtrans-87.2-39.4-173.8-65.8-179.3-900112.7S1738S1738-Q1740 PolarHBondContact O-N 3.25Å; S1738-Q1740 PolarHBondContact OG-N 3.14Å
1741N79.6Confident75.6Confident23 Ų2369.6 Ų69.612%0.12337%0.369CS..SBendtrans-99.411.717961.63.2000113.1Y1736 L1737 S1738 N1743 E1744Y1736-N1741 PolarHBondContact O-ND2 3.32Å; L1737-N1741 WeakPolarHBondContact CA-OD1 3.31Å; S1738-N1741 PolarHBondContact N-OD1 2.97Å; S1738-N1741 PolarHBondContact O-OD1 2.88Å; S1738-N1741 VanDerWaalsContact O-OD1 3.13Å; S1738-N1741 PolarHBondContact OG-OD1 3.12Å; N1741-N1743 PolarHBondContact O-N 3.35Å; N1741-N1743 VanDerWaalsContact O-N 3.11Å; N1741-E1744 HydrophobicContact CB-CG 4.4Å; N1741-E1744 WeakPolarHBondContact O-CB 3.3Å; N1741-E1744 WeakPolarHBondContact O-CG 3.3Å; N1741-E1744 PolarHBondContact O-N 3.07Å
1742Y80.3Confident77.4Confident11 Ų1163.7 Ų63.74%0.04334%0.341CS..G310 helixtrans-54.5-29.3177.3-177.7-97.2000113.7S1738 E1744 L1745 F1746 L1863 Y1904 F1907 L1986S1738-Y1742 PolarHBondContact O-N 2.96Å; Y1742-E1744 PolarHBondContact O-N 3.23Å; Y1742-L1745 HydrophobicContact CD2-CD1 3.75Å; Y1742-L1745 HydrophobicContact CE2-CD1 3.82Å; Y1742-L1745 HydrophobicContact CG-CD1 4.37Å; Y1742-L1745 WeakPolarHBondContact O-CB 3.49Å; Y1742-L1745 VanDerWaalsContact O-CG 3.31Å; Y1742-L1745 WeakPolarHBondContact O-CG 3.34Å; Y1742-L1745 PolarHBondContact O-N 3.17Å; Y1742-F1746 HydrophobicContact CD1-CE2 4.24Å; Y1742-F1746 AromaticContact CE1-CE2 3.82Å; Y1742-F1746 HydrophobicContact CE1-CE2 3.82Å; Y1742-F1746 HydrophobicContact CE1-CZ 4.31Å; Y1742-L1863 HydrophobicContact CD2-CD1 3.87Å; Y1742-L1863 HydrophobicContact CE2-CD1 4.44Å; Y1742-Y1904 HydrophobicContact CD1-CE2 4.19Å; Y1742-Y1904 HydrophobicContact CE1-CD2 4.41Å; Y1742-Y1904 AromaticContact CE1-CE2 3.74Å; Y1742-Y1904 HydrophobicContact CE1-CE2 3.74Å; Y1742-F1907 HydrophobicContact CE2-CD1 4.47Å; Y1742-F1907 AromaticContact CE2-CE1 3.88Å; Y1742-F1907 HydrophobicContact CE2-CE1 3.88Å; Y1742-F1907 AromaticContact CZ-CD1 3.96Å; Y1742-F1907 AromaticContact CZ-CE1 3.83Å; Y1742-F1907 WeakPolarHBondContact OH-CD1 3.04Å; Y1742-F1907 WeakPolarHBondContact OH-CE1 3.31Å; Y1742-L1986 HydrophobicContact CE2-CD2 3.82Å
1743N77.9Confident79.3Confident119 Ų11958 Ų5864%0.63630%0.304SS*.G310 helixtrans-66.9-21.4178.4-67.8-14.4000113.4N1741 L1745 F1746N1741-N1743 PolarHBondContact O-N 3.35Å; N1741-N1743 VanDerWaalsContact O-N 3.11Å; N1743-L1745 PolarHBondContact O-N 3.13Å; N1743-F1746 PolarHBondContact O-N 3.09Å
1744E80.6Confident81Confident84 Ų8451.7 Ų51.739%0.39327%0.265SS..G310 helixtrans-63.2-24177.9-66.6-178.1-175.900112.6N1741 Y1742 F1746 S1747 I1751 K1859N1741-E1744 HydrophobicContact CB-CG 4.4Å; N1741-E1744 WeakPolarHBondContact O-CB 3.3Å; N1741-E1744 WeakPolarHBondContact O-CG 3.3Å; N1741-E1744 PolarHBondContact O-N 3.07Å; Y1742-E1744 PolarHBondContact O-N 3.23Å; E1744-F1746 PolarHBondContact O-N 3.41Å; E1744-F1746 VanDerWaalsContact O-N 3.16Å; E1744-S1747 PolarHBondContact O-N 2.85Å; E1744-S1747 PolarHBondContact O-OG 3.25Å; E1744-S1747 VanDerWaalsContact O-OG 3.07Å; E1744-I1751 VanDerWaalsContact O-CD1 3.26Å; E1744-I1751 WeakPolarHBondContact O-CD1 3.36Å; E1744-K1859 IonicContact OE2-NZ 3.18Å; E1744-K1859 PolarHBondContact OE2-NZ 3Å
1745L84.8Confident82.5Confident3 Ų347 Ų472%0.01624%0.244CC..G310 helixtrans-61.3-22.5-178.5-64.2178.4000113.9L1737 Y1742 N1743 I1751 F1753 P1786 I1836 F1907L1737-L1745 HydrophobicContact CD1-CD1 4.29Å; L1737-L1745 HydrophobicContact CD1-CD2 3.97Å; L1737-L1745 HydrophobicContact CD1-CG 4.08Å; L1737-L1745 HydrophobicContact CD2-CD1 4.27Å; L1737-L1745 HydrophobicContact CD2-CD2 4.24Å; Y1742-L1745 HydrophobicContact CD2-CD1 3.75Å; Y1742-L1745 HydrophobicContact CE2-CD1 3.82Å; Y1742-L1745 HydrophobicContact CG-CD1 4.37Å; Y1742-L1745 WeakPolarHBondContact O-CB 3.49Å; Y1742-L1745 VanDerWaalsContact O-CG 3.31Å; Y1742-L1745 WeakPolarHBondContact O-CG 3.34Å; Y1742-L1745 PolarHBondContact O-N 3.17Å; N1743-L1745 PolarHBondContact O-N 3.13Å; L1745-I1751 HydrophobicContact CD2-CG2 4.15Å; L1745-F1753 HydrophobicContact CD1-CE2 4.23Å; L1745-F1753 HydrophobicContact CD1-CZ 3.97Å; L1745-F1753 HydrophobicContact CD2-CE2 4.04Å; L1745-F1753 HydrophobicContact CD2-CZ 3.83Å; L1745-P1786 HydrophobicContact CB-CG 4.49Å; L1745-I1836 HydrophobicContact CD2-CD1 3.29Å; L1745-F1907 HydrophobicContact CD1-CE1 4.44Å
1746F84.6Confident83.6Confident39 Ų3943.1 Ų43.117%0.17122%0.218CC..G310 helixtrans-110.917.4-172.2-52.1-76.2000113.2Y1742 N1743 E1744 Y1904 F1907Y1742-F1746 HydrophobicContact CD1-CE2 4.24Å; Y1742-F1746 AromaticContact CE1-CE2 3.82Å; Y1742-F1746 HydrophobicContact CE1-CE2 3.82Å; Y1742-F1746 HydrophobicContact CE1-CZ 4.31Å; N1743-F1746 PolarHBondContact O-N 3.09Å; E1744-F1746 PolarHBondContact O-N 3.41Å; E1744-F1746 VanDerWaalsContact O-N 3.16Å; F1746-Y1904 AromaticContact CD2-CD2 3.68Å; F1746-Y1904 HydrophobicContact CD2-CD2 3.68Å; F1746-Y1904 AromaticContact CE2-CD2 3.42Å; F1746-Y1904 HydrophobicContact CE2-CD2 3.42Å; F1746-Y1904 VanDerWaalsContact CE2-CD2 3.42Å; F1746-Y1904 HydrophobicContact CE2-CE2 4.06Å; F1746-Y1904 HydrophobicContact CE2-CG 4.38Å; F1746-Y1904 HydrophobicContact CG-CD2 4.4Å; F1746-Y1904 AromaticContact CZ-CD2 3.95Å; F1746-Y1904 HydrophobicContact CZ-CD2 3.95Å; F1746-F1907 HydrophobicContact CE1-CB 3.85Å; F1746-F1907 HydrophobicContact CE1-CD1 4.31Å; F1746-F1907 HydrophobicContact CE1-CG 4.24Å; F1746-F1907 HydrophobicContact CZ-CB 3.97Å; F1746-F1907 AromaticContact CZ-CD1 3.71Å; F1746-F1907 HydrophobicContact CZ-CD1 3.71Å; F1746-F1907 HydrophobicContact CZ-CG 4.09Å
1747S80.6Confident84.1Confident42 Ų4241.1 Ų41.129%0.29422%0.215SC..SBendtrans-72.5174.6174.165.90000112.5E1744 Q1749 R1787E1744-S1747 PolarHBondContact O-N 2.85Å; E1744-S1747 PolarHBondContact O-OG 3.25Å; E1744-S1747 VanDerWaalsContact O-OG 3.07Å; S1747-Q1749 PolarHBondContact O-N 2.78Å; S1747-Q1749 VanDerWaalsContact O-N 3.1Å; S1747-Q1749 WeakPolarHBondContact OG-CB 3.44Å; S1747-Q1749 PolarHBondContact OG-N 3.25Å; S1747-R1787 PolarHBondContact O-NH1 3.34Å
1748N79.7Confident84.5Confident160 Ų16042.3 Ų42.386%0.85622%0.222SC*.SBendtrans-65.6-7.8173.5-75.6-13.5000113.3R1787N1748-R1787 PolarHBondContact O-NH1 3.35Å
1749Q82.7Confident85Confident82 Ų8241.4 Ų41.438%0.38322%0.215SC..SBendtrans-72.1145176-59.2-176.32.600111.6S1747 I1751 R1787 K1833S1747-Q1749 PolarHBondContact O-N 2.78Å; S1747-Q1749 VanDerWaalsContact O-N 3.1Å; S1747-Q1749 WeakPolarHBondContact OG-CB 3.44Å; S1747-Q1749 PolarHBondContact OG-N 3.25Å; Q1749-I1751 HydrophobicContact CB-CG1 4.28Å; Q1749-I1751 PolarHBondContact O-N 2.85Å; Q1749-R1787 PolarHBondContact O-NH1 3.42Å; Q1749-K1833 HydrophobicContact CB-CB 4.27Å
1750I87.7Confident85.8Confident26 Ų2643.6 Ų43.613%0.13322%0.22CC..  trans-81.3118.1170.7-60178.1000107.9E1829 E1830 P1832 K1833 Q1834I1750-E1829 WeakPolarHBondContact CD1-O 3.47Å; I1750-E1830 VanDerWaalsContact CD1-C 3.49Å; I1750-E1830 VanDerWaalsContact CD1-CA 3.46Å; I1750-E1830 WeakPolarHBondContact CD1-O 3.27Å; I1750-P1832 HydrophobicContact CG2-CB 4.3Å; I1750-P1832 CarbonylContact O-C 3.59Å; I1750-P1832 VanDerWaalsContact O-CA 3.31Å; I1750-P1832 WeakPolarHBondContact O-CA 3.49Å; I1750-K1833 PolarHBondContact O-N 3.44Å; I1750-Q1834 PolarHBondContact O-N 3.42Å
1751I91.3Very high86.5Confident1 Ų138.9 Ų38.91%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-122.5133.8-176.2-59.2176.4000108.7E1744 L1745 Q1749 P1786 Q1834 I1836E1744-I1751 VanDerWaalsContact O-CD1 3.26Å; E1744-I1751 WeakPolarHBondContact O-CD1 3.36Å; L1745-I1751 HydrophobicContact CD2-CG2 4.15Å; Q1749-I1751 HydrophobicContact CB-CG1 4.28Å; Q1749-I1751 PolarHBondContact O-N 2.85Å; I1751-P1786 VanDerWaalsContact O-CD 3.22Å; I1751-P1786 WeakPolarHBondContact O-CD 3.45Å; I1751-Q1834 WeakPolarHBondContact CA-O 3.08Å; I1751-Q1834 HydrophobicContact CG1-CB 4.18Å; I1751-Q1834 HydrophobicContact CG2-CB 4.44Å; I1751-I1836 HydrophobicContact CG2-CD1 3.77Å; I1751-I1836 HydrophobicContact CG2-CG1 4.12Å
1752W94.2Very high86.8Confident4 Ų440.2 Ų40.22%0.01521%0.205CC..EExtended strand (participates in β ladder)trans-118.9138.7176.5-69.3-7.4000112I1783 F1784 F1792 L1822 I1823 L1826 P1832 Q1834 I1836W1752-I1783 HydrophobicContact CB-CG2 4.03Å; W1752-I1783 HydrophobicContact CD2-CG2 3.76Å; W1752-I1783 HydrophobicContact CE3-CG2 3.66Å; W1752-I1783 HydrophobicContact CG-CG2 3.95Å; W1752-I1783 HydrophobicContact CZ3-CG2 4.34Å; W1752-F1784 WeakPolarHBondContact CA-O 3.48Å; W1752-F1792 HydrophobicContact CZ2-CE2 4.14Å; W1752-L1822 HydrophobicContact CH2-CD2 3.98Å; W1752-L1822 HydrophobicContact CH2-CG 4.01Å; W1752-L1822 HydrophobicContact CZ3-CD2 4.06Å; W1752-L1822 HydrophobicContact CZ3-CG 4.35Å; W1752-I1823 HydrophobicContact CH2-CG1 3.87Å; W1752-I1823 HydrophobicContact CZ3-CD1 4.21Å; W1752-I1823 HydrophobicContact CZ3-CG1 3.53Å; W1752-L1826 HydrophobicContact CH2-CD1 3.26Å; W1752-L1826 HydrophobicContact CZ2-CD1 3.45Å; W1752-L1826 VanDerWaalsContact CZ2-CD1 3.45Å; W1752-P1832 HydrophobicContact CD2-CB 3.91Å; W1752-P1832 HydrophobicContact CD2-CG 3.86Å; W1752-P1832 HydrophobicContact CE3-CB 4.27Å; W1752-P1832 HydrophobicContact CE3-CG 3.75Å; W1752-P1832 HydrophobicContact CG-CB 4.07Å; W1752-P1832 HydrophobicContact CH2-CG 4.12Å; W1752-P1832 HydrophobicContact CZ2-CG 4.23Å; W1752-P1832 HydrophobicContact CZ3-CG 3.9Å; W1752-Q1834 PolarHBondContact N-O 2.97Å; W1752-Q1834 VanDerWaalsContact N-O 3.1Å; W1752-I1836 PolarHBondContact O-N 3.2Å
1753F93.4Very high87.1Confident0 Ų043 Ų430%022%0.223CC..EExtended strand (participates in β ladder)trans-90.3133.1161.1-78.5-77.9000110.3L1737 L1745 I1783 F1784 P1786 I1836 L1865 F1867 F1907L1737-F1753 HydrophobicContact CD2-CE1 3.85Å; L1737-F1753 HydrophobicContact CD2-CZ 3.8Å; L1745-F1753 HydrophobicContact CD1-CE2 4.23Å; L1745-F1753 HydrophobicContact CD1-CZ 3.97Å; L1745-F1753 HydrophobicContact CD2-CE2 4.04Å; L1745-F1753 HydrophobicContact CD2-CZ 3.83Å; F1753-I1783 CarbonylContact O-C 3.5Å; F1753-I1783 WeakPolarHBondContact O-CA 3.33Å; F1753-F1784 HydrophobicContact CB-CB 4.46Å; F1753-F1784 HydrophobicContact CD2-CD1 4.27Å; F1753-F1784 PolarHBondContact N-O 2.87Å; F1753-F1784 PolarHBondContact O-N 2.7Å; F1753-P1786 HydrophobicContact CD2-CB 4.45Å; F1753-P1786 HydrophobicContact CD2-CG 4.21Å; F1753-P1786 HydrophobicContact CE2-CB 4.16Å; F1753-P1786 HydrophobicContact CE2-CG 3.98Å; F1753-I1836 CarbonylContact C-O 3.56Å; F1753-I1836 WeakPolarHBondContact CA-O 3.15Å; F1753-I1836 HydrophobicContact CD1-CB 3.91Å; F1753-I1836 HydrophobicContact CD1-CG2 3.85Å; F1753-I1836 HydrophobicContact CE1-CB 3.89Å; F1753-I1836 HydrophobicContact CE1-CD1 4.33Å; F1753-I1836 HydrophobicContact CE1-CG2 3.52Å; F1753-I1836 HydrophobicContact CZ-CD1 4.27Å; F1753-I1836 HydrophobicContact CZ-CG2 4.42Å; F1753-L1865 HydrophobicContact CD1-CD1 4.09Å; F1753-L1865 HydrophobicContact CE1-CD1 3.5Å; F1753-L1865 VanDerWaalsContact CE1-CD1 3.5Å; F1753-L1865 HydrophobicContact CE2-CD1 4.35Å; F1753-L1865 HydrophobicContact CZ-CD1 3.65Å; F1753-F1867 HydrophobicContact CB-CE2 3.71Å; F1753-F1867 HydrophobicContact CB-CZ 4.08Å; F1753-F1867 AromaticContact CD1-CE2 3.78Å; F1753-F1867 HydrophobicContact CD1-CE2 3.78Å; F1753-F1867 HydrophobicContact CD1-CZ 4.26Å; F1753-F1867 HydrophobicContact CD2-CE2 4.31Å; F1753-F1867 HydrophobicContact CD2-CZ 4.02Å; F1753-F1867 HydrophobicContact CE1-CE2 4.48Å; F1753-F1867 AromaticContact CG-CE2 3.67Å; F1753-F1867 HydrophobicContact CG-CE2 3.67Å; F1753-F1867 AromaticContact CG-CZ 3.85Å; F1753-F1867 HydrophobicContact CG-CZ 3.85Å; F1753-F1907 HydrophobicContact CE2-CZ 4.17Å
1754V93.2Very high87.6Confident1 Ų143 Ų431%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-117.5120.7174.2179.50000109.8I1783 T1815 V1819 I1835 I1836 T1838V1754-I1783 HydrophobicContact CG2-CG1 4.44Å; V1754-T1815 HydrophobicContact CG1-CG2 4.36Å; V1754-V1819 HydrophobicContact CG1-CG2 4.11Å; V1754-V1819 HydrophobicContact CG2-CG2 4.39Å; V1754-I1835 HydrophobicContact CG2-CG2 3.72Å; V1754-I1836 PolarHBondContact N-O 2.8Å; V1754-T1838 PolarHBondContact O-N 3.46Å; V1754-T1838 PolarHBondContact O-OG1 2.93Å
1755D91.7Very high87.8Confident7 Ų742.2 Ų42.24%0.03722%0.218CC..EExtended strand (participates in β ladder)trans-116.4120.3173.9-175.430000111.6T1757 F1782 T1838 F1867D1755-T1757 WeakPolarHBondContact OD1-CB 3.38Å; D1755-T1757 PolarHBondContact OD1-N 2.98Å; D1755-T1757 PolarHBondContact OD1-OG1 2.82Å; D1755-F1782 HydrophobicContact CB-CB 4.26Å; D1755-F1782 HydrophobicContact CB-CD1 4.46Å; D1755-F1782 PolarHBondContact N-O 3.18Å; D1755-F1782 PolarHBondContact O-N 3.05Å; D1755-T1838 HydrophobicContact CB-CG2 4.02Å; D1755-T1838 PolarHBondContact OD1-OG1 2.9Å; D1755-F1867 HydrophobicContact CB-CB 4.33Å
1756D91.2Very high87.9Confident11 Ų1150.2 Ų50.26%0.05925%0.252CS..  trans-100.74.1-179.977.9-37.4000113.2N1758 V1759 T1815 R1839 M1842D1756-N1758 PolarHBondContact O-N 3.27Å; D1756-V1759 HydrophobicContact CB-CG2 4.14Å; D1756-V1759 WeakPolarHBondContact O-CG2 3.28Å; D1756-V1759 PolarHBondContact O-N 2.73Å; D1756-T1815 HydrophobicContact CB-CG2 4.12Å; D1756-R1839 WeakPolarHBondContact OD1-CD 3.34Å; D1756-M1842 HydrophobicContact CB-CG 3.86Å; D1756-M1842 HydrophobicContact CB-SD 4.19Å; D1756-M1842 VanDerWaalsContact CG-CG 3.46Å; D1756-M1842 WeakPolarHBondContact OD2-CG 3.29Å
1757T87.9Confident87.9Confident48 Ų4850.8 Ų50.829%0.29426%0.259SS..THydrogen-bonded Turntrans-56.6-36.9-172.5-61.30000113D1755 Q1868D1755-T1757 WeakPolarHBondContact OD1-CB 3.38Å; D1755-T1757 PolarHBondContact OD1-N 2.98Å; D1755-T1757 PolarHBondContact OD1-OG1 2.82Å; T1757-Q1868 HydrophobicContact CG2-CB 4.3Å
1758N89Confident88Confident31 Ų3159.2 Ų59.217%0.16629%0.291CS..THydrogen-bonded Turntrans-10517.5-175.3-71.1-59.3000114.5D1756 G1779 A1780 L1871D1756-N1758 PolarHBondContact O-N 3.27Å; N1758-G1779 CarbonylContact O-C 3.49Å; N1758-G1779 WeakPolarHBondContact O-CA 3.32Å; N1758-A1780 CarbonylContact C-O 3.55Å; N1758-A1780 PolarHBondContact O-N 3.32Å; N1758-L1871 HydrophobicContact CB-CD1 3.43Å; N1758-L1871 VanDerWaalsContact CB-CD1 3.43Å; N1758-L1871 WeakPolarHBondContact ND2-CD1 3.34Å
1759V90.1Very high88.1Confident1 Ų159.4 Ų59.41%0.00629%0.287CS..THydrogen-bonded Turntrans-76.4-48.8179.4175.80000112D1756 G1779 A1780 I1781 I1796 W1801 A1811D1756-V1759 HydrophobicContact CB-CG2 4.14Å; D1756-V1759 WeakPolarHBondContact O-CG2 3.28Å; D1756-V1759 PolarHBondContact O-N 2.73Å; V1759-G1779 WeakPolarHBondContact O-CA 3.19Å; V1759-A1780 WeakPolarHBondContact CG2-O 3.37Å; V1759-I1781 HydrophobicContact CG2-CB 4.45Å; V1759-I1781 HydrophobicContact CG2-CG1 3.74Å; V1759-I1796 HydrophobicContact CG1-CG1 4.48Å; V1759-W1801 HydrophobicContact CG1-CH2 4.05Å; V1759-W1801 HydrophobicContact CG1-CZ2 4.27Å; V1759-A1811 HydrophobicContact CG1-CB 4.22Å
1760Y88.3Confident88Confident69 Ų6957.7 Ų57.727%0.27129%0.292SS..SBendtrans-109.390.3179-179.2-114.4000110.6V1762 P1776 W1801 L1807Y1760-V1762 HydrophobicContact CD1-CG2 4.14Å; Y1760-V1762 HydrophobicContact CE1-CG2 3.46Å; Y1760-V1762 VanDerWaalsContact CE1-CG2 3.46Å; Y1760-V1762 HydrophobicContact CE2-CG2 3.89Å; Y1760-V1762 WeakPolarHBondContact OH-CG2 3.23Å; Y1760-P1776 HydrophobicContact CE2-CB 4.13Å; Y1760-W1801 HydrophobicContact CD2-CD2 4.42Å; Y1760-W1801 HydrophobicContact CD2-CZ2 4.4Å; Y1760-L1807 HydrophobicContact CD2-CB 4.2Å; Y1760-L1807 HydrophobicContact CE1-CB 4.39Å; Y1760-L1807 HydrophobicContact CE2-CB 3.61Å; Y1760-L1807 HydrophobicContact CE2-CD1 3.8Å; Y1760-L1807 HydrophobicContact CE2-CG 4.33Å
1761R87.4Confident87.6Confident54 Ų5460.9 Ų60.920%0.20431%0.309CS..EExtended strand (participates in β ladder)trans-99.1143.6175.9-60.7-168.3-59.2173.71.2110.3P1776 I1777 N1778 I1880R1761-P1776 WeakPolarHBondContact O-CA 3.49Å; R1761-I1777 HydrophobicContact CB-CD1 3.75Å; R1761-I1777 HydrophobicContact CB-CG1 3.39Å; R1761-I1777 PolarHBondContact O-N 2.74Å; R1761-N1778 PolarHBondContact NE-O 2.87Å; R1761-N1778 PolarHBondContact NH2-O 3Å; R1761-I1880 VanDerWaalsContact NH2-CG2 3.29Å
1762V86.7Confident87.1Confident51 Ų5167.2 Ų67.231%0.30934%0.342SS..EExtended strand (participates in β ladder)trans-134.6138.6-173.5170.10000110.7Y1760 T1774 K1775Y1760-V1762 HydrophobicContact CD1-CG2 4.14Å; Y1760-V1762 HydrophobicContact CE1-CG2 3.46Å; Y1760-V1762 VanDerWaalsContact CE1-CG2 3.46Å; Y1760-V1762 HydrophobicContact CE2-CG2 3.89Å; Y1760-V1762 WeakPolarHBondContact OH-CG2 3.23Å; V1762-T1774 HydrophobicContact CG1-CG2 3.55Å; V1762-K1775 CarbonylContact C-O 3.58Å; V1762-K1775 WeakPolarHBondContact CA-O 3.43Å
1763T86.7Confident86.5Confident69 Ų6969.1 Ų69.142%0.42335%0.354SS..EExtended strand (participates in β ladder)trans-104.3134.2163.753.60000109.9K1775 I1777T1763-K1775 PolarHBondContact N-O 3.32Å; T1763-K1775 PolarHBondContact O-N 3.34Å; T1763-K1775 PolarHBondContact OG1-O 3.36Å; T1763-I1777 HydrophobicContact CG2-CD1 4.38Å; T1763-I1777 HydrophobicContact CG2-CG2 3.77Å
1764I87.3Confident86Confident120 Ų12072.9 Ų72.962%0.61538%0.377SS*.EExtended strand (participates in β ladder)trans-93.2129.4-178.6-56.6170.8000108.5L1772I1764-L1772 HydrophobicContact CG2-CB 4.06Å; I1764-L1772 HydrophobicContact CG2-CD2 3.71Å; I1764-L1772 HydrophobicContact CG2-CG 4.42Å
1765H85.2Confident85.6Confident67 Ų6778.6 Ų78.631%0.3140%0.402SS..EExtended strand (participates in β ladder)trans-131159.7173.162.9-65.9000110T1773 K1775H1765-T1773 WeakPolarHBondContact CE1-CG2 3.42Å; H1765-T1773 PolarHBondContact N-O 2.98Å; H1765-T1773 PolarHBondContact ND1-O 3.25Å; H1765-T1773 VanDerWaalsContact ND1-O 3.14Å; H1765-T1773 WeakPolarHBondContact NE2-CG2 3.33Å; H1765-T1773 VanDerWaalsContact O-CG2 3.28Å; H1765-T1773 WeakPolarHBondContact O-CG2 3.41Å; H1765-T1773 PolarHBondContact O-N 3.49Å; H1765-T1773 VanDerWaalsContact O-O 3.07Å; H1765-K1775 VanDerWaalsContact CE1-CG 3.4Å; H1765-K1775 WeakPolarHBondContact CE1-CG 3.43Å
1766K88Confident85.4Confident171 Ų17180.1 Ų80.174%0.74341%0.412SS*.EExtended strand (participates in β ladder)trans-89.4134.8176.5-65.7179-178175.50109.5
1767T83.6Confident85.4Confident51 Ų5182 Ų8231%0.31342%0.422SS..  trans-71.9166.7165.458.10000110.5E1769 G1770 N1771 T1773T1767-E1769 PolarHBondContact O-N 2.77Å; T1767-G1770 PolarHBondContact O-N 3.47Å; T1767-N1771 HydrophobicContact CG2-CB 4.48Å; T1767-N1771 PolarHBondContact N-O 3.01Å; T1767-N1771 WeakPolarHBondContact OG1-CA 3.37Å; T1767-N1771 WeakPolarHBondContact OG1-CB 3.39Å; T1767-N1771 PolarHBondContact OG1-N 2.9Å; T1767-N1771 PolarHBondContact OG1-O 2.74Å; T1767-T1773 HydrophobicContact CG2-CG2 3.37Å
1768F83.8Confident85.6Confident220 Ų22080.5 Ų80.597%0.96541%0.412SS*.THydrogen-bonded Turntrans-57.1-32.1171.2-173.2-94.6000113.1G1770F1768-G1770 PolarHBondContact O-N 2.91Å
1769E80.6Confident85.7Confident163 Ų16379 Ų7976%0.76240%0.404SS*.THydrogen-bonded Turntrans-77.1-4.2176.2-63177.9166.500113.7T1767 N1771T1767-E1769 PolarHBondContact O-N 2.77Å; E1769-N1771 VanDerWaalsContact C-N 3.34Å; E1769-N1771 PolarHBondContact OE2-ND2 3.02Å; E1769-N1771 VanDerWaalsContact OE2-ND2 3.08Å
1770G80Confident85.7Confident47 Ų4779 Ų7949%0.48540%0.404SS..SBendtrans85.9-2.9-175.800000115T1767 F1768T1767-G1770 PolarHBondContact O-N 3.47Å; F1768-G1770 PolarHBondContact O-N 2.91Å
1771N79.2Confident86Confident93 Ų9375.9 Ų75.950%0.49739%0.392SS..  trans-67.9133.9173.8-66.1-50000110.4T1767 E1769 T1773T1767-N1771 HydrophobicContact CG2-CB 4.48Å; T1767-N1771 PolarHBondContact N-O 3.01Å; T1767-N1771 WeakPolarHBondContact OG1-CA 3.37Å; T1767-N1771 WeakPolarHBondContact OG1-CB 3.39Å; T1767-N1771 PolarHBondContact OG1-N 2.9Å; T1767-N1771 PolarHBondContact OG1-O 2.74Å; E1769-N1771 VanDerWaalsContact C-N 3.34Å; E1769-N1771 PolarHBondContact OE2-ND2 3.02Å; E1769-N1771 VanDerWaalsContact OE2-ND2 3.08Å; N1771-T1773 PolarHBondContact O-N 3.02Å
1772L82Confident86.3Confident134 Ų13473.5 Ų73.570%0.70238%0.383SS*.EExtended strand (participates in β ladder)trans-71.1126.7170.9-63.3100.8000109.5I1764I1764-L1772 HydrophobicContact CG2-CB 4.06Å; I1764-L1772 HydrophobicContact CG2-CD2 3.71Å; I1764-L1772 HydrophobicContact CG2-CG 4.42Å
1773T81.8Confident86.6Confident44 Ų4471.1 Ų71.127%0.2737%0.369SS..EExtended strand (participates in β ladder)trans-127.4152.3178.9176.60000110.4H1765 T1767 N1771H1765-T1773 WeakPolarHBondContact CE1-CG2 3.42Å; H1765-T1773 PolarHBondContact N-O 2.98Å; H1765-T1773 PolarHBondContact ND1-O 3.25Å; H1765-T1773 VanDerWaalsContact ND1-O 3.14Å; H1765-T1773 WeakPolarHBondContact NE2-CG2 3.33Å; H1765-T1773 VanDerWaalsContact O-CG2 3.28Å; H1765-T1773 WeakPolarHBondContact O-CG2 3.41Å; H1765-T1773 PolarHBondContact O-N 3.49Å; H1765-T1773 VanDerWaalsContact O-O 3.07Å; T1767-T1773 HydrophobicContact CG2-CG2 3.37Å; N1771-T1773 PolarHBondContact O-N 3.02Å
1774T82.9Confident87Confident78 Ų7867.9 Ų67.948%0.47935%0.349SS..EExtended strand (participates in β ladder)trans-109.9125.2-169.650.70000110V1762V1762-T1774 HydrophobicContact CG1-CG2 3.55Å
1775K84.9Confident87.2Confident122 Ų12262.5 Ų62.553%0.5332%0.321SS..EExtended strand (participates in β ladder)trans-104.8128.6168.8-95.4169.9-174-169.60109.4V1762 T1763 H1765V1762-K1775 CarbonylContact C-O 3.58Å; V1762-K1775 WeakPolarHBondContact CA-O 3.43Å; T1763-K1775 PolarHBondContact N-O 3.32Å; T1763-K1775 PolarHBondContact O-N 3.34Å; T1763-K1775 PolarHBondContact OG1-O 3.36Å; H1765-K1775 VanDerWaalsContact CE1-CG 3.4Å; H1765-K1775 WeakPolarHBondContact CE1-CG 3.43Å
1776P87.6Confident87.4Confident39 Ų3959.3 Ų59.325%0.25331%0.306SS..EExtended strand (participates in β ladder)trans-71.1145.3174.730.5-33.5000110.6Y1760 R1761 W1801Y1760-P1776 HydrophobicContact CE2-CB 4.13Å; R1761-P1776 WeakPolarHBondContact O-CA 3.49Å; P1776-W1801 HydrophobicContact CB-CB 4.49Å; P1776-W1801 HydrophobicContact CB-CG 4.18Å; P1776-W1801 HydrophobicContact CG-CB 4.25Å; P1776-W1801 HydrophobicContact CG-CG 4.43Å
1777I89.9Confident87.4Confident50 Ų5054.6 Ų54.626%0.25628%0.284SS..EExtended strand (participates in β ladder)trans-116.5170.1168.364.4176.3000109.5R1761 T1763R1761-I1777 HydrophobicContact CB-CD1 3.75Å; R1761-I1777 HydrophobicContact CB-CG1 3.39Å; R1761-I1777 PolarHBondContact O-N 2.74Å; T1763-I1777 HydrophobicContact CG2-CD1 4.38Å; T1763-I1777 HydrophobicContact CG2-CG2 3.77Å
1778N92.1Very high87.6Confident16 Ų1654.4 Ų54.49%0.08628%0.283CS..  trans-55.3141.5176.2-71.4-10.5000110.9R1761 I1796 H1797 T1798 I1880 A1883R1761-N1778 PolarHBondContact NE-O 2.87Å; R1761-N1778 PolarHBondContact NH2-O 3Å; N1778-I1796 WeakPolarHBondContact CA-O 2.96Å; N1778-H1797 PolarHBondContact OD1-CD2 2.94Å; N1778-H1797 VanDerWaalsContact OD1-CD2 3.26Å; N1778-T1798 PolarHBondContact OD1-N 2.96Å; N1778-I1880 HydrophobicContact CB-CG2 4.22Å; N1778-I1880 WeakPolarHBondContact CB-O 3.09Å; N1778-I1880 PolarHBondContact ND2-O 2.81Å; N1778-I1880 VanDerWaalsContact ND2-O 3.08Å; N1778-A1883 PolarHBondContact ND2-O 3.19Å
1779G90.9Very high87.8Confident0 Ų043.9 Ų43.90%024%0.237CC..EExtended strand (participates in β ladder)trans-123.5178.5174.700000111.9N1758 V1759 I1796N1758-G1779 CarbonylContact O-C 3.49Å; N1758-G1779 WeakPolarHBondContact O-CA 3.32Å; V1759-G1779 WeakPolarHBondContact O-CA 3.19Å; G1779-I1796 PolarHBondContact N-O 3.43Å; G1779-I1796 PolarHBondContact O-N 2.93Å
1780A92Very high88.3Confident2 Ų239.7 Ų39.72%0.01722%0.217CC..EExtended strand (participates in β ladder)trans-143.3145.6173.500000111.8N1758 V1759 L1793 K1794 L1871 I1880N1758-A1780 CarbonylContact C-O 3.55Å; N1758-A1780 PolarHBondContact O-N 3.32Å; V1759-A1780 WeakPolarHBondContact CG2-O 3.37Å; A1780-L1793 HydrophobicContact CB-CD1 3.89Å; A1780-L1793 HydrophobicContact CB-CG 4.43Å; A1780-K1794 CarbonylContact C-O 3.58Å; A1780-K1794 WeakPolarHBondContact CA-O 3.48Å; A1780-L1871 HydrophobicContact CB-CD1 4.49Å; A1780-I1880 HydrophobicContact CB-CD1 3.61Å; A1780-I1880 HydrophobicContact CB-CG1 4.02Å
1781I93.1Very high88.9Confident2 Ų237.4 Ų37.41%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-94.7132166.9-50.7168.4000107.1V1759 I1783 K1794 I1796 T1815 E1818V1759-I1781 HydrophobicContact CG2-CB 4.45Å; V1759-I1781 HydrophobicContact CG2-CG1 3.74Å; I1781-I1783 HydrophobicContact CG2-CD1 4.28Å; I1781-I1783 HydrophobicContact CG2-CG1 3.96Å; I1781-K1794 HydrophobicContact CB-CB 4.15Å; I1781-K1794 HydrophobicContact CD1-CB 4.31Å; I1781-K1794 HydrophobicContact CD1-CG 4.17Å; I1781-K1794 HydrophobicContact CG1-CB 4.49Å; I1781-K1794 PolarHBondContact N-O 3.42Å; I1781-K1794 PolarHBondContact O-N 3.01Å; I1781-I1796 HydrophobicContact CD1-CD1 4.07Å; I1781-I1796 HydrophobicContact CD1-CG1 4.27Å; I1781-I1796 HydrophobicContact CG1-CG1 4.19Å; I1781-T1815 HydrophobicContact CD1-CG2 4.07Å; I1781-T1815 HydrophobicContact CG1-CG2 4.09Å; I1781-T1815 HydrophobicContact CG2-CG2 3.81Å; I1781-E1818 HydrophobicContact CD1-CB 3.64Å; I1781-E1818 HydrophobicContact CD1-CG 4.02Å
1782F94Very high89.5Confident4 Ų433.6 Ų33.62%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-110.7114.5-179.5-176.8-81.9000109D1755 F1784 L1791 L1793 F1867 C1870 L1893D1755-F1782 HydrophobicContact CB-CB 4.26Å; D1755-F1782 HydrophobicContact CB-CD1 4.46Å; D1755-F1782 PolarHBondContact N-O 3.18Å; D1755-F1782 PolarHBondContact O-N 3.05Å; F1782-F1784 HydrophobicContact CD1-CB 4.2Å; F1782-F1784 HydrophobicContact CE1-CB 3.55Å; F1782-F1784 HydrophobicContact CE1-CG 4.28Å; F1782-F1784 HydrophobicContact CZ-CB 4.24Å; F1782-L1791 HydrophobicContact CD1-CD1 4.14Å; F1782-L1791 HydrophobicContact CD2-CD1 3.49Å; F1782-L1791 VanDerWaalsContact CD2-CD1 3.49Å; F1782-L1791 HydrophobicContact CD2-CD2 4.32Å; F1782-L1791 HydrophobicContact CE1-CD1 4.04Å; F1782-L1791 HydrophobicContact CE2-CD1 3.37Å; F1782-L1791 HydrophobicContact CE2-CD2 3.79Å; F1782-L1791 HydrophobicContact CE2-CG 4.25Å; F1782-L1791 HydrophobicContact CG-CD1 3.88Å; F1782-L1791 HydrophobicContact CZ-CD1 3.67Å; F1782-L1791 HydrophobicContact CZ-CD2 4.45Å; F1782-L1793 HydrophobicContact CD2-CD1 4.44Å; F1782-F1867 HydrophobicContact CD1-CB 3.91Å; F1782-F1867 HydrophobicContact CD1-CG 4.14Å; F1782-F1867 HydrophobicContact CE1-CB 3.72Å; F1782-F1867 AromaticContact CE1-CD1 3.61Å; F1782-F1867 HydrophobicContact CE1-CD1 3.61Å; F1782-F1867 HydrophobicContact CE1-CD2 4.39Å; F1782-F1867 HydrophobicContact CE1-CE1 4.33Å; F1782-F1867 AromaticContact CE1-CG 3.66Å; F1782-F1867 HydrophobicContact CE1-CG 3.66Å; F1782-F1867 HydrophobicContact CZ-CB 4.24Å; F1782-F1867 HydrophobicContact CZ-CD1 4.06Å; F1782-F1867 HydrophobicContact CZ-CG 4.38Å; F1782-C1870 HydrophobicContact CE2-CB 3.81Å; F1782-C1870 HydrophobicContact CZ-CB 4.28Å; F1782-L1893 HydrophobicContact CZ-CD1 3.89Å
1783I93.8Very high90.1Very high2 Ų227.2 Ų27.21%0.0114%0.139CC..EExtended strand (participates in β ladder)trans-121.6120178.8-52.3171.7000108.9W1752 F1753 V1754 I1781 L1791 F1792 V1819 L1822W1752-I1783 HydrophobicContact CB-CG2 4.03Å; W1752-I1783 HydrophobicContact CD2-CG2 3.76Å; W1752-I1783 HydrophobicContact CE3-CG2 3.66Å; W1752-I1783 HydrophobicContact CG-CG2 3.95Å; W1752-I1783 HydrophobicContact CZ3-CG2 4.34Å; F1753-I1783 CarbonylContact O-C 3.5Å; F1753-I1783 WeakPolarHBondContact O-CA 3.33Å; V1754-I1783 HydrophobicContact CG2-CG1 4.44Å; I1781-I1783 HydrophobicContact CG2-CD1 4.28Å; I1781-I1783 HydrophobicContact CG2-CG1 3.96Å; I1783-L1791 CarbonylContact O-C 3.57Å; I1783-L1791 WeakPolarHBondContact O-CA 3.42Å; I1783-L1791 WeakPolarHBondContact O-CD1 3.24Å; I1783-F1792 HydrophobicContact CB-CB 4.1Å; I1783-F1792 HydrophobicContact CB-CD2 4.31Å; I1783-F1792 HydrophobicContact CG2-CD2 4.06Å; I1783-F1792 PolarHBondContact N-O 3.48Å; I1783-F1792 PolarHBondContact O-N 3.37Å; I1783-V1819 HydrophobicContact CD1-CG2 3.94Å; I1783-L1822 HydrophobicContact CD1-CD2 3.51Å
1784F93.5Very high90.6Very high0 Ų026.6 Ų26.60%013%0.133CC..EExtended strand (participates in β ladder)trans-129.9133.4-169.7172.9-107.5000112.7W1752 F1753 F1782 P1786 F1867 L1893 Y1894 F1907 L1910W1752-F1784 WeakPolarHBondContact CA-O 3.48Å; F1753-F1784 HydrophobicContact CB-CB 4.46Å; F1753-F1784 HydrophobicContact CD2-CD1 4.27Å; F1753-F1784 PolarHBondContact N-O 2.87Å; F1753-F1784 PolarHBondContact O-N 2.7Å; F1782-F1784 HydrophobicContact CD1-CB 4.2Å; F1782-F1784 HydrophobicContact CE1-CB 3.55Å; F1782-F1784 HydrophobicContact CE1-CG 4.28Å; F1782-F1784 HydrophobicContact CZ-CB 4.24Å; F1784-P1786 VanDerWaalsContact CE1-CA 3.47Å; F1784-P1786 HydrophobicContact CE1-CB 3.97Å; F1784-F1867 HydrophobicContact CD1-CE1 4.06Å; F1784-F1867 HydrophobicContact CD1-CZ 4.2Å; F1784-L1893 HydrophobicContact CD2-CD1 3.6Å; F1784-L1893 HydrophobicContact CD2-CG 4.24Å; F1784-L1893 HydrophobicContact CE2-CB 4Å; F1784-L1893 HydrophobicContact CE2-CD1 3.63Å; F1784-L1893 HydrophobicContact CE2-CG 4.07Å; F1784-L1893 HydrophobicContact CG-CD1 4.39Å; F1784-L1893 HydrophobicContact CZ-CD1 4.45Å; F1784-Y1894 HydrophobicContact CZ-CE1 4.07Å; F1784-Y1894 AromaticContact CZ-CZ 3.92Å; F1784-F1907 HydrophobicContact CD1-CE2 4.3Å; F1784-F1907 AromaticContact CE1-CD2 3.66Å; F1784-F1907 HydrophobicContact CE1-CD2 3.66Å; F1784-F1907 AromaticContact CE1-CE2 3.52Å; F1784-F1907 HydrophobicContact CE1-CE2 3.52Å; F1784-F1907 HydrophobicContact CZ-CD2 4.15Å; F1784-F1907 HydrophobicContact CZ-CE2 4.4Å; F1784-L1910 HydrophobicContact CE1-CD2 4.13Å; F1784-L1910 HydrophobicContact CE2-CD2 4.05Å; F1784-L1910 HydrophobicContact CZ-CD2 3.58Å
1785N92.6Very high91.1Very high7 Ų722.9 Ų22.94%0.03711%0.11CC..  trans-97.9111.1173.9-175.1-23.4000110.4R1787 T1788 G1789 Q1790N1785-R1787 PolarHBondContact O-N 2.92Å; N1785-R1787 WeakPolarHBondContact OD1-CB 3.19Å; N1785-R1787 PolarHBondContact OD1-N 3.18Å; N1785-T1788 WeakPolarHBondContact CB-OG1 3.5Å; N1785-T1788 VanDerWaalsContact CG-OG1 3.23Å; N1785-T1788 PolarHBondContact ND2-OG1 2.93Å; N1785-T1788 PolarHBondContact OD1-N 2.88Å; N1785-G1789 WeakPolarHBondContact O-CA 3.41Å; N1785-G1789 PolarHBondContact O-N 3.16Å; N1785-Q1790 HydrophobicContact CB-CB 4.43Å; N1785-Q1790 PolarHBondContact N-O 3.3Å
1786P90.3Very high91.4Very high0 Ų017.2 Ų17.20%09%0.086CC..THydrogen-bonded Turntrans-70.1-18-17631.1-34.9000113.7L1745 I1751 F1753 F1784 Y1894 F1907L1745-P1786 HydrophobicContact CB-CG 4.49Å; I1751-P1786 VanDerWaalsContact O-CD 3.22Å; I1751-P1786 WeakPolarHBondContact O-CD 3.45Å; F1753-P1786 HydrophobicContact CD2-CB 4.45Å; F1753-P1786 HydrophobicContact CD2-CG 4.21Å; F1753-P1786 HydrophobicContact CE2-CB 4.16Å; F1753-P1786 HydrophobicContact CE2-CG 3.98Å; F1784-P1786 VanDerWaalsContact CE1-CA 3.47Å; F1784-P1786 HydrophobicContact CE1-CB 3.97Å; P1786-Y1894 PolarHBondContact O-OH 3.06Å; P1786-F1907 HydrophobicContact CB-CD2 3.91Å; P1786-F1907 HydrophobicContact CB-CE2 4.02Å; P1786-F1907 HydrophobicContact CB-CG 4.35Å
1787R86.6Confident91.6Very high72 Ų7217.3 Ų17.327%0.2728%0.082SC..THydrogen-bonded Turntrans-81.6-47.7178.1-173.9-179.372.5-167.56.2111.9S1747 N1748 Q1749 N1785 S1903S1747-R1787 PolarHBondContact O-NH1 3.34Å; N1748-R1787 PolarHBondContact O-NH1 3.35Å; Q1749-R1787 PolarHBondContact O-NH1 3.42Å; N1785-R1787 PolarHBondContact O-N 2.92Å; N1785-R1787 WeakPolarHBondContact OD1-CB 3.19Å; N1785-R1787 PolarHBondContact OD1-N 3.18Å; R1787-S1903 WeakPolarHBondContact O-CB 3.09Å
1788T87.5Confident91.5Very high47 Ų4717.3 Ų17.329%0.2889%0.085SC..THydrogen-bonded Turntrans-94.2-19.7-173.161.30000113.5N1785 Q1790N1785-T1788 WeakPolarHBondContact CB-OG1 3.5Å; N1785-T1788 VanDerWaalsContact CG-OG1 3.23Å; N1785-T1788 PolarHBondContact ND2-OG1 2.93Å; N1785-T1788 PolarHBondContact OD1-N 2.88Å; T1788-Q1790 WeakPolarHBondContact OG1-CB 3.41Å; T1788-Q1790 PolarHBondContact OG1-N 2.84Å
1789G88Confident91.3Very high0 Ų019.8 Ų19.80%010%0.104CC..  trans83-2.4-172.300000113.8N1785 L1791 N1892 L1893 Y1894N1785-G1789 WeakPolarHBondContact O-CA 3.41Å; N1785-G1789 PolarHBondContact O-N 3.16Å; G1789-L1791 PolarHBondContact O-N 3.46Å; G1789-N1892 PolarHBondContact O-OD1 2.88Å; G1789-L1893 PolarHBondContact O-N 3.1Å; G1789-Y1894 VanDerWaalsContact CA-CE2 3.42Å; G1789-Y1894 VanDerWaalsContact N-CE2 3.34Å
1790Q91.5Very high91Very high74 Ų7421.8 Ų21.835%0.34612%0.116SC..EExtended strand (participates in β ladder)trans-68.1130.8-176.4-167.917716.800111.7N1785 T1788 F1792N1785-Q1790 HydrophobicContact CB-CB 4.43Å; N1785-Q1790 PolarHBondContact N-O 3.3Å; T1788-Q1790 WeakPolarHBondContact OG1-CB 3.41Å; T1788-Q1790 PolarHBondContact OG1-N 2.84Å; Q1790-F1792 HydrophobicContact CG-CE1 4.48Å; Q1790-F1792 HydrophobicContact CG-CE2 4.27Å; Q1790-F1792 HydrophobicContact CG-CZ 4.06Å
1791L92.4Very high90.6Very high0 Ų022.1 Ų22.10%012%0.116CC..EExtended strand (participates in β ladder)trans-115123.9176.517063.8000109.8F1782 I1783 G1789 L1793 F1876 F1891 L1893F1782-L1791 HydrophobicContact CD1-CD1 4.14Å; F1782-L1791 HydrophobicContact CD2-CD1 3.49Å; F1782-L1791 VanDerWaalsContact CD2-CD1 3.49Å; F1782-L1791 HydrophobicContact CD2-CD2 4.32Å; F1782-L1791 HydrophobicContact CE1-CD1 4.04Å; F1782-L1791 HydrophobicContact CE2-CD1 3.37Å; F1782-L1791 HydrophobicContact CE2-CD2 3.79Å; F1782-L1791 HydrophobicContact CE2-CG 4.25Å; F1782-L1791 HydrophobicContact CG-CD1 3.88Å; F1782-L1791 HydrophobicContact CZ-CD1 3.67Å; F1782-L1791 HydrophobicContact CZ-CD2 4.45Å; I1783-L1791 CarbonylContact O-C 3.57Å; I1783-L1791 WeakPolarHBondContact O-CA 3.42Å; I1783-L1791 WeakPolarHBondContact O-CD1 3.24Å; G1789-L1791 PolarHBondContact O-N 3.46Å; L1791-L1793 HydrophobicContact CG-CB 4.49Å; L1791-F1876 HydrophobicContact CD2-CE1 3.9Å; L1791-F1876 HydrophobicContact CD2-CZ 3.85Å; L1791-F1891 HydrophobicContact CB-CB 4.13Å; L1791-F1891 HydrophobicContact CD2-CB 4.17Å; L1791-F1891 HydrophobicContact CG-CB 4.44Å; L1791-F1891 PolarHBondContact N-O 3.42Å; L1791-F1891 PolarHBondContact O-N 3.32Å; L1791-L1893 HydrophobicContact CB-CG 4.16Å; L1791-L1893 HydrophobicContact CD2-CD1 4.47Å; L1791-L1893 HydrophobicContact CD2-CD2 3.91Å; L1791-L1893 HydrophobicContact CD2-CG 4.29Å
1792F93.3Very high89.9Confident12 Ų1225.7 Ų25.75%0.05315%0.147CC..EExtended strand (participates in β ladder)trans-99.7108.1165.9-48.7-89.9000109.1W1752 I1783 Q1790 L1822 M1888 L1890W1752-F1792 HydrophobicContact CZ2-CE2 4.14Å; I1783-F1792 HydrophobicContact CB-CB 4.1Å; I1783-F1792 HydrophobicContact CB-CD2 4.31Å; I1783-F1792 HydrophobicContact CG2-CD2 4.06Å; I1783-F1792 PolarHBondContact N-O 3.48Å; I1783-F1792 PolarHBondContact O-N 3.37Å; Q1790-F1792 HydrophobicContact CG-CE1 4.48Å; Q1790-F1792 HydrophobicContact CG-CE2 4.27Å; Q1790-F1792 HydrophobicContact CG-CZ 4.06Å; F1792-L1822 HydrophobicContact CB-CD2 4.05Å; F1792-L1822 HydrophobicContact CD1-CD1 4.45Å; F1792-L1822 HydrophobicContact CD1-CD2 4.34Å; F1792-L1822 HydrophobicContact CD2-CD2 4.35Å; F1792-L1822 HydrophobicContact CG-CD2 4.02Å; F1792-M1888 HydrophobicContact CB-CE 4.32Å; F1792-M1888 HydrophobicContact CB-SD 3.8Å; F1792-L1890 HydrophobicContact CD1-CD2 3.24Å; F1792-L1890 HydrophobicContact CE1-CD2 3.48Å; F1792-L1890 VanDerWaalsContact CE1-CD2 3.48Å; F1792-L1890 HydrophobicContact CG-CD2 4.25Å
1793L92.7Very high88.9Confident0 Ų029.6 Ų29.60%019%0.188CC..EExtended strand (participates in β ladder)trans-103.1104.1179-171.372.2000110A1780 F1782 L1791 L1871 F1876 L1879 I1880 V1889 F1891A1780-L1793 HydrophobicContact CB-CD1 3.89Å; A1780-L1793 HydrophobicContact CB-CG 4.43Å; F1782-L1793 HydrophobicContact CD2-CD1 4.44Å; L1791-L1793 HydrophobicContact CG-CB 4.49Å; L1793-L1871 HydrophobicContact CD1-CD2 3.95Å; L1793-F1876 HydrophobicContact CD2-CD1 3.88Å; L1793-F1876 HydrophobicContact CD2-CE1 4.49Å; L1793-L1879 HydrophobicContact CD2-CD2 4.33Å; L1793-I1880 HydrophobicContact CD2-CG1 4.5Å; L1793-V1889 PolarHBondContact N-O 3.02Å; L1793-V1889 PolarHBondContact O-N 3.49Å; L1793-F1891 HydrophobicContact CD2-CE2 4.38Å
1794K93.2Very high88Confident32 Ų3235 Ų3514%0.13921%0.213CC..EExtended strand (participates in β ladder)trans-96.5114.7177.4179.460167.6-1750110.7A1780 I1781 I1796 E1818 P1886 Q1887 M1888A1780-K1794 CarbonylContact C-O 3.58Å; A1780-K1794 WeakPolarHBondContact CA-O 3.48Å; I1781-K1794 HydrophobicContact CB-CB 4.15Å; I1781-K1794 HydrophobicContact CD1-CB 4.31Å; I1781-K1794 HydrophobicContact CD1-CG 4.17Å; I1781-K1794 HydrophobicContact CG1-CB 4.49Å; I1781-K1794 PolarHBondContact N-O 3.42Å; I1781-K1794 PolarHBondContact O-N 3.01Å; K1794-I1796 HydrophobicContact CG-CD1 4.11Å; K1794-E1818 WeakPolarHBondContact CE-OE2 3.31Å; K1794-E1818 IonicContact NZ-OE2 3.83Å; K1794-P1886 PolarHBondContact NZ-O 2.74Å; K1794-Q1887 WeakPolarHBondContact CD-O 3.39Å; K1794-M1888 HydrophobicContact CB-CE 3.74Å; K1794-M1888 HydrophobicContact CB-SD 3.96Å; K1794-M1888 HydrophobicContact CD-CB 4.39Å; K1794-M1888 HydrophobicContact CD-CE 4.23Å; K1794-M1888 HydrophobicContact CG-CE 4.32Å
1795I93.1Very high86.8Confident0 Ų045 Ų450%026%0.256CS..EExtended strand (participates in β ladder)trans-80.7133.5176.7-57.1175.3000109.4L1879 I1880 A1883 P1886 Q1887I1795-L1879 HydrophobicContact CD1-CG 4.1Å; I1795-I1880 HydrophobicContact CG1-CG1 4.36Å; I1795-A1883 HydrophobicContact CD1-CB 3.77Å; I1795-A1883 HydrophobicContact CG2-CB 3.81Å; I1795-P1886 WeakPolarHBondContact O-CA 3.22Å; I1795-P1886 WeakPolarHBondContact O-CB 3.42Å; I1795-Q1887 HydrophobicContact CB-CG 4.46Å; I1795-Q1887 HydrophobicContact CD1-CG 3.95Å; I1795-Q1887 HydrophobicContact CG1-CG 4.48Å; I1795-Q1887 PolarHBondContact N-O 2.93Å
1796I90.8Very high85.6Confident3 Ų353.9 Ų53.92%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-111.1108.5175.6-56.5-63.4000108.6V1759 N1778 G1779 I1781 K1794 V1800 W1801 E1818V1759-I1796 HydrophobicContact CG1-CG1 4.48Å; N1778-I1796 WeakPolarHBondContact CA-O 2.96Å; G1779-I1796 PolarHBondContact N-O 3.43Å; G1779-I1796 PolarHBondContact O-N 2.93Å; I1781-I1796 HydrophobicContact CD1-CD1 4.07Å; I1781-I1796 HydrophobicContact CD1-CG1 4.27Å; I1781-I1796 HydrophobicContact CG1-CG1 4.19Å; K1794-I1796 HydrophobicContact CG-CD1 4.11Å; I1796-V1800 HydrophobicContact CG2-CB 4.16Å; I1796-V1800 HydrophobicContact CG2-CG1 4.44Å; I1796-V1800 HydrophobicContact CG2-CG2 4.12Å; I1796-W1801 HydrophobicContact CG2-CH2 4.23Å; I1796-W1801 HydrophobicContact CG2-CZ2 3.63Å; I1796-E1818 HydrophobicContact CD1-CG 4.16Å
1797H92.2Very high85.1Confident40 Ų4055.2 Ų55.219%0.18530%0.296CS..  trans-73.9154.9-179.8-178-108.5000112.4N1778 S1799 V1800 S1884 P1886N1778-H1797 PolarHBondContact OD1-CD2 2.94Å; N1778-H1797 VanDerWaalsContact OD1-CD2 3.26Å; H1797-S1799 WeakPolarHBondContact ND1-CB 3.48Å; H1797-S1799 PolarHBondContact ND1-N 3.49Å; H1797-S1799 VanDerWaalsContact ND1-N 3.18Å; H1797-S1799 PolarHBondContact ND1-OG 2.83Å; H1797-S1799 PolarHBondContact O-N 3.32Å; H1797-S1799 VanDerWaalsContact O-N 3.08Å; H1797-V1800 PolarHBondContact O-N 3.08Å; H1797-S1884 PolarHBondContact CD2-O 3.19Å; H1797-P1886 HydrophobicContact CB-CG 3.88Å
1798T88.9Confident84.6Confident51 Ų5153.8 Ų53.831%0.31330%0.304SS..G310 helixtrans-57.2-23.7179.857.20000115.1N1778 V1800 W1801N1778-T1798 PolarHBondContact OD1-N 2.96Å; T1798-V1800 PolarHBondContact O-N 3.01Å; T1798-W1801 PolarHBondContact O-N 3.07Å
1799S87.7Confident83.9Confident68 Ų6855.2 Ų55.248%0.47631%0.307SS..G310 helixtrans-60.4-29.2178.855.10000113.5H1797 W1801 A1802H1797-S1799 WeakPolarHBondContact ND1-CB 3.48Å; H1797-S1799 PolarHBondContact ND1-N 3.49Å; H1797-S1799 VanDerWaalsContact ND1-N 3.18Å; H1797-S1799 PolarHBondContact ND1-OG 2.83Å; H1797-S1799 PolarHBondContact O-N 3.32Å; H1797-S1799 VanDerWaalsContact O-N 3.08Å; S1799-W1801 PolarHBondContact O-N 3.01Å; S1799-A1802 PolarHBondContact O-N 3.11Å
1800V83.4Confident83.6Confident41 Ų4157.2 Ų57.225%0.24832%0.318CS..G310 helixtrans-65.4-23179.8-177.50000112.2I1796 H1797 T1798 K1814 P1886I1796-V1800 HydrophobicContact CG2-CB 4.16Å; I1796-V1800 HydrophobicContact CG2-CG1 4.44Å; I1796-V1800 HydrophobicContact CG2-CG2 4.12Å; H1797-V1800 PolarHBondContact O-N 3.08Å; T1798-V1800 PolarHBondContact O-N 3.01Å; V1800-K1814 HydrophobicContact CG1-CD 3.88Å; V1800-K1814 HydrophobicContact CG1-CG 4.12Å; V1800-P1886 HydrophobicContact CG2-CG 4.38Å
1801W85.2Confident83.2Confident9 Ų954 Ų543%0.03430%0.304CS..G310 helixtrans-88.1-8-176.6-49.6122.9000113.9V1759 Y1760 P1776 I1796 T1798 S1799 L1807 L1810 A1811V1759-W1801 HydrophobicContact CG1-CH2 4.05Å; V1759-W1801 HydrophobicContact CG1-CZ2 4.27Å; Y1760-W1801 HydrophobicContact CD2-CD2 4.42Å; Y1760-W1801 HydrophobicContact CD2-CZ2 4.4Å; P1776-W1801 HydrophobicContact CB-CB 4.49Å; P1776-W1801 HydrophobicContact CB-CG 4.18Å; P1776-W1801 HydrophobicContact CG-CB 4.25Å; P1776-W1801 HydrophobicContact CG-CG 4.43Å; I1796-W1801 HydrophobicContact CG2-CH2 4.23Å; I1796-W1801 HydrophobicContact CG2-CZ2 3.63Å; T1798-W1801 PolarHBondContact O-N 3.07Å; S1799-W1801 PolarHBondContact O-N 3.01Å; W1801-L1807 HydrophobicContact CB-CD1 4.41Å; W1801-L1807 HydrophobicContact CB-CD2 4.01Å; W1801-L1807 HydrophobicContact CE3-CD2 4.15Å; W1801-L1810 HydrophobicContact CE3-CD2 4.15Å; W1801-L1810 HydrophobicContact CZ3-CD2 4.34Å; W1801-L1810 HydrophobicContact CZ3-CG 4.3Å; W1801-A1811 HydrophobicContact CH2-CB 3.92Å; W1801-A1811 HydrophobicContact CZ3-CB 4.18Å
1802A77.8Confident82.9Confident78 Ų7857.2 Ų57.265%0.64532%0.318SS*.THydrogen-bonded Turntrans-66.2138.4-175.800000112.2S1799 Q1804S1799-A1802 PolarHBondContact O-N 3.11Å; A1802-Q1804 PolarHBondContact O-N 3.03Å
1803G72.6Confident82.5Confident85 Ų8559.1 Ų59.188%0.87633%0.325SS*.THydrogen-bonded Turntrans83.3-1.7174.600000116.5
1804Q74.7Confident82.1Confident116 Ų11661.4 Ų61.454%0.54234%0.335SS..  trans-116145.7-174.8-62.1-67.7-12.400112.6A1802 L1807 L1810A1802-Q1804 PolarHBondContact O-N 3.03Å; Q1804-L1807 HydrophobicContact CB-CD2 3.84Å; Q1804-L1810 HydrophobicContact CB-CD2 3.82Å; Q1804-L1810 HydrophobicContact CG-CD2 3.73Å
1805K68.8Low82Confident210 Ų21059.9 Ų59.991%0.91333%0.328SS*.SBendtrans-103.7-19.1-178.9-67.4-168.1177.2-171.20115
1806R68.2Low81.8Confident193 Ų19359.9 Ų59.973%0.72833%0.328SS*.  trans-113.660.3-174.8-67.6-172.4178.1-164.6-0.5111.3G1808 Q1809 L1810R1806-G1808 PolarHBondContact O-N 2.69Å; R1806-Q1809 PolarHBondContact O-N 3.09Å; R1806-L1810 PolarHBondContact O-N 2.75Å
1807L79.1Confident81.7Confident28 Ų2863.4 Ų63.415%0.14734%0.344CS..Hα-helixtrans-63.1-37.8-168.2-59.2176000113.6Y1760 W1801 Q1804 Q1809 L1810 A1811Y1760-L1807 HydrophobicContact CD2-CB 4.2Å; Y1760-L1807 HydrophobicContact CE1-CB 4.39Å; Y1760-L1807 HydrophobicContact CE2-CB 3.61Å; Y1760-L1807 HydrophobicContact CE2-CD1 3.8Å; Y1760-L1807 HydrophobicContact CE2-CG 4.33Å; W1801-L1807 HydrophobicContact CB-CD1 4.41Å; W1801-L1807 HydrophobicContact CB-CD2 4.01Å; W1801-L1807 HydrophobicContact CE3-CD2 4.15Å; Q1804-L1807 HydrophobicContact CB-CD2 3.84Å; L1807-Q1809 VanDerWaalsContact C-N 3.3Å; L1807-Q1809 PolarHBondContact O-N 3.01Å; L1807-L1810 HydrophobicContact CD2-CD2 4.23Å; L1807-L1810 CarbonylContact O-C 3.49Å; L1807-L1810 WeakPolarHBondContact O-CB 3.43Å; L1807-L1810 PolarHBondContact O-N 3.17Å; L1807-L1810 VanDerWaalsContact O-N 3.15Å; L1807-A1811 WeakPolarHBondContact O-CB 3.35Å; L1807-A1811 PolarHBondContact O-N 2.8Å
1808G76.8Confident81.5Confident42 Ų4263.9 Ų63.943%0.43335%0.347SS..Hα-helixtrans-66.4-27.3178.100000114.7R1806R1806-G1808 PolarHBondContact O-N 2.69Å
1809Q72.9Confident81.7Confident77 Ų7761.4 Ų61.436%0.3633%0.332SS..Hα-helixtrans-78.3-45170.1-172-179.9-600109.5R1806 L1807 A1811 K1812 W1813R1806-Q1809 PolarHBondContact O-N 3.09Å; L1807-Q1809 VanDerWaalsContact C-N 3.3Å; L1807-Q1809 PolarHBondContact O-N 3.01Å; Q1809-A1811 PolarHBondContact O-N 2.85Å; Q1809-K1812 PolarHBondContact O-N 2.78Å; Q1809-W1813 PolarHBondContact O-N 2.96Å
1810L79.9Confident81.7Confident42 Ų4258.2 Ų58.222%0.2231%0.309CS..Hα-helixtrans-57.3-37.7178.2-17664.7000112.3W1801 Q1804 R1806 L1807 K1812 W1813 K1814W1801-L1810 HydrophobicContact CE3-CD2 4.15Å; W1801-L1810 HydrophobicContact CZ3-CD2 4.34Å; W1801-L1810 HydrophobicContact CZ3-CG 4.3Å; Q1804-L1810 HydrophobicContact CB-CD2 3.82Å; Q1804-L1810 HydrophobicContact CG-CD2 3.73Å; R1806-L1810 PolarHBondContact O-N 2.75Å; L1807-L1810 HydrophobicContact CD2-CD2 4.23Å; L1807-L1810 CarbonylContact O-C 3.49Å; L1807-L1810 WeakPolarHBondContact O-CB 3.43Å; L1807-L1810 PolarHBondContact O-N 3.17Å; L1807-L1810 VanDerWaalsContact O-N 3.15Å; L1810-K1812 VanDerWaalsContact C-N 3.33Å; L1810-K1812 PolarHBondContact O-N 3.15Å; L1810-W1813 PolarHBondContact O-N 3.16Å; L1810-K1814 HydrophobicContact CD1-CG 4.14Å; L1810-K1814 HydrophobicContact CG-CG 4.14Å; L1810-K1814 WeakPolarHBondContact O-CB 3.4Å; L1810-K1814 PolarHBondContact O-N 2.89Å
1811A84.9Confident81.9Confident6 Ų658.4 Ų58.45%0.0532%0.315CS..Hα-helixtrans-54.5-49.2178.300000111.5V1759 W1801 L1807 Q1809 W1813 K1814 T1815V1759-A1811 HydrophobicContact CG1-CB 4.22Å; W1801-A1811 HydrophobicContact CH2-CB 3.92Å; W1801-A1811 HydrophobicContact CZ3-CB 4.18Å; L1807-A1811 WeakPolarHBondContact O-CB 3.35Å; L1807-A1811 PolarHBondContact O-N 2.8Å; Q1809-A1811 PolarHBondContact O-N 2.85Å; A1811-W1813 PolarHBondContact O-N 3.1Å; A1811-K1814 PolarHBondContact O-N 2.87Å; A1811-T1815 PolarHBondContact O-N 2.81Å; A1811-T1815 PolarHBondContact O-OG1 3.22Å
1812K86.1Confident82.2Confident68 Ų6858.7 Ų58.730%0.29632%0.317SS..Hα-helixtrans-63.7-41.4178.8-59.5170.3167.8-162.90113.1Q1809 L1810 T1815 A1816 G1841 M1842 P1845Q1809-K1812 PolarHBondContact O-N 2.78Å; L1810-K1812 VanDerWaalsContact C-N 3.33Å; L1810-K1812 PolarHBondContact O-N 3.15Å; K1812-T1815 PolarHBondContact O-N 3.07Å; K1812-A1816 WeakPolarHBondContact O-CB 3.34Å; K1812-A1816 PolarHBondContact O-N 3.26Å; K1812-G1841 WeakPolarHBondContact CD-O 3.49Å; K1812-M1842 HydrophobicContact CB-SD 3.79Å; K1812-M1842 HydrophobicContact CG-SD 4.24Å; K1812-M1842 VanDerWaalsContact O-SD 3.36Å; K1812-P1845 HydrophobicContact CB-CG 4.06Å
1813W83.2Confident82.8Confident52 Ų5255 Ų5520%0.19729%0.286CS..Hα-helixtrans-68.2-40.2177.8-76.371.9000111.4Q1809 L1810 A1811 A1816 E1817 V1848 H1849Q1809-W1813 PolarHBondContact O-N 2.96Å; L1810-W1813 PolarHBondContact O-N 3.16Å; A1811-W1813 PolarHBondContact O-N 3.1Å; W1813-A1816 PolarHBondContact O-N 2.65Å; W1813-E1817 VanDerWaalsContact O-CB 3.32Å; W1813-E1817 WeakPolarHBondContact O-CB 3.47Å; W1813-E1817 PolarHBondContact O-N 2.99Å; W1813-V1848 HydrophobicContact CH2-CB 4.26Å; W1813-V1848 HydrophobicContact CH2-CG1 3.85Å; W1813-V1848 HydrophobicContact CH2-CG2 4.38Å; W1813-V1848 HydrophobicContact CZ3-CB 4.38Å; W1813-V1848 HydrophobicContact CZ3-CG1 3.79Å; W1813-H1849 AromaticContact CE3-CD2 3.94Å; W1813-H1849 AromaticContact CE3-NE2 3.36Å; W1813-H1849 AromaticContact CZ3-NE2 3.81Å
1814K85.1Confident83.5Confident48 Ų4857 Ų5721%0.20927%0.267CS..Hα-helixtrans-65.1-42.8173.9-82.4-74.4171.2-159.10111.4V1800 L1810 A1811 A1816 E1817 E1818V1800-K1814 HydrophobicContact CG1-CD 3.88Å; V1800-K1814 HydrophobicContact CG1-CG 4.12Å; L1810-K1814 HydrophobicContact CD1-CG 4.14Å; L1810-K1814 HydrophobicContact CG-CG 4.14Å; L1810-K1814 WeakPolarHBondContact O-CB 3.4Å; L1810-K1814 PolarHBondContact O-N 2.89Å; A1811-K1814 PolarHBondContact O-N 2.87Å; K1814-A1816 VanDerWaalsContact C-N 3.33Å; K1814-A1816 PolarHBondContact O-N 2.8Å; K1814-E1817 WeakPolarHBondContact CD-OE2 3.35Å; K1814-E1817 VanDerWaalsContact CE-OE2 3.31Å; K1814-E1817 WeakPolarHBondContact CE-OE2 3.17Å; K1814-E1817 IonicContact NZ-OE1 3.81Å; K1814-E1817 PolarHBondContact NZ-OE1 2.9Å; K1814-E1817 IonicContact NZ-OE2 3.58Å; K1814-E1817 PolarHBondContact NZ-OE2 3.3Å; K1814-E1817 WeakPolarHBondContact O-CB 3.49Å; K1814-E1817 PolarHBondContact O-N 2.68Å; K1814-E1818 WeakPolarHBondContact O-CB 3.41Å; K1814-E1818 VanDerWaalsContact O-CG 3.24Å; K1814-E1818 WeakPolarHBondContact O-CG 3.38Å; K1814-E1818 PolarHBondContact O-N 2.96Å
1815T91.1Very high84.1Confident0 Ų055.6 Ų55.60%027%0.271CS..Hα-helixtrans-57.5-47.1173.1-52.30000111.2V1754 D1756 I1781 A1811 K1812 E1817 E1818 V1819 M1842V1754-T1815 HydrophobicContact CG1-CG2 4.36Å; D1756-T1815 HydrophobicContact CB-CG2 4.12Å; I1781-T1815 HydrophobicContact CD1-CG2 4.07Å; I1781-T1815 HydrophobicContact CG1-CG2 4.09Å; I1781-T1815 HydrophobicContact CG2-CG2 3.81Å; A1811-T1815 PolarHBondContact O-N 2.81Å; A1811-T1815 PolarHBondContact O-OG1 3.22Å; K1812-T1815 PolarHBondContact O-N 3.07Å; T1815-E1817 PolarHBondContact O-N 3.43Å; T1815-E1818 PolarHBondContact O-N 3.5Å; T1815-V1819 HydrophobicContact CG2-CG2 4.39Å; T1815-V1819 WeakPolarHBondContact O-CB 3.41Å; T1815-V1819 WeakPolarHBondContact O-CG2 3.41Å; T1815-V1819 PolarHBondContact O-N 2.97Å; T1815-M1842 HydrophobicContact CG2-CE 3.41Å; T1815-M1842 VanDerWaalsContact CG2-CE 3.41Å; T1815-M1842 HydrophobicContact CG2-SD 4.07Å
1816A88.7Confident85Confident0 Ų046.6 Ų46.60%023%0.233CC..Hα-helixtrans-65.7-37.7178.500000113K1812 W1813 K1814 A1820 M1842 P1845 L1846 H1849K1812-A1816 WeakPolarHBondContact O-CB 3.34Å; K1812-A1816 PolarHBondContact O-N 3.26Å; W1813-A1816 PolarHBondContact O-N 2.65Å; K1814-A1816 VanDerWaalsContact C-N 3.33Å; K1814-A1816 PolarHBondContact O-N 2.8Å; A1816-A1820 WeakPolarHBondContact O-CB 3.32Å; A1816-A1820 PolarHBondContact O-N 2.89Å; A1816-M1842 HydrophobicContact CB-CE 4.28Å; A1816-P1845 HydrophobicContact CB-CB 3.72Å; A1816-L1846 HydrophobicContact CB-CD2 3.89Å; A1816-L1846 HydrophobicContact CB-CG 4.15Å; A1816-H1849 HydrophobicContact CB-CB 4.22Å
1817E87.8Confident85.8Confident77 Ų7740.7 Ų40.736%0.3622%0.219SC..Hα-helixtrans-61.4-46.8174.2-174.2-175.4166.400111.5W1813 K1814 T1815 A1820 A1821W1813-E1817 VanDerWaalsContact O-CB 3.32Å; W1813-E1817 WeakPolarHBondContact O-CB 3.47Å; W1813-E1817 PolarHBondContact O-N 2.99Å; K1814-E1817 WeakPolarHBondContact CD-OE2 3.35Å; K1814-E1817 VanDerWaalsContact CE-OE2 3.31Å; K1814-E1817 WeakPolarHBondContact CE-OE2 3.17Å; K1814-E1817 IonicContact NZ-OE1 3.81Å; K1814-E1817 PolarHBondContact NZ-OE1 2.9Å; K1814-E1817 IonicContact NZ-OE2 3.58Å; K1814-E1817 PolarHBondContact NZ-OE2 3.3Å; K1814-E1817 WeakPolarHBondContact O-CB 3.49Å; K1814-E1817 PolarHBondContact O-N 2.68Å; T1815-E1817 PolarHBondContact O-N 3.43Å; E1817-A1820 PolarHBondContact O-N 3.26Å; E1817-A1821 WeakPolarHBondContact O-CB 3.41Å; E1817-A1821 PolarHBondContact O-N 2.89Å
1818E89.5Confident85.8Confident50 Ų5044 Ų4423%0.23424%0.241CC..Hα-helixtrans-70.2-36.9179.3-64.1-67154.400112.3I1781 K1794 I1796 K1814 T1815 A1821 L1822I1781-E1818 HydrophobicContact CD1-CB 3.64Å; I1781-E1818 HydrophobicContact CD1-CG 4.02Å; K1794-E1818 WeakPolarHBondContact CE-OE2 3.31Å; K1794-E1818 IonicContact NZ-OE2 3.83Å; I1796-E1818 HydrophobicContact CD1-CG 4.16Å; K1814-E1818 WeakPolarHBondContact O-CB 3.41Å; K1814-E1818 VanDerWaalsContact O-CG 3.24Å; K1814-E1818 WeakPolarHBondContact O-CG 3.38Å; K1814-E1818 PolarHBondContact O-N 2.96Å; T1815-E1818 PolarHBondContact O-N 3.5Å; E1818-A1821 PolarHBondContact O-N 2.98Å; E1818-L1822 WeakPolarHBondContact O-CB 3.29Å; E1818-L1822 PolarHBondContact O-N 3.22Å
1819V91.9Very high86Confident0 Ų049.4 Ų49.40%025%0.254CS..Hα-helixtrans-63.5-45.5172.8170.10000110.4V1754 I1783 T1815 A1821 L1822 I1823 I1835 L1846V1754-V1819 HydrophobicContact CG1-CG2 4.11Å; V1754-V1819 HydrophobicContact CG2-CG2 4.39Å; I1783-V1819 HydrophobicContact CD1-CG2 3.94Å; T1815-V1819 HydrophobicContact CG2-CG2 4.39Å; T1815-V1819 WeakPolarHBondContact O-CB 3.41Å; T1815-V1819 WeakPolarHBondContact O-CG2 3.41Å; T1815-V1819 PolarHBondContact O-N 2.97Å; V1819-A1821 VanDerWaalsContact C-N 3.32Å; V1819-A1821 PolarHBondContact O-N 3.41Å; V1819-L1822 PolarHBondContact O-N 3.17Å; V1819-I1823 HydrophobicContact CG1-CD1 3.95Å; V1819-I1823 WeakPolarHBondContact O-CD1 3.47Å; V1819-I1823 VanDerWaalsContact O-CG1 3.3Å; V1819-I1823 WeakPolarHBondContact O-CG1 3.48Å; V1819-I1823 PolarHBondContact O-N 3.44Å; V1819-I1835 HydrophobicContact CG1-CD1 4.34Å; V1819-L1846 HydrophobicContact CB-CD2 3.98Å; V1819-L1846 HydrophobicContact CG1-CD2 3.8Å; V1819-L1846 HydrophobicContact CG2-CD2 4.49Å
1820A87.9Confident86.5Confident0 Ų050.8 Ų50.80%026%0.261CS..Hα-helixtrans-65.4-35.117600000112.4A1816 E1817 R1824 H1849 L1850A1816-A1820 WeakPolarHBondContact O-CB 3.32Å; A1816-A1820 PolarHBondContact O-N 2.89Å; E1817-A1820 PolarHBondContact O-N 3.26Å; A1820-R1824 PolarHBondContact O-N 3.4Å; A1820-H1849 HydrophobicContact CB-CB 4.18Å; A1820-L1850 HydrophobicContact CB-CD2 3.88Å
1821A88.3Confident86.8Confident45 Ų4550.5 Ų50.537%0.37226%0.258SS..Hα-helixtrans-66.8-39.3174.100000112.1E1817 E1818 V1819 R1824 S1825E1817-A1821 WeakPolarHBondContact O-CB 3.41Å; E1817-A1821 PolarHBondContact O-N 2.89Å; E1818-A1821 PolarHBondContact O-N 2.98Å; V1819-A1821 VanDerWaalsContact C-N 3.32Å; V1819-A1821 PolarHBondContact O-N 3.41Å; A1821-R1824 WeakPolarHBondContact O-CB 3.43Å; A1821-R1824 PolarHBondContact O-N 3.15Å; A1821-S1825 PolarHBondContact O-N 3.25Å; A1821-S1825 VanDerWaalsContact O-N 3.11Å
1822L90.9Very high87.1Confident15 Ų1550.2 Ų50.28%0.07926%0.256CS..Hα-helixtrans-62.2-47.6173.7-179.958.9000111W1752 I1783 F1792 E1818 V1819 R1824 S1825 L1826 M1888W1752-L1822 HydrophobicContact CH2-CD2 3.98Å; W1752-L1822 HydrophobicContact CH2-CG 4.01Å; W1752-L1822 HydrophobicContact CZ3-CD2 4.06Å; W1752-L1822 HydrophobicContact CZ3-CG 4.35Å; I1783-L1822 HydrophobicContact CD1-CD2 3.51Å; F1792-L1822 HydrophobicContact CB-CD2 4.05Å; F1792-L1822 HydrophobicContact CD1-CD1 4.45Å; F1792-L1822 HydrophobicContact CD1-CD2 4.34Å; F1792-L1822 HydrophobicContact CD2-CD2 4.35Å; F1792-L1822 HydrophobicContact CG-CD2 4.02Å; E1818-L1822 WeakPolarHBondContact O-CB 3.29Å; E1818-L1822 PolarHBondContact O-N 3.22Å; V1819-L1822 PolarHBondContact O-N 3.17Å; L1822-R1824 VanDerWaalsContact C-N 3.28Å; L1822-R1824 PolarHBondContact O-N 3.03Å; L1822-S1825 WeakPolarHBondContact CA-OG 3.43Å; L1822-S1825 WeakPolarHBondContact O-CA 3.48Å; L1822-S1825 PolarHBondContact O-N 3.04Å; L1822-S1825 PolarHBondContact O-OG 3.24Å; L1822-L1826 HydrophobicContact CD1-CD1 4.17Å; L1822-L1826 HydrophobicContact CG-CD1 4Å; L1822-L1826 WeakPolarHBondContact O-CD1 3.5Å; L1822-L1826 PolarHBondContact O-N 3.44Å; L1822-M1888 HydrophobicContact CD1-CE 3.94Å; L1822-M1888 HydrophobicContact CD2-CE 3.91Å; L1822-M1888 HydrophobicContact CG-CE 4.35Å
1823I90.4Very high87.2Confident0 Ų051.8 Ų51.80%026%0.263CS..Hα-helixtrans-59.7-40.6178-64.9162.1000111.1W1752 V1819 S1825 L1826 Q1831 P1832 I1835 L1850 F1853 I1856W1752-I1823 HydrophobicContact CH2-CG1 3.87Å; W1752-I1823 HydrophobicContact CZ3-CD1 4.21Å; W1752-I1823 HydrophobicContact CZ3-CG1 3.53Å; V1819-I1823 HydrophobicContact CG1-CD1 3.95Å; V1819-I1823 WeakPolarHBondContact O-CD1 3.47Å; V1819-I1823 VanDerWaalsContact O-CG1 3.3Å; V1819-I1823 WeakPolarHBondContact O-CG1 3.48Å; V1819-I1823 PolarHBondContact O-N 3.44Å; I1823-S1825 PolarHBondContact O-N 3.27Å; I1823-L1826 PolarHBondContact O-N 3.49Å; I1823-Q1831 HydrophobicContact CG2-CG 4.01Å; I1823-Q1831 PolarHBondContact O-NE2 3.09Å; I1823-P1832 HydrophobicContact CD1-CG 4.25Å; I1823-P1832 HydrophobicContact CG1-CG 4.13Å; I1823-I1835 HydrophobicContact CD1-CD1 3.67Å; I1823-L1850 HydrophobicContact CD1-CD1 4.45Å; I1823-L1850 HydrophobicContact CD1-CD2 3.53Å; I1823-F1853 HydrophobicContact CB-CE2 4.26Å; I1823-F1853 HydrophobicContact CB-CZ 4.35Å; I1823-F1853 HydrophobicContact CG2-CD1 4.08Å; I1823-F1853 HydrophobicContact CG2-CD2 4.07Å; I1823-F1853 HydrophobicContact CG2-CE1 3.81Å; I1823-F1853 HydrophobicContact CG2-CE2 3.79Å; I1823-F1853 HydrophobicContact CG2-CG 4.2Å; I1823-F1853 HydrophobicContact CG2-CZ 3.65Å; I1823-I1856 HydrophobicContact CD1-CD1 4.1Å; I1823-I1856 HydrophobicContact CG2-CD1 3.9Å
1824R87Confident87.5Confident127 Ų12750.2 Ų50.248%0.47926%0.258SS..Hα-helixtrans-61.2-30.3172.9-83.9-173.8-98-96.7-1.8113.8A1820 A1821 L1822 D1852 F1853A1820-R1824 PolarHBondContact O-N 3.4Å; A1821-R1824 WeakPolarHBondContact O-CB 3.43Å; A1821-R1824 PolarHBondContact O-N 3.15Å; L1822-R1824 VanDerWaalsContact C-N 3.28Å; L1822-R1824 PolarHBondContact O-N 3.03Å; R1824-D1852 IonicContact CZ-OD2 3.9Å; R1824-D1852 IonicContact NH1-OD2 3.98Å; R1824-D1852 PolarHBondContact NH1-OD2 3.46Å; R1824-F1853 HydrophobicContact CB-CZ 4.45Å; R1824-F1853 HydrophobicContact CG-CE2 3.99Å; R1824-F1853 HydrophobicContact CG-CZ 3.58Å
1825S88.1Confident87.8Confident87 Ų8748 Ų4861%0.60825%0.248SC*.Hα-helixtrans-82.6-13-179.567.70000114.1A1821 L1822 I1823A1821-S1825 PolarHBondContact O-N 3.25Å; A1821-S1825 VanDerWaalsContact O-N 3.11Å; L1822-S1825 WeakPolarHBondContact CA-OG 3.43Å; L1822-S1825 WeakPolarHBondContact O-CA 3.48Å; L1822-S1825 PolarHBondContact O-N 3.04Å; L1822-S1825 PolarHBondContact O-OG 3.24Å; I1823-S1825 PolarHBondContact O-N 3.27Å
1826L86.7Confident87.8Confident22 Ų2248 Ų4812%0.11525%0.248CC..SBendtrans-92.5144.4178.7-76140.6000111.6W1752 L1822 I1823 E1830 Q1831W1752-L1826 HydrophobicContact CH2-CD1 3.26Å; W1752-L1826 HydrophobicContact CZ2-CD1 3.45Å; W1752-L1826 VanDerWaalsContact CZ2-CD1 3.45Å; L1822-L1826 HydrophobicContact CD1-CD1 4.17Å; L1822-L1826 HydrophobicContact CG-CD1 4Å; L1822-L1826 WeakPolarHBondContact O-CD1 3.5Å; L1822-L1826 PolarHBondContact O-N 3.44Å; I1823-L1826 PolarHBondContact O-N 3.49Å; L1826-E1830 HydrophobicContact CB-CB 4.4Å; L1826-E1830 HydrophobicContact CD2-CB 3.85Å; L1826-E1830 VanDerWaalsContact CD2-OE2 3.3Å; L1826-E1830 WeakPolarHBondContact CD2-OE2 3.23Å; L1826-Q1831 HydrophobicContact CB-CG 4.47Å; L1826-Q1831 PolarHBondContact O-NE2 2.85Å
1827P85.9Confident88Confident68 Ų6848 Ų4844%0.44225%0.248SC..  trans-55.9152.2167.7-2232.8000112.1E1829 E1830 Q1831P1827-E1829 WeakPolarHBondContact CB-OE2 3.4Å; P1827-E1829 PolarHBondContact O-N 3.09Å; P1827-E1829 VanDerWaalsContact O-N 3.16Å; P1827-E1830 PolarHBondContact O-N 3.22Å; P1827-Q1831 WeakPolarHBondContact O-CG 3.36Å; P1827-Q1831 PolarHBondContact O-N 3.15Å; P1827-Q1831 VanDerWaalsContact O-N 3.15Å
1828V79.8Confident87.9Confident99 Ų9946 Ų4660%0.624%0.241SC*.THydrogen-bonded Turntrans-60.1-30.1-176.5176.70000111.8E1830 Q1831V1828-E1830 VanDerWaalsContact C-N 3.3Å; V1828-E1830 PolarHBondContact O-N 3Å; V1828-Q1831 PolarHBondContact O-N 3.11Å
1829E80.2Confident87.7Confident154 Ų15449.8 Ų49.872%0.7225%0.253SS*.THydrogen-bonded Turntrans-67.9-28.8175.9-58.376-163.700112.6I1750 P1827I1750-E1829 WeakPolarHBondContact CD1-O 3.47Å; P1827-E1829 WeakPolarHBondContact CB-OE2 3.4Å; P1827-E1829 PolarHBondContact O-N 3.09Å; P1827-E1829 VanDerWaalsContact O-N 3.16Å
1830E83.1Confident87.1Confident107 Ų10756.3 Ų56.350%0.528%0.282SS..THydrogen-bonded Turntrans-97.8-5.1-179.3-62.4-169.1165.400113.4I1750 L1826 P1827 V1828I1750-E1830 VanDerWaalsContact CD1-C 3.49Å; I1750-E1830 VanDerWaalsContact CD1-CA 3.46Å; I1750-E1830 WeakPolarHBondContact CD1-O 3.27Å; L1826-E1830 HydrophobicContact CB-CB 4.4Å; L1826-E1830 HydrophobicContact CD2-CB 3.85Å; L1826-E1830 VanDerWaalsContact CD2-OE2 3.3Å; L1826-E1830 WeakPolarHBondContact CD2-OE2 3.23Å; P1827-E1830 PolarHBondContact O-N 3.22Å; V1828-E1830 VanDerWaalsContact C-N 3.3Å; V1828-E1830 PolarHBondContact O-N 3Å
1831Q86.9Confident86.8Confident35 Ų3557.7 Ų57.716%0.16430%0.296CS..SBendtrans-67.2139.9179-74.9176.210.100111.7I1823 L1826 P1827 V1828 K1833I1823-Q1831 HydrophobicContact CG2-CG 4.01Å; I1823-Q1831 PolarHBondContact O-NE2 3.09Å; L1826-Q1831 HydrophobicContact CB-CG 4.47Å; L1826-Q1831 PolarHBondContact O-NE2 2.85Å; P1827-Q1831 WeakPolarHBondContact O-CG 3.36Å; P1827-Q1831 PolarHBondContact O-N 3.15Å; P1827-Q1831 VanDerWaalsContact O-N 3.15Å; V1828-Q1831 PolarHBondContact O-N 3.11Å; Q1831-K1833 PolarHBondContact O-N 3.27Å
1832P90Very high86.6Confident1 Ų155.6 Ų55.61%0.00628%0.278CS..  trans-67.3136.4178.929.3-34.8000110.8I1750 W1752 I1823 I1835 I1856I1750-P1832 HydrophobicContact CG2-CB 4.3Å; I1750-P1832 CarbonylContact O-C 3.59Å; I1750-P1832 VanDerWaalsContact O-CA 3.31Å; I1750-P1832 WeakPolarHBondContact O-CA 3.49Å; W1752-P1832 HydrophobicContact CD2-CB 3.91Å; W1752-P1832 HydrophobicContact CD2-CG 3.86Å; W1752-P1832 HydrophobicContact CE3-CB 4.27Å; W1752-P1832 HydrophobicContact CE3-CG 3.75Å; W1752-P1832 HydrophobicContact CG-CB 4.07Å; W1752-P1832 HydrophobicContact CH2-CG 4.12Å; W1752-P1832 HydrophobicContact CZ2-CG 4.23Å; W1752-P1832 HydrophobicContact CZ3-CG 3.9Å; I1823-P1832 HydrophobicContact CD1-CG 4.25Å; I1823-P1832 HydrophobicContact CG1-CG 4.13Å; P1832-I1835 HydrophobicContact CB-CG1 4.15Å; P1832-I1835 HydrophobicContact CG-CD1 4.1Å; P1832-I1835 HydrophobicContact CG-CG1 4.01Å; P1832-I1856 HydrophobicContact CG-CD1 4.36Å; P1832-I1856 WeakPolarHBondContact O-CG1 3.39Å
1833K88.2Confident86.2Confident101 Ų10155.7 Ų55.744%0.43928%0.279SS..SBendtrans-84.1-28.6168.2-63.7-64.1-175.7-176.40111.5Q1749 I1750 Q1831 V1857Q1749-K1833 HydrophobicContact CB-CB 4.27Å; I1750-K1833 PolarHBondContact O-N 3.44Å; Q1831-K1833 PolarHBondContact O-N 3.27Å; K1833-V1857 PolarHBondContact O-N 2.82Å
1834Q89.6Confident85.4Confident19 Ų1958.8 Ų58.89%0.08930%0.295CS..EExtended strand (participates in β ladder)trans-132.9137.3175.5-49.8-171.111.500111.5I1750 I1751 W1752 V1857I1750-Q1834 PolarHBondContact O-N 3.42Å; I1751-Q1834 WeakPolarHBondContact CA-O 3.08Å; I1751-Q1834 HydrophobicContact CG1-CB 4.18Å; I1751-Q1834 HydrophobicContact CG2-CB 4.44Å; W1752-Q1834 PolarHBondContact N-O 2.97Å; W1752-Q1834 VanDerWaalsContact N-O 3.1Å; Q1834-V1857 CarbonylContact C-O 3.52Å; Q1834-V1857 WeakPolarHBondContact CA-O 3.43Å; Q1834-V1857 HydrophobicContact CG-CB 4.31Å
1835I92.2Very high85.1Confident0 Ų052.9 Ų52.90%027%0.274CS..EExtended strand (participates in β ladder)trans-117.3120.5172.1-65.2176.6000108.4V1754 V1819 I1823 P1832 V1837 L1846 L1850 I1856 V1857 I1858 K1859V1754-I1835 HydrophobicContact CG2-CG2 3.72Å; V1819-I1835 HydrophobicContact CG1-CD1 4.34Å; I1823-I1835 HydrophobicContact CD1-CD1 3.67Å; P1832-I1835 HydrophobicContact CB-CG1 4.15Å; P1832-I1835 HydrophobicContact CG-CD1 4.1Å; P1832-I1835 HydrophobicContact CG-CG1 4.01Å; I1835-V1837 HydrophobicContact CG2-CG2 4.21Å; I1835-L1846 HydrophobicContact CG2-CD1 4.33Å; I1835-L1850 HydrophobicContact CD1-CD1 3.67Å; I1835-I1856 HydrophobicContact CB-CG2 4.45Å; I1835-I1856 HydrophobicContact CD1-CG2 3.68Å; I1835-I1856 HydrophobicContact CG1-CG2 3.76Å; I1835-V1857 PolarHBondContact N-O 3.36Å; I1835-I1858 WeakPolarHBondContact O-CA 3.39Å; I1835-K1859 PolarHBondContact O-N 3.38Å
1836I91.6Very high85Confident1 Ų148.8 Ų48.81%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-105.7124.1179.8-55.7179.3000109.2L1737 L1745 I1751 W1752 F1753 V1754 K1859L1737-I1836 HydrophobicContact CB-CG2 4.35Å; L1737-I1836 HydrophobicContact CD1-CD1 4.33Å; L1737-I1836 HydrophobicContact CD2-CD1 4.11Å; L1737-I1836 HydrophobicContact CD2-CG2 4.07Å; L1745-I1836 HydrophobicContact CD2-CD1 3.29Å; I1751-I1836 HydrophobicContact CG2-CD1 3.77Å; I1751-I1836 HydrophobicContact CG2-CG1 4.12Å; W1752-I1836 PolarHBondContact O-N 3.2Å; F1753-I1836 CarbonylContact C-O 3.56Å; F1753-I1836 WeakPolarHBondContact CA-O 3.15Å; F1753-I1836 HydrophobicContact CD1-CB 3.91Å; F1753-I1836 HydrophobicContact CD1-CG2 3.85Å; F1753-I1836 HydrophobicContact CE1-CB 3.89Å; F1753-I1836 HydrophobicContact CE1-CD1 4.33Å; F1753-I1836 HydrophobicContact CE1-CG2 3.52Å; F1753-I1836 HydrophobicContact CZ-CD1 4.27Å; F1753-I1836 HydrophobicContact CZ-CG2 4.42Å; V1754-I1836 PolarHBondContact N-O 2.8Å; I1836-K1859 WeakPolarHBondContact CA-O 3.42Å; I1836-K1859 HydrophobicContact CG1-CB 4.42Å
1837V91.4Very high84.6Confident0 Ų049.6 Ų49.60%025%0.248CC..EExtended strand (participates in β ladder)trans-107.4127.9-172.4-173.30000109.8I1835 R1839 M1842 L1843 L1846 I1858 K1859 S1861I1835-V1837 HydrophobicContact CG2-CG2 4.21Å; V1837-R1839 VanDerWaalsContact C-N 3.28Å; V1837-R1839 WeakPolarHBondContact CG1-O 3.31Å; V1837-R1839 PolarHBondContact O-N 3.23Å; V1837-M1842 HydrophobicContact CG1-CB 3.3Å; V1837-M1842 HydrophobicContact CG1-CG 4.32Å; V1837-L1843 HydrophobicContact CB-CD2 4.12Å; V1837-L1843 HydrophobicContact CG2-CD2 4.03Å; V1837-L1846 HydrophobicContact CG2-CD1 3.54Å; V1837-I1858 HydrophobicContact CG2-CG2 4.09Å; V1837-K1859 PolarHBondContact N-O 3.34Å; V1837-S1861 PolarHBondContact O-N 3.11Å; V1837-S1861 VanDerWaalsContact O-N 3.08Å
1838T87.5Confident83.9Confident35 Ų3546.8 Ų46.822%0.21523%0.23CC..SBendtrans-67.9-27.6179.560.20000113V1754 D1755 F1867V1754-T1838 PolarHBondContact O-N 3.46Å; V1754-T1838 PolarHBondContact O-OG1 2.93Å; D1755-T1838 HydrophobicContact CB-CG2 4.02Å; D1755-T1838 PolarHBondContact OD1-OG1 2.9Å; T1838-F1867 HydrophobicContact CG2-CD2 3.93Å; T1838-F1867 HydrophobicContact CG2-CE2 4.29Å
1839R84Confident83.9Confident129 Ų12943.8 Ų43.849%0.48721%0.209SC..SBendtrans-125.2127-178.1-59.3-177.187.7-174.68.3112.1D1756 V1837 G1841 M1842D1756-R1839 WeakPolarHBondContact OD1-CD 3.34Å; V1837-R1839 VanDerWaalsContact C-N 3.28Å; V1837-R1839 WeakPolarHBondContact CG1-O 3.31Å; V1837-R1839 PolarHBondContact O-N 3.23Å; R1839-G1841 PolarHBondContact O-N 3.09Å; R1839-M1842 PolarHBondContact O-N 3.47Å
1840K80.5Confident84Confident138 Ų13836.9 Ų36.960%0.618%0.177SC*.G310 helixtrans-50.7-29.4176.3-59.5-173.6-177.7-1730114.3M1842 L1843K1840-M1842 PolarHBondContact O-N 3.49Å; K1840-M1842 VanDerWaalsContact O-N 3.14Å; K1840-L1843 HydrophobicContact CB-CD1 4.42Å; K1840-L1843 WeakPolarHBondContact O-CB 3.46Å; K1840-L1843 PolarHBondContact O-N 3.23Å
1841G80.8Confident83.4Confident29 Ų2932.8 Ų32.830%0.29916%0.159SC..G310 helixtrans-66.6-10.9-179.200000115.7K1812 R1839K1812-G1841 WeakPolarHBondContact CD-O 3.49Å; R1839-G1841 PolarHBondContact O-N 3.09Å
1842M84.9Confident82.7Confident0 Ų036.3 Ų36.30%018%0.179CC..G310 helixtrans-99.1-9.2178.1-87-63.3-61.900113.1D1756 K1812 T1815 A1816 V1837 R1839 K1840 P1845 L1846D1756-M1842 HydrophobicContact CB-CG 3.86Å; D1756-M1842 HydrophobicContact CB-SD 4.19Å; D1756-M1842 VanDerWaalsContact CG-CG 3.46Å; D1756-M1842 WeakPolarHBondContact OD2-CG 3.29Å; K1812-M1842 HydrophobicContact CB-SD 3.79Å; K1812-M1842 HydrophobicContact CG-SD 4.24Å; K1812-M1842 VanDerWaalsContact O-SD 3.36Å; T1815-M1842 HydrophobicContact CG2-CE 3.41Å; T1815-M1842 VanDerWaalsContact CG2-CE 3.41Å; T1815-M1842 HydrophobicContact CG2-SD 4.07Å; A1816-M1842 HydrophobicContact CB-CE 4.28Å; V1837-M1842 HydrophobicContact CG1-CB 3.3Å; V1837-M1842 HydrophobicContact CG1-CG 4.32Å; R1839-M1842 PolarHBondContact O-N 3.47Å; K1840-M1842 PolarHBondContact O-N 3.49Å; K1840-M1842 VanDerWaalsContact O-N 3.14Å; M1842-P1845 WeakPolarHBondContact O-CD 3.33Å; M1842-L1846 HydrophobicContact CE-CD1 3.96Å; M1842-L1846 HydrophobicContact CE-CD2 4.3Å; M1842-L1846 HydrophobicContact CE-CG 3.89Å; M1842-L1846 WeakPolarHBondContact O-CB 3.33Å; M1842-L1846 WeakPolarHBondContact O-CD1 3.26Å; M1842-L1846 VanDerWaalsContact O-CG 3.32Å; M1842-L1846 WeakPolarHBondContact O-CG 3.22Å; M1842-L1846 PolarHBondContact O-N 3.11Å
1843L81.8Confident82.1Confident18 Ų1837.7 Ų37.79%0.09418%0.184CC..Hα-helixtrans-61.9-60.6175.7-62.3174.9000111V1837 K1840 L1846 E1847 I1858V1837-L1843 HydrophobicContact CB-CD2 4.12Å; V1837-L1843 HydrophobicContact CG2-CD2 4.03Å; K1840-L1843 HydrophobicContact CB-CD1 4.42Å; K1840-L1843 WeakPolarHBondContact O-CB 3.46Å; K1840-L1843 PolarHBondContact O-N 3.23Å; L1843-L1846 PolarHBondContact O-N 3.37Å; L1843-L1846 VanDerWaalsContact O-N 3.11Å; L1843-E1847 WeakPolarHBondContact O-CG 3.46Å; L1843-E1847 PolarHBondContact O-N 2.96Å; L1843-I1858 HydrophobicContact CD2-CG2 3.68Å
1844D72.9Confident81.2Confident64 Ų6436 Ų3634%0.34218%0.183SC..Hα-helixtrans-54.7-44.6-178-42.5-8.4000113.7K1723 V1848K1723-D1844 IonicContact NZ-OD1 2.81Å; K1723-D1844 PolarHBondContact NZ-OD1 3.22Å; K1723-D1844 IonicContact NZ-OD2 2.8Å; K1723-D1844 PolarHBondContact NZ-OD2 3.03Å; D1844-V1848 VanDerWaalsContact O-CG2 3.27Å; D1844-V1848 WeakPolarHBondContact O-CG2 3.31Å; D1844-V1848 PolarHBondContact O-N 3.4Å
1845P82.1Confident80.6Confident4 Ų440.9 Ų40.93%0.02621%0.21CC..Hα-helixtrans-65.9-40178.2-24.337.2000113.5K1812 A1816 M1842 V1848 H1849K1812-P1845 HydrophobicContact CB-CG 4.06Å; A1816-P1845 HydrophobicContact CB-CB 3.72Å; M1842-P1845 WeakPolarHBondContact O-CD 3.33Å; P1845-V1848 PolarHBondContact O-N 3.41Å; P1845-H1849 PolarHBondContact O-CD2 3.17Å; P1845-H1849 PolarHBondContact O-N 2.84Å; P1845-H1849 VanDerWaalsContact O-N 3.09Å
1846L85.3Confident80.2Confident0 Ų041.8 Ų41.80%022%0.215CC..Hα-helixtrans-66.4-43.1177.5-75.6168.6000111A1816 V1819 I1835 V1837 M1842 L1843 V1848 H1849 L1850 I1858A1816-L1846 HydrophobicContact CB-CD2 3.89Å; A1816-L1846 HydrophobicContact CB-CG 4.15Å; V1819-L1846 HydrophobicContact CB-CD2 3.98Å; V1819-L1846 HydrophobicContact CG1-CD2 3.8Å; V1819-L1846 HydrophobicContact CG2-CD2 4.49Å; I1835-L1846 HydrophobicContact CG2-CD1 4.33Å; V1837-L1846 HydrophobicContact CG2-CD1 3.54Å; M1842-L1846 HydrophobicContact CE-CD1 3.96Å; M1842-L1846 HydrophobicContact CE-CD2 4.3Å; M1842-L1846 HydrophobicContact CE-CG 3.89Å; M1842-L1846 WeakPolarHBondContact O-CB 3.33Å; M1842-L1846 WeakPolarHBondContact O-CD1 3.26Å; M1842-L1846 VanDerWaalsContact O-CG 3.32Å; M1842-L1846 WeakPolarHBondContact O-CG 3.22Å; M1842-L1846 PolarHBondContact O-N 3.11Å; L1843-L1846 PolarHBondContact O-N 3.37Å; L1843-L1846 VanDerWaalsContact O-N 3.11Å; L1846-V1848 PolarHBondContact O-N 2.95Å; L1846-H1849 PolarHBondContact O-N 3.38Å; L1846-H1849 VanDerWaalsContact O-N 3.13Å; L1846-L1850 HydrophobicContact CB-CD1 4.24Å; L1846-L1850 HydrophobicContact CD2-CD1 4.16Å; L1846-L1850 VanDerWaalsContact O-CB 3.28Å; L1846-L1850 WeakPolarHBondContact O-CB 3.32Å; L1846-L1850 WeakPolarHBondContact O-CG 3.3Å; L1846-L1850 PolarHBondContact O-N 3.38Å; L1846-I1858 HydrophobicContact CB-CD1 3.99Å; L1846-I1858 HydrophobicContact CB-CG2 4.45Å
1847E77Confident79.9Confident40 Ų4044.2 Ų44.219%0.18723%0.23CC..Hα-helixtrans-55.4-37.5173.9-73.1174.6-169.700112.2L1843 L1851 I1858L1843-E1847 WeakPolarHBondContact O-CG 3.46Å; L1843-E1847 PolarHBondContact O-N 2.96Å; E1847-L1851 WeakPolarHBondContact O-CD2 3.27Å; E1847-L1851 WeakPolarHBondContact O-CG 3.37Å; E1847-I1858 HydrophobicContact CB-CD1 4.37Å; E1847-I1858 HydrophobicContact CG-CD1 3.86Å
1848V72.3Confident79.6Confident8 Ų845.6 Ų45.65%0.04824%0.237CC..Hα-helixtrans-78.5-28-179.8174.50000113.5K1558 V1716 W1813 D1844 P1845 L1846 L1851K1558-V1848 PolarHBondContact NZ-O 3.47Å; V1716-V1848 HydrophobicContact CG1-CG2 3.94Å; V1716-V1848 HydrophobicContact CG2-CG2 3.89Å; W1813-V1848 HydrophobicContact CH2-CB 4.26Å; W1813-V1848 HydrophobicContact CH2-CG1 3.85Å; W1813-V1848 HydrophobicContact CH2-CG2 4.38Å; W1813-V1848 HydrophobicContact CZ3-CB 4.38Å; W1813-V1848 HydrophobicContact CZ3-CG1 3.79Å; D1844-V1848 VanDerWaalsContact O-CG2 3.27Å; D1844-V1848 WeakPolarHBondContact O-CG2 3.31Å; D1844-V1848 PolarHBondContact O-N 3.4Å; P1845-V1848 PolarHBondContact O-N 3.41Å; L1846-V1848 PolarHBondContact O-N 2.95Å; V1848-L1851 WeakPolarHBondContact O-CD1 3.28Å; V1848-L1851 WeakPolarHBondContact O-CG 3.4Å
1849H78.9Confident79.5Confident37 Ų3745 Ų4517%0.17123%0.232CC..Hα-helixtrans-93.8-24.7-178.3-85.3-82.3000113.3W1813 A1816 A1820 P1845 L1846 L1851W1813-H1849 AromaticContact CE3-CD2 3.94Å; W1813-H1849 AromaticContact CE3-NE2 3.36Å; W1813-H1849 AromaticContact CZ3-NE2 3.81Å; A1816-H1849 HydrophobicContact CB-CB 4.22Å; A1820-H1849 HydrophobicContact CB-CB 4.18Å; P1845-H1849 PolarHBondContact O-CD2 3.17Å; P1845-H1849 PolarHBondContact O-N 2.84Å; P1845-H1849 VanDerWaalsContact O-N 3.09Å; L1846-H1849 PolarHBondContact O-N 3.38Å; L1846-H1849 VanDerWaalsContact O-N 3.13Å; H1849-L1851 VanDerWaalsContact C-N 3.34Å
1850L82.6Confident79.5Confident8 Ų839 Ų394%0.04221%0.21CC..  trans-94.415.9177.8-59.2178.4000113A1820 I1823 I1835 L1846 D1852 F1853 I1856 I1858A1820-L1850 HydrophobicContact CB-CD2 3.88Å; I1823-L1850 HydrophobicContact CD1-CD1 4.45Å; I1823-L1850 HydrophobicContact CD1-CD2 3.53Å; I1835-L1850 HydrophobicContact CD1-CD1 3.67Å; L1846-L1850 HydrophobicContact CB-CD1 4.24Å; L1846-L1850 HydrophobicContact CD2-CD1 4.16Å; L1846-L1850 VanDerWaalsContact O-CB 3.28Å; L1846-L1850 WeakPolarHBondContact O-CB 3.32Å; L1846-L1850 WeakPolarHBondContact O-CG 3.3Å; L1846-L1850 PolarHBondContact O-N 3.38Å; L1850-D1852 PolarHBondContact O-N 2.99Å; L1850-F1853 HydrophobicContact CD2-CD2 4.02Å; L1850-F1853 CarbonylContact O-C 3.52Å; L1850-F1853 PolarHBondContact O-N 2.8Å; L1850-I1856 HydrophobicContact CD1-CG2 4.46Å; L1850-I1858 HydrophobicContact CB-CD1 4.5Å; L1850-I1858 HydrophobicContact CD1-CD1 3.93Å; L1850-I1858 HydrophobicContact CD1-CG1 4.19Å
1851L70.7Confident79.7Confident22 Ų2233.2 Ų33.212%0.11519%0.186CC..THydrogen-bonded Turntrans-57.3-28.1172.7-61.3175.2000112.4K1558 P1712 A1713 E1847 V1848 H1849 F1853K1558-L1851 HydrophobicContact CD-CD1 3.98Å; P1712-L1851 HydrophobicContact CB-CD2 3.29Å; A1713-L1851 HydrophobicContact CB-CD1 4.44Å; A1713-L1851 HydrophobicContact CB-CD2 4.47Å; E1847-L1851 WeakPolarHBondContact O-CD2 3.27Å; E1847-L1851 WeakPolarHBondContact O-CG 3.37Å; V1848-L1851 WeakPolarHBondContact O-CD1 3.28Å; V1848-L1851 WeakPolarHBondContact O-CG 3.4Å; H1849-L1851 VanDerWaalsContact C-N 3.34Å; L1851-F1853 PolarHBondContact O-N 3.07Å
1852D72.6Confident79.6Confident109 Ų10937.3 Ų37.358%0.58320%0.198SC*.THydrogen-bonded Turntrans-73-13.7177-54.3-30.9000112.4R1824 L1850 P1854R1824-D1852 IonicContact CZ-OD2 3.9Å; R1824-D1852 IonicContact NH1-OD2 3.98Å; R1824-D1852 PolarHBondContact NH1-OD2 3.46Å; L1850-D1852 PolarHBondContact O-N 2.99Å; D1852-P1854 WeakPolarHBondContact O-CD 3.31Å
1853F78.1Confident79.4Confident30 Ų3037.5 Ų37.513%0.13220%0.199CC..  trans-124.972.5-175.3-59.6-76000111.3I1823 R1824 L1850 L1851 N1855 I1856I1823-F1853 HydrophobicContact CB-CE2 4.26Å; I1823-F1853 HydrophobicContact CB-CZ 4.35Å; I1823-F1853 HydrophobicContact CG2-CD1 4.08Å; I1823-F1853 HydrophobicContact CG2-CD2 4.07Å; I1823-F1853 HydrophobicContact CG2-CE1 3.81Å; I1823-F1853 HydrophobicContact CG2-CE2 3.79Å; I1823-F1853 HydrophobicContact CG2-CG 4.2Å; I1823-F1853 HydrophobicContact CG2-CZ 3.65Å; R1824-F1853 HydrophobicContact CB-CZ 4.45Å; R1824-F1853 HydrophobicContact CG-CE2 3.99Å; R1824-F1853 HydrophobicContact CG-CZ 3.58Å; L1850-F1853 HydrophobicContact CD2-CD2 4.02Å; L1850-F1853 CarbonylContact O-C 3.52Å; L1850-F1853 PolarHBondContact O-N 2.8Å; L1851-F1853 PolarHBondContact O-N 3.07Å; F1853-N1855 PolarHBondContact O-N 2.81Å; F1853-I1856 HydrophobicContact CB-CD1 3.5Å; F1853-I1856 HydrophobicContact CB-CG1 3.8Å; F1853-I1856 HydrophobicContact CD1-CD1 4.44Å; F1853-I1856 HydrophobicContact CG-CD1 3.95Å; F1853-I1856 PolarHBondContact O-N 3.49Å
1854P68Low79.4Confident64 Ų6443 Ų4342%0.41622%0.224SC..THydrogen-bonded Turntrans-64.5-16.2-173.526.7-35.6000114.1D1852 I1856D1852-P1854 WeakPolarHBondContact O-CD 3.31Å; P1854-I1856 VanDerWaalsContact C-N 3.33Å
1855N77.7Confident79.9Confident123 Ų12340.8 Ų40.866%0.65821%0.212SC*.THydrogen-bonded Turntrans-84.2-3.3-178.2-62.5-29.4000114F1853F1853-N1855 PolarHBondContact O-N 2.81Å
1856I84.6Confident80.2Confident18 Ų1840.7 Ų40.79%0.09221%0.211CC..  trans-97.5115.8-176.2-53.9-174.3000109.8I1823 P1832 I1835 L1850 F1853 P1854I1823-I1856 HydrophobicContact CD1-CD1 4.1Å; I1823-I1856 HydrophobicContact CG2-CD1 3.9Å; P1832-I1856 HydrophobicContact CG-CD1 4.36Å; P1832-I1856 WeakPolarHBondContact O-CG1 3.39Å; I1835-I1856 HydrophobicContact CB-CG2 4.45Å; I1835-I1856 HydrophobicContact CD1-CG2 3.68Å; I1835-I1856 HydrophobicContact CG1-CG2 3.76Å; L1850-I1856 HydrophobicContact CD1-CG2 4.46Å; F1853-I1856 HydrophobicContact CB-CD1 3.5Å; F1853-I1856 HydrophobicContact CB-CG1 3.8Å; F1853-I1856 HydrophobicContact CD1-CD1 4.44Å; F1853-I1856 HydrophobicContact CG-CD1 3.95Å; F1853-I1856 PolarHBondContact O-N 3.49Å; P1854-I1856 VanDerWaalsContact C-N 3.33Å
1857V83.8Confident80.5Confident53 Ų5340.7 Ų40.732%0.32121%0.211SC..EExtended strand (participates in β ladder)trans-82.7129.9176.2-176.50000110E1734 K1833 Q1834 I1835 K1859E1734-V1857 VanDerWaalsContact OE1-CG1 3.28Å; E1734-V1857 WeakPolarHBondContact OE1-CG1 3.4Å; K1833-V1857 PolarHBondContact O-N 2.82Å; Q1834-V1857 CarbonylContact C-O 3.52Å; Q1834-V1857 WeakPolarHBondContact CA-O 3.43Å; Q1834-V1857 HydrophobicContact CG-CB 4.31Å; I1835-V1857 PolarHBondContact N-O 3.36Å; V1857-K1859 HydrophobicContact CG1-CG 4.12Å
1858I85.3Confident81Confident29 Ų2942.6 Ų42.615%0.14922%0.22CC..EExtended strand (participates in β ladder)trans-107109.1-180-53.1168.4000108.9I1835 V1837 L1843 L1846 E1847 L1850I1835-I1858 WeakPolarHBondContact O-CA 3.39Å; V1837-I1858 HydrophobicContact CG2-CG2 4.09Å; L1843-I1858 HydrophobicContact CD2-CG2 3.68Å; L1846-I1858 HydrophobicContact CB-CD1 3.99Å; L1846-I1858 HydrophobicContact CB-CG2 4.45Å; E1847-I1858 HydrophobicContact CB-CD1 4.37Å; E1847-I1858 HydrophobicContact CG-CD1 3.86Å; L1850-I1858 HydrophobicContact CB-CD1 4.5Å; L1850-I1858 HydrophobicContact CD1-CD1 3.93Å; L1850-I1858 HydrophobicContact CD1-CG1 4.19Å
1859K84.7Confident81.7Confident23 Ų2342.3 Ų42.310%0.122%0.219CC..EExtended strand (participates in β ladder)trans-108.3147.3179.1-72.9-177.8179.5170.80111.9E1744 I1835 I1836 V1837 V1857E1744-K1859 IonicContact OE2-NZ 3.18Å; E1744-K1859 PolarHBondContact OE2-NZ 3Å; I1835-K1859 PolarHBondContact O-N 3.38Å; I1836-K1859 WeakPolarHBondContact CA-O 3.42Å; I1836-K1859 HydrophobicContact CG1-CB 4.42Å; V1837-K1859 PolarHBondContact N-O 3.34Å; V1857-K1859 HydrophobicContact CG1-CG 4.12Å
1860G85.9Confident82.2Confident3 Ų340.5 Ų40.53%0.03121%0.21CC..EExtended strand (participates in β ladder)trans-85153.6165.600000111.7Y1736 L1737Y1736-G1860 WeakPolarHBondContact CB-O 3.46Å; L1737-G1860 PolarHBondContact N-O 3.42Å
1861S83.1Confident82.3Confident15 Ų1541 Ų4111%0.10521%0.213CC..BIsolated β-bridgetrans-99.7128.6169.4-168.30000111.3V1837 L1863V1837-S1861 PolarHBondContact O-N 3.11Å; V1837-S1861 VanDerWaalsContact O-N 3.08Å; S1861-L1863 PolarHBondContact OG-N 3.32Å; S1861-L1863 PolarHBondContact OG-O 3.48Å
1862E78.6Confident83Confident116 Ų11646.6 Ų46.654%0.54224%0.236SC..SBendtrans-83.6-32.9165.3-171.8165.9-152.800110.8L1737 Q1864L1737-E1862 WeakPolarHBondContact O-CB 3.03Å; L1737-E1862 PolarHBondContact O-N 3.1Å; E1862-Q1864 PolarHBondContact O-N 2.85Å
1863L81.2Confident83.7Confident4 Ų442.3 Ų42.32%0.02121%0.214CC..SBendtrans-66.2124.7172.1-58.2176.1000110.6L1737 Y1742 S1861 L1865 L1986 M1988L1737-L1863 HydrophobicContact CD2-CD1 4.41Å; L1737-L1863 HydrophobicContact CG-CD1 4.4Å; Y1742-L1863 HydrophobicContact CD2-CD1 3.87Å; Y1742-L1863 HydrophobicContact CE2-CD1 4.44Å; S1861-L1863 PolarHBondContact OG-N 3.32Å; S1861-L1863 PolarHBondContact OG-O 3.48Å; L1863-L1865 PolarHBondContact O-N 2.79Å; L1863-L1986 HydrophobicContact CD2-CB 4.14Å; L1863-M1988 HydrophobicContact CD2-CB 4.21Å
1864Q81.3Confident84.1Confident132 Ų13246.4 Ų46.462%0.61723%0.234SC*.  trans-86.193.4175.1-63.5-174.914.300110.1E1862 R1915 G1987E1862-Q1864 PolarHBondContact O-N 2.85Å; Q1864-R1915 VanDerWaalsContact O-CZ 3.29Å; Q1864-R1915 PolarHBondContact O-NH1 2.9Å; Q1864-R1915 PolarHBondContact O-NH2 3.24Å; Q1864-G1987 PolarHBondContact N-O 3.06Å
1865L84.9Confident85Confident19 Ų1947.2 Ų47.210%0.09923%0.231CC..  trans-82.7142.3179.5-60.4175.4000112.2F1753 L1863 F1867 F1907 I1911F1753-L1865 HydrophobicContact CD1-CD1 4.09Å; F1753-L1865 HydrophobicContact CE1-CD1 3.5Å; F1753-L1865 VanDerWaalsContact CE1-CD1 3.5Å; F1753-L1865 HydrophobicContact CE2-CD1 4.35Å; F1753-L1865 HydrophobicContact CZ-CD1 3.65Å; L1863-L1865 PolarHBondContact O-N 2.79Å; L1865-F1867 VanDerWaalsContact C-N 3.3Å; L1865-F1867 HydrophobicContact CB-CD2 4.05Å; L1865-F1867 HydrophobicContact CB-CE2 3.7Å; L1865-F1867 HydrophobicContact CB-CZ 3.97Å; L1865-F1867 HydrophobicContact CD1-CE2 3.7Å; L1865-F1867 HydrophobicContact CD1-CZ 3.67Å; L1865-F1867 HydrophobicContact CG-CE2 4.37Å; L1865-F1867 HydrophobicContact CG-CZ 4.46Å; L1865-F1867 PolarHBondContact O-N 2.85Å; L1865-F1867 VanDerWaalsContact O-N 3.1Å; L1865-F1907 HydrophobicContact CD1-CZ 4.29Å; L1865-I1911 HydrophobicContact CD2-CD1 3.97Å
1866P88.4Confident85.6Confident1 Ų141.4 Ų41.41%0.00620%0.199CC..  trans-86.337.3-169.431.2-26.7000114.4Q1868 A1869 L1914 R1915 H1918P1866-Q1868 PolarHBondContact O-N 2.55Å; P1866-Q1868 VanDerWaalsContact O-N 3.16Å; P1866-A1869 VanDerWaalsContact O-CB 3.31Å; P1866-A1869 WeakPolarHBondContact O-CB 3.38Å; P1866-A1869 PolarHBondContact O-N 2.85Å; P1866-L1914 HydrophobicContact CB-CB 4.23Å; P1866-L1914 HydrophobicContact CG-CB 3.67Å; P1866-R1915 VanDerWaalsContact CD-CZ 3.47Å; P1866-R1915 HydrophobicContact CG-CB 4.24Å; P1866-R1915 VanDerWaalsContact CG-NH2 3.3Å; P1866-R1915 VanDerWaalsContact N-NH2 3.13Å; P1866-H1918 HydrophobicContact CB-CB 4.14Å
1867F90.3Very high85.7Confident0 Ų041.3 Ų41.30%020%0.203CC..G310 helixtrans-60.5-30.4-174.8-62.6-48.2000114.2F1753 D1755 F1782 F1784 T1838 L1865 A1869 C1870 F1907 I1911 L1914F1753-F1867 HydrophobicContact CB-CE2 3.71Å; F1753-F1867 HydrophobicContact CB-CZ 4.08Å; F1753-F1867 AromaticContact CD1-CE2 3.78Å; F1753-F1867 HydrophobicContact CD1-CE2 3.78Å; F1753-F1867 HydrophobicContact CD1-CZ 4.26Å; F1753-F1867 HydrophobicContact CD2-CE2 4.31Å; F1753-F1867 HydrophobicContact CD2-CZ 4.02Å; F1753-F1867 HydrophobicContact CE1-CE2 4.48Å; F1753-F1867 AromaticContact CG-CE2 3.67Å; F1753-F1867 HydrophobicContact CG-CE2 3.67Å; F1753-F1867 AromaticContact CG-CZ 3.85Å; F1753-F1867 HydrophobicContact CG-CZ 3.85Å; D1755-F1867 HydrophobicContact CB-CB 4.33Å; F1782-F1867 HydrophobicContact CD1-CB 3.91Å; F1782-F1867 HydrophobicContact CD1-CG 4.14Å; F1782-F1867 HydrophobicContact CE1-CB 3.72Å; F1782-F1867 AromaticContact CE1-CD1 3.61Å; F1782-F1867 HydrophobicContact CE1-CD1 3.61Å; F1782-F1867 HydrophobicContact CE1-CD2 4.39Å; F1782-F1867 HydrophobicContact CE1-CE1 4.33Å; F1782-F1867 AromaticContact CE1-CG 3.66Å; F1782-F1867 HydrophobicContact CE1-CG 3.66Å; F1782-F1867 HydrophobicContact CZ-CB 4.24Å; F1782-F1867 HydrophobicContact CZ-CD1 4.06Å; F1782-F1867 HydrophobicContact CZ-CG 4.38Å; F1784-F1867 HydrophobicContact CD1-CE1 4.06Å; F1784-F1867 HydrophobicContact CD1-CZ 4.2Å; T1838-F1867 HydrophobicContact CG2-CD2 3.93Å; T1838-F1867 HydrophobicContact CG2-CE2 4.29Å; L1865-F1867 VanDerWaalsContact C-N 3.3Å; L1865-F1867 HydrophobicContact CB-CD2 4.05Å; L1865-F1867 HydrophobicContact CB-CE2 3.7Å; L1865-F1867 HydrophobicContact CB-CZ 3.97Å; L1865-F1867 HydrophobicContact CD1-CE2 3.7Å; L1865-F1867 HydrophobicContact CD1-CZ 3.67Å; L1865-F1867 HydrophobicContact CG-CE2 4.37Å; L1865-F1867 HydrophobicContact CG-CZ 4.46Å; L1865-F1867 PolarHBondContact O-N 2.85Å; L1865-F1867 VanDerWaalsContact O-N 3.1Å; F1867-A1869 PolarHBondContact O-N 3.2Å; F1867-A1869 VanDerWaalsContact O-N 3.11Å; F1867-C1870 WeakPolarHBondContact O-CB 3.4Å; F1867-C1870 PolarHBondContact O-N 2.73Å; F1867-F1907 HydrophobicContact CZ-CE2 4.45Å; F1867-I1911 HydrophobicContact CE1-CD1 4.35Å; F1867-L1914 HydrophobicContact CD1-CD1 4.16Å
1868Q88.3Confident85.9Confident80 Ų8042.5 Ų42.537%0.37421%0.208SC..G310 helixtrans-56.8-26.117364.3174.2-31.700114.2T1757 P1866 C1870 L1871 H1918T1757-Q1868 HydrophobicContact CG2-CB 4.3Å; P1866-Q1868 PolarHBondContact O-N 2.55Å; P1866-Q1868 VanDerWaalsContact O-N 3.16Å; Q1868-C1870 VanDerWaalsContact C-N 3.28Å; Q1868-L1871 PolarHBondContact O-N 3.4Å; Q1868-H1918 PolarHBondContact NE2-CE1 3.25Å; Q1868-H1918 VanDerWaalsContact NE2-CE1 3.26Å
1869A87.6Confident86.1Confident2 Ų243.5 Ų43.52%0.01721%0.213CC..G310 helixtrans-73.7-22.417900000112.1P1866 F1867 L1871 K1872 L1914 L1917 H1918P1866-A1869 VanDerWaalsContact O-CB 3.31Å; P1866-A1869 WeakPolarHBondContact O-CB 3.38Å; P1866-A1869 PolarHBondContact O-N 2.85Å; F1867-A1869 PolarHBondContact O-N 3.2Å; F1867-A1869 VanDerWaalsContact O-N 3.11Å; A1869-L1871 PolarHBondContact O-N 3.09Å; A1869-K1872 WeakPolarHBondContact O-CB 3.48Å; A1869-K1872 PolarHBondContact O-N 3.1Å; A1869-L1914 WeakPolarHBondContact CB-O 3.35Å; A1869-L1917 HydrophobicContact CB-CB 4.39Å; A1869-H1918 HydrophobicContact CB-CB 3.91Å
1870C88.4Confident86.4Confident0 Ų042.4 Ų42.40%021%0.208CC..G310 helixtrans-59.7-38.3175.2-1680000111F1782 F1867 Q1868 K1872 V1873 F1876 L1914F1782-C1870 HydrophobicContact CE2-CB 3.81Å; F1782-C1870 HydrophobicContact CZ-CB 4.28Å; F1867-C1870 WeakPolarHBondContact O-CB 3.4Å; F1867-C1870 PolarHBondContact O-N 2.73Å; Q1868-C1870 VanDerWaalsContact C-N 3.28Å; C1870-K1872 PolarHBondContact O-N 3.46Å; C1870-K1872 VanDerWaalsContact O-N 3.07Å; C1870-V1873 WeakPolarHBondContact O-CB 3.4Å; C1870-V1873 WeakPolarHBondContact O-CG2 3.4Å; C1870-V1873 PolarHBondContact O-N 3.44Å; C1870-V1873 VanDerWaalsContact O-N 3.11Å; C1870-F1876 WeakPolarHBondContact O-CD2 3.49Å; C1870-F1876 WeakPolarHBondContact SG-CE2 3.41Å; C1870-L1914 HydrophobicContact CB-CD2 3.84Å
1871L86Confident86.6Confident19 Ų1947.2 Ų47.210%0.09923%0.233CC..G310 helixtrans-71.4-1.5177.4-55.3-169.3000114.5N1758 A1780 L1793 Q1868 A1869 F1876 I1880N1758-L1871 HydrophobicContact CB-CD1 3.43Å; N1758-L1871 VanDerWaalsContact CB-CD1 3.43Å; N1758-L1871 WeakPolarHBondContact ND2-CD1 3.34Å; A1780-L1871 HydrophobicContact CB-CD1 4.49Å; L1793-L1871 HydrophobicContact CD1-CD2 3.95Å; Q1868-L1871 PolarHBondContact O-N 3.4Å; A1869-L1871 PolarHBondContact O-N 3.09Å; L1871-F1876 HydrophobicContact CD2-CB 4.2Å; L1871-I1880 HydrophobicContact CD1-CD1 3.99Å; L1871-I1880 HydrophobicContact CD2-CD1 3.78Å; L1871-I1880 HydrophobicContact CG-CD1 4.37Å
1872K85.2Confident86.9Confident138 Ų13854 Ų5460%0.626%0.26SS*.G310 helixtrans-86.6-13172.5-58.9-71.8-171.7157.90112.6A1869 C1870A1869-K1872 WeakPolarHBondContact O-CB 3.48Å; A1869-K1872 PolarHBondContact O-N 3.1Å; C1870-K1872 PolarHBondContact O-N 3.46Å; C1870-K1872 VanDerWaalsContact O-N 3.07Å
1873V86.3Confident87.5Confident20 Ų2048.9 Ų48.912%0.12124%0.238CC..SBendtrans-69.2130.7170.1-179.50000108.1C1870 K1875 F1876 G1877 L1917 W1942C1870-V1873 WeakPolarHBondContact O-CB 3.4Å; C1870-V1873 WeakPolarHBondContact O-CG2 3.4Å; C1870-V1873 PolarHBondContact O-N 3.44Å; C1870-V1873 VanDerWaalsContact O-N 3.11Å; V1873-K1875 HydrophobicContact CG1-CB 4.29Å; V1873-K1875 PolarHBondContact O-N 3.06Å; V1873-F1876 HydrophobicContact CB-CD2 3.98Å; V1873-F1876 HydrophobicContact CG1-CD2 4.45Å; V1873-F1876 PolarHBondContact O-N 3.15Å; V1873-G1877 PolarHBondContact O-N 3.47Å; V1873-L1917 HydrophobicContact CG2-CD1 4.42Å; V1873-W1942 HydrophobicContact CG2-CH2 4.38Å
1874E85.7Confident87.8Confident115 Ų11553.3 Ų53.354%0.53727%0.269SS..Hα-helixtrans-55-39.1-172.7-69.782.9172.900112F1876 G1877 D1878 K1925E1874-F1876 VanDerWaalsContact C-N 3.32Å; E1874-F1876 PolarHBondContact O-N 3.41Å; E1874-G1877 PolarHBondContact O-N 2.79Å; E1874-D1878 WeakPolarHBondContact O-CB 3.43Å; E1874-D1878 PolarHBondContact O-N 3.11Å; E1874-K1925 VanDerWaalsContact CD-NZ 3.28Å; E1874-K1925 IonicContact OE1-NZ 3.38Å; E1874-K1925 PolarHBondContact OE1-NZ 3.19Å; E1874-K1925 IonicContact OE2-NZ 2.7Å; E1874-K1925 PolarHBondContact OE2-NZ 3.37Å
1875K88.7Confident88.1Confident82 Ų8252.6 Ų52.636%0.35727%0.266SS..Hα-helixtrans-54.6-44.2177.5-162.6175.8-164.8172.40112.3V1873 L1879 F1891 P1938 H1940V1873-K1875 HydrophobicContact CG1-CB 4.29Å; V1873-K1875 PolarHBondContact O-N 3.06Å; K1875-L1879 WeakPolarHBondContact O-CB 3.33Å; K1875-F1891 HydrophobicContact CD-CE1 4.42Å; K1875-P1938 PolarHBondContact NZ-O 3.26Å; K1875-H1940 PolarHBondContact NZ-O 2.87Å
1876F89.7Confident88.2Confident0 Ų054.2 Ų54.20%028%0.277CS..Hα-helixtrans-81.6-41.1179.2-63.6-58.6000112.6L1791 L1793 C1870 L1871 V1873 E1874 D1878 L1879 I1880 F1891 L1893 I1941L1791-F1876 HydrophobicContact CD2-CE1 3.9Å; L1791-F1876 HydrophobicContact CD2-CZ 3.85Å; L1793-F1876 HydrophobicContact CD2-CD1 3.88Å; L1793-F1876 HydrophobicContact CD2-CE1 4.49Å; C1870-F1876 WeakPolarHBondContact O-CD2 3.49Å; C1870-F1876 WeakPolarHBondContact SG-CE2 3.41Å; L1871-F1876 HydrophobicContact CD2-CB 4.2Å; V1873-F1876 HydrophobicContact CB-CD2 3.98Å; V1873-F1876 HydrophobicContact CG1-CD2 4.45Å; V1873-F1876 PolarHBondContact O-N 3.15Å; E1874-F1876 VanDerWaalsContact C-N 3.32Å; E1874-F1876 PolarHBondContact O-N 3.41Å; F1876-D1878 PolarHBondContact O-N 3.11Å; F1876-L1879 PolarHBondContact O-N 3.4Å; F1876-I1880 WeakPolarHBondContact O-CG1 3.15Å; F1876-I1880 PolarHBondContact O-N 2.74Å; F1876-F1891 HydrophobicContact CD1-CD2 4.32Å; F1876-F1891 AromaticContact CD1-CE2 4Å; F1876-F1891 HydrophobicContact CD1-CE2 4Å; F1876-F1891 HydrophobicContact CD1-CZ 4.22Å; F1876-F1891 HydrophobicContact CE1-CB 4.32Å; F1876-F1891 AromaticContact CE1-CD1 3.92Å; F1876-F1891 HydrophobicContact CE1-CD1 3.92Å; F1876-F1891 AromaticContact CE1-CD2 3.52Å; F1876-F1891 HydrophobicContact CE1-CD2 3.52Å; F1876-F1891 HydrophobicContact CE1-CE1 4.04Å; F1876-F1891 AromaticContact CE1-CE2 3.61Å; F1876-F1891 HydrophobicContact CE1-CE2 3.61Å; F1876-F1891 AromaticContact CE1-CG 3.66Å; F1876-F1891 HydrophobicContact CE1-CG 3.66Å; F1876-F1891 AromaticContact CE1-CZ 3.88Å; F1876-F1891 HydrophobicContact CE1-CZ 3.88Å; F1876-F1891 HydrophobicContact CZ-CB 4.48Å; F1876-F1891 HydrophobicContact CZ-CD1 4.35Å; F1876-F1891 HydrophobicContact CZ-CD2 4.45Å; F1876-F1891 HydrophobicContact CZ-CG 4.19Å; F1876-L1893 HydrophobicContact CE2-CD2 4.33Å; F1876-L1893 HydrophobicContact CZ-CD2 4.04Å; F1876-I1941 HydrophobicContact CE2-CD1 4.19Å; F1876-I1941 HydrophobicContact CE2-CG2 4.4Å; F1876-I1941 HydrophobicContact CZ-CD1 3.67Å; F1876-I1941 HydrophobicContact CZ-CG1 4.45Å
1877G86.6Confident88.3Confident16 Ų1657.5 Ų57.517%0.16529%0.293CS..Hα-helixtrans-59.9-46.9-17800000112.7V1873 E1874 I1880 L1881V1873-G1877 PolarHBondContact O-N 3.47Å; E1874-G1877 PolarHBondContact O-N 2.79Å; G1877-I1880 PolarHBondContact O-N 3.45Å; G1877-L1881 WeakPolarHBondContact O-CG 3.46Å; G1877-L1881 PolarHBondContact O-N 2.71Å
1878D88.2Confident88.2Confident79 Ų7960.8 Ų60.842%0.42231%0.309SS..Hα-helixtrans-65.5-42178.9-90.821.5000112.3E1874 F1876 I1880 L1881 K1882E1874-D1878 WeakPolarHBondContact O-CB 3.43Å; E1874-D1878 PolarHBondContact O-N 3.11Å; F1876-D1878 PolarHBondContact O-N 3.11Å; D1878-I1880 VanDerWaalsContact C-N 3.33Å; D1878-I1880 PolarHBondContact O-N 2.77Å; D1878-L1881 PolarHBondContact O-N 2.95Å; D1878-K1882 HydrophobicContact CB-CD 4.47Å; D1878-K1882 VanDerWaalsContact O-CB 3.3Å; D1878-K1882 WeakPolarHBondContact O-CB 3.33Å; D1878-K1882 VanDerWaalsContact O-CG 3.31Å; D1878-K1882 WeakPolarHBondContact O-CG 3.33Å; D1878-K1882 PolarHBondContact O-N 2.88Å; D1878-K1882 IonicContact OD2-NZ 3.56Å; D1878-K1882 PolarHBondContact OD2-NZ 3.33Å
1879L90.1Very high88.3Confident50 Ų5058.5 Ų58.526%0.26230%0.3SS..Hα-helixtrans-59.2-44.4179.8-177.166.9000111.6L1793 I1795 K1875 F1876 A1883 V1889 F1891L1793-L1879 HydrophobicContact CD2-CD2 4.33Å; I1795-L1879 HydrophobicContact CD1-CG 4.1Å; K1875-L1879 WeakPolarHBondContact O-CB 3.33Å; F1876-L1879 PolarHBondContact O-N 3.4Å; L1879-A1883 WeakPolarHBondContact O-CB 3.44Å; L1879-A1883 PolarHBondContact O-N 3.33Å; L1879-V1889 HydrophobicContact CD2-CB 4.38Å; L1879-V1889 HydrophobicContact CD2-CG1 4.13Å; L1879-V1889 HydrophobicContact CD2-CG2 4.18Å; L1879-F1891 HydrophobicContact CD2-CE2 3.98Å; L1879-F1891 HydrophobicContact CD2-CZ 4.01Å
1880I90.9Very high88.4Confident0 Ų063.5 Ų63.50%033%0.326CS..Hα-helixtrans-69.2-40.3-179.4-63165.5000111.5R1761 N1778 A1780 L1793 I1795 L1871 F1876 G1877 D1878R1761-I1880 VanDerWaalsContact NH2-CG2 3.29Å; N1778-I1880 HydrophobicContact CB-CG2 4.22Å; N1778-I1880 WeakPolarHBondContact CB-O 3.09Å; N1778-I1880 PolarHBondContact ND2-O 2.81Å; N1778-I1880 VanDerWaalsContact ND2-O 3.08Å; A1780-I1880 HydrophobicContact CB-CD1 3.61Å; A1780-I1880 HydrophobicContact CB-CG1 4.02Å; L1793-I1880 HydrophobicContact CD2-CG1 4.5Å; I1795-I1880 HydrophobicContact CG1-CG1 4.36Å; L1871-I1880 HydrophobicContact CD1-CD1 3.99Å; L1871-I1880 HydrophobicContact CD2-CD1 3.78Å; L1871-I1880 HydrophobicContact CG-CD1 4.37Å; F1876-I1880 WeakPolarHBondContact O-CG1 3.15Å; F1876-I1880 PolarHBondContact O-N 2.74Å; G1877-I1880 PolarHBondContact O-N 3.45Å; D1878-I1880 VanDerWaalsContact C-N 3.33Å; D1878-I1880 PolarHBondContact O-N 2.77Å
1881L89Confident88.4Confident104 Ų10465.5 Ų65.555%0.54534%0.335SS..Hα-helixtrans-73.4-35-178.2-69.8174.4000112.5G1877 D1878G1877-L1881 WeakPolarHBondContact O-CG 3.46Å; G1877-L1881 PolarHBondContact O-N 2.71Å; D1878-L1881 PolarHBondContact O-N 2.95Å
1882K90.4Very high88.7Confident156 Ų15667.4 Ų67.468%0.67835%0.346SS*.Hα-helixtrans-83.6-14.5-178.6-67.6172.7-178.1162.40114D1878 S1884D1878-K1882 HydrophobicContact CB-CD 4.47Å; D1878-K1882 VanDerWaalsContact O-CB 3.3Å; D1878-K1882 WeakPolarHBondContact O-CB 3.33Å; D1878-K1882 VanDerWaalsContact O-CG 3.31Å; D1878-K1882 WeakPolarHBondContact O-CG 3.33Å; D1878-K1882 PolarHBondContact O-N 2.88Å; D1878-K1882 IonicContact OD2-NZ 3.56Å; D1878-K1882 PolarHBondContact OD2-NZ 3.33Å; K1882-S1884 PolarHBondContact O-N 3.03Å
1883A89.3Confident89Confident10 Ų1060.9 Ų60.98%0.08332%0.317CS..  trans-66.4129.5-179.700000113.2N1778 I1795 L1879N1778-A1883 PolarHBondContact ND2-O 3.19Å; I1795-A1883 HydrophobicContact CD1-CB 3.77Å; I1795-A1883 HydrophobicContact CG2-CB 3.81Å; L1879-A1883 WeakPolarHBondContact O-CB 3.44Å; L1879-A1883 PolarHBondContact O-N 3.33Å
1884S89.2Confident89.3Confident96 Ų9659.9 Ų59.967%0.67131%0.311SS*.SBendtrans-94.3-11.8175.850.40000113.8H1797 K1882H1797-S1884 PolarHBondContact CD2-O 3.19Å; K1882-S1884 PolarHBondContact O-N 3.03Å
1885E87.7Confident89.5Confident118 Ų11855.2 Ų55.255%0.55129%0.29SS*.SBendtrans-141.4159.5-176.165.3-177.5175.400113.3Q1887E1885-Q1887 PolarHBondContact O-N 2.7Å; E1885-Q1887 VanDerWaalsContact O-N 3.12Å
1886P86.7Confident89.4Confident52 Ų5254.6 Ų54.634%0.33829%0.29SS..  trans-74.891.2176.2-12.928.3000114K1794 I1795 H1797 V1800K1794-P1886 PolarHBondContact NZ-O 2.74Å; I1795-P1886 WeakPolarHBondContact O-CA 3.22Å; I1795-P1886 WeakPolarHBondContact O-CB 3.42Å; H1797-P1886 HydrophobicContact CB-CG 3.88Å; V1800-P1886 HydrophobicContact CG2-CG 4.38Å
1887Q89.6Confident89.5Confident70 Ų7055.1 Ų55.133%0.32729%0.292SS..  trans-109153.9-178.660.2-179.4-25.500114K1794 I1795 E1885 V1889K1794-Q1887 WeakPolarHBondContact CD-O 3.39Å; I1795-Q1887 HydrophobicContact CB-CG 4.46Å; I1795-Q1887 HydrophobicContact CD1-CG 3.95Å; I1795-Q1887 HydrophobicContact CG1-CG 4.48Å; I1795-Q1887 PolarHBondContact N-O 2.93Å; E1885-Q1887 PolarHBondContact O-N 2.7Å; E1885-Q1887 VanDerWaalsContact O-N 3.12Å; Q1887-V1889 HydrophobicContact CG-CG2 4.16Å
1888M88.6Confident89.4Confident70 Ų7058.1 Ų58.135%0.34530%0.304SS..EExtended strand (participates in β ladder)trans-98.7129.8171.8-177.961.982.900109.5F1792 K1794 L1822F1792-M1888 HydrophobicContact CB-CE 4.32Å; F1792-M1888 HydrophobicContact CB-SD 3.8Å; K1794-M1888 HydrophobicContact CB-CE 3.74Å; K1794-M1888 HydrophobicContact CB-SD 3.96Å; K1794-M1888 HydrophobicContact CD-CB 4.39Å; K1794-M1888 HydrophobicContact CD-CE 4.23Å; K1794-M1888 HydrophobicContact CG-CE 4.32Å; L1822-M1888 HydrophobicContact CD1-CE 3.94Å; L1822-M1888 HydrophobicContact CD2-CE 3.91Å; L1822-M1888 HydrophobicContact CG-CE 4.35Å
1889V89.3Confident89.3Confident31 Ų3162.2 Ų62.219%0.18832%0.318CS..EExtended strand (participates in β ladder)trans-126.5130.1-178.8-167.30000109.9L1793 L1879 Q1887 F1891L1793-V1889 PolarHBondContact N-O 3.02Å; L1793-V1889 PolarHBondContact O-N 3.49Å; L1879-V1889 HydrophobicContact CD2-CB 4.38Å; L1879-V1889 HydrophobicContact CD2-CG1 4.13Å; L1879-V1889 HydrophobicContact CD2-CG2 4.18Å; Q1887-V1889 HydrophobicContact CG-CG2 4.16Å; V1889-F1891 HydrophobicContact CB-CE2 4Å; V1889-F1891 HydrophobicContact CG1-CD2 4Å; V1889-F1891 HydrophobicContact CG1-CE2 3.32Å; V1889-F1891 HydrophobicContact CG1-CZ 3.88Å
1890L90.2Very high88.8Confident108 Ų10863.3 Ų63.357%0.56533%0.33SS*.EExtended strand (participates in β ladder)trans-94.4136.8-179.4-64.7175.2000111F1792F1792-L1890 HydrophobicContact CD1-CD2 3.24Å; F1792-L1890 HydrophobicContact CE1-CD2 3.48Å; F1792-L1890 VanDerWaalsContact CE1-CD2 3.48Å; F1792-L1890 HydrophobicContact CG-CD2 4.25Å
1891F89.6Confident88.6Confident41 Ų4164.9 Ų64.918%0.1834%0.338CS..EExtended strand (participates in β ladder)trans-140.6162.7173.3-72.1-85.1000110.5L1791 L1793 K1875 F1876 L1879 V1889 I1941L1791-F1891 HydrophobicContact CB-CB 4.13Å; L1791-F1891 HydrophobicContact CD2-CB 4.17Å; L1791-F1891 HydrophobicContact CG-CB 4.44Å; L1791-F1891 PolarHBondContact N-O 3.42Å; L1791-F1891 PolarHBondContact O-N 3.32Å; L1793-F1891 HydrophobicContact CD2-CE2 4.38Å; K1875-F1891 HydrophobicContact CD-CE1 4.42Å; F1876-F1891 HydrophobicContact CD1-CD2 4.32Å; F1876-F1891 AromaticContact CD1-CE2 4Å; F1876-F1891 HydrophobicContact CD1-CE2 4Å; F1876-F1891 HydrophobicContact CD1-CZ 4.22Å; F1876-F1891 HydrophobicContact CE1-CB 4.32Å; F1876-F1891 AromaticContact CE1-CD1 3.92Å; F1876-F1891 HydrophobicContact CE1-CD1 3.92Å; F1876-F1891 AromaticContact CE1-CD2 3.52Å; F1876-F1891 HydrophobicContact CE1-CD2 3.52Å; F1876-F1891 HydrophobicContact CE1-CE1 4.04Å; F1876-F1891 AromaticContact CE1-CE2 3.61Å; F1876-F1891 HydrophobicContact CE1-CE2 3.61Å; F1876-F1891 AromaticContact CE1-CG 3.66Å; F1876-F1891 HydrophobicContact CE1-CG 3.66Å; F1876-F1891 AromaticContact CE1-CZ 3.88Å; F1876-F1891 HydrophobicContact CE1-CZ 3.88Å; F1876-F1891 HydrophobicContact CZ-CB 4.48Å; F1876-F1891 HydrophobicContact CZ-CD1 4.35Å; F1876-F1891 HydrophobicContact CZ-CD2 4.45Å; F1876-F1891 HydrophobicContact CZ-CG 4.19Å; L1879-F1891 HydrophobicContact CD2-CE2 3.98Å; L1879-F1891 HydrophobicContact CD2-CZ 4.01Å; V1889-F1891 HydrophobicContact CB-CE2 4Å; V1889-F1891 HydrophobicContact CG1-CD2 4Å; V1889-F1891 HydrophobicContact CG1-CE2 3.32Å; V1889-F1891 HydrophobicContact CG1-CZ 3.88Å; F1891-I1941 HydrophobicContact CB-CD1 4.47Å; F1891-I1941 HydrophobicContact CD1-CD1 4.46Å
1892N91.7Very high88.5Confident60 Ų6062.9 Ų62.932%0.32133%0.333SS..EExtended strand (participates in β ladder)trans-117.9118.9167.1-177.67.4000108.7G1789 Y1894 D1895 I1941G1789-N1892 PolarHBondContact O-OD1 2.88Å; N1892-Y1894 VanDerWaalsContact C-N 3.3Å; N1892-Y1894 PolarHBondContact OD1-N 3.09Å; N1892-D1895 PolarHBondContact ND2-O 3.2Å; N1892-D1895 VanDerWaalsContact ND2-O 3.1Å; N1892-I1941 WeakPolarHBondContact O-CD1 3.3Å
1893L91.7Very high88.4Confident0 Ų057 Ų570%031%0.311CS..THydrogen-bonded Turntrans-79.4-12.5179.5-64.5-174.3000113.5F1782 F1784 G1789 L1791 F1876 L1910 I1941 W1942F1782-L1893 HydrophobicContact CZ-CD1 3.89Å; F1784-L1893 HydrophobicContact CD2-CD1 3.6Å; F1784-L1893 HydrophobicContact CD2-CG 4.24Å; F1784-L1893 HydrophobicContact CE2-CB 4Å; F1784-L1893 HydrophobicContact CE2-CD1 3.63Å; F1784-L1893 HydrophobicContact CE2-CG 4.07Å; F1784-L1893 HydrophobicContact CG-CD1 4.39Å; F1784-L1893 HydrophobicContact CZ-CD1 4.45Å; G1789-L1893 PolarHBondContact O-N 3.1Å; L1791-L1893 HydrophobicContact CB-CG 4.16Å; L1791-L1893 HydrophobicContact CD2-CD1 4.47Å; L1791-L1893 HydrophobicContact CD2-CD2 3.91Å; L1791-L1893 HydrophobicContact CD2-CG 4.29Å; F1876-L1893 HydrophobicContact CE2-CD2 4.33Å; F1876-L1893 HydrophobicContact CZ-CD2 4.04Å; L1893-L1910 HydrophobicContact CB-CD1 4.15Å; L1893-L1910 HydrophobicContact CB-CD2 4Å; L1893-L1910 HydrophobicContact CD1-CD1 4.39Å; L1893-L1910 HydrophobicContact CD1-CD2 3.85Å; L1893-I1941 HydrophobicContact CD2-CD1 3.62Å; L1893-W1942 VanDerWaalsContact O-CD1 3.29Å; L1893-W1942 PolarHBondContact O-NE1 2.89Å
1894Y91.9Very high88.2Confident0 Ų061.8 Ų61.80%033%0.328CS..THydrogen-bonded Turntrans-94.6-7.3177.6-64-19.7000113.3F1784 P1786 G1789 N1892 D1896 W1897 L1898 A1906 F1907 L1910F1784-Y1894 HydrophobicContact CZ-CE1 4.07Å; F1784-Y1894 AromaticContact CZ-CZ 3.92Å; P1786-Y1894 PolarHBondContact O-OH 3.06Å; G1789-Y1894 VanDerWaalsContact CA-CE2 3.42Å; G1789-Y1894 VanDerWaalsContact N-CE2 3.34Å; N1892-Y1894 VanDerWaalsContact C-N 3.3Å; N1892-Y1894 PolarHBondContact OD1-N 3.09Å; Y1894-D1896 PolarHBondContact O-N 3.29Å; Y1894-W1897 AromaticContact CD1-CE3 3.71Å; Y1894-W1897 HydrophobicContact CD1-CE3 3.71Å; Y1894-W1897 AromaticContact CD1-CZ3 3.8Å; Y1894-W1897 HydrophobicContact CD1-CZ3 3.8Å; Y1894-W1897 HydrophobicContact CG-CE3 4.18Å; Y1894-W1897 VanDerWaalsContact O-CB 3.28Å; Y1894-W1897 WeakPolarHBondContact O-CB 3.33Å; Y1894-W1897 VanDerWaalsContact O-CD2 3.27Å; Y1894-W1897 PolarHBondContact O-N 3.31Å; Y1894-L1898 HydrophobicContact CD2-CD1 4.19Å; Y1894-L1898 HydrophobicContact CD2-CD2 4Å; Y1894-L1898 HydrophobicContact CD2-CG 4.08Å; Y1894-L1898 HydrophobicContact CE2-CD2 4.48Å; Y1894-A1906 HydrophobicContact CD1-CB 3.99Å; Y1894-A1906 HydrophobicContact CD2-CB 3.98Å; Y1894-A1906 HydrophobicContact CE1-CB 4.02Å; Y1894-A1906 HydrophobicContact CE2-CB 4.01Å; Y1894-A1906 HydrophobicContact CG-CB 3.99Å; Y1894-F1907 WeakPolarHBondContact OH-CA 3.4Å; Y1894-F1907 WeakPolarHBondContact OH-CB 3.42Å; Y1894-F1907 WeakPolarHBondContact OH-CD2 3.18Å; Y1894-L1910 HydrophobicContact CE1-CB 4.12Å; Y1894-L1910 HydrophobicContact CE1-CD2 3.88Å
1895D89.7Confident88Confident17 Ų1759.8 Ų59.89%0.09131%0.312CS..THydrogen-bonded Turntrans45.8-112.5-175-64.7-35.7000110N1892 H1940 I1941 W1942N1892-D1895 PolarHBondContact ND2-O 3.2Å; N1892-D1895 VanDerWaalsContact ND2-O 3.1Å; D1895-H1940 HydrophobicContact CB-CB 4.23Å; D1895-H1940 VanDerWaalsContact OD1-CA 3.31Å; D1895-H1940 WeakPolarHBondContact OD1-CA 3.2Å; D1895-H1940 IonicContact OD1-CD2 3.39Å; D1895-H1940 IonicContact OD1-CG 2.71Å; D1895-I1941 PolarHBondContact OD1-N 3.46Å; D1895-I1941 VanDerWaalsContact OD1-N 3.08Å; D1895-I1941 PolarHBondContact OD2-N 3.49Å; D1895-W1942 PolarHBondContact OD2-N 3.06Å
1896D86.8Confident88.1Confident68 Ų6854.2 Ų54.236%0.36429%0.286SS..THydrogen-bonded Turntrans-101.66.4-179.2-91.7-15.5000115.5Y1894 L1898 K1899 H1940Y1894-D1896 PolarHBondContact O-N 3.29Å; D1896-L1898 VanDerWaalsContact C-N 3.31Å; D1896-L1898 PolarHBondContact O-N 3.36Å; D1896-K1899 HydrophobicContact CB-CD 4.34Å; D1896-K1899 WeakPolarHBondContact O-CB 3.49Å; D1896-K1899 PolarHBondContact O-N 3.36Å; D1896-K1899 WeakPolarHBondContact OD1-CE 3.31Å; D1896-K1899 IonicContact OD1-NZ 3.19Å; D1896-K1899 PolarHBondContact OD1-NZ 3.22Å; D1896-K1899 IonicContact OD2-NZ 2.7Å; D1896-K1899 PolarHBondContact OD2-NZ 2.62Å; D1896-H1940 IonicContact OD2-CE1 2.73Å; D1896-H1940 IonicContact OD2-NE2 2.84Å
1897W91.4Very high88.3Confident12 Ų1251.7 Ų51.75%0.04527%0.27CS..G310 helixtrans-62.1-32.6-171.9-61.5-15000114.4Y1894 K1899 S1900 I1901 A1906 R1909 L1910 I1913 W1942 W1950Y1894-W1897 AromaticContact CD1-CE3 3.71Å; Y1894-W1897 HydrophobicContact CD1-CE3 3.71Å; Y1894-W1897 AromaticContact CD1-CZ3 3.8Å; Y1894-W1897 HydrophobicContact CD1-CZ3 3.8Å; Y1894-W1897 HydrophobicContact CG-CE3 4.18Å; Y1894-W1897 VanDerWaalsContact O-CB 3.28Å; Y1894-W1897 WeakPolarHBondContact O-CB 3.33Å; Y1894-W1897 VanDerWaalsContact O-CD2 3.27Å; Y1894-W1897 PolarHBondContact O-N 3.31Å; W1897-K1899 PolarHBondContact O-N 3.45Å; W1897-S1900 PolarHBondContact O-N 3.01Å; W1897-S1900 PolarHBondContact O-OG 2.92Å; W1897-I1901 HydrophobicContact CB-CD1 3.9Å; W1897-I1901 HydrophobicContact CB-CG1 3.84Å; W1897-I1901 HydrophobicContact CG-CD1 4.4Å; W1897-I1901 WeakPolarHBondContact O-CG1 3.47Å; W1897-I1901 PolarHBondContact O-N 3.02Å; W1897-A1906 HydrophobicContact CB-CB 4.44Å; W1897-A1906 HydrophobicContact CE3-CB 4.12Å; W1897-R1909 HydrophobicContact CE3-CG 4.48Å; W1897-R1909 HydrophobicContact CH2-CG 4Å; W1897-R1909 HydrophobicContact CZ2-CG 4.34Å; W1897-R1909 HydrophobicContact CZ3-CB 4.37Å; W1897-R1909 HydrophobicContact CZ3-CG 4.06Å; W1897-L1910 HydrophobicContact CZ3-CB 4.2Å; W1897-I1913 HydrophobicContact CH2-CD1 3.71Å; W1897-I1913 HydrophobicContact CZ2-CD1 4.11Å; W1897-W1942 AromaticContact CH2-CD1 3.47Å; W1897-W1942 VanDerWaalsContact CH2-CD1 3.47Å; W1897-W1942 HydrophobicContact CH2-CG 4.09Å; W1897-W1942 AromaticContact CH2-NE1 3.63Å; W1897-W1942 HydrophobicContact CZ2-CB 4Å; W1897-W1942 AromaticContact CZ2-CD1 3.37Å; W1897-W1942 AromaticContact CZ2-CG 3.74Å; W1897-W1942 HydrophobicContact CZ2-CG 3.74Å; W1897-W1950 AromaticContact CE2-CZ2 3.8Å; W1897-W1950 AromaticContact CZ2-CH2 3.65Å; W1897-W1950 HydrophobicContact CZ2-CH2 3.65Å; W1897-W1950 AromaticContact CZ2-CZ2 3.69Å; W1897-W1950 HydrophobicContact CZ2-CZ2 3.69Å; W1897-W1950 HydrophobicContact CZ2-CZ3 4.4Å; W1897-W1950 AromaticContact NE1-CE2 3.61Å; W1897-W1950 AromaticContact NE1-CZ2 3.42Å; W1897-W1950 AromaticContact NE1-NE1 3.71Å
1898L86Confident88.2Confident78 Ų7850.5 Ų50.541%0.40827%0.269SS..G310 helixtrans-64.8-12-178.9-64.6178.2000113.6Y1894 D1896 A1906Y1894-L1898 HydrophobicContact CD2-CD1 4.19Å; Y1894-L1898 HydrophobicContact CD2-CD2 4Å; Y1894-L1898 HydrophobicContact CD2-CG 4.08Å; Y1894-L1898 HydrophobicContact CE2-CD2 4.48Å; D1896-L1898 VanDerWaalsContact C-N 3.31Å; D1896-L1898 PolarHBondContact O-N 3.36Å; L1898-A1906 HydrophobicContact CD2-CB 4.32Å
1899K85.1Confident88.3Confident165 Ų16547.6 Ų47.672%0.71725%0.254SS*.G310 helixtrans-73.2-29.1171.7-66.5171.3177.71600112.5D1896 W1897D1896-K1899 HydrophobicContact CB-CD 4.34Å; D1896-K1899 WeakPolarHBondContact O-CB 3.49Å; D1896-K1899 PolarHBondContact O-N 3.36Å; D1896-K1899 WeakPolarHBondContact OD1-CE 3.31Å; D1896-K1899 IonicContact OD1-NZ 3.19Å; D1896-K1899 PolarHBondContact OD1-NZ 3.22Å; D1896-K1899 IonicContact OD2-NZ 2.7Å; D1896-K1899 PolarHBondContact OD2-NZ 2.62Å; W1897-K1899 PolarHBondContact O-N 3.45Å
1900S80.7Confident88.4Confident73 Ų7346.1 Ų46.151%0.5125%0.245SC..THydrogen-bonded Turntrans-120.1-20.8-172.861.50000114.7W1897W1897-S1900 PolarHBondContact O-N 3.01Å; W1897-S1900 PolarHBondContact O-OG 2.92Å
1901I86.5Confident88.5Confident33 Ų3341 Ų4117%0.16922%0.218CC..SBendtrans-133.5157-179.460.9168.5000112.4W1897 T1905 A1906W1897-I1901 HydrophobicContact CB-CD1 3.9Å; W1897-I1901 HydrophobicContact CB-CG1 3.84Å; W1897-I1901 HydrophobicContact CG-CD1 4.4Å; W1897-I1901 WeakPolarHBondContact O-CG1 3.47Å; W1897-I1901 PolarHBondContact O-N 3.02Å; I1901-T1905 HydrophobicContact CB-CG2 4.42Å; I1901-T1905 HydrophobicContact CD1-CG2 4.31Å; I1901-A1906 VanDerWaalsContact CD1-CA 3.5Å; I1901-A1906 HydrophobicContact CD1-CB 3.78Å; I1901-A1906 HydrophobicContact CG1-CB 4.18Å
1902S87.6Confident88.5Confident63 Ų6339.8 Ų39.844%0.44121%0.213SC..  trans-67.5160.3174.680.40000112.4Y1904 T1905 A1906S1902-Y1904 VanDerWaalsContact C-N 3.29Å; S1902-Y1904 PolarHBondContact O-N 2.87Å; S1902-T1905 PolarHBondContact O-N 3.42Å; S1902-T1905 PolarHBondContact OG-N 3.48Å; S1902-T1905 PolarHBondContact OG-OG1 2.77Å; S1902-A1906 WeakPolarHBondContact O-CB 3.29Å; S1902-A1906 PolarHBondContact O-N 3.01Å
1903S86.7Confident88.6Confident31 Ų3137 Ų3722%0.21720%0.198CC..Hα-helixtrans-59.4-37.8174.955.40000113.1R1787 A1906 F1907R1787-S1903 WeakPolarHBondContact O-CB 3.09Å; S1903-A1906 PolarHBondContact O-N 3.37Å; S1903-F1907 WeakPolarHBondContact O-CB 2.88Å; S1903-F1907 PolarHBondContact O-N 2.98Å
1904Y85.5Confident88.6Confident111 Ų11137 Ų3744%0.43520%0.198SC..Hα-helixtrans-59.4-47.9174.7175.4-90.7000111.5Y1742 F1746 S1902 F1907 S1908Y1742-Y1904 HydrophobicContact CD1-CE2 4.19Å; Y1742-Y1904 HydrophobicContact CE1-CD2 4.41Å; Y1742-Y1904 AromaticContact CE1-CE2 3.74Å; Y1742-Y1904 HydrophobicContact CE1-CE2 3.74Å; F1746-Y1904 AromaticContact CD2-CD2 3.68Å; F1746-Y1904 HydrophobicContact CD2-CD2 3.68Å; F1746-Y1904 AromaticContact CE2-CD2 3.42Å; F1746-Y1904 HydrophobicContact CE2-CD2 3.42Å; F1746-Y1904 VanDerWaalsContact CE2-CD2 3.42Å; F1746-Y1904 HydrophobicContact CE2-CE2 4.06Å; F1746-Y1904 HydrophobicContact CE2-CG 4.38Å; F1746-Y1904 HydrophobicContact CG-CD2 4.4Å; F1746-Y1904 AromaticContact CZ-CD2 3.95Å; F1746-Y1904 HydrophobicContact CZ-CD2 3.95Å; S1902-Y1904 VanDerWaalsContact C-N 3.29Å; S1902-Y1904 PolarHBondContact O-N 2.87Å; Y1904-F1907 PolarHBondContact O-N 3.21Å; Y1904-S1908 PolarHBondContact O-N 2.92Å; Y1904-S1908 VanDerWaalsContact O-N 3.09Å
1905T85.7Confident88.5Confident55 Ų5538 Ų3834%0.33720%0.202SC..Hα-helixtrans-69-40.6-180-430000111.4I1901 S1902 F1907 S1908 R1909I1901-T1905 HydrophobicContact CB-CG2 4.42Å; I1901-T1905 HydrophobicContact CD1-CG2 4.31Å; S1902-T1905 PolarHBondContact O-N 3.42Å; S1902-T1905 PolarHBondContact OG-N 3.48Å; S1902-T1905 PolarHBondContact OG-OG1 2.77Å; T1905-F1907 VanDerWaalsContact C-N 3.34Å; T1905-F1907 PolarHBondContact O-N 2.87Å; T1905-S1908 WeakPolarHBondContact O-CB 3.46Å; T1905-S1908 PolarHBondContact O-N 2.75Å; T1905-R1909 PolarHBondContact O-N 3.35Å
1906A89.7Confident88.6Confident0 Ų037.2 Ų37.20%020%0.198CC..Hα-helixtrans-61.4-42.317700000112Y1894 W1897 L1898 I1901 S1902 S1903 R1909 L1910Y1894-A1906 HydrophobicContact CD1-CB 3.99Å; Y1894-A1906 HydrophobicContact CD2-CB 3.98Å; Y1894-A1906 HydrophobicContact CE1-CB 4.02Å; Y1894-A1906 HydrophobicContact CE2-CB 4.01Å; Y1894-A1906 HydrophobicContact CG-CB 3.99Å; W1897-A1906 HydrophobicContact CB-CB 4.44Å; W1897-A1906 HydrophobicContact CE3-CB 4.12Å; L1898-A1906 HydrophobicContact CD2-CB 4.32Å; I1901-A1906 VanDerWaalsContact CD1-CA 3.5Å; I1901-A1906 HydrophobicContact CD1-CB 3.78Å; I1901-A1906 HydrophobicContact CG1-CB 4.18Å; S1902-A1906 WeakPolarHBondContact O-CB 3.29Å; S1902-A1906 PolarHBondContact O-N 3.01Å; S1903-A1906 PolarHBondContact O-N 3.37Å; A1906-R1909 PolarHBondContact O-N 2.82Å; A1906-L1910 WeakPolarHBondContact O-CB 3.27Å; A1906-L1910 PolarHBondContact O-N 3.26Å
1907F90.1Very high88.8Confident0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-64.5-43.4174.7-172.7-112.7000111.8Y1742 L1745 F1746 F1753 F1784 P1786 L1865 F1867 Y1894 S1903 Y1904 T1905 R1909 L1910 I1911Y1742-F1907 HydrophobicContact CE2-CD1 4.47Å; Y1742-F1907 AromaticContact CE2-CE1 3.88Å; Y1742-F1907 HydrophobicContact CE2-CE1 3.88Å; Y1742-F1907 AromaticContact CZ-CD1 3.96Å; Y1742-F1907 AromaticContact CZ-CE1 3.83Å; Y1742-F1907 WeakPolarHBondContact OH-CD1 3.04Å; Y1742-F1907 WeakPolarHBondContact OH-CE1 3.31Å; L1745-F1907 HydrophobicContact CD1-CE1 4.44Å; F1746-F1907 HydrophobicContact CE1-CB 3.85Å; F1746-F1907 HydrophobicContact CE1-CD1 4.31Å; F1746-F1907 HydrophobicContact CE1-CG 4.24Å; F1746-F1907 HydrophobicContact CZ-CB 3.97Å; F1746-F1907 AromaticContact CZ-CD1 3.71Å; F1746-F1907 HydrophobicContact CZ-CD1 3.71Å; F1746-F1907 HydrophobicContact CZ-CG 4.09Å; F1753-F1907 HydrophobicContact CE2-CZ 4.17Å; F1784-F1907 HydrophobicContact CD1-CE2 4.3Å; F1784-F1907 AromaticContact CE1-CD2 3.66Å; F1784-F1907 HydrophobicContact CE1-CD2 3.66Å; F1784-F1907 AromaticContact CE1-CE2 3.52Å; F1784-F1907 HydrophobicContact CE1-CE2 3.52Å; F1784-F1907 HydrophobicContact CZ-CD2 4.15Å; F1784-F1907 HydrophobicContact CZ-CE2 4.4Å; P1786-F1907 HydrophobicContact CB-CD2 3.91Å; P1786-F1907 HydrophobicContact CB-CE2 4.02Å; P1786-F1907 HydrophobicContact CB-CG 4.35Å; L1865-F1907 HydrophobicContact CD1-CZ 4.29Å; F1867-F1907 HydrophobicContact CZ-CE2 4.45Å; Y1894-F1907 WeakPolarHBondContact OH-CA 3.4Å; Y1894-F1907 WeakPolarHBondContact OH-CB 3.42Å; Y1894-F1907 WeakPolarHBondContact OH-CD2 3.18Å; S1903-F1907 WeakPolarHBondContact O-CB 2.88Å; S1903-F1907 PolarHBondContact O-N 2.98Å; Y1904-F1907 PolarHBondContact O-N 3.21Å; T1905-F1907 VanDerWaalsContact C-N 3.34Å; T1905-F1907 PolarHBondContact O-N 2.87Å; F1907-R1909 PolarHBondContact O-N 2.79Å; F1907-L1910 WeakPolarHBondContact O-CB 3.38Å; F1907-L1910 PolarHBondContact O-N 3.42Å; F1907-I1911 HydrophobicContact CD1-CG1 4.22Å; F1907-I1911 HydrophobicContact CD2-CG1 4.5Å; F1907-I1911 HydrophobicContact CE1-CD1 4.34Å; F1907-I1911 HydrophobicContact CE1-CG1 3.87Å; F1907-I1911 HydrophobicContact CE2-CD1 4.01Å; F1907-I1911 HydrophobicContact CE2-CG1 4.13Å; F1907-I1911 HydrophobicContact CZ-CD1 3.81Å; F1907-I1911 HydrophobicContact CZ-CG1 3.84Å; F1907-I1911 WeakPolarHBondContact O-CG1 3.28Å; F1907-I1911 PolarHBondContact O-N 2.61Å
1908S87.5Confident88.7Confident44 Ų4438.4 Ų38.431%0.30820%0.202SC..Hα-helixtrans-60.1-44.3176.6-171.20000112.1Y1904 T1905 L1910 I1911 L1912Y1904-S1908 PolarHBondContact O-N 2.92Å; Y1904-S1908 VanDerWaalsContact O-N 3.09Å; T1905-S1908 WeakPolarHBondContact O-CB 3.46Å; T1905-S1908 PolarHBondContact O-N 2.75Å; S1908-L1910 PolarHBondContact O-N 3.14Å; S1908-I1911 PolarHBondContact O-N 3.44Å; S1908-L1912 PolarHBondContact O-N 3.18Å
1909R91.5Very high88.7Confident9 Ų936.5 Ų36.53%0.03419%0.193CC..Hα-helixtrans-58-47.5173.1176.8179.5-65.6173.91.5111.6W1897 T1905 A1906 F1907 I1911 L1912 I1913 W1950 E1954W1897-R1909 HydrophobicContact CE3-CG 4.48Å; W1897-R1909 HydrophobicContact CH2-CG 4Å; W1897-R1909 HydrophobicContact CZ2-CG 4.34Å; W1897-R1909 HydrophobicContact CZ3-CB 4.37Å; W1897-R1909 HydrophobicContact CZ3-CG 4.06Å; T1905-R1909 PolarHBondContact O-N 3.35Å; A1906-R1909 PolarHBondContact O-N 2.82Å; F1907-R1909 PolarHBondContact O-N 2.79Å; R1909-I1911 VanDerWaalsContact C-N 3.34Å; R1909-I1911 PolarHBondContact O-N 2.74Å; R1909-L1912 WeakPolarHBondContact O-CB 3.31Å; R1909-L1912 PolarHBondContact O-N 3.44Å; R1909-I1913 HydrophobicContact CG-CD1 3.94Å; R1909-I1913 VanDerWaalsContact O-CG1 3.31Å; R1909-I1913 WeakPolarHBondContact O-CG1 3.44Å; R1909-I1913 PolarHBondContact O-N 3.49Å; R1909-W1950 HydrophobicContact CG-CE3 4.26Å; R1909-W1950 HydrophobicContact CG-CZ3 4.27Å; R1909-W1950 VanDerWaalsContact NH1-CG 3.32Å; R1909-E1954 IonicContact CZ-OE1 3.74Å; R1909-E1954 IonicContact NE-OE1 2.9Å; R1909-E1954 PolarHBondContact NE-OE1 3.46Å; R1909-E1954 IonicContact NH2-OE1 3.52Å; R1909-E1954 PolarHBondContact NH2-OE1 2.8Å
1910L92.1Very high88.8Confident0 Ų031 Ų310%017%0.172CC..Hα-helixtrans-58.8-45.2176.8-179.964.9000111.6F1784 L1893 Y1894 W1897 A1906 F1907 S1908 I1913 L1914 W1942F1784-L1910 HydrophobicContact CE1-CD2 4.13Å; F1784-L1910 HydrophobicContact CE2-CD2 4.05Å; F1784-L1910 HydrophobicContact CZ-CD2 3.58Å; L1893-L1910 HydrophobicContact CB-CD1 4.15Å; L1893-L1910 HydrophobicContact CB-CD2 4Å; L1893-L1910 HydrophobicContact CD1-CD1 4.39Å; L1893-L1910 HydrophobicContact CD1-CD2 3.85Å; Y1894-L1910 HydrophobicContact CE1-CB 4.12Å; Y1894-L1910 HydrophobicContact CE1-CD2 3.88Å; W1897-L1910 HydrophobicContact CZ3-CB 4.2Å; A1906-L1910 WeakPolarHBondContact O-CB 3.27Å; A1906-L1910 PolarHBondContact O-N 3.26Å; F1907-L1910 WeakPolarHBondContact O-CB 3.38Å; F1907-L1910 PolarHBondContact O-N 3.42Å; S1908-L1910 PolarHBondContact O-N 3.14Å; L1910-I1913 PolarHBondContact O-N 3.3Å; L1910-L1914 HydrophobicContact CD1-CD1 3.95Å; L1910-L1914 HydrophobicContact CD1-CG 3.97Å; L1910-L1914 HydrophobicContact CD2-CD1 4.41Å; L1910-L1914 HydrophobicContact CG-CD1 3.85Å; L1910-L1914 HydrophobicContact CG-CG 4.23Å; L1910-L1914 WeakPolarHBondContact O-CB 3.16Å; L1910-L1914 VanDerWaalsContact O-CG 3.27Å; L1910-L1914 WeakPolarHBondContact O-CG 3.28Å; L1910-L1914 PolarHBondContact O-N 3.24Å; L1910-W1942 HydrophobicContact CD1-CZ2 3.85Å
1911I90.4Very high89.2Confident1 Ų129.6 Ų29.61%0.00516%0.159CC..Hα-helixtrans-63.7-41.6178.6-66.4-56.2000111.2L1865 F1867 F1907 S1908 R1909 I1913 L1914 R1915 I1985L1865-I1911 HydrophobicContact CD2-CD1 3.97Å; F1867-I1911 HydrophobicContact CE1-CD1 4.35Å; F1907-I1911 HydrophobicContact CD1-CG1 4.22Å; F1907-I1911 HydrophobicContact CD2-CG1 4.5Å; F1907-I1911 HydrophobicContact CE1-CD1 4.34Å; F1907-I1911 HydrophobicContact CE1-CG1 3.87Å; F1907-I1911 HydrophobicContact CE2-CD1 4.01Å; F1907-I1911 HydrophobicContact CE2-CG1 4.13Å; F1907-I1911 HydrophobicContact CZ-CD1 3.81Å; F1907-I1911 HydrophobicContact CZ-CG1 3.84Å; F1907-I1911 WeakPolarHBondContact O-CG1 3.28Å; F1907-I1911 PolarHBondContact O-N 2.61Å; S1908-I1911 PolarHBondContact O-N 3.44Å; R1909-I1911 VanDerWaalsContact C-N 3.34Å; R1909-I1911 PolarHBondContact O-N 2.74Å; I1911-I1913 PolarHBondContact O-N 3.45Å; I1911-L1914 PolarHBondContact O-N 2.92Å; I1911-R1915 WeakPolarHBondContact O-CB 3.21Å; I1911-R1915 PolarHBondContact O-N 2.96Å; I1911-I1985 HydrophobicContact CG2-CG2 4.48Å
1912L90.9Very high89.2Confident15 Ų1533.5 Ų33.58%0.07918%0.18CC..Hα-helixtrans-58-47.7173.5-79168.4000111.8S1908 R1909 R1915 A1916 E1954 K1958 I1961 I1985S1908-L1912 PolarHBondContact O-N 3.18Å; R1909-L1912 WeakPolarHBondContact O-CB 3.31Å; R1909-L1912 PolarHBondContact O-N 3.44Å; L1912-R1915 PolarHBondContact O-N 3.17Å; L1912-A1916 VanDerWaalsContact O-CB 3.3Å; L1912-A1916 WeakPolarHBondContact O-CB 3.48Å; L1912-A1916 PolarHBondContact O-N 2.79Å; L1912-E1954 HydrophobicContact CD1-CB 4.48Å; L1912-E1954 HydrophobicContact CD1-CG 4.39Å; L1912-K1958 HydrophobicContact CD2-CB 4.26Å; L1912-I1961 HydrophobicContact CD2-CD1 3.75Å; L1912-I1985 HydrophobicContact CD2-CD1 4.3Å; L1912-I1985 HydrophobicContact CD2-CG1 4.42Å; L1912-I1985 HydrophobicContact CD2-CG2 3.95Å; L1912-I1985 HydrophobicContact CG-CG2 4.41Å
1913I92.4Very high89.2Confident1 Ų136.6 Ų36.61%0.00519%0.186CC..Hα-helixtrans-61.9-51.7178.6-66.2164.4000111W1897 R1909 L1910 I1911 R1915 A1916 L1917 L1928 W1942 W1950 L1957W1897-I1913 HydrophobicContact CH2-CD1 3.71Å; W1897-I1913 HydrophobicContact CZ2-CD1 4.11Å; R1909-I1913 HydrophobicContact CG-CD1 3.94Å; R1909-I1913 VanDerWaalsContact O-CG1 3.31Å; R1909-I1913 WeakPolarHBondContact O-CG1 3.44Å; R1909-I1913 PolarHBondContact O-N 3.49Å; L1910-I1913 PolarHBondContact O-N 3.3Å; I1911-I1913 PolarHBondContact O-N 3.45Å; I1913-R1915 VanDerWaalsContact C-N 3.3Å; I1913-R1915 PolarHBondContact O-N 2.98Å; I1913-A1916 PolarHBondContact O-N 3.45Å; I1913-L1917 HydrophobicContact CG2-CD1 3.93Å; I1913-L1917 HydrophobicContact CG2-CG 4.48Å; I1913-L1917 WeakPolarHBondContact O-CB 3.49Å; I1913-L1917 WeakPolarHBondContact O-CG 3.46Å; I1913-L1917 PolarHBondContact O-N 3.25Å; I1913-L1928 HydrophobicContact CG1-CD2 4.46Å; I1913-L1928 HydrophobicContact CG2-CD1 4.14Å; I1913-W1942 HydrophobicContact CD1-CD2 4.39Å; I1913-W1942 HydrophobicContact CG2-CE3 3.96Å; I1913-W1942 HydrophobicContact CG2-CH2 3.36Å; I1913-W1942 HydrophobicContact CG2-CZ2 4Å; I1913-W1942 HydrophobicContact CG2-CZ3 3.35Å; I1913-W1950 HydrophobicContact CD1-CH2 3.98Å; I1913-W1950 HydrophobicContact CD1-CZ3 3.81Å; I1913-L1957 HydrophobicContact CG1-CD1 3.74Å
1914L91.8Very high89.3Confident0 Ų035.1 Ų35.10%018%0.175CC..Hα-helixtrans-65.5-34.9-178-68.3-179.7000111.8P1866 F1867 A1869 C1870 L1910 I1911 H1918 W1942P1866-L1914 HydrophobicContact CB-CB 4.23Å; P1866-L1914 HydrophobicContact CG-CB 3.67Å; F1867-L1914 HydrophobicContact CD1-CD1 4.16Å; A1869-L1914 WeakPolarHBondContact CB-O 3.35Å; C1870-L1914 HydrophobicContact CB-CD2 3.84Å; L1910-L1914 HydrophobicContact CD1-CD1 3.95Å; L1910-L1914 HydrophobicContact CD1-CG 3.97Å; L1910-L1914 HydrophobicContact CD2-CD1 4.41Å; L1910-L1914 HydrophobicContact CG-CD1 3.85Å; L1910-L1914 HydrophobicContact CG-CG 4.23Å; L1910-L1914 WeakPolarHBondContact O-CB 3.16Å; L1910-L1914 VanDerWaalsContact O-CG 3.27Å; L1910-L1914 WeakPolarHBondContact O-CG 3.28Å; L1910-L1914 PolarHBondContact O-N 3.24Å; I1911-L1914 PolarHBondContact O-N 2.92Å; L1914-H1918 VanDerWaalsContact O-CB 3.29Å; L1914-H1918 WeakPolarHBondContact O-CB 3.44Å; L1914-H1918 PolarHBondContact O-N 2.8Å; L1914-W1942 HydrophobicContact CD2-CH2 4.33Å; L1914-W1942 HydrophobicContact CD2-CZ2 4.48Å
1915R90.9Very high89.4Confident22 Ų2232.6 Ų32.68%0.08317%0.167CC..Hα-helixtrans-68.7-44.1175.1-168.4113-62.9172.5-11.8111.1Q1864 P1866 I1911 L1912 I1913 L1917 H1918 V1919 I1961 I1985 L1986Q1864-R1915 VanDerWaalsContact O-CZ 3.29Å; Q1864-R1915 PolarHBondContact O-NH1 2.9Å; Q1864-R1915 PolarHBondContact O-NH2 3.24Å; P1866-R1915 VanDerWaalsContact CD-CZ 3.47Å; P1866-R1915 HydrophobicContact CG-CB 4.24Å; P1866-R1915 VanDerWaalsContact CG-NH2 3.3Å; P1866-R1915 VanDerWaalsContact N-NH2 3.13Å; I1911-R1915 WeakPolarHBondContact O-CB 3.21Å; I1911-R1915 PolarHBondContact O-N 2.96Å; L1912-R1915 PolarHBondContact O-N 3.17Å; I1913-R1915 VanDerWaalsContact C-N 3.3Å; I1913-R1915 PolarHBondContact O-N 2.98Å; R1915-L1917 PolarHBondContact O-N 2.89Å; R1915-H1918 WeakPolarHBondContact O-CB 3.49Å; R1915-H1918 PolarHBondContact O-N 3.4Å; R1915-H1918 VanDerWaalsContact O-N 3.17Å; R1915-V1919 HydrophobicContact CG-CG2 4.44Å; R1915-V1919 WeakPolarHBondContact O-CB 3.46Å; R1915-V1919 VanDerWaalsContact O-CG2 3.26Å; R1915-V1919 WeakPolarHBondContact O-CG2 3.35Å; R1915-V1919 PolarHBondContact O-N 3.2Å; R1915-I1961 HydrophobicContact CB-CD1 3.77Å; R1915-I1961 HydrophobicContact CB-CG1 4.28Å; R1915-I1961 HydrophobicContact CG-CD1 3.84Å; R1915-I1961 HydrophobicContact CG-CG1 3.95Å; R1915-I1961 HydrophobicContact CG-CG2 4.1Å; R1915-I1985 VanDerWaalsContact CD-O 3.3Å; R1915-I1985 WeakPolarHBondContact CD-O 3.49Å; R1915-I1985 PolarHBondContact NH1-O 3.49Å; R1915-I1985 VanDerWaalsContact NH1-O 3.11Å; R1915-L1986 PolarHBondContact NH1-O 3.41Å
1916A90.9Very high89.5Confident0 Ų035.6 Ų35.60%018%0.179CC..Hα-helixtrans-61.3-43.1174.700000111.7L1912 I1913 H1918 V1919 N1920 A1924 L1957 L1960 I1961L1912-A1916 VanDerWaalsContact O-CB 3.3Å; L1912-A1916 WeakPolarHBondContact O-CB 3.48Å; L1912-A1916 PolarHBondContact O-N 2.79Å; I1913-A1916 PolarHBondContact O-N 3.45Å; A1916-H1918 VanDerWaalsContact C-N 3.3Å; A1916-H1918 PolarHBondContact O-N 3.1Å; A1916-V1919 PolarHBondContact O-N 2.86Å; A1916-N1920 CarbonylContact O-C 3.34Å; A1916-N1920 VanDerWaalsContact O-C 3.27Å; A1916-N1920 PolarHBondContact O-N 2.97Å; A1916-A1924 HydrophobicContact CB-CB 3.93Å; A1916-L1957 HydrophobicContact CB-CB 4.26Å; A1916-L1957 HydrophobicContact CB-CD2 3.51Å; A1916-L1957 HydrophobicContact CB-CG 4.39Å; A1916-L1960 HydrophobicContact CB-CD2 4Å; A1916-I1961 HydrophobicContact CB-CD1 4.48Å; A1916-I1961 HydrophobicContact CB-CG1 4.42Å
1917L91.2Very high89.5Confident9 Ų936.8 Ų36.85%0.04719%0.187CC..Hα-helixtrans-63.5-34.4173.7-73.4169.6000112.9A1869 V1873 I1913 R1915 N1921 A1924 K1925 W1942A1869-L1917 HydrophobicContact CB-CB 4.39Å; V1873-L1917 HydrophobicContact CG2-CD1 4.42Å; I1913-L1917 HydrophobicContact CG2-CD1 3.93Å; I1913-L1917 HydrophobicContact CG2-CG 4.48Å; I1913-L1917 WeakPolarHBondContact O-CB 3.49Å; I1913-L1917 WeakPolarHBondContact O-CG 3.46Å; I1913-L1917 PolarHBondContact O-N 3.25Å; R1915-L1917 PolarHBondContact O-N 2.89Å; L1917-N1921 WeakPolarHBondContact CD2-OD1 3.47Å; L1917-N1921 WeakPolarHBondContact O-CA 3.21Å; L1917-N1921 PolarHBondContact O-N 2.97Å; L1917-A1924 HydrophobicContact CD2-CB 3.95Å; L1917-A1924 HydrophobicContact CG-CB 4.25Å; L1917-K1925 HydrophobicContact CD2-CG 4.12Å; L1917-W1942 HydrophobicContact CD1-CH2 3.93Å; L1917-W1942 HydrophobicContact CD1-CZ3 4.07Å
1918H89.8Confident89.3Confident96 Ų9637.3 Ų37.344%0.44419%0.189SC..Hα-helixtrans-70.1-39.4176-172.560.6000112.3P1866 Q1868 A1869 L1914 R1915 A1916P1866-H1918 HydrophobicContact CB-CB 4.14Å; Q1868-H1918 PolarHBondContact NE2-CE1 3.25Å; Q1868-H1918 VanDerWaalsContact NE2-CE1 3.26Å; A1869-H1918 HydrophobicContact CB-CB 3.91Å; L1914-H1918 VanDerWaalsContact O-CB 3.29Å; L1914-H1918 WeakPolarHBondContact O-CB 3.44Å; L1914-H1918 PolarHBondContact O-N 2.8Å; R1915-H1918 WeakPolarHBondContact O-CB 3.49Å; R1915-H1918 PolarHBondContact O-N 3.4Å; R1915-H1918 VanDerWaalsContact O-N 3.17Å; A1916-H1918 VanDerWaalsContact C-N 3.3Å; A1916-H1918 PolarHBondContact O-N 3.1Å
1919V85.8Confident89.3Confident38 Ų3840.9 Ų40.923%0.2320%0.199CC..Hα-helixtrans-78.8-53.2-177.1164.70000111.5R1915 A1916 L1960 D1964R1915-V1919 HydrophobicContact CG-CG2 4.44Å; R1915-V1919 WeakPolarHBondContact O-CB 3.46Å; R1915-V1919 VanDerWaalsContact O-CG2 3.26Å; R1915-V1919 WeakPolarHBondContact O-CG2 3.35Å; R1915-V1919 PolarHBondContact O-N 3.2Å; A1916-V1919 PolarHBondContact O-N 2.86Å; V1919-L1960 HydrophobicContact CB-CD2 4.39Å; V1919-L1960 HydrophobicContact CG1-CD2 4.01Å; V1919-D1964 HydrophobicContact CG1-CB 3.34Å; V1919-D1964 VanDerWaalsContact CG1-OD2 3.23Å; V1919-D1964 WeakPolarHBondContact CG1-OD2 3.4Å
1920N87.5Confident88.8Confident49 Ų4944.4 Ų44.426%0.26222%0.223SC..  trans-14687.4-179.3-165.5-38.7000110.4A1916 D1922 K1923 A1924 L1960A1916-N1920 CarbonylContact O-C 3.34Å; A1916-N1920 VanDerWaalsContact O-C 3.27Å; A1916-N1920 PolarHBondContact O-N 2.97Å; N1920-D1922 VanDerWaalsContact C-N 3.28Å; N1920-D1922 PolarHBondContact O-N 3.03Å; N1920-D1922 PolarHBondContact OD1-N 2.99Å; N1920-K1923 HydrophobicContact CB-CB 4.35Å; N1920-K1923 WeakPolarHBondContact OD1-CB 3.49Å; N1920-K1923 PolarHBondContact OD1-N 3.32Å; N1920-A1924 WeakPolarHBondContact O-CB 3.37Å; N1920-A1924 PolarHBondContact O-N 2.79Å; N1920-L1960 HydrophobicContact CB-CD1 4.37Å; N1920-L1960 HydrophobicContact CB-CD2 4.12Å
1921N88Confident88.1Confident45 Ų4549.7 Ų49.724%0.24125%0.251CS..Hα-helixtrans-54.4-43.1-178.8-168.826.8000112.8L1917 K1925L1917-N1921 WeakPolarHBondContact CD2-OD1 3.47Å; L1917-N1921 WeakPolarHBondContact O-CA 3.21Å; L1917-N1921 PolarHBondContact O-N 2.97Å; N1921-K1925 VanDerWaalsContact O-CG 3.31Å; N1921-K1925 WeakPolarHBondContact O-CG 3.45Å; N1921-K1925 PolarHBondContact O-N 3.42Å; N1921-K1925 VanDerWaalsContact O-N 3.08Å; N1921-K1925 VanDerWaalsContact OD1-CE 3.27Å; N1921-K1925 WeakPolarHBondContact OD1-CE 3.49Å
1922D87.1Confident87.6Confident115 Ų11559.6 Ų59.662%0.61530%0.295SS*.Hα-helixtrans-72.5-49.4-172.9-56.2-33.9000111.3N1920 A1924 K1925 I1926N1920-D1922 VanDerWaalsContact C-N 3.28Å; N1920-D1922 PolarHBondContact O-N 3.03Å; N1920-D1922 PolarHBondContact OD1-N 2.99Å; D1922-A1924 PolarHBondContact O-N 3.06Å; D1922-K1925 PolarHBondContact O-N 3.17Å; D1922-I1926 WeakPolarHBondContact O-CG1 3.12Å; D1922-I1926 PolarHBondContact O-N 3.46Å; D1922-I1926 VanDerWaalsContact O-N 3.08Å
1923K87.8Confident87.2Confident128 Ų12864.5 Ų64.556%0.55733%0.325SS*.Hα-helixtrans-64.4-39.2176.4-74.9-169.2179-172.50112.4N1920 K1925 I1926 V1927 L1960N1920-K1923 HydrophobicContact CB-CB 4.35Å; N1920-K1923 WeakPolarHBondContact OD1-CB 3.49Å; N1920-K1923 PolarHBondContact OD1-N 3.32Å; K1923-K1925 VanDerWaalsContact C-N 3.31Å; K1923-K1925 PolarHBondContact O-N 3.49Å; K1923-I1926 PolarHBondContact O-N 2.87Å; K1923-V1927 WeakPolarHBondContact O-CG2 3.39Å; K1923-V1927 PolarHBondContact O-N 3.31Å; K1923-L1960 HydrophobicContact CB-CD1 3.58Å; K1923-L1960 HydrophobicContact CD-CD1 4.33Å
1924A88.3Confident86.5Confident0 Ų065.9 Ų65.90%033%0.334CS..Hα-helixtrans-62-40.3177.300000111.4A1916 L1917 N1920 D1922 V1927 L1928 L1957A1916-A1924 HydrophobicContact CB-CB 3.93Å; L1917-A1924 HydrophobicContact CD2-CB 3.95Å; L1917-A1924 HydrophobicContact CG-CB 4.25Å; N1920-A1924 WeakPolarHBondContact O-CB 3.37Å; N1920-A1924 PolarHBondContact O-N 2.79Å; D1922-A1924 PolarHBondContact O-N 3.06Å; A1924-V1927 PolarHBondContact O-N 3.45Å; A1924-L1928 WeakPolarHBondContact O-CB 3.31Å; A1924-L1928 VanDerWaalsContact O-CG 3.23Å; A1924-L1928 WeakPolarHBondContact O-CG 3.37Å; A1924-L1928 PolarHBondContact O-N 2.93Å; A1924-L1957 HydrophobicContact CB-CD2 4.4Å
1925K88Confident86.2Confident58 Ų5871.2 Ų71.225%0.25236%0.361SS..Hα-helixtrans-65.5-39.3174.7-76177.8178.5-175.50112.9E1874 L1917 N1921 D1922 K1923 V1927 L1928 K1929E1874-K1925 VanDerWaalsContact CD-NZ 3.28Å; E1874-K1925 IonicContact OE1-NZ 3.38Å; E1874-K1925 PolarHBondContact OE1-NZ 3.19Å; E1874-K1925 IonicContact OE2-NZ 2.7Å; E1874-K1925 PolarHBondContact OE2-NZ 3.37Å; L1917-K1925 HydrophobicContact CD2-CG 4.12Å; N1921-K1925 VanDerWaalsContact O-CG 3.31Å; N1921-K1925 WeakPolarHBondContact O-CG 3.45Å; N1921-K1925 PolarHBondContact O-N 3.42Å; N1921-K1925 VanDerWaalsContact O-N 3.08Å; N1921-K1925 VanDerWaalsContact OD1-CE 3.27Å; N1921-K1925 WeakPolarHBondContact OD1-CE 3.49Å; D1922-K1925 PolarHBondContact O-N 3.17Å; K1923-K1925 VanDerWaalsContact C-N 3.31Å; K1923-K1925 PolarHBondContact O-N 3.49Å; K1925-V1927 VanDerWaalsContact C-N 3.34Å; K1925-L1928 PolarHBondContact O-N 2.88Å; K1925-K1929 PolarHBondContact O-N 3.28Å
1926I87.9Confident85.9Confident117 Ų11772.3 Ų72.360%0.637%0.37SS*.Hα-helixtrans-62.1-44174.6-66.6165.1000110.5D1922 K1923 K1929 P1930D1922-I1926 WeakPolarHBondContact O-CG1 3.12Å; D1922-I1926 PolarHBondContact O-N 3.46Å; D1922-I1926 VanDerWaalsContact O-N 3.08Å; K1923-I1926 PolarHBondContact O-N 2.87Å; I1926-K1929 CarbonylContact O-C 3.59Å; I1926-K1929 PolarHBondContact O-N 3.39Å; I1926-P1930 WeakPolarHBondContact O-CA 3.49Å
1927V88.7Confident85.6Confident26 Ų2675.1 Ų75.116%0.15838%0.383CS..Hα-helixtrans-63.7-40.1176.5164.50000111.9K1923 A1924 K1925 V1953 Q1956 L1957K1923-V1927 WeakPolarHBondContact O-CG2 3.39Å; K1923-V1927 PolarHBondContact O-N 3.31Å; A1924-V1927 PolarHBondContact O-N 3.45Å; K1925-V1927 VanDerWaalsContact C-N 3.34Å; V1927-V1953 HydrophobicContact CG1-CG1 4Å; V1927-Q1956 HydrophobicContact CG1-CB 3.97Å; V1927-Q1956 HydrophobicContact CG2-CB 4.4Å; V1927-L1957 HydrophobicContact CB-CD2 4.38Å; V1927-L1957 HydrophobicContact CG1-CD2 3.82Å; V1927-L1957 HydrophobicContact CG1-CG 4.08Å
1928L87.5Confident85.2Confident10 Ų1080.3 Ų80.35%0.05242%0.417CS..Hα-helixtrans-72.5-33.9179.5-72.1168.1000112.8I1913 A1924 K1925 P1930 W1942 P1943 W1950 V1953I1913-L1928 HydrophobicContact CG1-CD2 4.46Å; I1913-L1928 HydrophobicContact CG2-CD1 4.14Å; A1924-L1928 WeakPolarHBondContact O-CB 3.31Å; A1924-L1928 VanDerWaalsContact O-CG 3.23Å; A1924-L1928 WeakPolarHBondContact O-CG 3.37Å; A1924-L1928 PolarHBondContact O-N 2.93Å; K1925-L1928 PolarHBondContact O-N 2.88Å; L1928-P1930 VanDerWaalsContact C-CD 3.48Å; L1928-W1942 HydrophobicContact CD1-CE3 4.43Å; L1928-W1942 HydrophobicContact CD1-CZ3 4.23Å; L1928-P1943 HydrophobicContact CB-CG 4.45Å; L1928-P1943 VanDerWaalsContact O-CG 3.23Å; L1928-P1943 WeakPolarHBondContact O-CG 3.39Å; L1928-W1950 HydrophobicContact CD2-CZ3 4.49Å; L1928-V1953 HydrophobicContact CD2-CG1 4.18Å
1929K86.8Confident85Confident120 Ų12081.6 Ų81.652%0.52242%0.424SS..  trans-12967.7-177.1-63.7-175.5178.9-1720110.7K1925 I1926 T1936 P1943K1925-K1929 PolarHBondContact O-N 3.28Å; I1926-K1929 CarbonylContact O-C 3.59Å; I1926-K1929 PolarHBondContact O-N 3.39Å; K1929-T1936 WeakPolarHBondContact CE-OG1 3.48Å; K1929-T1936 PolarHBondContact NZ-OG1 3.11Å; K1929-P1943 HydrophobicContact CG-CG 4.11Å
1930P80.9Confident85Confident82 Ų8280.4 Ų80.453%0.53242%0.415SS..  trans-71.6-33.6-17428.1-34000112.5I1926 L1928 T1934I1926-P1930 WeakPolarHBondContact O-CA 3.49Å; L1928-P1930 VanDerWaalsContact C-CD 3.48Å; P1930-T1934 HydrophobicContact CG-CG2 4.43Å
1931D78.3Confident85.1Confident111 Ų11178.8 Ų78.859%0.59441%0.407SS*.SBendtrans-135.3155.5-175.4-88.6-28.6000112.5T1933 T1934D1931-T1933 WeakPolarHBondContact CB-OG1 3.47Å; D1931-T1933 PolarHBondContact O-N 2.9Å; D1931-T1933 VanDerWaalsContact O-N 3.16Å; D1931-T1934 PolarHBondContact O-N 3.12Å; D1931-T1934 PolarHBondContact O-OG1 3.04Å
1932K79.8Confident85.2Confident210 Ų21077.1 Ų77.191%0.91340%0.397SS*.THydrogen-bonded Turntrans-64-18.7178.2-166.6169.1-177.9179.30113.6T1934K1932-T1934 VanDerWaalsContact C-N 3.26Å; K1932-T1934 PolarHBondContact O-N 2.87Å
1933T81.3Confident85.2Confident117 Ų11771.8 Ų71.872%0.71837%0.369SS*.THydrogen-bonded Turntrans-69-23.4174520000112.7D1931 I1935D1931-T1933 WeakPolarHBondContact CB-OG1 3.47Å; D1931-T1933 PolarHBondContact O-N 2.9Å; D1931-T1933 VanDerWaalsContact O-N 3.16Å; T1933-I1935 PolarHBondContact O-N 2.98Å; T1933-I1935 VanDerWaalsContact O-N 3.08Å
1934T79.1Confident85.1Confident31 Ų3168.1 Ų68.119%0.1936%0.359CS..  trans-79.192.4177.660.90000110.5P1930 D1931 K1932 L1945P1930-T1934 HydrophobicContact CG-CG2 4.43Å; D1931-T1934 PolarHBondContact O-N 3.12Å; D1931-T1934 PolarHBondContact O-OG1 3.04Å; K1932-T1934 VanDerWaalsContact C-N 3.26Å; K1932-T1934 PolarHBondContact O-N 2.87Å; T1934-L1945 HydrophobicContact CG2-CD2 4.06Å
1935I84.5Confident85Confident112 Ų11269.8 Ų69.857%0.57437%0.368SS*.  trans-82.2145.217759.6171.4000111.2T1933 S1944T1933-I1935 PolarHBondContact O-N 2.98Å; T1933-I1935 VanDerWaalsContact O-N 3.08Å; I1935-S1944 PolarHBondContact O-N 2.82Å; I1935-S1944 VanDerWaalsContact O-N 3.1Å
1936T85.7Confident84.9Confident44 Ų4469.8 Ų69.827%0.2738%0.375SS..  trans-109.4122.6167.1-53.10000106.5K1929 H1940K1929-T1936 WeakPolarHBondContact CE-OG1 3.48Å; K1929-T1936 PolarHBondContact NZ-OG1 3.11Å; T1936-H1940 HydrophobicContact CG2-CB 4.48Å
1937E84.8Confident84.7Confident60 Ų6067 Ų6728%0.2837%0.366SS..  trans-64.2146.6177.5-71169.8-125.800110.6H1939 H1940 S1944E1937-H1939 PolarHBondContact O-N 3.43Å; E1937-H1939 IonicContact OE2-CE1 3.91Å; E1937-H1939 PolarHBondContact OE2-CE1 2.96Å; E1937-H1939 IonicContact OE2-ND1 2.76Å; E1937-H1939 IonicContact OE2-NE2 3.62Å; E1937-H1939 PolarHBondContact OE2-NE2 2.59Å; E1937-H1939 VanDerWaalsContact OE2-NE2 3.09Å; E1937-H1940 HydrophobicContact CB-CB 4.01Å; E1937-H1940 PolarHBondContact O-N 2.86Å; E1937-H1940 IonicContact OE1-CE1 2.66Å; E1937-H1940 IonicContact OE1-ND1 3.86Å; E1937-H1940 IonicContact OE2-CE1 3.8Å; E1937-H1940 IonicContact OE2-ND1 3.48Å; E1937-S1944 PolarHBondContact OE1-OG 3.33Å
1938P81.9Confident84.4Confident117 Ų11771.2 Ų71.276%0.7639%0.387SS*.THydrogen-bonded Turntrans-60.9-30.8-175.521.4-32000113K1875K1875-P1938 PolarHBondContact NZ-O 3.26Å
1939H84.7Confident84.4Confident124 Ų12473.7 Ų73.757%0.57440%0.401SS*.THydrogen-bonded Turntrans-84.2-15.1175.957.2-83.2000113.2E1937E1937-H1939 PolarHBondContact O-N 3.43Å; E1937-H1939 IonicContact OE2-CE1 3.91Å; E1937-H1939 PolarHBondContact OE2-CE1 2.96Å; E1937-H1939 IonicContact OE2-ND1 2.76Å; E1937-H1939 IonicContact OE2-NE2 3.62Å; E1937-H1939 PolarHBondContact OE2-NE2 2.59Å; E1937-H1939 VanDerWaalsContact OE2-NE2 3.09Å
1940H87.6Confident84.6Confident13 Ų1368.3 Ų68.36%0.0638%0.377CS..  trans-88.7166.2175.6-68.8166.8000113K1875 D1895 D1896 T1936 E1937K1875-H1940 PolarHBondContact NZ-O 2.87Å; D1895-H1940 HydrophobicContact CB-CB 4.23Å; D1895-H1940 VanDerWaalsContact OD1-CA 3.31Å; D1895-H1940 WeakPolarHBondContact OD1-CA 3.2Å; D1895-H1940 IonicContact OD1-CD2 3.39Å; D1895-H1940 IonicContact OD1-CG 2.71Å; D1896-H1940 IonicContact OD2-CE1 2.73Å; D1896-H1940 IonicContact OD2-NE2 2.84Å; T1936-H1940 HydrophobicContact CG2-CB 4.48Å; E1937-H1940 HydrophobicContact CB-CB 4.01Å; E1937-H1940 PolarHBondContact O-N 2.86Å; E1937-H1940 IonicContact OE1-CE1 2.66Å; E1937-H1940 IonicContact OE1-ND1 3.86Å; E1937-H1940 IonicContact OE2-CE1 3.8Å; E1937-H1940 IonicContact OE2-ND1 3.48Å
1941I88.8Confident84.8Confident15 Ų1568.2 Ų68.28%0.07737%0.371CS..SBendtrans-105.9-43174.3-59.9168.7000109.7F1876 F1891 N1892 L1893 D1895F1876-I1941 HydrophobicContact CE2-CD1 4.19Å; F1876-I1941 HydrophobicContact CE2-CG2 4.4Å; F1876-I1941 HydrophobicContact CZ-CD1 3.67Å; F1876-I1941 HydrophobicContact CZ-CG1 4.45Å; F1891-I1941 HydrophobicContact CB-CD1 4.47Å; F1891-I1941 HydrophobicContact CD1-CD1 4.46Å; N1892-I1941 WeakPolarHBondContact O-CD1 3.3Å; L1893-I1941 HydrophobicContact CD2-CD1 3.62Å; D1895-I1941 PolarHBondContact OD1-N 3.46Å; D1895-I1941 VanDerWaalsContact OD1-N 3.08Å; D1895-I1941 PolarHBondContact OD2-N 3.49Å
1942W90.4Very high85.3Confident9 Ų968.9 Ų68.93%0.03437%0.369CS..SBendtrans-100.7155-175.6-50.9112.5000111.5V1873 L1893 D1895 W1897 L1910 I1913 L1914 L1917 L1928 W1950V1873-W1942 HydrophobicContact CG2-CH2 4.38Å; L1893-W1942 VanDerWaalsContact O-CD1 3.29Å; L1893-W1942 PolarHBondContact O-NE1 2.89Å; D1895-W1942 PolarHBondContact OD2-N 3.06Å; W1897-W1942 AromaticContact CH2-CD1 3.47Å; W1897-W1942 VanDerWaalsContact CH2-CD1 3.47Å; W1897-W1942 HydrophobicContact CH2-CG 4.09Å; W1897-W1942 AromaticContact CH2-NE1 3.63Å; W1897-W1942 HydrophobicContact CZ2-CB 4Å; W1897-W1942 AromaticContact CZ2-CD1 3.37Å; W1897-W1942 AromaticContact CZ2-CG 3.74Å; W1897-W1942 HydrophobicContact CZ2-CG 3.74Å; L1910-W1942 HydrophobicContact CD1-CZ2 3.85Å; I1913-W1942 HydrophobicContact CD1-CD2 4.39Å; I1913-W1942 HydrophobicContact CG2-CE3 3.96Å; I1913-W1942 HydrophobicContact CG2-CH2 3.36Å; I1913-W1942 HydrophobicContact CG2-CZ2 4Å; I1913-W1942 HydrophobicContact CG2-CZ3 3.35Å; L1914-W1942 HydrophobicContact CD2-CH2 4.33Å; L1914-W1942 HydrophobicContact CD2-CZ2 4.48Å; L1917-W1942 HydrophobicContact CD1-CH2 3.93Å; L1917-W1942 HydrophobicContact CD1-CZ3 4.07Å; L1928-W1942 HydrophobicContact CD1-CE3 4.43Å; L1928-W1942 HydrophobicContact CD1-CZ3 4.23Å; W1942-W1950 HydrophobicContact CB-CH2 4.17Å; W1942-W1950 HydrophobicContact CB-CZ2 4.28Å
1943P87.8Confident85.8Confident4 Ų459.5 Ų59.53%0.02633%0.329CS..  trans-58.1139.9176.6-19.330.3000112.5L1928 K1929 L1945L1928-P1943 HydrophobicContact CB-CG 4.45Å; L1928-P1943 VanDerWaalsContact O-CG 3.23Å; L1928-P1943 WeakPolarHBondContact O-CG 3.39Å; K1929-P1943 HydrophobicContact CG-CG 4.11Å; P1943-L1945 HydrophobicContact CB-CD1 4.46Å; P1943-L1945 HydrophobicContact CB-CD2 4.44Å; P1943-L1945 HydrophobicContact CB-CG 4.13Å; P1943-L1945 PolarHBondContact O-N 3.44Å; P1943-L1945 VanDerWaalsContact O-N 3.11Å
1944S85.5Confident86.2Confident50 Ų5055.9 Ų55.935%0.3530%0.304SS..  trans-79.393.3177.7-620000109.5I1935 E1937I1935-S1944 PolarHBondContact O-N 2.82Å; I1935-S1944 VanDerWaalsContact O-N 3.1Å; E1937-S1944 PolarHBondContact OE1-OG 3.33Å
1945L85.9Confident86.7Confident36 Ų3661.2 Ų61.219%0.18832%0.322CS..  trans-110.9153.5-177.2-60173.9000112.2T1934 P1943 D1949 W1950 V1953T1934-L1945 HydrophobicContact CG2-CD2 4.06Å; P1943-L1945 HydrophobicContact CB-CD1 4.46Å; P1943-L1945 HydrophobicContact CB-CD2 4.44Å; P1943-L1945 HydrophobicContact CB-CG 4.13Å; P1943-L1945 PolarHBondContact O-N 3.44Å; P1943-L1945 VanDerWaalsContact O-N 3.11Å; L1945-D1949 HydrophobicContact CB-CB 4.06Å; L1945-D1949 HydrophobicContact CD2-CB 4.42Å; L1945-W1950 HydrophobicContact CB-CD2 4.39Å; L1945-W1950 HydrophobicContact CB-CG 4.21Å; L1945-W1950 HydrophobicContact CD1-CD2 4.21Å; L1945-W1950 HydrophobicContact CD1-CE3 4.43Å; L1945-W1950 HydrophobicContact CD1-CZ2 4.32Å; L1945-V1953 HydrophobicContact CD1-CG2 4.02Å
1946S86.4Confident87Confident58 Ų5860.7 Ų60.741%0.40632%0.317SS..  trans-67161.1170.274.50000111.4D1948 D1949 W1950S1946-D1948 PolarHBondContact O-N 3.49Å; S1946-D1949 PolarHBondContact O-N 2.95Å; S1946-D1949 PolarHBondContact OG-N 3.27Å; S1946-D1949 PolarHBondContact OG-OD2 3.37Å; S1946-W1950 PolarHBondContact O-N 3.14Å
1947S82.1Confident87.3Confident58 Ų5858.6 Ų58.641%0.40630%0.304SS..Hα-helixtrans-57.4-37.6176.5-63.10000112.4W1950 I1951S1947-W1950 PolarHBondContact O-N 3.44Å; S1947-I1951 WeakPolarHBondContact O-CG1 3.37Å; S1947-I1951 PolarHBondContact O-N 3.2Å; S1947-I1951 VanDerWaalsContact O-N 3.13Å
1948D83.6Confident87.6Confident114 Ų11459 Ų5961%0.6131%0.305SS*.Hα-helixtrans-69.6-38.9178.8-68.8-24.2000112.4S1946 I1951 K1952S1946-D1948 PolarHBondContact O-N 3.49Å; D1948-I1951 PolarHBondContact O-N 3.26Å; D1948-K1952 PolarHBondContact O-N 3Å
1949D86.8Confident88Confident63 Ų6358 Ų5834%0.33729%0.293SS..Hα-helixtrans-69.4-37.8176.4-64.8-39000111.5L1945 S1946 I1951 K1952 V1953L1945-D1949 HydrophobicContact CB-CB 4.06Å; L1945-D1949 HydrophobicContact CD2-CB 4.42Å; S1946-D1949 PolarHBondContact O-N 2.95Å; S1946-D1949 PolarHBondContact OG-N 3.27Å; S1946-D1949 PolarHBondContact OG-OD2 3.37Å; D1949-I1951 VanDerWaalsContact C-N 3.32Å; D1949-I1951 PolarHBondContact O-N 2.69Å; D1949-K1952 PolarHBondContact O-N 2.57Å; D1949-K1952 IonicContact OD1-NZ 3.54Å; D1949-V1953 WeakPolarHBondContact O-CG2 3.42Å; D1949-V1953 PolarHBondContact O-N 3.45Å
1950W90.7Very high88.3Confident6 Ų653.2 Ų53.22%0.02327%0.272CS..Hα-helixtrans-59.2-42172.2-89.7116000112.4W1897 R1909 I1913 L1928 W1942 L1945 S1946 S1947 K1952 V1953 E1954W1897-W1950 AromaticContact CE2-CZ2 3.8Å; W1897-W1950 AromaticContact CZ2-CH2 3.65Å; W1897-W1950 HydrophobicContact CZ2-CH2 3.65Å; W1897-W1950 AromaticContact CZ2-CZ2 3.69Å; W1897-W1950 HydrophobicContact CZ2-CZ2 3.69Å; W1897-W1950 HydrophobicContact CZ2-CZ3 4.4Å; W1897-W1950 AromaticContact NE1-CE2 3.61Å; W1897-W1950 AromaticContact NE1-CZ2 3.42Å; W1897-W1950 AromaticContact NE1-NE1 3.71Å; R1909-W1950 HydrophobicContact CG-CE3 4.26Å; R1909-W1950 HydrophobicContact CG-CZ3 4.27Å; R1909-W1950 VanDerWaalsContact NH1-CG 3.32Å; I1913-W1950 HydrophobicContact CD1-CH2 3.98Å; I1913-W1950 HydrophobicContact CD1-CZ3 3.81Å; L1928-W1950 HydrophobicContact CD2-CZ3 4.49Å; W1942-W1950 HydrophobicContact CB-CH2 4.17Å; W1942-W1950 HydrophobicContact CB-CZ2 4.28Å; L1945-W1950 HydrophobicContact CB-CD2 4.39Å; L1945-W1950 HydrophobicContact CB-CG 4.21Å; L1945-W1950 HydrophobicContact CD1-CD2 4.21Å; L1945-W1950 HydrophobicContact CD1-CE3 4.43Å; L1945-W1950 HydrophobicContact CD1-CZ2 4.32Å; S1946-W1950 PolarHBondContact O-N 3.14Å; S1947-W1950 PolarHBondContact O-N 3.44Å; W1950-K1952 VanDerWaalsContact C-N 3.34Å; W1950-K1952 PolarHBondContact O-N 3.47Å; W1950-V1953 HydrophobicContact CE3-CG1 4.38Å; W1950-V1953 HydrophobicContact CZ3-CG1 4.28Å; W1950-V1953 PolarHBondContact O-N 3.31Å; W1950-E1954 WeakPolarHBondContact O-CB 3.32Å; W1950-E1954 VanDerWaalsContact O-CG 3.29Å; W1950-E1954 WeakPolarHBondContact O-CG 3.44Å; W1950-E1954 PolarHBondContact O-N 3.42Å
1951I84.8Confident88.5Confident80 Ų8052.8 Ų52.841%0.4127%0.27SS..Hα-helixtrans-60.7-44.5177.1-69.4164.9000110.5S1947 D1948 D1949 V1953 E1954 Y1955S1947-I1951 WeakPolarHBondContact O-CG1 3.37Å; S1947-I1951 PolarHBondContact O-N 3.2Å; S1947-I1951 VanDerWaalsContact O-N 3.13Å; D1948-I1951 PolarHBondContact O-N 3.26Å; D1949-I1951 VanDerWaalsContact C-N 3.32Å; D1949-I1951 PolarHBondContact O-N 2.69Å; I1951-V1953 PolarHBondContact O-N 3.09Å; I1951-E1954 PolarHBondContact O-N 3.47Å; I1951-Y1955 HydrophobicContact CG2-CD2 3.88Å; I1951-Y1955 HydrophobicContact CG2-CE2 3.68Å; I1951-Y1955 VanDerWaalsContact O-CD2 3.23Å; I1951-Y1955 WeakPolarHBondContact O-CD2 3.47Å; I1951-Y1955 PolarHBondContact O-N 3.08Å; I1951-Y1955 VanDerWaalsContact O-N 3.09Å
1952K89.6Confident88.5Confident125 Ų12552.8 Ų52.854%0.54327%0.27SS..Hα-helixtrans-60-45.2176.2-67.4172.5-170.61600111.9D1948 D1949 W1950 Y1955 Q1956D1948-K1952 PolarHBondContact O-N 3Å; D1949-K1952 PolarHBondContact O-N 2.57Å; D1949-K1952 IonicContact OD1-NZ 3.54Å; W1950-K1952 VanDerWaalsContact C-N 3.34Å; W1950-K1952 PolarHBondContact O-N 3.47Å; K1952-Y1955 PolarHBondContact O-N 3.11Å; K1952-Q1956 WeakPolarHBondContact O-CG 3.5Å; K1952-Q1956 PolarHBondContact O-N 2.88Å; K1952-Q1956 VanDerWaalsContact O-N 3.17Å
1953V90.4Very high88.4Confident13 Ų1355 Ų558%0.07929%0.291CS..Hα-helixtrans-63.6-42.6177.4170.80000111V1927 L1928 L1945 D1949 W1950 I1951 Y1955 Q1956 L1957V1927-V1953 HydrophobicContact CG1-CG1 4Å; L1928-V1953 HydrophobicContact CD2-CG1 4.18Å; L1945-V1953 HydrophobicContact CD1-CG2 4.02Å; D1949-V1953 WeakPolarHBondContact O-CG2 3.42Å; D1949-V1953 PolarHBondContact O-N 3.45Å; W1950-V1953 HydrophobicContact CE3-CG1 4.38Å; W1950-V1953 HydrophobicContact CZ3-CG1 4.28Å; W1950-V1953 PolarHBondContact O-N 3.31Å; I1951-V1953 PolarHBondContact O-N 3.09Å; V1953-Y1955 PolarHBondContact O-N 2.81Å; V1953-Q1956 PolarHBondContact O-N 2.88Å; V1953-L1957 HydrophobicContact CG1-CD1 3.75Å; V1953-L1957 HydrophobicContact CG1-CG 4.13Å; V1953-L1957 VanDerWaalsContact O-CG 3.24Å; V1953-L1957 WeakPolarHBondContact O-CG 3.12Å; V1953-L1957 PolarHBondContact O-N 3.38Å
1954E89.9Confident88.4Confident42 Ų4256.6 Ų56.620%0.19630%0.299CS..Hα-helixtrans-59.4-43.1177.4-77.8175-163.300112.5R1909 L1912 W1950 I1951 L1957 K1958R1909-E1954 IonicContact CZ-OE1 3.74Å; R1909-E1954 IonicContact NE-OE1 2.9Å; R1909-E1954 PolarHBondContact NE-OE1 3.46Å; R1909-E1954 IonicContact NH2-OE1 3.52Å; R1909-E1954 PolarHBondContact NH2-OE1 2.8Å; L1912-E1954 HydrophobicContact CD1-CB 4.48Å; L1912-E1954 HydrophobicContact CD1-CG 4.39Å; W1950-E1954 WeakPolarHBondContact O-CB 3.32Å; W1950-E1954 VanDerWaalsContact O-CG 3.29Å; W1950-E1954 WeakPolarHBondContact O-CG 3.44Å; W1950-E1954 PolarHBondContact O-N 3.42Å; I1951-E1954 PolarHBondContact O-N 3.47Å; E1954-L1957 PolarHBondContact O-N 3.43Å; E1954-K1958 VanDerWaalsContact O-CB 3.28Å; E1954-K1958 WeakPolarHBondContact O-CB 3.25Å; E1954-K1958 PolarHBondContact O-N 3.19Å
1955Y89.1Confident88.4Confident143 Ų14356.6 Ų56.656%0.56129%0.291SS*.Hα-helixtrans-60.9-46.7173.7-83.7-71.6000111.8I1951 K1952 V1953 L1957 K1958 D1959I1951-Y1955 HydrophobicContact CG2-CD2 3.88Å; I1951-Y1955 HydrophobicContact CG2-CE2 3.68Å; I1951-Y1955 VanDerWaalsContact O-CD2 3.23Å; I1951-Y1955 WeakPolarHBondContact O-CD2 3.47Å; I1951-Y1955 PolarHBondContact O-N 3.08Å; I1951-Y1955 VanDerWaalsContact O-N 3.09Å; K1952-Y1955 PolarHBondContact O-N 3.11Å; V1953-Y1955 PolarHBondContact O-N 2.81Å; Y1955-L1957 VanDerWaalsContact C-N 3.34Å; Y1955-L1957 PolarHBondContact O-N 3.22Å; Y1955-K1958 PolarHBondContact O-N 2.95Å; Y1955-D1959 WeakPolarHBondContact O-CB 3.13Å; Y1955-D1959 PolarHBondContact O-N 3.36Å
1956Q90.9Very high88.4Confident100 Ų10055.3 Ų55.347%0.46729%0.287SS..Hα-helixtrans-61.9-40.3178.2-70.3178.1-4.200112.6V1927 K1952 V1953 L1960V1927-Q1956 HydrophobicContact CG1-CB 3.97Å; V1927-Q1956 HydrophobicContact CG2-CB 4.4Å; K1952-Q1956 WeakPolarHBondContact O-CG 3.5Å; K1952-Q1956 PolarHBondContact O-N 2.88Å; K1952-Q1956 VanDerWaalsContact O-N 3.17Å; V1953-Q1956 PolarHBondContact O-N 2.88Å; Q1956-L1960 WeakPolarHBondContact O-CB 3.03Å; Q1956-L1960 PolarHBondContact O-N 3.27Å
1957L92.6Very high88.3Confident1 Ų160.6 Ų60.61%0.00530%0.302CS..Hα-helixtrans-68.8-41.6177.1-65.5173.3000111.6I1913 A1916 A1924 V1927 V1953 E1954 Y1955 L1960 I1961I1913-L1957 HydrophobicContact CG1-CD1 3.74Å; A1916-L1957 HydrophobicContact CB-CB 4.26Å; A1916-L1957 HydrophobicContact CB-CD2 3.51Å; A1916-L1957 HydrophobicContact CB-CG 4.39Å; A1924-L1957 HydrophobicContact CB-CD2 4.4Å; V1927-L1957 HydrophobicContact CB-CD2 4.38Å; V1927-L1957 HydrophobicContact CG1-CD2 3.82Å; V1927-L1957 HydrophobicContact CG1-CG 4.08Å; V1953-L1957 HydrophobicContact CG1-CD1 3.75Å; V1953-L1957 HydrophobicContact CG1-CG 4.13Å; V1953-L1957 VanDerWaalsContact O-CG 3.24Å; V1953-L1957 WeakPolarHBondContact O-CG 3.12Å; V1953-L1957 PolarHBondContact O-N 3.38Å; E1954-L1957 PolarHBondContact O-N 3.43Å; Y1955-L1957 VanDerWaalsContact C-N 3.34Å; Y1955-L1957 PolarHBondContact O-N 3.22Å; L1957-L1960 PolarHBondContact O-N 3.35Å; L1957-I1961 WeakPolarHBondContact O-CD1 3.22Å; L1957-I1961 VanDerWaalsContact O-CG1 3.26Å; L1957-I1961 WeakPolarHBondContact O-CG1 3.36Å; L1957-I1961 PolarHBondContact O-N 3.45Å
1958K90.8Very high88.3Confident69 Ų6964.2 Ų64.230%0.331%0.311SS..Hα-helixtrans-60-48174.5178.3-172.7172.2-170.50111.1L1912 E1954 Y1955 L1960 I1961 L1962 I1985L1912-K1958 HydrophobicContact CD2-CB 4.26Å; E1954-K1958 VanDerWaalsContact O-CB 3.28Å; E1954-K1958 WeakPolarHBondContact O-CB 3.25Å; E1954-K1958 PolarHBondContact O-N 3.19Å; Y1955-K1958 PolarHBondContact O-N 2.95Å; K1958-L1960 VanDerWaalsContact C-N 3.3Å; K1958-L1960 PolarHBondContact O-N 3.19Å; K1958-I1961 PolarHBondContact O-N 3.29Å; K1958-L1962 HydrophobicContact CG-CD1 3.95Å; K1958-L1962 HydrophobicContact CG-CG 4.44Å; K1958-L1962 WeakPolarHBondContact O-CG 3.38Å; K1958-L1962 PolarHBondContact O-N 3.47Å; K1958-I1985 HydrophobicContact CG-CD1 4.39Å
1959D90Very high88.1Confident95 Ų9562.7 Ų62.751%0.50830%0.303SS..Hα-helixtrans-63.5-37.5178.7-72.4-14.8000111.5Y1955 L1962 A1963Y1955-D1959 WeakPolarHBondContact O-CB 3.13Å; Y1955-D1959 PolarHBondContact O-N 3.36Å; D1959-L1962 PolarHBondContact O-N 2.82Å; D1959-A1963 WeakPolarHBondContact O-CB 3.39Å; D1959-A1963 PolarHBondContact O-N 3.21Å
1960L91.6Very high87.9Confident23 Ų2366.9 Ų66.912%0.1233%0.325CS..Hα-helixtrans-62.1-42.9173.9-179.7151.3000112.1A1916 V1919 N1920 K1923 Q1956 L1957 K1958 D1964A1916-L1960 HydrophobicContact CB-CD2 4Å; V1919-L1960 HydrophobicContact CB-CD2 4.39Å; V1919-L1960 HydrophobicContact CG1-CD2 4.01Å; N1920-L1960 HydrophobicContact CB-CD1 4.37Å; N1920-L1960 HydrophobicContact CB-CD2 4.12Å; K1923-L1960 HydrophobicContact CB-CD1 3.58Å; K1923-L1960 HydrophobicContact CD-CD1 4.33Å; Q1956-L1960 WeakPolarHBondContact O-CB 3.03Å; Q1956-L1960 PolarHBondContact O-N 3.27Å; L1957-L1960 PolarHBondContact O-N 3.35Å; K1958-L1960 VanDerWaalsContact C-N 3.3Å; K1958-L1960 PolarHBondContact O-N 3.19Å; L1960-D1964 WeakPolarHBondContact O-CB 3.33Å; L1960-D1964 PolarHBondContact O-N 2.86Å
1961I90.7Very high87.2Confident5 Ų569 Ų693%0.02634%0.339CS..Hα-helixtrans-67.1-47.4178.2-66.3159.2000110.5L1912 R1915 A1916 L1957 K1958 D1964 Y1965 I1984L1912-I1961 HydrophobicContact CD2-CD1 3.75Å; R1915-I1961 HydrophobicContact CB-CD1 3.77Å; R1915-I1961 HydrophobicContact CB-CG1 4.28Å; R1915-I1961 HydrophobicContact CG-CD1 3.84Å; R1915-I1961 HydrophobicContact CG-CG1 3.95Å; R1915-I1961 HydrophobicContact CG-CG2 4.1Å; A1916-I1961 HydrophobicContact CB-CD1 4.48Å; A1916-I1961 HydrophobicContact CB-CG1 4.42Å; L1957-I1961 WeakPolarHBondContact O-CD1 3.22Å; L1957-I1961 VanDerWaalsContact O-CG1 3.26Å; L1957-I1961 WeakPolarHBondContact O-CG1 3.36Å; L1957-I1961 PolarHBondContact O-N 3.45Å; K1958-I1961 PolarHBondContact O-N 3.29Å; I1961-D1964 PolarHBondContact O-N 3.43Å; I1961-Y1965 WeakPolarHBondContact O-CB 3.34Å; I1961-Y1965 PolarHBondContact O-N 3.5Å; I1961-I1984 HydrophobicContact CG2-CG2 4.15Å
1962L89.7Confident87.2Confident14 Ų1470.4 Ų70.47%0.07335%0.347CS..Hα-helixtrans-67.3-40.7-179.8-68.8176.7000111.9K1958 D1959 Y1965 G1966 V1973 L1976 I1981 I1984K1958-L1962 HydrophobicContact CG-CD1 3.95Å; K1958-L1962 HydrophobicContact CG-CG 4.44Å; K1958-L1962 WeakPolarHBondContact O-CG 3.38Å; K1958-L1962 PolarHBondContact O-N 3.47Å; D1959-L1962 PolarHBondContact O-N 2.82Å; L1962-Y1965 PolarHBondContact O-N 3.35Å; L1962-G1966 PolarHBondContact O-N 3.43Å; L1962-V1973 HydrophobicContact CB-CG1 4.2Å; L1962-V1973 VanDerWaalsContact O-CG1 3.3Å; L1962-V1973 WeakPolarHBondContact O-CG1 3.41Å; L1962-L1976 HydrophobicContact CD2-CD1 4.02Å; L1962-I1981 HydrophobicContact CD1-CG2 4.47Å; L1962-I1981 HydrophobicContact CD2-CG1 4.32Å; L1962-I1981 HydrophobicContact CD2-CG2 4.33Å; L1962-I1984 HydrophobicContact CD2-CD1 4.34Å; L1962-I1984 HydrophobicContact CD2-CG2 4.31Å
1963A88Confident86.9Confident57 Ų5767.6 Ų67.647%0.47134%0.34SS..Hα-helixtrans-65.4-39176.400000111.9D1959 K1967D1959-A1963 WeakPolarHBondContact O-CB 3.39Å; D1959-A1963 PolarHBondContact O-N 3.21Å; A1963-K1967 WeakPolarHBondContact O-CB 3.48Å; A1963-K1967 PolarHBondContact O-N 3.1Å
1964D88.3Confident86.5Confident36 Ų3671.1 Ų71.119%0.19337%0.371CS..Hα-helixtrans-69.2-40.3174.2-170.276.6000112V1919 L1960 I1961 K1967 K1968V1919-D1964 HydrophobicContact CG1-CB 3.34Å; V1919-D1964 VanDerWaalsContact CG1-OD2 3.23Å; V1919-D1964 WeakPolarHBondContact CG1-OD2 3.4Å; L1960-D1964 WeakPolarHBondContact O-CB 3.33Å; L1960-D1964 PolarHBondContact O-N 2.86Å; I1961-D1964 PolarHBondContact O-N 3.43Å; D1964-K1967 PolarHBondContact O-N 3.25Å; D1964-K1968 WeakPolarHBondContact O-CB 3.39Å; D1964-K1968 WeakPolarHBondContact O-CG 3.42Å; D1964-K1968 PolarHBondContact O-N 3.08Å; D1964-K1968 WeakPolarHBondContact OD2-CD 3.23Å; D1964-K1968 WeakPolarHBondContact OD2-CE 3.29Å; D1964-K1968 IonicContact OD2-NZ 3.03Å; D1964-K1968 PolarHBondContact OD2-NZ 3.35Å
1965Y85.6Confident86.1Confident50 Ų5072.7 Ų72.720%0.19639%0.386CS..Hα-helixtrans-62.9-47.7174.8-174.7-88.6000111.5I1961 L1962 K1967 K1968 N1969 I1984 I1990I1961-Y1965 WeakPolarHBondContact O-CB 3.34Å; I1961-Y1965 PolarHBondContact O-N 3.5Å; L1962-Y1965 PolarHBondContact O-N 3.35Å; Y1965-K1967 VanDerWaalsContact C-N 3.29Å; Y1965-K1967 PolarHBondContact O-N 3.23Å; Y1965-K1968 PolarHBondContact O-N 3.12Å; Y1965-N1969 VanDerWaalsContact CD2-ND2 3.27Å; Y1965-N1969 WeakPolarHBondContact CD2-ND2 3.44Å; Y1965-N1969 HydrophobicContact CE1-CB 4.31Å; Y1965-N1969 WeakPolarHBondContact CE1-ND2 3.5Å; Y1965-N1969 WeakPolarHBondContact CE2-ND2 3.3Å; Y1965-N1969 WeakPolarHBondContact O-CB 3.36Å; Y1965-N1969 PolarHBondContact O-N 3.28Å; Y1965-N1969 PolarHBondContact O-ND2 3.12Å; Y1965-I1984 HydrophobicContact CD1-CD1 3.45Å; Y1965-I1984 VanDerWaalsContact CD1-CD1 3.45Å; Y1965-I1984 HydrophobicContact CD1-CG1 3.97Å; Y1965-I1984 HydrophobicContact CD1-CG2 4.43Å; Y1965-I1984 HydrophobicContact CD2-CB 4.41Å; Y1965-I1984 HydrophobicContact CD2-CD1 4.3Å; Y1965-I1984 HydrophobicContact CD2-CG1 3.9Å; Y1965-I1984 HydrophobicContact CD2-CG2 3.71Å; Y1965-I1984 HydrophobicContact CE1-CD1 3.42Å; Y1965-I1984 VanDerWaalsContact CE1-CD1 3.42Å; Y1965-I1984 HydrophobicContact CE1-CG1 3.81Å; Y1965-I1984 HydrophobicContact CE2-CD1 4.27Å; Y1965-I1984 HydrophobicContact CE2-CG1 3.72Å; Y1965-I1984 HydrophobicContact CE2-CG2 4.33Å; Y1965-I1984 HydrophobicContact CG-CD1 3.91Å; Y1965-I1984 HydrophobicContact CG-CG1 4.02Å; Y1965-I1984 HydrophobicContact CG-CG2 3.76Å; Y1965-I1990 HydrophobicContact CE1-CD1 4.04Å; Y1965-I1990 WeakPolarHBondContact OH-CD1 3.11Å; Y1965-I1990 WeakPolarHBondContact OH-CG1 3.39Å
1966G84.5Confident85.7Confident9 Ų966.8 Ų66.89%0.09336%0.364CS..Hα-helixtrans-60.2-38.6175.400000112L1962 N1970 V1971L1962-G1966 PolarHBondContact O-N 3.43Å; G1966-N1970 CarbonylContact O-C 3.33Å; G1966-N1970 WeakPolarHBondContact O-CA 3.46Å; G1966-N1970 PolarHBondContact O-N 2.93Å; G1966-V1971 VanDerWaalsContact CA-O 3.23Å; G1966-V1971 WeakPolarHBondContact CA-O 3.19Å; G1966-V1971 PolarHBondContact O-N 2.85Å; G1966-V1971 VanDerWaalsContact O-N 3.1Å
1967K85Confident85.3Confident169 Ų16965.2 Ų65.274%0.73536%0.362SS*.Hα-helixtrans-70.9-37.9175.3-174.4174.3-178.1176.10113.4A1963 D1964 Y1965A1963-K1967 WeakPolarHBondContact O-CB 3.48Å; A1963-K1967 PolarHBondContact O-N 3.1Å; D1964-K1967 PolarHBondContact O-N 3.25Å; Y1965-K1967 VanDerWaalsContact C-N 3.29Å; Y1965-K1967 PolarHBondContact O-N 3.23Å
1968K81.7Confident84.5Confident135 Ų13573.4 Ų73.459%0.58740%0.4SS*.Hα-helixtrans-73.7-34.5178.3-81.4177.6176.4152.30112.7D1964 Y1965D1964-K1968 WeakPolarHBondContact O-CB 3.39Å; D1964-K1968 WeakPolarHBondContact O-CG 3.42Å; D1964-K1968 PolarHBondContact O-N 3.08Å; D1964-K1968 WeakPolarHBondContact OD2-CD 3.23Å; D1964-K1968 WeakPolarHBondContact OD2-CE 3.29Å; D1964-K1968 IonicContact OD2-NZ 3.03Å; D1964-K1968 PolarHBondContact OD2-NZ 3.35Å; Y1965-K1968 PolarHBondContact O-N 3.12Å
1969N79.9Confident83.8Confident81 Ų8172.8 Ų72.843%0.43340%0.404SS..Hα-helixtrans-105.80.4-174.9-62.1-53.8000113.9Y1965 V1971Y1965-N1969 VanDerWaalsContact CD2-ND2 3.27Å; Y1965-N1969 WeakPolarHBondContact CD2-ND2 3.44Å; Y1965-N1969 HydrophobicContact CE1-CB 4.31Å; Y1965-N1969 WeakPolarHBondContact CE1-ND2 3.5Å; Y1965-N1969 WeakPolarHBondContact CE2-ND2 3.3Å; Y1965-N1969 WeakPolarHBondContact O-CB 3.36Å; Y1965-N1969 PolarHBondContact O-N 3.28Å; Y1965-N1969 PolarHBondContact O-ND2 3.12Å; N1969-V1971 VanDerWaalsContact C-N 3.26Å; N1969-V1971 HydrophobicContact CB-CG2 4.09Å; N1969-V1971 PolarHBondContact O-N 3.08Å
1970N82.2Confident83.3Confident151 Ų15170.8 Ų70.881%0.80739%0.392SS*.THydrogen-bonded Turntrans53.839.4-175.6-59.9-44.7000113.4G1966G1966-N1970 CarbonylContact O-C 3.33Å; G1966-N1970 WeakPolarHBondContact O-CA 3.46Å; G1966-N1970 PolarHBondContact O-N 2.93Å
1971V77.3Confident82.9Confident51 Ų5171.4 Ų71.431%0.30940%0.395SS..  trans-107.7132.2179.1178.60000109.2G1966 N1969 V1973 S1975 L1976G1966-V1971 VanDerWaalsContact CA-O 3.23Å; G1966-V1971 WeakPolarHBondContact CA-O 3.19Å; G1966-V1971 PolarHBondContact O-N 2.85Å; G1966-V1971 VanDerWaalsContact O-N 3.1Å; N1969-V1971 VanDerWaalsContact C-N 3.26Å; N1969-V1971 HydrophobicContact CB-CG2 4.09Å; N1969-V1971 PolarHBondContact O-N 3.08Å; V1971-V1973 PolarHBondContact O-N 3.49Å; V1971-S1975 WeakPolarHBondContact CG1-OG 3.38Å; V1971-L1976 HydrophobicContact CG1-CD2 3.86Å; V1971-L1976 HydrophobicContact CG1-CG 4.31Å
1972N83.1Confident82.5Confident110 Ų11076.9 Ų76.959%0.58842%0.415SS*.  trans-65.2121.7171.9-175.8-5.3000108.9A1974 S1975N1972-A1974 PolarHBondContact O-N 2.84Å; N1972-A1974 PolarHBondContact OD1-N 3.4Å; N1972-A1974 VanDerWaalsContact OD1-N 3.14Å; N1972-S1975 WeakPolarHBondContact O-CB 3.4Å; N1972-S1975 PolarHBondContact O-N 3.48Å; N1972-S1975 PolarHBondContact O-OG 3.01Å
1973V83.5Confident82Confident66 Ų6676.7 Ų76.740%0.441%0.414SS..G310 helixtrans-56.9-25.8-179.4-65.10000113.1L1962 V1971 S1975L1962-V1973 HydrophobicContact CB-CG1 4.2Å; L1962-V1973 VanDerWaalsContact O-CG1 3.3Å; L1962-V1973 WeakPolarHBondContact O-CG1 3.41Å; V1971-V1973 PolarHBondContact O-N 3.49Å; V1973-S1975 VanDerWaalsContact C-N 3.28Å; V1973-S1975 PolarHBondContact O-N 3.47Å
1974A82.4Confident81.9Confident87 Ų8774.6 Ų74.672%0.71940%0.395SS*.G310 helixtrans-73.2-14.5175.900000114.2N1972N1972-A1974 PolarHBondContact O-N 2.84Å; N1972-A1974 PolarHBondContact OD1-N 3.4Å; N1972-A1974 VanDerWaalsContact OD1-N 3.14Å
1975S82Confident81.7Confident74 Ų7474 Ų7452%0.51739%0.392SS..G310 helixtrans-91.9-6-178.965.80000114.3V1971 N1972 V1973V1971-S1975 WeakPolarHBondContact CG1-OG 3.38Å; N1972-S1975 WeakPolarHBondContact O-CB 3.4Å; N1972-S1975 PolarHBondContact O-N 3.48Å; N1972-S1975 PolarHBondContact O-OG 3.01Å; V1973-S1975 VanDerWaalsContact C-N 3.28Å; V1973-S1975 PolarHBondContact O-N 3.47Å
1976L80.2Confident81.4Confident19 Ų1972.3 Ų72.310%0.09939%0.386CS..  trans-78.1129.6-177.5-63.2170.2000110.8L1962 V1971 E1980 I1981 I1984 I1990L1962-L1976 HydrophobicContact CD2-CD1 4.02Å; V1971-L1976 HydrophobicContact CG1-CD2 3.86Å; V1971-L1976 HydrophobicContact CG1-CG 4.31Å; L1976-E1980 HydrophobicContact CD2-CB 4.31Å; L1976-I1981 HydrophobicContact CB-CD1 4.27Å; L1976-I1981 HydrophobicContact CB-CG1 3.74Å; L1976-I1981 HydrophobicContact CD1-CG1 4.45Å; L1976-I1984 HydrophobicContact CD1-CD1 3.65Å; L1976-I1984 HydrophobicContact CD2-CD1 3.91Å; L1976-I1984 HydrophobicContact CG-CD1 4.37Å; L1976-I1990 HydrophobicContact CD2-CD1 4.3Å
1977T81.5Confident80.8Confident67 Ų6772.8 Ų72.841%0.41139%0.391SS..  trans-69.3160.8171.161.20000111.2S1979 E1980 I1981T1977-S1979 PolarHBondContact O-N 3.22Å; T1977-S1979 PolarHBondContact OG1-OG 3.14Å; T1977-E1980 WeakPolarHBondContact CB-OE2 3.37Å; T1977-E1980 PolarHBondContact N-OE2 3.08Å; T1977-E1980 PolarHBondContact O-N 3.3Å; T1977-E1980 VanDerWaalsContact O-N 3.08Å; T1977-E1980 WeakPolarHBondContact OG1-CB 3.41Å; T1977-E1980 WeakPolarHBondContact OG1-CG 3.41Å; T1977-E1980 PolarHBondContact OG1-N 3.04Å; T1977-E1980 PolarHBondContact OG1-OE2 3.23Å; T1977-I1981 WeakPolarHBondContact O-CG1 3.48Å; T1977-I1981 PolarHBondContact O-N 2.84Å
1978Q77.4Confident80.2Confident174 Ų17466.6 Ų66.681%0.81337%0.365SS*.Hα-helixtrans-63.5-31.7178.6-162.8165.24.600112.7R1982Q1978-R1982 WeakPolarHBondContact O-CB 3.11Å; Q1978-R1982 PolarHBondContact O-N 3.19Å; Q1978-R1982 VanDerWaalsContact O-N 3.08Å
1979S75.5Confident79.2Confident56 Ų5667.7 Ų67.739%0.39237%0.372SS..Hα-helixtrans-63.6-47.7169.3370000111.9T1977 R1982 D1983T1977-S1979 PolarHBondContact O-N 3.22Å; T1977-S1979 PolarHBondContact OG1-OG 3.14Å; S1979-R1982 WeakPolarHBondContact O-CB 3.17Å; S1979-R1982 PolarHBondContact O-N 2.69Å; S1979-D1983 WeakPolarHBondContact O-CB 3.45Å; S1979-D1983 PolarHBondContact O-N 3.43Å
1980E79Confident78.3Confident53 Ų5366.9 Ų66.925%0.24837%0.367CS..Hα-helixtrans-66.1-40.3179.3-71.7162.815300111.8L1976 T1977 R1982 D1983 I1984 I1990L1976-E1980 HydrophobicContact CD2-CB 4.31Å; T1977-E1980 WeakPolarHBondContact CB-OE2 3.37Å; T1977-E1980 PolarHBondContact N-OE2 3.08Å; T1977-E1980 PolarHBondContact O-N 3.3Å; T1977-E1980 VanDerWaalsContact O-N 3.08Å; T1977-E1980 WeakPolarHBondContact OG1-CB 3.41Å; T1977-E1980 WeakPolarHBondContact OG1-CG 3.41Å; T1977-E1980 PolarHBondContact OG1-N 3.04Å; T1977-E1980 PolarHBondContact OG1-OE2 3.23Å; E1980-R1982 VanDerWaalsContact C-N 3.31Å; E1980-R1982 PolarHBondContact O-N 2.7Å; E1980-D1983 PolarHBondContact O-N 3.15Å; E1980-I1984 WeakPolarHBondContact O-CB 3.22Å; E1980-I1984 WeakPolarHBondContact O-CD1 3.29Å; E1980-I1984 WeakPolarHBondContact O-CG1 3.48Å; E1980-I1984 PolarHBondContact O-N 3.08Å; E1980-I1990 HydrophobicContact CB-CD1 3.97Å; E1980-I1990 HydrophobicContact CG-CD1 3.94Å; E1980-I1990 HydrophobicContact CG-CG1 4.31Å; E1980-I1990 HydrophobicContact CG-CG2 4.28Å
1981I83.5Confident77Confident36 Ų3662.5 Ų62.519%0.18535%0.349CS..Hα-helixtrans-58.6-45.6174.1-69.1170.5000110.3L1962 L1976 T1977 D1983 I1984 I1985L1962-I1981 HydrophobicContact CD1-CG2 4.47Å; L1962-I1981 HydrophobicContact CD2-CG1 4.32Å; L1962-I1981 HydrophobicContact CD2-CG2 4.33Å; L1976-I1981 HydrophobicContact CB-CD1 4.27Å; L1976-I1981 HydrophobicContact CB-CG1 3.74Å; L1976-I1981 HydrophobicContact CD1-CG1 4.45Å; T1977-I1981 WeakPolarHBondContact O-CG1 3.48Å; T1977-I1981 PolarHBondContact O-N 2.84Å; I1981-D1983 VanDerWaalsContact C-N 3.35Å; I1981-I1984 PolarHBondContact O-N 3.18Å; I1981-I1985 HydrophobicContact CG2-CD1 3.9Å; I1981-I1985 VanDerWaalsContact O-CG1 3.28Å; I1981-I1985 WeakPolarHBondContact O-CG1 3.46Å; I1981-I1985 PolarHBondContact O-N 2.92Å; I1981-I1985 VanDerWaalsContact O-N 3.09Å
1982R82.4Confident75.6Confident119 Ų11962.6 Ų62.645%0.44936%0.355SS..Hα-helixtrans-61.3-45.7176.3-179.7-171.765.9-164.7-2.7110.9Q1978 S1979 E1980 I1984 I1985 L1986Q1978-R1982 WeakPolarHBondContact O-CB 3.11Å; Q1978-R1982 PolarHBondContact O-N 3.19Å; Q1978-R1982 VanDerWaalsContact O-N 3.08Å; S1979-R1982 WeakPolarHBondContact O-CB 3.17Å; S1979-R1982 PolarHBondContact O-N 2.69Å; E1980-R1982 VanDerWaalsContact C-N 3.31Å; E1980-R1982 PolarHBondContact O-N 2.7Å; R1982-I1984 PolarHBondContact O-N 3.29Å; R1982-I1985 PolarHBondContact O-N 3.46Å; R1982-L1986 HydrophobicContact CG-CD1 3.68Å; R1982-L1986 HydrophobicContact CG-CG 4.35Å; R1982-L1986 WeakPolarHBondContact O-CB 3.49Å; R1982-L1986 VanDerWaalsContact O-CG 3.31Å; R1982-L1986 WeakPolarHBondContact O-CG 3.45Å; R1982-L1986 PolarHBondContact O-N 3.03Å
1983D80Confident73.5Confident11 Ų1162 Ų626%0.05936%0.356CS..Hα-helixtrans-65.8-38.9-178.3-66.2-11000111.4S1979 E1980 I1981 L1986 G1987 M1988S1979-D1983 WeakPolarHBondContact O-CB 3.45Å; S1979-D1983 PolarHBondContact O-N 3.43Å; E1980-D1983 PolarHBondContact O-N 3.15Å; I1981-D1983 VanDerWaalsContact C-N 3.35Å; D1983-L1986 PolarHBondContact O-N 3.33Å; D1983-G1987 WeakPolarHBondContact O-CA 3.37Å; D1983-G1987 PolarHBondContact O-N 2.68Å; D1983-M1988 HydrophobicContact CB-CB 4.15Å; D1983-M1988 HydrophobicContact CB-CE 4.1Å; D1983-M1988 PolarHBondContact O-N 2.82Å; D1983-M1988 WeakPolarHBondContact OD2-CE 3.08Å
1984I84.3Confident71.6Confident12 Ų1262.8 Ų62.86%0.06237%0.365CS..Hα-helixtrans-61.8-46.6173.8-69.6161.7000111.1I1961 L1962 Y1965 L1976 E1980 I1981 R1982 G1987 I1990I1961-I1984 HydrophobicContact CG2-CG2 4.15Å; L1962-I1984 HydrophobicContact CD2-CD1 4.34Å; L1962-I1984 HydrophobicContact CD2-CG2 4.31Å; Y1965-I1984 HydrophobicContact CD1-CD1 3.45Å; Y1965-I1984 VanDerWaalsContact CD1-CD1 3.45Å; Y1965-I1984 HydrophobicContact CD1-CG1 3.97Å; Y1965-I1984 HydrophobicContact CD1-CG2 4.43Å; Y1965-I1984 HydrophobicContact CD2-CB 4.41Å; Y1965-I1984 HydrophobicContact CD2-CD1 4.3Å; Y1965-I1984 HydrophobicContact CD2-CG1 3.9Å; Y1965-I1984 HydrophobicContact CD2-CG2 3.71Å; Y1965-I1984 HydrophobicContact CE1-CD1 3.42Å; Y1965-I1984 VanDerWaalsContact CE1-CD1 3.42Å; Y1965-I1984 HydrophobicContact CE1-CG1 3.81Å; Y1965-I1984 HydrophobicContact CE2-CD1 4.27Å; Y1965-I1984 HydrophobicContact CE2-CG1 3.72Å; Y1965-I1984 HydrophobicContact CE2-CG2 4.33Å; Y1965-I1984 HydrophobicContact CG-CD1 3.91Å; Y1965-I1984 HydrophobicContact CG-CG1 4.02Å; Y1965-I1984 HydrophobicContact CG-CG2 3.76Å; L1976-I1984 HydrophobicContact CD1-CD1 3.65Å; L1976-I1984 HydrophobicContact CD2-CD1 3.91Å; L1976-I1984 HydrophobicContact CG-CD1 4.37Å; E1980-I1984 WeakPolarHBondContact O-CB 3.22Å; E1980-I1984 WeakPolarHBondContact O-CD1 3.29Å; E1980-I1984 WeakPolarHBondContact O-CG1 3.48Å; E1980-I1984 PolarHBondContact O-N 3.08Å; I1981-I1984 PolarHBondContact O-N 3.18Å; R1982-I1984 PolarHBondContact O-N 3.29Å; I1984-G1987 PolarHBondContact O-N 2.83Å; I1984-I1990 HydrophobicContact CD1-CD1 4.2Å; I1984-I1990 HydrophobicContact CG1-CD1 4.31Å
1985I85.3Confident70Confident24 Ų2464.6 Ų64.612%0.12336%0.359CS..Hα-helixtrans-66.6-44.3180-66.8167.1000110.1I1911 L1912 R1915 K1958 I1981 R1982 G1987I1911-I1985 HydrophobicContact CG2-CG2 4.48Å; L1912-I1985 HydrophobicContact CD2-CD1 4.3Å; L1912-I1985 HydrophobicContact CD2-CG1 4.42Å; L1912-I1985 HydrophobicContact CD2-CG2 3.95Å; L1912-I1985 HydrophobicContact CG-CG2 4.41Å; R1915-I1985 VanDerWaalsContact CD-O 3.3Å; R1915-I1985 WeakPolarHBondContact CD-O 3.49Å; R1915-I1985 PolarHBondContact NH1-O 3.49Å; R1915-I1985 VanDerWaalsContact NH1-O 3.11Å; K1958-I1985 HydrophobicContact CG-CD1 4.39Å; I1981-I1985 HydrophobicContact CG2-CD1 3.9Å; I1981-I1985 VanDerWaalsContact O-CG1 3.28Å; I1981-I1985 WeakPolarHBondContact O-CG1 3.46Å; I1981-I1985 PolarHBondContact O-N 2.92Å; I1981-I1985 VanDerWaalsContact O-N 3.09Å; R1982-I1985 PolarHBondContact O-N 3.46Å; I1985-G1987 VanDerWaalsContact C-N 3.31Å; I1985-G1987 PolarHBondContact O-N 2.71Å
1986L79.4Confident68.2Low14 Ų1465 Ų657%0.07335%0.352CS..Hα-helixtrans-75.6-16.8179.9-65.3176.6000113.5Y1742 L1863 R1915 R1982 D1983Y1742-L1986 HydrophobicContact CE2-CD2 3.82Å; L1863-L1986 HydrophobicContact CD2-CB 4.14Å; R1915-L1986 PolarHBondContact NH1-O 3.41Å; R1982-L1986 HydrophobicContact CG-CD1 3.68Å; R1982-L1986 HydrophobicContact CG-CG 4.35Å; R1982-L1986 WeakPolarHBondContact O-CB 3.49Å; R1982-L1986 VanDerWaalsContact O-CG 3.31Å; R1982-L1986 WeakPolarHBondContact O-CG 3.45Å; R1982-L1986 PolarHBondContact O-N 3.03Å; D1983-L1986 PolarHBondContact O-N 3.33Å
1987G72.2Confident66.8Low19 Ų1973.4 Ų73.420%0.19638%0.383CS..THydrogen-bonded Turntrans90.636.7173.400000115.1Q1864 D1983 I1984 I1985Q1864-G1987 PolarHBondContact N-O 3.06Å; D1983-G1987 WeakPolarHBondContact O-CA 3.37Å; D1983-G1987 PolarHBondContact O-N 2.68Å; I1984-G1987 PolarHBondContact O-N 2.83Å; I1985-G1987 VanDerWaalsContact C-N 3.31Å; I1985-G1987 PolarHBondContact O-N 2.71Å
1988M71.1Confident65.2Low40 Ų4076.6 Ų76.620%0.19739%0.393CS..PPolyproline II helixtrans-100144.7171.7-163.3169.47400110.6L1863 D1983L1863-M1988 HydrophobicContact CD2-CB 4.21Å; D1983-M1988 HydrophobicContact CB-CB 4.15Å; D1983-M1988 HydrophobicContact CB-CE 4.1Å; D1983-M1988 PolarHBondContact O-N 2.82Å; D1983-M1988 WeakPolarHBondContact OD2-CE 3.08Å
1989E61Low64Low157 Ų15774.5 Ų74.573%0.73438%0.383SS*.PPolyproline II helixtrans-81.5131.6178.6-70.4179.4178.700110.9S1991E1989-S1991 PolarHBondContact O-N 2.96Å
1990I60.6Low62.9Low64 Ų6475.8 Ų75.833%0.32839%0.385SS..PPolyproline II helixtrans-67.4120.3179.4-58.2179.5000109.3Y1965 L1976 E1980 I1984Y1965-I1990 HydrophobicContact CE1-CD1 4.04Å; Y1965-I1990 WeakPolarHBondContact OH-CD1 3.11Å; Y1965-I1990 WeakPolarHBondContact OH-CG1 3.39Å; L1976-I1990 HydrophobicContact CD2-CD1 4.3Å; E1980-I1990 HydrophobicContact CB-CD1 3.97Å; E1980-I1990 HydrophobicContact CG-CD1 3.94Å; E1980-I1990 HydrophobicContact CG-CG1 4.31Å; E1980-I1990 HydrophobicContact CG-CG2 4.28Å; I1984-I1990 HydrophobicContact CD1-CD1 4.2Å; I1984-I1990 HydrophobicContact CG1-CD1 4.31Å
1991S55.3Low61.9Low60 Ų6075.6 Ų75.642%0.4239%0.392SS..PPolyproline II helixtrans-94.9153.2179.2-51.90000111.5E1989E1989-S1991 PolarHBondContact O-N 2.96Å
1992A47.9Very low60.7Low53 Ų5378.3 Ų78.344%0.43841%0.407SS..PPolyproline II helixtrans-62.6137.7176.600000111.7S1994 Q1995A1992-S1994 PolarHBondContact O-N 2.97Å; A1992-Q1995 PolarHBondContact O-N 3.49Å; A1992-Q1995 VanDerWaalsContact O-N 3.15Å
1993P38.6Very low59.5Low96 Ų9677.1 Ų77.162%0.62341%0.409SS*.Hα-helixtrans-55.9-23.7-174.5-26.232.3000115.4R1997P1993-R1997 PolarHBondContact O-N 3.08Å
1994S43.3Very low58.3Low84 Ų8482.4 Ų82.459%0.58743%0.433SS*.Hα-helixtrans-72.8-39.1-179.4560000113.6A1992 Q1998A1992-S1994 PolarHBondContact O-N 2.97Å; S1994-Q1998 PolarHBondContact O-N 3.39Å
1995Q49.1Very low56.9Low125 Ų12588.7 Ų88.758%0.58446%0.46SS*.Hα-helixtrans-74.6-34.8178.2-78.6-178.7-18.500111.8A1992 Q1998 Q1999A1992-Q1995 PolarHBondContact O-N 3.49Å; A1992-Q1995 VanDerWaalsContact O-N 3.15Å; Q1995-Q1998 PolarHBondContact O-N 3.1Å; Q1995-Q1999 PolarHBondContact O-N 3.32Å
1996Q43.7Very low55.4Low81 Ų8193.8 Ų93.838%0.37948%0.483SS..Hα-helixtrans-62.5-45.7172.4-96.7-179.4-16.200111.8Q1998 Q1999 I2000Q1996-Q1998 VanDerWaalsContact C-N 3.27Å; Q1996-Q1998 PolarHBondContact O-N 3.3Å; Q1996-Q1999 PolarHBondContact O-N 3.04Å; Q1996-I2000 HydrophobicContact CB-CD1 4.48Å; Q1996-I2000 WeakPolarHBondContact O-CB 3.36Å; Q1996-I2000 WeakPolarHBondContact O-CD1 3.4Å; Q1996-I2000 WeakPolarHBondContact O-CG1 3.34Å; Q1996-I2000 PolarHBondContact O-N 3.02Å
1997R50.6Low54Low196 Ų19695.7 Ų95.774%0.7450%0.501SS*.Hα-helixtrans-61-35.7176.9-80.2-176.2-174.7177.52.2112.9P1993 A2001P1993-R1997 PolarHBondContact O-N 3.08Å; R1997-A2001 VanDerWaalsContact O-CB 3.25Å; R1997-A2001 WeakPolarHBondContact O-CB 3.3Å; R1997-A2001 PolarHBondContact O-N 3.04Å
1998Q49Very low52.7Low135 Ų135102.9 Ų102.963%0.63153%0.527SS*.Hα-helixtrans-71.1-43.4179-125.5169.2100111.9S1994 Q1995 Q1996 A2001 D2002S1994-Q1998 PolarHBondContact O-N 3.39Å; Q1995-Q1998 PolarHBondContact O-N 3.1Å; Q1996-Q1998 VanDerWaalsContact C-N 3.27Å; Q1996-Q1998 PolarHBondContact O-N 3.3Å; Q1998-A2001 PolarHBondContact O-N 3.44Å; Q1998-D2002 PolarHBondContact O-N 3.02Å
1999Q51.5Low51.7Low129 Ų129108.9 Ų108.960%0.60355%0.554SS**Hα-helixtrans-66.8-39.1173.7-76.3-179.9-16.700112.5Q1995 Q1996 D2002 I2003Q1995-Q1999 PolarHBondContact O-N 3.32Å; Q1996-Q1999 PolarHBondContact O-N 3.04Å; Q1999-D2002 PolarHBondContact O-N 3.47Å; Q1999-I2003 WeakPolarHBondContact O-CB 3.3Å; Q1999-I2003 WeakPolarHBondContact O-CD1 3.31Å; Q1999-I2003 WeakPolarHBondContact O-CG1 3.5Å; Q1999-I2003 PolarHBondContact O-N 3.08Å
2000I53.1Low51Low84 Ų84109.2 Ų109.243%0.43156%0.556SS.*Hα-helixtrans-63.7-42.5174.8-67.6163.3000110.1Q1996 I2003 E2004Q1996-I2000 HydrophobicContact CB-CD1 4.48Å; Q1996-I2000 WeakPolarHBondContact O-CB 3.36Å; Q1996-I2000 WeakPolarHBondContact O-CD1 3.4Å; Q1996-I2000 WeakPolarHBondContact O-CG1 3.34Å; Q1996-I2000 PolarHBondContact O-N 3.02Å; I2000-I2003 PolarHBondContact O-N 3.44Å; I2000-E2004 HydrophobicContact CG2-CG 4.36Å; I2000-E2004 VanDerWaalsContact O-CB 3.27Å; I2000-E2004 WeakPolarHBondContact O-CB 3.26Å; I2000-E2004 WeakPolarHBondContact O-CG 3.1Å; I2000-E2004 PolarHBondContact O-N 2.77Å
2001A58.3Low49.9Very low48 Ų48110.3 Ų110.340%0.39757%0.569SS.*Hα-helixtrans-65.7-36.917700000113R1997 Q1998 K2005R1997-A2001 VanDerWaalsContact O-CB 3.25Å; R1997-A2001 WeakPolarHBondContact O-CB 3.3Å; R1997-A2001 PolarHBondContact O-N 3.04Å; Q1998-A2001 PolarHBondContact O-N 3.44Å; A2001-K2005 WeakPolarHBondContact O-CB 3.2Å; A2001-K2005 PolarHBondContact O-N 3.29Å
2002D57.9Low49.1Very low94 Ų94116.4 Ų116.450%0.50359%0.591SS.*Hα-helixtrans-74-36.9176.9-73.7-22.1000112.1Q1998 Q1999 K2005 Q2006Q1998-D2002 PolarHBondContact O-N 3.02Å; Q1999-D2002 PolarHBondContact O-N 3.47Å; D2002-K2005 PolarHBondContact O-N 3.3Å; D2002-Q2006 WeakPolarHBondContact O-CG 3.4Å; D2002-Q2006 PolarHBondContact O-N 3.37Å
2003I56.4Low48.6Very low93 Ų93121.9 Ų121.948%0.47761%0.612SS.*Hα-helixtrans-69.5-41.5173.4-67.7165.5000110.8Q1999 I2000 K2005 Q2006 A2007Q1999-I2003 WeakPolarHBondContact O-CB 3.3Å; Q1999-I2003 WeakPolarHBondContact O-CD1 3.31Å; Q1999-I2003 WeakPolarHBondContact O-CG1 3.5Å; Q1999-I2003 PolarHBondContact O-N 3.08Å; I2000-I2003 PolarHBondContact O-N 3.44Å; I2003-K2005 VanDerWaalsContact C-N 3.34Å; I2003-Q2006 PolarHBondContact O-N 3.2Å; I2003-A2007 WeakPolarHBondContact O-CB 3.48Å; I2003-A2007 PolarHBondContact O-N 2.92Å
2004E55.4Low48.5Very low122 Ų122124.5 Ų124.557%0.5763%0.626SS**Hα-helixtrans-66.3-34.2174-81.6-173.5158.400112.2I2000 K2008I2000-E2004 HydrophobicContact CG2-CG 4.36Å; I2000-E2004 VanDerWaalsContact O-CB 3.27Å; I2000-E2004 WeakPolarHBondContact O-CB 3.26Å; I2000-E2004 WeakPolarHBondContact O-CG 3.1Å; I2000-E2004 PolarHBondContact O-N 2.77Å; E2004-K2008 WeakPolarHBondContact O-CB 3.38Å; E2004-K2008 PolarHBondContact O-N 2.88Å
2005K55.9Low48.6Very low144 Ų144122.9 Ų122.963%0.62662%0.618SS**Hα-helixtrans-65.2-47172.2-108.1-177.8170.8-177.20111.8A2001 D2002 I2003 K2008 E2009A2001-K2005 WeakPolarHBondContact O-CB 3.2Å; A2001-K2005 PolarHBondContact O-N 3.29Å; D2002-K2005 PolarHBondContact O-N 3.3Å; I2003-K2005 VanDerWaalsContact C-N 3.34Å; K2005-K2008 PolarHBondContact O-N 2.96Å; K2005-E2009 PolarHBondContact O-N 3.42Å; K2005-E2009 VanDerWaalsContact O-N 3.1Å
2006Q53.2Low48.2Very low131 Ų131121.9 Ų121.961%0.61262%0.621SS**Hα-helixtrans-68.8-34.8177.8-76-178.2-15.400112.5D2002 I2003 E2009 Q2010D2002-Q2006 WeakPolarHBondContact O-CG 3.4Å; D2002-Q2006 PolarHBondContact O-N 3.37Å; I2003-Q2006 PolarHBondContact O-N 3.2Å; Q2006-E2009 PolarHBondContact O-N 3.46Å; Q2006-Q2010 PolarHBondContact O-N 2.81Å
2007A49.5Very low48.4Very low54 Ų54122.4 Ų122.445%0.44663%0.63SS.*Hα-helixtrans-70.3-35.8175.400000112.6I2003 S2011I2003-A2007 WeakPolarHBondContact O-CB 3.48Å; I2003-A2007 PolarHBondContact O-N 2.92Å; A2007-S2011 VanDerWaalsContact O-CB 3.31Å; A2007-S2011 WeakPolarHBondContact O-CB 3.1Å; A2007-S2011 PolarHBondContact O-N 3.4Å; A2007-S2011 PolarHBondContact O-OG 3Å
2008K46.3Very low48.3Very low170 Ų170116.8 Ų116.874%0.73962%0.617SS**Hα-helixtrans-71.5-30.6173.6-90.1179.3172.8171.90113.7E2004 K2005 S2011E2004-K2008 WeakPolarHBondContact O-CB 3.38Å; E2004-K2008 PolarHBondContact O-N 2.88Å; K2005-K2008 PolarHBondContact O-N 2.96Å; K2008-S2011 PolarHBondContact O-OG 2.84Å
2009E48.8Very low48Very low166 Ų166118.7 Ų118.778%0.77662%0.619SS**Hα-helixtrans-79.7-19.7175.9-76.2179.1173.200113K2005 Q2006K2005-E2009 PolarHBondContact O-N 3.42Å; K2005-E2009 VanDerWaalsContact O-N 3.1Å; Q2006-E2009 PolarHBondContact O-N 3.46Å
2010Q47.2Very low47.8Very low165 Ų165116.4 Ų116.477%0.77161%0.614SS**Hα-helixtrans-97-7.5176.1-76.6-177.6-13.900114.8Q2006 Q2012Q2006-Q2010 PolarHBondContact O-N 2.81Å; Q2010-Q2012 VanDerWaalsContact C-N 3.34Å; Q2010-Q2012 PolarHBondContact O-N 3.38Å
2011S37.7Very low47.3Very low86 Ų86117.2 Ų117.260%0.60162%0.622SS**  trans-85.221.2-17159.20000116.7A2007 K2008A2007-S2011 VanDerWaalsContact O-CB 3.31Å; A2007-S2011 WeakPolarHBondContact O-CB 3.1Å; A2007-S2011 PolarHBondContact O-N 3.4Å; A2007-S2011 PolarHBondContact O-OG 3Å; K2008-S2011 PolarHBondContact O-OG 2.84Å
2012Q37.9Very low47.1Very low188 Ų188117.6 Ų117.688%0.87962%0.618SS**  trans-112.870.3171.9-77.3-171.6-8.800111.8Q2010Q2010-Q2012 VanDerWaalsContact C-N 3.34Å; Q2010-Q2012 PolarHBondContact O-N 3.38Å
2013L36.4Very low46.2Very low169 Ų169123.3 Ų123.389%0.88564%0.638SS**  trans-150.9101.7163.2-97.4152000107.8A2015L2013-A2015 PolarHBondContact O-N 3.44Å
2014T38.3Very low45.8Very low150 Ų150126.8 Ų126.892%0.9265%0.652SS**  trans-75110.9-175.115.10000111.5
2015A44.9Very low45.4Very low50 Ų50123.5 Ų123.541%0.41365%0.651SS.*  trans-89.3121.3166.900000109.7L2013 T2031 T2033L2013-A2015 PolarHBondContact O-N 3.44Å; A2015-T2031 HydrophobicContact CB-CG2 4.17Å; A2015-T2033 HydrophobicContact CB-CG2 4.13Å
2016T41.3Very low45Very low104 Ų104121.5 Ų121.564%0.63865%0.647SS**EExtended strand (participates in β ladder)trans-85.9116.2176.77.70000110.3T2032T2016-T2032 PolarHBondContact O-OG1 3.08Å
2017T47.6Very low44.5Very low92 Ų92121 Ų12156%0.56465%0.645SS**EExtended strand (participates in β ladder)trans-92.7115.6173.347.80000110.5S2030 T2031T2017-S2030 WeakPolarHBondContact CA-O 3.4Å; T2017-T2031 HydrophobicContact CG2-CG2 3.8Å
2018T47.6Very low44.2Very low79 Ų79122.7 Ų122.749%0.48565%0.645SS.*EExtended strand (participates in β ladder)trans-104.1124.9174.528.60000110.9S2030T2018-S2030 PolarHBondContact N-O 3.45Å; T2018-S2030 VanDerWaalsContact N-O 3.08Å; T2018-S2030 PolarHBondContact O-N 2.94Å; T2018-S2030 PolarHBondContact O-OG 3.35Å; T2018-S2030 VanDerWaalsContact O-OG 3.07Å; T2018-S2030 PolarHBondContact OG1-OG 2.65Å; T2018-S2030 VanDerWaalsContact OG1-OG 3.13Å
2019R43.8Very low44.1Very low175 Ų175119.7 Ų119.766%0.6664%0.637SS**EExtended strand (participates in β ladder)trans-89.5120.9172.5-107179.7161.7170.9-8.7109.2E2027 I2029R2019-E2027 IonicContact CZ-OE1 3.69Å; R2019-E2027 IonicContact CZ-OE2 2.79Å; R2019-E2027 IonicContact NE-OE2 3.85Å; R2019-E2027 PolarHBondContact NE-OE2 3.31Å; R2019-E2027 IonicContact NH2-OE1 2.83Å; R2019-E2027 IonicContact NH2-OE2 2.74Å; R2019-E2027 PolarHBondContact NH2-OE2 3.41Å; R2019-I2029 HydrophobicContact CG-CG1 4.34Å
2020T46.9Very low43.8Very low80 Ų80113.9 Ų113.949%0.49161%0.614SS.*EExtended strand (participates in β ladder)trans-135.5140.3175.449.70000110.7I2028T2020-I2028 PolarHBondContact N-O 3.45Å; T2020-I2028 VanDerWaalsContact N-O 3.13Å; T2020-I2028 PolarHBondContact O-N 3.08Å
2021V42.8Very low43.7Very low102 Ų102110.1 Ų110.162%0.61860%0.602SS**EExtended strand (participates in β ladder)trans-106.2133.3-176.4-171.80000108.6
2022N54.1Low44.1Very low55 Ų55108.6 Ų108.629%0.29459%0.59SS.*  trans-77.2174.6176.670.78.7000111.7H2024 G2025 D2026N2022-H2024 PolarHBondContact O-N 2.96Å; N2022-H2024 VanDerWaalsContact OD1-CA 3.24Å; N2022-H2024 WeakPolarHBondContact OD1-CA 3.5Å; N2022-H2024 WeakPolarHBondContact OD1-CB 3.25Å; N2022-H2024 PolarHBondContact OD1-N 2.88Å; N2022-G2025 PolarHBondContact O-N 3.41Å; N2022-G2025 PolarHBondContact OD1-N 3.26Å; N2022-D2026 PolarHBondContact N-O 3.1Å; N2022-D2026 PolarHBondContact ND2-OD2 3.45Å; N2022-D2026 PolarHBondContact OD1-N 3.46Å
2023K39Very low44.8Very low214 Ų214105.1 Ų105.193%0.9358%0.581SS**THydrogen-bonded Turntrans-63.6-0.9174.7-142.3179.4-175.9-176.60113.8
2024H47.1Very low45.3Very low166 Ų16699 Ų9977%0.76955%0.553SS**THydrogen-bonded Turntrans-117.7-0.6-177.1-64.3-66.3000114.5N2022N2022-H2024 PolarHBondContact O-N 2.96Å; N2022-H2024 VanDerWaalsContact OD1-CA 3.24Å; N2022-H2024 WeakPolarHBondContact OD1-CA 3.5Å; N2022-H2024 WeakPolarHBondContact OD1-CB 3.25Å; N2022-H2024 PolarHBondContact OD1-N 2.88Å
2025G46.5Very low45.5Very low54 Ų5499 Ų9956%0.55755%0.547SS*.  trans88.86.8176.500000116.9N2022N2022-G2025 PolarHBondContact O-N 3.41Å; N2022-G2025 PolarHBondContact OD1-N 3.26Å
2026D47.5Very low45.4Very low102 Ų102104 Ų10455%0.54556%0.556SS.*PPolyproline II helixtrans-85.3131.3178.2-58.9-50.5000112N2022 I2028N2022-D2026 PolarHBondContact N-O 3.1Å; N2022-D2026 PolarHBondContact ND2-OD2 3.45Å; N2022-D2026 PolarHBondContact OD1-N 3.46Å; D2026-I2028 PolarHBondContact O-N 3.29Å
2027E43.9Very low45.6Very low120 Ų120104.9 Ų104.956%0.56155%0.553SS**EExtended strand (participates in β ladder)trans-74.9116.1175-73.8-165173.100111.4R2019R2019-E2027 IonicContact CZ-OE1 3.69Å; R2019-E2027 IonicContact CZ-OE2 2.79Å; R2019-E2027 IonicContact NE-OE2 3.85Å; R2019-E2027 PolarHBondContact NE-OE2 3.31Å; R2019-E2027 IonicContact NH2-OE1 2.83Å; R2019-E2027 IonicContact NH2-OE2 2.74Å; R2019-E2027 PolarHBondContact NH2-OE2 3.41Å
2028I42.1Very low45.4Very low89 Ų89105.4 Ų105.446%0.45656%0.557SS.*EExtended strand (participates in β ladder)trans-102.5119.7169.9-57.5175.1000108.8T2020 D2026T2020-I2028 PolarHBondContact N-O 3.45Å; T2020-I2028 VanDerWaalsContact N-O 3.13Å; T2020-I2028 PolarHBondContact O-N 3.08Å; D2026-I2028 PolarHBondContact O-N 3.29Å
2029I45.8Very low45.1Very low108 Ų108108 Ų10855%0.55457%0.567SS**EExtended strand (participates in β ladder)trans-99.6113.5173-56.7173.5000107.4R2019R2019-I2029 HydrophobicContact CG-CG1 4.34Å
2030S42Very low44.8Very low44 Ų44105.9 Ų105.931%0.30856%0.564SS.*EExtended strand (participates in β ladder)trans-110.9124.3177.4590000110.5T2017 T2018T2017-S2030 WeakPolarHBondContact CA-O 3.4Å; T2018-S2030 PolarHBondContact N-O 3.45Å; T2018-S2030 VanDerWaalsContact N-O 3.08Å; T2018-S2030 PolarHBondContact O-N 2.94Å; T2018-S2030 PolarHBondContact O-OG 3.35Å; T2018-S2030 VanDerWaalsContact O-OG 3.07Å; T2018-S2030 PolarHBondContact OG1-OG 2.65Å; T2018-S2030 VanDerWaalsContact OG1-OG 3.13Å
2031T43.7Very low43.8Very low85 Ų85112.1 Ų112.152%0.52159%0.585SS.*EExtended strand (participates in β ladder)trans-111.9112.9179.3-41.70000108.7A2015 T2017A2015-T2031 HydrophobicContact CB-CG2 4.17Å; T2017-T2031 HydrophobicContact CG2-CG2 3.8Å
2032T47.3Very low43.1Very low54 Ų54112.2 Ų112.233%0.33159%0.59SS.*EExtended strand (participates in β ladder)trans-100.8127.8-17936.60000110.9T2016T2016-T2032 PolarHBondContact O-OG1 3.08Å
2033T52.3Low41.9Very low115 Ų115114.8 Ų114.871%0.70661%0.613SS**  trans-125.3-4.6-173.254.90000114.8A2015A2015-T2033 HydrophobicContact CB-CG2 4.13Å
2034S46.2Very low42.1Very low42 Ų42112.3 Ų112.329%0.29460%0.602SS.*  trans-131.6140.1-179.876.60000112.7Y2036 E2037 T2038S2034-Y2036 PolarHBondContact O-N 3.02Å; S2034-Y2036 VanDerWaalsContact O-N 3.11Å; S2034-E2037 PolarHBondContact O-N 3.44Å; S2034-E2037 WeakPolarHBondContact OG-CB 3.28Å; S2034-E2037 VanDerWaalsContact OG-CD 3.3Å; S2034-E2037 VanDerWaalsContact OG-CG 3.25Å; S2034-E2037 WeakPolarHBondContact OG-CG 3.34Å; S2034-E2037 PolarHBondContact OG-N 2.99Å; S2034-E2037 PolarHBondContact OG-OE2 3.18Å; S2034-T2038 PolarHBondContact O-OG1 3.36Å
2035N43.6Very low42Very low148 Ų148109.6 Ų109.679%0.79160%0.597SS**THydrogen-bonded Turntrans-62.3-13.3173.4-80.8-10.9000113.2L2039N2035-L2039 VanDerWaalsContact O-CD1 3.27Å; N2035-L2039 WeakPolarHBondContact O-CD1 3.47Å
2036Y42.2Very low42.4Very low155 Ų155109.7 Ų109.761%0.60858%0.583SS**THydrogen-bonded Turntrans-88-35.1-177.6-172.5-99000112.4S2034 T2038 L2039S2034-Y2036 PolarHBondContact O-N 3.02Å; S2034-Y2036 VanDerWaalsContact O-N 3.11Å; Y2036-T2038 VanDerWaalsContact C-N 3.3Å; Y2036-T2038 PolarHBondContact O-N 2.82Å; Y2036-L2039 PolarHBondContact O-N 2.98Å
2037E45Very low43.2Very low123 Ų123107.4 Ų107.458%0.57557%0.567SS**THydrogen-bonded Turntrans-72.8-20.9178.4-76.4166.6151.300113.1S2034 L2039S2034-E2037 PolarHBondContact O-N 3.44Å; S2034-E2037 WeakPolarHBondContact OG-CB 3.28Å; S2034-E2037 VanDerWaalsContact OG-CD 3.3Å; S2034-E2037 VanDerWaalsContact OG-CG 3.25Å; S2034-E2037 WeakPolarHBondContact OG-CG 3.34Å; S2034-E2037 PolarHBondContact OG-N 2.99Å; S2034-E2037 PolarHBondContact OG-OE2 3.18Å; E2037-L2039 VanDerWaalsContact C-N 3.27Å; E2037-L2039 PolarHBondContact O-N 2.78Å
2038T43.4Very low44.3Very low104 Ų104108.1 Ų108.164%0.63856%0.564SS**THydrogen-bonded Turntrans-75.7-11.9171.2-2.20000113.6S2034 Y2036S2034-T2038 PolarHBondContact O-OG1 3.36Å; Y2036-T2038 VanDerWaalsContact C-N 3.3Å; Y2036-T2038 PolarHBondContact O-N 2.82Å
2039L42.9Very low45.5Very low134 Ų134108 Ų10870%0.70257%0.567SS**SBendtrans-106.9-8-168.1-85.6164.7000115.3N2035 Y2036 E2037N2035-L2039 VanDerWaalsContact O-CD1 3.27Å; N2035-L2039 WeakPolarHBondContact O-CD1 3.47Å; Y2036-L2039 PolarHBondContact O-N 2.98Å; E2037-L2039 VanDerWaalsContact C-N 3.27Å; E2037-L2039 PolarHBondContact O-N 2.78Å
2040H35.8Very low46.7Very low130 Ų130105 Ų10560%0.60255%0.549SS*.  trans-135.987.2-171.3-91.2-83.6000114.1
2041F26Very low48.2Very low210 Ų210104 Ų10492%0.92154%0.543SS*.  trans-162.2112156.7-123.5-87.6000112.2
2042S28.1Very low49.8Very low105 Ų105105.2 Ų105.273%0.73455%0.545SS*.  trans148.382.9143.159.10000114.5
2043S30.6Very low51.1Low109 Ų109104.4 Ų104.476%0.76254%0.542SS*.  trans-150.664.7167.166.80000114.5
2044K41.7Very low52.2Low162 Ų16299.6 Ų99.670%0.70451%0.514SS*.SBendtrans-135.5-11.3158.4-85.4-169.5-179.9174.80115.6D1576D1576-K2044 IonicContact OD2-NZ 3.97Å; D1576-K2044 PolarHBondContact OD2-NZ 3.29Å
2045T45Very low53.6Low109 Ų109101.3 Ų101.367%0.66952%0.523SS*.SBendtrans-113.2-11-178.538.30000115.4V2049T2045-V2049 WeakPolarHBondContact O-CG2 3.41Å; T2045-V2049 PolarHBondContact O-N 2.89Å
2046E55Low55.4Low56 Ų5698.2 Ų98.226%0.26251%0.506SS..Hα-helixtrans-72.6-38.9-163.9-146.6-160.2172.100114R2048 V2049 R2050 R2095E2046-R2048 VanDerWaalsContact C-N 3.33Å; E2046-R2048 PolarHBondContact O-N 3.28Å; E2046-V2049 PolarHBondContact O-N 3.35Å; E2046-R2050 VanDerWaalsContact O-CB 3.23Å; E2046-R2050 WeakPolarHBondContact O-CB 3.38Å; E2046-R2050 WeakPolarHBondContact O-CG 3.14Å; E2046-R2050 PolarHBondContact O-N 3.36Å; E2046-R2050 IonicContact OE1-CZ 3.17Å; E2046-R2050 IonicContact OE1-NE 2.65Å; E2046-R2050 IonicContact OE1-NH2 2.84Å; E2046-R2050 IonicContact OE2-CZ 2.79Å; E2046-R2050 IonicContact OE2-NE 3.07Å; E2046-R2050 IonicContact OE2-NH2 2.94Å; E2046-R2050 PolarHBondContact OE2-NH2 3.23Å; E2046-R2095 WeakPolarHBondContact OE1-CD 3.37Å; E2046-R2095 IonicContact OE1-CZ 2.77Å; E2046-R2095 VanDerWaalsContact OE1-CZ 3.24Å; E2046-R2095 IonicContact OE1-NE 3.01Å; E2046-R2095 PolarHBondContact OE1-NE 2.93Å; E2046-R2095 IonicContact OE1-NH1 3.35Å; E2046-R2095 PolarHBondContact OE1-NH1 3.43Å
2047W64.1Low57Low54 Ų5490.9 Ų90.921%0.20548%0.477CS..Hα-helixtrans-68.9-29.4-177.772.7-97.8000113A2051 F2254 Y2276 H2284W2047-A2051 WeakPolarHBondContact O-CB 3.48Å; W2047-A2051 PolarHBondContact O-N 3.1Å; W2047-F2254 HydrophobicContact CB-CE1 4.41Å; W2047-Y2276 HydrophobicContact CB-CE1 4.29Å; W2047-Y2276 WeakPolarHBondContact O-CE1 3.42Å; W2047-H2284 AromaticContact CD1-NE2 3.83Å; W2047-H2284 AromaticContact CD2-CE1 3.81Å; W2047-H2284 AromaticContact CE2-CE1 3.99Å; W2047-H2284 AromaticContact CE2-NE2 3.8Å; W2047-H2284 AromaticContact CG-CE1 3.93Å; W2047-H2284 AromaticContact NE1-NE2 3.67Å
2048R66.6Low58.6Low134 Ų13491.2 Ų91.251%0.50647%0.474SS..Hα-helixtrans-73.3-47.5177.1-75.3-173.9-179.6179.51111E2046 R2050 A2051 I2052E2046-R2048 VanDerWaalsContact C-N 3.33Å; E2046-R2048 PolarHBondContact O-N 3.28Å; R2048-R2050 VanDerWaalsContact C-N 3.26Å; R2048-R2050 PolarHBondContact O-N 2.77Å; R2048-A2051 PolarHBondContact O-N 2.84Å; R2048-I2052 VanDerWaalsContact O-CG1 3.31Å; R2048-I2052 WeakPolarHBondContact O-CG1 3.42Å; R2048-I2052 PolarHBondContact O-N 3.03Å
2049V67.9Low60.2Low86 Ų8690 Ų9052%0.52146%0.464SS..Hα-helixtrans-58.5-44.2173.9174.90000109.8T2045 E2046 I2052 S2053T2045-V2049 WeakPolarHBondContact O-CG2 3.41Å; T2045-V2049 PolarHBondContact O-N 2.89Å; E2046-V2049 PolarHBondContact O-N 3.35Å; V2049-I2052 PolarHBondContact O-N 2.85Å; V2049-S2053 WeakPolarHBondContact O-CB 3.42Å; V2049-S2053 PolarHBondContact O-N 3.16Å; V2049-S2053 PolarHBondContact O-OG 3.17Å
2050R72.4Confident61.9Low47 Ų4785.8 Ų85.818%0.17744%0.438CS..Hα-helixtrans-68.8-34.8177.1-71.9-169.6-86.4166-13.6113.3E2046 R2048 S2053 A2054 D2093 T2096 Y2276E2046-R2050 VanDerWaalsContact O-CB 3.23Å; E2046-R2050 WeakPolarHBondContact O-CB 3.38Å; E2046-R2050 WeakPolarHBondContact O-CG 3.14Å; E2046-R2050 PolarHBondContact O-N 3.36Å; E2046-R2050 IonicContact OE1-CZ 3.17Å; E2046-R2050 IonicContact OE1-NE 2.65Å; E2046-R2050 IonicContact OE1-NH2 2.84Å; E2046-R2050 IonicContact OE2-CZ 2.79Å; E2046-R2050 IonicContact OE2-NE 3.07Å; E2046-R2050 IonicContact OE2-NH2 2.94Å; E2046-R2050 PolarHBondContact OE2-NH2 3.23Å; R2048-R2050 VanDerWaalsContact C-N 3.26Å; R2048-R2050 PolarHBondContact O-N 2.77Å; R2050-S2053 PolarHBondContact O-N 2.61Å; R2050-A2054 WeakPolarHBondContact O-CA 3.38Å; R2050-A2054 WeakPolarHBondContact O-CB 3.42Å; R2050-A2054 PolarHBondContact O-N 3.32Å; R2050-D2093 IonicContact NH1-OD2 3Å; R2050-D2093 PolarHBondContact NH1-OD2 3.33Å; R2050-D2093 VanDerWaalsContact NH1-OD2 3.1Å; R2050-T2096 PolarHBondContact NH1-OG1 3.27Å; R2050-Y2276 HydrophobicContact CB-CE2 4.37Å; R2050-Y2276 WeakPolarHBondContact CB-OH 3.2Å
2051A73.2Confident63.7Low21 Ų2180.2 Ų80.217%0.17441%0.413CS..Hα-helixtrans-66-44.8173.900000112.3W2047 R2048 S2053 A2054 T2055 Y2276W2047-A2051 WeakPolarHBondContact O-CB 3.48Å; W2047-A2051 PolarHBondContact O-N 3.1Å; R2048-A2051 PolarHBondContact O-N 2.84Å; A2051-S2053 VanDerWaalsContact C-N 3.32Å; A2051-A2054 PolarHBondContact O-N 2.9Å; A2051-T2055 PolarHBondContact O-N 3.48Å; A2051-T2055 VanDerWaalsContact O-N 3.12Å; A2051-T2055 PolarHBondContact O-OG1 3.19Å; A2051-T2055 VanDerWaalsContact O-OG1 3.05Å; A2051-Y2276 HydrophobicContact CB-CD1 3.72Å; A2051-Y2276 HydrophobicContact CB-CD2 4.01Å; A2051-Y2276 HydrophobicContact CB-CE1 4.1Å; A2051-Y2276 HydrophobicContact CB-CE2 4.37Å; A2051-Y2276 HydrophobicContact CB-CG 3.7Å
2052I76.7Confident66.1Low111 Ų11175.8 Ų75.857%0.56940%0.4SS*.Hα-helixtrans-63.2-42.7175-66.3165.5000110.1R2048 V2049 A2054 T2055R2048-I2052 VanDerWaalsContact O-CG1 3.31Å; R2048-I2052 WeakPolarHBondContact O-CG1 3.42Å; R2048-I2052 PolarHBondContact O-N 3.03Å; V2049-I2052 PolarHBondContact O-N 2.85Å; I2052-A2054 VanDerWaalsContact C-N 3.33Å; I2052-A2054 PolarHBondContact O-N 3.5Å; I2052-T2055 VanDerWaalsContact C-OG1 3.25Å; I2052-T2055 WeakPolarHBondContact CA-OG1 3.16Å; I2052-T2055 WeakPolarHBondContact O-CB 3.32Å; I2052-T2055 PolarHBondContact O-N 3.47Å; I2052-T2055 PolarHBondContact O-OG1 3.04Å
2053S74Confident68.6Low38 Ų3874.8 Ų74.827%0.26639%0.386SS..Hα-helixtrans-71.2-31.1179-550000111.8V2049 R2050 A2051 T2055 N2056V2049-S2053 WeakPolarHBondContact O-CB 3.42Å; V2049-S2053 PolarHBondContact O-N 3.16Å; V2049-S2053 PolarHBondContact O-OG 3.17Å; R2050-S2053 PolarHBondContact O-N 2.61Å; A2051-S2053 VanDerWaalsContact C-N 3.32Å; S2053-T2055 VanDerWaalsContact C-N 3.29Å; S2053-T2055 PolarHBondContact O-N 2.7Å; S2053-N2056 WeakPolarHBondContact O-CB 3.44Å; S2053-N2056 PolarHBondContact O-N 3.35Å; S2053-N2056 VanDerWaalsContact O-N 3.07Å
2054A76.2Confident70.8Confident14 Ų1471.4 Ų71.412%0.11636%0.359CS..Hα-helixtrans-67.9-28.8173.600000112R2050 A2051 I2052 N2056 L2057 Y2276R2050-A2054 WeakPolarHBondContact O-CA 3.38Å; R2050-A2054 WeakPolarHBondContact O-CB 3.42Å; R2050-A2054 PolarHBondContact O-N 3.32Å; A2051-A2054 PolarHBondContact O-N 2.9Å; I2052-A2054 VanDerWaalsContact C-N 3.33Å; I2052-A2054 PolarHBondContact O-N 3.5Å; A2054-N2056 PolarHBondContact O-N 3.41Å; A2054-L2057 HydrophobicContact CB-CD1 3.75Å; A2054-L2057 VanDerWaalsContact O-CB 3.28Å; A2054-L2057 WeakPolarHBondContact O-CB 3.33Å; A2054-L2057 WeakPolarHBondContact O-CD1 3.35Å; A2054-L2057 WeakPolarHBondContact O-CG 3.42Å; A2054-L2057 PolarHBondContact O-N 2.9Å; A2054-L2057 VanDerWaalsContact O-N 3.11Å; A2054-Y2276 HydrophobicContact CB-CD2 3.79Å; A2054-Y2276 HydrophobicContact CB-CE2 3.78Å
2055T75.6Confident72.6Confident78 Ų7870.5 Ų70.548%0.47935%0.352SS..Hα-helixtrans-61.8-24.1169.91.30000112.9A2051 I2052 S2053 Y2058A2051-T2055 PolarHBondContact O-N 3.48Å; A2051-T2055 VanDerWaalsContact O-N 3.12Å; A2051-T2055 PolarHBondContact O-OG1 3.19Å; A2051-T2055 VanDerWaalsContact O-OG1 3.05Å; I2052-T2055 VanDerWaalsContact C-OG1 3.25Å; I2052-T2055 WeakPolarHBondContact CA-OG1 3.16Å; I2052-T2055 WeakPolarHBondContact O-CB 3.32Å; I2052-T2055 PolarHBondContact O-N 3.47Å; I2052-T2055 PolarHBondContact O-OG1 3.04Å; S2053-T2055 VanDerWaalsContact C-N 3.29Å; S2053-T2055 PolarHBondContact O-N 2.7Å; T2055-Y2058 WeakPolarHBondContact O-CD1 3.21Å; T2055-Y2058 WeakPolarHBondContact O-CE1 3.33Å
2056N80.1Confident74Confident82 Ų8267.5 Ų67.544%0.43933%0.334SS..THydrogen-bonded Turntrans-89.30.3177.2-66.1-18.4000113.1S2053 A2054 Y2058 L2059S2053-N2056 WeakPolarHBondContact O-CB 3.44Å; S2053-N2056 PolarHBondContact O-N 3.35Å; S2053-N2056 VanDerWaalsContact O-N 3.07Å; A2054-N2056 PolarHBondContact O-N 3.41Å; N2056-Y2058 PolarHBondContact O-N 2.89Å; N2056-L2059 HydrophobicContact CB-CD1 4.1Å; N2056-L2059 VanDerWaalsContact O-CB 3.29Å; N2056-L2059 WeakPolarHBondContact O-CB 3.49Å; N2056-L2059 PolarHBondContact O-N 2.82Å
2057L75.8Confident74.7Confident1 Ų166.9 Ų66.91%0.00534%0.335CS..Hα-helixtrans-62-28.6-179.5-76.5163.6000112.7A2054 L2059 R2060 T2061 I2089 S2092 L2094 F2189A2054-L2057 HydrophobicContact CB-CD1 3.75Å; A2054-L2057 VanDerWaalsContact O-CB 3.28Å; A2054-L2057 WeakPolarHBondContact O-CB 3.33Å; A2054-L2057 WeakPolarHBondContact O-CD1 3.35Å; A2054-L2057 WeakPolarHBondContact O-CG 3.42Å; A2054-L2057 PolarHBondContact O-N 2.9Å; A2054-L2057 VanDerWaalsContact O-N 3.11Å; L2057-L2059 PolarHBondContact O-N 3.2Å; L2057-R2060 WeakPolarHBondContact O-CB 3.21Å; L2057-R2060 PolarHBondContact O-N 3.42Å; L2057-R2060 VanDerWaalsContact O-N 3.14Å; L2057-T2061 PolarHBondContact O-N 2.99Å; L2057-I2089 HydrophobicContact CB-CG2 4.24Å; L2057-I2089 WeakPolarHBondContact CD1-O 3.3Å; L2057-I2089 HydrophobicContact CD2-CG2 4.34Å; L2057-S2092 WeakPolarHBondContact CD1-O 3.27Å; L2057-L2094 HydrophobicContact CD2-CD2 3.74Å; L2057-L2094 HydrophobicContact CD2-CG 4.08Å; L2057-F2189 HydrophobicContact CD2-CD1 4.27Å; L2057-F2189 HydrophobicContact CD2-CE1 3.95Å; L2057-F2189 HydrophobicContact CD2-CZ 4.16Å
2058Y79.5Confident74.6Confident130 Ų13069.5 Ų69.551%0.5136%0.362SS..Hα-helixtrans-63.2-29.2174.178.5-87.5000112.3T2055 N2056 R2060 T2061T2055-Y2058 WeakPolarHBondContact O-CD1 3.21Å; T2055-Y2058 WeakPolarHBondContact O-CE1 3.33Å; N2056-Y2058 PolarHBondContact O-N 2.89Å; Y2058-R2060 VanDerWaalsContact C-N 3.29Å; Y2058-R2060 PolarHBondContact O-N 3.29Å; Y2058-T2061 WeakPolarHBondContact O-CB 3.35Å; Y2058-T2061 PolarHBondContact O-N 3.46Å; Y2058-T2061 PolarHBondContact O-OG1 3.47Å
2059L78Confident74.3Confident80 Ų8067.8 Ų67.842%0.41936%0.363SS..Hα-helixtrans-67.2-33.7176.2-62.6170.7000111.4N2056 L2057 T2061 N2062N2056-L2059 HydrophobicContact CB-CD1 4.1Å; N2056-L2059 VanDerWaalsContact O-CB 3.29Å; N2056-L2059 WeakPolarHBondContact O-CB 3.49Å; N2056-L2059 PolarHBondContact O-N 2.82Å; L2057-L2059 PolarHBondContact O-N 3.2Å; L2059-T2061 PolarHBondContact O-N 3.46Å; L2059-N2062 WeakPolarHBondContact O-CB 3.4Å; L2059-N2062 PolarHBondContact O-N 2.96Å
2060R76.9Confident73.7Confident45 Ų4571.6 Ų71.617%0.1738%0.38CS..Hα-helixtrans-69.7-22.5176.1-55.5-167.9-179.9-151.31.2112.4L2057 Y2058 N2062 N2063 F2189 T2190 V2194L2057-R2060 WeakPolarHBondContact O-CB 3.21Å; L2057-R2060 PolarHBondContact O-N 3.42Å; L2057-R2060 VanDerWaalsContact O-N 3.14Å; Y2058-R2060 VanDerWaalsContact C-N 3.29Å; Y2058-R2060 PolarHBondContact O-N 3.29Å; R2060-N2062 PolarHBondContact O-N 3.24Å; R2060-N2063 CarbonylContact O-C 3.49Å; R2060-N2063 PolarHBondContact O-N 3.43Å; R2060-F2189 VanDerWaalsContact NH1-CB 3.33Å; R2060-F2189 PolarHBondContact NH1-O 3.43Å; R2060-T2190 PolarHBondContact NH1-O 3.27Å; R2060-V2194 HydrophobicContact CB-CG2 3.68Å
2061T74.8Confident72.9Confident12 Ų1275.2 Ų75.27%0.07440%0.402CS..THydrogen-bonded Turntrans-70.8-8.9175.974.30000114.1L2057 Y2058 L2059 I2064 K2086 I2089 T2090L2057-T2061 PolarHBondContact O-N 2.99Å; Y2058-T2061 WeakPolarHBondContact O-CB 3.35Å; Y2058-T2061 PolarHBondContact O-N 3.46Å; Y2058-T2061 PolarHBondContact O-OG1 3.47Å; L2059-T2061 PolarHBondContact O-N 3.46Å; T2061-I2064 VanDerWaalsContact O-CD1 3.28Å; T2061-I2064 WeakPolarHBondContact O-CD1 3.47Å; T2061-K2086 HydrophobicContact CG2-CB 4.47Å; T2061-K2086 HydrophobicContact CG2-CG 4.28Å; T2061-I2089 HydrophobicContact CG2-CB 3.83Å; T2061-I2089 HydrophobicContact CG2-CD1 4.03Å; T2061-I2089 HydrophobicContact CG2-CG2 3.65Å; T2061-T2090 HydrophobicContact CG2-CG2 4.44Å
2062N76.3Confident72Confident118 Ų11880.6 Ų80.663%0.63142%0.421SS*.THydrogen-bonded Turntrans-82.1-31.9172.3-66.3-18.3000112L2059 R2060L2059-N2062 WeakPolarHBondContact O-CB 3.4Å; L2059-N2062 PolarHBondContact O-N 2.96Å; R2060-N2062 PolarHBondContact O-N 3.24Å
2063N80.4Confident71Confident84 Ų8483.7 Ų83.745%0.44943%0.433SS..SBendtrans-113.985.9-176.8-64-27.4000109.7R2060 G2192 S2193 V2194R2060-N2063 CarbonylContact O-C 3.49Å; R2060-N2063 PolarHBondContact O-N 3.43Å; N2063-G2192 PolarHBondContact ND2-O 2.86Å; N2063-G2192 VanDerWaalsContact ND2-O 3.15Å; N2063-S2193 CarbonylContact O-C 3.49Å; N2063-S2193 WeakPolarHBondContact O-CA 3.2Å; N2063-S2193 VanDerWaalsContact O-CB 3.24Å; N2063-S2193 WeakPolarHBondContact O-CB 3.39Å; N2063-V2194 PolarHBondContact O-N 3.3Å
2064I75.7Confident70.6Confident38 Ų3889.3 Ų89.320%0.19546%0.461CS..EExtended strand (participates in β ladder)trans-106.9115.2-179.4-59.7161.5000108.4T2061 V2066 L2085 V2194 L2196 L2234T2061-I2064 VanDerWaalsContact O-CD1 3.28Å; T2061-I2064 WeakPolarHBondContact O-CD1 3.47Å; I2064-V2066 HydrophobicContact CG2-CG2 4.46Å; I2064-L2085 HydrophobicContact CD1-CD2 3.8Å; I2064-L2085 HydrophobicContact CG1-CD2 4.47Å; I2064-L2085 HydrophobicContact CG2-CD2 4.14Å; I2064-V2194 CarbonylContact C-O 3.57Å; I2064-V2194 WeakPolarHBondContact CA-O 3.42Å; I2064-L2196 HydrophobicContact CG2-CD1 3.41Å; I2064-L2196 VanDerWaalsContact CG2-CD1 3.41Å; I2064-L2196 HydrophobicContact CG2-CG 4.48Å; I2064-L2234 HydrophobicContact CG2-CD1 3.56Å
2065Y79.6Confident70.1Confident142 Ų14289.7 Ų89.756%0.55747%0.465SS*.EExtended strand (participates in β ladder)trans-94.7122.4170.9-63.5-73.9000108.4S2193 V2194 S2195 L2196Y2065-S2193 VanDerWaalsContact CE2-CB 3.43Å; Y2065-V2194 PolarHBondContact N-O 3.16Å; Y2065-S2195 CarbonylContact O-C 3.43Å; Y2065-S2195 VanDerWaalsContact O-CA 3.31Å; Y2065-S2195 WeakPolarHBondContact O-CA 3.4Å; Y2065-L2196 PolarHBondContact O-N 3.33Å
2066V75.3Confident70.2Confident47 Ų4788.9 Ų88.929%0.28545%0.454SS..EExtended strand (participates in β ladder)trans-97.7118.6168.71780000105.5I2064 S2068 L2196 M2232 L2234I2064-V2066 HydrophobicContact CG2-CG2 4.46Å; V2066-S2068 PolarHBondContact O-N 2.68Å; V2066-L2196 HydrophobicContact CG2-CD1 4.36Å; V2066-M2232 HydrophobicContact CB-CE 4.41Å; V2066-M2232 HydrophobicContact CG1-CE 3.7Å; V2066-M2232 WeakPolarHBondContact CG1-O 3.25Å; V2066-M2232 HydrophobicContact CG2-CE 4.01Å; V2066-L2234 HydrophobicContact CG2-CD1 3.44Å; V2066-L2234 VanDerWaalsContact CG2-CD1 3.44Å
2067S68.7Low70.1Confident43 Ų4385.9 Ų85.930%0.30144%0.439SS..  trans-65.7104.1177.4-179.70000108.4L2196 C2197S2067-L2196 WeakPolarHBondContact CB-O 3.35Å; S2067-L2196 PolarHBondContact N-O 2.84Å; S2067-C2197 WeakPolarHBondContact CB-SG 3.43Å
2068S63.4Low70.5Confident109 Ų10986 Ų8676%0.76244%0.439SS*.  trans-96.383.4173.955.70000108.5V2066V2066-S2068 PolarHBondContact O-N 2.68Å
2069D58.9Low70.8Confident98 Ų9880.8 Ų80.852%0.52442%0.42SS..  trans-93.5164.5163.2-81.4-10.8000110.1I2071 R2229D2069-I2071 PolarHBondContact O-N 3.19Å; D2069-R2229 IonicContact OD2-CZ 2.7Å; D2069-R2229 IonicContact OD2-NH1 2.7Å; D2069-R2229 PolarHBondContact OD2-NH1 2.95Å
2070D55.3Low71.2Confident166 Ų16677 Ų7789%0.88840%0.4SS*.  trans-38.5122.3-170.6-68.1-33.8000115.1K2072D2070-K2072 PolarHBondContact O-N 3.23Å
2071I55.7Low71.7Confident123 Ų12374.8 Ų74.863%0.63139%0.392SS*.  trans-69.2117.7-179.6-57.1165.5000109D2069D2069-I2071 PolarHBondContact O-N 3.19Å
2072K54.9Low72.1Confident133 Ų13377.1 Ų77.158%0.57840%0.401SS*.  trans-85.9117.7165.3-84179.7171.2-176.60109.9D2070 N2074 G2075 E2228D2070-K2072 PolarHBondContact O-N 3.23Å; K2072-N2074 PolarHBondContact O-N 3.3Å; K2072-G2075 PolarHBondContact O-N 3.16Å; K2072-G2075 VanDerWaalsContact O-N 3.14Å; K2072-E2228 WeakPolarHBondContact CD-OE1 3.28Å; K2072-E2228 WeakPolarHBondContact CE-OE1 3.25Å; K2072-E2228 IonicContact NZ-OE1 3.18Å; K2072-E2228 PolarHBondContact NZ-OE1 2.99Å; K2072-E2228 IonicContact NZ-OE2 2.67Å
2073E56.8Low72.6Confident176 Ų17673.9 Ų73.982%0.82238%0.384SS*.THydrogen-bonded Turntrans-56.4-16.7-174.9-66.2-178.4158.400115.5
2074N63.7Low73Confident157 Ų15769.9 Ų69.984%0.8436%0.362SS*.THydrogen-bonded Turntrans-104.87.1-178-70.8-16.5000114.7K2072K2072-N2074 PolarHBondContact O-N 3.3Å
2075G65.7Low73.5Confident21 Ų2168.1 Ų68.122%0.21635%0.353CS..SBendtrans-92.2143.5-178.800000113.3K2072 T2077K2072-G2075 PolarHBondContact O-N 3.16Å; K2072-G2075 VanDerWaalsContact O-N 3.14Å; G2075-T2077 PolarHBondContact O-N 3.24Å
2076Y77.8Confident73.8Confident61 Ų6165.3 Ų65.324%0.23934%0.344CS..PPolyproline II helixtrans-59.4135.7168.4-68.2-77.3000110.8Y2078 Q2112 K2114 K2181 V2230Y2076-Y2078 WeakPolarHBondContact O-CD2 3.44Å; Y2076-Y2078 WeakPolarHBondContact O-CE2 3.11Å; Y2076-Q2112 WeakPolarHBondContact CA-O 3.3Å; Y2076-K2114 HydrophobicContact CD1-CD 4.38Å; Y2076-K2114 HydrophobicContact CD1-CG 4.03Å; Y2076-K2114 HydrophobicContact CG-CG 4.28Å; Y2076-K2181 HydrophobicContact CE2-CG 4.01Å; Y2076-V2230 VanDerWaalsContact O-CG1 3.3Å; Y2076-V2230 WeakPolarHBondContact O-CG1 3.44Å
2077T77.8Confident74.4Confident20 Ų2065.9 Ų65.912%0.12334%0.343CS..EExtended strand (participates in β ladder)trans-92.9116.1172.5-48.90000109.3G2075 Q2112 I2113 K2114 Q2231 L2233G2075-T2077 PolarHBondContact O-N 3.24Å; T2077-Q2112 PolarHBondContact N-O 2.78Å; T2077-I2113 CarbonylContact O-C 3.45Å; T2077-I2113 WeakPolarHBondContact O-CA 3.4Å; T2077-K2114 PolarHBondContact O-N 3.48Å; T2077-Q2231 HydrophobicContact CG2-CB 4.4Å; T2077-Q2231 HydrophobicContact CG2-CG 3.99Å; T2077-Q2231 PolarHBondContact OG1-OE1 3.25Å; T2077-L2233 HydrophobicContact CG2-CD1 3.61Å; T2077-L2233 HydrophobicContact CG2-CG 3.92Å
2078Y85.1Confident75.4Confident2 Ų263.9 Ų63.91%0.00833%0.328CS..EExtended strand (participates in β ladder)trans-92.8126-179.3-64.6-97.3000110.8Y2076 K2114 L2149 K2181 I2183 V2230 Q2231 M2232 L2233Y2076-Y2078 WeakPolarHBondContact O-CD2 3.44Å; Y2076-Y2078 WeakPolarHBondContact O-CE2 3.11Å; Y2078-K2114 CarbonylContact C-O 3.6Å; Y2078-K2114 WeakPolarHBondContact CA-O 3.29Å; Y2078-K2114 HydrophobicContact CD1-CB 3.64Å; Y2078-K2114 HydrophobicContact CD1-CG 4.21Å; Y2078-K2114 HydrophobicContact CE1-CB 3.89Å; Y2078-K2114 HydrophobicContact CE1-CG 3.96Å; Y2078-K2114 HydrophobicContact CG-CB 4.27Å; Y2078-L2149 HydrophobicContact CE1-CB 4.27Å; Y2078-L2149 HydrophobicContact CE1-CD2 4.23Å; Y2078-K2181 PolarHBondContact OH-O 3.16Å; Y2078-I2183 HydrophobicContact CD1-CD1 3.44Å; Y2078-I2183 VanDerWaalsContact CD1-CD1 3.44Å; Y2078-I2183 HydrophobicContact CD1-CG1 3.88Å; Y2078-I2183 HydrophobicContact CD2-CD1 3.72Å; Y2078-I2183 HydrophobicContact CD2-CG1 4.44Å; Y2078-I2183 HydrophobicContact CD2-CG2 4.07Å; Y2078-I2183 HydrophobicContact CE1-CD1 3.85Å; Y2078-I2183 HydrophobicContact CE1-CG1 3.77Å; Y2078-I2183 HydrophobicContact CE1-CG2 4.07Å; Y2078-I2183 HydrophobicContact CE2-CD1 4.13Å; Y2078-I2183 HydrophobicContact CE2-CG1 4.37Å; Y2078-I2183 HydrophobicContact CE2-CG2 3.42Å; Y2078-I2183 VanDerWaalsContact CE2-CG2 3.42Å; Y2078-I2183 HydrophobicContact CG-CD1 3.36Å; Y2078-I2183 HydrophobicContact CG-CG1 4.22Å; Y2078-I2183 VanDerWaalsContact CZ-CG2 3.41Å; Y2078-V2230 HydrophobicContact CD2-CG1 3.94Å; Y2078-V2230 HydrophobicContact CE2-CG1 3.69Å; Y2078-Q2231 PolarHBondContact N-O 2.91Å; Y2078-M2232 CarbonylContact O-C 3.55Å; Y2078-M2232 VanDerWaalsContact O-CA 3.28Å; Y2078-M2232 WeakPolarHBondContact O-CA 3.19Å; Y2078-L2233 PolarHBondContact O-N 2.98Å
2079I86.7Confident76.5Confident21 Ų2158.7 Ų58.711%0.10829%0.292CS..EExtended strand (participates in β ladder)trans-103.3114.6177.5-56.9-178.1000109.5I2113 K2114 E2115 I2116 L2233 F2238I2079-I2113 HydrophobicContact CD1-CG2 3.23Å; I2079-I2113 HydrophobicContact CG1-CG2 3.72Å; I2079-K2114 PolarHBondContact N-O 3.3Å; I2079-E2115 HydrophobicContact CB-CG 4.32Å; I2079-E2115 HydrophobicContact CD1-CG 4.27Å; I2079-I2116 WeakPolarHBondContact O-CB 3.26Å; I2079-I2116 PolarHBondContact O-N 3.04Å; I2079-L2233 CarbonylContact C-O 3.56Å; I2079-L2233 WeakPolarHBondContact CA-O 3.34Å; I2079-L2233 HydrophobicContact CG1-CB 4.38Å; I2079-F2238 HydrophobicContact CB-CE1 4.35Å; I2079-F2238 HydrophobicContact CB-CZ 4.27Å; I2079-F2238 HydrophobicContact CG2-CE1 3.57Å; I2079-F2238 HydrophobicContact CG2-CZ 3.78Å
2080L85.5Confident77.8Confident0 Ų055.6 Ų55.60%028%0.277CS..EExtended strand (participates in β ladder)trans-100.3120177-173.269.7000110.9K2082 I2084 L2085 I2116 I2152 M2232 L2233 L2234 S2235L2080-K2082 PolarHBondContact O-N 3.07Å; L2080-I2084 HydrophobicContact CD1-CD1 3.91Å; L2080-I2084 HydrophobicContact CD1-CG1 4.08Å; L2080-L2085 HydrophobicContact CD2-CB 3.91Å; L2080-L2085 HydrophobicContact CD2-CD1 3.84Å; L2080-L2085 HydrophobicContact CD2-CD2 4.29Å; L2080-L2085 HydrophobicContact CD2-CG 4.2Å; L2080-L2085 HydrophobicContact CG-CB 4.34Å; L2080-I2116 HydrophobicContact CB-CD1 4.15Å; L2080-I2116 HydrophobicContact CD1-CB 4.18Å; L2080-I2116 HydrophobicContact CD1-CD1 3.6Å; L2080-I2116 HydrophobicContact CD1-CG1 4.5Å; L2080-I2116 HydrophobicContact CD1-CG2 3.98Å; L2080-I2116 HydrophobicContact CG-CD1 4.48Å; L2080-I2152 HydrophobicContact CD2-CD1 4.25Å; L2080-M2232 HydrophobicContact CD2-SD 4.34Å; L2080-L2233 PolarHBondContact N-O 2.87Å; L2080-L2234 WeakPolarHBondContact O-CA 3.37Å; L2080-S2235 PolarHBondContact O-N 3.45Å
2081P87.3Confident79.4Confident0 Ų047.7 Ų47.70%024%0.235CC..EExtended strand (participates in β ladder)trans-60.5133171.5-30.937.9000113.4N2083 I2084 L2085 I2116 S2235 F2238P2081-N2083 WeakPolarHBondContact CB-OD1 3.33Å; P2081-N2083 PolarHBondContact O-N 2.93Å; P2081-I2084 HydrophobicContact CB-CD1 4.02Å; P2081-I2084 HydrophobicContact CB-CG1 3.98Å; P2081-I2084 HydrophobicContact CG-CD1 3.94Å; P2081-I2084 HydrophobicContact CG-CG1 4.44Å; P2081-I2084 VanDerWaalsContact O-CG1 3.31Å; P2081-I2084 WeakPolarHBondContact O-CG1 3.28Å; P2081-I2084 PolarHBondContact O-N 2.98Å; P2081-L2085 PolarHBondContact O-N 2.95Å; P2081-I2116 WeakPolarHBondContact CD-O 3.46Å; P2081-I2116 WeakPolarHBondContact CG-O 3.38Å; P2081-S2235 WeakPolarHBondContact CA-O 3.4Å; P2081-F2238 HydrophobicContact CB-CE2 4.42Å; P2081-F2238 HydrophobicContact CG-CD2 3.53Å; P2081-F2238 HydrophobicContact CG-CE1 4.47Å; P2081-F2238 HydrophobicContact CG-CE2 3.11Å; P2081-F2238 HydrophobicContact CG-CG 4.39Å; P2081-F2238 HydrophobicContact CG-CZ 3.62Å
2082K84.2Confident80.9Confident60 Ų6041.9 Ų41.926%0.26121%0.205SC..Hα-helixtrans-64.2-27.5178.8-161.1176.9-170.71670112.5L2080 K2086 L2234 S2235 D2236L2080-K2082 PolarHBondContact O-N 3.07Å; K2082-K2086 HydrophobicContact CG-CD 4.15Å; K2082-K2086 HydrophobicContact CG-CG 4.33Å; K2082-K2086 WeakPolarHBondContact O-CB 3.41Å; K2082-K2086 WeakPolarHBondContact O-CG 3.35Å; K2082-K2086 PolarHBondContact O-N 3.49Å; K2082-L2234 HydrophobicContact CB-CD2 3.79Å; K2082-L2234 HydrophobicContact CG-CD2 3.78Å; K2082-S2235 PolarHBondContact N-O 3.44Å; K2082-D2236 WeakPolarHBondContact CB-OD1 3.45Å; K2082-D2236 WeakPolarHBondContact CD-OD1 3.42Å; K2082-D2236 WeakPolarHBondContact CD-OD2 3.45Å; K2082-D2236 IonicContact NZ-OD1 2.78Å; K2082-D2236 IonicContact NZ-OD2 2.72Å; K2082-D2236 PolarHBondContact NZ-OD2 3.36Å
2083N86.9Confident82.3Confident51 Ų5135.6 Ų35.627%0.27318%0.177SC..Hα-helixtrans-68.6-42.5-179.274.6-47.6000112.2P2081 K2087 L2239 G2240P2081-N2083 WeakPolarHBondContact CB-OD1 3.33Å; P2081-N2083 PolarHBondContact O-N 2.93Å; N2083-K2087 WeakPolarHBondContact O-CB 3.29Å; N2083-K2087 PolarHBondContact O-N 3.3Å; N2083-K2087 VanDerWaalsContact O-N 3.11Å; N2083-L2239 HydrophobicContact CB-CD2 3.68Å; N2083-G2240 PolarHBondContact ND2-N 3Å; N2083-G2240 PolarHBondContact ND2-O 3.33Å; N2083-G2240 PolarHBondContact OD1-N 3.26Å
2084I87.4Confident83.4Confident0 Ų028.4 Ų28.40%015%0.145CC..Hα-helixtrans-74-38.517866.7-170000111.1L2080 P2081 K2087 F2088 I2116 I2119 G2240 F2242L2080-I2084 HydrophobicContact CD1-CD1 3.91Å; L2080-I2084 HydrophobicContact CD1-CG1 4.08Å; P2081-I2084 HydrophobicContact CB-CD1 4.02Å; P2081-I2084 HydrophobicContact CB-CG1 3.98Å; P2081-I2084 HydrophobicContact CG-CD1 3.94Å; P2081-I2084 HydrophobicContact CG-CG1 4.44Å; P2081-I2084 VanDerWaalsContact O-CG1 3.31Å; P2081-I2084 WeakPolarHBondContact O-CG1 3.28Å; P2081-I2084 PolarHBondContact O-N 2.98Å; I2084-K2087 PolarHBondContact O-N 3.39Å; I2084-F2088 VanDerWaalsContact O-CB 3.29Å; I2084-F2088 WeakPolarHBondContact O-CB 3.26Å; I2084-F2088 PolarHBondContact O-N 2.93Å; I2084-I2116 HydrophobicContact CD1-CG2 3.77Å; I2084-I2119 HydrophobicContact CB-CD1 3.83Å; I2084-I2119 HydrophobicContact CB-CG1 4.34Å; I2084-I2119 HydrophobicContact CD1-CD1 3.95Å; I2084-I2119 HydrophobicContact CD1-CG1 3.95Å; I2084-I2119 HydrophobicContact CG1-CD1 3.78Å; I2084-I2119 HydrophobicContact CG1-CG1 4.3Å; I2084-G2240 VanDerWaalsContact CG2-CA 3.41Å; I2084-G2240 WeakPolarHBondContact CG2-O 3.46Å; I2084-F2242 HydrophobicContact CB-CE2 3.87Å; I2084-F2242 HydrophobicContact CB-CZ 4.15Å; I2084-F2242 HydrophobicContact CG2-CD2 4.4Å; I2084-F2242 HydrophobicContact CG2-CE2 4.01Å; I2084-F2242 VanDerWaalsContact O-CZ 3.31Å; I2084-F2242 WeakPolarHBondContact O-CZ 3.32Å
2085L86.6Confident84.1Confident0 Ų027.6 Ų27.60%013%0.13CC..Hα-helixtrans-61-50.2173.5177.168.7000111.7I2064 L2080 P2081 K2087 F2088 I2089 L2196 L2234I2064-L2085 HydrophobicContact CD1-CD2 3.8Å; I2064-L2085 HydrophobicContact CG1-CD2 4.47Å; I2064-L2085 HydrophobicContact CG2-CD2 4.14Å; L2080-L2085 HydrophobicContact CD2-CB 3.91Å; L2080-L2085 HydrophobicContact CD2-CD1 3.84Å; L2080-L2085 HydrophobicContact CD2-CD2 4.29Å; L2080-L2085 HydrophobicContact CD2-CG 4.2Å; L2080-L2085 HydrophobicContact CG-CB 4.34Å; P2081-L2085 PolarHBondContact O-N 2.95Å; L2085-K2087 PolarHBondContact O-N 3.2Å; L2085-F2088 PolarHBondContact O-N 3.43Å; L2085-F2088 VanDerWaalsContact O-N 3.14Å; L2085-I2089 HydrophobicContact CD1-CD1 3.78Å; L2085-I2089 HydrophobicContact CD1-CG1 4.14Å; L2085-I2089 HydrophobicContact CD2-CD1 4.3Å; L2085-I2089 HydrophobicContact CG-CD1 3.69Å; L2085-I2089 HydrophobicContact CG-CG1 4.43Å; L2085-I2089 WeakPolarHBondContact O-CG1 3.17Å; L2085-I2089 PolarHBondContact O-N 3.19Å; L2085-L2196 HydrophobicContact CD1-CD1 4.14Å; L2085-L2196 HydrophobicContact CD1-CD2 3.9Å; L2085-L2196 HydrophobicContact CD2-CD1 3.63Å; L2085-L2234 HydrophobicContact CD2-CD1 3.78Å; L2085-L2234 HydrophobicContact CD2-CD2 3.68Å; L2085-L2234 HydrophobicContact CD2-CG 4.14Å
2086K86.7Confident84.9Confident83 Ų8327.1 Ų27.136%0.36112%0.123SC..Hα-helixtrans-51.7-47.2175.9-85.2173.3171.7-178.70110.3T2061 K2082 T2090T2061-K2086 HydrophobicContact CG2-CB 4.47Å; T2061-K2086 HydrophobicContact CG2-CG 4.28Å; K2082-K2086 HydrophobicContact CG-CD 4.15Å; K2082-K2086 HydrophobicContact CG-CG 4.33Å; K2082-K2086 WeakPolarHBondContact O-CB 3.41Å; K2082-K2086 WeakPolarHBondContact O-CG 3.35Å; K2082-K2086 PolarHBondContact O-N 3.49Å; K2086-T2090 WeakPolarHBondContact O-CG2 3.48Å; K2086-T2090 PolarHBondContact O-N 2.91Å; K2086-T2090 PolarHBondContact O-OG1 3.29Å
2087K87.1Confident85.3Confident60 Ų6024.4 Ų24.426%0.26111%0.112SC..Hα-helixtrans-68.1-43.4-179.6-172.964.9-178.8170.90111.9N2083 I2084 L2085 I2089 T2090 I2091 F2242 P2272N2083-K2087 WeakPolarHBondContact O-CB 3.29Å; N2083-K2087 PolarHBondContact O-N 3.3Å; N2083-K2087 VanDerWaalsContact O-N 3.11Å; I2084-K2087 PolarHBondContact O-N 3.39Å; L2085-K2087 PolarHBondContact O-N 3.2Å; K2087-I2089 VanDerWaalsContact C-N 3.33Å; K2087-I2089 PolarHBondContact O-N 3.49Å; K2087-T2090 WeakPolarHBondContact CA-OG1 3.27Å; K2087-T2090 PolarHBondContact O-N 2.9Å; K2087-T2090 VanDerWaalsContact O-N 3.08Å; K2087-T2090 PolarHBondContact O-OG1 2.89Å; K2087-I2091 HydrophobicContact CD-CG2 4.4Å; K2087-I2091 WeakPolarHBondContact O-CG1 3.29Å; K2087-I2091 WeakPolarHBondContact O-CG2 3.37Å; K2087-I2091 PolarHBondContact O-N 3.09Å; K2087-F2242 HydrophobicContact CB-CD2 4.48Å; K2087-F2242 HydrophobicContact CB-CE2 3.5Å; K2087-F2242 VanDerWaalsContact CB-CE2 3.5Å; K2087-F2242 HydrophobicContact CB-CZ 3.85Å; K2087-F2242 HydrophobicContact CG-CD2 4.17Å; K2087-F2242 HydrophobicContact CG-CE2 3.55Å; K2087-F2242 HydrophobicContact CG-CZ 3.95Å; K2087-P2272 WeakPolarHBondContact CE-O 3.41Å; K2087-P2272 HydrophobicContact CG-CG 4.18Å; K2087-P2272 PolarHBondContact NZ-O 3.3Å
2088F89.3Confident85.9Confident0 Ų023.5 Ų23.50%011%0.107CC..Hα-helixtrans-58.6-42.6177.5-172.9-105.1000112I2084 L2085 I2091 S2092 I2098 I2119 M2121 I2152 T2154 F2242I2084-F2088 VanDerWaalsContact O-CB 3.29Å; I2084-F2088 WeakPolarHBondContact O-CB 3.26Å; I2084-F2088 PolarHBondContact O-N 2.93Å; L2085-F2088 PolarHBondContact O-N 3.43Å; L2085-F2088 VanDerWaalsContact O-N 3.14Å; F2088-I2091 HydrophobicContact CD2-CD1 4.31Å; F2088-I2091 WeakPolarHBondContact O-CG1 3.13Å; F2088-I2091 PolarHBondContact O-N 3.35Å; F2088-S2092 PolarHBondContact O-N 3.22Å; F2088-I2098 HydrophobicContact CD2-CD1 4.19Å; F2088-I2098 HydrophobicContact CE1-CD1 4.47Å; F2088-I2098 HydrophobicContact CE1-CG1 4.49Å; F2088-I2098 HydrophobicContact CE2-CD1 3.81Å; F2088-I2098 HydrophobicContact CE2-CG1 4.22Å; F2088-I2098 HydrophobicContact CZ-CD1 3.97Å; F2088-I2098 HydrophobicContact CZ-CG1 3.94Å; F2088-I2119 HydrophobicContact CB-CD1 4.41Å; F2088-I2119 HydrophobicContact CD2-CG2 4.39Å; F2088-M2121 HydrophobicContact CD2-SD 4.23Å; F2088-M2121 HydrophobicContact CE2-SD 4.11Å; F2088-I2152 HydrophobicContact CD1-CD1 4.04Å; F2088-I2152 HydrophobicContact CD1-CG1 4.12Å; F2088-I2152 HydrophobicContact CD2-CG2 4.44Å; F2088-I2152 HydrophobicContact CE1-CD1 4.15Å; F2088-I2152 HydrophobicContact CE1-CG1 3.69Å; F2088-I2152 HydrophobicContact CE1-CG2 4.31Å; F2088-I2152 HydrophobicContact CE2-CG2 4.04Å; F2088-I2152 HydrophobicContact CZ-CB 4.48Å; F2088-I2152 HydrophobicContact CZ-CG1 4.12Å; F2088-I2152 HydrophobicContact CZ-CG2 3.97Å; F2088-T2154 HydrophobicContact CD1-CG2 4.19Å; F2088-T2154 HydrophobicContact CE1-CG2 3.53Å; F2088-T2154 HydrophobicContact CZ-CG2 4.15Å; F2088-F2242 HydrophobicContact CB-CZ 4.19Å; F2088-F2242 HydrophobicContact CD2-CE1 4.49Å
2089I87.2Confident86.1Confident0 Ų023.5 Ų23.50%011%0.107CC..Hα-helixtrans-66.6-41173-64.5161.7000111L2057 T2061 L2085 K2087 I2091 S2092 F2189 V2194L2057-I2089 HydrophobicContact CB-CG2 4.24Å; L2057-I2089 WeakPolarHBondContact CD1-O 3.3Å; L2057-I2089 HydrophobicContact CD2-CG2 4.34Å; T2061-I2089 HydrophobicContact CG2-CB 3.83Å; T2061-I2089 HydrophobicContact CG2-CD1 4.03Å; T2061-I2089 HydrophobicContact CG2-CG2 3.65Å; L2085-I2089 HydrophobicContact CD1-CD1 3.78Å; L2085-I2089 HydrophobicContact CD1-CG1 4.14Å; L2085-I2089 HydrophobicContact CD2-CD1 4.3Å; L2085-I2089 HydrophobicContact CG-CD1 3.69Å; L2085-I2089 HydrophobicContact CG-CG1 4.43Å; L2085-I2089 WeakPolarHBondContact O-CG1 3.17Å; L2085-I2089 PolarHBondContact O-N 3.19Å; K2087-I2089 VanDerWaalsContact C-N 3.33Å; K2087-I2089 PolarHBondContact O-N 3.49Å; I2089-I2091 PolarHBondContact O-N 3.13Å; I2089-S2092 PolarHBondContact O-N 2.95Å; I2089-S2092 PolarHBondContact O-OG 3.42Å; I2089-F2189 HydrophobicContact CG2-CE1 4.07Å; I2089-V2194 HydrophobicContact CD1-CB 4.28Å; I2089-V2194 HydrophobicContact CD1-CG1 4.13Å; I2089-V2194 HydrophobicContact CD1-CG2 3.85Å; I2089-V2194 HydrophobicContact CG1-CG2 4.34Å; I2089-V2194 HydrophobicContact CG2-CG2 4.24Å
2090T86.3Confident86.3Confident34 Ų3422.5 Ų22.521%0.20910%0.102CC..Hα-helixtrans-70.1-18.2-179.562.30000114.4T2061 K2086 K2087T2061-T2090 HydrophobicContact CG2-CG2 4.44Å; K2086-T2090 WeakPolarHBondContact O-CG2 3.48Å; K2086-T2090 PolarHBondContact O-N 2.91Å; K2086-T2090 PolarHBondContact O-OG1 3.29Å; K2087-T2090 WeakPolarHBondContact CA-OG1 3.27Å; K2087-T2090 PolarHBondContact O-N 2.9Å; K2087-T2090 VanDerWaalsContact O-N 3.08Å; K2087-T2090 PolarHBondContact O-OG1 2.89Å
2091I88.2Confident86.4Confident0 Ų022.7 Ų22.70%010%0.103CC..Hα-helixtrans-96.6-6.3178.764.3172.9000113.2K2087 F2088 I2089 I2098 M2121 F2242 W2250 P2272 F2275K2087-I2091 HydrophobicContact CD-CG2 4.4Å; K2087-I2091 WeakPolarHBondContact O-CG1 3.29Å; K2087-I2091 WeakPolarHBondContact O-CG2 3.37Å; K2087-I2091 PolarHBondContact O-N 3.09Å; F2088-I2091 HydrophobicContact CD2-CD1 4.31Å; F2088-I2091 WeakPolarHBondContact O-CG1 3.13Å; F2088-I2091 PolarHBondContact O-N 3.35Å; I2089-I2091 PolarHBondContact O-N 3.13Å; I2091-I2098 HydrophobicContact CD1-CD1 4.21Å; I2091-I2098 HydrophobicContact CG1-CD1 3.87Å; I2091-M2121 HydrophobicContact CD1-CE 3.73Å; I2091-M2121 HydrophobicContact CD1-SD 3.98Å; I2091-F2242 HydrophobicContact CD1-CE1 4.49Å; I2091-W2250 HydrophobicContact CB-CZ2 4.19Å; I2091-W2250 HydrophobicContact CD1-CZ2 4.4Å; I2091-P2272 HydrophobicContact CD1-CB 3.6Å; I2091-P2272 HydrophobicContact CD1-CG 3.52Å; I2091-P2272 HydrophobicContact CG2-CB 4.13Å; I2091-P2272 HydrophobicContact CG2-CG 4.06Å; I2091-P2272 WeakPolarHBondContact CG2-O 3.46Å; I2091-F2275 WeakPolarHBondContact O-CA 3.45Å; I2091-F2275 VanDerWaalsContact O-CB 3.27Å; I2091-F2275 WeakPolarHBondContact O-CB 3.35Å; I2091-F2275 PolarHBondContact O-N 3.33Å
2092S87Confident86.5Confident1 Ų122.7 Ų22.71%0.00710%0.103CC..SBendtrans-83.1177.7-175.571.50000113.4L2057 F2088 I2089 F2189L2057-S2092 WeakPolarHBondContact CD1-O 3.27Å; F2088-S2092 PolarHBondContact O-N 3.22Å; I2089-S2092 PolarHBondContact O-N 2.95Å; I2089-S2092 PolarHBondContact O-OG 3.42Å; S2092-F2189 WeakPolarHBondContact OG-CZ 3.16Å
2093D85.7Confident86.7Confident0 Ų020.6 Ų20.60%09%0.093CC..  trans-111.6158.4165.8-178.741.9000109.4R2050 R2095 T2096 F2189 F2275 Y2276R2050-D2093 IonicContact NH1-OD2 3Å; R2050-D2093 PolarHBondContact NH1-OD2 3.33Å; R2050-D2093 VanDerWaalsContact NH1-OD2 3.1Å; D2093-R2095 VanDerWaalsContact C-N 3.34Å; D2093-R2095 PolarHBondContact OD2-N 3.5Å; D2093-T2096 WeakPolarHBondContact OD2-CB 3.47Å; D2093-T2096 PolarHBondContact OD2-N 2.89Å; D2093-T2096 PolarHBondContact OD2-OG1 3.34Å; D2093-F2189 WeakPolarHBondContact O-CE2 3.38Å; D2093-F2275 HydrophobicContact CB-CB 4.47Å; D2093-F2275 HydrophobicContact CB-CD1 3.86Å; D2093-F2275 HydrophobicContact CB-CD2 3.83Å; D2093-F2275 HydrophobicContact CB-CE1 3.91Å; D2093-F2275 HydrophobicContact CB-CE2 3.89Å; D2093-F2275 HydrophobicContact CB-CG 3.8Å; D2093-F2275 HydrophobicContact CB-CZ 3.91Å; D2093-Y2276 HydrophobicContact CB-CE2 4.27Å; D2093-Y2276 VanDerWaalsContact OD1-CE2 3.27Å; D2093-Y2276 WeakPolarHBondContact OD1-CE2 3.44Å; D2093-Y2276 PolarHBondContact OD1-OH 2.99Å; D2093-Y2276 PolarHBondContact OD2-OH 3.48Å
2094L79.3Confident86.6Confident26 Ų2618.1 Ų18.114%0.1368%0.08CC..SBendtrans-75.2-23.8177.1-77163.1000113.7L2057 P2156 F2189L2057-L2094 HydrophobicContact CD2-CD2 3.74Å; L2057-L2094 HydrophobicContact CD2-CG 4.08Å; L2094-P2156 VanDerWaalsContact O-CB 3.29Å; L2094-P2156 WeakPolarHBondContact O-CB 3.36Å; L2094-F2189 HydrophobicContact CD2-CB 4.3Å; L2094-F2189 HydrophobicContact CD2-CD2 4.38Å; L2094-F2189 HydrophobicContact CD2-CG 4.21Å
2095R78Confident86.5Confident139 Ų13921.9 Ų21.953%0.52510%0.1SC..SBendtrans-110.4-43.1-179.9-74.7-166.5179.8-163.2-5113E2046 D2093 H2128 P2156E2046-R2095 WeakPolarHBondContact OE1-CD 3.37Å; E2046-R2095 IonicContact OE1-CZ 2.77Å; E2046-R2095 VanDerWaalsContact OE1-CZ 3.24Å; E2046-R2095 IonicContact OE1-NE 3.01Å; E2046-R2095 PolarHBondContact OE1-NE 2.93Å; E2046-R2095 IonicContact OE1-NH1 3.35Å; E2046-R2095 PolarHBondContact OE1-NH1 3.43Å; D2093-R2095 VanDerWaalsContact C-N 3.34Å; D2093-R2095 PolarHBondContact OD2-N 3.5Å; R2095-H2128 WeakPolarHBondContact O-CA 3.47Å; R2095-P2156 WeakPolarHBondContact O-CG 3.47Å
2096T82.1Confident86.2Confident11 Ų1123.3 Ų23.37%0.06711%0.109CC..SBendtrans-84.7126.3-171.8-34.30000110.4R2050 D2093 G2126 N2253 F2275R2050-T2096 PolarHBondContact NH1-OG1 3.27Å; D2093-T2096 WeakPolarHBondContact OD2-CB 3.47Å; D2093-T2096 PolarHBondContact OD2-N 2.89Å; D2093-T2096 PolarHBondContact OD2-OG1 3.34Å; T2096-G2126 WeakPolarHBondContact CG2-O 3.23Å; T2096-N2253 WeakPolarHBondContact CG2-ND2 3.29Å; T2096-F2275 HydrophobicContact CG2-CE2 4.16Å; T2096-F2275 HydrophobicContact CG2-CZ 3.85Å; T2096-F2275 WeakPolarHBondContact OG1-CZ 3.39Å
2097Q87.4Confident85.7Confident5 Ų520.6 Ų20.62%0.02310%0.1CC..  trans-68.1136.8177.4-56.1-160.55.900110.6T2127 H2128 Q2129 H2153 T2154Q2097-T2127 WeakPolarHBondContact CG-O 3.42Å; Q2097-T2127 PolarHBondContact N-O 3.1Å; Q2097-H2128 PolarHBondContact NE2-O 2.86Å; Q2097-Q2129 PolarHBondContact NE2-O 3.48Å; Q2097-H2153 PolarHBondContact OE1-ND1 2.89Å; Q2097-H2153 VanDerWaalsContact OE1-ND1 3.08Å; Q2097-T2154 WeakPolarHBondContact CA-O 3.31Å; Q2097-T2154 VanDerWaalsContact CB-O 3.32Å; Q2097-T2154 WeakPolarHBondContact CB-O 3.23Å; Q2097-T2154 WeakPolarHBondContact CG-O 3.41Å
2098I90.3Very high85Confident1 Ų123 Ų231%0.00513%0.131CC..  trans-121.4147.2167.963.3154.8000107.6F2088 I2091 M2121 H2153 T2154 W2250 F2275F2088-I2098 HydrophobicContact CD2-CD1 4.19Å; F2088-I2098 HydrophobicContact CE1-CD1 4.47Å; F2088-I2098 HydrophobicContact CE1-CG1 4.49Å; F2088-I2098 HydrophobicContact CE2-CD1 3.81Å; F2088-I2098 HydrophobicContact CE2-CG1 4.22Å; F2088-I2098 HydrophobicContact CZ-CD1 3.97Å; F2088-I2098 HydrophobicContact CZ-CG1 3.94Å; I2091-I2098 HydrophobicContact CD1-CD1 4.21Å; I2091-I2098 HydrophobicContact CG1-CD1 3.87Å; I2098-M2121 HydrophobicContact CD1-CE 4.46Å; I2098-H2153 CarbonylContact O-C 3.6Å; I2098-H2153 WeakPolarHBondContact O-CA 3.2Å; I2098-H2153 VanDerWaalsContact O-CB 3.27Å; I2098-H2153 WeakPolarHBondContact O-CB 3.43Å; I2098-T2154 HydrophobicContact CD1-CG2 4.27Å; I2098-T2154 HydrophobicContact CG1-CG2 3.64Å; I2098-T2154 WeakPolarHBondContact CG1-OG1 3.18Å; I2098-T2154 PolarHBondContact N-OG1 3.1Å; I2098-T2154 PolarHBondContact O-N 3.49Å; I2098-W2250 HydrophobicContact CB-CH2 4.32Å; I2098-W2250 HydrophobicContact CB-CZ3 4.05Å; I2098-W2250 HydrophobicContact CD1-CH2 4.25Å; I2098-W2250 HydrophobicContact CG2-CH2 3.77Å; I2098-W2250 HydrophobicContact CG2-CZ3 3.69Å; I2098-F2275 HydrophobicContact CG2-CD2 3.75Å; I2098-F2275 HydrophobicContact CG2-CE2 3.86Å
2099A89.8Confident84.2Confident1 Ų130.6 Ų30.61%0.00817%0.172CC..EExtended strand (participates in β ladder)trans-124.1158.6175.600000112.6Q2124 V2131 L2133 W2151 I2152 H2153A2099-Q2124 PolarHBondContact O-NE2 3.12Å; A2099-Q2124 PolarHBondContact O-OE1 3.42Å; A2099-V2131 HydrophobicContact CB-CB 4.27Å; A2099-V2131 HydrophobicContact CB-CG1 3.84Å; A2099-V2131 HydrophobicContact CB-CG2 3.85Å; A2099-L2133 HydrophobicContact CB-CD1 4.39Å; A2099-L2133 HydrophobicContact CB-CD2 4.22Å; A2099-W2151 HydrophobicContact CB-CE3 3.86Å; A2099-W2151 HydrophobicContact CB-CZ3 4.16Å; A2099-I2152 CarbonylContact C-O 3.52Å; A2099-I2152 WeakPolarHBondContact CA-O 3.23Å; A2099-H2153 HydrophobicContact CB-CB 4.01Å
2100G89.3Confident83.3Confident1 Ų133.8 Ų33.81%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-145.5145.2168.300000110.4V2120 W2151 I2152G2100-V2120 CarbonylContact C-O 3.57Å; G2100-V2120 WeakPolarHBondContact CA-O 3.48Å; G2100-W2151 CarbonylContact O-C 3.52Å; G2100-W2151 VanDerWaalsContact O-CA 3.3Å; G2100-W2151 WeakPolarHBondContact O-CA 3.45Å; G2100-W2151 WeakPolarHBondContact O-CB 3.46Å; G2100-I2152 PolarHBondContact N-O 3.38Å; G2100-I2152 WeakPolarHBondContact O-CG2 3.3Å; G2100-I2152 PolarHBondContact O-N 3.46Å
2101Y88.9Confident82.7Confident4 Ų436.4 Ų36.42%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-79137.9174.8-63.9-67.5000110.4I2119 V2120 P2122 L2133 P2138 W2151 I2173 F2174Y2101-I2119 CarbonylContact O-C 3.54Å; Y2101-I2119 VanDerWaalsContact O-CA 3.3Å; Y2101-I2119 WeakPolarHBondContact O-CA 3.3Å; Y2101-V2120 PolarHBondContact N-O 3.27Å; Y2101-V2120 PolarHBondContact O-N 3.36Å; Y2101-P2122 HydrophobicContact CD2-CG 4.13Å; Y2101-P2122 HydrophobicContact CE2-CB 4.18Å; Y2101-P2122 HydrophobicContact CE2-CG 3.75Å; Y2101-L2133 HydrophobicContact CE1-CD1 4.37Å; Y2101-P2138 HydrophobicContact CD2-CG 3.98Å; Y2101-P2138 HydrophobicContact CG-CG 4.46Å; Y2101-W2151 HydrophobicContact CD1-CB 4.16Å; Y2101-I2173 HydrophobicContact CE1-CD1 4.34Å; Y2101-I2173 HydrophobicContact CE1-CG2 3.85Å; Y2101-F2174 HydrophobicContact CD1-CZ 4.27Å
2102L88.8Confident82Confident0 Ų041.3 Ų41.30%023%0.231CC..EExtended strand (participates in β ladder)trans-94.6127-179.9-60.6173.4000109.4I2116 I2119 P2148 L2149 G2150 I2152 I2183 I2185L2102-I2116 HydrophobicContact CB-CG2 4.5Å; L2102-I2116 HydrophobicContact CD1-CD1 4.18Å; L2102-I2116 HydrophobicContact CD2-CD1 4.23Å; L2102-I2116 HydrophobicContact CD2-CG2 3.87Å; L2102-I2119 HydrophobicContact CD2-CG1 4.06Å; L2102-P2148 CarbonylContact O-C 3.6Å; L2102-L2149 HydrophobicContact CB-CB 4.13Å; L2102-L2149 PolarHBondContact O-N 3.28Å; L2102-G2150 PolarHBondContact N-O 2.9Å; L2102-I2152 HydrophobicContact CD1-CB 4.32Å; L2102-I2152 HydrophobicContact CD2-CB 3.85Å; L2102-I2152 HydrophobicContact CD2-CG2 3.58Å; L2102-I2152 HydrophobicContact CG-CB 4.22Å; L2102-I2152 HydrophobicContact CG-CG2 4.21Å; L2102-I2183 HydrophobicContact CD1-CD1 4.5Å; L2102-I2183 HydrophobicContact CD1-CG1 4.34Å; L2102-I2185 HydrophobicContact CD1-CD1 3.48Å; L2102-I2185 VanDerWaalsContact CD1-CD1 3.48Å; L2102-I2185 HydrophobicContact CD1-CG1 3.86Å
2103Y87.6Confident81.6Confident15 Ų1543 Ų436%0.05924%0.24CC..EExtended strand (participates in β ladder)trans-124.9142.9172.3-80.3-97.3000109.3I2116 R2117 C2118 V2120 P2138 L2143 M2146 E2147 P2148Y2103-I2116 CarbonylContact O-C 3.5Å; Y2103-R2117 PolarHBondContact O-N 2.9Å; Y2103-C2118 PolarHBondContact N-O 3.42Å; Y2103-C2118 PolarHBondContact O-N 3.13Å; Y2103-V2120 HydrophobicContact CD2-CG2 3.75Å; Y2103-V2120 HydrophobicContact CE2-CG2 3.88Å; Y2103-P2138 HydrophobicContact CE2-CG 3.68Å; Y2103-P2138 WeakPolarHBondContact OH-CG 3.38Å; Y2103-P2138 PolarHBondContact OH-O 2.97Å; Y2103-L2143 HydrophobicContact CD1-CB 4.39Å; Y2103-L2143 HydrophobicContact CD1-CD2 3.79Å; Y2103-L2143 HydrophobicContact CD2-CD2 3.86Å; Y2103-L2143 HydrophobicContact CE1-CB 4.24Å; Y2103-L2143 HydrophobicContact CE1-CD2 4.16Å; Y2103-L2143 HydrophobicContact CE2-CD1 4.43Å; Y2103-L2143 HydrophobicContact CE2-CD2 4.24Å; Y2103-L2143 HydrophobicContact CG-CD2 3.62Å; Y2103-M2146 HydrophobicContact CD1-CB 4.19Å; Y2103-E2147 WeakPolarHBondContact CA-O 3.3Å; Y2103-P2148 HydrophobicContact CD1-CB 4.44Å; Y2103-P2148 HydrophobicContact CE1-CB 4.01Å
2104G84.7Confident81.5Confident0 Ų043.5 Ų43.50%024%0.242CC..EExtended strand (participates in β ladder)trans-164.4-170.5-176.900000113.5E2115 M2146 E2147G2104-E2115 CarbonylContact C-O 3.59Å; G2104-E2115 WeakPolarHBondContact CA-O 3.18Å; G2104-M2146 CarbonylContact O-C 3.23Å; G2104-M2146 VanDerWaalsContact O-CA 3.29Å; G2104-M2146 WeakPolarHBondContact O-CA 3.37Å; G2104-M2146 WeakPolarHBondContact O-CB 3.31Å; G2104-E2147 PolarHBondContact N-O 3.31Å; G2104-E2147 VanDerWaalsContact O-CG 3.27Å; G2104-E2147 WeakPolarHBondContact O-CG 3.49Å; G2104-E2147 PolarHBondContact O-N 3.03Å
2105I85.6Confident81.9Confident79 Ų7943.6 Ų43.641%0.40524%0.242SC..EExtended strand (participates in β ladder)trans-146.7150.7177.1-160.5170000108.3E2115 R2117I2105-E2115 PolarHBondContact N-O 3Å; I2105-E2115 WeakPolarHBondContact O-CB 3.41Å; I2105-E2115 PolarHBondContact O-N 3.41Å; I2105-R2117 HydrophobicContact CG2-CG 4.28Å
2106S80.1Confident82.3Confident29 Ų2937 Ų3720%0.20322%0.217CC..  trans-71135164.9-730000110S2111 I2113 K2114S2106-S2111 PolarHBondContact OG-O 3.15Å; S2106-I2113 VanDerWaalsContact CA-O 3.31Å; S2106-I2113 WeakPolarHBondContact CA-O 3.36Å; S2106-I2113 WeakPolarHBondContact CB-O 3.23Å; S2106-I2113 PolarHBondContact OG-O 2.97Å; S2106-K2114 WeakPolarHBondContact OG-CD 3.43Å; S2106-K2114 WeakPolarHBondContact OG-CE 3.39Å; S2106-K2114 PolarHBondContact OG-NZ 3.44Å
2107P77.2Confident82.5Confident27 Ų2740.5 Ų40.518%0.17523%0.229CC..  trans-62.1147.5170.625.1-27.4000109.6D2109 N2110 I2113 E2115P2107-D2109 PolarHBondContact O-N 2.89Å; P2107-N2110 PolarHBondContact O-N 3.29Å; P2107-N2110 VanDerWaalsContact O-N 3.11Å; P2107-I2113 VanDerWaalsContact CD-O 3.26Å; P2107-I2113 WeakPolarHBondContact CD-O 3.24Å; P2107-I2113 HydrophobicContact CG-CB 3.92Å; P2107-I2113 HydrophobicContact CG-CG2 3.75Å; P2107-E2115 HydrophobicContact CG-CG 4.24Å
2108A71.3Confident82.5Confident109 Ų10940.3 Ų40.390%0.90123%0.228SC*.THydrogen-bonded Turntrans-55.6-25.3-177.700000113.1
2109D73.5Confident82.5Confident161 Ų16140.2 Ų40.286%0.86123%0.228SC*.THydrogen-bonded Turntrans-87.6-16.3-174.6-54.1-24.7000113.7P2107P2107-D2109 PolarHBondContact O-N 2.89Å
2110N67.4Low82.5Confident66 Ų6640.2 Ų40.235%0.35323%0.228SC..  trans-158.3110.1-177.4-165.7-18.8000113.2P2107 Q2112 I2113P2107-N2110 PolarHBondContact O-N 3.29Å; P2107-N2110 VanDerWaalsContact O-N 3.11Å; N2110-Q2112 VanDerWaalsContact C-N 3.27Å; N2110-Q2112 PolarHBondContact O-N 3.4Å; N2110-Q2112 WeakPolarHBondContact OD1-CB 3.26Å; N2110-Q2112 PolarHBondContact OD1-N 3.11Å; N2110-I2113 HydrophobicContact CB-CB 4.23Å; N2110-I2113 HydrophobicContact CB-CD1 3.87Å; N2110-I2113 HydrophobicContact CB-CG1 4.03Å; N2110-I2113 WeakPolarHBondContact ND2-CD1 3.36Å; N2110-I2113 PolarHBondContact O-N 3.26Å
2111S75.5Confident82.5Confident90 Ų9040.1 Ų40.163%0.62923%0.227SC*.THydrogen-bonded Turntrans-69.6-20.6177.860.10000114.1S2106 I2113S2106-S2111 PolarHBondContact OG-O 3.15Å; S2111-I2113 VanDerWaalsContact C-N 3.25Å
2112Q73.1Confident82.4Confident102 Ų10240 Ų4048%0.47723%0.226SC..THydrogen-bonded Turntrans-80.3-10.8176.5-63.5-157.9-21.500112.8Y2076 T2077 N2110Y2076-Q2112 WeakPolarHBondContact CA-O 3.3Å; T2077-Q2112 PolarHBondContact N-O 2.78Å; N2110-Q2112 VanDerWaalsContact C-N 3.27Å; N2110-Q2112 PolarHBondContact O-N 3.4Å; N2110-Q2112 WeakPolarHBondContact OD1-CB 3.26Å; N2110-Q2112 PolarHBondContact OD1-N 3.11Å
2113I78.8Confident82.2Confident38 Ų3840 Ų4020%0.19523%0.226CC..EExtended strand (participates in β ladder)trans-96.7135.9175.4-65178.8000108.9T2077 I2079 S2106 P2107 N2110 S2111 E2115T2077-I2113 CarbonylContact O-C 3.45Å; T2077-I2113 WeakPolarHBondContact O-CA 3.4Å; I2079-I2113 HydrophobicContact CD1-CG2 3.23Å; I2079-I2113 HydrophobicContact CG1-CG2 3.72Å; S2106-I2113 VanDerWaalsContact CA-O 3.31Å; S2106-I2113 WeakPolarHBondContact CA-O 3.36Å; S2106-I2113 WeakPolarHBondContact CB-O 3.23Å; S2106-I2113 PolarHBondContact OG-O 2.97Å; P2107-I2113 VanDerWaalsContact CD-O 3.26Å; P2107-I2113 WeakPolarHBondContact CD-O 3.24Å; P2107-I2113 HydrophobicContact CG-CB 3.92Å; P2107-I2113 HydrophobicContact CG-CG2 3.75Å; N2110-I2113 HydrophobicContact CB-CB 4.23Å; N2110-I2113 HydrophobicContact CB-CD1 3.87Å; N2110-I2113 HydrophobicContact CB-CG1 4.03Å; N2110-I2113 WeakPolarHBondContact ND2-CD1 3.36Å; N2110-I2113 PolarHBondContact O-N 3.26Å; S2111-I2113 VanDerWaalsContact C-N 3.25Å; I2113-E2115 HydrophobicContact CG2-CG 4.42Å
2114K83.4Confident82.2Confident10 Ų1039.4 Ų39.44%0.04322%0.224CC..EExtended strand (participates in β ladder)trans-118.7106.3176.8-64.5-60.7-174.4-176.10109.5Y2076 T2077 Y2078 I2079 S2106 E2147 L2149Y2076-K2114 HydrophobicContact CD1-CD 4.38Å; Y2076-K2114 HydrophobicContact CD1-CG 4.03Å; Y2076-K2114 HydrophobicContact CG-CG 4.28Å; T2077-K2114 PolarHBondContact O-N 3.48Å; Y2078-K2114 CarbonylContact C-O 3.6Å; Y2078-K2114 WeakPolarHBondContact CA-O 3.29Å; Y2078-K2114 HydrophobicContact CD1-CB 3.64Å; Y2078-K2114 HydrophobicContact CD1-CG 4.21Å; Y2078-K2114 HydrophobicContact CE1-CB 3.89Å; Y2078-K2114 HydrophobicContact CE1-CG 3.96Å; Y2078-K2114 HydrophobicContact CG-CB 4.27Å; I2079-K2114 PolarHBondContact N-O 3.3Å; S2106-K2114 WeakPolarHBondContact OG-CD 3.43Å; S2106-K2114 WeakPolarHBondContact OG-CE 3.39Å; S2106-K2114 PolarHBondContact OG-NZ 3.44Å; K2114-E2147 WeakPolarHBondContact CD-OE1 3.26Å; K2114-E2147 WeakPolarHBondContact CE-OE1 3.12Å; K2114-E2147 IonicContact NZ-OE1 3.77Å; K2114-E2147 PolarHBondContact NZ-OE1 3.37Å; K2114-E2147 IonicContact NZ-OE2 3.58Å; K2114-E2147 PolarHBondContact NZ-OE2 3.38Å; K2114-L2149 HydrophobicContact CB-CD1 4.01Å; K2114-L2149 HydrophobicContact CB-CD2 4.01Å; K2114-L2149 HydrophobicContact CD-CD2 3.82Å; K2114-L2149 HydrophobicContact CG-CD2 4.03Å
2115E86.4Confident82.3Confident27 Ų2743.5 Ų43.513%0.12624%0.24CC..EExtended strand (participates in β ladder)trans-86.9116178.1-72.1-176.4164.500111I2079 G2104 I2105 P2107 I2113 R2117 F2238I2079-E2115 HydrophobicContact CB-CG 4.32Å; I2079-E2115 HydrophobicContact CD1-CG 4.27Å; G2104-E2115 CarbonylContact C-O 3.59Å; G2104-E2115 WeakPolarHBondContact CA-O 3.18Å; I2105-E2115 PolarHBondContact N-O 3Å; I2105-E2115 WeakPolarHBondContact O-CB 3.41Å; I2105-E2115 PolarHBondContact O-N 3.41Å; P2107-E2115 HydrophobicContact CG-CG 4.24Å; I2113-E2115 HydrophobicContact CG2-CG 4.42Å; E2115-R2117 PolarHBondContact O-N 3.07Å; E2115-R2117 IonicContact OE2-CZ 3.54Å; E2115-R2117 IonicContact OE2-NE 2.92Å; E2115-R2117 PolarHBondContact OE2-NE 2.94Å; E2115-R2117 IonicContact OE2-NH2 3.64Å; E2115-R2117 PolarHBondContact OE2-NH2 3.43Å; E2115-F2238 HydrophobicContact CB-CE1 4.18Å; E2115-F2238 HydrophobicContact CB-CE2 3.93Å; E2115-F2238 HydrophobicContact CB-CZ 3.51Å; E2115-F2238 HydrophobicContact CG-CE1 3.77Å; E2115-F2238 HydrophobicContact CG-CE2 4.42Å; E2115-F2238 HydrophobicContact CG-CZ 3.63Å
2116I87.4Confident82.1Confident0 Ų040 Ų400%022%0.223CC..EExtended strand (participates in β ladder)trans-75.8108.7176.7-61168.2000109I2079 L2080 P2081 I2084 L2102 Y2103 L2149 I2185 F2238I2079-I2116 WeakPolarHBondContact O-CB 3.26Å; I2079-I2116 PolarHBondContact O-N 3.04Å; L2080-I2116 HydrophobicContact CB-CD1 4.15Å; L2080-I2116 HydrophobicContact CD1-CB 4.18Å; L2080-I2116 HydrophobicContact CD1-CD1 3.6Å; L2080-I2116 HydrophobicContact CD1-CG1 4.5Å; L2080-I2116 HydrophobicContact CD1-CG2 3.98Å; L2080-I2116 HydrophobicContact CG-CD1 4.48Å; P2081-I2116 WeakPolarHBondContact CD-O 3.46Å; P2081-I2116 WeakPolarHBondContact CG-O 3.38Å; I2084-I2116 HydrophobicContact CD1-CG2 3.77Å; L2102-I2116 HydrophobicContact CB-CG2 4.5Å; L2102-I2116 HydrophobicContact CD1-CD1 4.18Å; L2102-I2116 HydrophobicContact CD2-CD1 4.23Å; L2102-I2116 HydrophobicContact CD2-CG2 3.87Å; Y2103-I2116 CarbonylContact O-C 3.5Å; I2116-L2149 HydrophobicContact CG1-CD1 3.87Å; I2116-I2185 HydrophobicContact CD1-CD1 3.81Å; I2116-F2238 WeakPolarHBondContact O-CE2 3.47Å
2117R85.8Confident81.9Confident86 Ų8640.5 Ų40.533%0.32523%0.225SC..EExtended strand (participates in β ladder)trans-97.5-25.5-177.1-66.8-68.8-178.9145-1.3113.1Y2103 I2105 E2115 M2146 G2240 F2241Y2103-R2117 PolarHBondContact O-N 2.9Å; I2105-R2117 HydrophobicContact CG2-CG 4.28Å; E2115-R2117 PolarHBondContact O-N 3.07Å; E2115-R2117 IonicContact OE2-CZ 3.54Å; E2115-R2117 IonicContact OE2-NE 2.92Å; E2115-R2117 PolarHBondContact OE2-NE 2.94Å; E2115-R2117 IonicContact OE2-NH2 3.64Å; E2115-R2117 PolarHBondContact OE2-NH2 3.43Å; R2117-M2146 HydrophobicContact CB-SD 3.51Å; R2117-M2146 VanDerWaalsContact CB-SD 3.51Å; R2117-M2146 HydrophobicContact CG-SD 4.46Å; R2117-G2240 CarbonylContact O-C 3.06Å; R2117-G2240 WeakPolarHBondContact O-CA 3.21Å; R2117-F2241 WeakPolarHBondContact O-CD1 3.38Å; R2117-F2241 PolarHBondContact O-N 2.99Å
2118C88.1Confident81.9Confident0 Ų044.5 Ų44.50%024%0.241CC..EExtended strand (participates in β ladder)trans-140.8141-175.6172.60000112.6Y2103 M2146 F2241Y2103-C2118 PolarHBondContact N-O 3.42Å; Y2103-C2118 PolarHBondContact O-N 3.13Å; C2118-M2146 HydrophobicContact CB-SD 3.98Å; C2118-F2241 WeakPolarHBondContact CA-O 3.19Å; C2118-F2241 HydrophobicContact CB-CD1 4.48Å; C2118-F2241 HydrophobicContact CB-CD2 4.17Å; C2118-F2241 HydrophobicContact CB-CE1 4.11Å; C2118-F2241 HydrophobicContact CB-CE2 3.77Å; C2118-F2241 HydrophobicContact CB-CZ 3.77Å
2119I90.3Very high82Confident0 Ų042.2 Ų42.20%021%0.212CC..EExtended strand (participates in β ladder)trans-113.1118.5164.4-62.2177.5000109.5I2084 F2088 Y2101 L2102 M2121 I2152 F2241 F2242 M2243I2084-I2119 HydrophobicContact CB-CD1 3.83Å; I2084-I2119 HydrophobicContact CB-CG1 4.34Å; I2084-I2119 HydrophobicContact CD1-CD1 3.95Å; I2084-I2119 HydrophobicContact CD1-CG1 3.95Å; I2084-I2119 HydrophobicContact CG1-CD1 3.78Å; I2084-I2119 HydrophobicContact CG1-CG1 4.3Å; F2088-I2119 HydrophobicContact CB-CD1 4.41Å; F2088-I2119 HydrophobicContact CD2-CG2 4.39Å; Y2101-I2119 CarbonylContact O-C 3.54Å; Y2101-I2119 VanDerWaalsContact O-CA 3.3Å; Y2101-I2119 WeakPolarHBondContact O-CA 3.3Å; L2102-I2119 HydrophobicContact CD2-CG1 4.06Å; I2119-M2121 HydrophobicContact CG2-SD 4.25Å; I2119-I2152 HydrophobicContact CD1-CG2 4.21Å; I2119-I2152 HydrophobicContact CG2-CG2 4.28Å; I2119-F2241 PolarHBondContact N-O 2.92Å; I2119-F2242 HydrophobicContact CB-CD1 3.76Å; I2119-F2242 HydrophobicContact CB-CE1 3.62Å; I2119-F2242 HydrophobicContact CB-CZ 4.27Å; I2119-F2242 HydrophobicContact CD1-CE1 4.16Å; I2119-F2242 HydrophobicContact CD1-CZ 4.12Å; I2119-F2242 HydrophobicContact CG1-CE1 4.43Å; I2119-F2242 HydrophobicContact CG2-CD1 3.92Å; I2119-F2242 HydrophobicContact CG2-CE1 3.61Å; I2119-F2242 VanDerWaalsContact O-CA 3.24Å; I2119-F2242 WeakPolarHBondContact O-CA 3.33Å; I2119-F2242 WeakPolarHBondContact O-CD1 3.46Å; I2119-M2243 PolarHBondContact O-N 2.94Å; I2119-M2243 VanDerWaalsContact O-N 3.08Å
2120V88.7Confident82.3Confident0 Ų035.3 Ų35.30%018%0.176CC..EExtended strand (participates in β ladder)trans-94128.1175.7-176.60000110.1G2100 Y2101 Y2103 P2122 P2138 L2143 M2243 L2267G2100-V2120 CarbonylContact C-O 3.57Å; G2100-V2120 WeakPolarHBondContact CA-O 3.48Å; Y2101-V2120 PolarHBondContact N-O 3.27Å; Y2101-V2120 PolarHBondContact O-N 3.36Å; Y2103-V2120 HydrophobicContact CD2-CG2 3.75Å; Y2103-V2120 HydrophobicContact CE2-CG2 3.88Å; V2120-P2122 VanDerWaalsContact O-CD 3.29Å; V2120-P2122 WeakPolarHBondContact O-CD 3.48Å; V2120-P2138 HydrophobicContact CB-CG 4.23Å; V2120-P2138 HydrophobicContact CG1-CB 3.79Å; V2120-P2138 HydrophobicContact CG1-CG 3.94Å; V2120-P2138 HydrophobicContact CG2-CG 4.23Å; V2120-L2143 HydrophobicContact CG2-CD1 4.03Å; V2120-L2143 HydrophobicContact CG2-CD2 3.91Å; V2120-M2243 HydrophobicContact CG1-CB 4.27Å; V2120-M2243 HydrophobicContact CG2-CB 4.19Å; V2120-M2243 HydrophobicContact CG2-CG 4.47Å; V2120-M2243 HydrophobicContact CG2-SD 4.37Å; V2120-L2267 HydrophobicContact CG1-CD1 3.64Å; V2120-L2267 HydrophobicContact CG1-CD2 3.68Å; V2120-L2267 HydrophobicContact CG1-CG 4.34Å
2121M89.2Confident83.2Confident0 Ų032.3 Ų32.30%016%0.16CC..  trans-102.9102.4176.7-61.5-67.4-61.400110.3F2088 I2091 I2098 I2119 Q2124 F2242 M2243 V2244 P2245 W2250 P2272F2088-M2121 HydrophobicContact CD2-SD 4.23Å; F2088-M2121 HydrophobicContact CE2-SD 4.11Å; I2091-M2121 HydrophobicContact CD1-CE 3.73Å; I2091-M2121 HydrophobicContact CD1-SD 3.98Å; I2098-M2121 HydrophobicContact CD1-CE 4.46Å; I2119-M2121 HydrophobicContact CG2-SD 4.25Å; M2121-Q2124 VanDerWaalsContact CE-NE2 3.26Å; M2121-F2242 HydrophobicContact CG-CD1 4.05Å; M2121-F2242 HydrophobicContact CG-CE1 4.45Å; M2121-F2242 HydrophobicContact SD-CE1 4.44Å; M2121-M2243 PolarHBondContact N-O 3.38Å; M2121-V2244 HydrophobicContact CB-CG1 4.1Å; M2121-V2244 HydrophobicContact CG-CG1 4.28Å; M2121-P2245 WeakPolarHBondContact O-CD 3.49Å; M2121-W2250 HydrophobicContact CB-CB 4.27Å; M2121-W2250 HydrophobicContact CB-CG 4.48Å; M2121-W2250 HydrophobicContact CE-CD2 3.73Å; M2121-W2250 HydrophobicContact CE-CE3 3.52Å; M2121-W2250 HydrophobicContact CE-CG 4.4Å; M2121-W2250 HydrophobicContact CE-CH2 4.07Å; M2121-W2250 HydrophobicContact CE-CZ2 4.27Å; M2121-W2250 HydrophobicContact CE-CZ3 3.69Å; M2121-P2272 HydrophobicContact CG-CB 4.14Å; M2121-P2272 HydrophobicContact CG-CG 4.45Å
2122P86.8Confident83.5Confident0 Ų030.5 Ų30.50%014%0.141CC..  trans-77.1165.3175.532.5-36.5000112.1Y2101 V2120 Q2124 L2133 Y2265Y2101-P2122 HydrophobicContact CD2-CG 4.13Å; Y2101-P2122 HydrophobicContact CE2-CB 4.18Å; Y2101-P2122 HydrophobicContact CE2-CG 3.75Å; V2120-P2122 VanDerWaalsContact O-CD 3.29Å; V2120-P2122 WeakPolarHBondContact O-CD 3.48Å; P2122-Q2124 PolarHBondContact O-N 3.11Å; P2122-L2133 HydrophobicContact CG-CD2 3.63Å; P2122-Y2265 HydrophobicContact CB-CE2 4.38Å
2123P86.1Confident84Confident0 Ų026.8 Ų26.80%012%0.124CC..SBendtrans-52.7117.5161.5-24.535.2000110.2P2134 P2245 Y2252 M2263 Y2265P2123-P2134 HydrophobicContact CB-CG 4.19Å; P2123-P2134 WeakPolarHBondContact O-CD 3.37Å; P2123-P2134 VanDerWaalsContact O-CG 3.25Å; P2123-P2134 WeakPolarHBondContact O-CG 3.22Å; P2123-P2245 HydrophobicContact CG-CG 4.22Å; P2123-Y2252 HydrophobicContact CB-CD2 4.2Å; P2123-Y2252 HydrophobicContact CB-CE2 3.67Å; P2123-M2263 HydrophobicContact CB-SD 4.2Å; P2123-M2263 HydrophobicContact CG-SD 4.4Å; P2123-Y2265 HydrophobicContact CG-CD1 4.26Å; P2123-Y2265 HydrophobicContact CG-CG 4.01Å
2124Q87.8Confident84Confident3 Ų325.1 Ų25.11%0.01412%0.116CC..BIsolated β-bridgetrans-147156.3-173.962.7179.6-27.300113.2A2099 M2121 P2122 V2131 H2132 L2133 W2250 Y2252A2099-Q2124 PolarHBondContact O-NE2 3.12Å; A2099-Q2124 PolarHBondContact O-OE1 3.42Å; M2121-Q2124 VanDerWaalsContact CE-NE2 3.26Å; P2122-Q2124 PolarHBondContact O-N 3.11Å; Q2124-V2131 HydrophobicContact CB-CG2 4.45Å; Q2124-H2132 WeakPolarHBondContact CA-O 3.41Å; Q2124-L2133 HydrophobicContact CB-CD2 3.74Å; Q2124-W2250 HydrophobicContact CG-CE3 3.98Å; Q2124-W2250 HydrophobicContact CG-CZ3 4.37Å; Q2124-W2250 VanDerWaalsContact CG-O 3.29Å; Q2124-W2250 WeakPolarHBondContact CG-O 3.41Å; Q2124-W2250 PolarHBondContact N-O 3.09Å; Q2124-W2250 VanDerWaalsContact NE2-CE3 3.31Å; Q2124-Y2252 PolarHBondContact O-N 3.47Å
2125W86.2Confident83.5Confident87 Ų8730.6 Ų30.633%0.3315%0.146SC..EExtended strand (participates in β ladder)trans-131.9153.516475.6-83.2000109.3T2127 H2132 N2253 H2259W2125-T2127 HydrophobicContact CE3-CG2 4.36Å; W2125-T2127 HydrophobicContact CH2-CG2 4.17Å; W2125-T2127 HydrophobicContact CZ3-CG2 3.55Å; W2125-H2132 VanDerWaalsContact CD1-CB 3.47Å; W2125-H2132 HydrophobicContact CD2-CB 4.06Å; W2125-H2132 AromaticContact CD2-CD2 3.65Å; W2125-H2132 AromaticContact CE2-CD2 3.19Å; W2125-H2132 AromaticContact CE2-CG 3.39Å; W2125-H2132 AromaticContact CE3-CD2 3.89Å; W2125-H2132 HydrophobicContact CG-CB 4.04Å; W2125-H2132 AromaticContact CH2-CD2 3.32Å; W2125-H2132 WeakPolarHBondContact CH2-CD2 3.35Å; W2125-H2132 AromaticContact CH2-NE2 3.43Å; W2125-H2132 WeakPolarHBondContact CH2-NE2 3.39Å; W2125-H2132 HydrophobicContact CZ2-CB 4.15Å; W2125-H2132 AromaticContact CZ2-CD2 3.02Å; W2125-H2132 WeakPolarHBondContact CZ2-CD2 3.28Å; W2125-H2132 AromaticContact CZ2-CE1 3.96Å; W2125-H2132 AromaticContact CZ2-CG 3.47Å; W2125-H2132 VanDerWaalsContact CZ2-CG 3.47Å; W2125-H2132 AromaticContact CZ2-NE2 3.4Å; W2125-H2132 WeakPolarHBondContact CZ2-NE2 3.33Å; W2125-H2132 AromaticContact CZ3-CD2 3.75Å; W2125-H2132 PolarHBondContact N-O 2.82Å; W2125-H2132 AromaticContact NE1-CD2 3.8Å; W2125-H2132 AromaticContact NE1-CG 3.51Å; W2125-H2132 PolarHBondContact O-N 2.94Å; W2125-N2253 VanDerWaalsContact CA-OD1 3.3Å; W2125-N2253 WeakPolarHBondContact CA-OD1 3.03Å; W2125-N2253 WeakPolarHBondContact CB-OD1 3.27Å; W2125-H2259 AromaticContact CD1-CD2 3.88Å; W2125-H2259 AromaticContact CD1-CE1 3.76Å; W2125-H2259 AromaticContact CD1-CG 3.69Å; W2125-H2259 AromaticContact CD1-ND1 3.61Å; W2125-H2259 AromaticContact CD1-NE2 3.91Å; W2125-H2259 AromaticContact NE1-ND1 3.81Å
2126G80.4Confident82.6Confident6 Ų631 Ų316%0.06216%0.158CC..EExtended strand (participates in β ladder)trans-138.3155.9-175.300000111.9T2096 T2130 N2253T2096-G2126 WeakPolarHBondContact CG2-O 3.23Å; G2126-T2130 CarbonylContact C-O 3.54Å; G2126-T2130 VanDerWaalsContact CA-O 3.31Å; G2126-T2130 WeakPolarHBondContact CA-O 3.18Å; G2126-N2253 PolarHBondContact N-OD1 2.9Å; G2126-N2253 PolarHBondContact O-OD1 2.7Å
2127T76.4Confident81.8Confident38 Ų3834 Ų3423%0.23317%0.174CC..  trans-107.2-171.6168.767.30000108.8Q2097 W2125 Q2129 T2130Q2097-T2127 WeakPolarHBondContact CG-O 3.42Å; Q2097-T2127 PolarHBondContact N-O 3.1Å; W2125-T2127 HydrophobicContact CE3-CG2 4.36Å; W2125-T2127 HydrophobicContact CH2-CG2 4.17Å; W2125-T2127 HydrophobicContact CZ3-CG2 3.55Å; T2127-Q2129 PolarHBondContact O-N 3.02Å; T2127-Q2129 PolarHBondContact OG1-N 2.77Å; T2127-Q2129 VanDerWaalsContact OG1-N 3.1Å; T2127-T2130 PolarHBondContact N-O 3.1Å; T2127-T2130 PolarHBondContact OG1-N 3.4Å; T2127-T2130 PolarHBondContact OG1-O 3.06Å; T2127-T2130 PolarHBondContact OG1-OG1 3.04Å
2128H76.8Confident81.1Confident112 Ų11230.3 Ų30.352%0.51916%0.161SC..SBendtrans-68.6-17.1167.156.7-66.9000112.7R2095 Q2097 P2156R2095-H2128 WeakPolarHBondContact O-CA 3.47Å; Q2097-H2128 PolarHBondContact NE2-O 2.86Å; H2128-P2156 VanDerWaalsContact O-CG 3.26Å; H2128-P2156 WeakPolarHBondContact O-CG 3.38Å
2129Q74.2Confident80.2Confident60 Ų6039 Ų3928%0.2820%0.201SC..SBendtrans-117.7-33.3-168.5-91.217111.500113.4Q2097 T2127 Q2165Q2097-Q2129 PolarHBondContact NE2-O 3.48Å; T2127-Q2129 PolarHBondContact O-N 3.02Å; T2127-Q2129 PolarHBondContact OG1-N 2.77Å; T2127-Q2129 VanDerWaalsContact OG1-N 3.1Å; Q2129-Q2165 VanDerWaalsContact C-OE1 3.3Å; Q2129-Q2165 PolarHBondContact O-OE1 2.91Å
2130T78.8Confident79.4Confident17 Ų1741 Ų4110%0.10421%0.212CC..  trans-131.4162.3-172.758.90000112.7G2126 T2127 H2132 Q2165G2126-T2130 CarbonylContact C-O 3.54Å; G2126-T2130 VanDerWaalsContact CA-O 3.31Å; G2126-T2130 WeakPolarHBondContact CA-O 3.18Å; T2127-T2130 PolarHBondContact N-O 3.1Å; T2127-T2130 PolarHBondContact OG1-N 3.4Å; T2127-T2130 PolarHBondContact OG1-O 3.06Å; T2127-T2130 PolarHBondContact OG1-OG1 3.04Å; T2130-H2132 PolarHBondContact OG1-NE2 2.97Å; T2130-Q2165 HydrophobicContact CG2-CB 3.71Å; T2130-Q2165 HydrophobicContact CG2-CG 3.62Å
2131V86.2Confident78.7Confident3 Ų348.7 Ų48.72%0.01825%0.248CC..EExtended strand (participates in β ladder)trans-118.7147158.970.50000109.8A2099 Q2124 L2133 W2151A2099-V2131 HydrophobicContact CB-CB 4.27Å; A2099-V2131 HydrophobicContact CB-CG1 3.84Å; A2099-V2131 HydrophobicContact CB-CG2 3.85Å; Q2124-V2131 HydrophobicContact CB-CG2 4.45Å; V2131-L2133 HydrophobicContact CG1-CD1 4.27Å; V2131-L2133 HydrophobicContact CG1-CG 4.31Å; V2131-L2133 HydrophobicContact CG2-CD2 4.06Å; V2131-L2133 HydrophobicContact CG2-CG 4.36Å; V2131-W2151 HydrophobicContact CG1-CH2 4.34Å; V2131-W2151 HydrophobicContact CG1-CZ3 3.74Å
2132H83.6Confident77.8Confident51 Ų5155.4 Ų55.424%0.23627%0.274CS..EExtended strand (participates in β ladder)trans-118.4121.3176.9-66.6-77.2000109.1Q2124 W2125 T2130Q2124-H2132 WeakPolarHBondContact CA-O 3.41Å; W2125-H2132 VanDerWaalsContact CD1-CB 3.47Å; W2125-H2132 HydrophobicContact CD2-CB 4.06Å; W2125-H2132 AromaticContact CD2-CD2 3.65Å; W2125-H2132 AromaticContact CE2-CD2 3.19Å; W2125-H2132 AromaticContact CE2-CG 3.39Å; W2125-H2132 AromaticContact CE3-CD2 3.89Å; W2125-H2132 HydrophobicContact CG-CB 4.04Å; W2125-H2132 AromaticContact CH2-CD2 3.32Å; W2125-H2132 WeakPolarHBondContact CH2-CD2 3.35Å; W2125-H2132 AromaticContact CH2-NE2 3.43Å; W2125-H2132 WeakPolarHBondContact CH2-NE2 3.39Å; W2125-H2132 HydrophobicContact CZ2-CB 4.15Å; W2125-H2132 AromaticContact CZ2-CD2 3.02Å; W2125-H2132 WeakPolarHBondContact CZ2-CD2 3.28Å; W2125-H2132 AromaticContact CZ2-CE1 3.96Å; W2125-H2132 AromaticContact CZ2-CG 3.47Å; W2125-H2132 VanDerWaalsContact CZ2-CG 3.47Å; W2125-H2132 AromaticContact CZ2-NE2 3.4Å; W2125-H2132 WeakPolarHBondContact CZ2-NE2 3.33Å; W2125-H2132 AromaticContact CZ3-CD2 3.75Å; W2125-H2132 PolarHBondContact N-O 2.82Å; W2125-H2132 AromaticContact NE1-CD2 3.8Å; W2125-H2132 AromaticContact NE1-CG 3.51Å; W2125-H2132 PolarHBondContact O-N 2.94Å; T2130-H2132 PolarHBondContact OG1-NE2 2.97Å
2133L82.2Confident77.3Confident24 Ų2455.8 Ų55.813%0.12628%0.276CS..  trans-119.9154.8-173.7-57.4169000109.9A2099 Y2101 P2122 Q2124 V2131 I2173A2099-L2133 HydrophobicContact CB-CD1 4.39Å; A2099-L2133 HydrophobicContact CB-CD2 4.22Å; Y2101-L2133 HydrophobicContact CE1-CD1 4.37Å; P2122-L2133 HydrophobicContact CG-CD2 3.63Å; Q2124-L2133 HydrophobicContact CB-CD2 3.74Å; V2131-L2133 HydrophobicContact CG1-CD1 4.27Å; V2131-L2133 HydrophobicContact CG1-CG 4.31Å; V2131-L2133 HydrophobicContact CG2-CD2 4.06Å; V2131-L2133 HydrophobicContact CG2-CG 4.36Å; L2133-I2173 HydrophobicContact CD1-CD1 3.79Å
2134P80.1Confident76.7Confident3 Ų364.3 Ų64.32%0.01931%0.313CS..  trans-70.2150.8171.7-14.131.2000110.3P2123 G2136 Y2265P2123-P2134 HydrophobicContact CB-CG 4.19Å; P2123-P2134 WeakPolarHBondContact O-CD 3.37Å; P2123-P2134 VanDerWaalsContact O-CG 3.25Å; P2123-P2134 WeakPolarHBondContact O-CG 3.22Å; P2134-G2136 PolarHBondContact O-N 3.48Å; P2134-Y2265 HydrophobicContact CB-CD1 4.32Å; P2134-Y2265 HydrophobicContact CB-CE1 4.04Å; P2134-Y2265 HydrophobicContact CG-CD1 4.26Å; P2134-Y2265 HydrophobicContact CG-CE1 4.13Å
2135N71.9Confident76.1Confident125 Ų12572.1 Ų72.167%0.66835%0.35SS*.SBendtrans-68.1-17.6-174.7-68.9-27.3000114.6P2261 N2262N2135-P2261 PolarHBondContact N-O 3.28Å; N2135-P2261 PolarHBondContact ND2-O 3Å; N2135-N2262 PolarHBondContact ND2-OD1 3.29Å
2136G68.6Low75.6Confident37 Ų3769.3 Ų69.338%0.38134%0.341SS..SBendtrans-83.8127.9-178.200000113P2134 Y2265P2134-G2136 PolarHBondContact O-N 3.48Å; G2136-Y2265 WeakPolarHBondContact O-CE1 3.4Å; G2136-Y2265 PolarHBondContact O-OH 3.09Å
2137L70.4Confident75.6Confident63 Ų6371.5 Ų71.533%0.3335%0.349SS..PPolyproline II helixtrans-65.1147165.3-79.3164.8000110.4Q2139 I2173L2137-Q2139 PolarHBondContact O-N 3.32Å; L2137-I2173 HydrophobicContact CD2-CG2 4.29Å
2138P70.8Confident76Confident8 Ų870.7 Ų70.75%0.05235%0.345CS..PPolyproline II helixtrans-69.8132.2-178.123.7-27.8000111.9Y2101 Y2103 V2120 L2143 Y2265 L2267Y2101-P2138 HydrophobicContact CD2-CG 3.98Å; Y2101-P2138 HydrophobicContact CG-CG 4.46Å; Y2103-P2138 HydrophobicContact CE2-CG 3.68Å; Y2103-P2138 WeakPolarHBondContact OH-CG 3.38Å; Y2103-P2138 PolarHBondContact OH-O 2.97Å; V2120-P2138 HydrophobicContact CB-CG 4.23Å; V2120-P2138 HydrophobicContact CG1-CB 3.79Å; V2120-P2138 HydrophobicContact CG1-CG 3.94Å; V2120-P2138 HydrophobicContact CG2-CG 4.23Å; P2138-L2143 HydrophobicContact CB-CD1 3.93Å; P2138-L2143 HydrophobicContact CG-CD1 4.32Å; P2138-Y2265 HydrophobicContact CB-CE2 4.25Å; P2138-L2267 HydrophobicContact CB-CD1 3.42Å; P2138-L2267 VanDerWaalsContact CB-CD1 3.42Å
2139Q69.1Low76.4Confident182 Ų18265.4 Ų65.485%0.8532%0.32SS*.  trans-120.3118.9176-65.4-176.8-2.900108.7L2137L2137-Q2139 PolarHBondContact O-N 3.32Å
2140D73.4Confident77.1Confident42 Ų4262.5 Ų62.523%0.22531%0.307CS..  trans-152.9156.6176.4-17182.9000110Y2142 L2143 M2243 L2267D2140-Y2142 VanDerWaalsContact C-N 3.3Å; D2140-Y2142 PolarHBondContact O-N 2.96Å; D2140-Y2142 WeakPolarHBondContact OD2-CD2 3.42Å; D2140-Y2142 PolarHBondContact OD2-N 3.45Å; D2140-L2143 HydrophobicContact CB-CD1 3.94Å; D2140-L2143 HydrophobicContact CB-CG 4.12Å; D2140-L2143 PolarHBondContact O-N 3.1Å; D2140-L2143 VanDerWaalsContact O-N 3.15Å; D2140-M2243 HydrophobicContact CB-CE 3.56Å; D2140-M2243 HydrophobicContact CB-SD 4.36Å; D2140-M2243 WeakPolarHBondContact OD2-CE 3.44Å; D2140-L2267 HydrophobicContact CB-CB 4.38Å; D2140-L2267 HydrophobicContact CB-CD1 4.32Å
2141E73.4Confident77.6Confident161 Ų16161.8 Ų61.875%0.75230%0.302SS*.G310 helixtrans-60.7-38.4-179.3-163.7171.4-162.400112.2L2143 K2144E2141-L2143 VanDerWaalsContact C-N 3.26Å; E2141-L2143 PolarHBondContact O-N 3.28Å; E2141-K2144 PolarHBondContact O-N 3.38Å
2142Y71.8Confident77.9Confident141 Ų14161.6 Ų61.655%0.55330%0.301SS*.G310 helixtrans-70.5-20.1177.8-75.9-82.5000113.8D2140 M2146 P2269D2140-Y2142 VanDerWaalsContact C-N 3.3Å; D2140-Y2142 PolarHBondContact O-N 2.96Å; D2140-Y2142 WeakPolarHBondContact OD2-CD2 3.42Å; D2140-Y2142 PolarHBondContact OD2-N 3.45Å; Y2142-M2146 WeakPolarHBondContact O-CE 3.43Å; Y2142-P2269 HydrophobicContact CE2-CG 4.44Å
2143L75.2Confident78.2Confident9 Ų959.2 Ų59.25%0.04729%0.29CS..G310 helixtrans-86.5-12.9-178.8-64.8173.5000112.7Y2103 V2120 P2138 D2140 E2141 E2145 M2146 M2243 L2267Y2103-L2143 HydrophobicContact CD1-CB 4.39Å; Y2103-L2143 HydrophobicContact CD1-CD2 3.79Å; Y2103-L2143 HydrophobicContact CD2-CD2 3.86Å; Y2103-L2143 HydrophobicContact CE1-CB 4.24Å; Y2103-L2143 HydrophobicContact CE1-CD2 4.16Å; Y2103-L2143 HydrophobicContact CE2-CD1 4.43Å; Y2103-L2143 HydrophobicContact CE2-CD2 4.24Å; Y2103-L2143 HydrophobicContact CG-CD2 3.62Å; V2120-L2143 HydrophobicContact CG2-CD1 4.03Å; V2120-L2143 HydrophobicContact CG2-CD2 3.91Å; P2138-L2143 HydrophobicContact CB-CD1 3.93Å; P2138-L2143 HydrophobicContact CG-CD1 4.32Å; D2140-L2143 HydrophobicContact CB-CD1 3.94Å; D2140-L2143 HydrophobicContact CB-CG 4.12Å; D2140-L2143 PolarHBondContact O-N 3.1Å; D2140-L2143 VanDerWaalsContact O-N 3.15Å; E2141-L2143 VanDerWaalsContact C-N 3.26Å; E2141-L2143 PolarHBondContact O-N 3.28Å; L2143-E2145 VanDerWaalsContact C-N 3.3Å; L2143-E2145 PolarHBondContact O-N 3.17Å; L2143-M2146 PolarHBondContact O-N 3.31Å; L2143-M2243 HydrophobicContact CD1-SD 3.88Å; L2143-M2243 HydrophobicContact CD2-SD 3.67Å; L2143-M2243 HydrophobicContact CG-SD 3.61Å; L2143-L2267 HydrophobicContact CD1-CD1 3.93Å
2144K73.7Confident78.6Confident179 Ų17958.1 Ų58.178%0.77828%0.284SS*.THydrogen-bonded Turntrans-65.5-30.3-179.2-77-177.4177.9174.20113.9E2141 M2146E2141-K2144 PolarHBondContact O-N 3.38Å; K2144-M2146 VanDerWaalsContact C-N 3.26Å
2145E74.6Confident78.8Confident166 Ų16658.2 Ų58.278%0.77629%0.285SS*.THydrogen-bonded Turntrans-83.1-2.4179-63-174.8166.700112.9L2143L2143-E2145 VanDerWaalsContact C-N 3.3Å; L2143-E2145 PolarHBondContact O-N 3.17Å
2146M75.7Confident79.2Confident29 Ų2953.3 Ų53.314%0.14326%0.26CS..SBendtrans-123.1141.1-174.2-75.8177-103.200111.7Y2103 G2104 R2117 C2118 Y2142 L2143 K2144 F2241Y2103-M2146 HydrophobicContact CD1-CB 4.19Å; G2104-M2146 CarbonylContact O-C 3.23Å; G2104-M2146 VanDerWaalsContact O-CA 3.29Å; G2104-M2146 WeakPolarHBondContact O-CA 3.37Å; G2104-M2146 WeakPolarHBondContact O-CB 3.31Å; R2117-M2146 HydrophobicContact CB-SD 3.51Å; R2117-M2146 VanDerWaalsContact CB-SD 3.51Å; R2117-M2146 HydrophobicContact CG-SD 4.46Å; C2118-M2146 HydrophobicContact CB-SD 3.98Å; Y2142-M2146 WeakPolarHBondContact O-CE 3.43Å; L2143-M2146 PolarHBondContact O-N 3.31Å; K2144-M2146 VanDerWaalsContact C-N 3.26Å; M2146-F2241 HydrophobicContact CE-CE1 3.71Å; M2146-F2241 HydrophobicContact CE-CZ 3.35Å; M2146-F2241 HydrophobicContact SD-CE1 4.41Å; M2146-F2241 HydrophobicContact SD-CZ 4.33Å
2147E81.8Confident79.7Confident51 Ų5157.2 Ų57.224%0.23827%0.271CS..EExtended strand (participates in β ladder)trans-83.8144171.655.8-178.2170.400110.5Y2103 G2104 K2114 L2149Y2103-E2147 WeakPolarHBondContact CA-O 3.3Å; G2104-E2147 PolarHBondContact N-O 3.31Å; G2104-E2147 VanDerWaalsContact O-CG 3.27Å; G2104-E2147 WeakPolarHBondContact O-CG 3.49Å; G2104-E2147 PolarHBondContact O-N 3.03Å; K2114-E2147 WeakPolarHBondContact CD-OE1 3.26Å; K2114-E2147 WeakPolarHBondContact CE-OE1 3.12Å; K2114-E2147 IonicContact NZ-OE1 3.77Å; K2114-E2147 PolarHBondContact NZ-OE1 3.37Å; K2114-E2147 IonicContact NZ-OE2 3.58Å; K2114-E2147 PolarHBondContact NZ-OE2 3.38Å; E2147-L2149 HydrophobicContact CG-CD2 3.77Å; E2147-L2149 HydrophobicContact CG-CG 4.3Å; E2147-L2149 PolarHBondContact O-N 2.96Å
2148P83.6Confident79.9Confident22 Ų2259.3 Ų59.314%0.14328%0.279CS..EExtended strand (participates in β ladder)trans-72.8117.4171.229.6-32.3000109.7L2102 Y2103 F2174L2102-P2148 CarbonylContact O-C 3.6Å; Y2103-P2148 HydrophobicContact CD1-CB 4.44Å; Y2103-P2148 HydrophobicContact CE1-CB 4.01Å; P2148-F2174 HydrophobicContact CB-CE1 4.43Å
2149L85.5Confident80.1Confident0 Ų062 Ų620%029%0.293CS..EExtended strand (participates in β ladder)trans-97.23-178-63.7178.9000113.1Y2078 L2102 K2114 I2116 E2147 T2182 I2183Y2078-L2149 HydrophobicContact CE1-CB 4.27Å; Y2078-L2149 HydrophobicContact CE1-CD2 4.23Å; L2102-L2149 HydrophobicContact CB-CB 4.13Å; L2102-L2149 PolarHBondContact O-N 3.28Å; K2114-L2149 HydrophobicContact CB-CD1 4.01Å; K2114-L2149 HydrophobicContact CB-CD2 4.01Å; K2114-L2149 HydrophobicContact CD-CD2 3.82Å; K2114-L2149 HydrophobicContact CG-CD2 4.03Å; I2116-L2149 HydrophobicContact CG1-CD1 3.87Å; E2147-L2149 HydrophobicContact CG-CD2 3.77Å; E2147-L2149 HydrophobicContact CG-CG 4.3Å; E2147-L2149 PolarHBondContact O-N 2.96Å; L2149-T2182 WeakPolarHBondContact O-CA 3.38Å; L2149-I2183 VanDerWaalsContact O-CG1 3.22Å; L2149-I2183 WeakPolarHBondContact O-CG1 3.25Å; L2149-I2183 PolarHBondContact O-N 2.86Å
2150G88Confident80.3Confident0 Ų058 Ų580%028%0.283CS..EExtended strand (participates in β ladder)trans119.1-142178.600000113L2102 I2183L2102-G2150 PolarHBondContact N-O 2.9Å; G2150-I2183 CarbonylContact C-O 3.58Å; G2150-I2183 VanDerWaalsContact CA-O 3.29Å; G2150-I2183 WeakPolarHBondContact CA-O 3.32Å
2151W90.6Very high80.5Confident1 Ų159.5 Ų59.50%0.00429%0.289CS..EExtended strand (participates in β ladder)trans-144.9151.4-178.864.1-68.9000112A2099 G2100 Y2101 V2131 H2153 D2166 T2169 H2170 F2174 I2183 V2184 I2185A2099-W2151 HydrophobicContact CB-CE3 3.86Å; A2099-W2151 HydrophobicContact CB-CZ3 4.16Å; G2100-W2151 CarbonylContact O-C 3.52Å; G2100-W2151 VanDerWaalsContact O-CA 3.3Å; G2100-W2151 WeakPolarHBondContact O-CA 3.45Å; G2100-W2151 WeakPolarHBondContact O-CB 3.46Å; Y2101-W2151 HydrophobicContact CD1-CB 4.16Å; V2131-W2151 HydrophobicContact CG1-CH2 4.34Å; V2131-W2151 HydrophobicContact CG1-CZ3 3.74Å; W2151-H2153 HydrophobicContact CE3-CB 3.86Å; W2151-H2153 AromaticContact CE3-CD2 3.95Å; W2151-H2153 HydrophobicContact CH2-CB 4.47Å; W2151-H2153 AromaticContact CH2-CD2 3.66Å; W2151-H2153 AromaticContact CH2-CG 3.95Å; W2151-H2153 AromaticContact CH2-NE2 3.94Å; W2151-H2153 HydrophobicContact CZ3-CB 3.48Å; W2151-H2153 VanDerWaalsContact CZ3-CB 3.48Å; W2151-H2153 AromaticContact CZ3-CD2 3.42Å; W2151-H2153 VanDerWaalsContact CZ3-CD2 3.42Å; W2151-H2153 WeakPolarHBondContact CZ3-CD2 3.43Å; W2151-H2153 AromaticContact CZ3-CG 3.42Å; W2151-H2153 VanDerWaalsContact CZ3-CG 3.42Å; W2151-D2166 HydrophobicContact CH2-CB 4.21Å; W2151-D2166 WeakPolarHBondContact CH2-OD1 3.43Å; W2151-D2166 HydrophobicContact CZ2-CB 4.12Å; W2151-T2169 WeakPolarHBondContact CZ2-OG1 3.14Å; W2151-H2170 AromaticContact CD1-ND1 3.45Å; W2151-H2170 AromaticContact NE1-CG 3.72Å; W2151-H2170 AromaticContact NE1-ND1 3.14Å; W2151-H2170 PolarHBondContact NE1-ND1 2.66Å; W2151-H2170 VanDerWaalsContact NE1-ND1 3.14Å; W2151-F2174 AromaticContact CD1-CE2 3.64Å; W2151-F2174 HydrophobicContact CG-CE2 4.43Å; W2151-I2183 PolarHBondContact N-O 3.1Å; W2151-V2184 HydrophobicContact CD2-CG1 4.44Å; W2151-V2184 HydrophobicContact CH2-CG1 4.28Å; W2151-V2184 HydrophobicContact CZ2-CG1 3.78Å; W2151-V2184 HydrophobicContact CZ2-CG2 4.18Å; W2151-V2184 WeakPolarHBondContact O-CA 3.08Å; W2151-I2185 PolarHBondContact O-N 3.27Å
2152I91.3Very high80.8Confident0 Ų051.9 Ų51.90%025%0.253CS..EExtended strand (participates in β ladder)trans-115.1136.3177.4-177.1164.9000108.6L2080 F2088 A2099 G2100 L2102 I2119 I2185 C2187L2080-I2152 HydrophobicContact CD2-CD1 4.25Å; F2088-I2152 HydrophobicContact CD1-CD1 4.04Å; F2088-I2152 HydrophobicContact CD1-CG1 4.12Å; F2088-I2152 HydrophobicContact CD2-CG2 4.44Å; F2088-I2152 HydrophobicContact CE1-CD1 4.15Å; F2088-I2152 HydrophobicContact CE1-CG1 3.69Å; F2088-I2152 HydrophobicContact CE1-CG2 4.31Å; F2088-I2152 HydrophobicContact CE2-CG2 4.04Å; F2088-I2152 HydrophobicContact CZ-CB 4.48Å; F2088-I2152 HydrophobicContact CZ-CG1 4.12Å; F2088-I2152 HydrophobicContact CZ-CG2 3.97Å; A2099-I2152 CarbonylContact C-O 3.52Å; A2099-I2152 WeakPolarHBondContact CA-O 3.23Å; G2100-I2152 PolarHBondContact N-O 3.38Å; G2100-I2152 WeakPolarHBondContact O-CG2 3.3Å; G2100-I2152 PolarHBondContact O-N 3.46Å; L2102-I2152 HydrophobicContact CD1-CB 4.32Å; L2102-I2152 HydrophobicContact CD2-CB 3.85Å; L2102-I2152 HydrophobicContact CD2-CG2 3.58Å; L2102-I2152 HydrophobicContact CG-CB 4.22Å; L2102-I2152 HydrophobicContact CG-CG2 4.21Å; I2119-I2152 HydrophobicContact CD1-CG2 4.21Å; I2119-I2152 HydrophobicContact CG2-CG2 4.28Å; I2152-I2185 CarbonylContact C-O 3.57Å; I2152-I2185 WeakPolarHBondContact CA-O 3.41Å; I2152-I2185 HydrophobicContact CB-CB 3.99Å; I2152-I2185 HydrophobicContact CD1-CB 4.19Å; I2152-I2185 HydrophobicContact CD1-CG2 3.83Å; I2152-I2185 HydrophobicContact CG1-CB 3.81Å; I2152-I2185 HydrophobicContact CG1-CG2 3.82Å; I2152-C2187 VanDerWaalsContact CD1-SG 3.58Å; I2152-C2187 VanDerWaalsContact CG1-SG 3.59Å
2153H91.2Very high81.3Confident0 Ų045.5 Ų45.50%023%0.229CC..EExtended strand (participates in β ladder)trans-140.7157.517472.8113.5000113Q2097 I2098 A2099 W2151 D2166 I2185 C2187Q2097-H2153 PolarHBondContact OE1-ND1 2.89Å; Q2097-H2153 VanDerWaalsContact OE1-ND1 3.08Å; I2098-H2153 CarbonylContact O-C 3.6Å; I2098-H2153 WeakPolarHBondContact O-CA 3.2Å; I2098-H2153 VanDerWaalsContact O-CB 3.27Å; I2098-H2153 WeakPolarHBondContact O-CB 3.43Å; A2099-H2153 HydrophobicContact CB-CB 4.01Å; W2151-H2153 HydrophobicContact CE3-CB 3.86Å; W2151-H2153 AromaticContact CE3-CD2 3.95Å; W2151-H2153 HydrophobicContact CH2-CB 4.47Å; W2151-H2153 AromaticContact CH2-CD2 3.66Å; W2151-H2153 AromaticContact CH2-CG 3.95Å; W2151-H2153 AromaticContact CH2-NE2 3.94Å; W2151-H2153 HydrophobicContact CZ3-CB 3.48Å; W2151-H2153 VanDerWaalsContact CZ3-CB 3.48Å; W2151-H2153 AromaticContact CZ3-CD2 3.42Å; W2151-H2153 VanDerWaalsContact CZ3-CD2 3.42Å; W2151-H2153 WeakPolarHBondContact CZ3-CD2 3.43Å; W2151-H2153 AromaticContact CZ3-CG 3.42Å; W2151-H2153 VanDerWaalsContact CZ3-CG 3.42Å; H2153-D2166 VanDerWaalsContact CE1-CG 3.47Å; H2153-D2166 IonicContact CE1-OD1 3.09Å; H2153-D2166 PolarHBondContact CE1-OD1 3.49Å; H2153-D2166 VanDerWaalsContact CE1-OD1 3.26Å; H2153-D2166 IonicContact CE1-OD2 4Å; H2153-D2166 PolarHBondContact CE1-OD2 3.17Å; H2153-D2166 IonicContact ND1-OD1 2.69Å; H2153-D2166 IonicContact NE2-OD1 3.75Å; H2153-D2166 IonicContact NE2-OD2 2.99Å; H2153-I2185 PolarHBondContact N-O 3.13Å; H2153-C2187 WeakPolarHBondContact O-CB 3.47Å; H2153-C2187 PolarHBondContact O-N 3.22Å
2154T89.1Confident81.6Confident1 Ų145.6 Ų45.61%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-90.8138.2176.558.60000111.6F2088 Q2097 I2098 C2187 F2189F2088-T2154 HydrophobicContact CD1-CG2 4.19Å; F2088-T2154 HydrophobicContact CE1-CG2 3.53Å; F2088-T2154 HydrophobicContact CZ-CG2 4.15Å; Q2097-T2154 WeakPolarHBondContact CA-O 3.31Å; Q2097-T2154 VanDerWaalsContact CB-O 3.32Å; Q2097-T2154 WeakPolarHBondContact CB-O 3.23Å; Q2097-T2154 WeakPolarHBondContact CG-O 3.41Å; I2098-T2154 HydrophobicContact CD1-CG2 4.27Å; I2098-T2154 HydrophobicContact CG1-CG2 3.64Å; I2098-T2154 WeakPolarHBondContact CG1-OG1 3.18Å; I2098-T2154 PolarHBondContact N-OG1 3.1Å; I2098-T2154 PolarHBondContact O-N 3.49Å; T2154-C2187 CarbonylContact C-O 3.47Å; T2154-C2187 WeakPolarHBondContact CA-O 3.14Å; T2154-C2187 HydrophobicContact CG2-CB 4.23Å; T2154-F2189 HydrophobicContact CG2-CE2 3.86Å; T2154-F2189 HydrophobicContact CG2-CZ 3.65Å
2155Q85.6Confident81.9Confident6 Ų638.1 Ų38.13%0.02820%0.198CC..EExtended strand (participates in β ladder)trans-119.5127.8178.9-157.4179.412.700109.7N2157 C2187 S2188 F2189Q2155-N2157 WeakPolarHBondContact CG-O 3.4Å; Q2155-C2187 PolarHBondContact N-O 3.16Å; Q2155-S2188 WeakPolarHBondContact O-CA 3.32Å; Q2155-S2188 PolarHBondContact OE1-OG 3.49Å; Q2155-F2189 PolarHBondContact O-N 3.36Å
2156P80.5Confident82.4Confident22 Ų2230.2 Ų30.214%0.14316%0.161CC..SBendtrans-74.4-30.3-175.429.2-36.2000113.3L2094 R2095 H2128L2094-P2156 VanDerWaalsContact O-CB 3.29Å; L2094-P2156 WeakPolarHBondContact O-CB 3.36Å; R2095-P2156 WeakPolarHBondContact O-CG 3.47Å; H2128-P2156 VanDerWaalsContact O-CG 3.26Å; H2128-P2156 WeakPolarHBondContact O-CG 3.38Å
2157N77.6Confident82.9Confident118 Ų11828.9 Ų28.963%0.63115%0.154SC*.SBendtrans-120.1139.6176.4-65-23.8000108.1Q2155 L2159Q2155-N2157 WeakPolarHBondContact CG-O 3.4Å; N2157-L2159 PolarHBondContact O-N 3.08Å; N2157-L2159 VanDerWaalsContact O-N 3.13Å
2158E76.5Confident83Confident107 Ų10727.1 Ų27.150%0.515%0.147SC..  trans-68110.2170.3-172.6166.3-145.200109T2190 S2195E2158-T2190 HydrophobicContact CB-CG2 4.46Å; E2158-T2190 VanDerWaalsContact OE2-CG2 3.32Å; E2158-T2190 WeakPolarHBondContact OE2-CG2 3.33Å; E2158-S2195 VanDerWaalsContact OE1-CB 3.3Å; E2158-S2195 WeakPolarHBondContact OE1-CB 3.36Å; E2158-S2195 PolarHBondContact OE1-OG 3.43Å
2159L74.8Confident82.9Confident66 Ų6627.6 Ų27.635%0.34615%0.15SC..  trans-97.2134.4168.5-66.5-179.3000108.8N2157 Q2161N2157-L2159 PolarHBondContact O-N 3.08Å; N2157-L2159 VanDerWaalsContact O-N 3.13Å; L2159-Q2161 HydrophobicContact CB-CG 4.48Å; L2159-Q2161 WeakPolarHBondContact CB-O 3.41Å; L2159-Q2161 PolarHBondContact O-N 3.25Å
2160P72.4Confident83Confident97 Ų9727.6 Ų27.663%0.6315%0.15SC*.SBendtrans-70.8-9.2171.728.6-33.2000112.6R2229P2160-R2229 PolarHBondContact O-NH2 3.16Å
2161Q77.3Confident82.8Confident73 Ų7327.7 Ų27.734%0.34115%0.151SC..SBendtrans-122.3146.7-176.858.9-173.616.800111.2L2159 S2163 Y2227L2159-Q2161 HydrophobicContact CB-CG 4.48Å; L2159-Q2161 WeakPolarHBondContact CB-O 3.41Å; L2159-Q2161 PolarHBondContact O-N 3.25Å; Q2161-S2163 PolarHBondContact O-N 3.03Å; Q2161-Y2227 WeakPolarHBondContact CA-OH 3.39Å; Q2161-Y2227 HydrophobicContact CB-CE1 4.31Å; Q2161-Y2227 WeakPolarHBondContact CB-OH 3.39Å
2162L80.8Confident82.2Confident1 Ų133.3 Ų33.31%0.00518%0.175CC..  trans-66.1132.2169.2-169.167.2000108.6D2166 I2167 V2184 T2186 H2199 L2201 Y2222 Y2227L2162-D2166 HydrophobicContact CD1-CB 3.79Å; L2162-D2166 HydrophobicContact CG-CB 3.92Å; L2162-I2167 HydrophobicContact CD2-CG1 3.65Å; L2162-I2167 HydrophobicContact CG-CG1 4.11Å; L2162-V2184 HydrophobicContact CD1-CB 4.16Å; L2162-V2184 HydrophobicContact CD1-CG1 3.95Å; L2162-T2186 HydrophobicContact CD1-CG2 4Å; L2162-H2199 HydrophobicContact CD1-CB 4.02Å; L2162-H2199 HydrophobicContact CD2-CB 4.08Å; L2162-H2199 HydrophobicContact CG-CB 4.48Å; L2162-L2201 HydrophobicContact CD2-CD2 3.99Å; L2162-Y2222 PolarHBondContact O-OH 3.18Å; L2162-Y2227 HydrophobicContact CB-CD1 3.62Å; L2162-Y2227 HydrophobicContact CB-CD2 3.77Å; L2162-Y2227 HydrophobicContact CB-CE1 4.08Å; L2162-Y2227 HydrophobicContact CB-CE2 4.24Å; L2162-Y2227 HydrophobicContact CB-CG 3.46Å; L2162-Y2227 VanDerWaalsContact CB-CG 3.46Å; L2162-Y2227 HydrophobicContact CD2-CG 4.17Å; L2162-Y2227 HydrophobicContact CG-CG 4.45Å
2163S81.9Confident81.5Confident7 Ų735 Ų355%0.04918%0.184CC..  trans-67.5149.7-174.1830000111.1Q2161 Q2165 D2166 I2167Q2161-S2163 PolarHBondContact O-N 3.03Å; S2163-Q2165 PolarHBondContact O-N 3.47Å; S2163-Q2165 VanDerWaalsContact O-N 3.09Å; S2163-Q2165 PolarHBondContact OG-N 3.05Å; S2163-D2166 VanDerWaalsContact CB-OD2 3.24Å; S2163-D2166 WeakPolarHBondContact CB-OD2 3.38Å; S2163-D2166 PolarHBondContact N-OD2 3.28Å; S2163-D2166 PolarHBondContact O-N 2.64Å; S2163-D2166 VanDerWaalsContact O-N 3.1Å; S2163-D2166 PolarHBondContact OG-N 2.92Å; S2163-D2166 PolarHBondContact OG-OD1 3.36Å; S2163-D2166 PolarHBondContact OG-OD2 2.89Å; S2163-I2167 PolarHBondContact O-N 2.92Å
2164P81.2Confident80.9Confident11 Ų1135.1 Ų35.17%0.07119%0.185CC..Hα-helixtrans-55.6-29.1175-17.123.1000112.9T2168 W2208 I2217 P2219 Y2222P2164-T2168 PolarHBondContact O-N 3.34Å; P2164-T2168 PolarHBondContact O-OG1 3.43Å; P2164-W2208 HydrophobicContact CB-CH2 3.72Å; P2164-W2208 HydrophobicContact CB-CZ3 4.43Å; P2164-W2208 WeakPolarHBondContact O-CH2 3.07Å; P2164-W2208 WeakPolarHBondContact O-CZ3 3.37Å; P2164-I2217 WeakPolarHBondContact CG-O 3.3Å; P2164-P2219 HydrophobicContact CB-CG 3.31Å; P2164-P2219 HydrophobicContact CG-CG 4.1Å; P2164-Y2222 HydrophobicContact CB-CD2 3.5Å; P2164-Y2222 VanDerWaalsContact CB-CD2 3.5Å; P2164-Y2222 HydrophobicContact CB-CE2 3.77Å; P2164-Y2222 HydrophobicContact CB-CG 4.01Å; P2164-Y2222 HydrophobicContact CG-CD1 4.07Å; P2164-Y2222 HydrophobicContact CG-CD2 3.57Å; P2164-Y2222 HydrophobicContact CG-CE1 4.04Å; P2164-Y2222 HydrophobicContact CG-CE2 3.53Å; P2164-Y2222 HydrophobicContact CG-CG 3.83Å
2165Q79.9Confident80.1Confident22 Ų2238.4 Ų38.410%0.10321%0.207CC..Hα-helixtrans-77.8-38.3-179.7-67.1160.4-2000111.5Q2129 T2130 S2163 I2167 T2168 T2169 K2215Q2129-Q2165 VanDerWaalsContact C-OE1 3.3Å; Q2129-Q2165 PolarHBondContact O-OE1 2.91Å; T2130-Q2165 HydrophobicContact CG2-CB 3.71Å; T2130-Q2165 HydrophobicContact CG2-CG 3.62Å; S2163-Q2165 PolarHBondContact O-N 3.47Å; S2163-Q2165 VanDerWaalsContact O-N 3.09Å; S2163-Q2165 PolarHBondContact OG-N 3.05Å; Q2165-I2167 VanDerWaalsContact C-N 3.3Å; Q2165-I2167 PolarHBondContact O-N 3.4Å; Q2165-T2168 WeakPolarHBondContact O-CB 3.32Å; Q2165-T2168 PolarHBondContact O-N 2.82Å; Q2165-T2168 VanDerWaalsContact O-N 3.16Å; Q2165-T2169 WeakPolarHBondContact O-CG2 3.31Å; Q2165-T2169 PolarHBondContact O-N 3.05Å; Q2165-T2169 PolarHBondContact O-OG1 3.43Å; Q2165-K2215 PolarHBondContact NE2-O 3.36Å
2166D84.2Confident79.2Confident1 Ų145.3 Ų45.31%0.00525%0.245CC..Hα-helixtrans-63.8-36.9175.8-60.3-31.3000111.6W2151 H2153 L2162 S2163 T2169 H2170W2151-D2166 HydrophobicContact CH2-CB 4.21Å; W2151-D2166 WeakPolarHBondContact CH2-OD1 3.43Å; W2151-D2166 HydrophobicContact CZ2-CB 4.12Å; H2153-D2166 VanDerWaalsContact CE1-CG 3.47Å; H2153-D2166 IonicContact CE1-OD1 3.09Å; H2153-D2166 PolarHBondContact CE1-OD1 3.49Å; H2153-D2166 VanDerWaalsContact CE1-OD1 3.26Å; H2153-D2166 IonicContact CE1-OD2 4Å; H2153-D2166 PolarHBondContact CE1-OD2 3.17Å; H2153-D2166 IonicContact ND1-OD1 2.69Å; H2153-D2166 IonicContact NE2-OD1 3.75Å; H2153-D2166 IonicContact NE2-OD2 2.99Å; L2162-D2166 HydrophobicContact CD1-CB 3.79Å; L2162-D2166 HydrophobicContact CG-CB 3.92Å; S2163-D2166 VanDerWaalsContact CB-OD2 3.24Å; S2163-D2166 WeakPolarHBondContact CB-OD2 3.38Å; S2163-D2166 PolarHBondContact N-OD2 3.28Å; S2163-D2166 PolarHBondContact O-N 2.64Å; S2163-D2166 VanDerWaalsContact O-N 3.1Å; S2163-D2166 PolarHBondContact OG-N 2.92Å; S2163-D2166 PolarHBondContact OG-OD1 3.36Å; S2163-D2166 PolarHBondContact OG-OD2 2.89Å; D2166-T2169 VanDerWaalsContact CA-OG1 3.3Å; D2166-T2169 WeakPolarHBondContact CA-OG1 3.31Å; D2166-T2169 PolarHBondContact O-OG1 3.17Å; D2166-H2170 WeakPolarHBondContact O-CB 3.36Å; D2166-H2170 PolarHBondContact O-N 3.44Å
2167I86.2Confident78.4Confident0 Ų048.2 Ų48.20%026%0.256CS..Hα-helixtrans-65.8-43.6173.6-61.8159.9000110.8L2162 S2163 Q2165 A2171 L2201 G2205 W2208 Y2222 H2226 Y2227L2162-I2167 HydrophobicContact CD2-CG1 3.65Å; L2162-I2167 HydrophobicContact CG-CG1 4.11Å; S2163-I2167 PolarHBondContact O-N 2.92Å; Q2165-I2167 VanDerWaalsContact C-N 3.3Å; Q2165-I2167 PolarHBondContact O-N 3.4Å; I2167-A2171 WeakPolarHBondContact O-CB 3.48Å; I2167-A2171 PolarHBondContact O-N 2.94Å; I2167-L2201 HydrophobicContact CB-CD2 3.92Å; I2167-L2201 HydrophobicContact CG1-CD2 3.69Å; I2167-L2201 HydrophobicContact CG2-CD1 4.26Å; I2167-L2201 HydrophobicContact CG2-CD2 3.66Å; I2167-G2205 VanDerWaalsContact CG2-O 3.25Å; I2167-G2205 WeakPolarHBondContact CG2-O 3.3Å; I2167-W2208 HydrophobicContact CB-CE3 4.2Å; I2167-W2208 HydrophobicContact CB-CZ3 3.82Å; I2167-W2208 HydrophobicContact CD1-CZ3 4.16Å; I2167-W2208 HydrophobicContact CG2-CE3 3.5Å; I2167-W2208 HydrophobicContact CG2-CZ3 3.66Å; I2167-Y2222 HydrophobicContact CD1-CD2 4.01Å; I2167-Y2222 HydrophobicContact CD1-CE2 3.6Å; I2167-H2226 HydrophobicContact CD1-CB 3.75Å; I2167-Y2227 HydrophobicContact CD1-CD1 4.01Å
2168T84.7Confident77.8Confident15 Ų1546.3 Ų46.39%0.09225%0.246CC..Hα-helixtrans-66-39.3179.7-55.60000111.6P2164 Q2165 K2172 N2212P2164-T2168 PolarHBondContact O-N 3.34Å; P2164-T2168 PolarHBondContact O-OG1 3.43Å; Q2165-T2168 WeakPolarHBondContact O-CB 3.32Å; Q2165-T2168 PolarHBondContact O-N 2.82Å; Q2165-T2168 VanDerWaalsContact O-N 3.16Å; T2168-K2172 HydrophobicContact CG2-CD 4.1Å; T2168-K2172 VanDerWaalsContact CG2-NZ 3.34Å; T2168-K2172 WeakPolarHBondContact O-CB 3.49Å; T2168-K2172 WeakPolarHBondContact O-CD 3.23Å; T2168-K2172 VanDerWaalsContact O-CG 3.23Å; T2168-K2172 WeakPolarHBondContact O-CG 3.03Å; T2168-K2172 PolarHBondContact O-N 3.33Å; T2168-N2212 HydrophobicContact CG2-CB 4.36Å; T2168-N2212 PolarHBondContact OG1-ND2 3.33Å
2169T82.3Confident77.4Confident31 Ų3142.2 Ų42.219%0.1923%0.232CC..Hα-helixtrans-73-44.6177.548.40000111.5W2151 Q2165 D2166 A2171 K2172 I2173W2151-T2169 WeakPolarHBondContact CZ2-OG1 3.14Å; Q2165-T2169 WeakPolarHBondContact O-CG2 3.31Å; Q2165-T2169 PolarHBondContact O-N 3.05Å; Q2165-T2169 PolarHBondContact O-OG1 3.43Å; D2166-T2169 VanDerWaalsContact CA-OG1 3.3Å; D2166-T2169 WeakPolarHBondContact CA-OG1 3.31Å; D2166-T2169 PolarHBondContact O-OG1 3.17Å; T2169-A2171 PolarHBondContact O-N 3Å; T2169-K2172 PolarHBondContact O-N 3.4Å; T2169-I2173 WeakPolarHBondContact O-CB 3.39Å; T2169-I2173 WeakPolarHBondContact O-CD1 3.34Å; T2169-I2173 VanDerWaalsContact O-CG1 3.22Å; T2169-I2173 WeakPolarHBondContact O-CG1 3.42Å; T2169-I2173 PolarHBondContact O-N 3.37Å
2170H86.8Confident77.1Confident0 Ų045.7 Ų45.70%025%0.247CC..Hα-helixtrans-61.5-45.2177.7-170.399.2000111.5W2151 D2166 K2172 I2173 F2174 T2182 V2184 L2201 Y2206W2151-H2170 AromaticContact CD1-ND1 3.45Å; W2151-H2170 AromaticContact NE1-CG 3.72Å; W2151-H2170 AromaticContact NE1-ND1 3.14Å; W2151-H2170 PolarHBondContact NE1-ND1 2.66Å; W2151-H2170 VanDerWaalsContact NE1-ND1 3.14Å; D2166-H2170 WeakPolarHBondContact O-CB 3.36Å; D2166-H2170 PolarHBondContact O-N 3.44Å; H2170-K2172 VanDerWaalsContact C-N 3.33Å; H2170-K2172 PolarHBondContact O-N 2.74Å; H2170-I2173 PolarHBondContact O-N 2.94Å; H2170-F2174 AromaticContact ND1-CD2 3.96Å; H2170-F2174 PolarHBondContact O-N 3.4Å; H2170-T2182 PolarHBondContact NE2-OG1 3Å; H2170-V2184 HydrophobicContact CB-CG2 3.96Å; H2170-V2184 WeakPolarHBondContact ND1-CG2 3.22Å; H2170-L2201 HydrophobicContact CB-CD1 3.92Å; H2170-L2201 HydrophobicContact CB-CG 4.33Å; H2170-L2201 WeakPolarHBondContact CD2-CD1 3.4Å; H2170-Y2206 AromaticContact CD2-CZ 3.83Å; H2170-Y2206 PolarHBondContact CD2-OH 2.9Å; H2170-Y2206 AromaticContact NE2-CZ 3.95Å; H2170-Y2206 PolarHBondContact NE2-OH 3.01Å
2171A83.3Confident77.2Confident3 Ų344 Ų443%0.02523%0.23CC..Hα-helixtrans-64.9-31.8177.300000113.7I2167 T2169 L2201 Y2206I2167-A2171 WeakPolarHBondContact O-CB 3.48Å; I2167-A2171 PolarHBondContact O-N 2.94Å; T2169-A2171 PolarHBondContact O-N 3Å; A2171-L2201 HydrophobicContact CB-CD1 4.05Å; A2171-Y2206 HydrophobicContact CB-CD1 4.1Å
2172K79.4Confident77.5Confident118 Ų11840.6 Ų40.651%0.51321%0.214SC..Hα-helixtrans-78.5-28177.7-77.5174.9-175.1168.70113.7T2168 T2169 H2170 N2212T2168-K2172 HydrophobicContact CG2-CD 4.1Å; T2168-K2172 VanDerWaalsContact CG2-NZ 3.34Å; T2168-K2172 WeakPolarHBondContact O-CB 3.49Å; T2168-K2172 WeakPolarHBondContact O-CD 3.23Å; T2168-K2172 VanDerWaalsContact O-CG 3.23Å; T2168-K2172 WeakPolarHBondContact O-CG 3.03Å; T2168-K2172 PolarHBondContact O-N 3.33Å; T2169-K2172 PolarHBondContact O-N 3.4Å; H2170-K2172 VanDerWaalsContact C-N 3.33Å; H2170-K2172 PolarHBondContact O-N 2.74Å; K2172-N2212 PolarHBondContact NZ-O 3.04Å
2173I76.4Confident77.9Confident37 Ų3740.5 Ų40.519%0.1921%0.214CC..Hα-helixtrans-89.4-40-176.5-67.9167.6000111.5Y2101 L2133 L2137 T2169 H2170Y2101-I2173 HydrophobicContact CE1-CD1 4.34Å; Y2101-I2173 HydrophobicContact CE1-CG2 3.85Å; L2133-I2173 HydrophobicContact CD1-CD1 3.79Å; L2137-I2173 HydrophobicContact CD2-CG2 4.29Å; T2169-I2173 WeakPolarHBondContact O-CB 3.39Å; T2169-I2173 WeakPolarHBondContact O-CD1 3.34Å; T2169-I2173 VanDerWaalsContact O-CG1 3.22Å; T2169-I2173 WeakPolarHBondContact O-CG1 3.42Å; T2169-I2173 PolarHBondContact O-N 3.37Å; H2170-I2173 PolarHBondContact O-N 2.94Å
2174F78.3Confident78.3Confident2 Ų240.2 Ų40.21%0.00921%0.211CC..SBendtrans-106.123.4-173.1-65.1-79.3000113Y2101 P2148 W2151 H2170 D2176 Q2177 T2182Y2101-F2174 HydrophobicContact CD1-CZ 4.27Å; P2148-F2174 HydrophobicContact CB-CE1 4.43Å; W2151-F2174 AromaticContact CD1-CE2 3.64Å; W2151-F2174 HydrophobicContact CG-CE2 4.43Å; H2170-F2174 AromaticContact ND1-CD2 3.96Å; H2170-F2174 PolarHBondContact O-N 3.4Å; F2174-D2176 PolarHBondContact O-N 3.46Å; F2174-D2176 VanDerWaalsContact O-N 3.13Å; F2174-Q2177 HydrophobicContact CB-CB 4.42Å; F2174-Q2177 HydrophobicContact CD1-CB 4.05Å; F2174-Q2177 HydrophobicContact CD1-CG 4.23Å; F2174-Q2177 PolarHBondContact O-N 2.87Å; F2174-T2182 HydrophobicContact CB-CG2 4.42Å; F2174-T2182 HydrophobicContact CD1-CG2 3.57Å; F2174-T2182 HydrophobicContact CE1-CG2 4Å; F2174-T2182 HydrophobicContact CG-CG2 4.03Å
2175S71Confident78.6Confident69 Ų6939.7 Ų39.748%0.48321%0.208SC..THydrogen-bonded Turntrans-58.6-26.2178.162.20000113.8
2176D67.3Low79.1Confident152 Ų15238.8 Ų38.881%0.81320%0.204SC*.THydrogen-bonded Turntrans-108.13.3-172.3-57.1-7.5000112.5F2174F2174-D2176 PolarHBondContact O-N 3.46Å; F2174-D2176 VanDerWaalsContact O-N 3.13Å
2177Q64.3Low79.2Confident82 Ų8238.7 Ų38.738%0.38320%0.204SC..SBendtrans-116.6163.5-175.8-71.5-91.1-1300110.5F2174 G2179F2174-Q2177 HydrophobicContact CB-CB 4.42Å; F2174-Q2177 HydrophobicContact CD1-CB 4.05Å; F2174-Q2177 HydrophobicContact CD1-CG 4.23Å; F2174-Q2177 PolarHBondContact O-N 2.87Å; Q2177-G2179 PolarHBondContact O-N 3.1Å
2178D65.4Low79.2Confident78 Ų7838.8 Ų38.842%0.41720%0.204SC..  trans-69.298.9-176.3-165.50.3000111.4E2180 K2181D2178-E2180 PolarHBondContact O-N 2.8Å; D2178-K2181 HydrophobicContact CB-CD 4.22Å; D2178-K2181 PolarHBondContact O-N 3.11Å; D2178-K2181 WeakPolarHBondContact OD2-CD 3.35Å; D2178-K2181 VanDerWaalsContact OD2-CE 3.24Å; D2178-K2181 WeakPolarHBondContact OD2-CE 3.49Å; D2178-K2181 IonicContact OD2-NZ 3.68Å; D2178-K2181 PolarHBondContact OD2-NZ 3.33Å
2179G66.5Low79.2Confident21 Ų2138.7 Ų38.722%0.21620%0.202CC..THydrogen-bonded Turntrans-62.5-13.4-170.900000115.5Q2177 T2182 Y2206Q2177-G2179 PolarHBondContact O-N 3.1Å; G2179-T2182 PolarHBondContact O-OG1 3.03Å; G2179-Y2206 WeakPolarHBondContact CA-OH 3.46Å
2180E69.3Low79.1Confident140 Ų14038.1 Ų38.165%0.65420%0.199SC*.THydrogen-bonded Turntrans-79.4-24173-71.4-159.7154.100113.8D2178D2178-E2180 PolarHBondContact O-N 2.8Å
2181K75.3Confident78.4Confident61 Ų6144 Ų4427%0.26524%0.237SC..THydrogen-bonded Turntrans-96.6-9.4-176.3-66.6176.6-177.9139.70113.5Y2076 Y2078 D2178Y2076-K2181 HydrophobicContact CE2-CG 4.01Å; Y2078-K2181 PolarHBondContact OH-O 3.16Å; D2178-K2181 HydrophobicContact CB-CD 4.22Å; D2178-K2181 PolarHBondContact O-N 3.11Å; D2178-K2181 WeakPolarHBondContact OD2-CD 3.35Å; D2178-K2181 VanDerWaalsContact OD2-CE 3.24Å; D2178-K2181 WeakPolarHBondContact OD2-CE 3.49Å; D2178-K2181 IonicContact OD2-NZ 3.68Å; D2178-K2181 PolarHBondContact OD2-NZ 3.33Å
2182T83.9Confident78Confident1 Ų146 Ų461%0.00626%0.257CS..  trans-101.8127.5-175.155.90000111.2L2149 H2170 F2174 G2179 Y2206L2149-T2182 WeakPolarHBondContact O-CA 3.38Å; H2170-T2182 PolarHBondContact NE2-OG1 3Å; F2174-T2182 HydrophobicContact CB-CG2 4.42Å; F2174-T2182 HydrophobicContact CD1-CG2 3.57Å; F2174-T2182 HydrophobicContact CE1-CG2 4Å; F2174-T2182 HydrophobicContact CG-CG2 4.03Å; G2179-T2182 PolarHBondContact O-OG1 3.03Å; T2182-Y2206 PolarHBondContact OG1-OH 2.95Å
2183I88.5Confident78.1Confident0 Ų040.9 Ų40.90%024%0.237CC..EExtended strand (participates in β ladder)trans-119.7159.4178.654.7161.8000113.3Y2078 L2102 L2149 G2150 W2151 I2185 A2198 H2199 V2230Y2078-I2183 HydrophobicContact CD1-CD1 3.44Å; Y2078-I2183 VanDerWaalsContact CD1-CD1 3.44Å; Y2078-I2183 HydrophobicContact CD1-CG1 3.88Å; Y2078-I2183 HydrophobicContact CD2-CD1 3.72Å; Y2078-I2183 HydrophobicContact CD2-CG1 4.44Å; Y2078-I2183 HydrophobicContact CD2-CG2 4.07Å; Y2078-I2183 HydrophobicContact CE1-CD1 3.85Å; Y2078-I2183 HydrophobicContact CE1-CG1 3.77Å; Y2078-I2183 HydrophobicContact CE1-CG2 4.07Å; Y2078-I2183 HydrophobicContact CE2-CD1 4.13Å; Y2078-I2183 HydrophobicContact CE2-CG1 4.37Å; Y2078-I2183 HydrophobicContact CE2-CG2 3.42Å; Y2078-I2183 VanDerWaalsContact CE2-CG2 3.42Å; Y2078-I2183 HydrophobicContact CG-CD1 3.36Å; Y2078-I2183 HydrophobicContact CG-CG1 4.22Å; Y2078-I2183 VanDerWaalsContact CZ-CG2 3.41Å; L2102-I2183 HydrophobicContact CD1-CD1 4.5Å; L2102-I2183 HydrophobicContact CD1-CG1 4.34Å; L2149-I2183 VanDerWaalsContact O-CG1 3.22Å; L2149-I2183 WeakPolarHBondContact O-CG1 3.25Å; L2149-I2183 PolarHBondContact O-N 2.86Å; G2150-I2183 CarbonylContact C-O 3.58Å; G2150-I2183 VanDerWaalsContact CA-O 3.29Å; G2150-I2183 WeakPolarHBondContact CA-O 3.32Å; W2151-I2183 PolarHBondContact N-O 3.1Å; I2183-I2185 HydrophobicContact CD1-CD1 3.82Å; I2183-I2185 HydrophobicContact CD1-CG1 3.6Å; I2183-I2185 HydrophobicContact CG1-CG1 4.31Å; I2183-A2198 HydrophobicContact CD1-CB 4.14Å; I2183-H2199 CarbonylContact C-O 3.57Å; I2183-H2199 WeakPolarHBondContact CA-O 3.38Å; I2183-V2230 HydrophobicContact CG2-CB 4.41Å; I2183-V2230 HydrophobicContact CG2-CG2 4.15Å
2184V89.3Confident78.4Confident0 Ų039.1 Ų39.10%023%0.228CC..EExtended strand (participates in β ladder)trans-105.7112.1165.9-171.90000108.1W2151 L2162 H2170 T2186 A2198 H2199W2151-V2184 HydrophobicContact CD2-CG1 4.44Å; W2151-V2184 HydrophobicContact CH2-CG1 4.28Å; W2151-V2184 HydrophobicContact CZ2-CG1 3.78Å; W2151-V2184 HydrophobicContact CZ2-CG2 4.18Å; W2151-V2184 WeakPolarHBondContact O-CA 3.08Å; L2162-V2184 HydrophobicContact CD1-CB 4.16Å; L2162-V2184 HydrophobicContact CD1-CG1 3.95Å; H2170-V2184 HydrophobicContact CB-CG2 3.96Å; H2170-V2184 WeakPolarHBondContact ND1-CG2 3.22Å; V2184-T2186 HydrophobicContact CG1-CG2 4.29Å; V2184-A2198 CarbonylContact O-C 3.59Å; V2184-A2198 WeakPolarHBondContact O-CA 3.01Å; V2184-H2199 PolarHBondContact N-O 3.03Å; V2184-H2199 PolarHBondContact O-N 2.91Å
2185I89.4Confident78.8Confident0 Ų039.3 Ų39.30%023%0.229CC..EExtended strand (participates in β ladder)trans-92.5113.8171.8-58.5-180000108.6L2102 I2116 W2151 I2152 H2153 I2183 L2196 C2197 A2198 M2232L2102-I2185 HydrophobicContact CD1-CD1 3.48Å; L2102-I2185 VanDerWaalsContact CD1-CD1 3.48Å; L2102-I2185 HydrophobicContact CD1-CG1 3.86Å; I2116-I2185 HydrophobicContact CD1-CD1 3.81Å; W2151-I2185 PolarHBondContact O-N 3.27Å; I2152-I2185 CarbonylContact C-O 3.57Å; I2152-I2185 WeakPolarHBondContact CA-O 3.41Å; I2152-I2185 HydrophobicContact CB-CB 3.99Å; I2152-I2185 HydrophobicContact CD1-CB 4.19Å; I2152-I2185 HydrophobicContact CD1-CG2 3.83Å; I2152-I2185 HydrophobicContact CG1-CB 3.81Å; I2152-I2185 HydrophobicContact CG1-CG2 3.82Å; H2153-I2185 PolarHBondContact N-O 3.13Å; I2183-I2185 HydrophobicContact CD1-CD1 3.82Å; I2183-I2185 HydrophobicContact CD1-CG1 3.6Å; I2183-I2185 HydrophobicContact CG1-CG1 4.31Å; I2185-L2196 HydrophobicContact CG2-CD2 3.87Å; I2185-C2197 WeakPolarHBondContact CA-O 3.48Å; I2185-A2198 HydrophobicContact CG1-CB 4.34Å; I2185-M2232 HydrophobicContact CD1-SD 4.04Å; I2185-M2232 HydrophobicContact CG1-SD 4.46Å; I2185-M2232 HydrophobicContact CG2-SD 4.03Å
2186T88.8Confident79.4Confident3 Ų336 Ų362%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-93.3112.2175.762.60000109.4L2162 V2184 L2196 C2197L2162-T2186 HydrophobicContact CD1-CG2 4Å; V2184-T2186 HydrophobicContact CG1-CG2 4.29Å; T2186-L2196 WeakPolarHBondContact O-CA 3.35Å; T2186-C2197 PolarHBondContact N-O 2.96Å; T2186-C2197 PolarHBondContact O-N 2.97Å; T2186-C2197 VanDerWaalsContact O-N 3.13Å; T2186-C2197 WeakPolarHBondContact OG1-CB 3.17Å; T2186-C2197 PolarHBondContact OG1-O 3.1Å; T2186-C2197 VanDerWaalsContact OG1-O 3.11Å
2187C87.5Confident80.3Confident0 Ų029.3 Ų29.30%017%0.171CC..EExtended strand (participates in β ladder)trans-94.190.8175.3-63.60000110.2I2152 H2153 T2154 Q2155 V2194 S2195 L2196I2152-C2187 VanDerWaalsContact CD1-SG 3.58Å; I2152-C2187 VanDerWaalsContact CG1-SG 3.59Å; H2153-C2187 WeakPolarHBondContact O-CB 3.47Å; H2153-C2187 PolarHBondContact O-N 3.22Å; T2154-C2187 CarbonylContact C-O 3.47Å; T2154-C2187 WeakPolarHBondContact CA-O 3.14Å; T2154-C2187 HydrophobicContact CG2-CB 4.23Å; Q2155-C2187 PolarHBondContact N-O 3.16Å; C2187-V2194 HydrophobicContact CB-CG1 4.47Å; C2187-S2195 CarbonylContact C-O 3.55Å; C2187-L2196 HydrophobicContact CB-CD2 4.19Å; C2187-L2196 WeakPolarHBondContact SG-CD2 3.31Å
2188S86.3Confident81.3Confident1 Ų125.6 Ų25.61%0.00715%0.154CC..EExtended strand (participates in β ladder)trans-82.7128.9-177.3-68.40000112.5Q2155 T2190 V2194 S2195Q2155-S2188 WeakPolarHBondContact O-CA 3.32Å; Q2155-S2188 PolarHBondContact OE1-OG 3.49Å; S2188-T2190 PolarHBondContact O-N 2.9Å; S2188-V2194 CarbonylContact O-C 3.55Å; S2188-V2194 WeakPolarHBondContact O-CA 3.45Å; S2188-S2195 PolarHBondContact N-O 3.41Å; S2188-S2195 PolarHBondContact O-N 2.77Å
2189F84.5Confident82.3Confident14 Ų1422 Ų226%0.06114%0.135CC..  trans-88.987.1-178-75.8-40.9000113.2L2057 R2060 I2089 S2092 D2093 L2094 T2154 Q2155 V2194L2057-F2189 HydrophobicContact CD2-CD1 4.27Å; L2057-F2189 HydrophobicContact CD2-CE1 3.95Å; L2057-F2189 HydrophobicContact CD2-CZ 4.16Å; R2060-F2189 VanDerWaalsContact NH1-CB 3.33Å; R2060-F2189 PolarHBondContact NH1-O 3.43Å; I2089-F2189 HydrophobicContact CG2-CE1 4.07Å; S2092-F2189 WeakPolarHBondContact OG-CZ 3.16Å; D2093-F2189 WeakPolarHBondContact O-CE2 3.38Å; L2094-F2189 HydrophobicContact CD2-CB 4.3Å; L2094-F2189 HydrophobicContact CD2-CD2 4.38Å; L2094-F2189 HydrophobicContact CD2-CG 4.21Å; T2154-F2189 HydrophobicContact CG2-CE2 3.86Å; T2154-F2189 HydrophobicContact CG2-CZ 3.65Å; Q2155-F2189 PolarHBondContact O-N 3.36Å; F2189-V2194 HydrophobicContact CD1-CG2 4.08Å; F2189-V2194 HydrophobicContact CE1-CG2 4.14Å
2190T78.9Confident83.2Confident18 Ų1823.6 Ų23.611%0.1114%0.136CC..  trans-78.6156.9174.246.70000112.6R2060 E2158 S2188 G2192 S2193R2060-T2190 PolarHBondContact NH1-O 3.27Å; E2158-T2190 HydrophobicContact CB-CG2 4.46Å; E2158-T2190 VanDerWaalsContact OE2-CG2 3.32Å; E2158-T2190 WeakPolarHBondContact OE2-CG2 3.33Å; S2188-T2190 PolarHBondContact O-N 2.9Å; T2190-G2192 PolarHBondContact O-N 2.88Å; T2190-S2193 WeakPolarHBondContact CB-OG 3.38Å; T2190-S2193 PolarHBondContact N-O 2.94Å; T2190-S2193 PolarHBondContact O-N 2.79Å; T2190-S2193 VanDerWaalsContact O-N 3.11Å; T2190-S2193 WeakPolarHBondContact OG1-CB 3.43Å; T2190-S2193 PolarHBondContact OG1-O 2.94Å; T2190-S2193 PolarHBondContact OG1-OG 2.89Å
2191P72.8Confident84Confident125 Ų12517.3 Ų17.381%0.81211%0.107SC*.THydrogen-bonded Turntrans-54.5115.6176.6-2635.4000111.8S2193P2191-S2193 PolarHBondContact O-N 3.35Å; P2191-S2193 PolarHBondContact O-OG 3.47Å
2192G75.6Confident84.4Confident43 Ų4315.8 Ų15.844%0.44310%0.103SC..THydrogen-bonded Turntrans70.36.2179.600000116.1N2063 T2190N2063-G2192 PolarHBondContact ND2-O 2.86Å; N2063-G2192 VanDerWaalsContact ND2-O 3.15Å; T2190-G2192 PolarHBondContact O-N 2.88Å
2193S81.7Confident84.1Confident12 Ų1220.9 Ų20.98%0.08414%0.136CC..SBendtrans-149.7175.4-172.446.40000112.5N2063 Y2065 T2190 P2191N2063-S2193 CarbonylContact O-C 3.49Å; N2063-S2193 WeakPolarHBondContact O-CA 3.2Å; N2063-S2193 VanDerWaalsContact O-CB 3.24Å; N2063-S2193 WeakPolarHBondContact O-CB 3.39Å; Y2065-S2193 VanDerWaalsContact CE2-CB 3.43Å; T2190-S2193 WeakPolarHBondContact CB-OG 3.38Å; T2190-S2193 PolarHBondContact N-O 2.94Å; T2190-S2193 PolarHBondContact O-N 2.79Å; T2190-S2193 VanDerWaalsContact O-N 3.11Å; T2190-S2193 WeakPolarHBondContact OG1-CB 3.43Å; T2190-S2193 PolarHBondContact OG1-O 2.94Å; T2190-S2193 PolarHBondContact OG1-OG 2.89Å; P2191-S2193 PolarHBondContact O-N 3.35Å; P2191-S2193 PolarHBondContact O-OG 3.47Å
2194V82Confident83.8Confident0 Ų022.5 Ų22.50%015%0.152CC..EExtended strand (participates in β ladder)trans-128128.3171.2-176.90000108.4R2060 N2063 I2064 Y2065 I2089 C2187 S2188 F2189R2060-V2194 HydrophobicContact CB-CG2 3.68Å; N2063-V2194 PolarHBondContact O-N 3.3Å; I2064-V2194 CarbonylContact C-O 3.57Å; I2064-V2194 WeakPolarHBondContact CA-O 3.42Å; Y2065-V2194 PolarHBondContact N-O 3.16Å; I2089-V2194 HydrophobicContact CD1-CB 4.28Å; I2089-V2194 HydrophobicContact CD1-CG1 4.13Å; I2089-V2194 HydrophobicContact CD1-CG2 3.85Å; I2089-V2194 HydrophobicContact CG1-CG2 4.34Å; I2089-V2194 HydrophobicContact CG2-CG2 4.24Å; C2187-V2194 HydrophobicContact CB-CG1 4.47Å; S2188-V2194 CarbonylContact O-C 3.55Å; S2188-V2194 WeakPolarHBondContact O-CA 3.45Å; F2189-V2194 HydrophobicContact CD1-CG2 4.08Å; F2189-V2194 HydrophobicContact CE1-CG2 4.14Å
2195S85.8Confident83.4Confident6 Ų622.5 Ų22.54%0.04215%0.152CC..EExtended strand (participates in β ladder)trans-100.2132.1172.1-179.90000108.9Y2065 E2158 C2187 S2188Y2065-S2195 CarbonylContact O-C 3.43Å; Y2065-S2195 VanDerWaalsContact O-CA 3.31Å; Y2065-S2195 WeakPolarHBondContact O-CA 3.4Å; E2158-S2195 VanDerWaalsContact OE1-CB 3.3Å; E2158-S2195 WeakPolarHBondContact OE1-CB 3.36Å; E2158-S2195 PolarHBondContact OE1-OG 3.43Å; C2187-S2195 CarbonylContact C-O 3.55Å; S2188-S2195 PolarHBondContact N-O 3.41Å; S2188-S2195 PolarHBondContact O-N 2.77Å
2196L84.3Confident83Confident0 Ų024.4 Ų24.40%016%0.16CC..EExtended strand (participates in β ladder)trans-116.9126.6179.3-71.8153.5000109.9I2064 Y2065 V2066 S2067 L2085 I2185 T2186 C2187 M2232 L2234I2064-L2196 HydrophobicContact CG2-CD1 3.41Å; I2064-L2196 VanDerWaalsContact CG2-CD1 3.41Å; I2064-L2196 HydrophobicContact CG2-CG 4.48Å; Y2065-L2196 PolarHBondContact O-N 3.33Å; V2066-L2196 HydrophobicContact CG2-CD1 4.36Å; S2067-L2196 WeakPolarHBondContact CB-O 3.35Å; S2067-L2196 PolarHBondContact N-O 2.84Å; L2085-L2196 HydrophobicContact CD1-CD1 4.14Å; L2085-L2196 HydrophobicContact CD1-CD2 3.9Å; L2085-L2196 HydrophobicContact CD2-CD1 3.63Å; I2185-L2196 HydrophobicContact CG2-CD2 3.87Å; T2186-L2196 WeakPolarHBondContact O-CA 3.35Å; C2187-L2196 HydrophobicContact CB-CD2 4.19Å; C2187-L2196 WeakPolarHBondContact SG-CD2 3.31Å; L2196-M2232 HydrophobicContact CB-CE 3.34Å; L2196-M2232 HydrophobicContact CB-SD 4.4Å; L2196-M2232 HydrophobicContact CD1-CE 3.89Å; L2196-M2232 HydrophobicContact CD2-CE 4.4Å; L2196-M2232 HydrophobicContact CG-CE 4.07Å; L2196-L2234 HydrophobicContact CD1-CD1 3.58Å
2197C86.6Confident82.5Confident10 Ų1030.4 Ų30.47%0.06819%0.188CC..EExtended strand (participates in β ladder)trans-126.1135.7169.6-54.90000109.2S2067 I2185 T2186S2067-C2197 WeakPolarHBondContact CB-SG 3.43Å; I2185-C2197 WeakPolarHBondContact CA-O 3.48Å; T2186-C2197 PolarHBondContact N-O 2.96Å; T2186-C2197 PolarHBondContact O-N 2.97Å; T2186-C2197 VanDerWaalsContact O-N 3.13Å; T2186-C2197 WeakPolarHBondContact OG1-CB 3.17Å; T2186-C2197 PolarHBondContact OG1-O 3.1Å; T2186-C2197 VanDerWaalsContact OG1-O 3.11Å
2198A85.9Confident82.4Confident4 Ų431.5 Ų31.53%0.03319%0.192CC..EExtended strand (participates in β ladder)trans-103.1134.5169.900000109.3I2183 V2184 I2185 R2229 V2230 M2232I2183-A2198 HydrophobicContact CD1-CB 4.14Å; V2184-A2198 CarbonylContact O-C 3.59Å; V2184-A2198 WeakPolarHBondContact O-CA 3.01Å; I2185-A2198 HydrophobicContact CG1-CB 4.34Å; A2198-R2229 CarbonylContact O-C 3.59Å; A2198-R2229 VanDerWaalsContact O-CA 3.3Å; A2198-R2229 WeakPolarHBondContact O-CA 3.16Å; A2198-V2230 HydrophobicContact CB-CB 4.38Å; A2198-V2230 PolarHBondContact O-N 3.38Å; A2198-M2232 HydrophobicContact CB-CB 4.05Å
2199H86.4Confident82Confident2 Ų231.5 Ų31.51%0.00919%0.191CC..EExtended strand (participates in β ladder)trans-124.9141.6177.2-57.188.5000110.2L2162 I2183 V2184 Y2227 E2228L2162-H2199 HydrophobicContact CD1-CB 4.02Å; L2162-H2199 HydrophobicContact CD2-CB 4.08Å; L2162-H2199 HydrophobicContact CG-CB 4.48Å; I2183-H2199 CarbonylContact C-O 3.57Å; I2183-H2199 WeakPolarHBondContact CA-O 3.38Å; V2184-H2199 PolarHBondContact N-O 3.03Å; V2184-H2199 PolarHBondContact O-N 2.91Å; H2199-Y2227 AromaticContact CD2-CD2 3.81Å; H2199-E2228 CarbonylContact C-O 3.54Å; H2199-E2228 WeakPolarHBondContact CA-O 3.29Å
2200K85.7Confident81.6Confident55 Ų5540.5 Ų40.524%0.23923%0.225CC..EExtended strand (participates in β ladder)trans-104.9153.1162.463.9179.6-179.9173.50109.2Y2227 E2228 V2230K2200-Y2227 CarbonylContact O-C 3.53Å; K2200-Y2227 WeakPolarHBondContact O-CA 3.29Å; K2200-E2228 HydrophobicContact CD-CB 4.47Å; K2200-E2228 VanDerWaalsContact CE-OE1 3.23Å; K2200-E2228 WeakPolarHBondContact CE-OE1 3.49Å; K2200-E2228 WeakPolarHBondContact CE-OE2 3.35Å; K2200-E2228 HydrophobicContact CG-CB 3.87Å; K2200-E2228 PolarHBondContact N-O 3.02Å; K2200-E2228 IonicContact NZ-OE1 3.9Å; K2200-E2228 PolarHBondContact NZ-OE1 2.9Å; K2200-E2228 IonicContact NZ-OE2 3Å; K2200-E2228 PolarHBondContact NZ-OE2 3.49Å; K2200-E2228 PolarHBondContact O-N 3.23Å; K2200-V2230 HydrophobicContact CB-CG2 3.66Å; K2200-V2230 HydrophobicContact CD-CG2 3.92Å; K2200-V2230 HydrophobicContact CG-CG2 3.56Å
2201L85.5Confident81.6Confident9 Ų946.8 Ų46.85%0.04725%0.253CS..EExtended strand (participates in β ladder)trans-80.1142.3169.1-73.9-169.9000110.8L2162 I2167 H2170 A2171 Y2206 H2226L2162-L2201 HydrophobicContact CD2-CD2 3.99Å; I2167-L2201 HydrophobicContact CB-CD2 3.92Å; I2167-L2201 HydrophobicContact CG1-CD2 3.69Å; I2167-L2201 HydrophobicContact CG2-CD1 4.26Å; I2167-L2201 HydrophobicContact CG2-CD2 3.66Å; H2170-L2201 HydrophobicContact CB-CD1 3.92Å; H2170-L2201 HydrophobicContact CB-CG 4.33Å; H2170-L2201 WeakPolarHBondContact CD2-CD1 3.4Å; A2171-L2201 HydrophobicContact CB-CD1 4.05Å; L2201-Y2206 HydrophobicContact CB-CD2 3.55Å; L2201-Y2206 HydrophobicContact CB-CE2 3.55Å; L2201-Y2206 HydrophobicContact CB-CG 4.39Å; L2201-Y2206 HydrophobicContact CD1-CD1 4.29Å; L2201-Y2206 HydrophobicContact CD1-CD2 4.06Å; L2201-Y2206 HydrophobicContact CD1-CE1 4.35Å; L2201-Y2206 HydrophobicContact CD1-CE2 4.14Å; L2201-Y2206 HydrophobicContact CD1-CG 4.14Å; L2201-Y2206 HydrophobicContact CG-CD2 4.47Å; L2201-Y2206 HydrophobicContact CG-CE2 4.39Å; L2201-H2226 WeakPolarHBondContact CD2-O 3.18Å
2202T82.4Confident81.7Confident29 Ų2941.4 Ų41.418%0.17822%0.217CC..  trans-79.9160.2164.9620000109.3G2204 G2205 Y2206 S2225 H2226 E2228T2202-G2204 PolarHBondContact O-N 3.35Å; T2202-G2205 CarbonylContact O-C 3.55Å; T2202-G2205 WeakPolarHBondContact O-CA 3.23Å; T2202-G2205 PolarHBondContact O-N 3.25Å; T2202-G2205 PolarHBondContact OG1-N 3.43Å; T2202-Y2206 PolarHBondContact O-N 3.12Å; T2202-S2225 WeakPolarHBondContact CG2-O 3.45Å; T2202-S2225 PolarHBondContact OG1-O 2.99Å; T2202-H2226 PolarHBondContact N-O 2.86Å; T2202-H2226 VanDerWaalsContact OG1-C 3.29Å; T2202-H2226 WeakPolarHBondContact OG1-CA 3.5Å; T2202-H2226 PolarHBondContact OG1-O 2.99Å; T2202-E2228 HydrophobicContact CG2-CB 4.39Å
2203P79Confident81.4Confident108 Ų10845.5 Ų45.570%0.70123%0.234SC*.Hα-helixtrans-52.1-37.9173.4-28.635.5000113.3Y2206 E2207P2203-Y2206 WeakPolarHBondContact O-CB 3.05Å; P2203-Y2206 PolarHBondContact O-N 3.32Å; P2203-E2207 PolarHBondContact O-N 3.14Å
2204G81.2Confident80.4Confident33 Ų3348.7 Ų48.734%0.3425%0.25SS..Hα-helixtrans-66.7-33.7173.900000113.6T2202 W2208T2202-G2204 PolarHBondContact O-N 3.35Å; G2204-W2208 VanDerWaalsContact O-CB 3.25Å; G2204-W2208 WeakPolarHBondContact O-CB 3.3Å; G2204-W2208 PolarHBondContact O-N 2.91Å
2205G81.2Confident79.3Confident0 Ų056.5 Ų56.50%028%0.284CS..Hα-helixtrans-68-35.7170.600000113.7I2167 T2202 G2209 H2226I2167-G2205 VanDerWaalsContact CG2-O 3.25Å; I2167-G2205 WeakPolarHBondContact CG2-O 3.3Å; T2202-G2205 CarbonylContact O-C 3.55Å; T2202-G2205 WeakPolarHBondContact O-CA 3.23Å; T2202-G2205 PolarHBondContact O-N 3.25Å; T2202-G2205 PolarHBondContact OG1-N 3.43Å; G2205-G2209 WeakPolarHBondContact O-CA 3.37Å; G2205-G2209 PolarHBondContact O-N 3.28Å; G2205-H2226 WeakPolarHBondContact CA-O 3.44Å
2206Y81.3Confident78.1Confident41 Ų4157.6 Ų57.616%0.16130%0.297CS..Hα-helixtrans-64.9-46.5172.4-94.7-77.4000111.8H2170 A2171 G2179 T2182 L2201 T2202 P2203 R2210H2170-Y2206 AromaticContact CD2-CZ 3.83Å; H2170-Y2206 PolarHBondContact CD2-OH 2.9Å; H2170-Y2206 AromaticContact NE2-CZ 3.95Å; H2170-Y2206 PolarHBondContact NE2-OH 3.01Å; A2171-Y2206 HydrophobicContact CB-CD1 4.1Å; G2179-Y2206 WeakPolarHBondContact CA-OH 3.46Å; T2182-Y2206 PolarHBondContact OG1-OH 2.95Å; L2201-Y2206 HydrophobicContact CB-CD2 3.55Å; L2201-Y2206 HydrophobicContact CB-CE2 3.55Å; L2201-Y2206 HydrophobicContact CB-CG 4.39Å; L2201-Y2206 HydrophobicContact CD1-CD1 4.29Å; L2201-Y2206 HydrophobicContact CD1-CD2 4.06Å; L2201-Y2206 HydrophobicContact CD1-CE1 4.35Å; L2201-Y2206 HydrophobicContact CD1-CE2 4.14Å; L2201-Y2206 HydrophobicContact CD1-CG 4.14Å; L2201-Y2206 HydrophobicContact CG-CD2 4.47Å; L2201-Y2206 HydrophobicContact CG-CE2 4.39Å; T2202-Y2206 PolarHBondContact O-N 3.12Å; P2203-Y2206 WeakPolarHBondContact O-CB 3.05Å; P2203-Y2206 PolarHBondContact O-N 3.32Å; Y2206-R2210 VanDerWaalsContact O-CB 3.3Å; Y2206-R2210 WeakPolarHBondContact O-CB 3.28Å; Y2206-R2210 PolarHBondContact O-N 2.92Å
2207E78.7Confident76.9Confident129 Ų12962.7 Ų62.760%0.60332%0.323SS*.Hα-helixtrans-62.5-48.8176.5-75.5-175.1171.300112.1P2203 R2210 Q2211P2203-E2207 PolarHBondContact O-N 3.14Å; E2207-R2210 PolarHBondContact O-N 2.9Å; E2207-Q2211 WeakPolarHBondContact O-CG 3.41Å; E2207-Q2211 PolarHBondContact O-N 3.49Å
2208W84.4Confident76Confident23 Ų2368.9 Ų68.99%0.08736%0.355CS..Hα-helixtrans-63.9-44.5178.6178.380.1000111.7P2164 I2167 G2204 R2210 Q2211 N2212 P2219 K2220 G2221 Y2222 H2226P2164-W2208 HydrophobicContact CB-CH2 3.72Å; P2164-W2208 HydrophobicContact CB-CZ3 4.43Å; P2164-W2208 WeakPolarHBondContact O-CH2 3.07Å; P2164-W2208 WeakPolarHBondContact O-CZ3 3.37Å; I2167-W2208 HydrophobicContact CB-CE3 4.2Å; I2167-W2208 HydrophobicContact CB-CZ3 3.82Å; I2167-W2208 HydrophobicContact CD1-CZ3 4.16Å; I2167-W2208 HydrophobicContact CG2-CE3 3.5Å; I2167-W2208 HydrophobicContact CG2-CZ3 3.66Å; G2204-W2208 VanDerWaalsContact O-CB 3.25Å; G2204-W2208 WeakPolarHBondContact O-CB 3.3Å; G2204-W2208 PolarHBondContact O-N 2.91Å; W2208-R2210 VanDerWaalsContact C-N 3.28Å; W2208-R2210 PolarHBondContact O-N 3.48Å; W2208-Q2211 PolarHBondContact O-N 3.38Å; W2208-N2212 HydrophobicContact CD2-CB 4.5Å; W2208-N2212 HydrophobicContact CH2-CB 4.33Å; W2208-N2212 HydrophobicContact CZ2-CB 4.14Å; W2208-N2212 VanDerWaalsContact O-CB 3.23Å; W2208-N2212 WeakPolarHBondContact O-CB 3.32Å; W2208-N2212 PolarHBondContact O-N 3.4Å; W2208-P2219 HydrophobicContact CH2-CB 4.31Å; W2208-P2219 HydrophobicContact CH2-CG 3.59Å; W2208-P2219 HydrophobicContact CZ2-CB 3.86Å; W2208-P2219 HydrophobicContact CZ2-CG 3.52Å; W2208-K2220 PolarHBondContact NE1-O 3.06Å; W2208-G2221 PolarHBondContact NE1-O 2.87Å; W2208-Y2222 AromaticContact CH2-CD2 3.95Å; W2208-Y2222 HydrophobicContact CH2-CD2 3.95Å; W2208-Y2222 HydrophobicContact CZ2-CD2 4.37Å; W2208-Y2222 HydrophobicContact CZ3-CD2 4.22Å; W2208-H2226 VanDerWaalsContact CB-CE1 3.44Å; W2208-H2226 WeakPolarHBondContact CB-CE1 3.27Å; W2208-H2226 AromaticContact CD1-CE1 3.57Å; W2208-H2226 AromaticContact CD2-CE1 3.47Å; W2208-H2226 VanDerWaalsContact CD2-CE1 3.47Å; W2208-H2226 AromaticContact CD2-ND1 3.42Å; W2208-H2226 AromaticContact CE3-ND1 3.51Å; W2208-H2226 AromaticContact CG-CE1 3.14Å; W2208-H2226 AromaticContact CG-ND1 3.56Å
2209G78.2Confident75.1Confident0 Ų069 Ų690%036%0.355CS..Hα-helixtrans-64-31.3178.100000113.4G2205G2205-G2209 WeakPolarHBondContact O-CA 3.37Å; G2205-G2209 PolarHBondContact O-N 3.28Å
2210R76.9Confident74.1Confident204 Ų20478.1 Ų78.177%0.7740%0.395SS*.Hα-helixtrans-72.3-39.5173.3-172.2179.5-179.7-176.82.6112.3Y2206 E2207 W2208Y2206-R2210 VanDerWaalsContact O-CB 3.3Å; Y2206-R2210 WeakPolarHBondContact O-CB 3.28Å; Y2206-R2210 PolarHBondContact O-N 2.92Å; E2207-R2210 PolarHBondContact O-N 2.9Å; W2208-R2210 VanDerWaalsContact C-N 3.28Å; W2208-R2210 PolarHBondContact O-N 3.48Å
2211Q78.4Confident73.4Confident150 Ų15077.5 Ų77.570%0.70141%0.405SS*.Hα-helixtrans-79.1-23179.2-68.7177.913.700113.2E2207 W2208 T2213E2207-Q2211 WeakPolarHBondContact O-CG 3.41Å; E2207-Q2211 PolarHBondContact O-N 3.49Å; W2208-Q2211 PolarHBondContact O-N 3.38Å; Q2211-T2213 PolarHBondContact O-N 2.64Å; Q2211-T2213 VanDerWaalsContact O-N 3.15Å
2212N75.3Confident73.1Confident11 Ų1179 Ų796%0.05941%0.41CS..  trans-72.3110.8-174-172.434.3000112.4T2168 K2172 W2208 D2214T2168-N2212 HydrophobicContact CG2-CB 4.36Å; T2168-N2212 PolarHBondContact OG1-ND2 3.33Å; K2172-N2212 PolarHBondContact NZ-O 3.04Å; W2208-N2212 HydrophobicContact CD2-CB 4.5Å; W2208-N2212 HydrophobicContact CH2-CB 4.33Å; W2208-N2212 HydrophobicContact CZ2-CB 4.14Å; W2208-N2212 VanDerWaalsContact O-CB 3.23Å; W2208-N2212 WeakPolarHBondContact O-CB 3.32Å; W2208-N2212 PolarHBondContact O-N 3.4Å; N2212-D2214 PolarHBondContact ND2-O 3.07Å; N2212-D2214 PolarHBondContact OD1-N 2.89Å; N2212-D2214 PolarHBondContact OD1-O 2.95Å
2213T68.5Low72.8Confident130 Ų13082.7 Ų82.780%0.79843%0.426SS*.  trans-96.4-12.3171.155.60000112.8Q2211Q2211-T2213 PolarHBondContact O-N 2.64Å; Q2211-T2213 VanDerWaalsContact O-N 3.15Å
2214D61.2Low72.6Confident79 Ų7981.6 Ų81.642%0.42242%0.42SS..  trans-87.2127.1-175.5-167.4-4.4000111.1N2212 G2216 P2219N2212-D2214 PolarHBondContact ND2-O 3.07Å; N2212-D2214 PolarHBondContact OD1-N 2.89Å; N2212-D2214 PolarHBondContact OD1-O 2.95Å; D2214-G2216 PolarHBondContact OD1-N 3.26Å; D2214-G2216 VanDerWaalsContact OD1-N 3.1Å; D2214-P2219 HydrophobicContact CB-CB 3.96Å
2215K59.4Low72.5Confident163 Ų16383.5 Ų83.571%0.70943%0.428SS*.  trans-96.64.1-176.7-64.8-176.2179.4178.70112.9Q2165Q2165-K2215 PolarHBondContact NE2-O 3.36Å
2216G59.5Low72.6Confident30 Ų3084.3 Ų84.331%0.30943%0.432SS..SBendtrans-69.2172.118000000115.1D2214 N2218 P2219D2214-G2216 PolarHBondContact OD1-N 3.26Å; D2214-G2216 VanDerWaalsContact OD1-N 3.1Å; G2216-N2218 VanDerWaalsContact C-N 3.33Å; G2216-P2219 WeakPolarHBondContact O-CD 3.27Å
2217I59.3Low72.7Confident107 Ų10784 Ų8455%0.54943%0.43SS..SBendtrans-73.4-25.5179.1-61.6166.1000111.7P2164P2164-I2217 WeakPolarHBondContact CG-O 3.3Å
2218N68.7Low72.7Confident140 Ų14080 Ų8075%0.74941%0.411SS*.SBendtrans-129.569.5176.9-74.6-21.3000110.6G2216G2216-N2218 VanDerWaalsContact C-N 3.33Å
2219P66.1Low72.4Confident5 Ų582.9 Ų82.93%0.03242%0.422CS..  trans-67.3144.1-179.323.6-26.5000111.3P2164 W2208 D2214 G2216 G2221 Y2222P2164-P2219 HydrophobicContact CB-CG 3.31Å; P2164-P2219 HydrophobicContact CG-CG 4.1Å; W2208-P2219 HydrophobicContact CH2-CB 4.31Å; W2208-P2219 HydrophobicContact CH2-CG 3.59Å; W2208-P2219 HydrophobicContact CZ2-CB 3.86Å; W2208-P2219 HydrophobicContact CZ2-CG 3.52Å; D2214-P2219 HydrophobicContact CB-CB 3.96Å; G2216-P2219 WeakPolarHBondContact O-CD 3.27Å; P2219-G2221 PolarHBondContact O-N 3.39Å; P2219-G2221 VanDerWaalsContact O-N 3.17Å; P2219-Y2222 WeakPolarHBondContact O-CB 3.44Å; P2219-Y2222 PolarHBondContact O-N 2.9Å; P2219-Y2222 VanDerWaalsContact O-N 3.11Å
2220K64.4Low72.4Confident194 Ų19484 Ų8484%0.84343%0.429SS*.THydrogen-bonded Turntrans-57.4121.1-175.9-159.5177.3-177.8-177.20110.3W2208W2208-K2220 PolarHBondContact NE1-O 3.06Å
2221G72.1Confident72.6Confident43 Ų4377.6 Ų77.644%0.44341%0.408SS..THydrogen-bonded Turntrans92.71.1179.100000116.1W2208 P2219 M2223 H2226W2208-G2221 PolarHBondContact NE1-O 2.87Å; P2219-G2221 PolarHBondContact O-N 3.39Å; P2219-G2221 VanDerWaalsContact O-N 3.17Å; G2221-M2223 PolarHBondContact O-N 2.96Å; G2221-H2226 PolarHBondContact O-CE1 3.32Å
2222Y78.3Confident72.8Confident40 Ų4071 Ų7116%0.15738%0.377CS..  trans-61.3129.4174173-104.9000111.8L2162 P2164 I2167 W2208 P2219L2162-Y2222 PolarHBondContact O-OH 3.18Å; P2164-Y2222 HydrophobicContact CB-CD2 3.5Å; P2164-Y2222 VanDerWaalsContact CB-CD2 3.5Å; P2164-Y2222 HydrophobicContact CB-CE2 3.77Å; P2164-Y2222 HydrophobicContact CB-CG 4.01Å; P2164-Y2222 HydrophobicContact CG-CD1 4.07Å; P2164-Y2222 HydrophobicContact CG-CD2 3.57Å; P2164-Y2222 HydrophobicContact CG-CE1 4.04Å; P2164-Y2222 HydrophobicContact CG-CE2 3.53Å; P2164-Y2222 HydrophobicContact CG-CG 3.83Å; I2167-Y2222 HydrophobicContact CD1-CD2 4.01Å; I2167-Y2222 HydrophobicContact CD1-CE2 3.6Å; W2208-Y2222 AromaticContact CH2-CD2 3.95Å; W2208-Y2222 HydrophobicContact CH2-CD2 3.95Å; W2208-Y2222 HydrophobicContact CZ2-CD2 4.37Å; W2208-Y2222 HydrophobicContact CZ3-CD2 4.22Å; P2219-Y2222 WeakPolarHBondContact O-CB 3.44Å; P2219-Y2222 PolarHBondContact O-N 2.9Å; P2219-Y2222 VanDerWaalsContact O-N 3.11Å
2223M77.6Confident73.2Confident106 Ų10674.5 Ų74.552%0.52240%0.395SS..  trans-134.1147.6175.9-62.9-163.7-174.400111.3G2221 S2225 H2226G2221-M2223 PolarHBondContact O-N 2.96Å; M2223-S2225 VanDerWaalsContact CB-OG 3.29Å; M2223-S2225 WeakPolarHBondContact CB-OG 3.39Å; M2223-S2225 PolarHBondContact O-N 3.21Å; M2223-H2226 PolarHBondContact N-CE1 3.06Å; M2223-H2226 PolarHBondContact N-ND1 3Å; M2223-H2226 WeakPolarHBondContact O-CB 3.32Å; M2223-H2226 PolarHBondContact O-N 3.49Å; M2223-H2226 VanDerWaalsContact O-N 3.16Å
2224P74.5Confident73.8Confident86 Ų8670.9 Ų70.956%0.55837%0.371SS*.G310 helixtrans-58.2-13.7171-25.234.7000114.9H2226 Y2227P2224-H2226 VanDerWaalsContact C-N 3.31Å; P2224-Y2227 WeakPolarHBondContact O-CE1 3.35Å
2225S78.5Confident74.8Confident73 Ų7367.7 Ų67.751%0.5136%0.355SS..G310 helixtrans-78.8-7177.253.90000114.6T2202 M2223 Y2227T2202-S2225 WeakPolarHBondContact CG2-O 3.45Å; T2202-S2225 PolarHBondContact OG1-O 2.99Å; M2223-S2225 VanDerWaalsContact CB-OG 3.29Å; M2223-S2225 WeakPolarHBondContact CB-OG 3.39Å; M2223-S2225 PolarHBondContact O-N 3.21Å; S2225-Y2227 VanDerWaalsContact C-N 3.25Å; S2225-Y2227 PolarHBondContact O-N 2.87Å
2226H83.4Confident75.8Confident17 Ų1765.5 Ų65.58%0.07935%0.351CS..G310 helixtrans-77.5-5.7-176.6-68174.9000114.2I2167 L2201 T2202 G2205 W2208 G2221 M2223 P2224I2167-H2226 HydrophobicContact CD1-CB 3.75Å; L2201-H2226 WeakPolarHBondContact CD2-O 3.18Å; T2202-H2226 PolarHBondContact N-O 2.86Å; T2202-H2226 VanDerWaalsContact OG1-C 3.29Å; T2202-H2226 WeakPolarHBondContact OG1-CA 3.5Å; T2202-H2226 PolarHBondContact OG1-O 2.99Å; G2205-H2226 WeakPolarHBondContact CA-O 3.44Å; W2208-H2226 VanDerWaalsContact CB-CE1 3.44Å; W2208-H2226 WeakPolarHBondContact CB-CE1 3.27Å; W2208-H2226 AromaticContact CD1-CE1 3.57Å; W2208-H2226 AromaticContact CD2-CE1 3.47Å; W2208-H2226 VanDerWaalsContact CD2-CE1 3.47Å; W2208-H2226 AromaticContact CD2-ND1 3.42Å; W2208-H2226 AromaticContact CE3-ND1 3.51Å; W2208-H2226 AromaticContact CG-CE1 3.14Å; W2208-H2226 AromaticContact CG-ND1 3.56Å; G2221-H2226 PolarHBondContact O-CE1 3.32Å; M2223-H2226 PolarHBondContact N-CE1 3.06Å; M2223-H2226 PolarHBondContact N-ND1 3Å; M2223-H2226 WeakPolarHBondContact O-CB 3.32Å; M2223-H2226 PolarHBondContact O-N 3.49Å; M2223-H2226 VanDerWaalsContact O-N 3.16Å; P2224-H2226 VanDerWaalsContact C-N 3.31Å
2227Y84.1Confident76.7Confident35 Ų3575.4 Ų75.414%0.13738%0.379CS..EExtended strand (participates in β ladder)trans-147.2161.6-176.361.4-91.9000111.5Q2161 L2162 I2167 H2199 K2200 P2224 S2225Q2161-Y2227 WeakPolarHBondContact CA-OH 3.39Å; Q2161-Y2227 HydrophobicContact CB-CE1 4.31Å; Q2161-Y2227 WeakPolarHBondContact CB-OH 3.39Å; L2162-Y2227 HydrophobicContact CB-CD1 3.62Å; L2162-Y2227 HydrophobicContact CB-CD2 3.77Å; L2162-Y2227 HydrophobicContact CB-CE1 4.08Å; L2162-Y2227 HydrophobicContact CB-CE2 4.24Å; L2162-Y2227 HydrophobicContact CB-CG 3.46Å; L2162-Y2227 VanDerWaalsContact CB-CG 3.46Å; L2162-Y2227 HydrophobicContact CD2-CG 4.17Å; L2162-Y2227 HydrophobicContact CG-CG 4.45Å; I2167-Y2227 HydrophobicContact CD1-CD1 4.01Å; H2199-Y2227 AromaticContact CD2-CD2 3.81Å; K2200-Y2227 CarbonylContact O-C 3.53Å; K2200-Y2227 WeakPolarHBondContact O-CA 3.29Å; P2224-Y2227 WeakPolarHBondContact O-CE1 3.35Å; S2225-Y2227 VanDerWaalsContact C-N 3.25Å; S2225-Y2227 PolarHBondContact O-N 2.87Å
2228E78.4Confident77.7Confident43 Ų4371.4 Ų71.420%0.20136%0.358CS..EExtended strand (participates in β ladder)trans-141.9138.9179.6-173.2-178.7155.400109.7K2072 H2199 K2200 T2202K2072-E2228 WeakPolarHBondContact CD-OE1 3.28Å; K2072-E2228 WeakPolarHBondContact CE-OE1 3.25Å; K2072-E2228 IonicContact NZ-OE1 3.18Å; K2072-E2228 PolarHBondContact NZ-OE1 2.99Å; K2072-E2228 IonicContact NZ-OE2 2.67Å; H2199-E2228 CarbonylContact C-O 3.54Å; H2199-E2228 WeakPolarHBondContact CA-O 3.29Å; K2200-E2228 HydrophobicContact CD-CB 4.47Å; K2200-E2228 VanDerWaalsContact CE-OE1 3.23Å; K2200-E2228 WeakPolarHBondContact CE-OE1 3.49Å; K2200-E2228 WeakPolarHBondContact CE-OE2 3.35Å; K2200-E2228 HydrophobicContact CG-CB 3.87Å; K2200-E2228 PolarHBondContact N-O 3.02Å; K2200-E2228 IonicContact NZ-OE1 3.9Å; K2200-E2228 PolarHBondContact NZ-OE1 2.9Å; K2200-E2228 IonicContact NZ-OE2 3Å; K2200-E2228 PolarHBondContact NZ-OE2 3.49Å; K2200-E2228 PolarHBondContact O-N 3.23Å; T2202-E2228 HydrophobicContact CG2-CB 4.39Å
2229R78.6Confident78.3Confident84 Ų8471.1 Ų71.132%0.31736%0.355SS..EExtended strand (participates in β ladder)trans-74.8147.2176.9-69.3-179.4178.9-172.9-0.6111.1D2069 P2160 A2198D2069-R2229 IonicContact OD2-CZ 2.7Å; D2069-R2229 IonicContact OD2-NH1 2.7Å; D2069-R2229 PolarHBondContact OD2-NH1 2.95Å; P2160-R2229 PolarHBondContact O-NH2 3.16Å; A2198-R2229 CarbonylContact O-C 3.59Å; A2198-R2229 VanDerWaalsContact O-CA 3.3Å; A2198-R2229 WeakPolarHBondContact O-CA 3.16Å
2230V77.9Confident79.1Confident25 Ų2571.2 Ų71.215%0.15236%0.358CS..EExtended strand (participates in β ladder)trans-130.2152.1-175.3-1650000111Y2076 Y2078 I2183 A2198 K2200 M2232Y2076-V2230 VanDerWaalsContact O-CG1 3.3Å; Y2076-V2230 WeakPolarHBondContact O-CG1 3.44Å; Y2078-V2230 HydrophobicContact CD2-CG1 3.94Å; Y2078-V2230 HydrophobicContact CE2-CG1 3.69Å; I2183-V2230 HydrophobicContact CG2-CB 4.41Å; I2183-V2230 HydrophobicContact CG2-CG2 4.15Å; A2198-V2230 HydrophobicContact CB-CB 4.38Å; A2198-V2230 PolarHBondContact O-N 3.38Å; K2200-V2230 HydrophobicContact CB-CG2 3.66Å; K2200-V2230 HydrophobicContact CD-CG2 3.92Å; K2200-V2230 HydrophobicContact CG-CG2 3.56Å; V2230-M2232 PolarHBondContact O-N 3.18Å
2231Q80.7Confident80.2Confident69 Ų6965.3 Ų65.332%0.32233%0.332SS..  trans-71126.5-178.2-164.9-175.215.700111.5T2077 Y2078T2077-Q2231 HydrophobicContact CG2-CB 4.4Å; T2077-Q2231 HydrophobicContact CG2-CG 3.99Å; T2077-Q2231 PolarHBondContact OG1-OE1 3.25Å; Y2078-Q2231 PolarHBondContact N-O 2.91Å
2232M82.7Confident81Confident11 Ų1164 Ų645%0.05431%0.314CS..EExtended strand (participates in β ladder)trans-128.1135.4175.2-171.1-161.962.400109.8V2066 Y2078 L2080 I2185 L2196 A2198 V2230V2066-M2232 HydrophobicContact CB-CE 4.41Å; V2066-M2232 HydrophobicContact CG1-CE 3.7Å; V2066-M2232 WeakPolarHBondContact CG1-O 3.25Å; V2066-M2232 HydrophobicContact CG2-CE 4.01Å; Y2078-M2232 CarbonylContact O-C 3.55Å; Y2078-M2232 VanDerWaalsContact O-CA 3.28Å; Y2078-M2232 WeakPolarHBondContact O-CA 3.19Å; L2080-M2232 HydrophobicContact CD2-SD 4.34Å; I2185-M2232 HydrophobicContact CD1-SD 4.04Å; I2185-M2232 HydrophobicContact CG1-SD 4.46Å; I2185-M2232 HydrophobicContact CG2-SD 4.03Å; L2196-M2232 HydrophobicContact CB-CE 3.34Å; L2196-M2232 HydrophobicContact CB-SD 4.4Å; L2196-M2232 HydrophobicContact CD1-CE 3.89Å; L2196-M2232 HydrophobicContact CD2-CE 4.4Å; L2196-M2232 HydrophobicContact CG-CE 4.07Å; A2198-M2232 HydrophobicContact CB-CB 4.05Å; V2230-M2232 PolarHBondContact O-N 3.18Å
2233L83.3Confident81.4Confident84 Ų8462.1 Ų62.144%0.4431%0.307SS..EExtended strand (participates in β ladder)trans-118.6146.5175.8-68.6173.3000110.1T2077 Y2078 I2079 L2080T2077-L2233 HydrophobicContact CG2-CD1 3.61Å; T2077-L2233 HydrophobicContact CG2-CG 3.92Å; Y2078-L2233 PolarHBondContact O-N 2.98Å; I2079-L2233 CarbonylContact C-O 3.56Å; I2079-L2233 WeakPolarHBondContact CA-O 3.34Å; I2079-L2233 HydrophobicContact CG1-CB 4.38Å; L2080-L2233 PolarHBondContact N-O 2.87Å
2234L81.2Confident81.8Confident54 Ų5457.6 Ų57.628%0.28329%0.285SS..EExtended strand (participates in β ladder)trans-100.4125.6173.8-114.4134.8000109.5I2064 V2066 L2080 K2082 L2085 L2196I2064-L2234 HydrophobicContact CG2-CD1 3.56Å; V2066-L2234 HydrophobicContact CG2-CD1 3.44Å; V2066-L2234 VanDerWaalsContact CG2-CD1 3.44Å; L2080-L2234 WeakPolarHBondContact O-CA 3.37Å; K2082-L2234 HydrophobicContact CB-CD2 3.79Å; K2082-L2234 HydrophobicContact CG-CD2 3.78Å; L2085-L2234 HydrophobicContact CD2-CD1 3.78Å; L2085-L2234 HydrophobicContact CD2-CD2 3.68Å; L2085-L2234 HydrophobicContact CD2-CG 4.14Å; L2196-L2234 HydrophobicContact CD1-CD1 3.58Å
2235S82Confident82.1Confident13 Ų1354 Ų549%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-119.4134.3-177.2-1780000112L2080 P2081 K2082 R2237L2080-S2235 PolarHBondContact O-N 3.45Å; P2081-S2235 WeakPolarHBondContact CA-O 3.4Å; K2082-S2235 PolarHBondContact N-O 3.44Å; S2235-R2237 VanDerWaalsContact OG-CB 3.31Å; S2235-R2237 WeakPolarHBondContact OG-CB 3.39Å; S2235-R2237 PolarHBondContact OG-N 3.44Å
2236D80.8Confident81.8Confident116 Ų11653.1 Ų53.162%0.6225%0.254SS*.SBendtrans-95.41.4167.2-77.3-31.8000111.8K2082K2082-D2236 WeakPolarHBondContact CB-OD1 3.45Å; K2082-D2236 WeakPolarHBondContact CD-OD1 3.42Å; K2082-D2236 WeakPolarHBondContact CD-OD2 3.45Å; K2082-D2236 IonicContact NZ-OD1 2.78Å; K2082-D2236 IonicContact NZ-OD2 2.72Å; K2082-D2236 PolarHBondContact NZ-OD2 3.36Å
2237R77.2Confident80.9Confident239 Ų23960.9 Ų60.990%0.90229%0.291SS*.SBendtrans-78.7-25.5-172.1-61.6-175.5175.4-175.9-1.6114.7S2235S2235-R2237 VanDerWaalsContact OG-CB 3.31Å; S2235-R2237 WeakPolarHBondContact OG-CB 3.39Å; S2235-R2237 PolarHBondContact OG-N 3.44Å
2238F81.7Confident79.9Confident23 Ų2362 Ų6210%0.10130%0.301CS..SBendtrans-141.4156.8179.263.7-84.1000110.7I2079 P2081 E2115 I2116I2079-F2238 HydrophobicContact CB-CE1 4.35Å; I2079-F2238 HydrophobicContact CB-CZ 4.27Å; I2079-F2238 HydrophobicContact CG2-CE1 3.57Å; I2079-F2238 HydrophobicContact CG2-CZ 3.78Å; P2081-F2238 HydrophobicContact CB-CE2 4.42Å; P2081-F2238 HydrophobicContact CG-CD2 3.53Å; P2081-F2238 HydrophobicContact CG-CE1 4.47Å; P2081-F2238 HydrophobicContact CG-CE2 3.11Å; P2081-F2238 HydrophobicContact CG-CG 4.39Å; P2081-F2238 HydrophobicContact CG-CZ 3.62Å; E2115-F2238 HydrophobicContact CB-CE1 4.18Å; E2115-F2238 HydrophobicContact CB-CE2 3.93Å; E2115-F2238 HydrophobicContact CB-CZ 3.51Å; E2115-F2238 HydrophobicContact CG-CE1 3.77Å; E2115-F2238 HydrophobicContact CG-CE2 4.42Å; E2115-F2238 HydrophobicContact CG-CZ 3.63Å; I2116-F2238 WeakPolarHBondContact O-CE2 3.47Å
2239L80.9Confident79.7Confident133 Ų13360.4 Ų60.470%0.69630%0.295SS*.  trans-101.2126.5179.5-63.9172.5000108.9N2083N2083-L2239 HydrophobicContact CB-CD2 3.68Å
2240G82.7Confident80Confident8 Ų856.8 Ų56.88%0.08228%0.281CS..  trans-85.4170.2163.900000111.9N2083 I2084 R2117N2083-G2240 PolarHBondContact ND2-N 3Å; N2083-G2240 PolarHBondContact ND2-O 3.33Å; N2083-G2240 PolarHBondContact OD1-N 3.26Å; I2084-G2240 VanDerWaalsContact CG2-CA 3.41Å; I2084-G2240 WeakPolarHBondContact CG2-O 3.46Å; R2117-G2240 CarbonylContact O-C 3.06Å; R2117-G2240 WeakPolarHBondContact O-CA 3.21Å
2241F88.4Confident80.4Confident70 Ų7055.6 Ų55.631%0.30727%0.274SS..EExtended strand (participates in β ladder)trans-127.9175.2175.463-89.8000112.1R2117 C2118 I2119 M2146 M2243R2117-F2241 WeakPolarHBondContact O-CD1 3.38Å; R2117-F2241 PolarHBondContact O-N 2.99Å; C2118-F2241 WeakPolarHBondContact CA-O 3.19Å; C2118-F2241 HydrophobicContact CB-CD1 4.48Å; C2118-F2241 HydrophobicContact CB-CD2 4.17Å; C2118-F2241 HydrophobicContact CB-CE1 4.11Å; C2118-F2241 HydrophobicContact CB-CE2 3.77Å; C2118-F2241 HydrophobicContact CB-CZ 3.77Å; I2119-F2241 PolarHBondContact N-O 2.92Å; M2146-F2241 HydrophobicContact CE-CE1 3.71Å; M2146-F2241 HydrophobicContact CE-CZ 3.35Å; M2146-F2241 HydrophobicContact SD-CE1 4.41Å; M2146-F2241 HydrophobicContact SD-CZ 4.33Å; F2241-M2243 HydrophobicContact CD2-CG 4.35Å; F2241-M2243 HydrophobicContact CE2-CG 4.08Å; F2241-M2243 HydrophobicContact CE2-SD 4.4Å
2242F88.3Confident80.5Confident15 Ų1553 Ų537%0.06626%0.261CS..EExtended strand (participates in β ladder)trans-119.9152.4177.2-78.1-94.3000111.4I2084 K2087 F2088 I2091 I2119 M2121 L2270 P2272I2084-F2242 HydrophobicContact CB-CE2 3.87Å; I2084-F2242 HydrophobicContact CB-CZ 4.15Å; I2084-F2242 HydrophobicContact CG2-CD2 4.4Å; I2084-F2242 HydrophobicContact CG2-CE2 4.01Å; I2084-F2242 VanDerWaalsContact O-CZ 3.31Å; I2084-F2242 WeakPolarHBondContact O-CZ 3.32Å; K2087-F2242 HydrophobicContact CB-CD2 4.48Å; K2087-F2242 HydrophobicContact CB-CE2 3.5Å; K2087-F2242 VanDerWaalsContact CB-CE2 3.5Å; K2087-F2242 HydrophobicContact CB-CZ 3.85Å; K2087-F2242 HydrophobicContact CG-CD2 4.17Å; K2087-F2242 HydrophobicContact CG-CE2 3.55Å; K2087-F2242 HydrophobicContact CG-CZ 3.95Å; F2088-F2242 HydrophobicContact CB-CZ 4.19Å; F2088-F2242 HydrophobicContact CD2-CE1 4.49Å; I2091-F2242 HydrophobicContact CD1-CE1 4.49Å; I2119-F2242 HydrophobicContact CB-CD1 3.76Å; I2119-F2242 HydrophobicContact CB-CE1 3.62Å; I2119-F2242 HydrophobicContact CB-CZ 4.27Å; I2119-F2242 HydrophobicContact CD1-CE1 4.16Å; I2119-F2242 HydrophobicContact CD1-CZ 4.12Å; I2119-F2242 HydrophobicContact CG1-CE1 4.43Å; I2119-F2242 HydrophobicContact CG2-CD1 3.92Å; I2119-F2242 HydrophobicContact CG2-CE1 3.61Å; I2119-F2242 VanDerWaalsContact O-CA 3.24Å; I2119-F2242 WeakPolarHBondContact O-CA 3.33Å; I2119-F2242 WeakPolarHBondContact O-CD1 3.46Å; M2121-F2242 HydrophobicContact CG-CD1 4.05Å; M2121-F2242 HydrophobicContact CG-CE1 4.45Å; M2121-F2242 HydrophobicContact SD-CE1 4.44Å; F2242-L2270 WeakPolarHBondContact CB-O 3.45Å; F2242-L2270 PolarHBondContact O-N 3.36Å; F2242-P2272 HydrophobicContact CB-CG 4.33Å; F2242-P2272 HydrophobicContact CD1-CG 3.58Å; F2242-P2272 HydrophobicContact CD2-CG 4.26Å; F2242-P2272 HydrophobicContact CE1-CG 3.83Å; F2242-P2272 HydrophobicContact CE2-CG 4.49Å; F2242-P2272 VanDerWaalsContact CG-CD 3.45Å; F2242-P2272 HydrophobicContact CG-CG 3.8Å; F2242-P2272 HydrophobicContact CZ-CG 4.28Å
2243M86.7Confident80.4Confident0 Ų054.4 Ų54.40%027%0.269CS..EExtended strand (participates in β ladder)trans-122.4138.2166.2-57.1-170.378.500110.2I2119 V2120 M2121 D2140 L2143 F2241 L2267 Q2268I2119-M2243 PolarHBondContact O-N 2.94Å; I2119-M2243 VanDerWaalsContact O-N 3.08Å; V2120-M2243 HydrophobicContact CG1-CB 4.27Å; V2120-M2243 HydrophobicContact CG2-CB 4.19Å; V2120-M2243 HydrophobicContact CG2-CG 4.47Å; V2120-M2243 HydrophobicContact CG2-SD 4.37Å; M2121-M2243 PolarHBondContact N-O 3.38Å; D2140-M2243 HydrophobicContact CB-CE 3.56Å; D2140-M2243 HydrophobicContact CB-SD 4.36Å; D2140-M2243 WeakPolarHBondContact OD2-CE 3.44Å; L2143-M2243 HydrophobicContact CD1-SD 3.88Å; L2143-M2243 HydrophobicContact CD2-SD 3.67Å; L2143-M2243 HydrophobicContact CG-SD 3.61Å; F2241-M2243 HydrophobicContact CD2-CG 4.35Å; F2241-M2243 HydrophobicContact CE2-CG 4.08Å; F2241-M2243 HydrophobicContact CE2-SD 4.4Å; M2243-L2267 HydrophobicContact CB-CB 4.38Å; M2243-L2267 HydrophobicContact CB-CD1 4.39Å; M2243-L2267 HydrophobicContact CB-CD2 4.33Å; M2243-L2267 HydrophobicContact CE-CB 3.78Å; M2243-L2267 HydrophobicContact CE-CD1 4.35Å; M2243-L2267 HydrophobicContact SD-CD1 4.4Å; M2243-Q2268 WeakPolarHBondContact CA-O 3.48Å
2244V85.2Confident79.9Confident11 Ų1152.6 Ų52.67%0.06726%0.258CS..EExtended strand (participates in β ladder)trans-140.4163-175.5-58.60000111.2M2121 Q2268 L2270 P2272M2121-V2244 HydrophobicContact CB-CG1 4.1Å; M2121-V2244 HydrophobicContact CG-CG1 4.28Å; V2244-Q2268 PolarHBondContact N-O 2.93Å; V2244-Q2268 PolarHBondContact O-N 3.48Å; V2244-L2270 HydrophobicContact CG2-CB 3.38Å; V2244-L2270 HydrophobicContact CG2-CD1 4.45Å; V2244-P2272 HydrophobicContact CG1-CB 3.9Å
2245P82.3Confident79.5Confident10 Ų1051.3 Ų51.37%0.06525%0.251CS..  trans-71.2136.8179.9-17.633.4000112.3M2121 P2123 W2250 E2266M2121-P2245 WeakPolarHBondContact O-CD 3.49Å; P2123-P2245 HydrophobicContact CG-CG 4.22Å; P2245-W2250 HydrophobicContact CG-CB 4.49Å; P2245-E2266 WeakPolarHBondContact CA-O 3.41Å
2246P71.1Confident78.8Confident55 Ų5553 Ų5336%0.35727%0.269SS..SBendtrans-73.1-40-174.324-31.3000114.1E2266 Q2268P2246-E2266 WeakPolarHBondContact CD-O 3.35Å; P2246-E2266 HydrophobicContact CG-CB 3.89Å; P2246-Q2268 HydrophobicContact CB-CB 4.48Å
2247Q64.5Low78.1Confident181 Ų18154.8 Ų54.885%0.84629%0.285SS*.SBendtrans-103.8-10.8-171.6-66.1-172.20.500114.8
2248T63Low77.7Confident59 Ų5951.9 Ų51.936%0.36227%0.274SS..SBendtrans-135160-169.254.80000112.6Y2252T2248-Y2252 WeakPolarHBondContact CB-OH 3.21Å
2249S73.8Confident77.4Confident9 Ų952 Ų526%0.06328%0.275CS..  trans-61.2144.6168.1178.60000110.3N2251 Y2252 H2280S2249-N2251 VanDerWaalsContact C-N 3.27Å; S2249-N2251 PolarHBondContact OG-N 3.23Å; S2249-N2251 PolarHBondContact OG-O 3.46Å; S2249-Y2252 WeakPolarHBondContact O-CE2 3.28Å; S2249-H2280 PolarHBondContact OG-CD2 3.46Å; S2249-H2280 PolarHBondContact OG-NE2 3.14Å
2250W85Confident77.1Confident7 Ų749.9 Ų49.93%0.02726%0.264CS..SBendtrans-76.1-17.4163.966-99.1000111.9I2091 I2098 M2121 Q2124 P2245 K2273 F2275 H2280I2091-W2250 HydrophobicContact CB-CZ2 4.19Å; I2091-W2250 HydrophobicContact CD1-CZ2 4.4Å; I2098-W2250 HydrophobicContact CB-CH2 4.32Å; I2098-W2250 HydrophobicContact CB-CZ3 4.05Å; I2098-W2250 HydrophobicContact CD1-CH2 4.25Å; I2098-W2250 HydrophobicContact CG2-CH2 3.77Å; I2098-W2250 HydrophobicContact CG2-CZ3 3.69Å; M2121-W2250 HydrophobicContact CB-CB 4.27Å; M2121-W2250 HydrophobicContact CB-CG 4.48Å; M2121-W2250 HydrophobicContact CE-CD2 3.73Å; M2121-W2250 HydrophobicContact CE-CE3 3.52Å; M2121-W2250 HydrophobicContact CE-CG 4.4Å; M2121-W2250 HydrophobicContact CE-CH2 4.07Å; M2121-W2250 HydrophobicContact CE-CZ2 4.27Å; M2121-W2250 HydrophobicContact CE-CZ3 3.69Å; Q2124-W2250 HydrophobicContact CG-CE3 3.98Å; Q2124-W2250 HydrophobicContact CG-CZ3 4.37Å; Q2124-W2250 VanDerWaalsContact CG-O 3.29Å; Q2124-W2250 WeakPolarHBondContact CG-O 3.41Å; Q2124-W2250 PolarHBondContact N-O 3.09Å; Q2124-W2250 VanDerWaalsContact NE2-CE3 3.31Å; P2245-W2250 HydrophobicContact CG-CB 4.49Å; W2250-K2273 VanDerWaalsContact CZ2-O 3.27Å; W2250-K2273 WeakPolarHBondContact CZ2-O 3.19Å; W2250-K2273 PolarHBondContact NE1-O 3.29Å; W2250-F2275 HydrophobicContact CH2-CD2 4.16Å; W2250-H2280 AromaticContact CD1-CE1 3.92Å; W2250-H2280 AromaticContact CD1-NE2 3.97Å; W2250-H2280 AromaticContact CE2-CE1 3.6Å; W2250-H2280 AromaticContact CZ2-CE1 3.96Å; W2250-H2280 AromaticContact NE1-CE1 3.37Å; W2250-H2280 PolarHBondContact NE1-CE1 3.34Å; W2250-H2280 AromaticContact NE1-NE2 3.84Å
2251N86.4Confident76.5Confident0 Ų052.8 Ų52.80%028%0.281CS..BIsolated β-bridgetrans-110.7107.6-173.8-176.513.2000112.2S2249 N2253 F2275 H2280S2249-N2251 VanDerWaalsContact C-N 3.27Å; S2249-N2251 PolarHBondContact OG-N 3.23Å; S2249-N2251 PolarHBondContact OG-O 3.46Å; N2251-N2253 VanDerWaalsContact OD1-CB 3.28Å; N2251-N2253 WeakPolarHBondContact OD1-CB 3.41Å; N2251-N2253 PolarHBondContact OD1-N 2.93Å; N2251-N2253 VanDerWaalsContact OD1-N 3.15Å; N2251-N2253 PolarHBondContact OD1-ND2 3.23Å; N2251-F2275 WeakPolarHBondContact ND2-CD2 3.44Å; N2251-F2275 PolarHBondContact ND2-O 3.47Å; N2251-H2280 HydrophobicContact CB-CB 4.27Å; N2251-H2280 WeakPolarHBondContact CB-ND1 3.42Å
2252Y84.2Confident75.8Confident14 Ų1455.3 Ų55.36%0.05530%0.298CS..  trans-98.19.7178.5-75.1-100.2000113.8P2123 Q2124 T2248 S2249 F2254 M2255 G2256 R2258 H2259P2123-Y2252 HydrophobicContact CB-CD2 4.2Å; P2123-Y2252 HydrophobicContact CB-CE2 3.67Å; Q2124-Y2252 PolarHBondContact O-N 3.47Å; T2248-Y2252 WeakPolarHBondContact CB-OH 3.21Å; S2249-Y2252 WeakPolarHBondContact O-CE2 3.28Å; Y2252-F2254 VanDerWaalsContact C-N 3.25Å; Y2252-F2254 PolarHBondContact O-N 2.94Å; Y2252-M2255 HydrophobicContact CD1-CB 4.28Å; Y2252-M2255 CarbonylContact O-C 3.55Å; Y2252-M2255 WeakPolarHBondContact O-CA 3.32Å; Y2252-M2255 PolarHBondContact O-N 2.79Å; Y2252-G2256 PolarHBondContact O-N 3.27Å; Y2252-G2256 VanDerWaalsContact O-N 3.14Å; Y2252-R2258 HydrophobicContact CD1-CB 4.27Å; Y2252-R2258 HydrophobicContact CE1-CB 4.22Å; Y2252-H2259 HydrophobicContact CD1-CB 4.17Å; Y2252-H2259 HydrophobicContact CG-CB 4.23Å
2253N79.8Confident75.1Confident42 Ų4257 Ų5723%0.22531%0.307CS..THydrogen-bonded Turntrans-60.1-30.8-178.6-79.7-30.5000114.9T2096 W2125 G2126 N2251 F2275T2096-N2253 WeakPolarHBondContact CG2-ND2 3.29Å; W2125-N2253 VanDerWaalsContact CA-OD1 3.3Å; W2125-N2253 WeakPolarHBondContact CA-OD1 3.03Å; W2125-N2253 WeakPolarHBondContact CB-OD1 3.27Å; G2126-N2253 PolarHBondContact N-OD1 2.9Å; G2126-N2253 PolarHBondContact O-OD1 2.7Å; N2251-N2253 VanDerWaalsContact OD1-CB 3.28Å; N2251-N2253 WeakPolarHBondContact OD1-CB 3.41Å; N2251-N2253 PolarHBondContact OD1-N 2.93Å; N2251-N2253 VanDerWaalsContact OD1-N 3.15Å; N2251-N2253 PolarHBondContact OD1-ND2 3.23Å; N2253-F2275 HydrophobicContact CB-CZ 4.1Å; N2253-F2275 WeakPolarHBondContact ND2-CE2 3.3Å; N2253-F2275 WeakPolarHBondContact ND2-CZ 3.32Å
2254F73.4Confident74.4Confident46 Ų4666.7 Ų66.720%0.20235%0.349CS..THydrogen-bonded Turntrans-98.110.3174.9-48.5-86.1000112.4W2047 Y2252 F2275 Y2276 H2280 R2281 H2284W2047-F2254 HydrophobicContact CB-CE1 4.41Å; Y2252-F2254 VanDerWaalsContact C-N 3.25Å; Y2252-F2254 PolarHBondContact O-N 2.94Å; F2254-F2275 HydrophobicContact CE2-CD1 4Å; F2254-F2275 AromaticContact CE2-CE1 3.63Å; F2254-F2275 HydrophobicContact CE2-CE1 3.63Å; F2254-F2275 HydrophobicContact CE2-CZ 4.44Å; F2254-F2275 HydrophobicContact CZ-CD1 4.24Å; F2254-F2275 AromaticContact CZ-CE1 3.7Å; F2254-F2275 HydrophobicContact CZ-CE1 3.7Å; F2254-Y2276 HydrophobicContact CE1-CE1 4.47Å; F2254-Y2276 HydrophobicContact CE2-CD1 4.39Å; F2254-Y2276 HydrophobicContact CE2-CE1 4.46Å; F2254-Y2276 AromaticContact CZ-CD1 3.86Å; F2254-Y2276 HydrophobicContact CZ-CD1 3.86Å; F2254-Y2276 AromaticContact CZ-CE1 3.62Å; F2254-Y2276 HydrophobicContact CZ-CE1 3.62Å; F2254-H2280 VanDerWaalsContact CB-O 3.3Å; F2254-H2280 WeakPolarHBondContact CB-O 3.41Å; F2254-H2280 WeakPolarHBondContact CD2-O 3.36Å; F2254-R2281 HydrophobicContact CB-CG 4.43Å; F2254-R2281 HydrophobicContact CD1-CG 4.2Å; F2254-R2281 HydrophobicContact CD2-CG 3.42Å; F2254-R2281 VanDerWaalsContact CD2-CG 3.42Å; F2254-R2281 HydrophobicContact CE1-CG 4.33Å; F2254-R2281 HydrophobicContact CE2-CG 3.56Å; F2254-R2281 HydrophobicContact CG-CG 3.76Å; F2254-R2281 HydrophobicContact CZ-CG 4.02Å; F2254-H2284 AromaticContact CD1-CE1 3.45Å; F2254-H2284 VanDerWaalsContact CD1-CE1 3.45Å; F2254-H2284 WeakPolarHBondContact CD1-CE1 3.32Å; F2254-H2284 AromaticContact CE1-CE1 3.55Å
2255M71.8Confident74Confident27 Ų2768.1 Ų68.113%0.13335%0.353CS..  trans-141.737.9-176.2-66.7-173.8-8200111.9Y2252 V2257 R2258 P2282Y2252-M2255 HydrophobicContact CD1-CB 4.28Å; Y2252-M2255 CarbonylContact O-C 3.55Å; Y2252-M2255 WeakPolarHBondContact O-CA 3.32Å; Y2252-M2255 PolarHBondContact O-N 2.79Å; M2255-V2257 PolarHBondContact O-N 2.94Å; M2255-V2257 VanDerWaalsContact O-N 3.09Å; M2255-R2258 PolarHBondContact O-N 3.42Å; M2255-P2282 HydrophobicContact CG-CG 3.95Å; M2255-P2282 HydrophobicContact SD-CG 3.62Å
2256G67.2Low73.6Confident47 Ų4774.4 Ų74.449%0.48538%0.382SS..G310 helixtrans-56.3-31.5-168.600000115.5Y2252 R2258 H2259Y2252-G2256 PolarHBondContact O-N 3.27Å; Y2252-G2256 VanDerWaalsContact O-N 3.14Å; G2256-R2258 PolarHBondContact O-N 2.9Å; G2256-H2259 PolarHBondContact O-N 3.35Å
2257V67.4Low73.9Confident155 Ų15572.6 Ų72.694%0.93937%0.369SS*.G310 helixtrans-69.6-12.6179.3-1460000113.3M2255M2255-V2257 PolarHBondContact O-N 2.94Å; M2255-V2257 VanDerWaalsContact O-N 3.09Å
2258R69Low74.8Confident178 Ų17868 Ų6867%0.67235%0.347SS*.G310 helixtrans-98.4-4.4-178.8-65-172178.4-172-0.7114.4Y2252 M2255 G2256Y2252-R2258 HydrophobicContact CD1-CB 4.27Å; Y2252-R2258 HydrophobicContact CE1-CB 4.22Å; M2255-R2258 PolarHBondContact O-N 3.42Å; G2256-R2258 PolarHBondContact O-N 2.9Å
2259H73.9Confident75.5Confident26 Ų2668.5 Ų68.512%0.1235%0.352CS..  trans-95.5124.9-177.1176.2-75.1000111.4W2125 Y2252 G2256W2125-H2259 AromaticContact CD1-CD2 3.88Å; W2125-H2259 AromaticContact CD1-CE1 3.76Å; W2125-H2259 AromaticContact CD1-CG 3.69Å; W2125-H2259 AromaticContact CD1-ND1 3.61Å; W2125-H2259 AromaticContact CD1-NE2 3.91Å; W2125-H2259 AromaticContact NE1-ND1 3.81Å; Y2252-H2259 HydrophobicContact CD1-CB 4.17Å; Y2252-H2259 HydrophobicContact CG-CB 4.23Å; G2256-H2259 PolarHBondContact O-N 3.35Å
2260D74.7Confident75.8Confident87 Ų8772.1 Ų72.147%0.46537%0.37SS..  trans-117132.1177.2-169.9-38.6000110.4N2262 M2263D2260-N2262 PolarHBondContact O-N 2.83Å; D2260-N2262 VanDerWaalsContact O-N 3.11Å; D2260-N2262 PolarHBondContact OD1-N 3.41Å; D2260-M2263 HydrophobicContact CB-CB 4.5Å; D2260-M2263 VanDerWaalsContact O-CB 3.25Å; D2260-M2263 WeakPolarHBondContact O-CB 3.24Å; D2260-M2263 PolarHBondContact O-N 3.37Å; D2260-M2263 VanDerWaalsContact O-N 3.11Å
2261P69.9Low75.6Confident69 Ų6979.9 Ų79.945%0.44840%0.404SS..THydrogen-bonded Turntrans-53.8-25.2175-26.234.1000115.5N2135N2135-P2261 PolarHBondContact N-O 3.28Å; N2135-P2261 PolarHBondContact ND2-O 3Å
2262N74.6Confident75.5Confident123 Ų12380 Ų8066%0.65841%0.405SS*.THydrogen-bonded Turntrans-10114.3-178.5-64.4-33.2000113.5N2135 D2260 K2264N2135-N2262 PolarHBondContact ND2-OD1 3.29Å; D2260-N2262 PolarHBondContact O-N 2.83Å; D2260-N2262 VanDerWaalsContact O-N 3.11Å; D2260-N2262 PolarHBondContact OD1-N 3.41Å; N2262-K2264 PolarHBondContact O-N 3.46Å
2263M74.3Confident75.6Confident51 Ų5184 Ų8425%0.25142%0.423SS..  trans-63.6130.6179.2-176.4177.9-179.600111.9P2123 D2260P2123-M2263 HydrophobicContact CB-SD 4.2Å; P2123-M2263 HydrophobicContact CG-SD 4.4Å; D2260-M2263 HydrophobicContact CB-CB 4.5Å; D2260-M2263 VanDerWaalsContact O-CB 3.25Å; D2260-M2263 WeakPolarHBondContact O-CB 3.24Å; D2260-M2263 PolarHBondContact O-N 3.37Å; D2260-M2263 VanDerWaalsContact O-N 3.11Å
2264K72.2Confident75.9Confident203 Ų20387.7 Ų87.788%0.88344%0.436SS*.  trans-86.7142.5168.7-66.1-174.5178.9-176.70110.2N2262N2262-K2264 PolarHBondContact O-N 3.46Å
2265Y75.1Confident76.5Confident42 Ų4285.6 Ų85.617%0.16543%0.427CS..  trans-141.3147.1-179.360.7-87.3000110.9P2122 P2123 P2134 G2136 P2138 L2267P2122-Y2265 HydrophobicContact CB-CE2 4.38Å; P2123-Y2265 HydrophobicContact CG-CD1 4.26Å; P2123-Y2265 HydrophobicContact CG-CG 4.01Å; P2134-Y2265 HydrophobicContact CB-CD1 4.32Å; P2134-Y2265 HydrophobicContact CB-CE1 4.04Å; P2134-Y2265 HydrophobicContact CG-CD1 4.26Å; P2134-Y2265 HydrophobicContact CG-CE1 4.13Å; G2136-Y2265 WeakPolarHBondContact O-CE1 3.4Å; G2136-Y2265 PolarHBondContact O-OH 3.09Å; P2138-Y2265 HydrophobicContact CB-CE2 4.25Å; Y2265-L2267 HydrophobicContact CD2-CD2 4.16Å; Y2265-L2267 HydrophobicContact CD2-CG 4.42Å; Y2265-L2267 HydrophobicContact CE2-CD2 4.19Å; Y2265-L2267 HydrophobicContact CE2-CG 4.41Å
2266E75.3Confident77.1Confident141 Ų14185.3 Ų85.366%0.65943%0.425SS*.  trans-100.4165.5171.1-70.1177.4175.300109.8P2245 P2246P2245-E2266 WeakPolarHBondContact CA-O 3.41Å; P2246-E2266 WeakPolarHBondContact CD-O 3.35Å; P2246-E2266 HydrophobicContact CG-CB 3.89Å
2267L77.5Confident77.9Confident17 Ų1786.2 Ų86.29%0.08942%0.416CS..  trans-124.4153.1-179.6-68.1175.3000111.7V2120 P2138 D2140 L2143 M2243 Y2265V2120-L2267 HydrophobicContact CG1-CD1 3.64Å; V2120-L2267 HydrophobicContact CG1-CD2 3.68Å; V2120-L2267 HydrophobicContact CG1-CG 4.34Å; P2138-L2267 HydrophobicContact CB-CD1 3.42Å; P2138-L2267 VanDerWaalsContact CB-CD1 3.42Å; D2140-L2267 HydrophobicContact CB-CB 4.38Å; D2140-L2267 HydrophobicContact CB-CD1 4.32Å; L2143-L2267 HydrophobicContact CD1-CD1 3.93Å; M2243-L2267 HydrophobicContact CB-CB 4.38Å; M2243-L2267 HydrophobicContact CB-CD1 4.39Å; M2243-L2267 HydrophobicContact CB-CD2 4.33Å; M2243-L2267 HydrophobicContact CE-CB 3.78Å; M2243-L2267 HydrophobicContact CE-CD1 4.35Å; M2243-L2267 HydrophobicContact SD-CD1 4.4Å; Y2265-L2267 HydrophobicContact CD2-CD2 4.16Å; Y2265-L2267 HydrophobicContact CD2-CG 4.42Å; Y2265-L2267 HydrophobicContact CE2-CD2 4.19Å; Y2265-L2267 HydrophobicContact CE2-CG 4.41Å
2268Q81.7Confident78.4Confident85 Ų8587.4 Ų87.440%0.39740%0.404SS..EExtended strand (participates in β ladder)trans-142.3141.7172-168.7179.33.800109.5M2243 V2244 P2246 L2270M2243-Q2268 WeakPolarHBondContact CA-O 3.48Å; V2244-Q2268 PolarHBondContact N-O 2.93Å; V2244-Q2268 PolarHBondContact O-N 3.48Å; P2246-Q2268 HydrophobicContact CB-CB 4.48Å; Q2268-L2270 HydrophobicContact CB-CD1 4.33Å; Q2268-L2270 HydrophobicContact CG-CD1 4.06Å; Q2268-L2270 HydrophobicContact CG-CG 4.2Å; Q2268-L2270 PolarHBondContact O-N 3.07Å; Q2268-L2270 VanDerWaalsContact OE1-CD1 3.28Å
2269P79.3Confident78.8Confident70 Ų7082.7 Ų82.746%0.45539%0.391SS..EExtended strand (participates in β ladder)trans-68.991.9172.927.6-34.5000110.4Y2142Y2142-P2269 HydrophobicContact CE2-CG 4.44Å
2270L80.3Confident79.2Confident85 Ų8581.4 Ų81.445%0.44539%0.385SS..  trans-143.5155.4-177.7-88.7172.5000110F2242 V2244 Q2268F2242-L2270 WeakPolarHBondContact CB-O 3.45Å; F2242-L2270 PolarHBondContact O-N 3.36Å; V2244-L2270 HydrophobicContact CG2-CB 3.38Å; V2244-L2270 HydrophobicContact CG2-CD1 4.45Å; Q2268-L2270 HydrophobicContact CB-CD1 4.33Å; Q2268-L2270 HydrophobicContact CG-CD1 4.06Å; Q2268-L2270 HydrophobicContact CG-CG 4.2Å; Q2268-L2270 PolarHBondContact O-N 3.07Å; Q2268-L2270 VanDerWaalsContact OE1-CD1 3.28Å
2271K81Confident79.3Confident170 Ų17078.8 Ų78.874%0.73937%0.369SS*.PPolyproline II helixtrans-75.1131.5177.3-69.1177.4-177.5173.20110
2272P83.9Confident79.4Confident3 Ų377.7 Ų77.72%0.01936%0.362CS..PPolyproline II helixtrans-63.8139.5175.823-32.6000112.1K2087 I2091 M2121 F2242 V2244K2087-P2272 WeakPolarHBondContact CE-O 3.41Å; K2087-P2272 HydrophobicContact CG-CG 4.18Å; K2087-P2272 PolarHBondContact NZ-O 3.3Å; I2091-P2272 HydrophobicContact CD1-CB 3.6Å; I2091-P2272 HydrophobicContact CD1-CG 3.52Å; I2091-P2272 HydrophobicContact CG2-CB 4.13Å; I2091-P2272 HydrophobicContact CG2-CG 4.06Å; I2091-P2272 WeakPolarHBondContact CG2-O 3.46Å; M2121-P2272 HydrophobicContact CG-CB 4.14Å; M2121-P2272 HydrophobicContact CG-CG 4.45Å; F2242-P2272 HydrophobicContact CB-CG 4.33Å; F2242-P2272 HydrophobicContact CD1-CG 3.58Å; F2242-P2272 HydrophobicContact CD2-CG 4.26Å; F2242-P2272 HydrophobicContact CE1-CG 3.83Å; F2242-P2272 HydrophobicContact CE2-CG 4.49Å; F2242-P2272 VanDerWaalsContact CG-CD 3.45Å; F2242-P2272 HydrophobicContact CG-CG 3.8Å; F2242-P2272 HydrophobicContact CZ-CG 4.28Å; V2244-P2272 HydrophobicContact CG1-CB 3.9Å
2273K85.7Confident79.1Confident98 Ų9874.2 Ų74.243%0.42635%0.347SS..PPolyproline II helixtrans-74.2150.4174.7-64.9176-179.2164.90109.4W2250 H2277 I2279W2250-K2273 VanDerWaalsContact CZ2-O 3.27Å; W2250-K2273 WeakPolarHBondContact CZ2-O 3.19Å; W2250-K2273 PolarHBondContact NE1-O 3.29Å; K2273-H2277 HydrophobicContact CB-CB 3.96Å; K2273-I2279 HydrophobicContact CD-CD1 3.98Å
2274K85.9Confident78.9Confident118 Ų11873.2 Ų73.251%0.51334%0.342SS..PPolyproline II helixtrans-61153.1-180-62.4-178.9178.3-1790111.6Y2276 H2277 H2280K2274-Y2276 VanDerWaalsContact C-N 3.25Å; K2274-Y2276 PolarHBondContact O-N 2.86Å; K2274-H2277 WeakPolarHBondContact O-CB 3.35Å; K2274-H2277 PolarHBondContact O-N 2.97Å; K2274-H2280 PolarHBondContact O-CE1 3.4Å; K2274-H2280 PolarHBondContact O-ND1 3.1Å
2275F85.3Confident78.6Confident3 Ų366.9 Ų66.91%0.01331%0.314CS..THydrogen-bonded Turntrans-48.5-47.9178.7-169.3-91.4000112.7I2091 D2093 T2096 I2098 W2250 N2251 N2253 F2254 H2277 H2280I2091-F2275 WeakPolarHBondContact O-CA 3.45Å; I2091-F2275 VanDerWaalsContact O-CB 3.27Å; I2091-F2275 WeakPolarHBondContact O-CB 3.35Å; I2091-F2275 PolarHBondContact O-N 3.33Å; D2093-F2275 HydrophobicContact CB-CB 4.47Å; D2093-F2275 HydrophobicContact CB-CD1 3.86Å; D2093-F2275 HydrophobicContact CB-CD2 3.83Å; D2093-F2275 HydrophobicContact CB-CE1 3.91Å; D2093-F2275 HydrophobicContact CB-CE2 3.89Å; D2093-F2275 HydrophobicContact CB-CG 3.8Å; D2093-F2275 HydrophobicContact CB-CZ 3.91Å; T2096-F2275 HydrophobicContact CG2-CE2 4.16Å; T2096-F2275 HydrophobicContact CG2-CZ 3.85Å; T2096-F2275 WeakPolarHBondContact OG1-CZ 3.39Å; I2098-F2275 HydrophobicContact CG2-CD2 3.75Å; I2098-F2275 HydrophobicContact CG2-CE2 3.86Å; W2250-F2275 HydrophobicContact CH2-CD2 4.16Å; N2251-F2275 WeakPolarHBondContact ND2-CD2 3.44Å; N2251-F2275 PolarHBondContact ND2-O 3.47Å; N2253-F2275 HydrophobicContact CB-CZ 4.1Å; N2253-F2275 WeakPolarHBondContact ND2-CE2 3.3Å; N2253-F2275 WeakPolarHBondContact ND2-CZ 3.32Å; F2254-F2275 HydrophobicContact CE2-CD1 4Å; F2254-F2275 AromaticContact CE2-CE1 3.63Å; F2254-F2275 HydrophobicContact CE2-CE1 3.63Å; F2254-F2275 HydrophobicContact CE2-CZ 4.44Å; F2254-F2275 HydrophobicContact CZ-CD1 4.24Å; F2254-F2275 AromaticContact CZ-CE1 3.7Å; F2254-F2275 HydrophobicContact CZ-CE1 3.7Å; F2275-H2277 VanDerWaalsContact C-N 3.32Å; F2275-H2277 PolarHBondContact O-N 3.13Å; F2275-H2280 WeakPolarHBondContact O-CB 3.48Å; F2275-H2280 PolarHBondContact O-ND1 3.3Å
2276Y84.5Confident78.2Confident20 Ų2070.2 Ų70.28%0.07833%0.334CS..THydrogen-bonded Turntrans-90.426.9179.6-62.9-83.5000113.4W2047 R2050 A2051 A2054 D2093 F2254 K2274 R2281W2047-Y2276 HydrophobicContact CB-CE1 4.29Å; W2047-Y2276 WeakPolarHBondContact O-CE1 3.42Å; R2050-Y2276 HydrophobicContact CB-CE2 4.37Å; R2050-Y2276 WeakPolarHBondContact CB-OH 3.2Å; A2051-Y2276 HydrophobicContact CB-CD1 3.72Å; A2051-Y2276 HydrophobicContact CB-CD2 4.01Å; A2051-Y2276 HydrophobicContact CB-CE1 4.1Å; A2051-Y2276 HydrophobicContact CB-CE2 4.37Å; A2051-Y2276 HydrophobicContact CB-CG 3.7Å; A2054-Y2276 HydrophobicContact CB-CD2 3.79Å; A2054-Y2276 HydrophobicContact CB-CE2 3.78Å; D2093-Y2276 HydrophobicContact CB-CE2 4.27Å; D2093-Y2276 VanDerWaalsContact OD1-CE2 3.27Å; D2093-Y2276 WeakPolarHBondContact OD1-CE2 3.44Å; D2093-Y2276 PolarHBondContact OD1-OH 2.99Å; D2093-Y2276 PolarHBondContact OD2-OH 3.48Å; F2254-Y2276 HydrophobicContact CE1-CE1 4.47Å; F2254-Y2276 HydrophobicContact CE2-CD1 4.39Å; F2254-Y2276 HydrophobicContact CE2-CE1 4.46Å; F2254-Y2276 AromaticContact CZ-CD1 3.86Å; F2254-Y2276 HydrophobicContact CZ-CD1 3.86Å; F2254-Y2276 AromaticContact CZ-CE1 3.62Å; F2254-Y2276 HydrophobicContact CZ-CE1 3.62Å; K2274-Y2276 VanDerWaalsContact C-N 3.25Å; K2274-Y2276 PolarHBondContact O-N 2.86Å; Y2276-R2281 PolarHBondContact O-NE 3.35Å; Y2276-R2281 PolarHBondContact O-NH2 3.37Å
2277H84Confident77.6Confident67 Ų6768.5 Ų68.531%0.3133%0.33SS..  trans-64155.8176.4-169.8-91.9000112K2273 K2274 F2275 I2279 H2280K2273-H2277 HydrophobicContact CB-CB 3.96Å; K2274-H2277 WeakPolarHBondContact O-CB 3.35Å; K2274-H2277 PolarHBondContact O-N 2.97Å; F2275-H2277 VanDerWaalsContact C-N 3.32Å; F2275-H2277 PolarHBondContact O-N 3.13Å; H2277-I2279 VanDerWaalsContact C-N 3.27Å; H2277-I2279 PolarHBondContact ND1-N 3.46Å; H2277-I2279 PolarHBondContact O-N 2.9Å; H2277-H2280 WeakPolarHBondContact O-CB 3.45Å; H2277-H2280 PolarHBondContact O-N 2.9Å
2278R79Confident76.6Confident180 Ų18072.5 Ų72.568%0.67935%0.347SS*.G310 helixtrans-52.1-46.8-178.8-176.4178.5175.6-174.1-0112.5H2280 R2281 F2285R2278-H2280 PolarHBondContact O-N 3.44Å; R2278-H2280 VanDerWaalsContact O-N 3.16Å; R2278-R2281 PolarHBondContact O-N 2.91Å; R2278-R2281 VanDerWaalsContact O-N 3.15Å; R2278-F2285 VanDerWaalsContact CA-CE2 3.47Å; R2278-F2285 HydrophobicContact CB-CE2 4Å; R2278-F2285 HydrophobicContact CB-CZ 4.07Å; R2278-F2285 HydrophobicContact CG-CD2 3.87Å; R2278-F2285 HydrophobicContact CG-CE1 4.32Å; R2278-F2285 HydrophobicContact CG-CE2 3.71Å; R2278-F2285 HydrophobicContact CG-CG 4.31Å; R2278-F2285 HydrophobicContact CG-CZ 3.93Å
2279I77.3Confident75.5Confident78 Ų7871.8 Ų71.840%0.435%0.348SS..G310 helixtrans-61.6-22.6-179.3-64.9169000113.1K2273 H2277K2273-I2279 HydrophobicContact CD-CD1 3.98Å; H2277-I2279 VanDerWaalsContact C-N 3.27Å; H2277-I2279 PolarHBondContact ND1-N 3.46Å; H2277-I2279 PolarHBondContact O-N 2.9Å
2280H82.5Confident74.4Confident0 Ų071.1 Ų71.10%035%0.345CS..G310 helixtrans-88.2-15.2-177.8-58.3-178.2000112.2S2249 W2250 N2251 F2254 K2274 F2275 H2277 R2278S2249-H2280 PolarHBondContact OG-CD2 3.46Å; S2249-H2280 PolarHBondContact OG-NE2 3.14Å; W2250-H2280 AromaticContact CD1-CE1 3.92Å; W2250-H2280 AromaticContact CD1-NE2 3.97Å; W2250-H2280 AromaticContact CE2-CE1 3.6Å; W2250-H2280 AromaticContact CZ2-CE1 3.96Å; W2250-H2280 AromaticContact NE1-CE1 3.37Å; W2250-H2280 PolarHBondContact NE1-CE1 3.34Å; W2250-H2280 AromaticContact NE1-NE2 3.84Å; N2251-H2280 HydrophobicContact CB-CB 4.27Å; N2251-H2280 WeakPolarHBondContact CB-ND1 3.42Å; F2254-H2280 VanDerWaalsContact CB-O 3.3Å; F2254-H2280 WeakPolarHBondContact CB-O 3.41Å; F2254-H2280 WeakPolarHBondContact CD2-O 3.36Å; K2274-H2280 PolarHBondContact O-CE1 3.4Å; K2274-H2280 PolarHBondContact O-ND1 3.1Å; F2275-H2280 WeakPolarHBondContact O-CB 3.48Å; F2275-H2280 PolarHBondContact O-ND1 3.3Å; H2277-H2280 WeakPolarHBondContact O-CB 3.45Å; H2277-H2280 PolarHBondContact O-N 2.9Å; R2278-H2280 PolarHBondContact O-N 3.44Å; R2278-H2280 VanDerWaalsContact O-N 3.16Å
2281R75.5Confident73.3Confident31 Ų3171.4 Ų71.412%0.11735%0.346CS..  trans-128.846.6-168.2-64.2-177.8-57.8156.7-0.9113.1F2254 Y2276 R2278 S2283 H2284 F2285F2254-R2281 HydrophobicContact CB-CG 4.43Å; F2254-R2281 HydrophobicContact CD1-CG 4.2Å; F2254-R2281 HydrophobicContact CD2-CG 3.42Å; F2254-R2281 VanDerWaalsContact CD2-CG 3.42Å; F2254-R2281 HydrophobicContact CE1-CG 4.33Å; F2254-R2281 HydrophobicContact CE2-CG 3.56Å; F2254-R2281 HydrophobicContact CG-CG 3.76Å; F2254-R2281 HydrophobicContact CZ-CG 4.02Å; Y2276-R2281 PolarHBondContact O-NE 3.35Å; Y2276-R2281 PolarHBondContact O-NH2 3.37Å; R2278-R2281 PolarHBondContact O-N 2.91Å; R2278-R2281 VanDerWaalsContact O-N 3.15Å; R2281-S2283 PolarHBondContact O-N 2.78Å; R2281-H2284 HydrophobicContact CB-CB 4.29Å; R2281-H2284 PolarHBondContact O-N 2.81Å; R2281-H2284 VanDerWaalsContact O-N 3.1Å; R2281-F2285 HydrophobicContact CB-CD2 4.41Å; R2281-F2285 HydrophobicContact CB-CE2 3.97Å; R2281-F2285 WeakPolarHBondContact O-CD2 3.23Å; R2281-F2285 PolarHBondContact O-N 2.91Å
2282P72.9Confident72.1Confident47 Ų4769.7 Ų69.731%0.30534%0.341SS..Hα-helixtrans-57-38.3-174.123.6-32.8000112.8M2255 H2284 F2285 L2286M2255-P2282 HydrophobicContact CG-CG 3.95Å; M2255-P2282 HydrophobicContact SD-CG 3.62Å; P2282-H2284 VanDerWaalsContact C-N 3.33Å; P2282-H2284 PolarHBondContact O-N 2.55Å; P2282-F2285 PolarHBondContact O-N 2.66Å; P2282-L2286 WeakPolarHBondContact O-CD1 3.14Å; P2282-L2286 VanDerWaalsContact O-CG 3.29Å; P2282-L2286 WeakPolarHBondContact O-CG 3.45Å; P2282-L2286 PolarHBondContact O-N 3Å
2283S67.8Low70.7Confident49 Ų4976.8 Ų76.834%0.34337%0.374SS..Hα-helixtrans-57.6-39.9176.749.90000113.5R2281 N2287R2281-S2283 PolarHBondContact O-N 2.78Å; S2283-N2287 PolarHBondContact O-N 3.35Å; S2283-N2287 PolarHBondContact O-OD1 3.12Å
2284H70.4Confident69.2Low30 Ų3078 Ų7814%0.13939%0.385CS..Hα-helixtrans-68.5-36.7178.8-64.1144.6000113W2047 F2254 R2281 P2282 F2288W2047-H2284 AromaticContact CD1-NE2 3.83Å; W2047-H2284 AromaticContact CD2-CE1 3.81Å; W2047-H2284 AromaticContact CE2-CE1 3.99Å; W2047-H2284 AromaticContact CE2-NE2 3.8Å; W2047-H2284 AromaticContact CG-CE1 3.93Å; W2047-H2284 AromaticContact NE1-NE2 3.67Å; F2254-H2284 AromaticContact CD1-CE1 3.45Å; F2254-H2284 VanDerWaalsContact CD1-CE1 3.45Å; F2254-H2284 WeakPolarHBondContact CD1-CE1 3.32Å; F2254-H2284 AromaticContact CE1-CE1 3.55Å; R2281-H2284 HydrophobicContact CB-CB 4.29Å; R2281-H2284 PolarHBondContact O-N 2.81Å; R2281-H2284 VanDerWaalsContact O-N 3.1Å; P2282-H2284 VanDerWaalsContact C-N 3.33Å; P2282-H2284 PolarHBondContact O-N 2.55Å; H2284-F2288 WeakPolarHBondContact O-CD2 3.28Å
2285F66.6Low67.7Low70 Ų7079.2 Ų79.231%0.30739%0.392SS..Hα-helixtrans-77.8-31.4179.4-64.1-78000112.1R2278 R2281 P2282 N2287 F2288 T2289R2278-F2285 VanDerWaalsContact CA-CE2 3.47Å; R2278-F2285 HydrophobicContact CB-CE2 4Å; R2278-F2285 HydrophobicContact CB-CZ 4.07Å; R2278-F2285 HydrophobicContact CG-CD2 3.87Å; R2278-F2285 HydrophobicContact CG-CE1 4.32Å; R2278-F2285 HydrophobicContact CG-CE2 3.71Å; R2278-F2285 HydrophobicContact CG-CG 4.31Å; R2278-F2285 HydrophobicContact CG-CZ 3.93Å; R2281-F2285 HydrophobicContact CB-CD2 4.41Å; R2281-F2285 HydrophobicContact CB-CE2 3.97Å; R2281-F2285 WeakPolarHBondContact O-CD2 3.23Å; R2281-F2285 PolarHBondContact O-N 2.91Å; P2282-F2285 PolarHBondContact O-N 2.66Å; F2285-N2287 VanDerWaalsContact C-N 3.27Å; F2285-N2287 PolarHBondContact O-N 2.76Å; F2285-F2288 PolarHBondContact O-N 3.45Å; F2285-F2288 VanDerWaalsContact O-N 3.08Å; F2285-T2289 PolarHBondContact O-N 3.45Å; F2285-T2289 VanDerWaalsContact O-N 3.12Å; F2285-T2289 PolarHBondContact O-OG1 2.95Å
2286L66.5Low66.1Low112 Ų11286.2 Ų86.259%0.58643%0.429SS*.Hα-helixtrans-61.9-35.3171.3-73161.8000111.8P2282 F2288 T2289 S2290P2282-L2286 WeakPolarHBondContact O-CD1 3.14Å; P2282-L2286 VanDerWaalsContact O-CG 3.29Å; P2282-L2286 WeakPolarHBondContact O-CG 3.45Å; P2282-L2286 PolarHBondContact O-N 3Å; L2286-F2288 PolarHBondContact O-N 2.6Å; L2286-T2289 WeakPolarHBondContact CA-OG1 3.48Å; L2286-T2289 PolarHBondContact O-N 3.28Å; L2286-T2289 PolarHBondContact O-OG1 2.7Å; L2286-S2290 PolarHBondContact O-N 2.87Å; L2286-S2290 PolarHBondContact O-OG 2.93Å
2287N62Low64.5Low105 Ų10591 Ų9156%0.56146%0.461SS*.Hα-helixtrans-68.1-16173.2-69.10.4000114.2S2283 F2285 S2290 I2291S2283-N2287 PolarHBondContact O-N 3.35Å; S2283-N2287 PolarHBondContact O-OD1 3.12Å; F2285-N2287 VanDerWaalsContact C-N 3.27Å; F2285-N2287 PolarHBondContact O-N 2.76Å; N2287-S2290 VanDerWaalsContact C-OG 3.29Å; N2287-S2290 WeakPolarHBondContact CA-OG 3.46Å; N2287-S2290 PolarHBondContact O-OG 3.32Å; N2287-I2291 WeakPolarHBondContact O-CD1 3.16Å; N2287-I2291 WeakPolarHBondContact O-CG1 3.31Å
2288F56.7Low62.5Low102 Ų10295.5 Ų95.545%0.44749%0.486SS..Hα-helixtrans-95.5-33175-80.4-78.6000112.5H2284 F2285 L2286 S2290 I2291 E2292H2284-F2288 WeakPolarHBondContact O-CD2 3.28Å; F2285-F2288 PolarHBondContact O-N 3.45Å; F2285-F2288 VanDerWaalsContact O-N 3.08Å; L2286-F2288 PolarHBondContact O-N 2.6Å; F2288-S2290 PolarHBondContact O-N 3.02Å; F2288-I2291 HydrophobicContact CD1-CD1 4.47Å; F2288-I2291 WeakPolarHBondContact O-CA 3.39Å; F2288-I2291 WeakPolarHBondContact O-CB 3.32Å; F2288-I2291 PolarHBondContact O-N 3.09Å; F2288-E2292 PolarHBondContact O-N 3.47Å; F2288-E2292 VanDerWaalsContact O-N 3.11Å
2289T59.2Low60.6Low69 Ų6993.3 Ų93.342%0.42349%0.493SS..Hα-helixtrans-65.4-32.1176.22.50000111.3F2285 L2286 I2291 E2292 E2293F2285-T2289 PolarHBondContact O-N 3.45Å; F2285-T2289 VanDerWaalsContact O-N 3.12Å; F2285-T2289 PolarHBondContact O-OG1 2.95Å; L2286-T2289 WeakPolarHBondContact CA-OG1 3.48Å; L2286-T2289 PolarHBondContact O-N 3.28Å; L2286-T2289 PolarHBondContact O-OG1 2.7Å; T2289-I2291 PolarHBondContact O-N 2.94Å; T2289-E2292 PolarHBondContact O-N 3.33Å; T2289-E2293 PolarHBondContact O-N 2.92Å
2290S55.3Low58.6Low56 Ų5697.2 Ų97.239%0.39252%0.515SS..Hα-helixtrans-68.8-15170.540.10000114.3L2286 N2287 F2288 N2294L2286-S2290 PolarHBondContact O-N 2.87Å; L2286-S2290 PolarHBondContact O-OG 2.93Å; N2287-S2290 VanDerWaalsContact C-OG 3.29Å; N2287-S2290 WeakPolarHBondContact CA-OG 3.46Å; N2287-S2290 PolarHBondContact O-OG 3.32Å; F2288-S2290 PolarHBondContact O-N 3.02Å; S2290-N2294 PolarHBondContact O-ND2 2.89Å
2291I56.1Low56.6Low91 Ų91108.8 Ų108.847%0.46756%0.558SS.*Hα-helixtrans-91.5-40.4174.8-62.6171000110.3N2287 F2288 T2289 E2293 N2294 E2295N2287-I2291 WeakPolarHBondContact O-CD1 3.16Å; N2287-I2291 WeakPolarHBondContact O-CG1 3.31Å; F2288-I2291 HydrophobicContact CD1-CD1 4.47Å; F2288-I2291 WeakPolarHBondContact O-CA 3.39Å; F2288-I2291 WeakPolarHBondContact O-CB 3.32Å; F2288-I2291 PolarHBondContact O-N 3.09Å; T2289-I2291 PolarHBondContact O-N 2.94Å; I2291-E2293 VanDerWaalsContact C-N 3.31Å; I2291-E2293 PolarHBondContact O-N 3.47Å; I2291-N2294 WeakPolarHBondContact O-CB 3.5Å; I2291-N2294 PolarHBondContact O-N 2.75Å; I2291-E2295 PolarHBondContact O-N 2.92Å
2292E55.9Low54.6Low134 Ų134115.4 Ų115.463%0.62660%0.596SS**Hα-helixtrans-63.9-32.8175.9-77.6178.8162.300112.7F2288 T2289 N2294 E2295F2288-E2292 PolarHBondContact O-N 3.47Å; F2288-E2292 VanDerWaalsContact O-N 3.11Å; T2289-E2292 PolarHBondContact O-N 3.33Å; E2292-N2294 PolarHBondContact O-N 2.97Å; E2292-E2295 PolarHBondContact O-N 3.32Å
2293E56.5Low53Low153 Ų153119.6 Ų119.672%0.71562%0.616SS**THydrogen-bonded Turntrans-68.7-20.8172.7-76.6-177164.100113.3T2289 I2291T2289-E2293 PolarHBondContact O-N 2.92Å; I2291-E2293 VanDerWaalsContact C-N 3.31Å; I2291-E2293 PolarHBondContact O-N 3.47Å
2294N53Low51.4Low124 Ų124123 Ų12366%0.66364%0.637SS**THydrogen-bonded Turntrans-87.4-7.7176-81.5-47.8000113.7S2290 I2291 E2292 T2297S2290-N2294 PolarHBondContact O-ND2 2.89Å; I2291-N2294 WeakPolarHBondContact O-CB 3.5Å; I2291-N2294 PolarHBondContact O-N 2.75Å; E2292-N2294 PolarHBondContact O-N 2.97Å; N2294-T2297 PolarHBondContact O-OG1 2.72Å
2295E54Low49.6Very low143 Ų143128.6 Ų128.667%0.66867%0.667SS**G310 helixtrans-85.6-7.9178.5-75.3-170.1159.400114I2291 E2292 T2297I2291-E2295 PolarHBondContact O-N 2.92Å; E2292-E2295 PolarHBondContact O-N 3.32Å; E2295-T2297 PolarHBondContact O-N 3.11Å
2296L52.5Low48.1Very low150 Ų150133.9 Ų133.979%0.78572%0.723SS**G310 helixtrans-73.30.7179.7-86.6146.3000115.2
2297T51.5Low47.2Very low121 Ų121135 Ų13574%0.74273%0.73SS**G310 helixtrans-104.413.5-178.543.60000115.8N2294 E2295N2294-T2297 PolarHBondContact O-OG1 2.72Å; E2295-T2297 PolarHBondContact O-N 3.11Å
2298L42.2Very low46.4Very low161 Ų161136.5 Ų136.584%0.84374%0.739SS**  trans-110.176172.5-82155.1000111.3D2300L2298-D2300 PolarHBondContact O-N 3.28Å
2299T37.5Very low45.9Very low133 Ų133138.4 Ų138.482%0.81676%0.755SS**  trans-86.491.1162.529.30000109.2
2300D36.3Very low45.1Very low161 Ų161142.5 Ų142.586%0.86178%0.775SS**  trans174.875.2146.4-101.1-6.6000109.6L2298L2298-D2300 PolarHBondContact O-N 3.28Å
2301R39.4Very low44.4Very low243 Ų243147.9 Ų147.992%0.91780%0.799SS**  trans-148.199.9154.1-85.3-158.8171.2169.3-3110.3N2303R2301-N2303 PolarHBondContact O-N 3.18Å
2302D33.8Very low43.7Very low169 Ų169151.7 Ų151.790%0.90482%0.821SS**  trans-46.8125.3155.1-76.7-46.3000110.5
2303N39.9Very low42.8Very low136 Ų136153 Ų15373%0.72784%0.835SS**  trans-139.4104.7154.4-1515.4000108.7R2301 L2305R2301-N2303 PolarHBondContact O-N 3.18Å; N2303-L2305 PolarHBondContact O-N 3.5Å
2304P34.6Very low41.8Very low121 Ų121153 Ų15379%0.78684%0.844SS**  trans-79.124.4-172.630-30.6000114.3
2305L31.5Very low40.8Very low147 Ų147155.4 Ų155.477%0.7786%0.859SS**  trans-148.985.5-174.2-78162000110.9N2303N2303-L2305 PolarHBondContact O-N 3.5Å
2306A36.7Very low39.6Very low180 Ų180156.5 Ų156.5100%1.48888%0.876SS**  trans-177.20151.900000110.2

Retrieved 2,306 of 2,306 residues in 1511.7 ms (Link to these results)

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