A0A5K4F573_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F573, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 93 aa.

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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
1M61.5Low61.4Low207 Ų207134.4 Ų134.4100%1.0264%0.643SS**  0-43.30-63.3-139.5-140.400113.3R3 F4M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.19Å; M1-F4 PolarHBondContact O-N 2.7Å
2L57.7Low61.3Low140 Ų140128.6 Ų128.673%0.73363%0.628SS**Hα-helixtrans-55.9-38.3-179.2-135.890.8000115.1F4 I5 L6L2-F4 PolarHBondContact O-N 3.41Å; L2-I5 PolarHBondContact O-N 3.22Å; L2-L6 PolarHBondContact O-N 3.37Å
3R58.8Low61.2Low210 Ų210131.2 Ų131.279%0.79263%0.629SS**Hα-helixtrans-65.5-34.5179.8-74.5-175.7171.4-178.9-3113.8M1 I7M1-R3 VanDerWaalsContact C-N 3.33Å; M1-R3 PolarHBondContact O-N 3.19Å; R3-I7 WeakPolarHBondContact O-CG1 3.39Å; R3-I7 PolarHBondContact O-N 3.21Å
4F61.8Low61Low157 Ų157130.9 Ų130.969%0.68963%0.626SS**Hα-helixtrans-71.2-36177.7-92.5-88.1000111.9M1 L2 I7 L8M1-F4 PolarHBondContact O-N 2.7Å; L2-F4 PolarHBondContact O-N 3.41Å; F4-I7 PolarHBondContact O-N 2.82Å; F4-L8 WeakPolarHBondContact O-CG 3.39Å; F4-L8 PolarHBondContact O-N 2.93Å
5I66.6Low60.9Low98 Ų98127.2 Ų127.250%0.50362%0.619SS.*Hα-helixtrans-66.2-40.4176.3-60.5172.9000110.6L2 L8 L9L2-I5 PolarHBondContact O-N 3.22Å; I5-L8 PolarHBondContact O-N 3.47Å; I5-L9 HydrophobicContact CG2-CD1 4.01Å; I5-L9 WeakPolarHBondContact O-CB 2.97Å; I5-L9 WeakPolarHBondContact O-CG 3.29Å; I5-L9 PolarHBondContact O-N 3.47Å
6L59.4Low60.7Low95 Ų95126.6 Ų126.650%0.49762%0.619SS.*Hα-helixtrans-62.2-42.8174.8-98.7149.2000112.7L2 L9 I10L2-L6 PolarHBondContact O-N 3.37Å; L6-L9 PolarHBondContact O-N 2.8Å; L6-I10 WeakPolarHBondContact O-CD1 3.48Å; L6-I10 VanDerWaalsContact O-CG1 3.25Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.31Å
7I65.3Low60.7Low97 Ų97122.2 Ų122.250%0.49760%0.601SS.*Hα-helixtrans-65.3-41.3177.5-65.4167000110.9R3 F4 I10 F11R3-I7 WeakPolarHBondContact O-CG1 3.39Å; R3-I7 PolarHBondContact O-N 3.21Å; F4-I7 PolarHBondContact O-N 2.82Å; I7-I10 PolarHBondContact O-N 3.18Å; I7-F11 HydrophobicContact CG2-CD2 4.36Å; I7-F11 PolarHBondContact O-N 3.23Å
8L60.9Low60.6Low118 Ų118120.3 Ų120.362%0.61860%0.597SS**Hα-helixtrans-64.7-39.4176.1-77.3165.9000112.5F4 I5 F11 S12F4-L8 WeakPolarHBondContact O-CG 3.39Å; F4-L8 PolarHBondContact O-N 2.93Å; I5-L8 PolarHBondContact O-N 3.47Å; L8-F11 PolarHBondContact O-N 3.1Å; L8-S12 WeakPolarHBondContact O-CB 3.41Å; L8-S12 PolarHBondContact O-N 3.23Å; L8-S12 PolarHBondContact O-OG 2.82Å
9L60.6Low60.7Low103 Ų103116.6 Ų116.654%0.53959%0.587SS.*Hα-helixtrans-66.7-37.5175.8-78.5167.2000112.5I5 L6 S12 Y13I5-L9 HydrophobicContact CG2-CD1 4.01Å; I5-L9 WeakPolarHBondContact O-CB 2.97Å; I5-L9 WeakPolarHBondContact O-CG 3.29Å; I5-L9 PolarHBondContact O-N 3.47Å; L6-L9 PolarHBondContact O-N 2.8Å; L9-S12 WeakPolarHBondContact CA-OG 3.38Å; L9-S12 PolarHBondContact O-OG 3.33Å; L9-S12 VanDerWaalsContact O-OG 3.11Å; L9-Y13 VanDerWaalsContact O-CB 3.24Å; L9-Y13 WeakPolarHBondContact O-CB 3.16Å; L9-Y13 PolarHBondContact O-N 3.43Å
10I62.4Low61.1Low107 Ų107114.2 Ų114.255%0.54958%0.579SS.*Hα-helixtrans-67.3-45.4175.7-67163.2000109.9L6 I7 Y13 H14L6-I10 WeakPolarHBondContact O-CD1 3.48Å; L6-I10 VanDerWaalsContact O-CG1 3.25Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.31Å; I7-I10 PolarHBondContact O-N 3.18Å; I10-Y13 PolarHBondContact O-N 3.42Å; I10-H14 WeakPolarHBondContact O-CB 3.29Å; I10-H14 PolarHBondContact O-N 2.95Å
11F60.5Low61.2Low146 Ų146109.7 Ų109.764%0.6456%0.561SS**Hα-helixtrans-63.2-43.2177.4-107.9-86.6000112.4I7 L8 H14 S15I7-F11 HydrophobicContact CG2-CD2 4.36Å; I7-F11 PolarHBondContact O-N 3.23Å; L8-F11 PolarHBondContact O-N 3.1Å; F11-H14 PolarHBondContact O-N 3.34Å; F11-S15 WeakPolarHBondContact O-CB 3.29Å; F11-S15 PolarHBondContact O-N 3.49Å; F11-S15 PolarHBondContact O-OG 3.09Å
12S60.6Low61.6Low65 Ų65104.4 Ų104.446%0.45553%0.533SS..Hα-helixtrans-68.6-38.4178.560.20000112.2L8 L9 L16L8-S12 WeakPolarHBondContact O-CB 3.41Å; L8-S12 PolarHBondContact O-N 3.23Å; L8-S12 PolarHBondContact O-OG 2.82Å; L9-S12 WeakPolarHBondContact CA-OG 3.38Å; L9-S12 PolarHBondContact O-OG 3.33Å; L9-S12 VanDerWaalsContact O-OG 3.11Å; S12-L16 VanDerWaalsContact O-CB 3.25Å; S12-L16 WeakPolarHBondContact O-CB 3.4Å; S12-L16 PolarHBondContact O-N 3.4Å
13Y59.7Low62.4Low163 Ų163102.6 Ų102.664%0.63952%0.524SS*.Hα-helixtrans-63.6-45.3173.5-166.5-96.3000111.1L9 I10 L16 T17L9-Y13 VanDerWaalsContact O-CB 3.24Å; L9-Y13 WeakPolarHBondContact O-CB 3.16Å; L9-Y13 PolarHBondContact O-N 3.43Å; I10-Y13 PolarHBondContact O-N 3.42Å; Y13-L16 PolarHBondContact O-N 2.9Å; Y13-T17 HydrophobicContact CD1-CG2 3.95Å; Y13-T17 HydrophobicContact CE1-CG2 3.63Å; Y13-T17 WeakPolarHBondContact O-CG2 3.49Å; Y13-T17 PolarHBondContact O-N 3.38Å; Y13-T17 PolarHBondContact O-OG1 3.08Å
14H58.6Low63.1Low127 Ų12798.7 Ų98.759%0.58851%0.513SS*.Hα-helixtrans-63.1-46.2179.7-139.649.4000111.6I10 F11 L16 T17 V18I10-H14 WeakPolarHBondContact O-CB 3.29Å; I10-H14 PolarHBondContact O-N 2.95Å; F11-H14 PolarHBondContact O-N 3.34Å; H14-L16 VanDerWaalsContact C-N 3.33Å; H14-L16 PolarHBondContact O-N 3.18Å; H14-T17 WeakPolarHBondContact CA-OG1 3.37Å; H14-T17 PolarHBondContact O-N 3.4Å; H14-T17 PolarHBondContact O-OG1 3.35Å; H14-V18 WeakPolarHBondContact O-CB 3.41Å; H14-V18 WeakPolarHBondContact O-CG2 3.37Å; H14-V18 PolarHBondContact O-N 2.95Å
15S59.1Low63.9Low75 Ų7591.2 Ų91.252%0.52448%0.48SS..Hα-helixtrans-61.9-39.3175.7-60.30000112.5F11 A19F11-S15 WeakPolarHBondContact O-CB 3.29Å; F11-S15 PolarHBondContact O-N 3.49Å; F11-S15 PolarHBondContact O-OG 3.09Å; S15-A19 WeakPolarHBondContact O-CB 3.04Å; S15-A19 PolarHBondContact O-N 3.4Å
16L58.3Low64.4Low117 Ų11789 Ų8961%0.61347%0.47SS*.Hα-helixtrans-69.7-40.8178.1-162.280.6000111.8S12 Y13 H14 V18 A19 T20S12-L16 VanDerWaalsContact O-CB 3.25Å; S12-L16 WeakPolarHBondContact O-CB 3.4Å; S12-L16 PolarHBondContact O-N 3.4Å; Y13-L16 PolarHBondContact O-N 2.9Å; H14-L16 VanDerWaalsContact C-N 3.33Å; H14-L16 PolarHBondContact O-N 3.18Å; L16-V18 VanDerWaalsContact C-N 3.35Å; L16-A19 PolarHBondContact O-N 3.3Å; L16-T20 WeakPolarHBondContact O-CB 3.32Å; L16-T20 WeakPolarHBondContact O-CG2 3.41Å; L16-T20 PolarHBondContact O-N 3.03Å; L16-T20 PolarHBondContact O-OG1 2.98Å
17T60Low65.3Low52 Ų5290.1 Ų90.132%0.31947%0.473SS..Hα-helixtrans-66.7-37.3175.7470000112.1Y13 H14 T20 G21Y13-T17 HydrophobicContact CD1-CG2 3.95Å; Y13-T17 HydrophobicContact CE1-CG2 3.63Å; Y13-T17 WeakPolarHBondContact O-CG2 3.49Å; Y13-T17 PolarHBondContact O-N 3.38Å; Y13-T17 PolarHBondContact O-OG1 3.08Å; H14-T17 WeakPolarHBondContact CA-OG1 3.37Å; H14-T17 PolarHBondContact O-N 3.4Å; H14-T17 PolarHBondContact O-OG1 3.35Å; T17-T20 WeakPolarHBondContact CA-OG1 3.16Å; T17-T20 PolarHBondContact O-OG1 3.32Å; T17-T20 VanDerWaalsContact O-OG1 3.14Å; T17-G21 PolarHBondContact O-N 3.25Å
18V59.6Low66.1Low89 Ų8985.7 Ų85.754%0.53945%0.45SS..Hα-helixtrans-68.5-44.61771710000110.6H14 L16 T20 G21 F22H14-V18 WeakPolarHBondContact O-CB 3.41Å; H14-V18 WeakPolarHBondContact O-CG2 3.37Å; H14-V18 PolarHBondContact O-N 2.95Å; L16-V18 VanDerWaalsContact C-N 3.35Å; V18-T20 PolarHBondContact O-N 2.89Å; V18-G21 PolarHBondContact O-N 2.9Å; V18-F22 VanDerWaalsContact O-CB 3.26Å; V18-F22 WeakPolarHBondContact O-CB 3.45Å; V18-F22 PolarHBondContact O-N 2.84Å
19A62.7Low66.7Low49 Ų4983.5 Ų83.541%0.40544%0.439SS..Hα-helixtrans-61.6-44.5176.800000112.2S15 L16 F22 D23S15-A19 WeakPolarHBondContact O-CB 3.04Å; S15-A19 PolarHBondContact O-N 3.4Å; L16-A19 PolarHBondContact O-N 3.3Å; A19-F22 PolarHBondContact O-N 3.38Å; A19-D23 PolarHBondContact O-N 3.24Å
20T67.3Low67.5Low69 Ų6983.8 Ų83.842%0.42344%0.44SS..Hα-helixtrans-70.9-32.417952.30000113.3L16 T17 V18 K24L16-T20 WeakPolarHBondContact O-CB 3.32Å; L16-T20 WeakPolarHBondContact O-CG2 3.41Å; L16-T20 PolarHBondContact O-N 3.03Å; L16-T20 PolarHBondContact O-OG1 2.98Å; T17-T20 WeakPolarHBondContact CA-OG1 3.16Å; T17-T20 PolarHBondContact O-OG1 3.32Å; T17-T20 VanDerWaalsContact O-OG1 3.14Å; V18-T20 PolarHBondContact O-N 2.89Å; T20-K24 VanDerWaalsContact O-CG 3.29Å; T20-K24 WeakPolarHBondContact O-CG 3.32Å; T20-K24 PolarHBondContact O-N 2.95Å
21G64.8Low68.2Low20 Ų2080.9 Ų80.921%0.20643%0.425CS..Hα-helixtrans-68-43.1171.400000112.4T17 V18 K24 C25T17-G21 PolarHBondContact O-N 3.25Å; V18-G21 PolarHBondContact O-N 2.9Å; G21-K24 PolarHBondContact O-N 3.37Å; G21-C25 PolarHBondContact O-N 3.19Å; G21-C25 PolarHBondContact O-SG 3.24Å; G21-C25 VanDerWaalsContact O-SG 3.36Å
22F69.3Low68.8Low95 Ų9574.6 Ų74.642%0.41740%0.399SS..Hα-helixtrans-63.4-46.4177.2-175.9-95.1000111.9V18 A19 K24 C25 V26 I80V18-F22 VanDerWaalsContact O-CB 3.26Å; V18-F22 WeakPolarHBondContact O-CB 3.45Å; V18-F22 PolarHBondContact O-N 2.84Å; A19-F22 PolarHBondContact O-N 3.38Å; F22-K24 VanDerWaalsContact C-N 3.3Å; F22-K24 PolarHBondContact O-N 3.1Å; F22-C25 WeakPolarHBondContact O-CB 3.45Å; F22-C25 PolarHBondContact O-N 3.09Å; F22-C25 VanDerWaalsContact O-N 3.09Å; F22-V26 HydrophobicContact CD1-CG2 3.99Å; F22-V26 HydrophobicContact CE1-CG2 3.59Å; F22-V26 HydrophobicContact CE2-CG2 4.48Å; F22-V26 HydrophobicContact CZ-CG2 3.86Å; F22-V26 WeakPolarHBondContact O-CG2 3.41Å; F22-V26 PolarHBondContact O-N 3.3Å; F22-I80 HydrophobicContact CD2-CD1 3.97Å; F22-I80 HydrophobicContact CE2-CD1 3.77Å
23D75Confident69.2Low102 Ų10273.2 Ų73.255%0.54539%0.388SS..Hα-helixtrans-59.3-41176.9-80.6-14000111.8A19 V26 Q27A19-D23 PolarHBondContact O-N 3.24Å; D23-V26 PolarHBondContact O-N 2.93Å; D23-Q27 VanDerWaalsContact O-CB 3.32Å; D23-Q27 WeakPolarHBondContact O-CB 3.36Å; D23-Q27 PolarHBondContact O-N 3.48Å
24K72.7Confident69.9Low129 Ų12968.8 Ų68.856%0.56138%0.376SS*.Hα-helixtrans-63.3-41.8174.2-73.6174.9-176.3178.80112.2T20 G21 F22 Q27 M28T20-K24 VanDerWaalsContact O-CG 3.29Å; T20-K24 WeakPolarHBondContact O-CG 3.32Å; T20-K24 PolarHBondContact O-N 2.95Å; G21-K24 PolarHBondContact O-N 3.37Å; F22-K24 VanDerWaalsContact C-N 3.3Å; F22-K24 PolarHBondContact O-N 3.1Å; K24-Q27 PolarHBondContact O-N 3.3Å; K24-M28 PolarHBondContact O-N 3.41Å
25C79.2Confident70.6Confident0 Ų064.1 Ų64.10%036%0.357CS..Hα-helixtrans-63.4-41.2175.5-72.50000112.3G21 F22 M28 L29 C75 D77 I80G21-C25 PolarHBondContact O-N 3.19Å; G21-C25 PolarHBondContact O-SG 3.24Å; G21-C25 VanDerWaalsContact O-SG 3.36Å; F22-C25 WeakPolarHBondContact O-CB 3.45Å; F22-C25 PolarHBondContact O-N 3.09Å; F22-C25 VanDerWaalsContact O-N 3.09Å; C25-M28 WeakPolarHBondContact O-CB 3.48Å; C25-M28 PolarHBondContact O-N 2.9Å; C25-L29 PolarHBondContact O-N 3.41Å; C25-C75 HydrophobicContact CB-CB 3.95Å; C25-C75 WeakPolarHBondContact CB-SG 3.44Å; C25-C75 WeakPolarHBondContact SG-CA 3.42Å; C25-C75 WeakPolarHBondContact SG-CB 3.38Å; C25-C75 CovalentContact SG-SG 2.02Å; C25-C75 PolarHBondContact SG-SG 3.41Å; C25-D77 HydrophobicContact CB-CB 4.48Å; C25-D77 VanDerWaalsContact SG-CB 3.57Å; C25-I80 HydrophobicContact CB-CB 4.39Å; C25-I80 HydrophobicContact CB-CD1 3.53Å; C25-I80 HydrophobicContact CB-CG2 4.26Å
26V77.5Confident70.8Confident50 Ų5061 Ų6130%0.30333%0.334SS..Hα-helixtrans-66.7-41.8176.2173.30000110.5F22 D23 M28 L29 I30 I80F22-V26 HydrophobicContact CD1-CG2 3.99Å; F22-V26 HydrophobicContact CE1-CG2 3.59Å; F22-V26 HydrophobicContact CE2-CG2 4.48Å; F22-V26 HydrophobicContact CZ-CG2 3.86Å; F22-V26 WeakPolarHBondContact O-CG2 3.41Å; F22-V26 PolarHBondContact O-N 3.3Å; D23-V26 PolarHBondContact O-N 2.93Å; V26-M28 VanDerWaalsContact C-N 3.27Å; V26-M28 PolarHBondContact O-N 3.15Å; V26-L29 WeakPolarHBondContact O-CB 3.24Å; V26-L29 PolarHBondContact O-N 2.85Å; V26-I30 HydrophobicContact CG1-CD1 4.39Å; V26-I30 PolarHBondContact O-N 2.9Å; V26-I80 HydrophobicContact CG2-CD1 4.35Å
27Q76.9Confident71.1Confident120 Ų12059.1 Ų59.156%0.56132%0.323SS*.Hα-helixtrans-64.6-33.5177.6-163.8151.2300112.3D23 K24 L29 I30 D31D23-Q27 VanDerWaalsContact O-CB 3.32Å; D23-Q27 WeakPolarHBondContact O-CB 3.36Å; D23-Q27 PolarHBondContact O-N 3.48Å; K24-Q27 PolarHBondContact O-N 3.3Å; Q27-L29 VanDerWaalsContact C-N 3.34Å; Q27-L29 PolarHBondContact O-N 3.44Å; Q27-I30 PolarHBondContact O-N 2.75Å; Q27-D31 PolarHBondContact O-N 2.88Å
28M81.5Confident71.2Confident3 Ų365.3 Ų65.32%0.01535%0.348CS..Hα-helixtrans-57.4-43169171.8-114.9-68.200112.7K24 C25 V26 I30 D31 L32 K71 L72 C75K24-M28 PolarHBondContact O-N 3.41Å; C25-M28 WeakPolarHBondContact O-CB 3.48Å; C25-M28 PolarHBondContact O-N 2.9Å; V26-M28 VanDerWaalsContact C-N 3.27Å; V26-M28 PolarHBondContact O-N 3.15Å; M28-I30 VanDerWaalsContact C-N 3.3Å; M28-I30 PolarHBondContact O-N 3.01Å; M28-D31 PolarHBondContact O-N 3.47Å; M28-L32 HydrophobicContact CG-CD1 4.21Å; M28-L32 PolarHBondContact O-N 3.5Å; M28-L32 HydrophobicContact SD-CD1 3.7Å; M28-K71 HydrophobicContact CB-CB 4.37Å; M28-K71 HydrophobicContact CG-CB 3.38Å; M28-K71 HydrophobicContact CG-CG 4.43Å; M28-L72 HydrophobicContact CE-CD2 3.81Å; M28-L72 HydrophobicContact CE-CG 4.44Å; M28-L72 HydrophobicContact SD-CD2 4.08Å; M28-C75 HydrophobicContact CE-CB 3.04Å; M28-C75 VanDerWaalsContact CE-SG 3.54Å
29L75.4Confident71.1Confident73 Ų7366 Ų6638%0.38234%0.344SS..Hα-helixtrans-63.9-35.5176.8-64.5175.2000112.4C25 V26 Q27 L32 P33 I80 V84C25-L29 PolarHBondContact O-N 3.41Å; V26-L29 WeakPolarHBondContact O-CB 3.24Å; V26-L29 PolarHBondContact O-N 2.85Å; Q27-L29 VanDerWaalsContact C-N 3.34Å; Q27-L29 PolarHBondContact O-N 3.44Å; L29-L32 HydrophobicContact CD2-CD1 4.12Å; L29-P33 WeakPolarHBondContact O-CD 3.43Å; L29-I80 HydrophobicContact CD1-CG2 3.94Å; L29-I80 HydrophobicContact CD2-CG2 4.14Å; L29-I80 HydrophobicContact CG-CG2 4.08Å; L29-V84 HydrophobicContact CD2-CG2 3.53Å
30I76.6Confident70.7Confident109 Ų10966.4 Ų66.456%0.55934%0.337SS*.Hα-helixtrans-70.7-35.9176.7-61.8170000110.9V26 Q27 M28 P33V26-I30 HydrophobicContact CG1-CD1 4.39Å; V26-I30 PolarHBondContact O-N 2.9Å; Q27-I30 PolarHBondContact O-N 2.75Å; M28-I30 VanDerWaalsContact C-N 3.3Å; M28-I30 PolarHBondContact O-N 3.01Å; I30-P33 WeakPolarHBondContact O-CD 3.29Å
31D76.1Confident70.1Confident45 Ų4573.2 Ų73.224%0.24136%0.355CS..Hα-helixtrans-79.5-21.6179.7-75.8-13.2000113.8Q27 M28 N34 C35 K71Q27-D31 PolarHBondContact O-N 2.88Å; M28-D31 PolarHBondContact O-N 3.47Å; D31-N34 WeakPolarHBondContact O-CA 3.41Å; D31-N34 VanDerWaalsContact O-CB 3.26Å; D31-N34 WeakPolarHBondContact O-CB 3.17Å; D31-N34 PolarHBondContact O-N 2.03Å; D31-C35 PolarHBondContact O-N 3.42Å; D31-C35 VanDerWaalsContact O-N 3.13Å; D31-K71 HydrophobicContact CB-CD 4.4Å; D31-K71 IonicContact OD2-NZ 3.24Å; D31-K71 PolarHBondContact OD2-NZ 3.35Å
32L75Confident69.5Low15 Ų1578.8 Ų78.88%0.07938%0.38CS..Hα-helixtrans-56.3-46.8-179.8-107.6147.7000113M28 L29 N34 C35 Y64 V68 V84M28-L32 HydrophobicContact CG-CD1 4.21Å; M28-L32 PolarHBondContact O-N 3.5Å; M28-L32 HydrophobicContact SD-CD1 3.7Å; L29-L32 HydrophobicContact CD2-CD1 4.12Å; L32-N34 VanDerWaalsContact C-N 3.27Å; L32-N34 PolarHBondContact O-N 2.84Å; L32-C35 VanDerWaalsContact O-CB 3.23Å; L32-C35 WeakPolarHBondContact O-CB 3.04Å; L32-C35 PolarHBondContact O-N 3.41Å; L32-Y64 HydrophobicContact CD2-CE2 4.45Å; L32-V68 HydrophobicContact CD2-CB 4.1Å; L32-V68 HydrophobicContact CD2-CG1 4.03Å; L32-V68 HydrophobicContact CD2-CG2 3.34Å; L32-V84 HydrophobicContact CD1-CG1 3.98Å
33P68.9Low68.6Low35 Ų3582.2 Ų82.223%0.22740%0.397CS..Hα-helixtrans-57.6-36.4169-27.935.2000113.8L29 I30 C35 I36 M37 I47L29-P33 WeakPolarHBondContact O-CD 3.43Å; I30-P33 WeakPolarHBondContact O-CD 3.29Å; P33-C35 VanDerWaalsContact C-N 3.25Å; P33-C35 PolarHBondContact O-N 3.22Å; P33-I36 PolarHBondContact O-N 3.4Å; P33-I36 VanDerWaalsContact O-N 3.12Å; P33-M37 HydrophobicContact CB-CE 4.47Å; P33-M37 WeakPolarHBondContact O-CG 3.33Å; P33-M37 PolarHBondContact O-N 2.99Å; P33-I47 HydrophobicContact CB-CD1 3.75Å; P33-I47 HydrophobicContact CB-CG1 4.44Å; P33-I47 HydrophobicContact CG-CD1 4.13Å
34N72.5Confident67.6Low71 Ų7184 Ų8438%0.3841%0.412SS..Hα-helixtrans-65.7-29.1179.9-63.1-31.2000112.1D31 L32 I36 M37 E38D31-N34 WeakPolarHBondContact O-CA 3.41Å; D31-N34 VanDerWaalsContact O-CB 3.26Å; D31-N34 WeakPolarHBondContact O-CB 3.17Å; D31-N34 PolarHBondContact O-N 2.03Å; L32-N34 VanDerWaalsContact C-N 3.27Å; L32-N34 PolarHBondContact O-N 2.84Å; N34-I36 PolarHBondContact O-N 2.97Å; N34-I36 VanDerWaalsContact O-N 3.13Å; N34-M37 PolarHBondContact O-N 2.9Å; N34-M37 WeakPolarHBondContact OD1-CE 3.31Å; N34-E38 PolarHBondContact O-N 3.46Å
35C73.7Confident66.7Low29 Ų2983.6 Ų83.620%0.19641%0.41CS..Hα-helixtrans-54.4-31173-64.70000112.9D31 L32 P33 C67D31-C35 PolarHBondContact O-N 3.42Å; D31-C35 VanDerWaalsContact O-N 3.13Å; L32-C35 VanDerWaalsContact O-CB 3.23Å; L32-C35 WeakPolarHBondContact O-CB 3.04Å; L32-C35 PolarHBondContact O-N 3.41Å; P33-C35 VanDerWaalsContact C-N 3.25Å; P33-C35 PolarHBondContact O-N 3.22Å; C35-C67 HydrophobicContact CB-CB 3.59Å; C35-C67 WeakPolarHBondContact CB-SG 3.39Å; C35-C67 WeakPolarHBondContact SG-CB 2.98Å; C35-C67 CovalentContact SG-SG 2.03Å; C35-C67 PolarHBondContact SG-SG 2.87Å
36I64.5Low66.2Low10 Ų1088.3 Ų88.35%0.05144%0.435CS..Hα-helixtrans-97.9-34.5-177.8-20.4-177.8000110.3P33 N34 E38 K39 F40 I47 L51 Y64P33-I36 PolarHBondContact O-N 3.4Å; P33-I36 VanDerWaalsContact O-N 3.12Å; N34-I36 PolarHBondContact O-N 2.97Å; N34-I36 VanDerWaalsContact O-N 3.13Å; I36-E38 PolarHBondContact O-N 3.35Å; I36-K39 PolarHBondContact O-N 3.35Å; I36-F40 HydrophobicContact CG2-CD2 4.24Å; I36-F40 HydrophobicContact CG2-CE2 4.4Å; I36-F40 WeakPolarHBondContact O-CD2 3.22Å; I36-F40 PolarHBondContact O-N 3.28Å; I36-I47 HydrophobicContact CD1-CG2 4.35Å; I36-L51 HydrophobicContact CD1-CD1 4.12Å; I36-L51 HydrophobicContact CD1-CD2 3.56Å; I36-L51 HydrophobicContact CD1-CG 3.56Å; I36-Y64 HydrophobicContact CD1-CD2 3.89Å; I36-Y64 HydrophobicContact CD1-CE2 3.47Å; I36-Y64 VanDerWaalsContact CD1-CE2 3.47Å; I36-Y64 HydrophobicContact CG1-CD2 3.74Å; I36-Y64 HydrophobicContact CG1-CE2 3.67Å
37M64.3Low65.7Low76 Ų7689.4 Ų89.437%0.37444%0.439SS..Hα-helixtrans-67.4-30.4-178.3-72.8-156.8-73.700113.9P33 N34 K39 F40 R41P33-M37 HydrophobicContact CB-CE 4.47Å; P33-M37 WeakPolarHBondContact O-CG 3.33Å; P33-M37 PolarHBondContact O-N 2.99Å; N34-M37 PolarHBondContact O-N 2.9Å; N34-M37 WeakPolarHBondContact OD1-CE 3.31Å; M37-K39 VanDerWaalsContact C-N 3.26Å; M37-K39 PolarHBondContact O-N 3.45Å; M37-F40 CarbonylContact O-C 3.3Å; M37-F40 VanDerWaalsContact O-C 3.3Å; M37-F40 PolarHBondContact O-N 2.88Å; M37-F40 VanDerWaalsContact O-N 3.16Å; M37-R41 PolarHBondContact O-N 3.06Å; M37-R41 VanDerWaalsContact O-N 3.15Å
38E61.7Low65.2Low182 Ų18290.5 Ų90.585%0.8544%0.444SS*.THydrogen-bonded Turntrans-61.1-33.8178.5-88.7-166.9156.200113.1N34 I36N34-E38 PolarHBondContact O-N 3.46Å; I36-E38 PolarHBondContact O-N 3.35Å
39K57.1Low64.6Low104 Ų10494.1 Ų94.145%0.45246%0.463SS..THydrogen-bonded Turntrans-81.9-25.5176.8-152.9-175.4-174.6-171.90112.6I36 M37 D57I36-K39 PolarHBondContact O-N 3.35Å; M37-K39 VanDerWaalsContact C-N 3.26Å; M37-K39 PolarHBondContact O-N 3.45Å; K39-D57 IonicContact NZ-OD2 2.75Å
40F54.5Low64.3Low57 Ų5792.2 Ų92.225%0.2545%0.452CS..  trans-12552-172.8-57.9-74.1000112.1I36 M37 D42 K50I36-F40 HydrophobicContact CG2-CD2 4.24Å; I36-F40 HydrophobicContact CG2-CE2 4.4Å; I36-F40 WeakPolarHBondContact O-CD2 3.22Å; I36-F40 PolarHBondContact O-N 3.28Å; M37-F40 CarbonylContact O-C 3.3Å; M37-F40 VanDerWaalsContact O-C 3.3Å; M37-F40 PolarHBondContact O-N 2.88Å; M37-F40 VanDerWaalsContact O-N 3.16Å; F40-D42 PolarHBondContact O-N 3.11Å; F40-K50 HydrophobicContact CB-CD 4.22Å; F40-K50 HydrophobicContact CG-CD 4.35Å
41R55.8Low64.2Low212 Ų21288.6 Ų88.680%0.843%0.433SS*.  trans-54.21.7-177.3-169.7175.7164.6167.9-2115.9M37 Q43M37-R41 PolarHBondContact O-N 3.06Å; M37-R41 VanDerWaalsContact O-N 3.15Å; R41-Q43 VanDerWaalsContact C-N 3.33Å; R41-Q43 WeakPolarHBondContact O-CG 3.12Å; R41-Q43 PolarHBondContact O-N 3.23Å
42D51.8Low64.1Low137 Ų13792.3 Ų92.373%0.73345%0.451SS*.  trans-76.886.8166.9-73.3-23.8000110F40 T44F40-D42 PolarHBondContact O-N 3.11Å; D42-T44 PolarHBondContact O-N 2.86Å
43Q50Low64.1Low168 Ų16895.4 Ų95.479%0.78547%0.465SS*.THydrogen-bonded Turntrans-66.939.6-172-67-180-48.700115.8R41R41-Q43 VanDerWaalsContact C-N 3.33Å; R41-Q43 WeakPolarHBondContact O-CG 3.12Å; R41-Q43 PolarHBondContact O-N 3.23Å
44T55.1Low64.6Low138 Ų13893.8 Ų93.885%0.84746%0.455SS*.THydrogen-bonded Turntrans-133.9-1.2-178.115.20000116D42D42-T44 PolarHBondContact O-N 2.86Å
45K52.6Low64.7Low122 Ų12293.5 Ų93.553%0.5345%0.45SS..SBendtrans-107.6142.1174.9-82.8-172.4173.3-171.40111.6K50 E53K45-K50 HydrophobicContact CB-CD 4.48Å; K45-K50 HydrophobicContact CB-CG 4.24Å; K45-E53 IonicContact NZ-OE1 3.89Å; K45-E53 PolarHBondContact NZ-OE1 3.1Å
46D68.1Low65.1Low99 Ų99100.9 Ų100.953%0.52948%0.481SS..  trans-53.9140-179.5-157.2-54.2000111Q48 D49 K50D46-Q48 PolarHBondContact O-N 2.87Å; D46-Q48 PolarHBondContact OD1-N 3.39Å; D46-Q48 VanDerWaalsContact OD1-N 3.1Å; D46-D49 PolarHBondContact O-N 3.34Å; D46-D49 VanDerWaalsContact O-N 3.09Å; D46-K50 PolarHBondContact O-N 2.83Å
47I67.6Low66Low72 Ų72103.3 Ų103.337%0.36950%0.495SS..Hα-helixtrans-56.7-33.1178-70158.6000110.1P33 I36 K50 L51P33-I47 HydrophobicContact CB-CD1 3.75Å; P33-I47 HydrophobicContact CB-CG1 4.44Å; P33-I47 HydrophobicContact CG-CD1 4.13Å; I36-I47 HydrophobicContact CD1-CG2 4.35Å; I47-K50 PolarHBondContact O-N 3.39Å; I47-L51 HydrophobicContact CG2-CD1 3.83Å; I47-L51 HydrophobicContact CG2-CG 4.49Å; I47-L51 WeakPolarHBondContact O-CB 3.44Å; I47-L51 WeakPolarHBondContact O-CG 3.41Å; I47-L51 PolarHBondContact O-N 3.3Å
48Q66.2Low66.8Low143 Ų143103 Ų10367%0.66850%0.504SS*.Hα-helixtrans-64.4-47175.3-82.7-170.7-22.900113D46 K50 L51 M52D46-Q48 PolarHBondContact O-N 2.87Å; D46-Q48 PolarHBondContact OD1-N 3.39Å; D46-Q48 VanDerWaalsContact OD1-N 3.1Å; Q48-K50 PolarHBondContact O-N 3.25Å; Q48-L51 WeakPolarHBondContact O-CB 3.37Å; Q48-L51 PolarHBondContact O-N 3.12Å; Q48-M52 WeakPolarHBondContact O-CG 3.23Å; Q48-M52 PolarHBondContact O-N 3.13Å
49D70.1Confident67.9Low79 Ų79100.4 Ų100.442%0.42249%0.492SS..Hα-helixtrans-62.8-37.6177.9-74.6-14.4000110.9D46 M52 E53D46-D49 PolarHBondContact O-N 3.34Å; D46-D49 VanDerWaalsContact O-N 3.09Å; D49-M52 WeakPolarHBondContact O-CB 3.39Å; D49-M52 PolarHBondContact O-N 3.26Å; D49-E53 PolarHBondContact O-N 2.75Å
50K68.9Low69.1Low33 Ų3395.8 Ų95.814%0.14347%0.473CS..Hα-helixtrans-70.5-36.7176.6-69.2-66.1174.7-170.30113.2F40 K45 D46 I47 Q48 M52 E53 C54F40-K50 HydrophobicContact CB-CD 4.22Å; F40-K50 HydrophobicContact CG-CD 4.35Å; K45-K50 HydrophobicContact CB-CD 4.48Å; K45-K50 HydrophobicContact CB-CG 4.24Å; D46-K50 PolarHBondContact O-N 2.83Å; I47-K50 PolarHBondContact O-N 3.39Å; Q48-K50 PolarHBondContact O-N 3.25Å; K50-M52 VanDerWaalsContact C-N 3.28Å; K50-M52 PolarHBondContact O-N 3.43Å; K50-E53 WeakPolarHBondContact CD-OE2 3.45Å; K50-E53 IonicContact NZ-OE1 2.74Å; K50-E53 IonicContact NZ-OE2 3.81Å; K50-E53 PolarHBondContact NZ-OE2 3.26Å; K50-E53 PolarHBondContact O-N 2.7Å; K50-C54 VanDerWaalsContact O-CB 3.24Å; K50-C54 WeakPolarHBondContact O-CB 3.44Å; K50-C54 PolarHBondContact O-N 3.07Å
51L72.8Confident70.4Confident33 Ų3395.6 Ų95.617%0.17347%0.472CS..Hα-helixtrans-60.7-40.5168.9-86.4159.2000110.7I36 I47 Q48 C54 K55 Y64 F91I36-L51 HydrophobicContact CD1-CD1 4.12Å; I36-L51 HydrophobicContact CD1-CD2 3.56Å; I36-L51 HydrophobicContact CD1-CG 3.56Å; I47-L51 HydrophobicContact CG2-CD1 3.83Å; I47-L51 HydrophobicContact CG2-CG 4.49Å; I47-L51 WeakPolarHBondContact O-CB 3.44Å; I47-L51 WeakPolarHBondContact O-CG 3.41Å; I47-L51 PolarHBondContact O-N 3.3Å; Q48-L51 WeakPolarHBondContact O-CB 3.37Å; Q48-L51 PolarHBondContact O-N 3.12Å; L51-C54 CarbonylContact O-C 3.54Å; L51-C54 PolarHBondContact O-N 3.15Å; L51-K55 WeakPolarHBondContact O-CG 3.01Å; L51-K55 PolarHBondContact O-N 3.16Å; L51-Y64 HydrophobicContact CD2-CE1 3.97Å; L51-Y64 HydrophobicContact CD2-CE2 4.04Å; L51-F91 HydrophobicContact CB-CE2 3.89Å; L51-F91 HydrophobicContact CD2-CD2 3.72Å; L51-F91 HydrophobicContact CD2-CE2 3.24Å; L51-F91 HydrophobicContact CD2-CZ 3.85Å; L51-F91 HydrophobicContact CG-CE2 4.18Å; L51-F91 VanDerWaalsContact O-CE2 3.29Å; L51-F91 WeakPolarHBondContact O-CE2 3.46Å
52M75.2Confident71.7Confident123 Ų12390 Ų9061%0.60646%0.457SS*.Hα-helixtrans-65.6-45.1176.2-67.7-143-64.500112.8Q48 D49 K50 C54 K55Q48-M52 WeakPolarHBondContact O-CG 3.23Å; Q48-M52 PolarHBondContact O-N 3.13Å; D49-M52 WeakPolarHBondContact O-CB 3.39Å; D49-M52 PolarHBondContact O-N 3.26Å; K50-M52 VanDerWaalsContact C-N 3.28Å; K50-M52 PolarHBondContact O-N 3.43Å; M52-C54 VanDerWaalsContact C-N 3.29Å; M52-C54 PolarHBondContact O-N 3.43Å; M52-K55 WeakPolarHBondContact O-CB 3.07Å; M52-K55 PolarHBondContact O-N 3.46Å; M52-K55 VanDerWaalsContact O-N 3.09Å
53E74.9Confident73.1Confident81 Ų8188.8 Ų88.838%0.37945%0.447SS..Hα-helixtrans-57.9-44172.8-74.4175.6-172.600110.6K45 D49 K50 K55 E56K45-E53 IonicContact NZ-OE1 3.89Å; K45-E53 PolarHBondContact NZ-OE1 3.1Å; D49-E53 PolarHBondContact O-N 2.75Å; K50-E53 WeakPolarHBondContact CD-OE2 3.45Å; K50-E53 IonicContact NZ-OE1 2.74Å; K50-E53 IonicContact NZ-OE2 3.81Å; K50-E53 PolarHBondContact NZ-OE2 3.26Å; K50-E53 PolarHBondContact O-N 2.7Å; E53-K55 VanDerWaalsContact C-N 3.29Å; E53-K55 PolarHBondContact O-N 2.91Å; E53-E56 PolarHBondContact O-N 3.18Å
54C78.4Confident74.5Confident1 Ų182.1 Ų82.11%0.00741%0.414CS..Hα-helixtrans-67.3-26.2177.2-165.60000113K50 L51 M52 E56 D57 C60 F91K50-C54 VanDerWaalsContact O-CB 3.24Å; K50-C54 WeakPolarHBondContact O-CB 3.44Å; K50-C54 PolarHBondContact O-N 3.07Å; L51-C54 CarbonylContact O-C 3.54Å; L51-C54 PolarHBondContact O-N 3.15Å; M52-C54 VanDerWaalsContact C-N 3.29Å; M52-C54 PolarHBondContact O-N 3.43Å; C54-E56 PolarHBondContact O-N 2.83Å; C54-D57 PolarHBondContact O-N 3.36Å; C54-C60 VanDerWaalsContact CA-SG 3.57Å; C54-C60 HydrophobicContact CB-CB 4.03Å; C54-C60 WeakPolarHBondContact CB-SG 3.48Å; C54-C60 WeakPolarHBondContact SG-CB 3.25Å; C54-C60 PolarHBondContact SG-O 3.36Å; C54-C60 CovalentContact SG-SG 2.03Å; C54-C60 PolarHBondContact SG-SG 3.3Å; C54-F91 HydrophobicContact CB-CZ 4.39Å
55K75.9Confident75.8Confident64 Ų6477 Ų7728%0.27838%0.382SS..Hα-helixtrans-65.2-27.6175-82.9-163.4172.1-1530112.2L51 M52 E53 K61 T90 F91L51-K55 WeakPolarHBondContact O-CG 3.01Å; L51-K55 PolarHBondContact O-N 3.16Å; M52-K55 WeakPolarHBondContact O-CB 3.07Å; M52-K55 PolarHBondContact O-N 3.46Å; M52-K55 VanDerWaalsContact O-N 3.09Å; E53-K55 VanDerWaalsContact C-N 3.29Å; E53-K55 PolarHBondContact O-N 2.91Å; K55-K61 VanDerWaalsContact O-CD 3.29Å; K55-K61 WeakPolarHBondContact O-CD 3.42Å; K55-K61 WeakPolarHBondContact O-CE 3.18Å; K55-K61 PolarHBondContact O-NZ 3.06Å; K55-T90 PolarHBondContact NZ-O 3.38Å; K55-T90 VanDerWaalsContact NZ-O 3.1Å; K55-F91 HydrophobicContact CB-CE2 4.37Å; K55-F91 HydrophobicContact CB-CZ 4.32Å; K55-F91 HydrophobicContact CD-CD2 4.09Å; K55-F91 HydrophobicContact CD-CE2 4.06Å; K55-F91 WeakPolarHBondContact CE-O 3.37Å; K55-F91 HydrophobicContact CG-CD2 3.66Å; K55-F91 HydrophobicContact CG-CE1 4.15Å; K55-F91 HydrophobicContact CG-CE2 3.17Å; K55-F91 HydrophobicContact CG-CG 4.3Å; K55-F91 HydrophobicContact CG-CZ 3.46Å; K55-F91 VanDerWaalsContact CG-CZ 3.46Å; K55-F91 PolarHBondContact NZ-O 3.08Å
56E80.7Confident77.3Confident184 Ų18475.5 Ų75.586%0.8638%0.379SS*.Hα-helixtrans-87.9-21.2-178.8-57.6-134.5153.200112.5E53 C54E53-E56 PolarHBondContact O-N 3.18Å; C54-E56 PolarHBondContact O-N 2.83Å
57D83.9Confident78Confident62 Ų6272.5 Ų72.533%0.33237%0.365SS..  trans-93.4113.4176.3178.4-20.2000111.1K39 C54 E59 C60 K61K39-D57 IonicContact NZ-OD2 2.75Å; C54-D57 PolarHBondContact O-N 3.36Å; D57-E59 VanDerWaalsContact C-N 3.33Å; D57-E59 PolarHBondContact O-N 3.37Å; D57-E59 WeakPolarHBondContact OD1-CA 3.25Å; D57-E59 WeakPolarHBondContact OD1-CB 3.42Å; D57-E59 PolarHBondContact OD1-N 3.46Å; D57-C60 HydrophobicContact CB-CB 3.68Å; D57-C60 PolarHBondContact O-N 2.03Å; D57-C60 PolarHBondContact OD1-N 3.31Å; D57-K61 PolarHBondContact O-N 2.02Å
58A82.4Confident78.8Confident70 Ų7069.1 Ų69.158%0.57935%0.347SS*.Hα-helixtrans-61-37.6-179.400000113.5I62A58-I62 VanDerWaalsContact O-CG1 3.32Å; A58-I62 WeakPolarHBondContact O-CG1 3.03Å; A58-I62 PolarHBondContact O-N 3.46Å; A58-I62 VanDerWaalsContact O-N 3.08Å
59E83.4Confident79.6Confident127 Ų12767.6 Ų67.659%0.59334%0.34SS*.Hα-helixtrans-70.9-41.1178.2-173178.6-178.800110.3D57 I62 Q63D57-E59 VanDerWaalsContact C-N 3.33Å; D57-E59 PolarHBondContact O-N 3.37Å; D57-E59 WeakPolarHBondContact OD1-CA 3.25Å; D57-E59 WeakPolarHBondContact OD1-CB 3.42Å; D57-E59 PolarHBondContact OD1-N 3.46Å; E59-I62 PolarHBondContact O-N 3.38Å; E59-Q63 WeakPolarHBondContact O-CG 3.24Å; E59-Q63 PolarHBondContact O-N 2.96Å
60C82.6Confident80.3Confident6 Ų667.7 Ų67.74%0.04135%0.347CS..Hα-helixtrans-60.4-46.8174.1-165.90000111.7C54 D57 I62 Q63 Y64C54-C60 VanDerWaalsContact CA-SG 3.57Å; C54-C60 HydrophobicContact CB-CB 4.03Å; C54-C60 WeakPolarHBondContact CB-SG 3.48Å; C54-C60 WeakPolarHBondContact SG-CB 3.25Å; C54-C60 PolarHBondContact SG-O 3.36Å; C54-C60 CovalentContact SG-SG 2.03Å; C54-C60 PolarHBondContact SG-SG 3.3Å; D57-C60 HydrophobicContact CB-CB 3.68Å; D57-C60 PolarHBondContact O-N 2.03Å; D57-C60 PolarHBondContact OD1-N 3.31Å; C60-I62 PolarHBondContact O-N 3.37Å; C60-Q63 PolarHBondContact O-N 3.19Å; C60-Y64 WeakPolarHBondContact O-CB 3.08Å; C60-Y64 PolarHBondContact O-N 3.01Å
61K81.6Confident81Confident53 Ų5369 Ų6923%0.2335%0.353CS..Hα-helixtrans-52.6-50.4173.5-103169.4165.4168.90111.9K55 D57 Y64 I65 F91K55-K61 VanDerWaalsContact O-CD 3.29Å; K55-K61 WeakPolarHBondContact O-CD 3.42Å; K55-K61 WeakPolarHBondContact O-CE 3.18Å; K55-K61 PolarHBondContact O-NZ 3.06Å; D57-K61 PolarHBondContact O-N 2.02Å; K61-Y64 PolarHBondContact O-N 3.36Å; K61-I65 WeakPolarHBondContact O-CD1 3.46Å; K61-I65 WeakPolarHBondContact O-CG1 3.14Å; K61-I65 PolarHBondContact O-N 3.31Å; K61-F91 HydrophobicContact CG-CD1 4.47Å; K61-F91 HydrophobicContact CG-CE1 3.66Å; K61-F91 HydrophobicContact CG-CZ 4.35Å
62I84Confident81.5Confident96 Ų9667.8 Ų67.849%0.49235%0.347SS..Hα-helixtrans-61.9-46.8-178.8-70.4167000111.2A58 E59 C60 Y64 I65 I66A58-I62 VanDerWaalsContact O-CG1 3.32Å; A58-I62 WeakPolarHBondContact O-CG1 3.03Å; A58-I62 PolarHBondContact O-N 3.46Å; A58-I62 VanDerWaalsContact O-N 3.08Å; E59-I62 PolarHBondContact O-N 3.38Å; C60-I62 PolarHBondContact O-N 3.37Å; I62-Y64 VanDerWaalsContact C-N 3.33Å; I62-Y64 PolarHBondContact O-N 2.93Å; I62-I65 PolarHBondContact O-N 3.13Å; I62-I66 HydrophobicContact CG2-CD1 3.74Å; I62-I66 HydrophobicContact CG2-CG1 4.43Å; I62-I66 VanDerWaalsContact O-CG1 3.32Å; I62-I66 WeakPolarHBondContact O-CG1 3.38Å; I62-I66 PolarHBondContact O-N 3.25Å
63Q81.2Confident81.9Confident110 Ų11065.5 Ų65.551%0.51435%0.347SS..Hα-helixtrans-61.6-42.7178.6-70.1-66.1-22.600111.7E59 C60 I66 C67E59-Q63 WeakPolarHBondContact O-CG 3.24Å; E59-Q63 PolarHBondContact O-N 2.96Å; C60-Q63 PolarHBondContact O-N 3.19Å; Q63-I66 PolarHBondContact O-N 2.97Å; Q63-C67 PolarHBondContact O-N 3.22Å
64Y79.3Confident82.1Confident28 Ų2864.5 Ų64.511%0.1135%0.349CS..Hα-helixtrans-59.6-48.7175.4-177.9-108.6000111.5L32 I36 L51 C60 K61 I62 I66 C67 V68 L88 F91L32-Y64 HydrophobicContact CD2-CE2 4.45Å; I36-Y64 HydrophobicContact CD1-CD2 3.89Å; I36-Y64 HydrophobicContact CD1-CE2 3.47Å; I36-Y64 VanDerWaalsContact CD1-CE2 3.47Å; I36-Y64 HydrophobicContact CG1-CD2 3.74Å; I36-Y64 HydrophobicContact CG1-CE2 3.67Å; L51-Y64 HydrophobicContact CD2-CE1 3.97Å; L51-Y64 HydrophobicContact CD2-CE2 4.04Å; C60-Y64 WeakPolarHBondContact O-CB 3.08Å; C60-Y64 PolarHBondContact O-N 3.01Å; K61-Y64 PolarHBondContact O-N 3.36Å; I62-Y64 VanDerWaalsContact C-N 3.33Å; I62-Y64 PolarHBondContact O-N 2.93Å; Y64-I66 PolarHBondContact O-N 3.44Å; Y64-C67 PolarHBondContact O-N 2.7Å; Y64-V68 HydrophobicContact CD1-CG2 4.03Å; Y64-V68 HydrophobicContact CD2-CG2 4.1Å; Y64-V68 HydrophobicContact CE1-CG2 3.68Å; Y64-V68 HydrophobicContact CE2-CG2 3.74Å; Y64-V68 HydrophobicContact CG-CG2 4.24Å; Y64-V68 WeakPolarHBondContact O-CG2 3.34Å; Y64-V68 PolarHBondContact O-N 2.94Å; Y64-L88 HydrophobicContact CD1-CD1 4Å; Y64-L88 HydrophobicContact CE1-CD1 3.8Å; Y64-F91 AromaticContact CD1-CD1 3.89Å; Y64-F91 HydrophobicContact CD1-CD1 3.89Å; Y64-F91 AromaticContact CD1-CE1 3.72Å; Y64-F91 HydrophobicContact CD1-CE1 3.72Å; Y64-F91 HydrophobicContact CD1-CZ 4.23Å; Y64-F91 HydrophobicContact CE1-CD1 4.1Å; Y64-F91 HydrophobicContact CE1-CE1 4.25Å; Y64-F91 HydrophobicContact CE1-CG 4.28Å
65I82.5Confident82.2Confident31 Ų3164.5 Ų64.516%0.15935%0.349CS..Hα-helixtrans-56.7-48.7177.3-64.9160.4000111K61 I62 C67 V68 Q69 L88 L92K61-I65 WeakPolarHBondContact O-CD1 3.46Å; K61-I65 WeakPolarHBondContact O-CG1 3.14Å; K61-I65 PolarHBondContact O-N 3.31Å; I62-I65 PolarHBondContact O-N 3.13Å; I65-C67 VanDerWaalsContact C-N 3.3Å; I65-C67 PolarHBondContact O-N 3.11Å; I65-V68 PolarHBondContact O-N 2.94Å; I65-Q69 HydrophobicContact CG2-CG 4.15Å; I65-Q69 VanDerWaalsContact O-CB 3.31Å; I65-Q69 WeakPolarHBondContact O-CB 3.4Å; I65-Q69 VanDerWaalsContact O-CG 3.29Å; I65-Q69 WeakPolarHBondContact O-CG 3.26Å; I65-Q69 PolarHBondContact O-N 3.39Å; I65-L88 HydrophobicContact CG1-CD1 4.23Å; I65-L92 HydrophobicContact CD1-CD1 4Å; I65-L92 HydrophobicContact CD1-CD2 3.27Å; I65-L92 HydrophobicContact CD1-CG 4.25Å; I65-L92 HydrophobicContact CG1-CD1 4.14Å; I65-L92 HydrophobicContact CG1-CD2 3.67Å; I65-L92 HydrophobicContact CG1-CG 4.39Å
66I84Confident82.4Confident91 Ų9167.8 Ų67.847%0.46737%0.37SS..Hα-helixtrans-60.5-43.5-178.9-68.6168.2000110.1I62 Q63 Y64 Q69 S70I62-I66 HydrophobicContact CG2-CD1 3.74Å; I62-I66 HydrophobicContact CG2-CG1 4.43Å; I62-I66 VanDerWaalsContact O-CG1 3.32Å; I62-I66 WeakPolarHBondContact O-CG1 3.38Å; I62-I66 PolarHBondContact O-N 3.25Å; Q63-I66 PolarHBondContact O-N 2.97Å; Y64-I66 PolarHBondContact O-N 3.44Å; I66-Q69 PolarHBondContact O-N 3.48Å; I66-S70 WeakPolarHBondContact O-CB 3.02Å; I66-S70 PolarHBondContact O-N 3.21Å
67C82.8Confident82.5Confident35 Ų3561.1 Ų61.124%0.23634%0.34CS..Hα-helixtrans-64.1-49.5178.4-162.10000111.6C35 Q63 Y64 I65 Q69 S70 K71C35-C67 HydrophobicContact CB-CB 3.59Å; C35-C67 WeakPolarHBondContact CB-SG 3.39Å; C35-C67 WeakPolarHBondContact SG-CB 2.98Å; C35-C67 CovalentContact SG-SG 2.03Å; C35-C67 PolarHBondContact SG-SG 2.87Å; Q63-C67 PolarHBondContact O-N 3.22Å; Y64-C67 PolarHBondContact O-N 2.7Å; I65-C67 VanDerWaalsContact C-N 3.3Å; I65-C67 PolarHBondContact O-N 3.11Å; C67-Q69 VanDerWaalsContact C-N 3.34Å; C67-Q69 PolarHBondContact O-N 3.38Å; C67-S70 PolarHBondContact O-N 2.74Å; C67-K71 WeakPolarHBondContact O-CB 3.39Å; C67-K71 VanDerWaalsContact O-CG 3.24Å; C67-K71 WeakPolarHBondContact O-CG 3.34Å; C67-K71 PolarHBondContact O-N 2.87Å
68V83.7Confident82.5Confident1 Ų162.9 Ų62.91%0.00635%0.349CS..Hα-helixtrans-59.1-46.1178178.50000110.7L32 Y64 I65 K71 L72 V84 L88L32-V68 HydrophobicContact CD2-CB 4.1Å; L32-V68 HydrophobicContact CD2-CG1 4.03Å; L32-V68 HydrophobicContact CD2-CG2 3.34Å; Y64-V68 HydrophobicContact CD1-CG2 4.03Å; Y64-V68 HydrophobicContact CD2-CG2 4.1Å; Y64-V68 HydrophobicContact CE1-CG2 3.68Å; Y64-V68 HydrophobicContact CE2-CG2 3.74Å; Y64-V68 HydrophobicContact CG-CG2 4.24Å; Y64-V68 WeakPolarHBondContact O-CG2 3.34Å; Y64-V68 PolarHBondContact O-N 2.94Å; I65-V68 PolarHBondContact O-N 2.94Å; V68-K71 PolarHBondContact O-N 3.34Å; V68-L72 HydrophobicContact CG1-CD1 3.78Å; V68-L72 HydrophobicContact CG1-CG 4.24Å; V68-L72 WeakPolarHBondContact O-CB 3.03Å; V68-L72 VanDerWaalsContact O-CG 3.25Å; V68-L72 WeakPolarHBondContact O-CG 3.44Å; V68-L72 PolarHBondContact O-N 3.36Å; V68-V84 HydrophobicContact CG1-CG1 3.91Å; V68-L88 HydrophobicContact CB-CD1 4.18Å; V68-L88 HydrophobicContact CB-CD2 4.28Å; V68-L88 HydrophobicContact CG1-CD1 4.24Å; V68-L88 HydrophobicContact CG1-CD2 3.93Å; V68-L88 HydrophobicContact CG1-CG 4.46Å; V68-L88 HydrophobicContact CG2-CD1 4.13Å
69Q84.1Confident82.5Confident112 Ų11265.2 Ų65.252%0.52336%0.356SS..Hα-helixtrans-65-42.8179.2-74.7-176.4-11.400112.6I65 I66 C67 K71 L72 A73 L88I65-Q69 HydrophobicContact CG2-CG 4.15Å; I65-Q69 VanDerWaalsContact O-CB 3.31Å; I65-Q69 WeakPolarHBondContact O-CB 3.4Å; I65-Q69 VanDerWaalsContact O-CG 3.29Å; I65-Q69 WeakPolarHBondContact O-CG 3.26Å; I65-Q69 PolarHBondContact O-N 3.39Å; I66-Q69 PolarHBondContact O-N 3.48Å; C67-Q69 VanDerWaalsContact C-N 3.34Å; C67-Q69 PolarHBondContact O-N 3.38Å; Q69-K71 VanDerWaalsContact C-N 3.32Å; Q69-K71 PolarHBondContact O-N 3.09Å; Q69-L72 PolarHBondContact O-N 3.29Å; Q69-A73 PolarHBondContact O-N 3.37Å; Q69-L88 HydrophobicContact CG-CD2 4.37Å
70S84.6Confident82.3Confident81 Ų8160.3 Ų60.357%0.56633%0.334SS*.Hα-helixtrans-59-44.9175.7178.50000111.3I66 C67 A73I66-S70 WeakPolarHBondContact O-CB 3.02Å; I66-S70 PolarHBondContact O-N 3.21Å; C67-S70 PolarHBondContact O-N 2.74Å; S70-A73 WeakPolarHBondContact O-CB 3.21Å; S70-A73 PolarHBondContact O-N 2.91Å
71K82.6Confident82.3Confident61 Ų6162 Ų6227%0.26534%0.34SS..Hα-helixtrans-70.2-40.4179.1-66.2-74.5-173.6173.40111.5M28 D31 C67 V68 Q69 A73 S74M28-K71 HydrophobicContact CB-CB 4.37Å; M28-K71 HydrophobicContact CG-CB 3.38Å; M28-K71 HydrophobicContact CG-CG 4.43Å; D31-K71 HydrophobicContact CB-CD 4.4Å; D31-K71 IonicContact OD2-NZ 3.24Å; D31-K71 PolarHBondContact OD2-NZ 3.35Å; C67-K71 WeakPolarHBondContact O-CB 3.39Å; C67-K71 VanDerWaalsContact O-CG 3.24Å; C67-K71 WeakPolarHBondContact O-CG 3.34Å; C67-K71 PolarHBondContact O-N 2.87Å; V68-K71 PolarHBondContact O-N 3.34Å; Q69-K71 VanDerWaalsContact C-N 3.32Å; Q69-K71 PolarHBondContact O-N 3.09Å; K71-A73 VanDerWaalsContact C-N 3.28Å; K71-A73 PolarHBondContact O-N 3.14Å; K71-S74 PolarHBondContact O-N 3Å; K71-S74 VanDerWaalsContact O-N 3.11Å; K71-S74 PolarHBondContact O-OG 2.96Å
72L84Confident82.5Confident7 Ų765.4 Ų65.44%0.03736%0.355CS..Hα-helixtrans-59.7-35.9171.6-74.6169.5000112.5M28 V68 Q69 S74 C75 K81 V84 Q85M28-L72 HydrophobicContact CE-CD2 3.81Å; M28-L72 HydrophobicContact CE-CG 4.44Å; M28-L72 HydrophobicContact SD-CD2 4.08Å; V68-L72 HydrophobicContact CG1-CD1 3.78Å; V68-L72 HydrophobicContact CG1-CG 4.24Å; V68-L72 WeakPolarHBondContact O-CB 3.03Å; V68-L72 VanDerWaalsContact O-CG 3.25Å; V68-L72 WeakPolarHBondContact O-CG 3.44Å; V68-L72 PolarHBondContact O-N 3.36Å; Q69-L72 PolarHBondContact O-N 3.29Å; L72-S74 PolarHBondContact O-N 2.94Å; L72-C75 PolarHBondContact O-N 2.88Å; L72-C75 VanDerWaalsContact O-N 3.08Å; L72-K81 HydrophobicContact CD2-CB 4.39Å; L72-K81 HydrophobicContact CD2-CG 3.56Å; L72-K81 WeakPolarHBondContact O-CE 3.47Å; L72-K81 PolarHBondContact O-NZ 2.94Å; L72-V84 HydrophobicContact CD1-CG1 4.31Å; L72-V84 HydrophobicContact CD2-CB 4.03Å; L72-V84 HydrophobicContact CD2-CG1 3.94Å; L72-V84 HydrophobicContact CG-CG1 4.33Å; L72-Q85 HydrophobicContact CD1-CG 3.7Å
73A82.5Confident82.5Confident74 Ų7463.8 Ų63.861%0.61235%0.351SS*.Hα-helixtrans-61.4-25.2177.800000112.9Q69 S70 K71Q69-A73 PolarHBondContact O-N 3.37Å; S70-A73 WeakPolarHBondContact O-CB 3.21Å; S70-A73 PolarHBondContact O-N 2.91Å; K71-A73 VanDerWaalsContact C-N 3.28Å; K71-A73 PolarHBondContact O-N 3.14Å
74S78.9Confident82.7Confident61 Ų6159.1 Ų59.143%0.42733%0.33SS..THydrogen-bonded Turntrans-88.4-0.5177.469.70000115.1K71 L72K71-S74 PolarHBondContact O-N 3Å; K71-S74 VanDerWaalsContact O-N 3.11Å; K71-S74 PolarHBondContact O-OG 2.96Å; L72-S74 PolarHBondContact O-N 2.94Å
75C81Confident82.9Confident0 Ų061.8 Ų61.80%034%0.344CS..  trans-115.3121.1-178.5172.80000111.2C25 M28 L72 K81C25-C75 HydrophobicContact CB-CB 3.95Å; C25-C75 WeakPolarHBondContact CB-SG 3.44Å; C25-C75 WeakPolarHBondContact SG-CA 3.42Å; C25-C75 WeakPolarHBondContact SG-CB 3.38Å; C25-C75 CovalentContact SG-SG 2.02Å; C25-C75 PolarHBondContact SG-SG 3.41Å; M28-C75 HydrophobicContact CE-CB 3.04Å; M28-C75 VanDerWaalsContact CE-SG 3.54Å; L72-C75 PolarHBondContact O-N 2.88Å; L72-C75 VanDerWaalsContact O-N 3.08Å; C75-K81 VanDerWaalsContact O-CD 3.25Å; C75-K81 WeakPolarHBondContact O-CD 3.44Å; C75-K81 WeakPolarHBondContact O-CE 3.35Å; C75-K81 PolarHBondContact O-NZ 3.35Å
76D80.5Confident83.1Confident134 Ų13466.2 Ų66.272%0.71736%0.363SS*.  trans-98.9-1.3-179.3-61.3-37.3000113.1D78D76-D78 PolarHBondContact O-N 2.98Å
77D83.1Confident83Confident44 Ų4468.3 Ų68.324%0.23537%0.371CS..  trans-86.5102.9179-166.9-42.6000111.4C25 V79 I80 K81C25-D77 HydrophobicContact CB-CB 4.48Å; C25-D77 VanDerWaalsContact SG-CB 3.57Å; D77-V79 PolarHBondContact O-N 2.89Å; D77-V79 WeakPolarHBondContact OD1-CA 3.29Å; D77-V79 WeakPolarHBondContact OD1-CB 3.4Å; D77-V79 PolarHBondContact OD1-N 3.42Å; D77-I80 HydrophobicContact CB-CD1 4.37Å; D77-I80 PolarHBondContact O-N 2.91Å; D77-I80 VanDerWaalsContact O-N 3.11Å; D77-I80 PolarHBondContact OD1-N 2.84Å; D77-K81 WeakPolarHBondContact O-CB 3.26Å; D77-K81 PolarHBondContact O-N 2.93Å
78D83.2Confident82.9Confident98 Ų9867.3 Ų67.352%0.52436%0.364SS..Hα-helixtrans-61.2-24.6179.4-81.6-23.1000114.4D76 I80 K82D76-D78 PolarHBondContact O-N 2.98Å; D78-I80 VanDerWaalsContact C-N 3.29Å; D78-K82 WeakPolarHBondContact O-CB 3.48Å; D78-K82 WeakPolarHBondContact O-CG 3.32Å; D78-K82 PolarHBondContact O-N 3.5Å; D78-K82 VanDerWaalsContact O-N 3.1Å
79V83.2Confident82.9Confident120 Ų12073.7 Ų73.773%0.72739%0.391SS*.Hα-helixtrans-67.3-35.8176.9-176.40000110D77 P83D77-V79 PolarHBondContact O-N 2.89Å; D77-V79 WeakPolarHBondContact OD1-CA 3.29Å; D77-V79 WeakPolarHBondContact OD1-CB 3.4Å; D77-V79 PolarHBondContact OD1-N 3.42Å; V79-P83 WeakPolarHBondContact O-CD 3.36Å; V79-P83 WeakPolarHBondContact O-CG 3.41Å
80I79.5Confident82.9Confident24 Ų2472.5 Ų72.512%0.12339%0.392CS..Hα-helixtrans-84.1-40.5175.2-62.6173.1000110.8F22 C25 V26 L29 D77 D78 P83 V84F22-I80 HydrophobicContact CD2-CD1 3.97Å; F22-I80 HydrophobicContact CE2-CD1 3.77Å; C25-I80 HydrophobicContact CB-CB 4.39Å; C25-I80 HydrophobicContact CB-CD1 3.53Å; C25-I80 HydrophobicContact CB-CG2 4.26Å; V26-I80 HydrophobicContact CG2-CD1 4.35Å; L29-I80 HydrophobicContact CD1-CG2 3.94Å; L29-I80 HydrophobicContact CD2-CG2 4.14Å; L29-I80 HydrophobicContact CG-CG2 4.08Å; D77-I80 HydrophobicContact CB-CD1 4.37Å; D77-I80 PolarHBondContact O-N 2.91Å; D77-I80 VanDerWaalsContact O-N 3.11Å; D77-I80 PolarHBondContact OD1-N 2.84Å; D78-I80 VanDerWaalsContact C-N 3.29Å; I80-P83 WeakPolarHBondContact O-CD 3.48Å; I80-V84 WeakPolarHBondContact O-CG2 3.35Å
81K82.3Confident82.4Confident40 Ų4069.3 Ų69.317%0.17437%0.368CS..Hα-helixtrans-62.8-46.6-174.5-128.7174173.4158.80113.2L72 C75 D77 V84 Q85L72-K81 HydrophobicContact CD2-CB 4.39Å; L72-K81 HydrophobicContact CD2-CG 3.56Å; L72-K81 WeakPolarHBondContact O-CE 3.47Å; L72-K81 PolarHBondContact O-NZ 2.94Å; C75-K81 VanDerWaalsContact O-CD 3.25Å; C75-K81 WeakPolarHBondContact O-CD 3.44Å; C75-K81 WeakPolarHBondContact O-CE 3.35Å; C75-K81 PolarHBondContact O-NZ 3.35Å; D77-K81 WeakPolarHBondContact O-CB 3.26Å; D77-K81 PolarHBondContact O-N 2.93Å; K81-V84 PolarHBondContact O-N 3.27Å; K81-Q85 WeakPolarHBondContact O-CG 3.25Å; K81-Q85 PolarHBondContact O-N 2.84Å
82K84.8Confident82Confident126 Ų12670.1 Ų70.155%0.54838%0.375SS..Hα-helixtrans-62.7-51.1-173-79.2178.2179.4176.30113.2D78 V84 Q85 E86D78-K82 WeakPolarHBondContact O-CB 3.48Å; D78-K82 WeakPolarHBondContact O-CG 3.32Å; D78-K82 PolarHBondContact O-N 3.5Å; D78-K82 VanDerWaalsContact O-N 3.1Å; K82-V84 VanDerWaalsContact C-N 3.28Å; K82-V84 PolarHBondContact O-N 2.96Å; K82-Q85 PolarHBondContact O-N 2.86Å; K82-Q85 VanDerWaalsContact O-N 3.15Å; K82-E86 PolarHBondContact O-N 3.37Å
83P85.3Confident81.5Confident62 Ų6279.1 Ų79.140%0.40342%0.416SS..Hα-helixtrans-57.1-40.6177.8-25.633.6000113.1V79 I80 E86 Q87V79-P83 WeakPolarHBondContact O-CD 3.36Å; V79-P83 WeakPolarHBondContact O-CG 3.41Å; I80-P83 WeakPolarHBondContact O-CD 3.48Å; P83-E86 PolarHBondContact O-N 2.99Å; P83-Q87 WeakPolarHBondContact O-CG 3.35Å; P83-Q87 PolarHBondContact O-N 3.42Å
84V84.3Confident81.4Confident12 Ų1279.4 Ų79.47%0.07341%0.406CS..Hα-helixtrans-67.3-40.8178.91790000111.1L29 L32 V68 L72 I80 K81 K82 E86 Q87 L88L29-V84 HydrophobicContact CD2-CG2 3.53Å; L32-V84 HydrophobicContact CD1-CG1 3.98Å; V68-V84 HydrophobicContact CG1-CG1 3.91Å; L72-V84 HydrophobicContact CD1-CG1 4.31Å; L72-V84 HydrophobicContact CD2-CB 4.03Å; L72-V84 HydrophobicContact CD2-CG1 3.94Å; L72-V84 HydrophobicContact CG-CG1 4.33Å; I80-V84 WeakPolarHBondContact O-CG2 3.35Å; K81-V84 PolarHBondContact O-N 3.27Å; K82-V84 VanDerWaalsContact C-N 3.28Å; K82-V84 PolarHBondContact O-N 2.96Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 3.36Å; V84-Q87 PolarHBondContact O-N 3.38Å; V84-L88 WeakPolarHBondContact O-CB 3.4Å; V84-L88 PolarHBondContact O-N 3.39Å
85Q84.7Confident81.6Confident84 Ų8480.3 Ų80.339%0.39341%0.405SS..Hα-helixtrans-63.7-37.7173.9-76.1-177.4-18.800112.5L72 K81 K82 L88 K89L72-Q85 HydrophobicContact CD1-CG 3.7Å; K81-Q85 WeakPolarHBondContact O-CG 3.25Å; K81-Q85 PolarHBondContact O-N 2.84Å; K82-Q85 PolarHBondContact O-N 2.86Å; K82-Q85 VanDerWaalsContact O-N 3.15Å; Q85-L88 PolarHBondContact O-N 3Å; Q85-K89 WeakPolarHBondContact O-CG 3.25Å; Q85-K89 PolarHBondContact O-N 3.18Å
86E86.5Confident81.6Confident123 Ų12384.8 Ų84.858%0.57543%0.428SS*.Hα-helixtrans-67.5-42.2175.9-111.1149.1-169.600112.2K82 P83 V84 L88 K89 T90K82-E86 PolarHBondContact O-N 3.37Å; P83-E86 PolarHBondContact O-N 2.99Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 3.36Å; E86-L88 VanDerWaalsContact C-N 3.34Å; E86-K89 PolarHBondContact O-N 2.93Å; E86-T90 WeakPolarHBondContact O-CB 3.49Å; E86-T90 PolarHBondContact O-N 2.9Å; E86-T90 PolarHBondContact O-OG1 3.21Å
87Q80.3Confident81.7Confident136 Ų13681.9 Ų81.964%0.63641%0.411SS*.Hα-helixtrans-60.7-43.9171.3-74179.56.800111.3P83 V84 K89 T90 F91P83-Q87 WeakPolarHBondContact O-CG 3.35Å; P83-Q87 PolarHBondContact O-N 3.42Å; V84-Q87 PolarHBondContact O-N 3.38Å; Q87-K89 PolarHBondContact O-N 3.06Å; Q87-T90 CarbonylContact O-C 3.57Å; Q87-T90 PolarHBondContact O-N 3.45Å; Q87-F91 WeakPolarHBondContact O-CB 3.39Å; Q87-F91 PolarHBondContact O-N 2.99Å
88L81.9Confident81.6Confident14 Ų1484.3 Ų84.37%0.07342%0.422CS..Hα-helixtrans-62.4-42.4176.7-172.768.1000111.5Y64 I65 V68 Q69 V84 Q85 E86 T90 F91 L92Y64-L88 HydrophobicContact CD1-CD1 4Å; Y64-L88 HydrophobicContact CE1-CD1 3.8Å; I65-L88 HydrophobicContact CG1-CD1 4.23Å; V68-L88 HydrophobicContact CB-CD1 4.18Å; V68-L88 HydrophobicContact CB-CD2 4.28Å; V68-L88 HydrophobicContact CG1-CD1 4.24Å; V68-L88 HydrophobicContact CG1-CD2 3.93Å; V68-L88 HydrophobicContact CG1-CG 4.46Å; V68-L88 HydrophobicContact CG2-CD1 4.13Å; Q69-L88 HydrophobicContact CG-CD2 4.37Å; V84-L88 WeakPolarHBondContact O-CB 3.4Å; V84-L88 PolarHBondContact O-N 3.39Å; Q85-L88 PolarHBondContact O-N 3Å; E86-L88 VanDerWaalsContact C-N 3.34Å; L88-T90 VanDerWaalsContact C-N 3.34Å; L88-T90 PolarHBondContact O-N 3.18Å; L88-F91 WeakPolarHBondContact O-CB 3.39Å; L88-F91 PolarHBondContact O-N 3.47Å; L88-L92 HydrophobicContact CG-CD1 4.39Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.24Å; L88-L92 PolarHBondContact O-N 2.93Å
89K83.3Confident81.5Confident134 Ų13483.3 Ų83.358%0.58342%0.415SS*.Hα-helixtrans-60.8-43.7174.3-76.2176.8-176.6176.50111.8Q85 E86 Q87 F91 L92 Q93Q85-K89 WeakPolarHBondContact O-CG 3.25Å; Q85-K89 PolarHBondContact O-N 3.18Å; E86-K89 PolarHBondContact O-N 2.93Å; Q87-K89 PolarHBondContact O-N 3.06Å; K89-F91 VanDerWaalsContact C-N 3.25Å; K89-F91 PolarHBondContact O-N 3.25Å; K89-L92 PolarHBondContact O-N 3.11Å; K89-Q93 PolarHBondContact O-N 3.01Å
90T83.4Confident81.3Confident87 Ų8780.7 Ų80.753%0.53439%0.393SS..Hα-helixtrans-67.3-28.3176.9-51.90000111.9K55 E86 Q87 L88 L92K55-T90 PolarHBondContact NZ-O 3.38Å; K55-T90 VanDerWaalsContact NZ-O 3.1Å; E86-T90 WeakPolarHBondContact O-CB 3.49Å; E86-T90 PolarHBondContact O-N 2.9Å; E86-T90 PolarHBondContact O-OG1 3.21Å; Q87-T90 CarbonylContact O-C 3.57Å; Q87-T90 PolarHBondContact O-N 3.45Å; L88-T90 VanDerWaalsContact C-N 3.34Å; L88-T90 PolarHBondContact O-N 3.18Å; T90-L92 VanDerWaalsContact C-N 3.31Å
91F76.1Confident81.5Confident15 Ų1585.1 Ų85.17%0.06641%0.413CS..Hα-helixtrans-69.3-31.2175-176-97000112.4L51 C54 K55 K61 Y64 Q87 L88 K89L51-F91 HydrophobicContact CB-CE2 3.89Å; L51-F91 HydrophobicContact CD2-CD2 3.72Å; L51-F91 HydrophobicContact CD2-CE2 3.24Å; L51-F91 HydrophobicContact CD2-CZ 3.85Å; L51-F91 HydrophobicContact CG-CE2 4.18Å; L51-F91 VanDerWaalsContact O-CE2 3.29Å; L51-F91 WeakPolarHBondContact O-CE2 3.46Å; C54-F91 HydrophobicContact CB-CZ 4.39Å; K55-F91 HydrophobicContact CB-CE2 4.37Å; K55-F91 HydrophobicContact CB-CZ 4.32Å; K55-F91 HydrophobicContact CD-CD2 4.09Å; K55-F91 HydrophobicContact CD-CE2 4.06Å; K55-F91 WeakPolarHBondContact CE-O 3.37Å; K55-F91 HydrophobicContact CG-CD2 3.66Å; K55-F91 HydrophobicContact CG-CE1 4.15Å; K55-F91 HydrophobicContact CG-CE2 3.17Å; K55-F91 HydrophobicContact CG-CG 4.3Å; K55-F91 HydrophobicContact CG-CZ 3.46Å; K55-F91 VanDerWaalsContact CG-CZ 3.46Å; K55-F91 PolarHBondContact NZ-O 3.08Å; K61-F91 HydrophobicContact CG-CD1 4.47Å; K61-F91 HydrophobicContact CG-CE1 3.66Å; K61-F91 HydrophobicContact CG-CZ 4.35Å; Y64-F91 AromaticContact CD1-CD1 3.89Å; Y64-F91 HydrophobicContact CD1-CD1 3.89Å; Y64-F91 AromaticContact CD1-CE1 3.72Å; Y64-F91 HydrophobicContact CD1-CE1 3.72Å; Y64-F91 HydrophobicContact CD1-CZ 4.23Å; Y64-F91 HydrophobicContact CE1-CD1 4.1Å; Y64-F91 HydrophobicContact CE1-CE1 4.25Å; Y64-F91 HydrophobicContact CE1-CG 4.28Å; Q87-F91 WeakPolarHBondContact O-CB 3.39Å; Q87-F91 PolarHBondContact O-N 2.99Å; L88-F91 WeakPolarHBondContact O-CB 3.39Å; L88-F91 PolarHBondContact O-N 3.47Å; K89-F91 VanDerWaalsContact C-N 3.25Å; K89-F91 PolarHBondContact O-N 3.25Å
92L72.5Confident81.4Confident78 Ų7888.8 Ų88.841%0.40843%0.433SS..Hα-helixtrans-90.1-18.7-175.9-63.9173.1000114.9I65 L88 K89 T90I65-L92 HydrophobicContact CD1-CD1 4Å; I65-L92 HydrophobicContact CD1-CD2 3.27Å; I65-L92 HydrophobicContact CD1-CG 4.25Å; I65-L92 HydrophobicContact CG1-CD1 4.14Å; I65-L92 HydrophobicContact CG1-CD2 3.67Å; I65-L92 HydrophobicContact CG1-CG 4.39Å; L88-L92 HydrophobicContact CG-CD1 4.39Å; L88-L92 VanDerWaalsContact O-CG 3.29Å; L88-L92 WeakPolarHBondContact O-CG 3.24Å; L88-L92 PolarHBondContact O-N 2.93Å; K89-L92 PolarHBondContact O-N 3.11Å; T90-L92 VanDerWaalsContact C-N 3.31Å
93Q73.7Confident81.1Confident195 Ų19585.5 Ų85.591%0.91142%0.423SS*.  trans-74.20167.3-67.4177.5-6.200110.4K89K89-Q93 PolarHBondContact O-N 3.01Å

Retrieved 93 of 93 residues in 40 ms (Link to these results)