A0A087XDX9_POEFO Loading...

COP9 signalosome complex subunit 5

AlphaFold DB , UniProt , Accession A0A087XDX9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 334 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
1M40.1Very low58.3Low226 Ų22680.7 Ų80.7100%1.11348%0.479SS*.  0-24.70-67.7-141.5-9700114.3
2A41Very low59.3Low82 Ų8277.7 Ų77.768%0.67846%0.456SS*.Hα-helixtrans-76.5-28.4-179.200000116T6A2-T6 PolarHBondContact O-OG1 2.99Å; A2-T6 VanDerWaalsContact O-OG1 3.05Å
3G46.5Very low60.1Low60 Ų6082.2 Ų82.262%0.61948%0.476SS*.Hα-helixtrans-72.6-28.5-176.600000114.6A7G3-A7 PolarHBondContact O-N 3.37Å
4S50.5Low60.8Low27 Ų2780.2 Ų80.219%0.18947%0.469CS..Hα-helixtrans-74.7-49.4-17684.60000110.8T6 A7 Q8 W240S4-T6 PolarHBondContact O-N 3.04Å; S4-T6 VanDerWaalsContact O-N 3.15Å; S4-A7 PolarHBondContact O-N 3.07Å; S4-Q8 PolarHBondContact O-N 3.07Å; S4-W240 VanDerWaalsContact CB-NE1 3.29Å; S4-W240 VanDerWaalsContact O-CD1 3.31Å; S4-W240 PolarHBondContact O-NE1 2.97Å
5S60.7Low61.5Low54 Ų5475.5 Ų75.538%0.37844%0.441SS..Hα-helixtrans-54.2-36.3175.9178.50000113.3K9S5-K9 WeakPolarHBondContact O-CB 3.45Å; S5-K9 WeakPolarHBondContact O-CG 2.85Å; S5-K9 PolarHBondContact O-N 3.36Å
6T69.4Low61.5Low86 Ų8682.3 Ų82.353%0.52846%0.457SS..Hα-helixtrans-69.8-45-178-53.40000112A2 S4 K9 T10A2-T6 PolarHBondContact O-OG1 2.99Å; A2-T6 VanDerWaalsContact O-OG1 3.05Å; S4-T6 PolarHBondContact O-N 3.04Å; S4-T6 VanDerWaalsContact O-N 3.15Å; T6-K9 PolarHBondContact O-N 2.82Å; T6-T10 PolarHBondContact O-N 3.07Å; T6-T10 PolarHBondContact O-OG1 2.98Å
7A61.7Low61.6Low35 Ų3579.4 Ų79.429%0.28944%0.44SS..Hα-helixtrans-70.4-34.218000000113.1G3 S4 T10 W11 W240G3-A7 PolarHBondContact O-N 3.37Å; S4-A7 PolarHBondContact O-N 3.07Å; A7-T10 PolarHBondContact O-N 3.12Å; A7-W11 PolarHBondContact O-N 3.02Å; A7-W240 HydrophobicContact CB-CH2 3.93Å; A7-W240 HydrophobicContact CB-CZ2 3.28Å
8Q62.4Low61.2Low24 Ų2482.9 Ų82.911%0.11245%0.452CS..Hα-helixtrans-61.9-47.6169.6179.7-178.5-7.500111S4 T10 W11 E12 W240S4-Q8 PolarHBondContact O-N 3.07Å; Q8-T10 VanDerWaalsContact C-N 3.29Å; Q8-T10 PolarHBondContact O-N 3.43Å; Q8-W11 PolarHBondContact O-N 3.17Å; Q8-W11 VanDerWaalsContact O-N 3.16Å; Q8-E12 HydrophobicContact CG-CG 4.4Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.44Å; Q8-E12 PolarHBondContact NE2-OE1 2.67Å; Q8-E12 WeakPolarHBondContact O-CG 2.89Å; Q8-E12 PolarHBondContact O-N 2.7Å; Q8-W240 HydrophobicContact CB-CD2 4.47Å; Q8-W240 HydrophobicContact CB-CG 4.47Å
9K68.9Low60.6Low119 Ų11986.4 Ų86.452%0.51747%0.465SS..Hα-helixtrans-59.8-40.3175.5-78.4179.6178-177.70111.8S5 T6 W11 E12 L13S5-K9 WeakPolarHBondContact O-CB 3.45Å; S5-K9 WeakPolarHBondContact O-CG 2.85Å; S5-K9 PolarHBondContact O-N 3.36Å; T6-K9 PolarHBondContact O-N 2.82Å; K9-W11 VanDerWaalsContact C-N 3.35Å; K9-W11 PolarHBondContact O-N 2.62Å; K9-E12 PolarHBondContact O-N 3.48Å; K9-L13 HydrophobicContact CB-CD1 4.46Å; K9-L13 WeakPolarHBondContact O-CB 3.45Å; K9-L13 WeakPolarHBondContact O-CD1 3.36Å; K9-L13 WeakPolarHBondContact O-CG 3.41Å; K9-L13 PolarHBondContact O-N 3.4Å
10T70.7Confident60Low77 Ų7786.2 Ų86.247%0.47247%0.467SS..Hα-helixtrans-60.4-43.8174.9-57.50000111.4T6 A7 Q8 S14T6-T10 PolarHBondContact O-N 3.07Å; T6-T10 PolarHBondContact O-OG1 2.98Å; A7-T10 PolarHBondContact O-N 3.12Å; Q8-T10 VanDerWaalsContact C-N 3.29Å; Q8-T10 PolarHBondContact O-N 3.43Å; T10-S14 WeakPolarHBondContact O-CB 3.3Å; T10-S14 PolarHBondContact O-N 3.48Å; T10-S14 PolarHBondContact O-OG 3.34Å
11W69.5Low59.3Low98 Ų9892.1 Ų92.137%0.37149%0.492SS..Hα-helixtrans-64.6-44.5175.8-17783.9000112.3A7 Q8 K9 S14 N15 M17A7-W11 PolarHBondContact O-N 3.02Å; Q8-W11 PolarHBondContact O-N 3.17Å; Q8-W11 VanDerWaalsContact O-N 3.16Å; K9-W11 VanDerWaalsContact C-N 3.35Å; K9-W11 PolarHBondContact O-N 2.62Å; W11-S14 PolarHBondContact O-N 2.82Å; W11-N15 PolarHBondContact NE1-ND2 3.06Å; W11-N15 PolarHBondContact O-N 3.45Å; W11-N15 VanDerWaalsContact O-N 3.17Å; W11-N15 PolarHBondContact O-ND2 3.33Å; W11-M17 HydrophobicContact CE3-SD 4.37Å; W11-M17 HydrophobicContact CH2-CE 3.83Å; W11-M17 HydrophobicContact CH2-SD 4.21Å; W11-M17 HydrophobicContact CZ3-CE 3.8Å; W11-M17 HydrophobicContact CZ3-SD 3.59Å; W11-M17 VanDerWaalsContact CZ3-SD 3.59Å
12E70.4Confident60.2Low44 Ų4484.2 Ų84.221%0.20646%0.458CS..Hα-helixtrans-64.6-43.4178.6-68.5173173.500112.2Q8 K9 N15 R16 M17 K228Q8-E12 HydrophobicContact CG-CG 4.4Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.44Å; Q8-E12 PolarHBondContact NE2-OE1 2.67Å; Q8-E12 WeakPolarHBondContact O-CG 2.89Å; Q8-E12 PolarHBondContact O-N 2.7Å; K9-E12 PolarHBondContact O-N 3.48Å; E12-N15 CarbonylContact O-C 3.59Å; E12-N15 PolarHBondContact O-N 3.3Å; E12-R16 PolarHBondContact O-N 2.99Å; E12-R16 VanDerWaalsContact O-N 3.12Å; E12-M17 HydrophobicContact CB-CB 4.48Å; E12-M17 HydrophobicContact CG-SD 4.08Å; E12-M17 PolarHBondContact O-N 2.87Å; E12-M17 VanDerWaalsContact O-N 3.11Å; E12-K228 VanDerWaalsContact CD-NZ 3.26Å; E12-K228 IonicContact OE1-NZ 3.68Å; E12-K228 PolarHBondContact OE1-NZ 2.88Å
13L69.2Low61.4Low136 Ų13682.2 Ų82.271%0.71244%0.436SS*.Hα-helixtrans-64.8-44.3175.1-81.1157.7000111.6K9 N15 R16K9-L13 HydrophobicContact CB-CD1 4.46Å; K9-L13 WeakPolarHBondContact O-CB 3.45Å; K9-L13 WeakPolarHBondContact O-CD1 3.36Å; K9-L13 WeakPolarHBondContact O-CG 3.41Å; K9-L13 PolarHBondContact O-N 3.4Å; L13-N15 PolarHBondContact O-N 3.4Å; L13-R16 PolarHBondContact O-N 2.88Å; L13-R16 VanDerWaalsContact O-N 3.12Å
14S69.7Low63.1Low55 Ų5582.4 Ų82.439%0.38542%0.423SS..Hα-helixtrans-63.6-24.9-179.7-610000112.4T10 W11 K178T10-S14 WeakPolarHBondContact O-CB 3.3Å; T10-S14 PolarHBondContact O-N 3.48Å; T10-S14 PolarHBondContact O-OG 3.34Å; W11-S14 PolarHBondContact O-N 2.82Å; S14-K178 WeakPolarHBondContact O-CE 2.98Å
15N72.1Confident64.8Low9 Ų986.6 Ų86.65%0.04844%0.439CS..THydrogen-bonded Turntrans-105.910.7178.3-64.5-64.3000113.6W11 E12 L13 M17 Y226W11-N15 PolarHBondContact NE1-ND2 3.06Å; W11-N15 PolarHBondContact O-N 3.45Å; W11-N15 VanDerWaalsContact O-N 3.17Å; W11-N15 PolarHBondContact O-ND2 3.33Å; E12-N15 CarbonylContact O-C 3.59Å; E12-N15 PolarHBondContact O-N 3.3Å; L13-N15 PolarHBondContact O-N 3.4Å; N15-M17 VanDerWaalsContact C-N 3.25Å; N15-M17 PolarHBondContact O-N 2.6Å; N15-M17 VanDerWaalsContact O-N 3.16Å; N15-Y226 HydrophobicContact CB-CD2 4.01Å; N15-Y226 HydrophobicContact CB-CE2 4.21Å; N15-Y226 WeakPolarHBondContact O-CD2 3.29Å
16R61.9Low66.2Low185 Ų18585.8 Ų85.870%0.69843%0.43SS*.THydrogen-bonded Turntrans49.640.5177.6-57.4-177.6-179.1177.41.7114.1E12 L13 Q18E12-R16 PolarHBondContact O-N 2.99Å; E12-R16 VanDerWaalsContact O-N 3.12Å; L13-R16 PolarHBondContact O-N 2.88Å; L13-R16 VanDerWaalsContact O-N 3.12Å; R16-Q18 PolarHBondContact O-N 2.97Å
17M62.1Low67.2Low33 Ų3384.9 Ų84.916%0.16342%0.418CS..  trans-66.3124.2176.2-79.9-172144.500110.7W11 E12 N15 A57 K228W11-M17 HydrophobicContact CE3-SD 4.37Å; W11-M17 HydrophobicContact CH2-CE 3.83Å; W11-M17 HydrophobicContact CH2-SD 4.21Å; W11-M17 HydrophobicContact CZ3-CE 3.8Å; W11-M17 HydrophobicContact CZ3-SD 3.59Å; W11-M17 VanDerWaalsContact CZ3-SD 3.59Å; E12-M17 HydrophobicContact CB-CB 4.48Å; E12-M17 HydrophobicContact CG-SD 4.08Å; E12-M17 PolarHBondContact O-N 2.87Å; E12-M17 VanDerWaalsContact O-N 3.11Å; N15-M17 VanDerWaalsContact C-N 3.25Å; N15-M17 PolarHBondContact O-N 2.6Å; N15-M17 VanDerWaalsContact O-N 3.16Å; M17-A57 HydrophobicContact CE-CB 4.11Å; M17-K228 HydrophobicContact CE-CB 4.41Å; M17-K228 HydrophobicContact CE-CD 4.06Å; M17-K228 HydrophobicContact CE-CG 4.44Å; M17-K228 HydrophobicContact SD-CD 4.03Å
18Q54.8Low68.6Low142 Ų14290.1 Ų90.166%0.66443%0.434SS*.  trans-91.7136.8176-69.7-172.1-9.600111.9R16R16-Q18 PolarHBondContact O-N 2.97Å
19E49.8Very low70Confident150 Ų15091.4 Ų91.470%0.70144%0.438SS*.  trans-99.198.5174.7-157.5170-151.500108.9I23 R233E19-I23 HydrophobicContact CG-CD1 4.05Å; E19-R233 IonicContact OE1-NE 3.92Å
20V47.8Very low71.1Confident81 Ų8189.7 Ų89.749%0.49144%0.435SS..  trans-87.5137.7-177.6-179.70000109.7S22 I23V20-S22 PolarHBondContact O-N 3.33Å; V20-I23 WeakPolarHBondContact O-CG1 3.41Å; V20-I23 PolarHBondContact O-N 3.27Å
21Q45.2Very low72.2Confident212 Ų21292.5 Ų92.599%0.99144%0.44SS*.THydrogen-bonded Turntrans-64.2-9.4-174.6-68176.6-7.800115.1
22S60.3Low73.4Confident59 Ų5994.4 Ų94.441%0.41345%0.451SS..THydrogen-bonded Turntrans-130.264.5165.6-173.60000109.2V20 D24 E25V20-S22 PolarHBondContact O-N 3.33Å; S22-D24 PolarHBondContact O-N 3.03Å; S22-E25 WeakPolarHBondContact O-CB 3.2Å; S22-E25 PolarHBondContact O-N 2.96Å; S22-E25 PolarHBondContact OG-OE2 3.24Å
23I66Low74.5Confident40 Ų4095.9 Ų95.921%0.20546%0.458CS..THydrogen-bonded Turntrans-46-37.1-173.1-58.8-177.8000112.7E19 V20 I26 K228E19-I23 HydrophobicContact CG-CD1 4.05Å; V20-I23 WeakPolarHBondContact O-CG1 3.41Å; V20-I23 PolarHBondContact O-N 3.27Å; I23-I26 WeakPolarHBondContact O-CG2 3.16Å; I23-K228 WeakPolarHBondContact CG2-O 3.46Å
24D82.1Confident75.8Confident65 Ų6590 Ų9035%0.34843%0.427SS..THydrogen-bonded Turntrans-90.2-5.8-169.8-59.7-28.5000113.7S22 I26 Y27 S229 S230S22-D24 PolarHBondContact O-N 3.03Å; D24-I26 VanDerWaalsContact C-N 3.29Å; D24-I26 PolarHBondContact O-N 2.94Å; D24-Y27 WeakPolarHBondContact O-CB 3.38Å; D24-Y27 PolarHBondContact O-N 2.71Å; D24-S229 VanDerWaalsContact OD1-CA 3.29Å; D24-S229 WeakPolarHBondContact OD1-CA 3.37Å; D24-S229 VanDerWaalsContact OD1-CB 3.3Å; D24-S229 WeakPolarHBondContact OD1-CB 3.32Å; D24-S230 PolarHBondContact OD1-N 2.88Å; D24-S230 WeakPolarHBondContact OD2-CB 3.43Å; D24-S230 PolarHBondContact OD2-OG 3.11Å
25E86.7Confident76.9Confident114 Ų11492.6 Ų92.653%0.53343%0.433SS..G310 helixtrans-64.1-35.1-179.6-175.1157.9-153.100112.7S22 Y27 K28S22-E25 WeakPolarHBondContact O-CB 3.2Å; S22-E25 PolarHBondContact O-N 2.96Å; S22-E25 PolarHBondContact OG-OE2 3.24Å; E25-Y27 PolarHBondContact O-N 3.05Å; E25-K28 WeakPolarHBondContact O-CB 3.35Å; E25-K28 PolarHBondContact O-N 3.47Å
26I89.8Confident78Confident37 Ų3797.3 Ų97.319%0.1946%0.455CS..G310 helixtrans-58.8-21.7175-166.4168000112.6I23 D24 K54 K82 I89 F227I23-I26 WeakPolarHBondContact O-CG2 3.16Å; D24-I26 VanDerWaalsContact C-N 3.29Å; D24-I26 PolarHBondContact O-N 2.94Å; I26-K54 HydrophobicContact CD1-CD 3.87Å; I26-K82 WeakPolarHBondContact O-CE 3.35Å; I26-K82 PolarHBondContact O-NZ 2.98Å; I26-I89 HydrophobicContact CD1-CD1 4.28Å; I26-I89 HydrophobicContact CD1-CG2 4.13Å; I26-I89 HydrophobicContact CG1-CD1 4.16Å; I26-I89 HydrophobicContact CG1-CG2 4.21Å; I26-F227 HydrophobicContact CD1-CD1 3.87Å; I26-F227 HydrophobicContact CD1-CD2 3.95Å; I26-F227 HydrophobicContact CD1-CE1 3.91Å; I26-F227 HydrophobicContact CD1-CE2 3.99Å; I26-F227 HydrophobicContact CD1-CG 3.88Å; I26-F227 HydrophobicContact CD1-CZ 3.97Å; I26-F227 HydrophobicContact CG1-CD2 4.47Å; I26-F227 HydrophobicContact CG1-CE2 4.21Å; I26-F227 HydrophobicContact CG1-CZ 4.35Å; I26-F227 HydrophobicContact CG2-CD2 3.55Å; I26-F227 HydrophobicContact CG2-CE2 3.68Å; I26-F227 HydrophobicContact CG2-CG 4.39Å
27Y90Very high79.6Confident68 Ų6889.9 Ų89.927%0.26743%0.429SS..G310 helixtrans-83.9-12.7178.3-66.7-97000113.6D24 E25 Y29 M91 F227 K228 S229D24-Y27 WeakPolarHBondContact O-CB 3.38Å; D24-Y27 PolarHBondContact O-N 2.71Å; E25-Y27 PolarHBondContact O-N 3.05Å; Y27-Y29 PolarHBondContact O-N 3.15Å; Y27-M91 HydrophobicContact CD1-CE 3.33Å; Y27-M91 HydrophobicContact CE1-CE 3.87Å; Y27-M91 HydrophobicContact CG-CE 3.9Å; Y27-F227 HydrophobicContact CE1-CE2 4.1Å; Y27-F227 AromaticContact CE2-CD2 3.86Å; Y27-F227 HydrophobicContact CE2-CD2 3.86Å; Y27-F227 AromaticContact CE2-CE2 3.86Å; Y27-F227 HydrophobicContact CE2-CE2 3.86Å; Y27-F227 AromaticContact CZ-CD2 3.85Å; Y27-F227 AromaticContact CZ-CE2 3.62Å; Y27-K228 VanDerWaalsContact OH-C 3.3Å; Y27-K228 WeakPolarHBondContact OH-CA 3.35Å; Y27-S229 PolarHBondContact OH-N 2.99Å
28K90.6Very high81.1Confident144 Ų14491.5 Ų91.563%0.62644%0.437SS*.  trans-71.8128.6177.4-65.8179.8-176.8170.50110.6E25 K82E25-K28 WeakPolarHBondContact O-CB 3.35Å; E25-K28 PolarHBondContact O-N 3.47Å; K28-K82 PolarHBondContact O-NZ 2.82Å
29Y92.4Very high83Confident51 Ų5188.6 Ų88.620%0.244%0.438CS..  trans-99.2110177.6-170.7-97.2000111Y27 K31 Q34 K82 L128 E129Y27-Y29 PolarHBondContact O-N 3.15Å; Y29-K31 HydrophobicContact CD1-CB 4.37Å; Y29-K31 HydrophobicContact CE1-CB 3.99Å; Y29-K31 HydrophobicContact CE1-CG 4.43Å; Y29-Q34 HydrophobicContact CE2-CG 3.98Å; Y29-K82 HydrophobicContact CD2-CD 4.19Å; Y29-K82 HydrophobicContact CE2-CB 4.34Å; Y29-L128 HydrophobicContact CD1-CB 3.55Å; Y29-L128 HydrophobicContact CD1-CD1 3.88Å; Y29-L128 HydrophobicContact CD1-CG 4.38Å; Y29-L128 HydrophobicContact CD2-CB 4.47Å; Y29-L128 HydrophobicContact CE1-CB 3.8Å; Y29-L128 HydrophobicContact CG-CB 3.91Å; Y29-L128 HydrophobicContact CG-CD1 4.42Å; Y29-E129 HydrophobicContact CD2-CG 3.98Å; Y29-E129 HydrophobicContact CE2-CG 4.13Å
30D93Very high85.2Confident84 Ų8484.8 Ų84.845%0.44943%0.432SS..  trans-95.2102.1171.2-172.4-25.2000110.1K32 Q33 Q34D30-K32 VanDerWaalsContact C-N 3.31Å; D30-K32 PolarHBondContact O-N 2.71Å; D30-K32 WeakPolarHBondContact OD1-CB 3.34Å; D30-K32 PolarHBondContact OD1-N 3.16Å; D30-Q33 HydrophobicContact CB-CB 3.83Å; D30-Q33 PolarHBondContact OD1-N 3.36Å; D30-Q34 WeakPolarHBondContact O-CG 3.46Å; D30-Q34 PolarHBondContact O-N 3.27Å; D30-Q34 VanDerWaalsContact O-N 3.12Å
31K93.3Very high87.5Confident135 Ų13586.3 Ų86.359%0.58743%0.432SS*.Hα-helixtrans-62.8-36.6-180-174.6177179.1-179.40112.5Y29 Q35Y29-K31 HydrophobicContact CD1-CB 4.37Å; Y29-K31 HydrophobicContact CE1-CB 3.99Å; Y29-K31 HydrophobicContact CE1-CG 4.43Å; K31-Q35 VanDerWaalsContact O-CG 3.28Å; K31-Q35 WeakPolarHBondContact O-CG 3.45Å; K31-Q35 PolarHBondContact O-N 3.41Å
32K95.2Very high89.9Confident139 Ų13977.7 Ų77.760%0.60439%0.394SS*.Hα-helixtrans-70.4-46.5-176.8-173.5-173.6177.6-160.10109.7D30 Q34 Q35 E36D30-K32 VanDerWaalsContact C-N 3.31Å; D30-K32 PolarHBondContact O-N 2.71Å; D30-K32 WeakPolarHBondContact OD1-CB 3.34Å; D30-K32 PolarHBondContact OD1-N 3.16Å; K32-Q34 VanDerWaalsContact C-N 3.33Å; K32-Q34 PolarHBondContact O-N 2.87Å; K32-Q35 PolarHBondContact O-N 3.47Å; K32-Q35 VanDerWaalsContact O-N 3.17Å; K32-E36 WeakPolarHBondContact CE-OE1 3.22Å; K32-E36 IonicContact NZ-OE1 2.79Å; K32-E36 WeakPolarHBondContact O-CG 3.4Å; K32-E36 PolarHBondContact O-N 3.05Å
33Q93.5Very high91.5Very high75 Ų7575.7 Ų75.735%0.3538%0.378SS..Hα-helixtrans-56.7-46.2175.1-171-163.726.700111.5D30 Q35 E36 I37D30-Q33 HydrophobicContact CB-CB 3.83Å; D30-Q33 PolarHBondContact OD1-N 3.36Å; Q33-Q35 VanDerWaalsContact C-N 3.34Å; Q33-Q35 PolarHBondContact O-N 2.82Å; Q33-E36 PolarHBondContact O-N 3.3Å; Q33-I37 HydrophobicContact CG-CD1 4.04Å; Q33-I37 WeakPolarHBondContact O-CG1 3.32Å; Q33-I37 PolarHBondContact O-N 3.43Å
34Q94.9Very high92.9Very high11 Ų1178 Ų785%0.05139%0.394CS..Hα-helixtrans-62.5-40.4177.9-68.9-55.4-64.800112.4Y29 D30 K32 I37 L38 K82 V83Y29-Q34 HydrophobicContact CE2-CG 3.98Å; D30-Q34 WeakPolarHBondContact O-CG 3.46Å; D30-Q34 PolarHBondContact O-N 3.27Å; D30-Q34 VanDerWaalsContact O-N 3.12Å; K32-Q34 VanDerWaalsContact C-N 3.33Å; K32-Q34 PolarHBondContact O-N 2.87Å; Q34-I37 PolarHBondContact O-N 3.33Å; Q34-L38 WeakPolarHBondContact O-CB 3.45Å; Q34-L38 VanDerWaalsContact O-CG 3.23Å; Q34-L38 WeakPolarHBondContact O-CG 3.41Å; Q34-L38 PolarHBondContact O-N 3.45Å; Q34-K82 HydrophobicContact CG-CB 4.45Å; Q34-V83 PolarHBondContact NE2-O 3.29Å; Q34-V83 VanDerWaalsContact OE1-N 3.16Å
35Q93.7Very high93.4Very high111 Ų11183.8 Ų83.852%0.51942%0.416SS..Hα-helixtrans-63.6-41.5176.2-75.2174.9-25.200112.1K31 K32 Q33 L38 A39K31-Q35 VanDerWaalsContact O-CG 3.28Å; K31-Q35 WeakPolarHBondContact O-CG 3.45Å; K31-Q35 PolarHBondContact O-N 3.41Å; K32-Q35 PolarHBondContact O-N 3.47Å; K32-Q35 VanDerWaalsContact O-N 3.17Å; Q33-Q35 VanDerWaalsContact C-N 3.34Å; Q33-Q35 PolarHBondContact O-N 2.82Å; Q35-L38 PolarHBondContact O-N 3.05Å; Q35-A39 VanDerWaalsContact O-CB 3.27Å; Q35-A39 WeakPolarHBondContact O-CB 3.44Å; Q35-A39 PolarHBondContact O-N 3.26Å
36E95.9Very high93.7Very high107 Ų10781.6 Ų81.650%0.541%0.408SS..Hα-helixtrans-63.2-44.6177.1-71.8172.2-17800111.6K32 Q33 A39 A40K32-E36 WeakPolarHBondContact CE-OE1 3.22Å; K32-E36 IonicContact NZ-OE1 2.79Å; K32-E36 WeakPolarHBondContact O-CG 3.4Å; K32-E36 PolarHBondContact O-N 3.05Å; Q33-E36 PolarHBondContact O-N 3.3Å; E36-A39 PolarHBondContact O-N 2.93Å; E36-A40 WeakPolarHBondContact O-CB 3.4Å; E36-A40 PolarHBondContact O-N 2.9Å
37I94.6Very high93.8Very high29 Ų2983.1 Ų83.115%0.14941%0.414CS..Hα-helixtrans-64.2-46.3177.6-64.6165.1000111.1Q33 Q34 A39 A40 K41 W43 V83Q33-I37 HydrophobicContact CG-CD1 4.04Å; Q33-I37 WeakPolarHBondContact O-CG1 3.32Å; Q33-I37 PolarHBondContact O-N 3.43Å; Q34-I37 PolarHBondContact O-N 3.33Å; I37-A39 VanDerWaalsContact C-N 3.28Å; I37-A39 PolarHBondContact O-N 2.74Å; I37-A40 PolarHBondContact O-N 2.95Å; I37-K41 PolarHBondContact O-N 3.26Å; I37-W43 HydrophobicContact CG2-CH2 4.19Å; I37-W43 HydrophobicContact CG2-CZ3 3.72Å; I37-V83 HydrophobicContact CB-CG2 4.28Å; I37-V83 HydrophobicContact CD1-CG2 4.31Å; I37-V83 HydrophobicContact CG2-CG2 3.54Å
38L93.1Very high94Very high67 Ų6781.6 Ų81.635%0.35141%0.41SS..Hα-helixtrans-64.9-30.5178.4-72169.9000112.9Q34 Q35 K41 W43 P162Q34-L38 WeakPolarHBondContact O-CB 3.45Å; Q34-L38 VanDerWaalsContact O-CG 3.23Å; Q34-L38 WeakPolarHBondContact O-CG 3.41Å; Q34-L38 PolarHBondContact O-N 3.45Å; Q35-L38 PolarHBondContact O-N 3.05Å; L38-K41 WeakPolarHBondContact O-CE 3.24Å; L38-K41 WeakPolarHBondContact O-CG 3.42Å; L38-W43 HydrophobicContact CD2-CH2 4.1Å; L38-P162 VanDerWaalsContact CD2-CD 3.5Å; L38-P162 HydrophobicContact CD2-CG 4.21Å
39A94.9Very high94.3Very high82 Ų8276.7 Ų76.768%0.67839%0.387SS*.Hα-helixtrans-74.9-40.9173.800000111.8Q35 E36 I37Q35-A39 VanDerWaalsContact O-CB 3.27Å; Q35-A39 WeakPolarHBondContact O-CB 3.44Å; Q35-A39 PolarHBondContact O-N 3.26Å; E36-A39 PolarHBondContact O-N 2.93Å; I37-A39 VanDerWaalsContact C-N 3.28Å; I37-A39 PolarHBondContact O-N 2.74Å
40A96.2Very high94.5Very high69 Ų6974.4 Ų74.457%0.5738%0.378SS*.Hα-helixtrans-73.1-29.6-178.400000113.7E36 I37E36-A40 WeakPolarHBondContact O-CB 3.4Å; E36-A40 PolarHBondContact O-N 2.9Å; I37-A40 PolarHBondContact O-N 2.95Å
41K95.7Very high94.7Very high113 Ų11374.6 Ų74.649%0.49138%0.375SS..  trans46.455.3178.7-57.1-174.4177-177.30113.9I37 L38 W43 T44I37-K41 PolarHBondContact O-N 3.26Å; L38-K41 WeakPolarHBondContact O-CE 3.24Å; L38-K41 WeakPolarHBondContact O-CG 3.42Å; K41-W43 HydrophobicContact CB-CZ2 4.05Å; K41-W43 HydrophobicContact CG-CZ2 3.94Å; K41-W43 PolarHBondContact O-N 2.92Å; K41-W43 VanDerWaalsContact O-N 3.16Å; K41-T44 HydrophobicContact CB-CG2 3.88Å; K41-T44 WeakPolarHBondContact O-CB 3.19Å; K41-T44 PolarHBondContact O-N 3.33Å; K41-T44 PolarHBondContact O-OG1 2.96Å
42P96.1Very high94.9Very high31 Ų3172.5 Ų72.520%0.20136%0.364CS..G310 helixtrans-58.7-31.5-173.524.3-35000113.9T44 K45 Y49P42-T44 PolarHBondContact O-N 3.45Å; P42-T44 VanDerWaalsContact O-N 3.09Å; P42-K45 WeakPolarHBondContact O-CB 3.1Å; P42-K45 PolarHBondContact O-N 3.02Å; P42-Y49 HydrophobicContact CB-CD2 4.24Å; P42-Y49 HydrophobicContact CB-CE1 4.42Å; P42-Y49 HydrophobicContact CB-CE2 3.71Å; P42-Y49 HydrophobicContact CG-CE1 3.92Å; P42-Y49 HydrophobicContact CG-CE2 4.04Å
43W94.8Very high95Very high17 Ų1765.9 Ų65.96%0.06434%0.335CS..G310 helixtrans-60.8-14.1175.252.282.8000114.9I37 L38 K41 K45 D46 Y49 F50 E161 P162I37-W43 HydrophobicContact CG2-CH2 4.19Å; I37-W43 HydrophobicContact CG2-CZ3 3.72Å; L38-W43 HydrophobicContact CD2-CH2 4.1Å; K41-W43 HydrophobicContact CB-CZ2 4.05Å; K41-W43 HydrophobicContact CG-CZ2 3.94Å; K41-W43 PolarHBondContact O-N 2.92Å; K41-W43 VanDerWaalsContact O-N 3.16Å; W43-K45 PolarHBondContact O-N 3.29Å; W43-D46 CarbonylContact O-C 3.55Å; W43-D46 VanDerWaalsContact O-O 3.05Å; W43-Y49 HydrophobicContact CB-CD1 4Å; W43-Y49 HydrophobicContact CB-CG 4.27Å; W43-Y49 HydrophobicContact CE3-CE1 4.42Å; W43-F50 HydrophobicContact CB-CD2 4.39Å; W43-F50 HydrophobicContact CB-CE2 3.85Å; W43-F50 HydrophobicContact CD2-CE2 4.12Å; W43-F50 HydrophobicContact CD2-CZ 4.23Å; W43-F50 AromaticContact CE3-CE2 3.89Å; W43-F50 HydrophobicContact CE3-CE2 3.89Å; W43-F50 AromaticContact CE3-CZ 3.55Å; W43-F50 HydrophobicContact CE3-CZ 3.55Å; W43-F50 HydrophobicContact CG-CE2 4.13Å; W43-F50 HydrophobicContact CZ3-CZ 4.08Å; W43-E161 VanDerWaalsContact CD1-CG 3.47Å; W43-E161 HydrophobicContact CG-CG 4.31Å; W43-P162 HydrophobicContact CH2-CB 4.45Å; W43-P162 HydrophobicContact CH2-CG 4.1Å; W43-P162 HydrophobicContact CZ2-CG 4.42Å; W43-P162 HydrophobicContact CZ3-CG 4.41Å
44T93.6Very high95.2Very high89 Ų8965.4 Ų65.455%0.54633%0.332SS..G310 helixtrans-73.6-17.7173.758.90000112.9K41 P42K41-T44 HydrophobicContact CB-CG2 3.88Å; K41-T44 WeakPolarHBondContact O-CB 3.19Å; K41-T44 PolarHBondContact O-N 3.33Å; K41-T44 PolarHBondContact O-OG1 2.96Å; P42-T44 PolarHBondContact O-N 3.45Å; P42-T44 VanDerWaalsContact O-N 3.09Å
45K93.4Very high95.4Very high186 Ų18664.9 Ų64.981%0.80933%0.33SS*.THydrogen-bonded Turntrans-89.9-26.1179.6-59.9-179.4-178.2177.40112.8P42 W43P42-K45 WeakPolarHBondContact O-CB 3.1Å; P42-K45 PolarHBondContact O-N 3.02Å; W43-K45 PolarHBondContact O-N 3.29Å
46D93.1Very high95.4Very high69 Ų6959.7 Ų59.737%0.36931%0.306SS..  trans-144.2117.3-178.2-179.27.3000110.1W43 H48 Y49W43-D46 CarbonylContact O-C 3.55Å; W43-D46 VanDerWaalsContact O-O 3.05Å; D46-H48 PolarHBondContact O-N 3.39Å; D46-H48 PolarHBondContact OD1-N 3.35Å; D46-Y49 WeakPolarHBondContact O-CB 3.43Å; D46-Y49 PolarHBondContact O-N 3.48Å; D46-Y49 VanDerWaalsContact O-N 3.08Å
47H92.3Very high95.2Very high68 Ų6855.2 Ų55.232%0.31529%0.287SS..THydrogen-bonded Turntrans-68-16.8178.4-56.4142.8000113.1Y191 Y220H47-Y191 AromaticContact CE1-CD2 3.78Å; H47-Y191 AromaticContact ND1-CD2 3.16Å; H47-Y191 WeakPolarHBondContact ND1-CD2 3.13Å; H47-Y191 AromaticContact ND1-CE2 3.44Å; H47-Y191 WeakPolarHBondContact ND1-CE2 3.49Å; H47-Y191 AromaticContact ND1-CG 3.62Å; H47-Y220 WeakPolarHBondContact O-CE1 3.4Å; H47-Y220 PolarHBondContact O-OH 2.91Å
48H92.9Very high94.9Very high37 Ų3758 Ų5817%0.17130%0.302CS..THydrogen-bonded Turntrans-101.118.3173.1-70.891.6000113.2D46 F50 Y187 Y191D46-H48 PolarHBondContact O-N 3.39Å; D46-H48 PolarHBondContact OD1-N 3.35Å; H48-F50 VanDerWaalsContact C-N 3.31Å; H48-F50 PolarHBondContact O-N 3.44Å; H48-Y187 AromaticContact CE1-CE1 3.27Å; H48-Y187 WeakPolarHBondContact CE1-CE1 3.32Å; H48-Y187 AromaticContact CE1-CZ 3.74Å; H48-Y187 PolarHBondContact CE1-OH 3.24Å; H48-Y187 AromaticContact ND1-CE1 3.94Å; H48-Y187 AromaticContact NE2-CE1 3.41Å; H48-Y187 WeakPolarHBondContact NE2-CE1 3.48Å; H48-Y187 AromaticContact NE2-CZ 3.53Å; H48-Y187 PolarHBondContact NE2-OH 2.98Å; H48-Y191 AromaticContact CE1-CE1 3.93Å; H48-Y191 PolarHBondContact CE1-OH 2.92Å; H48-Y191 PolarHBondContact ND1-OH 2.85Å
49Y96.6Very high95Very high41 Ų4154.8 Ų54.816%0.16129%0.285CS..  trans-56.5-43.2179.7176.2-97.3000112.9P42 W43 D46 G85 E86P42-Y49 HydrophobicContact CB-CD2 4.24Å; P42-Y49 HydrophobicContact CB-CE1 4.42Å; P42-Y49 HydrophobicContact CB-CE2 3.71Å; P42-Y49 HydrophobicContact CG-CE1 3.92Å; P42-Y49 HydrophobicContact CG-CE2 4.04Å; W43-Y49 HydrophobicContact CB-CD1 4Å; W43-Y49 HydrophobicContact CB-CG 4.27Å; W43-Y49 HydrophobicContact CE3-CE1 4.42Å; D46-Y49 WeakPolarHBondContact O-CB 3.43Å; D46-Y49 PolarHBondContact O-N 3.48Å; D46-Y49 VanDerWaalsContact O-N 3.08Å; Y49-G85 WeakPolarHBondContact CE1-O 3.34Å; Y49-G85 VanDerWaalsContact CZ-O 3.32Å; Y49-G85 PolarHBondContact OH-O 2.96Å; Y49-E86 HydrophobicContact CE2-CG 4.28Å; Y49-E86 WeakPolarHBondContact O-CB 3.32Å; Y49-E86 VanDerWaalsContact O-CG 3.24Å; Y49-E86 WeakPolarHBondContact O-CG 3.42Å
50F97.9Very high95Very high2 Ų251.2 Ų51.21%0.00926%0.255CS..  trans-85.7120.1177.6-67.5-67.1000110.4W43 H48 V83 E86 M88 P162 Y220 L222W43-F50 HydrophobicContact CB-CD2 4.39Å; W43-F50 HydrophobicContact CB-CE2 3.85Å; W43-F50 HydrophobicContact CD2-CE2 4.12Å; W43-F50 HydrophobicContact CD2-CZ 4.23Å; W43-F50 AromaticContact CE3-CE2 3.89Å; W43-F50 HydrophobicContact CE3-CE2 3.89Å; W43-F50 AromaticContact CE3-CZ 3.55Å; W43-F50 HydrophobicContact CE3-CZ 3.55Å; W43-F50 HydrophobicContact CG-CE2 4.13Å; W43-F50 HydrophobicContact CZ3-CZ 4.08Å; H48-F50 VanDerWaalsContact C-N 3.31Å; H48-F50 PolarHBondContact O-N 3.44Å; F50-V83 HydrophobicContact CE1-CB 4.35Å; F50-V83 HydrophobicContact CE1-CG1 3.88Å; F50-V83 HydrophobicContact CZ-CG1 3.95Å; F50-E86 WeakPolarHBondContact CA-O 3.39Å; F50-M88 HydrophobicContact CB-CG 4.31Å; F50-M88 HydrophobicContact CB-SD 4.31Å; F50-M88 HydrophobicContact CD1-CG 3.45Å; F50-M88 VanDerWaalsContact CD1-CG 3.45Å; F50-M88 HydrophobicContact CD1-SD 4.15Å; F50-M88 HydrophobicContact CD2-CG 4.47Å; F50-M88 HydrophobicContact CD2-SD 4.12Å; F50-M88 HydrophobicContact CE1-CG 3.78Å; F50-M88 HydrophobicContact CE2-SD 4.46Å; F50-M88 HydrophobicContact CG-CG 3.84Å; F50-M88 HydrophobicContact CG-SD 3.94Å; F50-M88 HydrophobicContact CZ-CG 4.41Å; F50-P162 HydrophobicContact CE2-CB 3.96Å; F50-P162 HydrophobicContact CZ-CB 3.83Å; F50-Y220 VanDerWaalsContact O-CE2 3.28Å; F50-Y220 WeakPolarHBondContact O-CE2 3.31Å; F50-L222 HydrophobicContact CB-CD2 4.09Å
51K96.6Very high94.7Very high89 Ų8953 Ų5339%0.38725%0.254SS..  trans-115.3-25.9-178.7-61.5175.3-168.2145.90112.5E86 E223K51-E86 WeakPolarHBondContact CD-OE2 3.27Å; K51-E86 PolarHBondContact N-O 2.87Å; K51-E86 IonicContact NZ-OE1 3.76Å; K51-E86 PolarHBondContact NZ-OE1 3.26Å; K51-E86 IonicContact NZ-OE2 3.57Å; K51-E86 PolarHBondContact NZ-OE2 3.04Å; K51-E223 PolarHBondContact O-N 3.46Å
52Y97.9Very high94.6Very high90 Ų9050.9 Ų50.935%0.35325%0.245SC..EExtended strand (participates in β ladder)trans-122.8144.1-170.4-49.7-75.5000111.5E86 T87 M88 E223Y52-E86 HydrophobicContact CD2-CB 4.37Å; Y52-E86 PolarHBondContact N-O 3.01Å; Y52-T87 WeakPolarHBondContact O-CA 3.43Å; Y52-M88 PolarHBondContact O-N 3.08Å; Y52-E223 WeakPolarHBondContact CA-O 3.21Å; Y52-E223 HydrophobicContact CD1-CB 3.99Å; Y52-E223 HydrophobicContact CE1-CB 4.5Å
53C98.1Very high94.5Very high0 Ų049.4 Ų49.40%024%0.235CC..EExtended strand (participates in β ladder)trans-127114.4174.3-1700000109.4M88 A183 L222 E223 V224 T225C53-M88 CarbonylContact C-O 3.51Å; C53-M88 WeakPolarHBondContact CA-O 3.4Å; C53-A183 HydrophobicContact CB-CB 3.84Å; C53-L222 HydrophobicContact CB-CB 4.07Å; C53-L222 HydrophobicContact CB-CD2 4.25Å; C53-E223 PolarHBondContact N-O 2.84Å; C53-V224 HydrophobicContact CB-CG2 4.31Å; C53-V224 CarbonylContact O-C 3.6Å; C53-V224 WeakPolarHBondContact O-CA 3.41Å; C53-T225 PolarHBondContact O-N 3Å
54K97.7Very high94.5Very high66 Ų6649.8 Ų49.829%0.28724%0.239SC..EExtended strand (participates in β ladder)trans-100122176.4-81.5-178.4-174.9-179.20109.7I26 T87 M88 I89 I90 T225 F227I26-K54 HydrophobicContact CD1-CD 3.87Å; K54-T87 HydrophobicContact CB-CG2 4.14Å; K54-T87 HydrophobicContact CD-CG2 3.9Å; K54-T87 HydrophobicContact CG-CG2 3.82Å; K54-M88 PolarHBondContact N-O 3.28Å; K54-I89 HydrophobicContact CB-CG1 4.29Å; K54-I89 HydrophobicContact CB-CG2 4.45Å; K54-I89 CarbonylContact O-C 3.56Å; K54-I89 WeakPolarHBondContact O-CA 3.1Å; K54-I90 PolarHBondContact O-N 2.96Å; K54-T225 CarbonylContact C-O 3.53Å; K54-T225 WeakPolarHBondContact CA-O 2.92Å; K54-T225 WeakPolarHBondContact CG-OG1 3.17Å; K54-F227 HydrophobicContact CB-CD1 3.94Å; K54-F227 HydrophobicContact CB-CE1 3.97Å
55I97.6Very high94.2Very high0 Ų051 Ų510%024%0.24CC..EExtended strand (participates in β ladder)trans-114.7126.4-178.8-52.1-179000109.7A59 L60 M63 I90 L181 V224 T225 Y226 F227I55-A59 HydrophobicContact CG2-CB 4.15Å; I55-L60 HydrophobicContact CG2-CB 4.09Å; I55-M63 HydrophobicContact CG2-CE 3.79Å; I55-I90 HydrophobicContact CD1-CD1 4.19Å; I55-I90 HydrophobicContact CG1-CB 4.4Å; I55-I90 HydrophobicContact CG1-CD1 3.83Å; I55-I90 HydrophobicContact CG2-CB 4.43Å; I55-I90 HydrophobicContact CG2-CG2 4.29Å; I55-L181 HydrophobicContact CD1-CD1 4.08Å; I55-L181 HydrophobicContact CD1-CD2 3.67Å; I55-V224 HydrophobicContact CD1-CG1 3.82Å; I55-V224 HydrophobicContact CG1-CG1 4.25Å; I55-T225 PolarHBondContact N-O 2.84Å; I55-Y226 HydrophobicContact CB-CD1 3.89Å; I55-Y226 HydrophobicContact CB-CE1 4.11Å; I55-Y226 HydrophobicContact CD1-CE1 4.29Å; I55-Y226 VanDerWaalsContact O-CA 3.32Å; I55-Y226 WeakPolarHBondContact O-CA 3.31Å; I55-F227 VanDerWaalsContact C-CE1 3.47Å; I55-F227 PolarHBondContact O-N 2.84Å; I55-F227 VanDerWaalsContact O-N 3.14Å
56S95.1Very high94.2Very high1 Ų143.9 Ų43.91%0.00721%0.21CC..EExtended strand (participates in β ladder)trans-65.5146.3175.2850000110.6L58 A59 L60 I90 M91 F227S56-L58 PolarHBondContact O-N 2.86Å; S56-A59 PolarHBondContact O-N 2.92Å; S56-A59 VanDerWaalsContact O-N 3.16Å; S56-A59 WeakPolarHBondContact OG-CB 3.35Å; S56-A59 PolarHBondContact OG-N 2.82Å; S56-L60 WeakPolarHBondContact O-CB 3.34Å; S56-L60 PolarHBondContact O-N 3.2Å; S56-I90 WeakPolarHBondContact CB-O 3.23Å; S56-I90 PolarHBondContact N-O 2.84Å; S56-M91 WeakPolarHBondContact CB-O 3.28Å; S56-M91 PolarHBondContact OG-O 2.88Å; S56-F227 CarbonylContact C-O 3.57Å; S56-F227 WeakPolarHBondContact CA-O 3.21Å; S56-F227 VanDerWaalsContact N-CE1 3.28Å
57A90.7Very high94.2Very high13 Ų1340.6 Ų40.611%0.10719%0.192CC..Hα-helixtrans-58-3317700000112.3M17 L61 F227 K228M17-A57 HydrophobicContact CE-CB 4.11Å; A57-L61 WeakPolarHBondContact O-CB 3.43Å; A57-L61 PolarHBondContact O-N 3.16Å; A57-F227 PolarHBondContact N-O 3.48Å; A57-K228 HydrophobicContact CB-CB 3.9Å
58L89.4Confident94.1Very high87 Ų8744 Ų4446%0.45520%0.202SC..Hα-helixtrans-65.7-49.9175.317864.2000111.8S56 L60 L61 K62S56-L58 PolarHBondContact O-N 2.86Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L58-L61 PolarHBondContact O-N 3.11Å; L58-K62 PolarHBondContact O-N 2.94Å
59A95.4Very high93.8Very high0 Ų046.6 Ų46.60%022%0.224CC..Hα-helixtrans-62.1-45.617900000110.5I55 S56 L61 K62 M63 I90 S93I55-A59 HydrophobicContact CG2-CB 4.15Å; S56-A59 PolarHBondContact O-N 2.92Å; S56-A59 VanDerWaalsContact O-N 3.16Å; S56-A59 WeakPolarHBondContact OG-CB 3.35Å; S56-A59 PolarHBondContact OG-N 2.82Å; A59-L61 PolarHBondContact O-N 2.78Å; A59-K62 PolarHBondContact O-N 3.05Å; A59-M63 VanDerWaalsContact O-CG 3.24Å; A59-M63 WeakPolarHBondContact O-CG 3.32Å; A59-M63 PolarHBondContact O-N 3.12Å; A59-I90 HydrophobicContact CB-CG2 3.73Å; A59-S93 PolarHBondContact O-OG 3.12Å
60L94.8Very high93.4Very high8 Ų845.4 Ų45.44%0.04223%0.225CC..Hα-helixtrans-54.5-52.4176173.363.1000111.2I55 S56 L58 K62 M63 V64 V179 L181 Y226I55-L60 HydrophobicContact CG2-CB 4.09Å; S56-L60 WeakPolarHBondContact O-CB 3.34Å; S56-L60 PolarHBondContact O-N 3.2Å; L58-L60 VanDerWaalsContact C-N 3.34Å; L60-K62 VanDerWaalsContact C-N 3.34Å; L60-K62 PolarHBondContact O-N 2.87Å; L60-M63 PolarHBondContact O-N 2.62Å; L60-V64 HydrophobicContact CD1-CG2 3.8Å; L60-V64 HydrophobicContact CG-CG2 4.45Å; L60-V64 WeakPolarHBondContact O-CB 3.28Å; L60-V64 WeakPolarHBondContact O-CG2 3.49Å; L60-V64 PolarHBondContact O-N 2.86Å; L60-V179 HydrophobicContact CD1-CG1 3.86Å; L60-L181 HydrophobicContact CD1-CD1 3.8Å; L60-Y226 HydrophobicContact CD1-CE1 3.92Å; L60-Y226 HydrophobicContact CD2-CD1 3.77Å; L60-Y226 HydrophobicContact CD2-CE1 3.76Å; L60-Y226 HydrophobicContact CD2-CG 4.31Å; L60-Y226 HydrophobicContact CG-CE1 4.29Å
61L89.1Confident92.9Very high107 Ų10747 Ų4756%0.5624%0.242SC*.Hα-helixtrans-61.5-43.3-177.6-17266000111.5A57 L58 A59 M65A57-L61 WeakPolarHBondContact O-CB 3.43Å; A57-L61 PolarHBondContact O-N 3.16Å; L58-L61 PolarHBondContact O-N 3.11Å; A59-L61 PolarHBondContact O-N 2.78Å; L61-M65 HydrophobicContact CD1-CG 4.34Å; L61-M65 HydrophobicContact CG-CG 4.39Å; L61-M65 VanDerWaalsContact O-CB 3.27Å; L61-M65 WeakPolarHBondContact O-CB 3.36Å; L61-M65 WeakPolarHBondContact O-CG 3.16Å; L61-M65 PolarHBondContact O-N 3.39Å
62K92.6Very high92.4Very high67 Ų6749.2 Ų49.229%0.29126%0.258SS..Hα-helixtrans-63.4-44.4177.5-76.5-163.2-68.4175.40112.8L58 A59 L60 H66 D92 S93L58-K62 PolarHBondContact O-N 2.94Å; A59-K62 PolarHBondContact O-N 3.05Å; L60-K62 VanDerWaalsContact C-N 3.34Å; L60-K62 PolarHBondContact O-N 2.87Å; K62-H66 VanDerWaalsContact O-CB 3.3Å; K62-H66 WeakPolarHBondContact O-CB 3.45Å; K62-H66 PolarHBondContact O-N 2.78Å; K62-D92 WeakPolarHBondContact CE-OD1 3.33Å; K62-D92 IonicContact NZ-OD1 3.1Å; K62-D92 PolarHBondContact NZ-OD1 2.97Å; K62-D92 IonicContact NZ-OD2 3.68Å; K62-D92 PolarHBondContact NZ-OD2 2.9Å; K62-S93 WeakPolarHBondContact CE-O 3.47Å; K62-S93 PolarHBondContact NZ-O 3.38Å
63M95.8Very high91.9Very high0 Ų050.1 Ų50.10%027%0.269CS..Hα-helixtrans-66.6-43.4179.6-63.3-176.6-65.400111.6I55 A59 L60 H66 A67 M79 S93 Y135 V166 I168 L181I55-M63 HydrophobicContact CG2-CE 3.79Å; A59-M63 VanDerWaalsContact O-CG 3.24Å; A59-M63 WeakPolarHBondContact O-CG 3.32Å; A59-M63 PolarHBondContact O-N 3.12Å; L60-M63 PolarHBondContact O-N 2.62Å; M63-H66 PolarHBondContact O-N 2.91Å; M63-A67 VanDerWaalsContact O-CB 3.31Å; M63-A67 WeakPolarHBondContact O-CB 3.34Å; M63-A67 PolarHBondContact O-N 2.81Å; M63-M79 HydrophobicContact CE-SD 4.43Å; M63-M79 HydrophobicContact SD-CG 4.05Å; M63-M79 HydrophobicContact SD-SD 3.66Å; M63-M79 VanDerWaalsContact SD-SD 3.66Å; M63-S93 WeakPolarHBondContact CG-OG 3.49Å; M63-Y135 HydrophobicContact CB-CD2 3.91Å; M63-Y135 HydrophobicContact CB-CE2 3.85Å; M63-Y135 HydrophobicContact CB-CG 4.32Å; M63-Y135 HydrophobicContact CG-CD1 3.72Å; M63-Y135 HydrophobicContact CG-CD2 3.85Å; M63-Y135 HydrophobicContact CG-CE1 3.73Å; M63-Y135 HydrophobicContact CG-CE2 3.86Å; M63-Y135 HydrophobicContact CG-CG 3.78Å; M63-Y135 HydrophobicContact SD-CD1 3.65Å; M63-Y135 HydrophobicContact SD-CD2 4.12Å; M63-Y135 HydrophobicContact SD-CE1 4.26Å; M63-Y135 HydrophobicContact SD-CG 3.56Å; M63-Y135 VanDerWaalsContact SD-CG 3.56Å; M63-V166 HydrophobicContact SD-CG1 4.49Å; M63-I168 HydrophobicContact CB-CD1 3.34Å; M63-I168 HydrophobicContact CG-CD1 4.38Å; M63-I168 HydrophobicContact SD-CD1 4.38Å; M63-L181 HydrophobicContact CE-CD1 4.38Å
64V93.4Very high91.5Very high26 Ų2651.2 Ų51.216%0.15827%0.273CS..Hα-helixtrans-65.8-42.2178.2171.90000111.5L60 H66 A67 R68 I168 V179L60-V64 HydrophobicContact CD1-CG2 3.8Å; L60-V64 HydrophobicContact CG-CG2 4.45Å; L60-V64 WeakPolarHBondContact O-CB 3.28Å; L60-V64 WeakPolarHBondContact O-CG2 3.49Å; L60-V64 PolarHBondContact O-N 2.86Å; V64-H66 VanDerWaalsContact C-N 3.35Å; V64-A67 PolarHBondContact O-N 3.42Å; V64-R68 WeakPolarHBondContact O-CB 3.46Å; V64-R68 PolarHBondContact O-N 3Å; V64-I168 HydrophobicContact CG2-CG2 4.27Å; V64-V179 HydrophobicContact CG2-CG1 4.2Å
65M87.8Confident91.2Very high114 Ų11448.9 Ų48.956%0.56227%0.265SS*.Hα-helixtrans-63.8-41.4176.4-74.7-63.9-63.300111.8L61 R68 S69L61-M65 HydrophobicContact CD1-CG 4.34Å; L61-M65 HydrophobicContact CG-CG 4.39Å; L61-M65 VanDerWaalsContact O-CB 3.27Å; L61-M65 WeakPolarHBondContact O-CB 3.36Å; L61-M65 WeakPolarHBondContact O-CG 3.16Å; L61-M65 PolarHBondContact O-N 3.39Å; M65-R68 PolarHBondContact O-N 3.16Å; M65-S69 PolarHBondContact O-N 3.17Å
66H92.9Very high91Very high37 Ų3749.3 Ų49.317%0.17127%0.267CS..Hα-helixtrans-65.2-48.8175.7-177.2-143.1000111.6K62 M63 V64 R68 S69 G70 M76 A95 Y135K62-H66 VanDerWaalsContact O-CB 3.3Å; K62-H66 WeakPolarHBondContact O-CB 3.45Å; K62-H66 PolarHBondContact O-N 2.78Å; M63-H66 PolarHBondContact O-N 2.91Å; V64-H66 VanDerWaalsContact C-N 3.35Å; H66-R68 VanDerWaalsContact C-N 3.27Å; H66-R68 PolarHBondContact O-N 3.36Å; H66-S69 WeakPolarHBondContact O-CB 3.43Å; H66-S69 PolarHBondContact O-N 3.19Å; H66-S69 PolarHBondContact O-OG 2.79Å; H66-G70 PolarHBondContact O-N 2.96Å; H66-M76 PolarHBondContact CE1-O 2.9Å; H66-A95 WeakPolarHBondContact CE1-CB 3.37Å; H66-Y135 AromaticContact ND1-CE2 3.76Å; H66-Y135 AromaticContact ND1-CZ 3.68Å; H66-Y135 PolarHBondContact ND1-OH 2.97Å
67A92.9Very high90.9Very high0 Ų049.3 Ų49.30%027%0.267CS..Hα-helixtrans-54.4-44175.300000111.7M63 V64 S69 G70 I168 P170M63-A67 VanDerWaalsContact O-CB 3.31Å; M63-A67 WeakPolarHBondContact O-CB 3.34Å; M63-A67 PolarHBondContact O-N 2.81Å; V64-A67 PolarHBondContact O-N 3.42Å; A67-S69 VanDerWaalsContact C-N 3.34Å; A67-S69 PolarHBondContact O-N 3.14Å; A67-G70 PolarHBondContact O-N 2.91Å; A67-I168 HydrophobicContact CB-CB 4.41Å; A67-I168 HydrophobicContact CB-CG2 4.1Å; A67-P170 HydrophobicContact CB-CB 4.03Å; A67-P170 HydrophobicContact CB-CG 4.02Å
68R90.3Very high91Very high139 Ų13948.8 Ų48.853%0.52526%0.262SS..Hα-helixtrans-64.4-36.5176-175.2175.7-178.8174.42.5112.8V64 M65 H66 G70 G71 P170V64-R68 WeakPolarHBondContact O-CB 3.46Å; V64-R68 PolarHBondContact O-N 3Å; M65-R68 PolarHBondContact O-N 3.16Å; H66-R68 VanDerWaalsContact C-N 3.27Å; H66-R68 PolarHBondContact O-N 3.36Å; R68-G70 PolarHBondContact O-N 3.39Å; R68-G71 PolarHBondContact O-N 3.11Å; R68-G71 VanDerWaalsContact O-N 3.13Å; R68-P170 HydrophobicContact CB-CB 4.38Å
69S87.4Confident91.4Very high91 Ų9144.6 Ų44.664%0.63624%0.24SC*.Hα-helixtrans-66.7-23.5178.272.30000113.3M65 H66 A67 G71M65-S69 PolarHBondContact O-N 3.17Å; H66-S69 WeakPolarHBondContact O-CB 3.43Å; H66-S69 PolarHBondContact O-N 3.19Å; H66-S69 PolarHBondContact O-OG 2.79Å; A67-S69 VanDerWaalsContact C-N 3.34Å; A67-S69 PolarHBondContact O-N 3.14Å; S69-G71 VanDerWaalsContact C-N 3.26Å; S69-G71 PolarHBondContact O-N 3.41Å
70G87.8Confident91.4Very high16 Ų1644.8 Ų44.817%0.16524%0.241CC..THydrogen-bonded Turntrans-70.6-17.3172.100000114.4H66 A67 R68 N72 L73H66-G70 PolarHBondContact O-N 2.96Å; A67-G70 PolarHBondContact O-N 2.91Å; R68-G70 PolarHBondContact O-N 3.39Å; G70-N72 PolarHBondContact O-N 3.35Å; G70-N72 VanDerWaalsContact O-N 3.15Å; G70-L73 WeakPolarHBondContact O-CB 3.48Å; G70-L73 PolarHBondContact O-N 2.88Å
71G88.4Confident91.4Very high37 Ų3744.6 Ų44.638%0.38124%0.242SC..THydrogen-bonded Turntrans61.5-114.9-176.200000111.4R68 S69 P139R68-G71 PolarHBondContact O-N 3.11Å; R68-G71 VanDerWaalsContact O-N 3.13Å; S69-G71 VanDerWaalsContact C-N 3.26Å; S69-G71 PolarHBondContact O-N 3.41Å; G71-P139 WeakPolarHBondContact O-CB 3.24Å
72N86.6Confident91.8Very high134 Ų13440.3 Ų40.372%0.71722%0.218SC*.THydrogen-bonded Turntrans-93.2-0.6176.8-64.9-29.6000113.2G70G70-N72 PolarHBondContact O-N 3.35Å; G70-N72 VanDerWaalsContact O-N 3.15Å
73L86.9Confident92Very high110 Ų11037.2 Ų37.258%0.57621%0.205SC*.SBendtrans-93.4142.3176.6-59.4177.7000110G70G70-L73 WeakPolarHBondContact O-CB 3.48Å; G70-L73 PolarHBondContact O-N 2.88Å
74E89.8Confident91.9Very high22 Ų2241.1 Ų41.110%0.10323%0.226CC..EExtended strand (participates in β ladder)trans-69.8136171.7-54.4-176.7145.300109.9G100 E102 S137 H138 Y141E74-G100 WeakPolarHBondContact O-CA 3.47Å; E74-G100 PolarHBondContact O-N 3.11Å; E74-E102 WeakPolarHBondContact OE1-CG 2.9Å; E74-E102 WeakPolarHBondContact OE2-CG 3.34Å; E74-E102 PolarHBondContact OE2-N 3.31Å; E74-S137 WeakPolarHBondContact CA-OG 3.31Å; E74-S137 WeakPolarHBondContact CB-O 3.41Å; E74-S137 WeakPolarHBondContact CG-O 3.42Å; E74-H138 IonicContact OE1-CD2 2.61Å; E74-H138 PolarHBondContact OE1-CD2 3.06Å; E74-H138 IonicContact OE1-NE2 3.44Å; E74-Y141 WeakPolarHBondContact CG-OH 3.29Å; E74-Y141 PolarHBondContact OE1-OH 2.92Å
75V91.2Very high92Very high17 Ų1741.5 Ų41.510%0.10324%0.235CC..EExtended strand (participates in β ladder)trans-123.9158.4170.5-61.90000108.8H136 S137V75-H136 CarbonylContact O-C 3.42Å; V75-H136 WeakPolarHBondContact O-CA 3.34Å; V75-H136 WeakPolarHBondContact O-CB 3.08Å; V75-S137 PolarHBondContact N-OG 2.78Å; V75-S137 PolarHBondContact O-N 3.42Å
76M92.5Very high92.5Very high10 Ų1039.1 Ų39.15%0.04922%0.223CC..EExtended strand (participates in β ladder)trans-140.4160.7178.367.4-179.7-56.700112.9H66 L96 V98 A107 Q108 W134 Y135 H136H66-M76 PolarHBondContact CE1-O 2.9Å; M76-L96 PolarHBondContact O-N 3.29Å; M76-L96 VanDerWaalsContact O-N 3.09Å; M76-V98 HydrophobicContact CG-CG2 3.33Å; M76-V98 HydrophobicContact SD-CG2 3.52Å; M76-V98 VanDerWaalsContact SD-CG2 3.52Å; M76-A107 HydrophobicContact SD-CB 3.54Å; M76-A107 VanDerWaalsContact SD-CB 3.54Å; M76-Q108 HydrophobicContact CE-CG 3.44Å; M76-Q108 VanDerWaalsContact CE-CG 3.44Å; M76-W134 HydrophobicContact CE-CE3 3.69Å; M76-W134 HydrophobicContact CE-CZ3 3.96Å; M76-Y135 CarbonylContact C-O 3.56Å; M76-Y135 WeakPolarHBondContact CA-O 3.32Å; M76-Y135 WeakPolarHBondContact CB-O 3.38Å; M76-H136 HydrophobicContact CB-CB 3.86Å
77G92.9Very high92.7Very high0 Ų038.3 Ų38.30%022%0.22CC..EExtended strand (participates in β ladder)trans-156.7179.5177.100000112.8F94 W134 Y135G77-F94 CarbonylContact C-O 3.57Å; G77-F94 WeakPolarHBondContact CA-O 3.44Å; G77-W134 WeakPolarHBondContact O-CA 3.38Å; G77-Y135 VanDerWaalsContact C-CE1 3.43Å; G77-Y135 PolarHBondContact N-O 2.73Å; G77-Y135 WeakPolarHBondContact O-CD1 3.43Å; G77-Y135 PolarHBondContact O-N 2.72Å
78L93.8Very high93Very high2 Ų238.3 Ų38.31%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-108.2153177.9-143.572.8000110.7S93 F94 M115 A131 W134 F163L78-S93 CarbonylContact O-C 3.59Å; L78-S93 VanDerWaalsContact O-CA 3.31Å; L78-S93 WeakPolarHBondContact O-CA 3.47Å; L78-F94 HydrophobicContact CB-CD1 4.37Å; L78-F94 HydrophobicContact CB-CE1 3.74Å; L78-F94 HydrophobicContact CB-CE2 4.01Å; L78-F94 HydrophobicContact CB-CZ 3.54Å; L78-F94 HydrophobicContact CD2-CE1 4.23Å; L78-F94 HydrophobicContact CD2-CZ 3.81Å; L78-F94 HydrophobicContact CG-CZ 4.33Å; L78-F94 PolarHBondContact N-O 2.92Å; L78-F94 PolarHBondContact O-N 3.33Å; L78-M115 HydrophobicContact CD1-SD 3.74Å; L78-M115 HydrophobicContact CD2-CG 4.13Å; L78-M115 HydrophobicContact CD2-SD 3.77Å; L78-M115 HydrophobicContact CG-SD 4.29Å; L78-A131 HydrophobicContact CD2-CB 3.85Å; L78-A131 HydrophobicContact CG-CB 4.49Å; L78-W134 HydrophobicContact CD1-CB 4.2Å; L78-F163 HydrophobicContact CD1-CZ 4.11Å
79M96.5Very high93.3Very high0 Ų031.9 Ų31.90%020%0.196CC..EExtended strand (participates in β ladder)trans-116.7136.7177.7-58.6-175.3-61.200109.8M63 I90 D92 A131 I132 G133 W134 Y135 V164 V166M63-M79 HydrophobicContact CE-SD 4.43Å; M63-M79 HydrophobicContact SD-CG 4.05Å; M63-M79 HydrophobicContact SD-SD 3.66Å; M63-M79 VanDerWaalsContact SD-SD 3.66Å; M79-I90 HydrophobicContact CB-CG1 4.33Å; M79-I90 HydrophobicContact CB-CG2 4.07Å; M79-I90 HydrophobicContact CE-CD1 3.67Å; M79-I90 HydrophobicContact CE-CG1 4.21Å; M79-I90 HydrophobicContact CG-CG2 4.32Å; M79-I90 HydrophobicContact SD-CD1 3.44Å; M79-I90 WeakPolarHBondContact SD-CD1 3.47Å; M79-I90 HydrophobicContact SD-CG1 3.97Å; M79-I90 HydrophobicContact SD-CG2 4.1Å; M79-D92 WeakPolarHBondContact CA-O 3.45Å; M79-A131 WeakPolarHBondContact O-CA 3.16Å; M79-I132 HydrophobicContact CB-CG2 4.04Å; M79-I132 PolarHBondContact O-N 3.41Å; M79-G133 PolarHBondContact N-O 2.73Å; M79-W134 VanDerWaalsContact CE-O 3.31Å; M79-W134 WeakPolarHBondContact CE-O 3.09Å; M79-Y135 HydrophobicContact CG-CD1 3.86Å; M79-V164 HydrophobicContact CE-CG1 3.71Å; M79-V166 HydrophobicContact CE-CB 4.02Å; M79-V166 HydrophobicContact CE-CG2 3.65Å; M79-V166 HydrophobicContact SD-CB 3.99Å; M79-V166 HydrophobicContact SD-CG2 3.84Å
80L95.4Very high93.8Very high3 Ų327.5 Ų27.52%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-106.2137.6175.3-59.5-178.3000109.7M91 D92 F94 Y118 I119 E129 N130L80-M91 PolarHBondContact O-N 3.16Å; L80-D92 HydrophobicContact CB-CB 4.44Å; L80-D92 PolarHBondContact N-O 2.85Å; L80-D92 PolarHBondContact O-N 3.16Å; L80-F94 HydrophobicContact CD1-CD1 4.46Å; L80-F94 HydrophobicContact CD1-CE1 4.31Å; L80-F94 HydrophobicContact CD2-CE1 4.05Å; L80-F94 HydrophobicContact CG-CD1 4.36Å; L80-F94 HydrophobicContact CG-CE1 4.06Å; L80-Y118 HydrophobicContact CD1-CE1 4.04Å; L80-I119 HydrophobicContact CD2-CG1 4.31Å; L80-E129 HydrophobicContact CB-CB 4.29Å; L80-N130 CarbonylContact C-O 3.56Å; L80-N130 WeakPolarHBondContact CA-O 3.47Å
81G96.3Very high94.2Very high5 Ų527.5 Ų27.55%0.05216%0.162CC..EExtended strand (participates in β ladder)trans-178-158.3-176.100000114.9I89 E129 N130G81-I89 CarbonylContact C-O 3.52Å; G81-I89 WeakPolarHBondContact CA-O 3.32Å; G81-E129 WeakPolarHBondContact O-CB 3.43Å; G81-N130 PolarHBondContact N-O 3.14Å
82K96.3Very high94.5Very high17 Ų1726.3 Ų26.37%0.07415%0.147CC..EExtended strand (participates in β ladder)trans-151.2171.2-176.266-175.7179.9-165.80111I26 K28 Y29 Q34 I89I26-K82 WeakPolarHBondContact O-CE 3.35Å; I26-K82 PolarHBondContact O-NZ 2.98Å; K28-K82 PolarHBondContact O-NZ 2.82Å; Y29-K82 HydrophobicContact CD2-CD 4.19Å; Y29-K82 HydrophobicContact CE2-CB 4.34Å; Q34-K82 HydrophobicContact CG-CB 4.45Å; K82-I89 HydrophobicContact CG-CB 4.11Å; K82-I89 HydrophobicContact CG-CD1 4.37Å; K82-I89 PolarHBondContact N-O 3.02Å; K82-I89 PolarHBondContact O-N 3.09Å
83V96.7Very high94.9Very high2 Ų220 Ų201%0.01211%0.113CC..EExtended strand (participates in β ladder)trans-111.7143175-680000110.8Q34 I37 F50 I132 P162Q34-V83 PolarHBondContact NE2-O 3.29Å; Q34-V83 VanDerWaalsContact OE1-N 3.16Å; I37-V83 HydrophobicContact CB-CG2 4.28Å; I37-V83 HydrophobicContact CD1-CG2 4.31Å; I37-V83 HydrophobicContact CG2-CG2 3.54Å; F50-V83 HydrophobicContact CE1-CB 4.35Å; F50-V83 HydrophobicContact CE1-CG1 3.88Å; F50-V83 HydrophobicContact CZ-CG1 3.95Å; V83-I132 HydrophobicContact CG1-CD1 3.72Å; V83-P162 HydrophobicContact CG1-CB 4.04Å; V83-P162 HydrophobicContact CG1-CG 3.63Å
84D95.1Very high95.2Very high82 Ų8215.3 Ų15.344%0.4399%0.088SC..EExtended strand (participates in β ladder)trans-141.3104.6173.3-174.624.2000109.5E86 T87 I89D84-E86 PolarHBondContact O-N 3.02Å; D84-T87 PolarHBondContact N-O 3.34Å; D84-T87 WeakPolarHBondContact O-CB 3.32Å; D84-T87 PolarHBondContact O-N 3.46Å; D84-I89 HydrophobicContact CB-CD1 3.72Å
85G95Very high95.3Very high34 Ų3416.1 Ų16.135%0.35110%0.098SC..THydrogen-bonded Turntrans55.6-126.3-170.800000111.9Y49 T87Y49-G85 WeakPolarHBondContact CE1-O 3.34Å; Y49-G85 VanDerWaalsContact CZ-O 3.32Å; Y49-G85 PolarHBondContact OH-O 2.96Å; G85-T87 PolarHBondContact O-N 2.68Å
86E97.3Very high95.2Very high64 Ų6415.5 Ų15.530%0.2999%0.094SC..THydrogen-bonded Turntrans-83.37.3178-58.7-173.3148.500113.2Y49 F50 K51 Y52 D84Y49-E86 HydrophobicContact CE2-CG 4.28Å; Y49-E86 WeakPolarHBondContact O-CB 3.32Å; Y49-E86 VanDerWaalsContact O-CG 3.24Å; Y49-E86 WeakPolarHBondContact O-CG 3.42Å; F50-E86 WeakPolarHBondContact CA-O 3.39Å; K51-E86 WeakPolarHBondContact CD-OE2 3.27Å; K51-E86 PolarHBondContact N-O 2.87Å; K51-E86 IonicContact NZ-OE1 3.76Å; K51-E86 PolarHBondContact NZ-OE1 3.26Å; K51-E86 IonicContact NZ-OE2 3.57Å; K51-E86 PolarHBondContact NZ-OE2 3.04Å; Y52-E86 HydrophobicContact CD2-CB 4.37Å; Y52-E86 PolarHBondContact N-O 3.01Å; D84-E86 PolarHBondContact O-N 3.02Å
87T97.8Very high94.7Very high20 Ų2019.7 Ų19.712%0.12312%0.122CC..EExtended strand (participates in β ladder)trans-109.4127.6-175.4-51.70000111.6Y52 K54 D84 G85 I89Y52-T87 WeakPolarHBondContact O-CA 3.43Å; K54-T87 HydrophobicContact CB-CG2 4.14Å; K54-T87 HydrophobicContact CD-CG2 3.9Å; K54-T87 HydrophobicContact CG-CG2 3.82Å; D84-T87 PolarHBondContact N-O 3.34Å; D84-T87 WeakPolarHBondContact O-CB 3.32Å; D84-T87 PolarHBondContact O-N 3.46Å; G85-T87 PolarHBondContact O-N 2.68Å; T87-I89 HydrophobicContact CG2-CG1 4.05Å
88M98.3Very high93.8Very high0 Ų020.9 Ų20.90%013%0.13CC..EExtended strand (participates in β ladder)trans-91.2124.8167.7-58-170.770.800109.1F50 Y52 C53 K54 I132 P162 V164 L222F50-M88 HydrophobicContact CB-CG 4.31Å; F50-M88 HydrophobicContact CB-SD 4.31Å; F50-M88 HydrophobicContact CD1-CG 3.45Å; F50-M88 VanDerWaalsContact CD1-CG 3.45Å; F50-M88 HydrophobicContact CD1-SD 4.15Å; F50-M88 HydrophobicContact CD2-CG 4.47Å; F50-M88 HydrophobicContact CD2-SD 4.12Å; F50-M88 HydrophobicContact CE1-CG 3.78Å; F50-M88 HydrophobicContact CE2-SD 4.46Å; F50-M88 HydrophobicContact CG-CG 3.84Å; F50-M88 HydrophobicContact CG-SD 3.94Å; F50-M88 HydrophobicContact CZ-CG 4.41Å; Y52-M88 PolarHBondContact O-N 3.08Å; C53-M88 CarbonylContact C-O 3.51Å; C53-M88 WeakPolarHBondContact CA-O 3.4Å; K54-M88 PolarHBondContact N-O 3.28Å; M88-I132 HydrophobicContact CE-CD1 3.68Å; M88-I132 HydrophobicContact CE-CG1 3.85Å; M88-I132 WeakPolarHBondContact CE-O 3.44Å; M88-P162 HydrophobicContact CE-CB 4.25Å; M88-V164 HydrophobicContact CE-CB 3.76Å; M88-V164 HydrophobicContact CE-CG1 3.9Å; M88-V164 HydrophobicContact SD-CB 3.74Å; M88-V164 HydrophobicContact SD-CG1 4.27Å; M88-V164 HydrophobicContact SD-CG2 4.41Å; M88-L222 HydrophobicContact SD-CD2 4.36Å
89I97.9Very high92.5Very high3 Ų328 Ų282%0.01516%0.162CC..EExtended strand (participates in β ladder)trans-111.9113.7-175.1-54.9174.3000109I26 K54 G81 K82 D84 T87 M91 F227I26-I89 HydrophobicContact CD1-CD1 4.28Å; I26-I89 HydrophobicContact CD1-CG2 4.13Å; I26-I89 HydrophobicContact CG1-CD1 4.16Å; I26-I89 HydrophobicContact CG1-CG2 4.21Å; K54-I89 HydrophobicContact CB-CG1 4.29Å; K54-I89 HydrophobicContact CB-CG2 4.45Å; K54-I89 CarbonylContact O-C 3.56Å; K54-I89 WeakPolarHBondContact O-CA 3.1Å; G81-I89 CarbonylContact C-O 3.52Å; G81-I89 WeakPolarHBondContact CA-O 3.32Å; K82-I89 HydrophobicContact CG-CB 4.11Å; K82-I89 HydrophobicContact CG-CD1 4.37Å; K82-I89 PolarHBondContact N-O 3.02Å; K82-I89 PolarHBondContact O-N 3.09Å; D84-I89 HydrophobicContact CB-CD1 3.72Å; T87-I89 HydrophobicContact CG2-CG1 4.05Å; I89-M91 HydrophobicContact CG2-CG 4.35Å; I89-M91 HydrophobicContact CG2-SD 3.66Å; I89-F227 HydrophobicContact CG2-CE1 3.88Å; I89-F227 HydrophobicContact CG2-CZ 3.84Å
90I98.2Very high90.8Very high0 Ų028.6 Ų28.60%017%0.169CC..EExtended strand (participates in β ladder)trans-92111.6174.4-66.2155.3000108.5K54 I55 S56 A59 M79 I132 V164 V166K54-I90 PolarHBondContact O-N 2.96Å; I55-I90 HydrophobicContact CD1-CD1 4.19Å; I55-I90 HydrophobicContact CG1-CB 4.4Å; I55-I90 HydrophobicContact CG1-CD1 3.83Å; I55-I90 HydrophobicContact CG2-CB 4.43Å; I55-I90 HydrophobicContact CG2-CG2 4.29Å; S56-I90 WeakPolarHBondContact CB-O 3.23Å; S56-I90 PolarHBondContact N-O 2.84Å; A59-I90 HydrophobicContact CB-CG2 3.73Å; M79-I90 HydrophobicContact CB-CG1 4.33Å; M79-I90 HydrophobicContact CB-CG2 4.07Å; M79-I90 HydrophobicContact CE-CD1 3.67Å; M79-I90 HydrophobicContact CE-CG1 4.21Å; M79-I90 HydrophobicContact CG-CG2 4.32Å; M79-I90 HydrophobicContact SD-CD1 3.44Å; M79-I90 WeakPolarHBondContact SD-CD1 3.47Å; M79-I90 HydrophobicContact SD-CG1 3.97Å; M79-I90 HydrophobicContact SD-CG2 4.1Å; I90-I132 HydrophobicContact CG1-CG2 3.87Å; I90-V164 HydrophobicContact CD1-CG1 4.34Å; I90-V166 HydrophobicContact CD1-CG2 4.08Å
91M95.2Very high88.8Confident16 Ų1630.9 Ų30.98%0.07918%0.183CC..EExtended strand (participates in β ladder)trans-90.6-40.9-178.9-64.9-58.4-65.100111.4Y27 S56 L80 I89 E129 F227Y27-M91 HydrophobicContact CD1-CE 3.33Å; Y27-M91 HydrophobicContact CE1-CE 3.87Å; Y27-M91 HydrophobicContact CG-CE 3.9Å; S56-M91 WeakPolarHBondContact CB-O 3.28Å; S56-M91 PolarHBondContact OG-O 2.88Å; L80-M91 PolarHBondContact O-N 3.16Å; I89-M91 HydrophobicContact CG2-CG 4.35Å; I89-M91 HydrophobicContact CG2-SD 3.66Å; M91-E129 HydrophobicContact CB-CG 4.17Å; M91-E129 HydrophobicContact CG-CG 3.88Å; M91-F227 HydrophobicContact CE-CE2 4.46Å; M91-F227 HydrophobicContact SD-CE2 4.13Å; M91-F227 HydrophobicContact SD-CZ 3.66Å
92D95.1Very high86.9Confident12 Ų1233.8 Ų33.86%0.06420%0.195CC..EExtended strand (participates in β ladder)trans-148.7167.6-177.9-154.327.8000112.9K62 M79 L80 R127K62-D92 WeakPolarHBondContact CE-OD1 3.33Å; K62-D92 IonicContact NZ-OD1 3.1Å; K62-D92 PolarHBondContact NZ-OD1 2.97Å; K62-D92 IonicContact NZ-OD2 3.68Å; K62-D92 PolarHBondContact NZ-OD2 2.9Å; M79-D92 WeakPolarHBondContact CA-O 3.45Å; L80-D92 HydrophobicContact CB-CB 4.44Å; L80-D92 PolarHBondContact N-O 2.85Å; L80-D92 PolarHBondContact O-N 3.16Å; D92-R127 IonicContact OD2-CZ 3.84Å; D92-R127 VanDerWaalsContact OD2-CZ 3.24Å; D92-R127 IonicContact OD2-NH1 3.82Å; D92-R127 PolarHBondContact OD2-NH1 2.84Å; D92-R127 IonicContact OD2-NH2 3.61Å; D92-R127 PolarHBondContact OD2-NH2 3.38Å
93S95.1Very high84.9Confident0 Ų038.5 Ų38.50%023%0.226CC..EExtended strand (participates in β ladder)trans-145.1156.2177.961.50000112.5A59 K62 M63 L78A59-S93 PolarHBondContact O-OG 3.12Å; K62-S93 WeakPolarHBondContact CE-O 3.47Å; K62-S93 PolarHBondContact NZ-O 3.38Å; M63-S93 WeakPolarHBondContact CG-OG 3.49Å; L78-S93 CarbonylContact O-C 3.59Å; L78-S93 VanDerWaalsContact O-CA 3.31Å; L78-S93 WeakPolarHBondContact O-CA 3.47Å
94F92.5Very high83.1Confident12 Ų1246.6 Ų46.65%0.05326%0.256CS..EExtended strand (participates in β ladder)trans-145.8148.7172.762.6-86.9000111.7G77 L78 L80 L96 Y114 Y118G77-F94 CarbonylContact C-O 3.57Å; G77-F94 WeakPolarHBondContact CA-O 3.44Å; L78-F94 HydrophobicContact CB-CD1 4.37Å; L78-F94 HydrophobicContact CB-CE1 3.74Å; L78-F94 HydrophobicContact CB-CE2 4.01Å; L78-F94 HydrophobicContact CB-CZ 3.54Å; L78-F94 HydrophobicContact CD2-CE1 4.23Å; L78-F94 HydrophobicContact CD2-CZ 3.81Å; L78-F94 HydrophobicContact CG-CZ 4.33Å; L78-F94 PolarHBondContact N-O 2.92Å; L78-F94 PolarHBondContact O-N 3.33Å; L80-F94 HydrophobicContact CD1-CD1 4.46Å; L80-F94 HydrophobicContact CD1-CE1 4.31Å; L80-F94 HydrophobicContact CD2-CE1 4.05Å; L80-F94 HydrophobicContact CG-CD1 4.36Å; L80-F94 HydrophobicContact CG-CE1 4.06Å; F94-L96 HydrophobicContact CD2-CD2 4.26Å; F94-L96 HydrophobicContact CE2-CD2 3.71Å; F94-Y114 AromaticContact CD2-CE1 3.87Å; F94-Y114 HydrophobicContact CD2-CE1 3.87Å; F94-Y114 HydrophobicContact CE2-CD1 4.21Å; F94-Y114 AromaticContact CE2-CE1 3.91Å; F94-Y114 HydrophobicContact CE2-CE1 3.91Å; F94-Y118 HydrophobicContact CB-CE1 4.09Å; F94-Y118 HydrophobicContact CB-CE2 3.84Å; F94-Y118 AromaticContact CD1-CD1 3.48Å; F94-Y118 HydrophobicContact CD1-CD1 3.48Å; F94-Y118 VanDerWaalsContact CD1-CD1 3.48Å; F94-Y118 AromaticContact CD1-CE1 3.16Å; F94-Y118 HydrophobicContact CD1-CE1 3.16Å; F94-Y118 HydrophobicContact CD1-CE2 4.32Å; F94-Y118 HydrophobicContact CD1-CG 4.19Å; F94-Y118 AromaticContact CD1-CZ 3.64Å; F94-Y118 HydrophobicContact CD2-CD1 4.05Å; F94-Y118 AromaticContact CD2-CD2 3.97Å; F94-Y118 HydrophobicContact CD2-CD2 3.97Å; F94-Y118 HydrophobicContact CD2-CE1 4.24Å; F94-Y118 HydrophobicContact CD2-CE2 4.15Å; F94-Y118 AromaticContact CD2-CG 3.92Å; F94-Y118 HydrophobicContact CD2-CG 3.92Å; F94-Y118 AromaticContact CE1-CD1 3.3Å; F94-Y118 HydrophobicContact CE1-CD1 3.3Å; F94-Y118 AromaticContact CE1-CE1 3.48Å; F94-Y118 HydrophobicContact CE1-CE1 3.48Å; F94-Y118 VanDerWaalsContact CE1-CE1 3.48Å; F94-Y118 HydrophobicContact CE1-CG 4.07Å; F94-Y118 AromaticContact CE2-CD1 3.89Å; F94-Y118 HydrophobicContact CE2-CD1 3.89Å; F94-Y118 HydrophobicContact CE2-CD2 4.26Å; F94-Y118 HydrophobicContact CE2-CE1 4.48Å; F94-Y118 AromaticContact CE2-CG 3.78Å; F94-Y118 HydrophobicContact CE2-CG 3.78Å; F94-Y118 AromaticContact CG-CD1 3.84Å; F94-Y118 HydrophobicContact CG-CD1 3.84Å; F94-Y118 HydrophobicContact CG-CD2 4.12Å; F94-Y118 AromaticContact CG-CE1 3.58Å; F94-Y118 HydrophobicContact CG-CE1 3.58Å; F94-Y118 AromaticContact CG-CE2 3.86Å; F94-Y118 HydrophobicContact CG-CE2 3.86Å; F94-Y118 HydrophobicContact CG-CG 4.11Å; F94-Y118 AromaticContact CG-CZ 3.59Å; F94-Y118 AromaticContact CZ-CD1 3.51Å; F94-Y118 HydrophobicContact CZ-CD1 3.51Å; F94-Y118 HydrophobicContact CZ-CE1 4.13Å; F94-Y118 AromaticContact CZ-CG 3.85Å; F94-Y118 HydrophobicContact CZ-CG 3.85Å
95A92.1Very high81Confident39 Ų3946.3 Ų46.332%0.32226%0.257SS..EExtended strand (participates in β ladder)trans-72.2141.717800000110.5H66H66-A95 WeakPolarHBondContact CE1-CB 3.37Å
96L89.5Confident79.3Confident5 Ų548.1 Ų48.13%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-94.7142.2166.4-66177.4000108.7M76 F94 V98 A111 Y114 M115M76-L96 PolarHBondContact O-N 3.29Å; M76-L96 VanDerWaalsContact O-N 3.09Å; F94-L96 HydrophobicContact CD2-CD2 4.26Å; F94-L96 HydrophobicContact CE2-CD2 3.71Å; L96-V98 HydrophobicContact CB-CG2 3.83Å; L96-V98 PolarHBondContact O-N 3.21Å; L96-A111 HydrophobicContact CB-CB 4.28Å; L96-A111 HydrophobicContact CD1-CB 4.13Å; L96-A111 HydrophobicContact CD2-CB 4.04Å; L96-A111 HydrophobicContact CG-CB 4.36Å; L96-Y114 HydrophobicContact CD2-CD1 3.83Å; L96-Y114 HydrophobicContact CD2-CE1 4.29Å; L96-M115 HydrophobicContact CD1-CG 4.49Å; L96-M115 HydrophobicContact CD1-SD 4.09Å; L96-M115 HydrophobicContact CD2-CG 3.57Å; L96-M115 HydrophobicContact CD2-SD 4.23Å
97P82.1Confident77.3Confident98 Ų9845.8 Ų45.864%0.63625%0.25SS*.EExtended strand (participates in β ladder)trans-77.654.3179.334.6-36.9000110.8Y114P97-Y114 HydrophobicContact CG-CD2 4.16Å; P97-Y114 HydrophobicContact CG-CG 4.2Å
98V73.8Confident75.4Confident25 Ų2544.9 Ų44.915%0.15225%0.245CC..EExtended strand (participates in β ladder)trans-131.9131-179-58.60000108.5M76 L96 G100 A107 A110 A111M76-V98 HydrophobicContact CG-CG2 3.33Å; M76-V98 HydrophobicContact SD-CG2 3.52Å; M76-V98 VanDerWaalsContact SD-CG2 3.52Å; L96-V98 HydrophobicContact CB-CG2 3.83Å; L96-V98 PolarHBondContact O-N 3.21Å; V98-G100 PolarHBondContact O-N 3.16Å; V98-A107 HydrophobicContact CG2-CB 4.3Å; V98-A110 HydrophobicContact CG1-CB 4.43Å; V98-A111 HydrophobicContact CG1-CB 4Å
99E66Low73.7Confident150 Ų15047 Ų4770%0.70126%0.262SS*.EExtended strand (participates in β ladder)trans-73.7118.6168.3-70.1179.8175.300107.8T101E99-T101 PolarHBondContact O-N 2.68Å; E99-T101 VanDerWaalsContact O-N 3.14Å
100G60.2Low72.2Confident13 Ų1351.1 Ų51.113%0.13430%0.297CS..EExtended strand (participates in β ladder)trans-63.5114.3170.400000107.1E74 V98E74-G100 WeakPolarHBondContact O-CA 3.47Å; E74-G100 PolarHBondContact O-N 3.11Å; V98-G100 PolarHBondContact O-N 3.16Å
101T55.1Low70.9Confident52 Ų5251.1 Ų51.132%0.31930%0.297SS..  trans-121.7126.316738.80000105.3E99 T103 R104E99-T101 PolarHBondContact O-N 2.68Å; E99-T101 VanDerWaalsContact O-N 3.14Å; T101-T103 PolarHBondContact O-N 3.02Å; T101-R104 PolarHBondContact O-N 2.81Å; T101-R104 WeakPolarHBondContact OG1-CD 3.43Å; T101-R104 WeakPolarHBondContact OG1-CG 3.23Å
102E55.9Low69.9Low65 Ų6555.3 Ų55.330%0.30431%0.313SS..THydrogen-bonded Turntrans-54.34.7169.4-60.4-179140.500113.7E74 I148 K208E74-E102 WeakPolarHBondContact OE1-CG 2.9Å; E74-E102 WeakPolarHBondContact OE2-CG 3.34Å; E74-E102 PolarHBondContact OE2-N 3.31Å; E102-I148 WeakPolarHBondContact O-CD1 3.35Å; E102-K208 WeakPolarHBondContact OE1-CE 3.43Å; E102-K208 IonicContact OE1-NZ 2.73Å; E102-K208 PolarHBondContact OE1-NZ 3.33Å; E102-K208 IonicContact OE2-NZ 3.89Å; E102-K208 PolarHBondContact OE2-NZ 3.3Å
103T53.9Low69.1Low116 Ų11663 Ų6371%0.71235%0.348SS*.THydrogen-bonded Turntrans-107.7-7.617758.40000112.8T101T101-T103 PolarHBondContact O-N 3.02Å
104R59Low68.6Low172 Ų17268 Ų6865%0.64937%0.368SS*.  trans-110.598.2-176.1-70-173.2-176.2-171.33.7112T101 N106T101-R104 PolarHBondContact O-N 2.81Å; T101-R104 WeakPolarHBondContact OG1-CD 3.43Å; T101-R104 WeakPolarHBondContact OG1-CG 3.23Å; R104-N106 PolarHBondContact O-N 3.06Å
105V51.5Low68.2Low76 Ų7667.9 Ų67.946%0.46137%0.368SS..THydrogen-bonded Turntrans-55.2-23.5-179.6-177.80000114.4T152V105-T152 PolarHBondContact O-OG1 3.31Å
106N57.8Low67.7Low72 Ų7269.1 Ų69.139%0.38538%0.377SS..THydrogen-bonded Turntrans-14454.8-176.7-158.6-4.4000112.6R104 Q108 A109R104-N106 PolarHBondContact O-N 3.06Å; N106-Q108 PolarHBondContact O-N 3Å; N106-Q108 VanDerWaalsContact O-N 3.15Å; N106-A109 HydrophobicContact CB-CB 4.31Å; N106-A109 WeakPolarHBondContact O-CB 3.18Å; N106-A109 PolarHBondContact O-N 3.25Å; N106-A109 PolarHBondContact OD1-N 2.86Å
107A57.2Low67.6Low15 Ų1571 Ų7112%0.12439%0.394CS..THydrogen-bonded Turntrans-56-25.8172.400000112.5M76 V98 A109 A110M76-A107 HydrophobicContact SD-CB 3.54Å; M76-A107 VanDerWaalsContact SD-CB 3.54Å; V98-A107 HydrophobicContact CG2-CB 4.3Å; A107-A109 VanDerWaalsContact C-N 3.29Å; A107-A109 PolarHBondContact O-N 3.44Å; A107-A110 PolarHBondContact O-N 2.87Å
108Q57Low67.8Low2 Ų268.6 Ų68.61%0.00937%0.372CS..THydrogen-bonded Turntrans-64-30.5174.5-60.8-176.1-5.500113.1M76 N106 A110 A111 Y112 M115 N156M76-Q108 HydrophobicContact CE-CG 3.44Å; M76-Q108 VanDerWaalsContact CE-CG 3.44Å; N106-Q108 PolarHBondContact O-N 3Å; N106-Q108 VanDerWaalsContact O-N 3.15Å; Q108-A110 VanDerWaalsContact C-N 3.31Å; Q108-A110 PolarHBondContact O-N 3.37Å; Q108-A111 CarbonylContact O-C 3.52Å; Q108-A111 WeakPolarHBondContact O-CA 3.48Å; Q108-A111 PolarHBondContact O-N 3.04Å; Q108-Y112 PolarHBondContact O-N 2.68Å; Q108-Y112 VanDerWaalsContact O-N 3.13Å; Q108-M115 HydrophobicContact CB-CE 4.27Å; Q108-M115 WeakPolarHBondContact O-CE 3.48Å; Q108-N156 PolarHBondContact NE2-ND2 3.35Å; Q108-N156 PolarHBondContact OE1-ND2 2.96Å; Q108-N156 PolarHBondContact OE1-OD1 3.44Å
109A63.1Low68.4Low44 Ų4469.1 Ų69.136%0.36437%0.374SS..G310 helixtrans-64.9-35.5-178.800000113.4N106 A107 A111 Y112N106-A109 HydrophobicContact CB-CB 4.31Å; N106-A109 WeakPolarHBondContact O-CB 3.18Å; N106-A109 PolarHBondContact O-N 3.25Å; N106-A109 PolarHBondContact OD1-N 2.86Å; A107-A109 VanDerWaalsContact C-N 3.29Å; A107-A109 PolarHBondContact O-N 3.44Å; A109-A111 PolarHBondContact O-N 2.61Å; A109-Y112 VanDerWaalsContact CA-CD2 3.41Å; A109-Y112 VanDerWaalsContact CA-CE2 3.5Å; A109-Y112 HydrophobicContact CB-CD2 4.03Å; A109-Y112 HydrophobicContact CB-CE2 3.82Å; A109-Y112 PolarHBondContact O-N 3.2Å
110A66Low69.5Low89 Ų8967.9 Ų67.974%0.73637%0.368SS*.G310 helixtrans-67.6-15.4173.600000112.6V98 A107 Q108V98-A110 HydrophobicContact CG1-CB 4.43Å; A107-A110 PolarHBondContact O-N 2.87Å; Q108-A110 VanDerWaalsContact C-N 3.31Å; Q108-A110 PolarHBondContact O-N 3.37Å
111A71.4Confident70.9Confident1 Ų171.6 Ų71.61%0.00839%0.385CS..G310 helixtrans-111.25.8-178.100000113.7L96 V98 Q108 A109 E113 Y114 M115L96-A111 HydrophobicContact CB-CB 4.28Å; L96-A111 HydrophobicContact CD1-CB 4.13Å; L96-A111 HydrophobicContact CD2-CB 4.04Å; L96-A111 HydrophobicContact CG-CB 4.36Å; V98-A111 HydrophobicContact CG1-CB 4Å; Q108-A111 CarbonylContact O-C 3.52Å; Q108-A111 WeakPolarHBondContact O-CA 3.48Å; Q108-A111 PolarHBondContact O-N 3.04Å; A109-A111 PolarHBondContact O-N 2.61Å; A111-E113 VanDerWaalsContact C-N 3.3Å; A111-E113 PolarHBondContact O-N 3.45Å; A111-Y114 WeakPolarHBondContact O-CB 3.28Å; A111-Y114 PolarHBondContact O-N 3.3Å; A111-Y114 VanDerWaalsContact O-N 3.13Å; A111-M115 WeakPolarHBondContact O-CG 3.37Å; A111-M115 PolarHBondContact O-N 3.42Å
112Y73.4Confident72.6Confident104 Ų10469.5 Ų69.541%0.40837%0.373SS..Hα-helixtrans-57.2-42.7-179.5-84.2-50.9000112.7Q108 A109 Y114 M115 A116Q108-Y112 PolarHBondContact O-N 2.68Å; Q108-Y112 VanDerWaalsContact O-N 3.13Å; A109-Y112 VanDerWaalsContact CA-CD2 3.41Å; A109-Y112 VanDerWaalsContact CA-CE2 3.5Å; A109-Y112 HydrophobicContact CB-CD2 4.03Å; A109-Y112 HydrophobicContact CB-CE2 3.82Å; A109-Y112 PolarHBondContact O-N 3.2Å; Y112-Y114 PolarHBondContact O-N 3.31Å; Y112-M115 HydrophobicContact CD1-CE 3.27Å; Y112-M115 HydrophobicContact CE1-CE 3.65Å; Y112-M115 HydrophobicContact CG-CE 4Å; Y112-M115 PolarHBondContact O-N 3.25Å; Y112-A116 WeakPolarHBondContact O-CB 3.27Å; Y112-A116 PolarHBondContact O-N 2.93Å
113E78.6Confident74.2Confident174 Ų17471.4 Ų71.481%0.81338%0.38SS*.Hα-helixtrans-61.6-45.1176.8-65-178.6175.400111.4A111 M115 A116 A117A111-E113 VanDerWaalsContact C-N 3.3Å; A111-E113 PolarHBondContact O-N 3.45Å; E113-M115 PolarHBondContact O-N 3.41Å; E113-A116 PolarHBondContact O-N 3.46Å; E113-A117 WeakPolarHBondContact O-CB 3.3Å; E113-A117 PolarHBondContact O-N 3.36Å
114Y84.2Confident75.9Confident103 Ų10372.7 Ų72.740%0.40438%0.378SS..Hα-helixtrans-62.8-42.9176.6-175.4-88.5000111.7F94 L96 P97 A111 Y112 A117 Y118F94-Y114 AromaticContact CD2-CE1 3.87Å; F94-Y114 HydrophobicContact CD2-CE1 3.87Å; F94-Y114 HydrophobicContact CE2-CD1 4.21Å; F94-Y114 AromaticContact CE2-CE1 3.91Å; F94-Y114 HydrophobicContact CE2-CE1 3.91Å; L96-Y114 HydrophobicContact CD2-CD1 3.83Å; L96-Y114 HydrophobicContact CD2-CE1 4.29Å; P97-Y114 HydrophobicContact CG-CD2 4.16Å; P97-Y114 HydrophobicContact CG-CG 4.2Å; A111-Y114 WeakPolarHBondContact O-CB 3.28Å; A111-Y114 PolarHBondContact O-N 3.3Å; A111-Y114 VanDerWaalsContact O-N 3.13Å; Y112-Y114 PolarHBondContact O-N 3.31Å; Y114-A117 PolarHBondContact O-N 3.22Å; Y114-Y118 HydrophobicContact CE1-CD2 4.28Å; Y114-Y118 VanDerWaalsContact O-CB 3.24Å; Y114-Y118 WeakPolarHBondContact O-CB 3.44Å; Y114-Y118 PolarHBondContact O-N 3.16Å
115M83.4Confident77.4Confident11 Ų1169.8 Ų69.85%0.05438%0.379CS..Hα-helixtrans-63.2-45.6178.8-72.3-173.1-67.700111.8L78 L96 Q108 A111 Y112 E113 Y118 I119L78-M115 HydrophobicContact CD1-SD 3.74Å; L78-M115 HydrophobicContact CD2-CG 4.13Å; L78-M115 HydrophobicContact CD2-SD 3.77Å; L78-M115 HydrophobicContact CG-SD 4.29Å; L96-M115 HydrophobicContact CD1-CG 4.49Å; L96-M115 HydrophobicContact CD1-SD 4.09Å; L96-M115 HydrophobicContact CD2-CG 3.57Å; L96-M115 HydrophobicContact CD2-SD 4.23Å; Q108-M115 HydrophobicContact CB-CE 4.27Å; Q108-M115 WeakPolarHBondContact O-CE 3.48Å; A111-M115 WeakPolarHBondContact O-CG 3.37Å; A111-M115 PolarHBondContact O-N 3.42Å; Y112-M115 HydrophobicContact CD1-CE 3.27Å; Y112-M115 HydrophobicContact CE1-CE 3.65Å; Y112-M115 HydrophobicContact CG-CE 4Å; Y112-M115 PolarHBondContact O-N 3.25Å; E113-M115 PolarHBondContact O-N 3.41Å; M115-Y118 PolarHBondContact O-N 3.44Å; M115-I119 WeakPolarHBondContact O-CB 3.16Å; M115-I119 VanDerWaalsContact O-CG1 3.29Å; M115-I119 WeakPolarHBondContact O-CG1 3.49Å; M115-I119 PolarHBondContact O-N 3.27Å
116A82.5Confident79.2Confident64 Ų6468.7 Ų68.753%0.52938%0.383SS..Hα-helixtrans-61.1-49.8177.500000111.2Y112 E113 Y118 I119 E120Y112-A116 WeakPolarHBondContact O-CB 3.27Å; Y112-A116 PolarHBondContact O-N 2.93Å; E113-A116 PolarHBondContact O-N 3.46Å; A116-Y118 PolarHBondContact O-N 3.36Å; A116-I119 PolarHBondContact O-N 3.47Å; A116-E120 WeakPolarHBondContact O-CB 3.4Å; A116-E120 PolarHBondContact O-N 3.06Å
117A86.8Confident80.7Confident44 Ų4469.4 Ų69.436%0.36438%0.381SS..Hα-helixtrans-62.3-40.9178.200000112.2E113 Y114 E120 N121E113-A117 WeakPolarHBondContact O-CB 3.3Å; E113-A117 PolarHBondContact O-N 3.36Å; Y114-A117 PolarHBondContact O-N 3.22Å; A117-E120 PolarHBondContact O-N 3.2Å; A117-N121 WeakPolarHBondContact O-CB 3.4Å; A117-N121 VanDerWaalsContact O-CG 3.26Å; A117-N121 PolarHBondContact O-N 2.93Å; A117-N121 PolarHBondContact O-ND2 3.36Å
118Y87.7Confident82.2Confident49 Ų4972.9 Ų72.919%0.19240%0.397CS..Hα-helixtrans-64-47.3178.4-172.5-82.2000111.6L80 F94 Y114 M115 A116 E120 N121 A122 R127L80-Y118 HydrophobicContact CD1-CE1 4.04Å; F94-Y118 HydrophobicContact CB-CE1 4.09Å; F94-Y118 HydrophobicContact CB-CE2 3.84Å; F94-Y118 AromaticContact CD1-CD1 3.48Å; F94-Y118 HydrophobicContact CD1-CD1 3.48Å; F94-Y118 VanDerWaalsContact CD1-CD1 3.48Å; F94-Y118 AromaticContact CD1-CE1 3.16Å; F94-Y118 HydrophobicContact CD1-CE1 3.16Å; F94-Y118 HydrophobicContact CD1-CE2 4.32Å; F94-Y118 HydrophobicContact CD1-CG 4.19Å; F94-Y118 AromaticContact CD1-CZ 3.64Å; F94-Y118 HydrophobicContact CD2-CD1 4.05Å; F94-Y118 AromaticContact CD2-CD2 3.97Å; F94-Y118 HydrophobicContact CD2-CD2 3.97Å; F94-Y118 HydrophobicContact CD2-CE1 4.24Å; F94-Y118 HydrophobicContact CD2-CE2 4.15Å; F94-Y118 AromaticContact CD2-CG 3.92Å; F94-Y118 HydrophobicContact CD2-CG 3.92Å; F94-Y118 AromaticContact CE1-CD1 3.3Å; F94-Y118 HydrophobicContact CE1-CD1 3.3Å; F94-Y118 AromaticContact CE1-CE1 3.48Å; F94-Y118 HydrophobicContact CE1-CE1 3.48Å; F94-Y118 VanDerWaalsContact CE1-CE1 3.48Å; F94-Y118 HydrophobicContact CE1-CG 4.07Å; F94-Y118 AromaticContact CE2-CD1 3.89Å; F94-Y118 HydrophobicContact CE2-CD1 3.89Å; F94-Y118 HydrophobicContact CE2-CD2 4.26Å; F94-Y118 HydrophobicContact CE2-CE1 4.48Å; F94-Y118 AromaticContact CE2-CG 3.78Å; F94-Y118 HydrophobicContact CE2-CG 3.78Å; F94-Y118 AromaticContact CG-CD1 3.84Å; F94-Y118 HydrophobicContact CG-CD1 3.84Å; F94-Y118 HydrophobicContact CG-CD2 4.12Å; F94-Y118 AromaticContact CG-CE1 3.58Å; F94-Y118 HydrophobicContact CG-CE1 3.58Å; F94-Y118 AromaticContact CG-CE2 3.86Å; F94-Y118 HydrophobicContact CG-CE2 3.86Å; F94-Y118 HydrophobicContact CG-CG 4.11Å; F94-Y118 AromaticContact CG-CZ 3.59Å; F94-Y118 AromaticContact CZ-CD1 3.51Å; F94-Y118 HydrophobicContact CZ-CD1 3.51Å; F94-Y118 HydrophobicContact CZ-CE1 4.13Å; F94-Y118 AromaticContact CZ-CG 3.85Å; F94-Y118 HydrophobicContact CZ-CG 3.85Å; Y114-Y118 HydrophobicContact CE1-CD2 4.28Å; Y114-Y118 VanDerWaalsContact O-CB 3.24Å; Y114-Y118 WeakPolarHBondContact O-CB 3.44Å; Y114-Y118 PolarHBondContact O-N 3.16Å; M115-Y118 PolarHBondContact O-N 3.44Å; A116-Y118 PolarHBondContact O-N 3.36Å; Y118-E120 VanDerWaalsContact C-N 3.31Å; Y118-E120 PolarHBondContact O-N 3.4Å; Y118-N121 PolarHBondContact O-N 3.18Å; Y118-A122 HydrophobicContact CD1-CB 4.48Å; Y118-A122 HydrophobicContact CE1-CB 4.34Å; Y118-A122 VanDerWaalsContact O-CB 3.23Å; Y118-A122 WeakPolarHBondContact O-CB 3.27Å; Y118-A122 PolarHBondContact O-N 2.89Å; Y118-R127 PolarHBondContact OH-NH1 3.09Å
119I86.4Confident83.8Confident35 Ų3574.1 Ų74.118%0.17940%0.402CS..Hα-helixtrans-63.7-38.8179.4-68.5169000110.8L80 M115 A116 A122 K123 A131L80-I119 HydrophobicContact CD2-CG1 4.31Å; M115-I119 WeakPolarHBondContact O-CB 3.16Å; M115-I119 VanDerWaalsContact O-CG1 3.29Å; M115-I119 WeakPolarHBondContact O-CG1 3.49Å; M115-I119 PolarHBondContact O-N 3.27Å; A116-I119 PolarHBondContact O-N 3.47Å; I119-A122 PolarHBondContact O-N 3.06Å; I119-K123 WeakPolarHBondContact O-CG 3.43Å; I119-K123 PolarHBondContact O-N 3.25Å; I119-K123 VanDerWaalsContact O-N 3.16Å; I119-A131 HydrophobicContact CD1-CB 4.45Å
120E88.4Confident85Confident125 Ų12575.1 Ų75.158%0.58440%0.402SS*.Hα-helixtrans-63.2-49175.5-174.3174-179.700111.8A116 A117 Y118 A122 K123 Q124A116-E120 WeakPolarHBondContact O-CB 3.4Å; A116-E120 PolarHBondContact O-N 3.06Å; A117-E120 PolarHBondContact O-N 3.2Å; Y118-E120 VanDerWaalsContact C-N 3.31Å; Y118-E120 PolarHBondContact O-N 3.4Å; E120-A122 VanDerWaalsContact C-N 3.32Å; E120-A122 PolarHBondContact O-N 3.19Å; E120-K123 WeakPolarHBondContact O-CB 3.28Å; E120-K123 PolarHBondContact O-N 2.9Å; E120-Q124 PolarHBondContact O-N 3.41Å
121N90.5Very high86.3Confident90 Ų9072.2 Ų72.248%0.48138%0.378SS..Hα-helixtrans-64.5-36.4177.7-71.5-38000112.3A117 Y118 K123 Q124 V125A117-N121 WeakPolarHBondContact O-CB 3.4Å; A117-N121 VanDerWaalsContact O-CG 3.26Å; A117-N121 PolarHBondContact O-N 2.93Å; A117-N121 PolarHBondContact O-ND2 3.36Å; Y118-N121 PolarHBondContact O-N 3.18Å; N121-K123 VanDerWaalsContact C-N 3.3Å; N121-K123 PolarHBondContact O-N 2.66Å; N121-Q124 WeakPolarHBondContact O-CB 3.41Å; N121-Q124 PolarHBondContact O-N 3.38Å; N121-V125 PolarHBondContact O-N 3.22Å
122A89.3Confident87.5Confident8 Ų872.4 Ų72.47%0.06638%0.379CS..Hα-helixtrans-60.7-40.417600000111.4Y118 I119 E120 Q124 V125 G126 R127Y118-A122 HydrophobicContact CD1-CB 4.48Å; Y118-A122 HydrophobicContact CE1-CB 4.34Å; Y118-A122 VanDerWaalsContact O-CB 3.23Å; Y118-A122 WeakPolarHBondContact O-CB 3.27Å; Y118-A122 PolarHBondContact O-N 2.89Å; I119-A122 PolarHBondContact O-N 3.06Å; E120-A122 VanDerWaalsContact C-N 3.32Å; E120-A122 PolarHBondContact O-N 3.19Å; A122-Q124 VanDerWaalsContact C-N 3.33Å; A122-Q124 PolarHBondContact O-N 3.33Å; A122-V125 WeakPolarHBondContact O-CG2 3.43Å; A122-V125 PolarHBondContact O-N 3.34Å; A122-G126 PolarHBondContact O-N 3.19Å; A122-R127 HydrophobicContact CB-CB 4.03Å; A122-R127 WeakPolarHBondContact O-CB 3.38Å; A122-R127 PolarHBondContact O-N 3.32Å
123K89.2Confident88.6Confident106 Ų10667.5 Ų67.546%0.46136%0.359SS..Hα-helixtrans-64-36.7176-72.1170.4-177.3174.30112.6I119 E120 N121 V125 G126 R127I119-K123 WeakPolarHBondContact O-CG 3.43Å; I119-K123 PolarHBondContact O-N 3.25Å; I119-K123 VanDerWaalsContact O-N 3.16Å; E120-K123 WeakPolarHBondContact O-CB 3.28Å; E120-K123 PolarHBondContact O-N 2.9Å; N121-K123 VanDerWaalsContact C-N 3.3Å; N121-K123 PolarHBondContact O-N 2.66Å; K123-V125 PolarHBondContact O-N 2.82Å; K123-G126 PolarHBondContact O-N 2.86Å; K123-G126 VanDerWaalsContact O-N 3.11Å; K123-R127 WeakPolarHBondContact CA-O 3.3Å
124Q91.1Very high89.4Confident142 Ų14259.5 Ų59.566%0.66432%0.322SS*.Hα-helixtrans-63.6-28.6178-64.1179.322.900112.7E120 N121 A122E120-Q124 PolarHBondContact O-N 3.41Å; N121-Q124 WeakPolarHBondContact O-CB 3.41Å; N121-Q124 PolarHBondContact O-N 3.38Å; A122-Q124 VanDerWaalsContact C-N 3.33Å; A122-Q124 PolarHBondContact O-N 3.33Å
125V90.9Very high90Very high112 Ų11254.7 Ų54.768%0.67930%0.303SS*.THydrogen-bonded Turntrans-97.115.1176.8-58.50000113.4N121 A122 K123 R127N121-V125 PolarHBondContact O-N 3.22Å; A122-V125 WeakPolarHBondContact O-CG2 3.43Å; A122-V125 PolarHBondContact O-N 3.34Å; K123-V125 PolarHBondContact O-N 2.82Å; V125-R127 HydrophobicContact CG2-CG 4.29Å
126G87.9Confident90.6Very high53 Ų5354.5 Ų54.555%0.54630%0.302SS..THydrogen-bonded Turntrans8115.5174.300000115.5A122 K123A122-G126 PolarHBondContact O-N 3.19Å; K123-G126 PolarHBondContact O-N 2.86Å; K123-G126 VanDerWaalsContact O-N 3.11Å
127R89.6Confident91.1Very high87 Ų8751.4 Ų51.433%0.32828%0.276SS..  trans-84.8110.6168-63174.9174.8-157.3-13.1108.7D92 Y118 A122 K123 V125D92-R127 IonicContact OD2-CZ 3.84Å; D92-R127 VanDerWaalsContact OD2-CZ 3.24Å; D92-R127 IonicContact OD2-NH1 3.82Å; D92-R127 PolarHBondContact OD2-NH1 2.84Å; D92-R127 IonicContact OD2-NH2 3.61Å; D92-R127 PolarHBondContact OD2-NH2 3.38Å; Y118-R127 PolarHBondContact OH-NH1 3.09Å; A122-R127 HydrophobicContact CB-CB 4.03Å; A122-R127 WeakPolarHBondContact O-CB 3.38Å; A122-R127 PolarHBondContact O-N 3.32Å; K123-R127 WeakPolarHBondContact CA-O 3.3Å; V125-R127 HydrophobicContact CG2-CG 4.29Å
128L89.6Confident91.5Very high88 Ų8849.3 Ų49.346%0.46126%0.259SS..  trans-97.7-17.4-168.1-58.2179.9000112.8Y29Y29-L128 HydrophobicContact CD1-CB 3.55Å; Y29-L128 HydrophobicContact CD1-CD1 3.88Å; Y29-L128 HydrophobicContact CD1-CG 4.38Å; Y29-L128 HydrophobicContact CD2-CB 4.47Å; Y29-L128 HydrophobicContact CE1-CB 3.8Å; Y29-L128 HydrophobicContact CG-CB 3.91Å; Y29-L128 HydrophobicContact CG-CD1 4.42Å
129E89.8Confident91.7Very high28 Ų2847.7 Ų47.713%0.13126%0.255CS..  trans-64.9139.3178.4-66.984.2175.100112Y29 L80 G81 M91Y29-E129 HydrophobicContact CD2-CG 3.98Å; Y29-E129 HydrophobicContact CE2-CG 4.13Å; L80-E129 HydrophobicContact CB-CB 4.29Å; G81-E129 WeakPolarHBondContact O-CB 3.43Å; M91-E129 HydrophobicContact CB-CG 4.17Å; M91-E129 HydrophobicContact CG-CG 3.88Å
130N89.4Confident91.9Very high65 Ų6546.4 Ų46.435%0.34825%0.25SC..EExtended strand (participates in β ladder)trans-94.1177.7174.1-60.8-59.9000110.3L80 G81 I132L80-N130 CarbonylContact C-O 3.56Å; L80-N130 WeakPolarHBondContact CA-O 3.47Å; G81-N130 PolarHBondContact N-O 3.14Å; N130-I132 PolarHBondContact O-N 3.03Å
131A92.8Very high92Very high28 Ų2841.8 Ų41.823%0.23123%0.227CC..EExtended strand (participates in β ladder)trans-58.9131.4172.100000110.6L78 M79 I119 F163L78-A131 HydrophobicContact CD2-CB 3.85Å; L78-A131 HydrophobicContact CG-CB 4.49Å; M79-A131 WeakPolarHBondContact O-CA 3.16Å; I119-A131 HydrophobicContact CD1-CB 4.45Å; A131-F163 HydrophobicContact CB-CE2 4.25Å
132I96.8Very high92.1Very high5 Ų537.5 Ų37.53%0.02620%0.204CC..EExtended strand (participates in β ladder)trans-119.1-10.7178.5-165.155.2000112.2M79 V83 M88 I90 N130 P162 F163 V164M79-I132 HydrophobicContact CB-CG2 4.04Å; M79-I132 PolarHBondContact O-N 3.41Å; V83-I132 HydrophobicContact CG1-CD1 3.72Å; M88-I132 HydrophobicContact CE-CD1 3.68Å; M88-I132 HydrophobicContact CE-CG1 3.85Å; M88-I132 WeakPolarHBondContact CE-O 3.44Å; I90-I132 HydrophobicContact CG1-CG2 3.87Å; N130-I132 PolarHBondContact O-N 3.03Å; I132-P162 HydrophobicContact CD1-CG 4.11Å; I132-F163 CarbonylContact O-C 3.52Å; I132-F163 WeakPolarHBondContact O-CA 3.12Å; I132-V164 PolarHBondContact O-N 3.16Å
133G96.3Very high92.3Very high0 Ų037.2 Ų37.20%020%0.202CC..EExtended strand (participates in β ladder)trans170.9-176-17600000113M79 V164M79-G133 PolarHBondContact N-O 2.73Å; G133-V164 CarbonylContact C-O 3.56Å; G133-V164 WeakPolarHBondContact CA-O 3.34Å
134W95.7Very high92.6Very high7 Ų732.3 Ų32.33%0.02718%0.18CC..EExtended strand (participates in β ladder)trans-130155.3174.468.9-62.5000109.9M76 G77 L78 M79 H136 D149 T152 F163 V164 A165 V166M76-W134 HydrophobicContact CE-CE3 3.69Å; M76-W134 HydrophobicContact CE-CZ3 3.96Å; G77-W134 WeakPolarHBondContact O-CA 3.38Å; L78-W134 HydrophobicContact CD1-CB 4.2Å; M79-W134 VanDerWaalsContact CE-O 3.31Å; M79-W134 WeakPolarHBondContact CE-O 3.09Å; W134-H136 HydrophobicContact CE3-CB 4.31Å; W134-H136 AromaticContact CE3-ND1 3.7Å; W134-H136 AromaticContact CH2-CE1 3.54Å; W134-H136 AromaticContact CH2-ND1 3.2Å; W134-H136 WeakPolarHBondContact CH2-ND1 3.18Å; W134-H136 AromaticContact CZ2-ND1 3.95Å; W134-H136 HydrophobicContact CZ3-CB 3.87Å; W134-H136 AromaticContact CZ3-CE1 3.87Å; W134-H136 AromaticContact CZ3-CG 3.66Å; W134-H136 AromaticContact CZ3-ND1 3.05Å; W134-H136 WeakPolarHBondContact CZ3-ND1 3.35Å; W134-D149 HydrophobicContact CH2-CB 4.31Å; W134-D149 HydrophobicContact CZ2-CB 4.44Å; W134-T152 HydrophobicContact CH2-CG2 4.36Å; W134-T152 HydrophobicContact CZ2-CG2 4.14Å; W134-F163 HydrophobicContact CB-CE1 3.94Å; W134-F163 HydrophobicContact CB-CZ 4.43Å; W134-F163 AromaticContact CD1-CD1 3.76Å; W134-F163 AromaticContact CD1-CE1 3.41Å; W134-F163 VanDerWaalsContact CD1-CE1 3.41Å; W134-F163 AromaticContact CG-CE1 3.97Å; W134-F163 HydrophobicContact CG-CE1 3.97Å; W134-V164 PolarHBondContact N-O 2.76Å; W134-A165 HydrophobicContact CZ2-CB 4.17Å; W134-A165 WeakPolarHBondContact O-CA 3.44Å; W134-V166 PolarHBondContact O-N 3.09Å
135Y96.6Very high92.7Very high2 Ų225.5 Ų25.51%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-126.3152.217274.8-83.4000110.7M63 H66 M76 G77 M79 V166 I168M63-Y135 HydrophobicContact CB-CD2 3.91Å; M63-Y135 HydrophobicContact CB-CE2 3.85Å; M63-Y135 HydrophobicContact CB-CG 4.32Å; M63-Y135 HydrophobicContact CG-CD1 3.72Å; M63-Y135 HydrophobicContact CG-CD2 3.85Å; M63-Y135 HydrophobicContact CG-CE1 3.73Å; M63-Y135 HydrophobicContact CG-CE2 3.86Å; M63-Y135 HydrophobicContact CG-CG 3.78Å; M63-Y135 HydrophobicContact SD-CD1 3.65Å; M63-Y135 HydrophobicContact SD-CD2 4.12Å; M63-Y135 HydrophobicContact SD-CE1 4.26Å; M63-Y135 HydrophobicContact SD-CG 3.56Å; M63-Y135 VanDerWaalsContact SD-CG 3.56Å; H66-Y135 AromaticContact ND1-CE2 3.76Å; H66-Y135 AromaticContact ND1-CZ 3.68Å; H66-Y135 PolarHBondContact ND1-OH 2.97Å; M76-Y135 CarbonylContact C-O 3.56Å; M76-Y135 WeakPolarHBondContact CA-O 3.32Å; M76-Y135 WeakPolarHBondContact CB-O 3.38Å; G77-Y135 VanDerWaalsContact C-CE1 3.43Å; G77-Y135 PolarHBondContact N-O 2.73Å; G77-Y135 WeakPolarHBondContact O-CD1 3.43Å; G77-Y135 PolarHBondContact O-N 2.72Å; M79-Y135 HydrophobicContact CG-CD1 3.86Å; Y135-V166 CarbonylContact C-O 3.58Å; Y135-V166 WeakPolarHBondContact CA-O 3.16Å; Y135-I168 HydrophobicContact CD2-CD1 4.34Å
136H95.1Very high92.7Very high6 Ų620.6 Ų20.63%0.02812%0.119CC..EExtended strand (participates in β ladder)trans-144.4170.7168.165.4-84.5000110.8V75 M76 W134 H138 D149 V166 V167 I168V75-H136 CarbonylContact O-C 3.42Å; V75-H136 WeakPolarHBondContact O-CA 3.34Å; V75-H136 WeakPolarHBondContact O-CB 3.08Å; M76-H136 HydrophobicContact CB-CB 3.86Å; W134-H136 HydrophobicContact CE3-CB 4.31Å; W134-H136 AromaticContact CE3-ND1 3.7Å; W134-H136 AromaticContact CH2-CE1 3.54Å; W134-H136 AromaticContact CH2-ND1 3.2Å; W134-H136 WeakPolarHBondContact CH2-ND1 3.18Å; W134-H136 AromaticContact CZ2-ND1 3.95Å; W134-H136 HydrophobicContact CZ3-CB 3.87Å; W134-H136 AromaticContact CZ3-CE1 3.87Å; W134-H136 AromaticContact CZ3-CG 3.66Å; W134-H136 AromaticContact CZ3-ND1 3.05Å; W134-H136 WeakPolarHBondContact CZ3-ND1 3.35Å; H136-H138 AromaticContact CD2-CD2 3.51Å; H136-H138 AromaticContact CD2-NE2 3.47Å; H136-H138 PolarHBondContact CD2-NE2 2.97Å; H136-H138 AromaticContact NE2-CD2 3.64Å; H136-H138 AromaticContact NE2-CE1 3.69Å; H136-H138 AromaticContact NE2-NE2 3.17Å; H136-H138 PolarHBondContact NE2-NE2 2.88Å; H136-H138 VanDerWaalsContact NE2-NE2 3.17Å; H136-D149 IonicContact CE1-OD1 2.58Å; H136-D149 IonicContact NE2-OD1 2.61Å; H136-D149 IonicContact NE2-OD2 2.73Å; H136-V166 PolarHBondContact N-O 2.83Å; H136-V167 WeakPolarHBondContact O-CA 3.15Å; H136-I168 PolarHBondContact O-N 2.89Å
137S94.2Very high92.8Very high0 Ų018.6 Ų18.60%010%0.098CC..EExtended strand (participates in β ladder)trans-111.1140.2179.962.60000112.5E74 V75 P139 I168E74-S137 WeakPolarHBondContact CA-OG 3.31Å; E74-S137 WeakPolarHBondContact CB-O 3.41Å; E74-S137 WeakPolarHBondContact CG-O 3.42Å; V75-S137 PolarHBondContact N-OG 2.78Å; V75-S137 PolarHBondContact O-N 3.42Å; S137-P139 WeakPolarHBondContact O-CD 3.3Å; S137-I168 CarbonylContact C-O 3.5Å; S137-I168 WeakPolarHBondContact CA-O 3.48Å; S137-I168 WeakPolarHBondContact CB-O 3.41Å
138H94.3Very high92.8Very high0 Ų016.7 Ų16.70%09%0.094CC..  trans-115.489.2168.6-78.5-175.9000110.1E74 H136 G140 Y141 G142 W144 D149 V167 I168 D169E74-H138 IonicContact OE1-CD2 2.61Å; E74-H138 PolarHBondContact OE1-CD2 3.06Å; E74-H138 IonicContact OE1-NE2 3.44Å; H136-H138 AromaticContact CD2-CD2 3.51Å; H136-H138 AromaticContact CD2-NE2 3.47Å; H136-H138 PolarHBondContact CD2-NE2 2.97Å; H136-H138 AromaticContact NE2-CD2 3.64Å; H136-H138 AromaticContact NE2-CE1 3.69Å; H136-H138 AromaticContact NE2-NE2 3.17Å; H136-H138 PolarHBondContact NE2-NE2 2.88Å; H136-H138 VanDerWaalsContact NE2-NE2 3.17Å; H138-G140 PolarHBondContact O-N 2.95Å; H138-Y141 VanDerWaalsContact CA-CZ 3.5Å; H138-Y141 WeakPolarHBondContact CA-OH 3.4Å; H138-Y141 HydrophobicContact CB-CD2 3.8Å; H138-Y141 HydrophobicContact CB-CE1 4.19Å; H138-Y141 HydrophobicContact CB-CE2 3.36Å; H138-Y141 HydrophobicContact CB-CG 4.4Å; H138-Y141 AromaticContact CD2-CE2 3.46Å; H138-Y141 VanDerWaalsContact CD2-CE2 3.46Å; H138-Y141 WeakPolarHBondContact CD2-CE2 3.34Å; H138-Y141 AromaticContact CD2-CZ 3.72Å; H138-Y141 PolarHBondContact CD2-OH 3.14Å; H138-Y141 AromaticContact CE1-CE2 3.89Å; H138-Y141 AromaticContact CG-CD2 3.87Å; H138-Y141 AromaticContact CG-CE2 3.15Å; H138-Y141 AromaticContact CG-CZ 3.65Å; H138-Y141 AromaticContact ND1-CD2 3.88Å; H138-Y141 AromaticContact ND1-CE2 3.44Å; H138-Y141 WeakPolarHBondContact ND1-CE2 3.33Å; H138-Y141 AromaticContact NE2-CE2 3.91Å; H138-G142 VanDerWaalsContact CB-O 3.23Å; H138-G142 WeakPolarHBondContact CB-O 3.49Å; H138-G142 PolarHBondContact ND1-O 3.45Å; H138-W144 PolarHBondContact CE1-O 3.27Å; H138-W144 PolarHBondContact ND1-O 2.97Å; H138-D149 IonicContact CE1-OD2 3.68Å; H138-D149 IonicContact NE2-OD2 3.25Å; H138-V167 HydrophobicContact CB-CG1 3.91Å; H138-I168 PolarHBondContact N-O 2.87Å; H138-D169 WeakPolarHBondContact O-CA 3.25Å; H138-D169 WeakPolarHBondContact O-CB 3.38Å
139P92.8Very high93Very high15 Ų1513.1 Ų13.110%0.0978%0.075CC..THydrogen-bonded Turntrans-71103.9-173.9-18.633.4000112.5G71 S137 Y141 P170G71-P139 WeakPolarHBondContact O-CB 3.24Å; S137-P139 WeakPolarHBondContact O-CD 3.3Å; P139-Y141 VanDerWaalsContact O-CD1 3.27Å; P139-Y141 WeakPolarHBondContact O-CD1 3.36Å; P139-Y141 WeakPolarHBondContact O-CE1 3.31Å; P139-P170 HydrophobicContact CB-CG 4.4Å; P139-P170 HydrophobicContact CG-CG 4.46Å
140G90Very high93.1Very high8 Ų811.8 Ų11.88%0.0827%0.07CC..THydrogen-bonded Turntrans93-6.7169.700000116.4H138 D169 R172H138-G140 PolarHBondContact O-N 2.95Å; G140-D169 WeakPolarHBondContact CA-OD2 3.46Å; G140-D169 VanDerWaalsContact N-CG 3.27Å; G140-D169 PolarHBondContact N-OD1 2.89Å; G140-D169 PolarHBondContact N-OD2 2.93Å; G140-D169 VanDerWaalsContact N-OD2 3.1Å; G140-R172 PolarHBondContact O-NE 2.93Å; G140-R172 PolarHBondContact O-NH2 2.99Å
141Y90.6Very high93.2Very high27 Ų2711.4 Ų11.411%0.1067%0.072CC..THydrogen-bonded Turntrans-116.813.3-17950.6-81.6000114.5E74 H138 P139 W144 D169 I204 K208E74-Y141 WeakPolarHBondContact CG-OH 3.29Å; E74-Y141 PolarHBondContact OE1-OH 2.92Å; H138-Y141 VanDerWaalsContact CA-CZ 3.5Å; H138-Y141 WeakPolarHBondContact CA-OH 3.4Å; H138-Y141 HydrophobicContact CB-CD2 3.8Å; H138-Y141 HydrophobicContact CB-CE1 4.19Å; H138-Y141 HydrophobicContact CB-CE2 3.36Å; H138-Y141 HydrophobicContact CB-CG 4.4Å; H138-Y141 AromaticContact CD2-CE2 3.46Å; H138-Y141 VanDerWaalsContact CD2-CE2 3.46Å; H138-Y141 WeakPolarHBondContact CD2-CE2 3.34Å; H138-Y141 AromaticContact CD2-CZ 3.72Å; H138-Y141 PolarHBondContact CD2-OH 3.14Å; H138-Y141 AromaticContact CE1-CE2 3.89Å; H138-Y141 AromaticContact CG-CD2 3.87Å; H138-Y141 AromaticContact CG-CE2 3.15Å; H138-Y141 AromaticContact CG-CZ 3.65Å; H138-Y141 AromaticContact ND1-CD2 3.88Å; H138-Y141 AromaticContact ND1-CE2 3.44Å; H138-Y141 WeakPolarHBondContact ND1-CE2 3.33Å; H138-Y141 AromaticContact NE2-CE2 3.91Å; P139-Y141 VanDerWaalsContact O-CD1 3.27Å; P139-Y141 WeakPolarHBondContact O-CD1 3.36Å; P139-Y141 WeakPolarHBondContact O-CE1 3.31Å; Y141-W144 AromaticContact CD2-CZ2 3.99Å; Y141-W144 HydrophobicContact CD2-CZ2 3.99Å; Y141-W144 AromaticContact CD2-NE1 3.81Å; Y141-W144 PolarHBondContact O-NE1 2.93Å; Y141-D169 PolarHBondContact N-OD2 3.18Å; Y141-I204 WeakPolarHBondContact O-CD1 3.49Å; Y141-K208 HydrophobicContact CD2-CG 4.5Å
142G92.4Very high93.1Very high0 Ų010.5 Ų10.50%06%0.064CC..  trans84.2173.1170.600000114.7H138 D169 R172H138-G142 VanDerWaalsContact CB-O 3.23Å; H138-G142 WeakPolarHBondContact CB-O 3.49Å; H138-G142 PolarHBondContact ND1-O 3.45Å; G142-D169 WeakPolarHBondContact CA-OD2 3.45Å; G142-D169 PolarHBondContact N-OD2 3.4Å; G142-R172 VanDerWaalsContact N-CZ 3.33Å
143C94.6Very high93Very high2 Ų210.3 Ų10.31%0.0146%0.062CC..SBendtrans-98.1105.8-174.4-63.20000110.2V167 N180 F184 Q202C143-V167 HydrophobicContact CB-CB 4.12Å; C143-V167 HydrophobicContact CB-CG1 4.27Å; C143-V167 PolarHBondContact SG-O 2.8Å; C143-N180 PolarHBondContact SG-O 3.34Å; C143-N180 VanDerWaalsContact SG-O 3.41Å; C143-N180 PolarHBondContact SG-OD1 3.39Å; C143-N180 VanDerWaalsContact SG-OD1 3.34Å; C143-F184 HydrophobicContact CB-CE2 4.37Å; C143-F184 HydrophobicContact CB-CZ 4.37Å; C143-F184 VanDerWaalsContact O-CZ 3.32Å; C143-F184 WeakPolarHBondContact O-CZ 3.21Å; C143-Q202 PolarHBondContact O-NE2 3.14Å
144W94.2Very high92.8Very high3 Ų313 Ų131%0.0118%0.076CC..  trans-159.7167.9178.856.9-81000108.7H138 Y141 I204 K208 D211 F212 Y219H138-W144 PolarHBondContact CE1-O 3.27Å; H138-W144 PolarHBondContact ND1-O 2.97Å; Y141-W144 AromaticContact CD2-CZ2 3.99Å; Y141-W144 HydrophobicContact CD2-CZ2 3.99Å; Y141-W144 AromaticContact CD2-NE1 3.81Å; Y141-W144 PolarHBondContact O-NE1 2.93Å; W144-I204 HydrophobicContact CG-CD1 4.49Å; W144-K208 HydrophobicContact CH2-CB 4.24Å; W144-K208 HydrophobicContact CH2-CD 4.35Å; W144-K208 HydrophobicContact CZ2-CB 3.82Å; W144-K208 HydrophobicContact CZ2-CD 4.18Å; W144-K208 HydrophobicContact CZ2-CG 4.24Å; W144-D211 HydrophobicContact CH2-CB 4.33Å; W144-D211 HydrophobicContact CZ3-CB 4.43Å; W144-D211 WeakPolarHBondContact CZ3-OD2 3.3Å; W144-F212 HydrophobicContact CB-CD2 3.83Å; W144-F212 HydrophobicContact CB-CE2 3.89Å; W144-F212 HydrophobicContact CD2-CB 4.31Å; W144-F212 AromaticContact CD2-CD2 3.75Å; W144-F212 HydrophobicContact CD2-CD2 3.75Å; W144-F212 HydrophobicContact CD2-CG 4.5Å; W144-F212 HydrophobicContact CE3-CB 3.94Å; W144-F212 AromaticContact CE3-CD2 3.74Å; W144-F212 HydrophobicContact CE3-CD2 3.74Å; W144-F212 HydrophobicContact CE3-CG 4.35Å; W144-F212 AromaticContact CG-CD2 3.78Å; W144-F212 HydrophobicContact CG-CD2 3.78Å; W144-F212 HydrophobicContact CG-CE2 4.27Å; W144-F212 HydrophobicContact CH2-CB 4.31Å; W144-F212 HydrophobicContact CZ3-CB 3.9Å; W144-Y219 WeakPolarHBondContact CB-OH 3.3Å
145L93.2Very high92.6Very high0 Ų016.1 Ų16.10%09%0.093CC..  trans-103.1124.8176.7-57.7-176.5000110.8D149 V150 A165 V167 F184 T186 Y219L145-D149 HydrophobicContact CB-CB 3.85Å; L145-D149 HydrophobicContact CD2-CB 3.91Å; L145-D149 HydrophobicContact CG-CB 4.4Å; L145-V150 HydrophobicContact CB-CG2 3.85Å; L145-V150 HydrophobicContact CD1-CG2 4.45Å; L145-A165 HydrophobicContact CD1-CB 4.42Å; L145-A165 HydrophobicContact CD2-CB 3.96Å; L145-V167 HydrophobicContact CD2-CG2 3.69Å; L145-F184 HydrophobicContact CD1-CB 3.68Å; L145-F184 HydrophobicContact CD1-CG 4.4Å; L145-F184 HydrophobicContact CD2-CB 4.26Å; L145-F184 HydrophobicContact CD2-CD2 4.07Å; L145-F184 HydrophobicContact CD2-CG 4.4Å; L145-F184 HydrophobicContact CG-CB 3.92Å; L145-F184 HydrophobicContact CG-CD2 4.22Å; L145-F184 HydrophobicContact CG-CG 4.11Å; L145-T186 HydrophobicContact CD1-CG2 4.12Å; L145-Y219 HydrophobicContact CB-CD1 3.83Å; L145-Y219 HydrophobicContact CB-CE1 3.69Å; L145-Y219 HydrophobicContact CB-CG 4.36Å; L145-Y219 HydrophobicContact CD1-CD1 4.11Å; L145-Y219 HydrophobicContact CD1-CD2 4.43Å; L145-Y219 HydrophobicContact CD1-CG 3.94Å; L145-Y219 HydrophobicContact CG-CD1 4.27Å; L145-Y219 HydrophobicContact CG-CD2 4.46Å; L145-Y219 HydrophobicContact CG-CE1 4.41Å; L145-Y219 HydrophobicContact CG-CG 4.29Å; L145-Y219 PolarHBondContact N-OH 3.32Å; L145-Y219 WeakPolarHBondContact O-CE1 3.35Å
146S91.8Very high92.4Very high9 Ų916.4 Ų16.46%0.0639%0.094CC..  trans-69.1171169.670.60000112.1I148 D149 V150 D211S146-I148 PolarHBondContact O-N 3.15Å; S146-I148 PolarHBondContact OG-N 3.45Å; S146-D149 VanDerWaalsContact CB-OD2 3.26Å; S146-D149 WeakPolarHBondContact CB-OD2 3.3Å; S146-D149 PolarHBondContact N-OD2 3.39Å; S146-D149 PolarHBondContact O-N 2.72Å; S146-D149 VanDerWaalsContact O-N 3.17Å; S146-D149 PolarHBondContact OG-N 3.32Å; S146-D149 VanDerWaalsContact OG-N 3.16Å; S146-D149 PolarHBondContact OG-OD2 3.29Å; S146-V150 WeakPolarHBondContact O-CG2 3.27Å; S146-V150 PolarHBondContact O-N 2.95Å; S146-D211 VanDerWaalsContact CA-OD2 3.26Å; S146-D211 WeakPolarHBondContact CA-OD2 3.49Å; S146-D211 WeakPolarHBondContact CB-OD2 3.12Å
147G90.5Very high92.4Very high10 Ų1017.2 Ų17.210%0.10310%0.098CC..Hα-helixtrans-57.2-31.4173.700000113.8S151 D211 H215G147-S151 WeakPolarHBondContact O-CB 3.47Å; G147-S151 PolarHBondContact O-N 3.06Å; G147-S151 VanDerWaalsContact O-N 3.15Å; G147-S151 PolarHBondContact O-OG 2.92Å; G147-D211 PolarHBondContact N-OD1 3.44Å; G147-D211 PolarHBondContact N-OD2 3.03Å; G147-H215 VanDerWaalsContact CA-CD2 3.46Å; G147-H215 WeakPolarHBondContact CA-CD2 3.46Å; G147-H215 WeakPolarHBondContact CA-NE2 3.49Å
148I89.2Confident92.3Very high48 Ų4823.8 Ų23.825%0.24613%0.129CC..Hα-helixtrans-75.1-45.2176.3-71.6165.4000110.5E102 S146 V150 S151 T152E102-I148 WeakPolarHBondContact O-CD1 3.35Å; S146-I148 PolarHBondContact O-N 3.15Å; S146-I148 PolarHBondContact OG-N 3.45Å; I148-V150 VanDerWaalsContact C-N 3.28Å; I148-V150 PolarHBondContact O-N 3.4Å; I148-S151 WeakPolarHBondContact O-CB 3.18Å; I148-S151 PolarHBondContact O-N 3.36Å; I148-T152 PolarHBondContact O-N 2.94Å; I148-T152 PolarHBondContact O-OG1 3.19Å; I148-T152 VanDerWaalsContact O-OG1 3.12Å
149D92.6Very high92Very high12 Ų1231 Ų316%0.06416%0.16CC..Hα-helixtrans-61.3-40.1177.4-56.9-46000111.7W134 H136 H138 L145 S146 S151 T152 Q153W134-D149 HydrophobicContact CH2-CB 4.31Å; W134-D149 HydrophobicContact CZ2-CB 4.44Å; H136-D149 IonicContact CE1-OD1 2.58Å; H136-D149 IonicContact NE2-OD1 2.61Å; H136-D149 IonicContact NE2-OD2 2.73Å; H138-D149 IonicContact CE1-OD2 3.68Å; H138-D149 IonicContact NE2-OD2 3.25Å; L145-D149 HydrophobicContact CB-CB 3.85Å; L145-D149 HydrophobicContact CD2-CB 3.91Å; L145-D149 HydrophobicContact CG-CB 4.4Å; S146-D149 VanDerWaalsContact CB-OD2 3.26Å; S146-D149 WeakPolarHBondContact CB-OD2 3.3Å; S146-D149 PolarHBondContact N-OD2 3.39Å; S146-D149 PolarHBondContact O-N 2.72Å; S146-D149 VanDerWaalsContact O-N 3.17Å; S146-D149 PolarHBondContact OG-N 3.32Å; S146-D149 VanDerWaalsContact OG-N 3.16Å; S146-D149 PolarHBondContact OG-OD2 3.29Å; D149-S151 VanDerWaalsContact C-N 3.34Å; D149-T152 PolarHBondContact O-N 2.96Å; D149-Q153 WeakPolarHBondContact O-CB 3.49Å; D149-Q153 PolarHBondContact O-N 3.13Å
150V93.2Very high91.9Very high1 Ų133.4 Ų33.41%0.00617%0.17CC..Hα-helixtrans-60.3-46.5174170.60000110.3L145 S146 I148 Q153 M154 T186 H215 Q218 Y219L145-V150 HydrophobicContact CB-CG2 3.85Å; L145-V150 HydrophobicContact CD1-CG2 4.45Å; S146-V150 WeakPolarHBondContact O-CG2 3.27Å; S146-V150 PolarHBondContact O-N 2.95Å; I148-V150 VanDerWaalsContact C-N 3.28Å; I148-V150 PolarHBondContact O-N 3.4Å; V150-Q153 PolarHBondContact O-N 2.81Å; V150-M154 HydrophobicContact CG1-CG 4.26Å; V150-M154 HydrophobicContact CG1-SD 3.92Å; V150-M154 WeakPolarHBondContact O-CB 3.17Å; V150-M154 WeakPolarHBondContact O-CG 3.28Å; V150-M154 PolarHBondContact O-N 3.47Å; V150-T186 HydrophobicContact CB-CG2 4.24Å; V150-T186 HydrophobicContact CG1-CG2 3.87Å; V150-T186 HydrophobicContact CG2-CG2 4.25Å; V150-H215 HydrophobicContact CG2-CB 4.32Å; V150-Q218 HydrophobicContact CG1-CB 4.07Å; V150-Q218 HydrophobicContact CG2-CB 4.46Å; V150-Y219 HydrophobicContact CG2-CD1 3.76Å; V150-Y219 HydrophobicContact CG2-CE1 4.22Å
151S91.3Very high92Very high56 Ų5635.4 Ų35.439%0.39218%0.178SC..Hα-helixtrans-62.6-45.4179-60.60000112G147 I148 D149 M154 L155G147-S151 WeakPolarHBondContact O-CB 3.47Å; G147-S151 PolarHBondContact O-N 3.06Å; G147-S151 VanDerWaalsContact O-N 3.15Å; G147-S151 PolarHBondContact O-OG 2.92Å; I148-S151 WeakPolarHBondContact O-CB 3.18Å; I148-S151 PolarHBondContact O-N 3.36Å; D149-S151 VanDerWaalsContact C-N 3.34Å; S151-M154 PolarHBondContact O-N 3.41Å; S151-L155 WeakPolarHBondContact O-CG 3.31Å; S151-L155 PolarHBondContact O-N 3.42Å; S151-L155 VanDerWaalsContact O-N 3.1Å
152T90.3Very high92.3Very high10 Ų1034.7 Ų34.76%0.06118%0.176CC..Hα-helixtrans-62.8-45.7176.1-580000111.2V105 W134 I148 D149 L155 N156V105-T152 PolarHBondContact O-OG1 3.31Å; W134-T152 HydrophobicContact CH2-CG2 4.36Å; W134-T152 HydrophobicContact CZ2-CG2 4.14Å; I148-T152 PolarHBondContact O-N 2.94Å; I148-T152 PolarHBondContact O-OG1 3.19Å; I148-T152 VanDerWaalsContact O-OG1 3.12Å; D149-T152 PolarHBondContact O-N 2.96Å; T152-L155 PolarHBondContact O-N 3.48Å; T152-N156 PolarHBondContact O-N 2.82Å; T152-N156 PolarHBondContact O-ND2 3.44Å
153Q94.5Very high92.5Very high0 Ų034.7 Ų34.70%018%0.176CC..Hα-helixtrans-67.1-37.3179.6179.559.112.900112.1D149 V150 N156 Q157 F163 A165 T186D149-Q153 WeakPolarHBondContact O-CB 3.49Å; D149-Q153 PolarHBondContact O-N 3.13Å; V150-Q153 PolarHBondContact O-N 2.81Å; Q153-N156 PolarHBondContact O-N 2.95Å; Q153-Q157 WeakPolarHBondContact O-CB 3.45Å; Q153-Q157 WeakPolarHBondContact O-CG 3.43Å; Q153-Q157 PolarHBondContact O-N 3.44Å; Q153-F163 PolarHBondContact NE2-O 2.96Å; Q153-A165 HydrophobicContact CB-CB 4.46Å; Q153-A165 HydrophobicContact CG-CB 4.12Å; Q153-T186 HydrophobicContact CB-CG2 3.86Å; Q153-T186 HydrophobicContact CG-CG2 3.7Å
154M92.9Very high92.7Very high58 Ų5834.6 Ų34.629%0.28618%0.175SC..Hα-helixtrans-61-44172.6-76178.574.200111.9V150 S151 Q157 Q158 T186 K189V150-M154 HydrophobicContact CG1-CG 4.26Å; V150-M154 HydrophobicContact CG1-SD 3.92Å; V150-M154 WeakPolarHBondContact O-CB 3.17Å; V150-M154 WeakPolarHBondContact O-CG 3.28Å; V150-M154 PolarHBondContact O-N 3.47Å; S151-M154 PolarHBondContact O-N 3.41Å; M154-Q157 PolarHBondContact O-N 2.94Å; M154-Q158 WeakPolarHBondContact O-CB 3.28Å; M154-Q158 PolarHBondContact O-N 2.68Å; M154-T186 HydrophobicContact CG-CG2 4.28Å; M154-T186 WeakPolarHBondContact CG-OG1 3.43Å; M154-K189 HydrophobicContact CE-CB 3.97Å
155L91.6Very high92.8Very high72 Ų7234.5 Ų34.538%0.37718%0.175SC..Hα-helixtrans-62.4-43.6175.4-72.8169.8000111.3S151 T152 Q158 F159S151-L155 WeakPolarHBondContact O-CG 3.31Å; S151-L155 PolarHBondContact O-N 3.42Å; S151-L155 VanDerWaalsContact O-N 3.1Å; T152-L155 PolarHBondContact O-N 3.48Å; L155-Q158 WeakPolarHBondContact O-CB 3.21Å; L155-Q158 PolarHBondContact O-N 3.35Å; L155-Q158 VanDerWaalsContact O-N 3.1Å; L155-F159 HydrophobicContact CD2-CE2 3.97Å; L155-F159 VanDerWaalsContact O-CD2 3.24Å; L155-F159 WeakPolarHBondContact O-CD2 3.32Å; L155-F159 PolarHBondContact O-N 3.47Å
156N91.8Very high93.1Very high7 Ų734.5 Ų34.54%0.03718%0.175CC..Hα-helixtrans-65.8-41.7178.9-72-24.4000112.4Q108 T152 Q153 Q158 F159 Q160 F163Q108-N156 PolarHBondContact NE2-ND2 3.35Å; Q108-N156 PolarHBondContact OE1-ND2 2.96Å; Q108-N156 PolarHBondContact OE1-OD1 3.44Å; T152-N156 PolarHBondContact O-N 2.82Å; T152-N156 PolarHBondContact O-ND2 3.44Å; Q153-N156 PolarHBondContact O-N 2.95Å; N156-Q158 PolarHBondContact O-N 2.97Å; N156-F159 PolarHBondContact O-N 3.32Å; N156-Q160 CarbonylContact O-C 3.47Å; N156-Q160 VanDerWaalsContact O-CA 3.31Å; N156-Q160 WeakPolarHBondContact O-CA 3.39Å; N156-Q160 WeakPolarHBondContact O-CB 3.33Å; N156-Q160 PolarHBondContact O-N 2.98Å; N156-F163 HydrophobicContact CB-CB 4.37Å; N156-F163 HydrophobicContact CB-CD1 3.41Å; N156-F163 VanDerWaalsContact CB-CD1 3.41Å; N156-F163 HydrophobicContact CB-CE1 3.75Å; N156-F163 HydrophobicContact CB-CG 3.97Å
157Q93.9Very high93.3Very high24 Ų2434 Ų3411%0.11217%0.172CC..Hα-helixtrans-65.2-26.2171.7-78.4-178.5-133.500112.5Q153 M154 E161 T186Q153-Q157 WeakPolarHBondContact O-CB 3.45Å; Q153-Q157 WeakPolarHBondContact O-CG 3.43Å; Q153-Q157 PolarHBondContact O-N 3.44Å; M154-Q157 PolarHBondContact O-N 2.94Å; Q157-E161 VanDerWaalsContact CA-OE2 3.32Å; Q157-E161 WeakPolarHBondContact CA-OE2 2.89Å; Q157-E161 WeakPolarHBondContact CB-OE2 3.4Å; Q157-E161 WeakPolarHBondContact CG-OE2 3.35Å; Q157-E161 WeakPolarHBondContact O-CB 3.49Å; Q157-T186 PolarHBondContact NE2-O 2.99Å; Q157-T186 PolarHBondContact OE1-OG1 3.41Å
158Q92.1Very high93.6Very high138 Ų13833.6 Ų33.665%0.64517%0.167SC*.Hα-helixtrans-76.6-39.5176.5-173.3169.110.600113M154 L155 N156M154-Q158 WeakPolarHBondContact O-CB 3.28Å; M154-Q158 PolarHBondContact O-N 2.68Å; L155-Q158 WeakPolarHBondContact O-CB 3.21Å; L155-Q158 PolarHBondContact O-N 3.35Å; L155-Q158 VanDerWaalsContact O-N 3.1Å; N156-Q158 PolarHBondContact O-N 2.97Å
159F89.3Confident93.9Very high151 Ų15131.3 Ų31.366%0.66216%0.155SC*.Hα-helixtrans-110.5-19.7-170.1-62.6-68.8000115L155 N156L155-F159 HydrophobicContact CD2-CE2 3.97Å; L155-F159 VanDerWaalsContact O-CD2 3.24Å; L155-F159 WeakPolarHBondContact O-CD2 3.32Å; L155-F159 PolarHBondContact O-N 3.47Å; N156-F159 PolarHBondContact O-N 3.32Å
160Q89.4Confident93.9Very high65 Ų6531 Ų3130%0.30415%0.154SC..SBendtrans-130.224.9-173.8-56.6-172.332.600113.1N156 P162 F163N156-Q160 CarbonylContact O-C 3.47Å; N156-Q160 VanDerWaalsContact O-CA 3.31Å; N156-Q160 WeakPolarHBondContact O-CA 3.39Å; N156-Q160 WeakPolarHBondContact O-CB 3.33Å; N156-Q160 PolarHBondContact O-N 2.98Å; Q160-P162 CarbonylContact O-C 3.53Å; Q160-F163 HydrophobicContact CB-CD2 3.94Å; Q160-F163 HydrophobicContact CB-CE2 4.18Å
161E93.5Very high93.8Very high51 Ų5131.8 Ų31.824%0.23816%0.159CC..  trans-60.9133.9179.7-161.268.5-117.700112W43 Q157 F163 R185W43-E161 VanDerWaalsContact CD1-CG 3.47Å; W43-E161 HydrophobicContact CG-CG 4.31Å; Q157-E161 VanDerWaalsContact CA-OE2 3.32Å; Q157-E161 WeakPolarHBondContact CA-OE2 2.89Å; Q157-E161 WeakPolarHBondContact CB-OE2 3.4Å; Q157-E161 WeakPolarHBondContact CG-OE2 3.35Å; Q157-E161 WeakPolarHBondContact O-CB 3.49Å; E161-F163 PolarHBondContact OE1-N 3.37Å; E161-R185 IonicContact OE1-CZ 2.6Å; E161-R185 IonicContact OE1-NH1 3.24Å; E161-R185 PolarHBondContact OE1-NH1 3.37Å; E161-R185 IonicContact OE1-NH2 2.74Å; E161-R185 PolarHBondContact OE1-NH2 3.31Å; E161-R185 IonicContact OE2-NH2 2.93Å; E161-R185 PolarHBondContact OE2-NH2 3.34Å
162P95.9Very high93.8Very high11 Ų1129.1 Ų29.17%0.07114%0.14CC..SBendcis-83.3134.16.332.1-33.9000115.2L38 W43 F50 V83 M88 I132 Q160L38-P162 VanDerWaalsContact CD2-CD 3.5Å; L38-P162 HydrophobicContact CD2-CG 4.21Å; W43-P162 HydrophobicContact CH2-CB 4.45Å; W43-P162 HydrophobicContact CH2-CG 4.1Å; W43-P162 HydrophobicContact CZ2-CG 4.42Å; W43-P162 HydrophobicContact CZ3-CG 4.41Å; F50-P162 HydrophobicContact CE2-CB 3.96Å; F50-P162 HydrophobicContact CZ-CB 3.83Å; V83-P162 HydrophobicContact CG1-CB 4.04Å; V83-P162 HydrophobicContact CG1-CG 3.63Å; M88-P162 HydrophobicContact CE-CB 4.25Å; I132-P162 HydrophobicContact CD1-CG 4.11Å; Q160-P162 CarbonylContact O-C 3.53Å
163F96.8Very high93.6Very high1 Ų129.6 Ų29.60%0.00414%0.143CC..  trans-139.3136.7-176.4-138.8-105.2000114.4L78 A131 I132 W134 Q153 N156 Q160 E161 R185L78-F163 HydrophobicContact CD1-CZ 4.11Å; A131-F163 HydrophobicContact CB-CE2 4.25Å; I132-F163 CarbonylContact O-C 3.52Å; I132-F163 WeakPolarHBondContact O-CA 3.12Å; W134-F163 HydrophobicContact CB-CE1 3.94Å; W134-F163 HydrophobicContact CB-CZ 4.43Å; W134-F163 AromaticContact CD1-CD1 3.76Å; W134-F163 AromaticContact CD1-CE1 3.41Å; W134-F163 VanDerWaalsContact CD1-CE1 3.41Å; W134-F163 AromaticContact CG-CE1 3.97Å; W134-F163 HydrophobicContact CG-CE1 3.97Å; Q153-F163 PolarHBondContact NE2-O 2.96Å; N156-F163 HydrophobicContact CB-CB 4.37Å; N156-F163 HydrophobicContact CB-CD1 3.41Å; N156-F163 VanDerWaalsContact CB-CD1 3.41Å; N156-F163 HydrophobicContact CB-CE1 3.75Å; N156-F163 HydrophobicContact CB-CG 3.97Å; Q160-F163 HydrophobicContact CB-CD2 3.94Å; Q160-F163 HydrophobicContact CB-CE2 4.18Å; E161-F163 PolarHBondContact OE1-N 3.37Å; F163-R185 PolarHBondContact O-NH1 3.05Å
164V98.1Very high93Very high0 Ų031.9 Ų31.90%016%0.155CC..EExtended strand (participates in β ladder)trans-123.2144.4177.464.40000112.1M79 M88 I90 I132 G133 W134 A183 F184 R185M79-V164 HydrophobicContact CE-CG1 3.71Å; M88-V164 HydrophobicContact CE-CB 3.76Å; M88-V164 HydrophobicContact CE-CG1 3.9Å; M88-V164 HydrophobicContact SD-CB 3.74Å; M88-V164 HydrophobicContact SD-CG1 4.27Å; M88-V164 HydrophobicContact SD-CG2 4.41Å; I90-V164 HydrophobicContact CD1-CG1 4.34Å; I132-V164 PolarHBondContact O-N 3.16Å; G133-V164 CarbonylContact C-O 3.56Å; G133-V164 WeakPolarHBondContact CA-O 3.34Å; W134-V164 PolarHBondContact N-O 2.76Å; V164-A183 HydrophobicContact CG2-CB 4.18Å; V164-F184 WeakPolarHBondContact CG2-O 3.36Å; V164-R185 HydrophobicContact CG2-CG 4.32Å
165A97.7Very high92.2Very high0 Ų029.8 Ų29.80%015%0.146CC..EExtended strand (participates in β ladder)trans-97.5126170.700000109.8W134 L145 Q153 A183 F184W134-A165 HydrophobicContact CZ2-CB 4.17Å; W134-A165 WeakPolarHBondContact O-CA 3.44Å; L145-A165 HydrophobicContact CD1-CB 4.42Å; L145-A165 HydrophobicContact CD2-CB 3.96Å; Q153-A165 HydrophobicContact CB-CB 4.46Å; Q153-A165 HydrophobicContact CG-CB 4.12Å; A165-A183 CarbonylContact O-C 3.51Å; A165-A183 WeakPolarHBondContact O-CA 3.12Å; A165-F184 PolarHBondContact N-O 3.22Å; A165-F184 PolarHBondContact O-N 2.89Å
166V98.2Very high91.6Very high0 Ų028.8 Ų28.80%015%0.148CC..EExtended strand (participates in β ladder)trans-112.2130.4173.2166.90000109.9M63 M79 I90 W134 Y135 H136 I168 L181 G182 A183M63-V166 HydrophobicContact SD-CG1 4.49Å; M79-V166 HydrophobicContact CE-CB 4.02Å; M79-V166 HydrophobicContact CE-CG2 3.65Å; M79-V166 HydrophobicContact SD-CB 3.99Å; M79-V166 HydrophobicContact SD-CG2 3.84Å; I90-V166 HydrophobicContact CD1-CG2 4.08Å; W134-V166 PolarHBondContact O-N 3.09Å; Y135-V166 CarbonylContact C-O 3.58Å; Y135-V166 WeakPolarHBondContact CA-O 3.16Å; H136-V166 PolarHBondContact N-O 2.83Å; V166-I168 HydrophobicContact CG1-CD1 4.48Å; V166-I168 HydrophobicContact CG1-CG1 4.14Å; V166-L181 HydrophobicContact CG1-CD1 3.96Å; V166-L181 HydrophobicContact CG1-CD2 3.84Å; V166-L181 HydrophobicContact CG1-CG 3.79Å; V166-G182 CarbonylContact C-O 3.56Å; V166-G182 WeakPolarHBondContact CA-O 3.41Å; V166-A183 HydrophobicContact CG2-CB 4Å
167V97.4Very high90.7Very high0 Ų031.6 Ų31.60%018%0.179CC..EExtended strand (participates in β ladder)trans-115.4132.9178.6-169.40000109.3H136 H138 C143 L145 L181 G182 F184H136-V167 WeakPolarHBondContact O-CA 3.15Å; H138-V167 HydrophobicContact CB-CG1 3.91Å; C143-V167 HydrophobicContact CB-CB 4.12Å; C143-V167 HydrophobicContact CB-CG1 4.27Å; C143-V167 PolarHBondContact SG-O 2.8Å; L145-V167 HydrophobicContact CD2-CG2 3.69Å; V167-L181 VanDerWaalsContact O-CA 3.3Å; V167-L181 WeakPolarHBondContact O-CA 3.34Å; V167-G182 PolarHBondContact N-O 3.37Å; V167-G182 PolarHBondContact O-N 3.03Å; V167-F184 HydrophobicContact CB-CE2 4.06Å; V167-F184 HydrophobicContact CG2-CD2 3.83Å; V167-F184 HydrophobicContact CG2-CE2 3.76Å
168I96.6Very high90.3Very high0 Ų035.8 Ų35.80%020%0.197CC..EExtended strand (participates in β ladder)trans-123.2130.2-179.1-56.9176.9000109.8M63 V64 A67 Y135 H136 S137 H138 V166 P170 L181M63-I168 HydrophobicContact CB-CD1 3.34Å; M63-I168 HydrophobicContact CG-CD1 4.38Å; M63-I168 HydrophobicContact SD-CD1 4.38Å; V64-I168 HydrophobicContact CG2-CG2 4.27Å; A67-I168 HydrophobicContact CB-CB 4.41Å; A67-I168 HydrophobicContact CB-CG2 4.1Å; Y135-I168 HydrophobicContact CD2-CD1 4.34Å; H136-I168 PolarHBondContact O-N 2.89Å; S137-I168 CarbonylContact C-O 3.5Å; S137-I168 WeakPolarHBondContact CA-O 3.48Å; S137-I168 WeakPolarHBondContact CB-O 3.41Å; H138-I168 PolarHBondContact N-O 2.87Å; V166-I168 HydrophobicContact CG1-CD1 4.48Å; V166-I168 HydrophobicContact CG1-CG1 4.14Å; I168-P170 VanDerWaalsContact O-CD 3.24Å; I168-P170 WeakPolarHBondContact O-CD 3.24Å; I168-L181 HydrophobicContact CD1-CD1 4Å; I168-L181 HydrophobicContact CG1-CB 4.45Å; I168-L181 HydrophobicContact CG1-CD1 3.84Å; I168-L181 HydrophobicContact CG1-CG 3.95Å
169D95.5Very high90.2Very high0 Ų030.3 Ų30.30%017%0.172CC..EExtended strand (participates in β ladder)trans-103.297169.7-169.8-33.4000109.6H138 G140 Y141 G142 T171 R172 T173 N180H138-D169 WeakPolarHBondContact O-CA 3.25Å; H138-D169 WeakPolarHBondContact O-CB 3.38Å; G140-D169 WeakPolarHBondContact CA-OD2 3.46Å; G140-D169 VanDerWaalsContact N-CG 3.27Å; G140-D169 PolarHBondContact N-OD1 2.89Å; G140-D169 PolarHBondContact N-OD2 2.93Å; G140-D169 VanDerWaalsContact N-OD2 3.1Å; Y141-D169 PolarHBondContact N-OD2 3.18Å; G142-D169 WeakPolarHBondContact CA-OD2 3.45Å; G142-D169 PolarHBondContact N-OD2 3.4Å; D169-T171 VanDerWaalsContact C-N 3.29Å; D169-T171 PolarHBondContact O-N 3.18Å; D169-T171 WeakPolarHBondContact OD1-CB 3.46Å; D169-T171 PolarHBondContact OD1-N 3.02Å; D169-T171 VanDerWaalsContact OD1-N 3.1Å; D169-R172 HydrophobicContact CB-CB 4.11Å; D169-R172 HydrophobicContact CB-CG 4.44Å; D169-R172 PolarHBondContact OD1-N 3.06Å; D169-R172 WeakPolarHBondContact OD2-CD 3.5Å; D169-R172 WeakPolarHBondContact OD2-CG 3.32Å; D169-R172 IonicContact OD2-NE 2.86Å; D169-R172 PolarHBondContact OD2-NE 2.88Å; D169-R172 VanDerWaalsContact OD2-NE 3.1Å; D169-T173 WeakPolarHBondContact O-CB 3.18Å; D169-T173 PolarHBondContact O-N 3.14Å; D169-T173 PolarHBondContact O-OG1 2.94Å; D169-N180 HydrophobicContact CB-CB 4.16Å; D169-N180 PolarHBondContact N-O 3.02Å
170P92.4Very high90.4Very high7 Ų724.7 Ų24.75%0.04515%0.15CC..Hα-helixtrans-67.5-31.8-178.228-35.1000112A67 R68 P139 I168 T173 I174A67-P170 HydrophobicContact CB-CB 4.03Å; A67-P170 HydrophobicContact CB-CG 4.02Å; R68-P170 HydrophobicContact CB-CB 4.38Å; P139-P170 HydrophobicContact CB-CG 4.4Å; P139-P170 HydrophobicContact CG-CG 4.46Å; I168-P170 VanDerWaalsContact O-CD 3.24Å; I168-P170 WeakPolarHBondContact O-CD 3.24Å; P170-T173 WeakPolarHBondContact O-CB 3.41Å; P170-T173 PolarHBondContact O-N 3.46Å; P170-I174 WeakPolarHBondContact O-CG1 3.31Å; P170-I174 PolarHBondContact O-N 3.32Å
171T90.8Very high90.7Very high16 Ų1622.6 Ų22.610%0.09814%0.14CC..Hα-helixtrans-69.7-49.6-177.9-54.10000110.6D169 T173 I174 S175 N256 Y259D169-T171 VanDerWaalsContact C-N 3.29Å; D169-T171 PolarHBondContact O-N 3.18Å; D169-T171 WeakPolarHBondContact OD1-CB 3.46Å; D169-T171 PolarHBondContact OD1-N 3.02Å; D169-T171 VanDerWaalsContact OD1-N 3.1Å; T171-T173 VanDerWaalsContact C-N 3.28Å; T171-T173 PolarHBondContact O-N 2.86Å; T171-I174 PolarHBondContact O-N 2.79Å; T171-S175 PolarHBondContact O-N 3.43Å; T171-N256 PolarHBondContact O-ND2 3.45Å; T171-Y259 HydrophobicContact CG2-CD1 4.03Å; T171-Y259 HydrophobicContact CG2-CD2 3.52Å; T171-Y259 HydrophobicContact CG2-CE2 4.26Å; T171-Y259 HydrophobicContact CG2-CG 3.38Å
172R90.3Very high90.9Very high1 Ų120.7 Ų20.70%0.00413%0.134CC..Hα-helixtrans-67-29.9174.9-69.4-178.4-169.4-158.3-8.4112.7G140 G142 D169 I174 S175 A176 N180 T203G140-R172 PolarHBondContact O-NE 2.93Å; G140-R172 PolarHBondContact O-NH2 2.99Å; G142-R172 VanDerWaalsContact N-CZ 3.33Å; D169-R172 HydrophobicContact CB-CB 4.11Å; D169-R172 HydrophobicContact CB-CG 4.44Å; D169-R172 PolarHBondContact OD1-N 3.06Å; D169-R172 WeakPolarHBondContact OD2-CD 3.5Å; D169-R172 WeakPolarHBondContact OD2-CG 3.32Å; D169-R172 IonicContact OD2-NE 2.86Å; D169-R172 PolarHBondContact OD2-NE 2.88Å; D169-R172 VanDerWaalsContact OD2-NE 3.1Å; R172-I174 VanDerWaalsContact C-N 3.26Å; R172-I174 PolarHBondContact O-N 3.22Å; R172-S175 WeakPolarHBondContact CA-OG 3.47Å; R172-S175 PolarHBondContact O-N 3.02Å; R172-S175 PolarHBondContact O-OG 3.1Å; R172-A176 VanDerWaalsContact O-CB 3.25Å; R172-A176 WeakPolarHBondContact O-CB 3.23Å; R172-A176 PolarHBondContact O-N 2.97Å; R172-N180 HydrophobicContact CB-CB 4.22Å; R172-N180 WeakPolarHBondContact CD-ND2 3.17Å; R172-T203 PolarHBondContact NH1-O 3.47Å; R172-T203 PolarHBondContact NH2-O 2.7Å
173T87.8Confident91Very high20 Ų2020.2 Ų20.212%0.12313%0.131CC..Hα-helixtrans-59.5-40.8174.4-65.70000111.4D169 P170 T171 G177 K178 V179 N180D169-T173 WeakPolarHBondContact O-CB 3.18Å; D169-T173 PolarHBondContact O-N 3.14Å; D169-T173 PolarHBondContact O-OG1 2.94Å; P170-T173 WeakPolarHBondContact O-CB 3.41Å; P170-T173 PolarHBondContact O-N 3.46Å; T171-T173 VanDerWaalsContact C-N 3.28Å; T171-T173 PolarHBondContact O-N 2.86Å; T173-G177 PolarHBondContact O-N 3.33Å; T173-G177 VanDerWaalsContact O-N 3.15Å; T173-K178 WeakPolarHBondContact CA-O 3.42Å; T173-V179 HydrophobicContact CG2-CG2 4.43Å; T173-N180 PolarHBondContact OG1-N 3.31Å
174I81.4Confident91Very high47 Ų4720.8 Ų20.824%0.24113%0.134CC..Hα-helixtrans-72.9-40.3178.4-63.1164.3000111.1P170 T171 R172 N256P170-I174 WeakPolarHBondContact O-CG1 3.31Å; P170-I174 PolarHBondContact O-N 3.32Å; T171-I174 PolarHBondContact O-N 2.79Å; R172-I174 VanDerWaalsContact C-N 3.26Å; R172-I174 PolarHBondContact O-N 3.22Å; I174-N256 VanDerWaalsContact CB-ND2 3.32Å; I174-N256 WeakPolarHBondContact CB-ND2 3.26Å; I174-N256 VanDerWaalsContact CG2-ND2 3.32Å; I174-N256 WeakPolarHBondContact CG2-ND2 3.2Å; I174-N256 WeakPolarHBondContact CG2-OD1 3.32Å
175S76.6Confident91Very high14 Ų1421.2 Ų21.210%0.09814%0.136CC..Hα-helixtrans-73.5-40.6-177.370.90000113T171 R172 N256 E311T171-S175 PolarHBondContact O-N 3.43Å; R172-S175 WeakPolarHBondContact CA-OG 3.47Å; R172-S175 PolarHBondContact O-N 3.02Å; R172-S175 PolarHBondContact O-OG 3.1Å; S175-N256 PolarHBondContact N-ND2 3.37Å; S175-E311 WeakPolarHBondContact CB-OE2 3.45Å; S175-E311 VanDerWaalsContact OG-CD 3.3Å; S175-E311 PolarHBondContact OG-OE2 3.18Å
176A77.9Confident90.9Very high52 Ų5221.4 Ų21.443%0.4314%0.136SC..Hα-helixtrans-82.9-16.6-179.900000113.6R172 K178R172-A176 VanDerWaalsContact O-CB 3.25Å; R172-A176 WeakPolarHBondContact O-CB 3.23Å; R172-A176 PolarHBondContact O-N 2.97Å; A176-K178 PolarHBondContact O-N 2.96Å
177G73.9Confident90.7Very high66 Ų6622.4 Ų22.468%0.6814%0.14SC*.SBendtrans68.214.3-174.700000114T173T173-G177 PolarHBondContact O-N 3.33Å; T173-G177 VanDerWaalsContact O-N 3.15Å
178K84.7Confident90.4Very high111 Ų11125 Ų2548%0.48316%0.157SC..SBendtrans-134.6139.2179.1-177.6-178.1176.3-170.40108.6S14 T173 A176 N180S14-K178 WeakPolarHBondContact O-CE 2.98Å; T173-K178 WeakPolarHBondContact CA-O 3.42Å; A176-K178 PolarHBondContact O-N 2.96Å; K178-N180 PolarHBondContact O-N 3.49Å; K178-N180 VanDerWaalsContact O-N 3.14Å
179V90.2Very high90.1Very high23 Ų2334.5 Ų34.514%0.13920%0.199CC..  trans-58.4120.5176.6-179.60000109.2L60 V64 T173 L181L60-V179 HydrophobicContact CD1-CG1 3.86Å; V64-V179 HydrophobicContact CG2-CG1 4.2Å; T173-V179 HydrophobicContact CG2-CG2 4.43Å; V179-L181 HydrophobicContact CG1-CB 3.84Å; V179-L181 HydrophobicContact CG1-CD1 4.49Å
180N93.7Very high89.6Confident34 Ų3438.3 Ų38.318%0.18224%0.238CC..EExtended strand (participates in β ladder)trans-96.2101.1172.3-163.3-13.1000108.6C143 D169 R172 T173 K178C143-N180 PolarHBondContact SG-O 3.34Å; C143-N180 VanDerWaalsContact SG-O 3.41Å; C143-N180 PolarHBondContact SG-OD1 3.39Å; C143-N180 VanDerWaalsContact SG-OD1 3.34Å; D169-N180 HydrophobicContact CB-CB 4.16Å; D169-N180 PolarHBondContact N-O 3.02Å; R172-N180 HydrophobicContact CB-CB 4.22Å; R172-N180 WeakPolarHBondContact CD-ND2 3.17Å; T173-N180 PolarHBondContact OG1-N 3.31Å; K178-N180 PolarHBondContact O-N 3.49Å; K178-N180 VanDerWaalsContact O-N 3.14Å
181L96Very high89.4Confident21 Ų2141.7 Ų41.711%0.1125%0.25CS..EExtended strand (participates in β ladder)trans-144.9131.2-174.8-176.6160000109.3I55 L60 M63 V166 V167 I168 V179 V224I55-L181 HydrophobicContact CD1-CD1 4.08Å; I55-L181 HydrophobicContact CD1-CD2 3.67Å; L60-L181 HydrophobicContact CD1-CD1 3.8Å; M63-L181 HydrophobicContact CE-CD1 4.38Å; V166-L181 HydrophobicContact CG1-CD1 3.96Å; V166-L181 HydrophobicContact CG1-CD2 3.84Å; V166-L181 HydrophobicContact CG1-CG 3.79Å; V167-L181 VanDerWaalsContact O-CA 3.3Å; V167-L181 WeakPolarHBondContact O-CA 3.34Å; I168-L181 HydrophobicContact CD1-CD1 4Å; I168-L181 HydrophobicContact CG1-CB 4.45Å; I168-L181 HydrophobicContact CG1-CD1 3.84Å; I168-L181 HydrophobicContact CG1-CG 3.95Å; V179-L181 HydrophobicContact CG1-CB 3.84Å; V179-L181 HydrophobicContact CG1-CD1 4.49Å; L181-V224 HydrophobicContact CD2-CG1 4.09Å; L181-V224 HydrophobicContact CD2-CG2 4.11Å
182G96.7Very high89Confident11 Ų1149.8 Ų49.811%0.11328%0.284CS..EExtended strand (participates in β ladder)trans-121.1146.5171.200000111.5V166 V167 F184V166-G182 CarbonylContact C-O 3.56Å; V166-G182 WeakPolarHBondContact CA-O 3.41Å; V167-G182 PolarHBondContact N-O 3.37Å; V167-G182 PolarHBondContact O-N 3.03Å; G182-F184 VanDerWaalsContact C-CE2 3.46Å
183A97.8Very high88.7Confident1 Ų151.7 Ų51.71%0.00830%0.297CS..EExtended strand (participates in β ladder)trans-114.9131.617100000108.9C53 V164 A165 V166 A221 L222 V224C53-A183 HydrophobicContact CB-CB 3.84Å; V164-A183 HydrophobicContact CG2-CB 4.18Å; A165-A183 CarbonylContact O-C 3.51Å; A165-A183 WeakPolarHBondContact O-CA 3.12Å; V166-A183 HydrophobicContact CG2-CB 4Å; A183-A221 CarbonylContact O-C 3.43Å; A183-A221 WeakPolarHBondContact O-CA 3.49Å; A183-L222 HydrophobicContact CB-CB 4.29Å; A183-L222 PolarHBondContact O-N 3.46Å; A183-V224 HydrophobicContact CB-CG2 3.65Å
184F97.3Very high88.2Confident13 Ų1354.1 Ų54.16%0.05731%0.313CS..EExtended strand (participates in β ladder)trans-136.4150.4-169-54.1-81.9000112.1C143 L145 V164 A165 V167 G182 Y219 Y220 A221C143-F184 HydrophobicContact CB-CE2 4.37Å; C143-F184 HydrophobicContact CB-CZ 4.37Å; C143-F184 VanDerWaalsContact O-CZ 3.32Å; C143-F184 WeakPolarHBondContact O-CZ 3.21Å; L145-F184 HydrophobicContact CD1-CB 3.68Å; L145-F184 HydrophobicContact CD1-CG 4.4Å; L145-F184 HydrophobicContact CD2-CB 4.26Å; L145-F184 HydrophobicContact CD2-CD2 4.07Å; L145-F184 HydrophobicContact CD2-CG 4.4Å; L145-F184 HydrophobicContact CG-CB 3.92Å; L145-F184 HydrophobicContact CG-CD2 4.22Å; L145-F184 HydrophobicContact CG-CG 4.11Å; V164-F184 WeakPolarHBondContact CG2-O 3.36Å; A165-F184 PolarHBondContact N-O 3.22Å; A165-F184 PolarHBondContact O-N 2.89Å; V167-F184 HydrophobicContact CB-CE2 4.06Å; V167-F184 HydrophobicContact CG2-CD2 3.83Å; V167-F184 HydrophobicContact CG2-CE2 3.76Å; G182-F184 VanDerWaalsContact C-CE2 3.46Å; F184-Y219 HydrophobicContact CB-CD2 4.36Å; F184-Y219 AromaticContact CD1-CD2 3.68Å; F184-Y219 HydrophobicContact CD1-CD2 3.68Å; F184-Y219 AromaticContact CD1-CE2 3.83Å; F184-Y219 HydrophobicContact CD1-CE2 3.83Å; F184-Y219 HydrophobicContact CE1-CD2 4.38Å; F184-Y219 HydrophobicContact CE1-CE2 4.08Å; F184-Y219 HydrophobicContact CG-CD2 4.28Å; F184-Y220 VanDerWaalsContact CA-O 3.3Å; F184-Y220 WeakPolarHBondContact CA-O 3.24Å; F184-A221 HydrophobicContact CD1-CB 4.01Å; F184-A221 HydrophobicContact CE1-CB 3.9Å
185R97Very high87.4Confident9 Ų959.3 Ų59.33%0.03434%0.341CS..EExtended strand (participates in β ladder)trans-134.8143.1170-75.2-179.157.787.81.2110.4E161 F163 V164 Y219 Y220 L222E161-R185 IonicContact OE1-CZ 2.6Å; E161-R185 IonicContact OE1-NH1 3.24Å; E161-R185 PolarHBondContact OE1-NH1 3.37Å; E161-R185 IonicContact OE1-NH2 2.74Å; E161-R185 PolarHBondContact OE1-NH2 3.31Å; E161-R185 IonicContact OE2-NH2 2.93Å; E161-R185 PolarHBondContact OE2-NH2 3.34Å; F163-R185 PolarHBondContact O-NH1 3.05Å; V164-R185 HydrophobicContact CG2-CG 4.32Å; R185-Y219 CarbonylContact O-C 3.47Å; R185-Y219 WeakPolarHBondContact O-CA 3.32Å; R185-Y219 WeakPolarHBondContact O-CB 3.37Å; R185-Y220 HydrophobicContact CB-CD1 4.44Å; R185-Y220 HydrophobicContact CB-CE1 3.81Å; R185-Y220 HydrophobicContact CB-CE2 4.14Å; R185-Y220 PolarHBondContact N-O 3.42Å; R185-Y220 VanDerWaalsContact N-O 3.09Å; R185-Y220 PolarHBondContact NE-OH 3.29Å; R185-Y220 WeakPolarHBondContact O-CD1 3.39Å; R185-Y220 PolarHBondContact O-N 3.08Å; R185-L222 HydrophobicContact CB-CD1 4.1Å; R185-L222 HydrophobicContact CG-CD1 3.81Å
186T95.8Very high86.5Confident3 Ų366 Ų662%0.01837%0.371CS..EExtended strand (participates in β ladder)trans-89.5150.3-179.454.50000111.3L145 V150 Q153 M154 Q157 Q218L145-T186 HydrophobicContact CD1-CG2 4.12Å; V150-T186 HydrophobicContact CB-CG2 4.24Å; V150-T186 HydrophobicContact CG1-CG2 3.87Å; V150-T186 HydrophobicContact CG2-CG2 4.25Å; Q153-T186 HydrophobicContact CB-CG2 3.86Å; Q153-T186 HydrophobicContact CG-CG2 3.7Å; M154-T186 HydrophobicContact CG-CG2 4.28Å; M154-T186 WeakPolarHBondContact CG-OG1 3.43Å; Q157-T186 PolarHBondContact NE2-O 2.99Å; Q157-T186 PolarHBondContact OE1-OG1 3.41Å; T186-Q218 WeakPolarHBondContact CA-O 3.32Å
187Y94.4Very high85.6Confident22 Ų2266 Ų669%0.08638%0.376CS..PPolyproline II helixtrans-78.7145.9169.1-63.1-61.8000110.9H48 Y191 P193 Q218 Y220H48-Y187 AromaticContact CE1-CE1 3.27Å; H48-Y187 WeakPolarHBondContact CE1-CE1 3.32Å; H48-Y187 AromaticContact CE1-CZ 3.74Å; H48-Y187 PolarHBondContact CE1-OH 3.24Å; H48-Y187 AromaticContact ND1-CE1 3.94Å; H48-Y187 AromaticContact NE2-CE1 3.41Å; H48-Y187 WeakPolarHBondContact NE2-CE1 3.48Å; H48-Y187 AromaticContact NE2-CZ 3.53Å; H48-Y187 PolarHBondContact NE2-OH 2.98Å; Y187-Y191 AromaticContact CD1-CD1 3.42Å; Y187-Y191 HydrophobicContact CD1-CD1 3.42Å; Y187-Y191 VanDerWaalsContact CD1-CD1 3.42Å; Y187-Y191 AromaticContact CD1-CE1 3.46Å; Y187-Y191 HydrophobicContact CD1-CE1 3.46Å; Y187-Y191 VanDerWaalsContact CD1-CE1 3.46Å; Y187-Y191 HydrophobicContact CE1-CD1 4.11Å; Y187-Y191 AromaticContact CE1-CE1 3.68Å; Y187-Y191 HydrophobicContact CE1-CE1 3.68Å; Y187-Y191 AromaticContact CG-CD1 3.67Å; Y187-Y191 HydrophobicContact CG-CD1 3.67Å; Y187-Y191 HydrophobicContact CG-CE1 4.11Å; Y187-P193 HydrophobicContact CD2-CB 4.29Å; Y187-P193 HydrophobicContact CD2-CG 4.4Å; Y187-P193 HydrophobicContact CE1-CB 4.49Å; Y187-P193 HydrophobicContact CE2-CB 3.67Å; Y187-P193 HydrophobicContact CE2-CG 4.06Å; Y187-Q218 PolarHBondContact N-O 2.99Å; Y187-Y220 HydrophobicContact CD1-CD1 4.14Å; Y187-Y220 HydrophobicContact CD1-CE1 4.34Å; Y187-Y220 AromaticContact CE1-CD1 3.45Å; Y187-Y220 HydrophobicContact CE1-CD1 3.45Å; Y187-Y220 VanDerWaalsContact CE1-CD1 3.45Å; Y187-Y220 AromaticContact CE1-CE1 3.91Å; Y187-Y220 HydrophobicContact CE1-CE1 3.91Å; Y187-Y220 HydrophobicContact CE1-CG 4.43Å; Y187-Y220 HydrophobicContact CE2-CD1 4.33Å; Y187-Y220 AromaticContact CZ-CD1 3.59Å; Y187-Y220 WeakPolarHBondContact OH-CB 3.38Å
188P92.4Very high84.8Confident55 Ų5567.2 Ų67.236%0.35737%0.372SS..PPolyproline II helixtrans-61.3152.1171.6-24.736.4000112.4G190 Y191P188-G190 PolarHBondContact O-N 2.94Å; P188-Y191 WeakPolarHBondContact O-CB 3.29Å; P188-Y191 PolarHBondContact O-N 2.89Å
189K88.4Confident83.6Confident199 Ų19967.3 Ų67.387%0.86539%0.386SS*.THydrogen-bonded Turntrans-57.2125.4178.5-167.6176.2-177.1176.80110.6M154M154-K189 HydrophobicContact CE-CB 3.97Å
190G85.4Confident82.4Confident80 Ų8073.4 Ų73.483%0.82541%0.413SS*.THydrogen-bonded Turntrans90.5-6.7179.100000115P188P188-G190 PolarHBondContact O-N 2.94Å
191Y87.8Confident81.4Confident77 Ų7776.3 Ų76.330%0.30242%0.423SS..PPolyproline II helixtrans-74.1131.2169.1-177.2-100.3000110.1H47 H48 Y187 P188 P193H47-Y191 AromaticContact CE1-CD2 3.78Å; H47-Y191 AromaticContact ND1-CD2 3.16Å; H47-Y191 WeakPolarHBondContact ND1-CD2 3.13Å; H47-Y191 AromaticContact ND1-CE2 3.44Å; H47-Y191 WeakPolarHBondContact ND1-CE2 3.49Å; H47-Y191 AromaticContact ND1-CG 3.62Å; H48-Y191 AromaticContact CE1-CE1 3.93Å; H48-Y191 PolarHBondContact CE1-OH 2.92Å; H48-Y191 PolarHBondContact ND1-OH 2.85Å; Y187-Y191 AromaticContact CD1-CD1 3.42Å; Y187-Y191 HydrophobicContact CD1-CD1 3.42Å; Y187-Y191 VanDerWaalsContact CD1-CD1 3.42Å; Y187-Y191 AromaticContact CD1-CE1 3.46Å; Y187-Y191 HydrophobicContact CD1-CE1 3.46Å; Y187-Y191 VanDerWaalsContact CD1-CE1 3.46Å; Y187-Y191 HydrophobicContact CE1-CD1 4.11Å; Y187-Y191 AromaticContact CE1-CE1 3.68Å; Y187-Y191 HydrophobicContact CE1-CE1 3.68Å; Y187-Y191 AromaticContact CG-CD1 3.67Å; Y187-Y191 HydrophobicContact CG-CD1 3.67Å; Y187-Y191 HydrophobicContact CG-CE1 4.11Å; P188-Y191 WeakPolarHBondContact O-CB 3.29Å; P188-Y191 PolarHBondContact O-N 2.89Å; Y191-P193 HydrophobicContact CE1-CB 4.39Å
192K83.9Confident80.6Confident186 Ų18677.5 Ų77.581%0.80943%0.428SS*.PPolyproline II helixtrans-100.4118.1170.5-73-174.1177.7-177.20108.1
193P82.6Confident79.8Confident41 Ų4177.2 Ų77.227%0.26642%0.423SS..PPolyproline II helixtrans-62.3151.6175.227.5-33.8000110.2Y187 Y191Y187-P193 HydrophobicContact CD2-CB 4.29Å; Y187-P193 HydrophobicContact CD2-CG 4.4Å; Y187-P193 HydrophobicContact CE1-CB 4.49Å; Y187-P193 HydrophobicContact CE2-CB 3.67Å; Y187-P193 HydrophobicContact CE2-CG 4.06Å; Y191-P193 HydrophobicContact CE1-CB 4.39Å
194P77.9Confident79.4Confident72 Ų7277.6 Ų77.647%0.46843%0.425SS..PPolyproline II helixtrans-54.1146.1159.815.2-12.7000107.9E196P194-E196 PolarHBondContact O-N 2.93Å
195D64.3Low78.8Confident155 Ų15577.6 Ų77.683%0.82943%0.427SS*.SBendtrans-70.655.8-166-135.4-0.1000112.7K217D195-K217 IonicContact OD1-NZ 3.65Å
196E59.2Low78.2Confident155 Ų15578.3 Ų78.372%0.72443%0.431SS*.PPolyproline II helixtrans-86.9120.4172.8-72.5-166.6165.400108.7P194P194-E196 PolarHBondContact O-N 2.93Å
197G57.6Low77.7Confident53 Ų5384.4 Ų84.455%0.54646%0.463SS..PPolyproline II helixtrans-66171171.400000111.9S199G197-S199 PolarHBondContact O-N 2.94Å
198P58.7Low77.3Confident90 Ų9084.9 Ų84.958%0.58447%0.466SS*.PPolyproline II helixtrans-55.3127.2177.220.8-30.4000110.9E200P198-E200 PolarHBondContact O-N 3.28Å
199S58.3Low77Confident113 Ų11385.4 Ų85.479%0.7947%0.465SS*.SBendtrans-67.3-15.8-170.5-174.30000114.5G197G197-S199 PolarHBondContact O-N 2.94Å
200E65.4Low76.7Confident151 Ų15183.6 Ų83.671%0.70646%0.46SS*.SBendtrans-154129.6179.8-159.8169.2-170.500111.6P198P198-E200 PolarHBondContact O-N 3.28Å
201Y72.9Confident76.7Confident96 Ų9682.4 Ų82.438%0.37643%0.434SS..  trans-73.6127.7176.5175-97.5000110.6R303 D304Y201-R303 HydrophobicContact CE1-CB 4.05Å; Y201-D304 PolarHBondContact OH-OD1 3.48Å; Y201-D304 VanDerWaalsContact OH-OD1 3.12Å
202Q78.4Confident76.5Confident46 Ų4680.9 Ų80.922%0.21543%0.43CS..  trans-128.4142.1171.1-63.6-176.452.700109.8C143 I204C143-Q202 PolarHBondContact O-NE2 3.14Å; Q202-I204 HydrophobicContact CB-CD1 4.21Å; Q202-I204 PolarHBondContact O-N 3.32Å
203T81.3Confident76.4Confident4 Ų474.3 Ų74.33%0.02542%0.415CS..  trans-62.4116.6169.2-58.10000108.6R172 D304R172-T203 PolarHBondContact NH1-O 3.47Å; R172-T203 PolarHBondContact NH2-O 2.7Å; T203-D304 VanDerWaalsContact CB-OD1 3.25Å; T203-D304 WeakPolarHBondContact CB-OD1 3.39Å; T203-D304 HydrophobicContact CG2-CB 4.2Å; T203-D304 VanDerWaalsContact CG2-CG 3.44Å; T203-D304 WeakPolarHBondContact CG2-OD1 3.26Å; T203-D304 PolarHBondContact OG1-OD1 3.11Å
204I87.8Confident76.5Confident10 Ų1077 Ų775%0.05143%0.43CS..  trans-110.9130.7174.1-53.7-54.8000107.6Y141 W144 Q202 K208 I209 F212 K270Y141-I204 WeakPolarHBondContact O-CD1 3.49Å; W144-I204 HydrophobicContact CG-CD1 4.49Å; Q202-I204 HydrophobicContact CB-CD1 4.21Å; Q202-I204 PolarHBondContact O-N 3.32Å; I204-K208 HydrophobicContact CG2-CB 3.68Å; I204-I209 HydrophobicContact CG2-CB 4.45Å; I204-F212 HydrophobicContact CG1-CD1 4.35Å; I204-F212 HydrophobicContact CG1-CG 4.29Å; I204-F212 HydrophobicContact CG2-CB 4.4Å; I204-K270 WeakPolarHBondContact O-CE 3.37Å; I204-K270 PolarHBondContact O-NZ 3.09Å
205P86.3Confident77Confident13 Ų1375.2 Ų75.28%0.08442%0.415CS..  trans-58.5151.3173.2-28.339.1000112.8N207 K208 I209 D266P205-N207 VanDerWaalsContact C-N 3.29Å; P205-N207 WeakPolarHBondContact CB-OD1 3.35Å; P205-N207 PolarHBondContact O-N 3.11Å; P205-K208 PolarHBondContact O-N 2.89Å; P205-I209 PolarHBondContact O-N 3.19Å; P205-I209 VanDerWaalsContact O-N 3.09Å; P205-D266 VanDerWaalsContact CA-OD1 3.31Å; P205-D266 WeakPolarHBondContact CA-OD1 3.49Å
206L83.7Confident78Confident23 Ų2369 Ų6912%0.1238%0.384CS..Hα-helixtrans-58.4-38.8-176.7-78174.4000112.9K208 I209 D266 E269 K270L206-K208 PolarHBondContact O-N 3.3Å; L206-K208 VanDerWaalsContact O-N 3.08Å; L206-I209 WeakPolarHBondContact O-CG2 3.24Å; L206-I209 PolarHBondContact O-N 3.4Å; L206-D266 PolarHBondContact N-OD1 3.17Å; L206-E269 HydrophobicContact CD1-CB 3.43Å; L206-E269 VanDerWaalsContact CD1-CB 3.43Å; L206-K270 HydrophobicContact CD1-CG 3.73Å; L206-K270 HydrophobicContact CD2-CG 3.74Å; L206-K270 HydrophobicContact CG-CD 4.41Å; L206-K270 HydrophobicContact CG-CG 3.61Å
207N85.5Confident79.4Confident131 Ų13167.5 Ų67.570%0.70138%0.375SS*.Hα-helixtrans-66.6-8.3177.669.2-36.1000114.1P205P205-N207 VanDerWaalsContact C-N 3.29Å; P205-N207 WeakPolarHBondContact CB-OD1 3.35Å; P205-N207 PolarHBondContact O-N 3.11Å
208K86.1Confident81Confident33 Ų3368.2 Ų68.214%0.14336%0.364CS..Hα-helixtrans-118.3-12.9-179.8-64.8-63.1178.1178.60114E102 Y141 W144 I204 P205 L206 E210 D211 F212E102-K208 WeakPolarHBondContact OE1-CE 3.43Å; E102-K208 IonicContact OE1-NZ 2.73Å; E102-K208 PolarHBondContact OE1-NZ 3.33Å; E102-K208 IonicContact OE2-NZ 3.89Å; E102-K208 PolarHBondContact OE2-NZ 3.3Å; Y141-K208 HydrophobicContact CD2-CG 4.5Å; W144-K208 HydrophobicContact CH2-CB 4.24Å; W144-K208 HydrophobicContact CH2-CD 4.35Å; W144-K208 HydrophobicContact CZ2-CB 3.82Å; W144-K208 HydrophobicContact CZ2-CD 4.18Å; W144-K208 HydrophobicContact CZ2-CG 4.24Å; I204-K208 HydrophobicContact CG2-CB 3.68Å; P205-K208 PolarHBondContact O-N 2.89Å; L206-K208 PolarHBondContact O-N 3.3Å; L206-K208 VanDerWaalsContact O-N 3.08Å; K208-E210 VanDerWaalsContact C-N 3.31Å; K208-E210 PolarHBondContact O-N 3.23Å; K208-D211 PolarHBondContact O-N 3.42Å; K208-F212 WeakPolarHBondContact O-CB 3.31Å; K208-F212 PolarHBondContact O-N 2.85Å
209I84.7Confident82.6Confident66 Ų6665 Ų6534%0.33834%0.34SS..Hα-helixtrans-67.8-31.2-170-157.6168.5000113I204 P205 L206 G213I204-I209 HydrophobicContact CG2-CB 4.45Å; P205-I209 PolarHBondContact O-N 3.19Å; P205-I209 VanDerWaalsContact O-N 3.09Å; L206-I209 WeakPolarHBondContact O-CG2 3.24Å; L206-I209 PolarHBondContact O-N 3.4Å; I209-G213 PolarHBondContact O-N 2.95Å
210E83.8Confident84.3Confident160 Ų16060.8 Ų60.875%0.74831%0.307SS*.Hα-helixtrans-68.6-50.4178.3-65.4-175.3175.700111.1K208 F212 G213 V214K208-E210 VanDerWaalsContact C-N 3.31Å; K208-E210 PolarHBondContact O-N 3.23Å; E210-F212 VanDerWaalsContact C-N 3.34Å; E210-F212 PolarHBondContact O-N 3.28Å; E210-G213 PolarHBondContact O-N 2.83Å; E210-G213 VanDerWaalsContact O-N 3.11Å; E210-V214 WeakPolarHBondContact O-CG2 3.5Å; E210-V214 PolarHBondContact O-N 3.49Å
211D84.5Confident85.7Confident55 Ų5556.1 Ų56.129%0.29429%0.294SS..Hα-helixtrans-60.3-45.2177.7-172.455.5000111.1W144 S146 G147 K208 G213 V214 H215W144-D211 HydrophobicContact CH2-CB 4.33Å; W144-D211 HydrophobicContact CZ3-CB 4.43Å; W144-D211 WeakPolarHBondContact CZ3-OD2 3.3Å; S146-D211 VanDerWaalsContact CA-OD2 3.26Å; S146-D211 WeakPolarHBondContact CA-OD2 3.49Å; S146-D211 WeakPolarHBondContact CB-OD2 3.12Å; G147-D211 PolarHBondContact N-OD1 3.44Å; G147-D211 PolarHBondContact N-OD2 3.03Å; K208-D211 PolarHBondContact O-N 3.42Å; D211-G213 VanDerWaalsContact C-N 3.34Å; D211-G213 PolarHBondContact O-N 3.3Å; D211-V214 PolarHBondContact O-N 3.44Å; D211-H215 PolarHBondContact O-CD2 3.39Å; D211-H215 PolarHBondContact O-N 3Å; D211-H215 VanDerWaalsContact O-N 3.16Å; D211-H215 IonicContact OD1-CD2 3.41Å; D211-H215 PolarHBondContact OD1-CD2 2.95Å; D211-H215 VanDerWaalsContact OD1-CD2 3.25Å; D211-H215 IonicContact OD1-NE2 3.2Å
212F84.5Confident86.8Confident46 Ų4652 Ų5220%0.20228%0.279CS..Hα-helixtrans-55.7-47.9172.4174.4-99.9000111.9W144 I204 K208 E210 V214 H215 C216W144-F212 HydrophobicContact CB-CD2 3.83Å; W144-F212 HydrophobicContact CB-CE2 3.89Å; W144-F212 HydrophobicContact CD2-CB 4.31Å; W144-F212 AromaticContact CD2-CD2 3.75Å; W144-F212 HydrophobicContact CD2-CD2 3.75Å; W144-F212 HydrophobicContact CD2-CG 4.5Å; W144-F212 HydrophobicContact CE3-CB 3.94Å; W144-F212 AromaticContact CE3-CD2 3.74Å; W144-F212 HydrophobicContact CE3-CD2 3.74Å; W144-F212 HydrophobicContact CE3-CG 4.35Å; W144-F212 AromaticContact CG-CD2 3.78Å; W144-F212 HydrophobicContact CG-CD2 3.78Å; W144-F212 HydrophobicContact CG-CE2 4.27Å; W144-F212 HydrophobicContact CH2-CB 4.31Å; W144-F212 HydrophobicContact CZ3-CB 3.9Å; I204-F212 HydrophobicContact CG1-CD1 4.35Å; I204-F212 HydrophobicContact CG1-CG 4.29Å; I204-F212 HydrophobicContact CG2-CB 4.4Å; K208-F212 WeakPolarHBondContact O-CB 3.31Å; K208-F212 PolarHBondContact O-N 2.85Å; E210-F212 VanDerWaalsContact C-N 3.34Å; E210-F212 PolarHBondContact O-N 3.28Å; F212-V214 VanDerWaalsContact C-N 3.3Å; F212-V214 PolarHBondContact O-N 3.02Å; F212-H215 PolarHBondContact O-N 3.45Å; F212-C216 HydrophobicContact CD2-CB 4.38Å; F212-C216 HydrophobicContact CE1-CB 4.26Å; F212-C216 HydrophobicContact CE2-CB 4.01Å; F212-C216 HydrophobicContact CZ-CB 3.95Å; F212-C216 WeakPolarHBondContact O-CB 3.43Å; F212-C216 PolarHBondContact O-N 3.45Å
213G82Confident87.7Confident48 Ų4854.6 Ų54.650%0.49529%0.291SS..Hα-helixtrans-62.7-32.5-178.400000114.1I209 E210 D211I209-G213 PolarHBondContact O-N 2.95Å; E210-G213 PolarHBondContact O-N 2.83Å; E210-G213 VanDerWaalsContact O-N 3.11Å; D211-G213 VanDerWaalsContact C-N 3.34Å; D211-G213 PolarHBondContact O-N 3.3Å
214V84.8Confident88.4Confident96 Ų9656.1 Ų56.158%0.58230%0.3SS*.Hα-helixtrans-75.5-38178.31740000111.8E210 D211 F212 Q218E210-V214 WeakPolarHBondContact O-CG2 3.5Å; E210-V214 PolarHBondContact O-N 3.49Å; D211-V214 PolarHBondContact O-N 3.44Å; F212-V214 VanDerWaalsContact C-N 3.3Å; F212-V214 PolarHBondContact O-N 3.02Å; V214-Q218 PolarHBondContact O-NE2 3.47Å
215H87Confident88.8Confident35 Ų3556.9 Ų56.916%0.16231%0.305CS..Hα-helixtrans-104.2-13.1-168.5-67.3-74.9000114.9G147 V150 D211 F212 K217 Q218 Y219G147-H215 VanDerWaalsContact CA-CD2 3.46Å; G147-H215 WeakPolarHBondContact CA-CD2 3.46Å; G147-H215 WeakPolarHBondContact CA-NE2 3.49Å; V150-H215 HydrophobicContact CG2-CB 4.32Å; D211-H215 PolarHBondContact O-CD2 3.39Å; D211-H215 PolarHBondContact O-N 3Å; D211-H215 VanDerWaalsContact O-N 3.16Å; D211-H215 IonicContact OD1-CD2 3.41Å; D211-H215 PolarHBondContact OD1-CD2 2.95Å; D211-H215 VanDerWaalsContact OD1-CD2 3.25Å; D211-H215 IonicContact OD1-NE2 3.2Å; F212-H215 PolarHBondContact O-N 3.45Å; H215-K217 PolarHBondContact O-N 3.41Å; H215-Q218 VanDerWaalsContact ND1-CD 3.29Å; H215-Q218 PolarHBondContact ND1-NE2 2.63Å; H215-Q218 VanDerWaalsContact ND1-NE2 3.15Å; H215-Q218 PolarHBondContact ND1-OE1 3.25Å; H215-Q218 VanDerWaalsContact O-CB 3.31Å; H215-Q218 WeakPolarHBondContact O-CB 3.49Å; H215-Q218 PolarHBondContact O-N 2.99Å; H215-Y219 WeakPolarHBondContact O-CD1 3.18Å; H215-Y219 WeakPolarHBondContact O-CE1 3.32Å
216C86Confident89.1Confident25 Ų2557.2 Ų57.217%0.16931%0.305CS..THydrogen-bonded Turntrans-59-22.2-175.764.70000115.4F212F212-C216 HydrophobicContact CD2-CB 4.38Å; F212-C216 HydrophobicContact CE1-CB 4.26Å; F212-C216 HydrophobicContact CE2-CB 4.01Å; F212-C216 HydrophobicContact CZ-CB 3.95Å; F212-C216 WeakPolarHBondContact O-CB 3.43Å; F212-C216 PolarHBondContact O-N 3.45Å
217K88.1Confident89.6Confident123 Ų12357 Ų5754%0.53530%0.303SS..THydrogen-bonded Turntrans-89.3-2.2175.8-62.4-166.8175.5-162.50114D195 H215D195-K217 IonicContact OD1-NZ 3.65Å; H215-K217 PolarHBondContact O-N 3.41Å
218Q91.2Very high89.7Confident69 Ų6952 Ų5232%0.32228%0.275SS..SBendtrans-92.4-3.7-175.7-58.1179.615.100112.5V150 T186 Y187 V214 H215V150-Q218 HydrophobicContact CG1-CB 4.07Å; V150-Q218 HydrophobicContact CG2-CB 4.46Å; T186-Q218 WeakPolarHBondContact CA-O 3.32Å; Y187-Q218 PolarHBondContact N-O 2.99Å; V214-Q218 PolarHBondContact O-NE2 3.47Å; H215-Q218 VanDerWaalsContact ND1-CD 3.29Å; H215-Q218 PolarHBondContact ND1-NE2 2.63Å; H215-Q218 VanDerWaalsContact ND1-NE2 3.15Å; H215-Q218 PolarHBondContact ND1-OE1 3.25Å; H215-Q218 VanDerWaalsContact O-CB 3.31Å; H215-Q218 WeakPolarHBondContact O-CB 3.49Å; H215-Q218 PolarHBondContact O-N 2.99Å
219Y93.6Very high89.8Confident21 Ų2151.2 Ų51.28%0.08227%0.274CS..EExtended strand (participates in β ladder)trans-144.3167.2178.457.7-93.1000111.2W144 L145 V150 F184 R185 H215W144-Y219 WeakPolarHBondContact CB-OH 3.3Å; L145-Y219 HydrophobicContact CB-CD1 3.83Å; L145-Y219 HydrophobicContact CB-CE1 3.69Å; L145-Y219 HydrophobicContact CB-CG 4.36Å; L145-Y219 HydrophobicContact CD1-CD1 4.11Å; L145-Y219 HydrophobicContact CD1-CD2 4.43Å; L145-Y219 HydrophobicContact CD1-CG 3.94Å; L145-Y219 HydrophobicContact CG-CD1 4.27Å; L145-Y219 HydrophobicContact CG-CD2 4.46Å; L145-Y219 HydrophobicContact CG-CE1 4.41Å; L145-Y219 HydrophobicContact CG-CG 4.29Å; L145-Y219 PolarHBondContact N-OH 3.32Å; L145-Y219 WeakPolarHBondContact O-CE1 3.35Å; V150-Y219 HydrophobicContact CG2-CD1 3.76Å; V150-Y219 HydrophobicContact CG2-CE1 4.22Å; F184-Y219 HydrophobicContact CB-CD2 4.36Å; F184-Y219 AromaticContact CD1-CD2 3.68Å; F184-Y219 HydrophobicContact CD1-CD2 3.68Å; F184-Y219 AromaticContact CD1-CE2 3.83Å; F184-Y219 HydrophobicContact CD1-CE2 3.83Å; F184-Y219 HydrophobicContact CE1-CD2 4.38Å; F184-Y219 HydrophobicContact CE1-CE2 4.08Å; F184-Y219 HydrophobicContact CG-CD2 4.28Å; R185-Y219 CarbonylContact O-C 3.47Å; R185-Y219 WeakPolarHBondContact O-CA 3.32Å; R185-Y219 WeakPolarHBondContact O-CB 3.37Å; H215-Y219 WeakPolarHBondContact O-CD1 3.18Å; H215-Y219 WeakPolarHBondContact O-CE1 3.32Å
220Y93.8Very high89.9Confident26 Ų2650 Ų5010%0.10227%0.271CS..EExtended strand (participates in β ladder)trans-127.4154.9170.161.3-85.3000110.6H47 F50 F184 R185 Y187 L222H47-Y220 WeakPolarHBondContact O-CE1 3.4Å; H47-Y220 PolarHBondContact O-OH 2.91Å; F50-Y220 VanDerWaalsContact O-CE2 3.28Å; F50-Y220 WeakPolarHBondContact O-CE2 3.31Å; F184-Y220 VanDerWaalsContact CA-O 3.3Å; F184-Y220 WeakPolarHBondContact CA-O 3.24Å; R185-Y220 HydrophobicContact CB-CD1 4.44Å; R185-Y220 HydrophobicContact CB-CE1 3.81Å; R185-Y220 HydrophobicContact CB-CE2 4.14Å; R185-Y220 PolarHBondContact N-O 3.42Å; R185-Y220 VanDerWaalsContact N-O 3.09Å; R185-Y220 PolarHBondContact NE-OH 3.29Å; R185-Y220 WeakPolarHBondContact O-CD1 3.39Å; R185-Y220 PolarHBondContact O-N 3.08Å; Y187-Y220 HydrophobicContact CD1-CD1 4.14Å; Y187-Y220 HydrophobicContact CD1-CE1 4.34Å; Y187-Y220 AromaticContact CE1-CD1 3.45Å; Y187-Y220 HydrophobicContact CE1-CD1 3.45Å; Y187-Y220 VanDerWaalsContact CE1-CD1 3.45Å; Y187-Y220 AromaticContact CE1-CE1 3.91Å; Y187-Y220 HydrophobicContact CE1-CE1 3.91Å; Y187-Y220 HydrophobicContact CE1-CG 4.43Å; Y187-Y220 HydrophobicContact CE2-CD1 4.33Å; Y187-Y220 AromaticContact CZ-CD1 3.59Å; Y187-Y220 WeakPolarHBondContact OH-CB 3.38Å; Y220-L222 HydrophobicContact CD2-CD1 4Å; Y220-L222 HydrophobicContact CE2-CD1 3.67Å; Y220-L222 HydrophobicContact CE2-CG 4.18Å
221A94.9Very high90Very high52 Ų5247.3 Ų47.343%0.4326%0.261SS..EExtended strand (participates in β ladder)trans-88.7140.1174.500000110.3A183 F184A183-A221 CarbonylContact O-C 3.43Å; A183-A221 WeakPolarHBondContact O-CA 3.49Å; F184-A221 HydrophobicContact CD1-CB 4.01Å; F184-A221 HydrophobicContact CE1-CB 3.9Å
222L96Very high89.9Confident10 Ų1046.8 Ų46.85%0.05226%0.259CS..EExtended strand (participates in β ladder)trans-93149.1171-73.274.7000109.2F50 C53 M88 A183 R185 Y220 V224F50-L222 HydrophobicContact CB-CD2 4.09Å; C53-L222 HydrophobicContact CB-CB 4.07Å; C53-L222 HydrophobicContact CB-CD2 4.25Å; M88-L222 HydrophobicContact SD-CD2 4.36Å; A183-L222 HydrophobicContact CB-CB 4.29Å; A183-L222 PolarHBondContact O-N 3.46Å; R185-L222 HydrophobicContact CB-CD1 4.1Å; R185-L222 HydrophobicContact CG-CD1 3.81Å; Y220-L222 HydrophobicContact CD2-CD1 4Å; Y220-L222 HydrophobicContact CE2-CD1 3.67Å; Y220-L222 HydrophobicContact CE2-CG 4.18Å; L222-V224 PolarHBondContact O-N 3.38Å; L222-V224 VanDerWaalsContact O-N 3.16Å
223E96.3Very high89.8Confident101 Ų10148.3 Ų48.347%0.47226%0.263SS..EExtended strand (participates in β ladder)trans-70.8112.1172.4-177.2178.6171.700109.8K51 Y52 C53K51-E223 PolarHBondContact O-N 3.46Å; Y52-E223 WeakPolarHBondContact CA-O 3.21Å; Y52-E223 HydrophobicContact CD1-CB 3.99Å; Y52-E223 HydrophobicContact CE1-CB 4.5Å; C53-E223 PolarHBondContact N-O 2.84Å
224V96.4Very high89.8Confident36 Ų3651.5 Ų51.522%0.21826%0.263CS..EExtended strand (participates in β ladder)trans-85.4130180-178.60000110.7C53 I55 L181 A183 L222 Y226C53-V224 HydrophobicContact CB-CG2 4.31Å; C53-V224 CarbonylContact O-C 3.6Å; C53-V224 WeakPolarHBondContact O-CA 3.41Å; I55-V224 HydrophobicContact CD1-CG1 3.82Å; I55-V224 HydrophobicContact CG1-CG1 4.25Å; L181-V224 HydrophobicContact CD2-CG1 4.09Å; L181-V224 HydrophobicContact CD2-CG2 4.11Å; A183-V224 HydrophobicContact CB-CG2 3.65Å; L222-V224 PolarHBondContact O-N 3.38Å; L222-V224 VanDerWaalsContact O-N 3.16Å; V224-Y226 HydrophobicContact CG1-CE1 3.89Å
225T95.8Very high89.6Confident25 Ų2551.2 Ų51.215%0.15326%0.258CS..EExtended strand (participates in β ladder)trans-131155170.852.90000110.5C53 K54 I55C53-T225 PolarHBondContact O-N 3Å; K54-T225 CarbonylContact C-O 3.53Å; K54-T225 WeakPolarHBondContact CA-O 2.92Å; K54-T225 WeakPolarHBondContact CG-OG1 3.17Å; I55-T225 PolarHBondContact N-O 2.84Å
226Y93.6Very high89.2Confident20 Ų2052.3 Ų52.38%0.07827%0.265CS..EExtended strand (participates in β ladder)trans-115.3146-179.1-54-70.9000111.6N15 I55 L60 V224N15-Y226 HydrophobicContact CB-CD2 4.01Å; N15-Y226 HydrophobicContact CB-CE2 4.21Å; N15-Y226 WeakPolarHBondContact O-CD2 3.29Å; I55-Y226 HydrophobicContact CB-CD1 3.89Å; I55-Y226 HydrophobicContact CB-CE1 4.11Å; I55-Y226 HydrophobicContact CD1-CE1 4.29Å; I55-Y226 VanDerWaalsContact O-CA 3.32Å; I55-Y226 WeakPolarHBondContact O-CA 3.31Å; L60-Y226 HydrophobicContact CD1-CE1 3.92Å; L60-Y226 HydrophobicContact CD2-CD1 3.77Å; L60-Y226 HydrophobicContact CD2-CE1 3.76Å; L60-Y226 HydrophobicContact CD2-CG 4.31Å; L60-Y226 HydrophobicContact CG-CE1 4.29Å; V224-Y226 HydrophobicContact CG1-CE1 3.89Å
227F92.7Very high88.8Confident20 Ų2055.5 Ų55.59%0.08828%0.277CS..EExtended strand (participates in β ladder)trans-135.7157.8174.469.6-83.6000111.1I26 Y27 K54 I55 S56 A57 I89 M91I26-F227 HydrophobicContact CD1-CD1 3.87Å; I26-F227 HydrophobicContact CD1-CD2 3.95Å; I26-F227 HydrophobicContact CD1-CE1 3.91Å; I26-F227 HydrophobicContact CD1-CE2 3.99Å; I26-F227 HydrophobicContact CD1-CG 3.88Å; I26-F227 HydrophobicContact CD1-CZ 3.97Å; I26-F227 HydrophobicContact CG1-CD2 4.47Å; I26-F227 HydrophobicContact CG1-CE2 4.21Å; I26-F227 HydrophobicContact CG1-CZ 4.35Å; I26-F227 HydrophobicContact CG2-CD2 3.55Å; I26-F227 HydrophobicContact CG2-CE2 3.68Å; I26-F227 HydrophobicContact CG2-CG 4.39Å; Y27-F227 HydrophobicContact CE1-CE2 4.1Å; Y27-F227 AromaticContact CE2-CD2 3.86Å; Y27-F227 HydrophobicContact CE2-CD2 3.86Å; Y27-F227 AromaticContact CE2-CE2 3.86Å; Y27-F227 HydrophobicContact CE2-CE2 3.86Å; Y27-F227 AromaticContact CZ-CD2 3.85Å; Y27-F227 AromaticContact CZ-CE2 3.62Å; K54-F227 HydrophobicContact CB-CD1 3.94Å; K54-F227 HydrophobicContact CB-CE1 3.97Å; I55-F227 VanDerWaalsContact C-CE1 3.47Å; I55-F227 PolarHBondContact O-N 2.84Å; I55-F227 VanDerWaalsContact O-N 3.14Å; S56-F227 CarbonylContact C-O 3.57Å; S56-F227 WeakPolarHBondContact CA-O 3.21Å; S56-F227 VanDerWaalsContact N-CE1 3.28Å; A57-F227 PolarHBondContact N-O 3.48Å; I89-F227 HydrophobicContact CG2-CE1 3.88Å; I89-F227 HydrophobicContact CG2-CZ 3.84Å; M91-F227 HydrophobicContact CE-CE2 4.46Å; M91-F227 HydrophobicContact SD-CE2 4.13Å; M91-F227 HydrophobicContact SD-CZ 3.66Å
228K88.6Confident88.5Confident25 Ų2555 Ų5511%0.10928%0.279CS..  trans-145.3152.717962.6-176.3173.7-168.90109E12 M17 I23 Y27 A57 D232 R233 L236E12-K228 VanDerWaalsContact CD-NZ 3.26Å; E12-K228 IonicContact OE1-NZ 3.68Å; E12-K228 PolarHBondContact OE1-NZ 2.88Å; M17-K228 HydrophobicContact CE-CB 4.41Å; M17-K228 HydrophobicContact CE-CD 4.06Å; M17-K228 HydrophobicContact CE-CG 4.44Å; M17-K228 HydrophobicContact SD-CD 4.03Å; I23-K228 WeakPolarHBondContact CG2-O 3.46Å; Y27-K228 VanDerWaalsContact OH-C 3.3Å; Y27-K228 WeakPolarHBondContact OH-CA 3.35Å; A57-K228 HydrophobicContact CB-CB 3.9Å; K228-D232 HydrophobicContact CB-CB 4.03Å; K228-R233 HydrophobicContact CD-CB 4.34Å; K228-L236 HydrophobicContact CD-CD1 4.02Å
229S88.6Confident87.8Confident16 Ų1656.1 Ų56.111%0.11229%0.287CS..  trans-73.7165.5177.468.10000111.6D24 Y27 L231 D232 R233D24-S229 VanDerWaalsContact OD1-CA 3.29Å; D24-S229 WeakPolarHBondContact OD1-CA 3.37Å; D24-S229 VanDerWaalsContact OD1-CB 3.3Å; D24-S229 WeakPolarHBondContact OD1-CB 3.32Å; Y27-S229 PolarHBondContact OH-N 2.99Å; S229-L231 PolarHBondContact O-N 2.92Å; S229-D232 WeakPolarHBondContact CB-OD2 3.19Å; S229-D232 PolarHBondContact N-OD2 3.03Å; S229-D232 PolarHBondContact O-N 3.3Å; S229-D232 WeakPolarHBondContact OG-CB 3.44Å; S229-D232 PolarHBondContact OG-N 3.13Å; S229-D232 PolarHBondContact OG-OD2 3.1Å; S229-R233 PolarHBondContact O-N 3.23Å
230S86.7Confident86.8Confident41 Ų4157.5 Ų57.529%0.28729%0.292SS..Hα-helixtrans-59.5-33.8172.769.80000112.1D24 K234D24-S230 PolarHBondContact OD1-N 2.88Å; D24-S230 WeakPolarHBondContact OD2-CB 3.43Å; D24-S230 PolarHBondContact OD2-OG 3.11Å; S230-K234 PolarHBondContact O-N 3.36Å
231L84.4Confident86Confident103 Ų10360.3 Ų60.354%0.53931%0.309SS..Hα-helixtrans-73.8-44.6175.2-177.761.4000111.6S229 R233 K234 L235S229-L231 PolarHBondContact O-N 2.92Å; L231-R233 PolarHBondContact O-N 3.37Å; L231-K234 PolarHBondContact O-N 3.13Å; L231-L235 HydrophobicContact CD1-CG 4.35Å; L231-L235 HydrophobicContact CG-CD1 4.01Å; L231-L235 HydrophobicContact CG-CG 4.3Å; L231-L235 WeakPolarHBondContact O-CG 3.4Å; L231-L235 PolarHBondContact O-N 3.06Å
232D83.4Confident85.1Confident45 Ų4566 Ų6624%0.24132%0.324CS..Hα-helixtrans-57.6-39.9176.1-65.5-35.4000110.7K228 S229 K234 L235 L236K228-D232 HydrophobicContact CB-CB 4.03Å; S229-D232 WeakPolarHBondContact CB-OD2 3.19Å; S229-D232 PolarHBondContact N-OD2 3.03Å; S229-D232 PolarHBondContact O-N 3.3Å; S229-D232 WeakPolarHBondContact OG-CB 3.44Å; S229-D232 PolarHBondContact OG-N 3.13Å; S229-D232 PolarHBondContact OG-OD2 3.1Å; D232-K234 VanDerWaalsContact C-N 3.33Å; D232-K234 PolarHBondContact O-N 3.08Å; D232-L235 PolarHBondContact O-N 3.29Å; D232-L236 VanDerWaalsContact O-CB 3.32Å; D232-L236 WeakPolarHBondContact O-CB 3.49Å; D232-L236 WeakPolarHBondContact O-CG 3.39Å; D232-L236 PolarHBondContact O-N 2.62Å
233R82.4Confident84.1Confident77 Ų7771.5 Ų71.529%0.29135%0.345SS..Hα-helixtrans-55.8-47.8174.8-171.6-175.567.273.6-4.6111.6E19 K228 S229 L231 E237E19-R233 IonicContact OE1-NE 3.92Å; K228-R233 HydrophobicContact CD-CB 4.34Å; S229-R233 PolarHBondContact O-N 3.23Å; L231-R233 PolarHBondContact O-N 3.37Å; R233-E237 IonicContact NH1-OE2 2.62Å; R233-E237 PolarHBondContact O-N 3.32Å; R233-E237 VanDerWaalsContact O-N 3.16Å
234K82.1Confident83.3Confident115 Ų11572.3 Ų72.350%0.534%0.344SS..Hα-helixtrans-67.2-41.9178.3-66.2176.6-176176.80111.8S230 L231 D232 E237 L238S230-K234 PolarHBondContact O-N 3.36Å; L231-K234 PolarHBondContact O-N 3.13Å; D232-K234 VanDerWaalsContact C-N 3.33Å; D232-K234 PolarHBondContact O-N 3.08Å; K234-E237 PolarHBondContact O-N 3.35Å; K234-L238 WeakPolarHBondContact O-CG 3.35Å; K234-L238 PolarHBondContact O-N 3.09Å
235L79.2Confident82.7Confident91 Ų9174 Ų7448%0.47635%0.354SS..Hα-helixtrans-64.8-42.6179.2-72.2174.9000111.7L231 D232 E237 L238 L239L231-L235 HydrophobicContact CD1-CG 4.35Å; L231-L235 HydrophobicContact CG-CD1 4.01Å; L231-L235 HydrophobicContact CG-CG 4.3Å; L231-L235 WeakPolarHBondContact O-CG 3.4Å; L231-L235 PolarHBondContact O-N 3.06Å; D232-L235 PolarHBondContact O-N 3.29Å; L235-E237 VanDerWaalsContact C-N 3.32Å; L235-E237 PolarHBondContact O-N 2.88Å; L235-L238 PolarHBondContact O-N 2.75Å; L235-L239 WeakPolarHBondContact O-CB 3.43Å; L235-L239 PolarHBondContact O-N 3.47Å
236L79.4Confident82Confident57 Ų5777 Ų7730%0.29837%0.369SS..Hα-helixtrans-63.3-39176.5-72.3169.8000111.6K228 D232 L239 W240K228-L236 HydrophobicContact CD-CD1 4.02Å; D232-L236 VanDerWaalsContact O-CB 3.32Å; D232-L236 WeakPolarHBondContact O-CB 3.49Å; D232-L236 WeakPolarHBondContact O-CG 3.39Å; D232-L236 PolarHBondContact O-N 2.62Å; L236-L239 PolarHBondContact O-N 3.03Å; L236-W240 VanDerWaalsContact O-CB 3.28Å; L236-W240 WeakPolarHBondContact O-CB 3.38Å; L236-W240 PolarHBondContact O-N 2.9Å
237E78.8Confident81.3Confident93 Ų9379.7 Ų79.744%0.43539%0.388SS..Hα-helixtrans-62.5-43.1174.5-173.3176.1-175.700111.8R233 K234 L235 W240 N241R233-E237 IonicContact NH1-OE2 2.62Å; R233-E237 PolarHBondContact O-N 3.32Å; R233-E237 VanDerWaalsContact O-N 3.16Å; K234-E237 PolarHBondContact O-N 3.35Å; L235-E237 VanDerWaalsContact C-N 3.32Å; L235-E237 PolarHBondContact O-N 2.88Å; E237-W240 PolarHBondContact O-N 2.96Å; E237-N241 PolarHBondContact O-N 3.1Å; E237-N241 PolarHBondContact O-ND2 2.91Å
238L81.7Confident80.7Confident111 Ų11181.4 Ų81.458%0.58140%0.398SS*.Hα-helixtrans-67.4-39.5174.9-68.1175.6000112.7K234 L235 W240 N241K234-L238 WeakPolarHBondContact O-CG 3.35Å; K234-L238 PolarHBondContact O-N 3.09Å; L235-L238 PolarHBondContact O-N 2.75Å; L238-W240 VanDerWaalsContact C-N 3.3Å; L238-N241 WeakPolarHBondContact O-CB 3.35Å; L238-N241 PolarHBondContact O-N 3.33Å
239L74.8Confident80.4Confident93 Ų9383.9 Ų83.949%0.48742%0.418SS..Hα-helixtrans-63.4-42.3177.5-162.7113.1000110.2L235 L236 N241 K242 Y243L235-L239 WeakPolarHBondContact O-CB 3.43Å; L235-L239 PolarHBondContact O-N 3.47Å; L236-L239 PolarHBondContact O-N 3.03Å; L239-N241 VanDerWaalsContact C-N 3.26Å; L239-N241 PolarHBondContact O-N 3.4Å; L239-K242 PolarHBondContact O-N 2.83Å; L239-Y243 HydrophobicContact CD1-CD2 4.39Å; L239-Y243 HydrophobicContact CD1-CE2 4.17Å; L239-Y243 HydrophobicContact CD2-CD2 3.88Å; L239-Y243 HydrophobicContact CD2-CE2 4.28Å; L239-Y243 HydrophobicContact CD2-CG 4.11Å; L239-Y243 HydrophobicContact CG-CD2 3.66Å; L239-Y243 HydrophobicContact CG-CE2 3.95Å; L239-Y243 HydrophobicContact CG-CG 4.38Å; L239-Y243 WeakPolarHBondContact O-CB 3.44Å; L239-Y243 WeakPolarHBondContact O-CD2 3.34Å; L239-Y243 PolarHBondContact O-N 2.97Å
240W74.3Confident80Confident50 Ų5086.1 Ų86.119%0.18943%0.434CS..Hα-helixtrans-59.1-36.1178.5-169.2-104.7000112.7S4 A7 Q8 L236 E237 L238 K242 Y243 W244S4-W240 VanDerWaalsContact CB-NE1 3.29Å; S4-W240 VanDerWaalsContact O-CD1 3.31Å; S4-W240 PolarHBondContact O-NE1 2.97Å; A7-W240 HydrophobicContact CB-CH2 3.93Å; A7-W240 HydrophobicContact CB-CZ2 3.28Å; Q8-W240 HydrophobicContact CB-CD2 4.47Å; Q8-W240 HydrophobicContact CB-CG 4.47Å; L236-W240 VanDerWaalsContact O-CB 3.28Å; L236-W240 WeakPolarHBondContact O-CB 3.38Å; L236-W240 PolarHBondContact O-N 2.9Å; E237-W240 PolarHBondContact O-N 2.96Å; L238-W240 VanDerWaalsContact C-N 3.3Å; W240-K242 PolarHBondContact O-N 3.29Å; W240-K242 VanDerWaalsContact O-N 3.14Å; W240-Y243 PolarHBondContact O-N 3.36Å; W240-W244 PolarHBondContact O-N 3.12Å; W240-W244 VanDerWaalsContact O-N 3.11Å
241N76.7Confident79.8Confident85 Ų8585.2 Ų85.246%0.45543%0.427SS..Hα-helixtrans-61.3-21.4175-68.4-28.2000114E237 L238 L239 W244E237-N241 PolarHBondContact O-N 3.1Å; E237-N241 PolarHBondContact O-ND2 2.91Å; L238-N241 WeakPolarHBondContact O-CB 3.35Å; L238-N241 PolarHBondContact O-N 3.33Å; L239-N241 VanDerWaalsContact C-N 3.26Å; L239-N241 PolarHBondContact O-N 3.4Å; N241-W244 PolarHBondContact O-NE1 3.2Å
242K74.7Confident79.6Confident173 Ų17381.9 Ų81.975%0.75241%0.413SS*.Hα-helixtrans-101.9-34.1174.4-67.5-171176.2-1750113.2L239 W240L239-K242 PolarHBondContact O-N 2.83Å; W240-K242 PolarHBondContact O-N 3.29Å; W240-K242 VanDerWaalsContact O-N 3.14Å
243Y75.2Confident79.6Confident124 Ų12482.5 Ų82.549%0.48642%0.416SS..Hα-helixtrans-91.8-8.8-170.1-85.7-101.2000115.1L239 W240 V245 N246L239-Y243 HydrophobicContact CD1-CD2 4.39Å; L239-Y243 HydrophobicContact CD1-CE2 4.17Å; L239-Y243 HydrophobicContact CD2-CD2 3.88Å; L239-Y243 HydrophobicContact CD2-CE2 4.28Å; L239-Y243 HydrophobicContact CD2-CG 4.11Å; L239-Y243 HydrophobicContact CG-CD2 3.66Å; L239-Y243 HydrophobicContact CG-CE2 3.95Å; L239-Y243 HydrophobicContact CG-CG 4.38Å; L239-Y243 WeakPolarHBondContact O-CB 3.44Å; L239-Y243 WeakPolarHBondContact O-CD2 3.34Å; L239-Y243 PolarHBondContact O-N 2.97Å; W240-Y243 PolarHBondContact O-N 3.36Å; Y243-V245 PolarHBondContact O-N 3.39Å; Y243-N246 VanDerWaalsContact CD1-ND2 3.3Å; Y243-N246 WeakPolarHBondContact CD1-ND2 3.25Å; Y243-N246 WeakPolarHBondContact O-CB 3.14Å; Y243-N246 PolarHBondContact O-N 2.88Å
244W79.9Confident79.7Confident119 Ų11985.3 Ų85.345%0.45144%0.436SS..Hα-helixtrans-54.5-29.217867.9-86.3000113.5W240 N241 N246 T247 L248W240-W244 PolarHBondContact O-N 3.12Å; W240-W244 VanDerWaalsContact O-N 3.11Å; N241-W244 PolarHBondContact O-NE1 3.2Å; W244-N246 VanDerWaalsContact C-N 3.28Å; W244-N246 PolarHBondContact O-N 3.15Å; W244-T247 WeakPolarHBondContact O-CB 3.34Å; W244-T247 PolarHBondContact O-N 3.07Å; W244-L248 HydrophobicContact CE3-CD1 3.55Å; W244-L248 HydrophobicContact CE3-CG 4.47Å; W244-L248 HydrophobicContact CZ3-CD1 3.48Å; W244-L248 VanDerWaalsContact CZ3-CD1 3.48Å; W244-L248 PolarHBondContact O-N 3.36Å
245V84.5Confident79.8Confident72 Ų7283.8 Ų83.844%0.43644%0.436SS..Hα-helixtrans-60.4-39175.9-179.20000111.2Y243 T247 L248 S249Y243-V245 PolarHBondContact O-N 3.39Å; V245-T247 VanDerWaalsContact C-N 3.28Å; V245-T247 PolarHBondContact O-N 2.83Å; V245-L248 CarbonylContact O-C 3.56Å; V245-L248 PolarHBondContact O-N 2.8Å; V245-S249 PolarHBondContact O-N 3.2Å; V245-S249 PolarHBondContact O-OG 3.17Å
246N81.1Confident79.9Confident87 Ų8780.2 Ų80.247%0.46542%0.418SS..Hα-helixtrans-64.7-33.7179.1-69.9-14.4000112Y243 W244 L248 S249 S250Y243-N246 VanDerWaalsContact CD1-ND2 3.3Å; Y243-N246 WeakPolarHBondContact CD1-ND2 3.25Å; Y243-N246 WeakPolarHBondContact O-CB 3.14Å; Y243-N246 PolarHBondContact O-N 2.88Å; W244-N246 VanDerWaalsContact C-N 3.28Å; W244-N246 PolarHBondContact O-N 3.15Å; N246-L248 VanDerWaalsContact C-N 3.29Å; N246-L248 PolarHBondContact O-N 3.43Å; N246-S249 WeakPolarHBondContact CA-OG 3.23Å; N246-S249 PolarHBondContact O-N 3.1Å; N246-S249 PolarHBondContact O-OG 3.28Å; N246-S250 WeakPolarHBondContact O-CB 3.44Å; N246-S250 PolarHBondContact O-N 3.45Å
247T77.6Confident80.3Confident76 Ų7679.8 Ų79.847%0.46642%0.419SS..Hα-helixtrans-62.1-40.7173.2-51.90000110.8W244 V245 S250W244-T247 WeakPolarHBondContact O-CB 3.34Å; W244-T247 PolarHBondContact O-N 3.07Å; V245-T247 VanDerWaalsContact C-N 3.28Å; V245-T247 PolarHBondContact O-N 2.83Å; T247-S250 PolarHBondContact O-OG 3.37Å; T247-S250 VanDerWaalsContact O-OG 3.09Å
248L81.1Confident80.8Confident56 Ų5681.2 Ų81.229%0.29343%0.43SS..Hα-helixtrans-85.1-9.5-179.5-63.7177.1000114.6W244 V245 N246 K322 F326W244-L248 HydrophobicContact CE3-CD1 3.55Å; W244-L248 HydrophobicContact CE3-CG 4.47Å; W244-L248 HydrophobicContact CZ3-CD1 3.48Å; W244-L248 VanDerWaalsContact CZ3-CD1 3.48Å; W244-L248 PolarHBondContact O-N 3.36Å; V245-L248 CarbonylContact O-C 3.56Å; V245-L248 PolarHBondContact O-N 2.8Å; N246-L248 VanDerWaalsContact C-N 3.29Å; N246-L248 PolarHBondContact O-N 3.43Å; L248-K322 WeakPolarHBondContact O-CD 3.48Å; L248-K322 WeakPolarHBondContact O-CG 3.49Å; L248-F326 HydrophobicContact CB-CE2 4.45Å; L248-F326 HydrophobicContact CB-CZ 4.42Å; L248-F326 HydrophobicContact CD1-CZ 4.11Å
249S82.4Confident81.1Confident77 Ų7777.1 Ų77.154%0.53841%0.407SS..Hα-helixtrans-105.3-13.4175.665.10000113.2V245 N246V245-S249 PolarHBondContact O-N 3.2Å; V245-S249 PolarHBondContact O-OG 3.17Å; N246-S249 WeakPolarHBondContact CA-OG 3.23Å; N246-S249 PolarHBondContact O-N 3.1Å; N246-S249 PolarHBondContact O-OG 3.28Å
250S78.9Confident81.8Confident64 Ų6474.3 Ų74.345%0.44839%0.394SS..  trans-65.2151.717969.30000113.3N246 T247 K322N246-S250 WeakPolarHBondContact O-CB 3.44Å; N246-S250 PolarHBondContact O-N 3.45Å; T247-S250 PolarHBondContact O-OG 3.37Å; T247-S250 VanDerWaalsContact O-OG 3.09Å; S250-K322 PolarHBondContact O-NZ 2.85Å
251S83.2Confident82.6Confident21 Ų2175.4 Ų75.415%0.14741%0.406CS..  trans-13991.7175.4-169.90000110.5L253 L254 T255 Q319S251-L253 PolarHBondContact O-N 3.36Å; S251-L254 PolarHBondContact O-N 2.93Å; S251-T255 PolarHBondContact O-N 3.47Å; S251-T255 VanDerWaalsContact O-N 3.13Å; S251-T255 PolarHBondContact O-OG1 2.71Å; S251-T255 VanDerWaalsContact O-OG1 3.1Å; S251-Q319 PolarHBondContact OG-NE2 3.32Å
252S80.9Confident83.3Confident33 Ų3372.9 Ų72.923%0.23140%0.4CS..Hα-helixtrans-61-32.3-179.354.90000113L254 T255 N256 G315S252-L254 VanDerWaalsContact C-N 3.28Å; S252-L254 PolarHBondContact O-N 3.27Å; S252-T255 PolarHBondContact O-N 2.86Å; S252-N256 PolarHBondContact O-N 3.44Å; S252-N256 VanDerWaalsContact O-N 3.08Å; S252-G315 WeakPolarHBondContact OG-CA 3.27Å
253L82.9Confident84.1Confident59 Ų5965.3 Ų65.331%0.30937%0.368SS..Hα-helixtrans-57.4-38.5176.9-74.8176.7000113.4S251 A312 L316 Q319S251-L253 PolarHBondContact O-N 3.36Å; L253-A312 WeakPolarHBondContact CD2-O 3.37Å; L253-L316 HydrophobicContact CD1-CB 4.27Å; L253-Q319 HydrophobicContact CD1-CG 4.14Å
254L85.4Confident85Confident135 Ų13563.4 Ų63.471%0.70737%0.368SS*.Hα-helixtrans-89.3-35.6-178.2-62.8177.1000111.5S251 S252 N256S251-L254 PolarHBondContact O-N 2.93Å; S252-L254 VanDerWaalsContact C-N 3.28Å; S252-L254 PolarHBondContact O-N 3.27Å; L254-N256 VanDerWaalsContact C-N 3.32Å; L254-N256 PolarHBondContact O-N 2.79Å
255T83.4Confident85.7Confident83 Ų8364.8 Ų64.851%0.50938%0.378SS..Hα-helixtrans-67.7-33.8-179.1-55.20000112.3S251 S252S251-T255 PolarHBondContact O-N 3.47Å; S251-T255 VanDerWaalsContact O-N 3.13Å; S251-T255 PolarHBondContact O-OG1 2.71Å; S251-T255 VanDerWaalsContact O-OG1 3.1Å; S252-T255 PolarHBondContact O-N 2.86Å
256N81.3Confident86.1Confident17 Ų1762.3 Ų62.39%0.09136%0.362CS..THydrogen-bonded Turntrans-114.222.9-175.4-75.112000113.3T171 I174 S175 S252 L254 D258 Y259 T260T171-N256 PolarHBondContact O-ND2 3.45Å; I174-N256 VanDerWaalsContact CB-ND2 3.32Å; I174-N256 WeakPolarHBondContact CB-ND2 3.26Å; I174-N256 VanDerWaalsContact CG2-ND2 3.32Å; I174-N256 WeakPolarHBondContact CG2-ND2 3.2Å; I174-N256 WeakPolarHBondContact CG2-OD1 3.32Å; S175-N256 PolarHBondContact N-ND2 3.37Å; S252-N256 PolarHBondContact O-N 3.44Å; S252-N256 VanDerWaalsContact O-N 3.08Å; L254-N256 VanDerWaalsContact C-N 3.32Å; L254-N256 PolarHBondContact O-N 2.79Å; N256-D258 VanDerWaalsContact C-N 3.3Å; N256-D258 PolarHBondContact O-N 2.65Å; N256-Y259 WeakPolarHBondContact O-CB 3.42Å; N256-Y259 PolarHBondContact O-N 3.13Å; N256-Y259 VanDerWaalsContact O-N 3.15Å; N256-T260 PolarHBondContact O-N 2.82Å; N256-T260 VanDerWaalsContact O-N 3.13Å; N256-T260 PolarHBondContact O-OG1 3.33Å
257S88Confident86.7Confident47 Ų4759.1 Ų59.133%0.32935%0.345SS..Hα-helixtrans-53.6-47.4-175.656.40000112.3Y259 T260 T261S257-Y259 VanDerWaalsContact C-N 3.29Å; S257-Y259 PolarHBondContact O-N 3.06Å; S257-T260 WeakPolarHBondContact CA-OG1 3.46Å; S257-T260 PolarHBondContact O-N 2.99Å; S257-T260 PolarHBondContact O-OG1 3.33Å; S257-T261 WeakPolarHBondContact O-CG2 3.44Å; S257-T261 PolarHBondContact O-N 2.84Å; S257-T261 PolarHBondContact O-OG1 3.03Å
258D88.8Confident87.5Confident123 Ų12359 Ų5966%0.65835%0.348SS*.Hα-helixtrans-65.8-33-176.3-61.6-12.6000112.3N256 T261 G262N256-D258 VanDerWaalsContact C-N 3.3Å; N256-D258 PolarHBondContact O-N 2.65Å; D258-T261 WeakPolarHBondContact CA-OG1 3.43Å; D258-T261 PolarHBondContact O-OG1 2.68Å; D258-G262 PolarHBondContact O-N 3.26Å
259Y88.1Confident88.1Confident25 Ų2561.4 Ų61.410%0.09836%0.357CS..Hα-helixtrans-66.1-50.3173.2167.1-108.2000110.8T171 N256 S257 T261 G262 Q263T171-Y259 HydrophobicContact CG2-CD1 4.03Å; T171-Y259 HydrophobicContact CG2-CD2 3.52Å; T171-Y259 HydrophobicContact CG2-CE2 4.26Å; T171-Y259 HydrophobicContact CG2-CG 3.38Å; N256-Y259 WeakPolarHBondContact O-CB 3.42Å; N256-Y259 PolarHBondContact O-N 3.13Å; N256-Y259 VanDerWaalsContact O-N 3.15Å; S257-Y259 VanDerWaalsContact C-N 3.29Å; S257-Y259 PolarHBondContact O-N 3.06Å; Y259-T261 VanDerWaalsContact C-N 3.35Å; Y259-T261 PolarHBondContact O-N 2.61Å; Y259-G262 PolarHBondContact O-N 2.74Å; Y259-Q263 HydrophobicContact CD2-CG 4.1Å; Y259-Q263 HydrophobicContact CE1-CG 4.06Å; Y259-Q263 HydrophobicContact CE2-CG 3.53Å; Y259-Q263 WeakPolarHBondContact O-CG 3.46Å; Y259-Q263 PolarHBondContact O-N 3.1Å
260T88.6Confident88.5Confident34 Ų3458.7 Ų58.721%0.20934%0.335CS..Hα-helixtrans-60.5-42.4178.920.70000112.3N256 S257 Q263 V264 T308N256-T260 PolarHBondContact O-N 2.82Å; N256-T260 VanDerWaalsContact O-N 3.13Å; N256-T260 PolarHBondContact O-OG1 3.33Å; S257-T260 WeakPolarHBondContact CA-OG1 3.46Å; S257-T260 PolarHBondContact O-N 2.99Å; S257-T260 PolarHBondContact O-OG1 3.33Å; T260-Q263 PolarHBondContact O-N 3.18Å; T260-V264 WeakPolarHBondContact O-CG2 3.47Å; T260-V264 PolarHBondContact O-N 3.26Å; T260-V264 VanDerWaalsContact O-N 3.12Å; T260-T308 HydrophobicContact CG2-CG2 4.49Å
261T92.4Very high89.2Confident73 Ų7359.1 Ų59.145%0.44833%0.333SS..Hα-helixtrans-66.2-40.5176.355.60000111.3S257 D258 Y259 Q263 V264 F265S257-T261 WeakPolarHBondContact O-CG2 3.44Å; S257-T261 PolarHBondContact O-N 2.84Å; S257-T261 PolarHBondContact O-OG1 3.03Å; D258-T261 WeakPolarHBondContact CA-OG1 3.43Å; D258-T261 PolarHBondContact O-OG1 2.68Å; Y259-T261 VanDerWaalsContact C-N 3.35Å; Y259-T261 PolarHBondContact O-N 2.61Å; T261-Q263 PolarHBondContact O-N 2.87Å; T261-V264 WeakPolarHBondContact O-CB 3.34Å; T261-V264 PolarHBondContact O-N 3.1Å; T261-V264 VanDerWaalsContact O-N 3.11Å; T261-F265 VanDerWaalsContact O-CD2 3.26Å; T261-F265 WeakPolarHBondContact O-CD2 3.35Å; T261-F265 PolarHBondContact O-N 2.88Å
262G91.8Very high89.6Confident32 Ų3264.6 Ų64.633%0.3336%0.356SS..Hα-helixtrans-59.1-41.9172.900000113.4D258 Y259 V264 F265 D266D258-G262 PolarHBondContact O-N 3.26Å; Y259-G262 PolarHBondContact O-N 2.74Å; G262-V264 VanDerWaalsContact C-N 3.28Å; G262-V264 PolarHBondContact O-N 3.07Å; G262-F265 PolarHBondContact O-N 3.02Å; G262-D266 PolarHBondContact O-N 2.84Å
263Q91.3Very high90Very high15 Ų1566.9 Ų66.97%0.0736%0.363CS..Hα-helixtrans-64.5-32.3174.2-68-61.4-87.400112.5Y259 T260 T261 L267 T308Y259-Q263 HydrophobicContact CD2-CG 4.1Å; Y259-Q263 HydrophobicContact CE1-CG 4.06Å; Y259-Q263 HydrophobicContact CE2-CG 3.53Å; Y259-Q263 WeakPolarHBondContact O-CG 3.46Å; Y259-Q263 PolarHBondContact O-N 3.1Å; T260-Q263 PolarHBondContact O-N 3.18Å; T261-Q263 PolarHBondContact O-N 2.87Å; Q263-L267 WeakPolarHBondContact O-CB 3.14Å; Q263-L267 PolarHBondContact O-N 3.47Å; Q263-T308 HydrophobicContact CB-CG2 4.18Å
264V94Very high90.2Very high83 Ų8364.4 Ų64.450%0.50335%0.35SS..Hα-helixtrans-69.6-40.3175.2172.50000111.3T260 T261 G262 L267 S268 T308T260-V264 WeakPolarHBondContact O-CG2 3.47Å; T260-V264 PolarHBondContact O-N 3.26Å; T260-V264 VanDerWaalsContact O-N 3.12Å; T261-V264 WeakPolarHBondContact O-CB 3.34Å; T261-V264 PolarHBondContact O-N 3.1Å; T261-V264 VanDerWaalsContact O-N 3.11Å; G262-V264 VanDerWaalsContact C-N 3.28Å; G262-V264 PolarHBondContact O-N 3.07Å; V264-L267 PolarHBondContact O-N 3.34Å; V264-S268 PolarHBondContact O-N 3.38Å; V264-T308 HydrophobicContact CG2-CG2 4.32Å
265F94.7Very high90.4Very high149 Ų14964.7 Ų64.765%0.65435%0.348SS*.Hα-helixtrans-60-49.6172.7-78.9-68.4000111.6T261 G262 L267 S268 E269T261-F265 VanDerWaalsContact O-CD2 3.26Å; T261-F265 WeakPolarHBondContact O-CD2 3.35Å; T261-F265 PolarHBondContact O-N 2.88Å; G262-F265 PolarHBondContact O-N 3.02Å; F265-L267 VanDerWaalsContact C-N 3.33Å; F265-L267 PolarHBondContact O-N 3.38Å; F265-S268 WeakPolarHBondContact O-CB 3.05Å; F265-S268 PolarHBondContact O-N 3.13Å; F265-S268 VanDerWaalsContact O-N 3.15Å; F265-E269 PolarHBondContact O-N 3Å
266D92.6Very high90.6Very high19 Ų1963.5 Ų63.510%0.10235%0.347CS..Hα-helixtrans-60.5-40.7177.2-177.876.1000112.3P205 L206 G262 S268 E269 K270P205-D266 VanDerWaalsContact CA-OD1 3.31Å; P205-D266 WeakPolarHBondContact CA-OD1 3.49Å; L206-D266 PolarHBondContact N-OD1 3.17Å; G262-D266 PolarHBondContact O-N 2.84Å; D266-S268 VanDerWaalsContact C-N 3.34Å; D266-S268 PolarHBondContact O-N 3.1Å; D266-E269 PolarHBondContact O-N 3Å; D266-K270 WeakPolarHBondContact O-CG 3.42Å; D266-K270 PolarHBondContact O-N 3.4Å; D266-K270 WeakPolarHBondContact OD2-CE 3.42Å; D266-K270 IonicContact OD2-NZ 2.73Å; D266-K270 PolarHBondContact OD2-NZ 3.42Å
267L93.2Very high90.7Very high21 Ų2165.6 Ų65.611%0.1136%0.356CS..Hα-helixtrans-63.7-38.4175.917964.8000112.2Q263 V264 F265 K270 L271 A301 D304Q263-L267 WeakPolarHBondContact O-CB 3.14Å; Q263-L267 PolarHBondContact O-N 3.47Å; V264-L267 PolarHBondContact O-N 3.34Å; F265-L267 VanDerWaalsContact C-N 3.33Å; F265-L267 PolarHBondContact O-N 3.38Å; L267-K270 PolarHBondContact O-N 2.94Å; L267-L271 HydrophobicContact CD1-CD1 4.44Å; L267-L271 HydrophobicContact CD1-CG 4.38Å; L267-L271 HydrophobicContact CG-CD1 4.14Å; L267-L271 WeakPolarHBondContact O-CG 3.45Å; L267-L271 PolarHBondContact O-N 3.13Å; L267-A301 HydrophobicContact CD1-CB 4.29Å; L267-A301 WeakPolarHBondContact CD1-O 3.44Å; L267-D304 HydrophobicContact CD1-CB 4.09Å
268S94.9Very high90.4Very high74 Ų7468.1 Ų68.152%0.51737%0.365SS..Hα-helixtrans-59.1-48176.4-172.20000111.1V264 F265 D266 K270 L271 E272V264-S268 PolarHBondContact O-N 3.38Å; F265-S268 WeakPolarHBondContact O-CB 3.05Å; F265-S268 PolarHBondContact O-N 3.13Å; F265-S268 VanDerWaalsContact O-N 3.15Å; D266-S268 VanDerWaalsContact C-N 3.34Å; D266-S268 PolarHBondContact O-N 3.1Å; S268-K270 PolarHBondContact O-N 2.95Å; S268-L271 PolarHBondContact O-N 3.33Å; S268-E272 PolarHBondContact O-N 2.97Å
269E92.8Very high89.7Confident106 Ų10665.7 Ų65.750%0.49537%0.369SS..Hα-helixtrans-64.3-39.1177-68.7-178.9-17200112L206 F265 D266 L271 E272 Q273L206-E269 HydrophobicContact CD1-CB 3.43Å; L206-E269 VanDerWaalsContact CD1-CB 3.43Å; F265-E269 PolarHBondContact O-N 3Å; D266-E269 PolarHBondContact O-N 3Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 3.5Å; E269-E272 PolarHBondContact O-N 3.15Å; E269-Q273 WeakPolarHBondContact O-CG 3.5Å; E269-Q273 PolarHBondContact O-N 3.28Å
270K91.5Very high88.7Confident19 Ų1975.4 Ų75.48%0.08341%0.405CS..Hα-helixtrans-62.3-40175.4-76.3173.3175.3166.80112.4I204 L206 D266 L267 S268 Q273 S274 A301 D304I204-K270 WeakPolarHBondContact O-CE 3.37Å; I204-K270 PolarHBondContact O-NZ 3.09Å; L206-K270 HydrophobicContact CD1-CG 3.73Å; L206-K270 HydrophobicContact CD2-CG 3.74Å; L206-K270 HydrophobicContact CG-CD 4.41Å; L206-K270 HydrophobicContact CG-CG 3.61Å; D266-K270 WeakPolarHBondContact O-CG 3.42Å; D266-K270 PolarHBondContact O-N 3.4Å; D266-K270 WeakPolarHBondContact OD2-CE 3.42Å; D266-K270 IonicContact OD2-NZ 2.73Å; D266-K270 PolarHBondContact OD2-NZ 3.42Å; L267-K270 PolarHBondContact O-N 2.94Å; S268-K270 PolarHBondContact O-N 2.95Å; K270-Q273 PolarHBondContact O-N 3.48Å; K270-S274 PolarHBondContact O-N 3.13Å; K270-A301 HydrophobicContact CB-CB 4.41Å; K270-D304 WeakPolarHBondContact CD-OD2 3.17Å; K270-D304 IonicContact NZ-OD2 3.34Å; K270-D304 PolarHBondContact NZ-OD2 3.12Å
271L92.7Very high87.2Confident74 Ų7477 Ų7739%0.38743%0.428SS..Hα-helixtrans-66.3-42.9177-74.7169.2000111.1L267 S268 E269 Q273 S274 E275 L298 A301L267-L271 HydrophobicContact CD1-CD1 4.44Å; L267-L271 HydrophobicContact CD1-CG 4.38Å; L267-L271 HydrophobicContact CG-CD1 4.14Å; L267-L271 WeakPolarHBondContact O-CG 3.45Å; L267-L271 PolarHBondContact O-N 3.13Å; S268-L271 PolarHBondContact O-N 3.33Å; E269-L271 VanDerWaalsContact C-N 3.33Å; E269-L271 PolarHBondContact O-N 3.5Å; L271-Q273 VanDerWaalsContact C-N 3.33Å; L271-Q273 PolarHBondContact O-N 2.83Å; L271-S274 WeakPolarHBondContact O-CB 3.47Å; L271-S274 PolarHBondContact O-N 3.45Å; L271-S274 PolarHBondContact O-OG 3.26Å; L271-E275 PolarHBondContact O-N 3.45Å; L271-L298 HydrophobicContact CD2-CD1 4.4Å; L271-A301 HydrophobicContact CD2-CB 3.86Å; L271-A301 HydrophobicContact CG-CB 4.34Å
272E92.4Very high85.3Confident136 Ų13678 Ų7864%0.63644%0.439SS*.Hα-helixtrans-58.4-43.7174.3-172.2179.9177.900111.6S268 E269 S274 E275 A276S268-E272 PolarHBondContact O-N 2.97Å; E269-E272 PolarHBondContact O-N 3.15Å; E272-S274 VanDerWaalsContact C-N 3.31Å; E272-S274 PolarHBondContact O-N 3.36Å; E272-E275 PolarHBondContact O-N 3.23Å; E272-A276 PolarHBondContact O-N 2.98Å
273Q88.6Confident83.1Confident81 Ų8185.6 Ų85.638%0.37946%0.463SS..Hα-helixtrans-64.3-34.2174.4-69.8-17424.500113.3E269 K270 L271 Q277E269-Q273 WeakPolarHBondContact O-CG 3.5Å; E269-Q273 PolarHBondContact O-N 3.28Å; K270-Q273 PolarHBondContact O-N 3.48Å; L271-Q273 VanDerWaalsContact C-N 3.33Å; L271-Q273 PolarHBondContact O-N 2.83Å; Q273-Q277 PolarHBondContact O-N 2.64Å
274S88.7Confident81.1Confident6 Ų693.8 Ų93.84%0.04250%0.503CS..Hα-helixtrans-71-37.717779.50000111.8K270 L271 E272 Q277 L278K270-S274 PolarHBondContact O-N 3.13Å; L271-S274 WeakPolarHBondContact O-CB 3.47Å; L271-S274 PolarHBondContact O-N 3.45Å; L271-S274 PolarHBondContact O-OG 3.26Å; E272-S274 VanDerWaalsContact C-N 3.31Å; E272-S274 PolarHBondContact O-N 3.36Å; S274-Q277 WeakPolarHBondContact O-CB 3.49Å; S274-Q277 PolarHBondContact O-N 2.8Å; S274-L278 WeakPolarHBondContact O-CG 3.48Å; S274-L278 PolarHBondContact O-N 2.91Å; S274-L278 VanDerWaalsContact O-N 3.1Å
275E89.3Confident78.9Confident141 Ų14198 Ų9866%0.65952%0.522SS*.Hα-helixtrans-64.6-45.7174.6-175179.2179.500110.8L271 E272 Q277 L278 G279L271-E275 PolarHBondContact O-N 3.45Å; E272-E275 PolarHBondContact O-N 3.23Å; E275-Q277 VanDerWaalsContact C-N 3.26Å; E275-Q277 PolarHBondContact O-N 2.82Å; E275-L278 PolarHBondContact O-N 3.16Å; E275-L278 VanDerWaalsContact O-N 3.12Å; E275-G279 PolarHBondContact O-N 3.11Å
276A87.3Confident76.7Confident58 Ų5894.9 Ų94.948%0.47953%0.532SS..Hα-helixtrans-59-36.8175.600000112.7E272 R280E272-A276 PolarHBondContact O-N 2.98Å; A276-R280 PolarHBondContact O-N 3.38Å
277Q83.9Confident74.2Confident62 Ų62101.9 Ų101.929%0.2957%0.568SS.*Hα-helixtrans-65.4-42.9175179.8177.2-7.500111.8Q273 S274 E275 G281 K297Q273-Q277 PolarHBondContact O-N 2.64Å; S274-Q277 WeakPolarHBondContact O-CB 3.49Å; S274-Q277 PolarHBondContact O-N 2.8Å; E275-Q277 VanDerWaalsContact C-N 3.26Å; E275-Q277 PolarHBondContact O-N 2.82Å; Q277-G281 WeakPolarHBondContact O-CA 3.46Å; Q277-G281 PolarHBondContact O-N 2.95Å; Q277-K297 VanDerWaalsContact OE1-CB 3.31Å
278L80.8Confident71.6Confident100 Ų100107.5 Ų107.552%0.52460%0.598SS.*Hα-helixtrans-70.3-39.3178.4-68.8169.3000112.1S274 E275 R280 G281 L298S274-L278 WeakPolarHBondContact O-CG 3.48Å; S274-L278 PolarHBondContact O-N 2.91Å; S274-L278 VanDerWaalsContact O-N 3.1Å; E275-L278 PolarHBondContact O-N 3.16Å; E275-L278 VanDerWaalsContact O-N 3.12Å; L278-R280 VanDerWaalsContact C-N 3.34Å; L278-R280 PolarHBondContact O-N 3.04Å; L278-G281 PolarHBondContact O-N 3.28Å; L278-L298 HydrophobicContact CD1-CD2 4.25Å
279G74.6Confident69.2Low71 Ų71109 Ų10973%0.73261%0.605SS**Hα-helixtrans-65.9-31.4179.800000114E275E275-G279 PolarHBondContact O-N 3.11Å
280R67.1Low66.7Low230 Ų230111.9 Ų111.987%0.86862%0.618SS**Hα-helixtrans-94.2-19.9175.3-65.2-168.9-179-153.32.1114.1A276 L278A276-R280 PolarHBondContact O-N 3.38Å; L278-R280 VanDerWaalsContact C-N 3.34Å; L278-R280 PolarHBondContact O-N 3.04Å
281G56.9Low64.3Low66 Ų66118.1 Ų118.168%0.6865%0.652SS**Hα-helixtrans-88.6-8.6-168.800000116.7Q277 L278Q277-G281 WeakPolarHBondContact O-CA 3.46Å; Q277-G281 PolarHBondContact O-N 2.95Å; L278-G281 PolarHBondContact O-N 3.28Å
282S51.5Low62Low96 Ų96124.5 Ų124.567%0.67167%0.671SS**SBendtrans-107.3-1.6-165.9-135.50000116.5
283F46.8Very low59.8Low191 Ų191127.6 Ų127.684%0.83868%0.682SS**  trans-142.119.6-170.9-98.3-81.1000118.1
284M49.7Very low58.1Low186 Ų186127.3 Ų127.392%0.91669%0.689SS**  trans-94.6101.2168.9-133.7176.9155.200110.2G286M284-G286 PolarHBondContact O-N 3.45Å
285L46.3Very low56.7Low173 Ų173133 Ų13391%0.90672%0.715SS**THydrogen-bonded Turntrans-50.4120.1173-102.391.3000110.8
286G49Very low56.3Low83 Ų83130.5 Ų130.586%0.85671%0.706SS**THydrogen-bonded Turntrans98.922.714700000119.2M284M284-G286 PolarHBondContact O-N 3.45Å
287L40.2Very low56.2Low166 Ų166131.7 Ų131.787%0.86970%0.701SS**  trans-119.8132.1169.6-153.874.8000111.8
288D39.4Very low56.4Low138 Ų138132 Ų13274%0.73870%0.704SS**  trans-43.2140.5-171.5-77.1-54000115.6H290D288-H290 HydrophobicContact CB-CB 4.47Å; D288-H290 PolarHBondContact O-N 3.15Å
289T44.9Very low56.8Low106 Ų106128.9 Ų128.965%0.6569%0.693SS**THydrogen-bonded Turntrans-68.428.8175.248.80000114.2
290H39.7Very low57.4Low166 Ų166128.2 Ų128.277%0.76967%0.67SS**THydrogen-bonded Turntrans-93.4-8.2-171.9-122.9-67.1000114.8D288D288-H290 HydrophobicContact CB-CB 4.47Å; D288-H290 PolarHBondContact O-N 3.15Å
291D40.9Very low58.5Low151 Ų151117.4 Ų117.481%0.80763%0.629SS**  trans-102.419.2177.9-88.9-26.2000114.7K293D291-K293 PolarHBondContact O-N 3.4Å
292R45.1Very low60.2Low208 Ų208117.5 Ų117.579%0.78562%0.617SS**THydrogen-bonded Turntrans-7542.4173.5-74-174.7173.2-179.3-1113.6
293K45.6Very low62Low201 Ų201119.6 Ų119.687%0.87461%0.61SS**THydrogen-bonded Turntrans-98.90.4169.7-72.3-172-178.9-1800113.3D291 E295D291-K293 PolarHBondContact O-N 3.4Å; K293-E295 PolarHBondContact O-N 3.25Å; K293-E295 VanDerWaalsContact O-N 3.11Å
294S52.4Low64.1Low75 Ų75110.9 Ų110.952%0.52457%0.572SS.*SBendtrans-76.794.216249.20000108.3D296S294-D296 PolarHBondContact O-N 2.69Å
295E59.2Low66.2Low125 Ų125103.8 Ų103.858%0.58454%0.541SS*.  trans-35.3130.3166.9-131.2177.1167.800110.8K293 K297 K300K293-E295 PolarHBondContact O-N 3.25Å; K293-E295 VanDerWaalsContact O-N 3.11Å; E295-K297 PolarHBondContact O-N 3.33Å; E295-K300 WeakPolarHBondContact OE2-CE 3.43Å; E295-K300 IonicContact OE2-NZ 2.68Å; E295-K300 PolarHBondContact OE2-NZ 3.29Å
296D81.1Confident68.4Low88 Ų8898.5 Ų98.547%0.47152%0.518SS..  trans-54.7105.6-172.8178.414.7000111.4S294 L298 A299 K300S294-D296 PolarHBondContact O-N 2.69Å; D296-L298 PolarHBondContact O-N 3.35Å; D296-L298 WeakPolarHBondContact OD1-CB 3.48Å; D296-L298 PolarHBondContact OD1-N 3.09Å; D296-L298 VanDerWaalsContact OD1-N 3.08Å; D296-A299 HydrophobicContact CB-CB 3.85Å; D296-A299 WeakPolarHBondContact O-CB 3.48Å; D296-A299 PolarHBondContact O-N 3.31Å; D296-A299 VanDerWaalsContact O-N 3.13Å; D296-A299 VanDerWaalsContact OD2-CB 3.31Å; D296-A299 WeakPolarHBondContact OD2-CB 3.4Å; D296-A299 PolarHBondContact OD2-N 3.5Å; D296-K300 PolarHBondContact O-N 3.36Å
297K84.6Confident70.4Confident83 Ų8397.4 Ų97.436%0.36149%0.489SS..Hα-helixtrans-60.9-33-178.8-72.4-169.6-174.6-169.30111.2Q277 E295 K300 A301Q277-K297 VanDerWaalsContact OE1-CB 3.31Å; E295-K297 PolarHBondContact O-N 3.33Å; K297-K300 PolarHBondContact O-N 2.83Å; K297-A301 WeakPolarHBondContact O-CB 3.46Å; K297-A301 PolarHBondContact O-N 3.4Å
298L88.9Confident72.7Confident68 Ų6890.2 Ų90.236%0.35645%0.452SS..Hα-helixtrans-68.2-42.5177-176.463.9000110.7L271 L278 D296 K300 A301 T302L271-L298 HydrophobicContact CD2-CD1 4.4Å; L278-L298 HydrophobicContact CD1-CD2 4.25Å; D296-L298 PolarHBondContact O-N 3.35Å; D296-L298 WeakPolarHBondContact OD1-CB 3.48Å; D296-L298 PolarHBondContact OD1-N 3.09Å; D296-L298 VanDerWaalsContact OD1-N 3.08Å; L298-K300 VanDerWaalsContact C-N 3.3Å; L298-K300 PolarHBondContact O-N 3.07Å; L298-A301 PolarHBondContact O-N 3.44Å; L298-T302 WeakPolarHBondContact O-CB 3.39Å; L298-T302 PolarHBondContact O-N 2.92Å; L298-T302 PolarHBondContact O-OG1 2.98Å
299A88.8Confident75.3Confident35 Ų3587.3 Ų87.329%0.28944%0.44SS..Hα-helixtrans-61-38.317400000112.3D296 T302 R303D296-A299 HydrophobicContact CB-CB 3.85Å; D296-A299 WeakPolarHBondContact O-CB 3.48Å; D296-A299 PolarHBondContact O-N 3.31Å; D296-A299 VanDerWaalsContact O-N 3.13Å; D296-A299 VanDerWaalsContact OD2-CB 3.31Å; D296-A299 WeakPolarHBondContact OD2-CB 3.4Å; D296-A299 PolarHBondContact OD2-N 3.5Å; A299-T302 PolarHBondContact O-N 2.73Å; A299-R303 WeakPolarHBondContact O-CG 3.34Å; A299-R303 PolarHBondContact O-N 3.29Å; A299-R303 VanDerWaalsContact O-N 3.1Å
300K87.5Confident77.4Confident58 Ų5886.5 Ų86.525%0.25243%0.43SS..Hα-helixtrans-64.5-50.2173.6-71.1-179.8175.1176.20112E295 D296 K297 L298 T302 R303 D304E295-K300 WeakPolarHBondContact OE2-CE 3.43Å; E295-K300 IonicContact OE2-NZ 2.68Å; E295-K300 PolarHBondContact OE2-NZ 3.29Å; D296-K300 PolarHBondContact O-N 3.36Å; K297-K300 PolarHBondContact O-N 2.83Å; L298-K300 VanDerWaalsContact C-N 3.3Å; L298-K300 PolarHBondContact O-N 3.07Å; K300-T302 PolarHBondContact O-N 2.85Å; K300-R303 PolarHBondContact O-N 3.16Å; K300-R303 VanDerWaalsContact O-N 3.09Å; K300-D304 PolarHBondContact O-N 3.41Å
301A90.6Very high79.7Confident2 Ų279.5 Ų79.52%0.01740%0.398CS..Hα-helixtrans-59-36.617700000111.7L267 K270 L271 K297 L298 D304 S305L267-A301 HydrophobicContact CD1-CB 4.29Å; L267-A301 WeakPolarHBondContact CD1-O 3.44Å; K270-A301 HydrophobicContact CB-CB 4.41Å; L271-A301 HydrophobicContact CD2-CB 3.86Å; L271-A301 HydrophobicContact CG-CB 4.34Å; K297-A301 WeakPolarHBondContact O-CB 3.46Å; K297-A301 PolarHBondContact O-N 3.4Å; L298-A301 PolarHBondContact O-N 3.44Å; A301-D304 PolarHBondContact O-N 3.4Å; A301-S305 WeakPolarHBondContact O-CB 3.5Å; A301-S305 PolarHBondContact O-N 3.42Å
302T92.1Very high82Confident69 Ų6974 Ų7442%0.42337%0.374SS..Hα-helixtrans-61.6-47.7174.3-56.70000111L298 A299 K300 D304 S305 C306L298-T302 WeakPolarHBondContact O-CB 3.39Å; L298-T302 PolarHBondContact O-N 2.92Å; L298-T302 PolarHBondContact O-OG1 2.98Å; A299-T302 PolarHBondContact O-N 2.73Å; K300-T302 PolarHBondContact O-N 2.85Å; T302-D304 VanDerWaalsContact C-N 3.34Å; T302-D304 PolarHBondContact O-N 2.77Å; T302-S305 PolarHBondContact O-N 3.46Å; T302-S305 PolarHBondContact O-OG 3.35Å; T302-C306 PolarHBondContact O-N 2.88Å; T302-C306 PolarHBondContact O-SG 2.52Å; T302-C306 VanDerWaalsContact O-SG 3.33Å
303R90.1Very high84.2Confident139 Ų13968.3 Ų68.353%0.52536%0.358SS..Hα-helixtrans-61-42.8176.6-68.2-178.3-157.9-171.16.6112Y201 A299 K300 C306 K307Y201-R303 HydrophobicContact CE1-CB 4.05Å; A299-R303 WeakPolarHBondContact O-CG 3.34Å; A299-R303 PolarHBondContact O-N 3.29Å; A299-R303 VanDerWaalsContact O-N 3.1Å; K300-R303 PolarHBondContact O-N 3.16Å; K300-R303 VanDerWaalsContact O-N 3.09Å; R303-C306 PolarHBondContact O-N 3.12Å; R303-K307 WeakPolarHBondContact O-CB 3.43Å; R303-K307 PolarHBondContact O-N 3.31Å
304D90.3Very high86.2Confident9 Ų963.7 Ų63.75%0.04834%0.34CS..Hα-helixtrans-61.2-45.3176.8-71.6-12.9000111.1Y201 T203 L267 K270 K300 A301 T302 C306 K307 T308Y201-D304 PolarHBondContact OH-OD1 3.48Å; Y201-D304 VanDerWaalsContact OH-OD1 3.12Å; T203-D304 VanDerWaalsContact CB-OD1 3.25Å; T203-D304 WeakPolarHBondContact CB-OD1 3.39Å; T203-D304 HydrophobicContact CG2-CB 4.2Å; T203-D304 VanDerWaalsContact CG2-CG 3.44Å; T203-D304 WeakPolarHBondContact CG2-OD1 3.26Å; T203-D304 PolarHBondContact OG1-OD1 3.11Å; L267-D304 HydrophobicContact CD1-CB 4.09Å; K270-D304 WeakPolarHBondContact CD-OD2 3.17Å; K270-D304 IonicContact NZ-OD2 3.34Å; K270-D304 PolarHBondContact NZ-OD2 3.12Å; K300-D304 PolarHBondContact O-N 3.41Å; A301-D304 PolarHBondContact O-N 3.4Å; T302-D304 VanDerWaalsContact C-N 3.34Å; T302-D304 PolarHBondContact O-N 2.77Å; D304-C306 PolarHBondContact O-N 3.05Å; D304-K307 PolarHBondContact O-N 2.94Å; D304-T308 PolarHBondContact O-N 2.93Å; D304-T308 PolarHBondContact O-OG1 3.01Å; D304-T308 VanDerWaalsContact O-OG1 3.13Å
305S93.3Very high87.8Confident36 Ų3660.1 Ų60.125%0.25232%0.315SS..Hα-helixtrans-61.9-42.5175.976.80000113A301 T302 K307 T309A301-S305 WeakPolarHBondContact O-CB 3.5Å; A301-S305 PolarHBondContact O-N 3.42Å; T302-S305 PolarHBondContact O-N 3.46Å; T302-S305 PolarHBondContact O-OG 3.35Å; S305-K307 VanDerWaalsContact C-N 3.34Å; S305-K307 PolarHBondContact O-N 2.74Å; S305-T309 WeakPolarHBondContact O-CB 3.22Å; S305-T309 PolarHBondContact O-N 3Å; S305-T309 PolarHBondContact O-OG1 3.22Å
306C93.3Very high89.3Confident62 Ų6258.9 Ų58.942%0.41931%0.311SS..Hα-helixtrans-63.3-43.9178.2-73.30000110.3T302 R303 D304 T309 I310T302-C306 PolarHBondContact O-N 2.88Å; T302-C306 PolarHBondContact O-SG 2.52Å; T302-C306 VanDerWaalsContact O-SG 3.33Å; R303-C306 PolarHBondContact O-N 3.12Å; D304-C306 PolarHBondContact O-N 3.05Å; C306-T309 PolarHBondContact O-N 3.29Å; C306-I310 WeakPolarHBondContact O-CB 3.04Å; C306-I310 WeakPolarHBondContact O-CD1 3.2Å; C306-I310 WeakPolarHBondContact O-CG1 3.47Å; C306-I310 PolarHBondContact O-N 2.95Å
307K89.9Confident89.7Confident60 Ų6059.5 Ų59.526%0.26131%0.312SS..Hα-helixtrans-60.8-53179.4-172.5-179.7179.7-177.80111.6R303 D304 S305 T309 I310 E311R303-K307 WeakPolarHBondContact O-CB 3.43Å; R303-K307 PolarHBondContact O-N 3.31Å; D304-K307 PolarHBondContact O-N 2.94Å; S305-K307 VanDerWaalsContact C-N 3.34Å; S305-K307 PolarHBondContact O-N 2.74Å; K307-T309 VanDerWaalsContact C-N 3.26Å; K307-T309 PolarHBondContact O-N 3.15Å; K307-I310 PolarHBondContact O-N 2.95Å; K307-E311 VanDerWaalsContact CE-OE1 3.23Å; K307-E311 WeakPolarHBondContact CE-OE1 3.39Å; K307-E311 WeakPolarHBondContact O-CG 3.36Å; K307-E311 PolarHBondContact O-N 3.22Å
308T89.7Confident89.9Confident15 Ų1557.3 Ų57.39%0.09231%0.308CS..Hα-helixtrans-58.4-40.6178.7-54.60000111.5T260 Q263 V264 D304 A312T260-T308 HydrophobicContact CG2-CG2 4.49Å; Q263-T308 HydrophobicContact CB-CG2 4.18Å; V264-T308 HydrophobicContact CG2-CG2 4.32Å; D304-T308 PolarHBondContact O-N 2.93Å; D304-T308 PolarHBondContact O-OG1 3.01Å; D304-T308 VanDerWaalsContact O-OG1 3.13Å; T308-A312 PolarHBondContact O-N 3.13Å; T308-A312 VanDerWaalsContact O-N 3.14Å
309T92.6Very high90Very high78 Ų7856.8 Ų56.848%0.47930%0.304SS..Hα-helixtrans-66.1-45178.2-56.80000112.2S305 C306 K307 E311 A312 I313S305-T309 WeakPolarHBondContact O-CB 3.22Å; S305-T309 PolarHBondContact O-N 3Å; S305-T309 PolarHBondContact O-OG1 3.22Å; C306-T309 PolarHBondContact O-N 3.29Å; K307-T309 VanDerWaalsContact C-N 3.26Å; K307-T309 PolarHBondContact O-N 3.15Å; T309-E311 VanDerWaalsContact C-N 3.35Å; T309-E311 PolarHBondContact O-N 3.38Å; T309-A312 PolarHBondContact O-N 3.01Å; T309-I313 HydrophobicContact CG2-CD1 3.76Å; T309-I313 HydrophobicContact CG2-CG1 4.4Å; T309-I313 VanDerWaalsContact O-CG1 3.29Å; T309-I313 WeakPolarHBondContact O-CG1 3.43Å; T309-I313 PolarHBondContact O-N 3.14Å
310I90.7Very high90.2Very high88 Ų8858.7 Ų58.745%0.45131%0.311SS..Hα-helixtrans-61.6-43.9179.2-72163.9000110.6C306 K307 A312 I313 H314C306-I310 WeakPolarHBondContact O-CB 3.04Å; C306-I310 WeakPolarHBondContact O-CD1 3.2Å; C306-I310 WeakPolarHBondContact O-CG1 3.47Å; C306-I310 PolarHBondContact O-N 2.95Å; K307-I310 PolarHBondContact O-N 2.95Å; I310-A312 PolarHBondContact O-N 2.91Å; I310-I313 PolarHBondContact O-N 3.37Å; I310-H314 VanDerWaalsContact CG2-CE1 3.42Å; I310-H314 WeakPolarHBondContact CG2-CE1 3.31Å; I310-H314 PolarHBondContact O-N 3.28Å
311E87.2Confident90.3Very high19 Ų1960.2 Ų60.29%0.08932%0.321CS..Hα-helixtrans-61.8-42.7177.9-70179.6-169.100111.8S175 K307 T309 H314 G315S175-E311 WeakPolarHBondContact CB-OE2 3.45Å; S175-E311 VanDerWaalsContact OG-CD 3.3Å; S175-E311 PolarHBondContact OG-OE2 3.18Å; K307-E311 VanDerWaalsContact CE-OE1 3.23Å; K307-E311 WeakPolarHBondContact CE-OE1 3.39Å; K307-E311 WeakPolarHBondContact O-CG 3.36Å; K307-E311 PolarHBondContact O-N 3.22Å; T309-E311 VanDerWaalsContact C-N 3.35Å; T309-E311 PolarHBondContact O-N 3.38Å; E311-H314 PolarHBondContact O-N 3.37Å; E311-G315 PolarHBondContact O-N 3.43Å; E311-G315 VanDerWaalsContact O-N 3.11Å
312A89.1Confident90.4Very high37 Ų3761.6 Ų61.631%0.30633%0.327SS..Hα-helixtrans-63.7-43174.900000112.3L253 T308 T309 I310 G315 L316L253-A312 WeakPolarHBondContact CD2-O 3.37Å; T308-A312 PolarHBondContact O-N 3.13Å; T308-A312 VanDerWaalsContact O-N 3.14Å; T309-A312 PolarHBondContact O-N 3.01Å; I310-A312 PolarHBondContact O-N 2.91Å; A312-G315 PolarHBondContact O-N 3.15Å; A312-L316 PolarHBondContact O-N 3.43Å
313I90.9Very high90.4Very high87 Ų8761 Ų6145%0.44632%0.321SS..Hα-helixtrans-63.7-43.8177.9-68.9168.4000110.9T309 I310 G315 L316 M317T309-I313 HydrophobicContact CG2-CD1 3.76Å; T309-I313 HydrophobicContact CG2-CG1 4.4Å; T309-I313 VanDerWaalsContact O-CG1 3.29Å; T309-I313 WeakPolarHBondContact O-CG1 3.43Å; T309-I313 PolarHBondContact O-N 3.14Å; I310-I313 PolarHBondContact O-N 3.37Å; I313-G315 VanDerWaalsContact C-N 3.27Å; I313-G315 PolarHBondContact O-N 3.45Å; I313-L316 PolarHBondContact O-N 3.24Å; I313-M317 HydrophobicContact CG2-CG 4.14Å; I313-M317 HydrophobicContact CG2-SD 3.98Å; I313-M317 VanDerWaalsContact O-CG 3.3Å; I313-M317 WeakPolarHBondContact O-CG 3.12Å; I313-M317 PolarHBondContact O-N 3.4Å
314H87.1Confident90.5Very high105 Ų10560.1 Ų60.149%0.48632%0.321SS..Hα-helixtrans-57.9-41.9175.3-72.8159.2000112I310 E311 L316 M317 S318I310-H314 VanDerWaalsContact CG2-CE1 3.42Å; I310-H314 WeakPolarHBondContact CG2-CE1 3.31Å; I310-H314 PolarHBondContact O-N 3.28Å; E311-H314 PolarHBondContact O-N 3.37Å; H314-L316 VanDerWaalsContact C-N 3.34Å; H314-L316 PolarHBondContact O-N 2.97Å; H314-M317 PolarHBondContact O-N 3.02Å; H314-S318 PolarHBondContact O-N 3.12Å; H314-S318 VanDerWaalsContact O-N 3.13Å
315G86.7Confident90.5Very high0 Ų064 Ų640%034%0.342CS..Hα-helixtrans-57.8-45.4172.700000112.3S252 E311 A312 I313 S318 Q319S252-G315 WeakPolarHBondContact OG-CA 3.27Å; E311-G315 PolarHBondContact O-N 3.43Å; E311-G315 VanDerWaalsContact O-N 3.11Å; A312-G315 PolarHBondContact O-N 3.15Å; I313-G315 VanDerWaalsContact C-N 3.27Å; I313-G315 PolarHBondContact O-N 3.45Å; G315-S318 PolarHBondContact O-N 3.1Å; G315-S318 PolarHBondContact O-OG 3.25Å; G315-Q319 PolarHBondContact O-N 2.83Å
316L90.9Very high90.4Very high98 Ų9867.8 Ų67.851%0.51335%0.354SS..Hα-helixtrans-67.6-41.8178.2-175.462.5000112.6L253 A312 I313 H314 S318 Q319 V320L253-L316 HydrophobicContact CD1-CB 4.27Å; A312-L316 PolarHBondContact O-N 3.43Å; I313-L316 PolarHBondContact O-N 3.24Å; H314-L316 VanDerWaalsContact C-N 3.34Å; H314-L316 PolarHBondContact O-N 2.97Å; L316-S318 PolarHBondContact O-N 3.3Å; L316-Q319 WeakPolarHBondContact O-CA 3.26Å; L316-Q319 WeakPolarHBondContact O-CB 3.19Å; L316-Q319 PolarHBondContact O-N 3.18Å; L316-V320 HydrophobicContact CG-CG2 4.49Å; L316-V320 PolarHBondContact O-N 2.9Å
317M90.1Very high90.3Very high101 Ų10170.2 Ų70.250%0.49836%0.363SS..Hα-helixtrans-55.5-41.2175.7-72.3174.773.300111.1I313 H314 Q319 V320 I321I313-M317 HydrophobicContact CG2-CG 4.14Å; I313-M317 HydrophobicContact CG2-SD 3.98Å; I313-M317 VanDerWaalsContact O-CG 3.3Å; I313-M317 WeakPolarHBondContact O-CG 3.12Å; I313-M317 PolarHBondContact O-N 3.4Å; H314-M317 PolarHBondContact O-N 3.02Å; M317-Q319 VanDerWaalsContact C-N 3.29Å; M317-Q319 PolarHBondContact O-N 2.99Å; M317-V320 PolarHBondContact O-N 3.4Å; M317-I321 VanDerWaalsContact O-CG1 3.28Å; M317-I321 WeakPolarHBondContact O-CG1 3.37Å; M317-I321 PolarHBondContact O-N 3.34Å
318S88.8Confident90.3Very high37 Ų3772 Ų7226%0.25937%0.372SS..Hα-helixtrans-60.4-37.2175.480.10000112.6H314 G315 L316 K322H314-S318 PolarHBondContact O-N 3.12Å; H314-S318 VanDerWaalsContact O-N 3.13Å; G315-S318 PolarHBondContact O-N 3.1Å; G315-S318 PolarHBondContact O-OG 3.25Å; L316-S318 PolarHBondContact O-N 3.3Å; S318-K322 VanDerWaalsContact O-CE 3.28Å; S318-K322 WeakPolarHBondContact O-CE 3.39Å; S318-K322 VanDerWaalsContact O-CG 3.28Å; S318-K322 WeakPolarHBondContact O-CG 3.45Å; S318-K322 PolarHBondContact O-N 3.31Å; S318-K322 VanDerWaalsContact O-N 3.16Å
319Q90.6Very high90.2Very high58 Ų5877.3 Ų77.327%0.27140%0.398SS..Hα-helixtrans-70.7-43.7177.5-54-54.3-49.600111.6S251 L253 G315 L316 M317 I321 K322 D323S251-Q319 PolarHBondContact OG-NE2 3.32Å; L253-Q319 HydrophobicContact CD1-CG 4.14Å; G315-Q319 PolarHBondContact O-N 2.83Å; L316-Q319 WeakPolarHBondContact O-CA 3.26Å; L316-Q319 WeakPolarHBondContact O-CB 3.19Å; L316-Q319 PolarHBondContact O-N 3.18Å; M317-Q319 VanDerWaalsContact C-N 3.29Å; M317-Q319 PolarHBondContact O-N 2.99Å; Q319-I321 VanDerWaalsContact C-N 3.31Å; Q319-I321 PolarHBondContact O-N 3.41Å; Q319-K322 PolarHBondContact O-N 3.3Å; Q319-D323 PolarHBondContact O-N 3.46Å
320V92.5Very high89.7Confident75 Ų7580.5 Ų80.546%0.45541%0.412SS..Hα-helixtrans-61.5-41.8177.5175.60000110.8L316 M317 K322 D323 K324L316-V320 HydrophobicContact CG-CG2 4.49Å; L316-V320 PolarHBondContact O-N 2.9Å; M317-V320 PolarHBondContact O-N 3.4Å; V320-K322 VanDerWaalsContact C-N 3.34Å; V320-K322 PolarHBondContact O-N 3.06Å; V320-D323 PolarHBondContact O-N 3.01Å; V320-K324 HydrophobicContact CG1-CG 4.45Å; V320-K324 VanDerWaalsContact O-CG 3.31Å; V320-K324 WeakPolarHBondContact O-CG 3.18Å; V320-K324 PolarHBondContact O-N 3.06Å
321I90.8Very high88.8Confident90 Ų9082.2 Ų82.246%0.46243%0.427SS..Hα-helixtrans-59.7-45.8175.1-70.9165.5000110.6M317 Q319 K324 L325M317-I321 VanDerWaalsContact O-CG1 3.28Å; M317-I321 WeakPolarHBondContact O-CG1 3.37Å; M317-I321 PolarHBondContact O-N 3.34Å; Q319-I321 VanDerWaalsContact C-N 3.31Å; Q319-I321 PolarHBondContact O-N 3.41Å; I321-K324 PolarHBondContact O-N 3.49Å; I321-L325 HydrophobicContact CG2-CD1 3.65Å; I321-L325 HydrophobicContact CG2-CG 4.28Å; I321-L325 WeakPolarHBondContact O-CB 2.81Å; I321-L325 VanDerWaalsContact O-CG 3.27Å; I321-L325 WeakPolarHBondContact O-CG 3.4Å; I321-L325 PolarHBondContact O-N 3.38Å
322K91.3Very high87.6Confident30 Ų3086.6 Ų86.613%0.1346%0.46CS..Hα-helixtrans-62.8-43.9178-70176.8-59.5175.90112L248 S250 S318 Q319 V320 K324 L325 F326L248-K322 WeakPolarHBondContact O-CD 3.48Å; L248-K322 WeakPolarHBondContact O-CG 3.49Å; S250-K322 PolarHBondContact O-NZ 2.85Å; S318-K322 VanDerWaalsContact O-CE 3.28Å; S318-K322 WeakPolarHBondContact O-CE 3.39Å; S318-K322 VanDerWaalsContact O-CG 3.28Å; S318-K322 WeakPolarHBondContact O-CG 3.45Å; S318-K322 PolarHBondContact O-N 3.31Å; S318-K322 VanDerWaalsContact O-N 3.16Å; Q319-K322 PolarHBondContact O-N 3.3Å; V320-K322 VanDerWaalsContact C-N 3.34Å; V320-K322 PolarHBondContact O-N 3.06Å; K322-K324 VanDerWaalsContact C-N 3.34Å; K322-K324 PolarHBondContact O-N 3.01Å; K322-L325 PolarHBondContact O-N 3.23Å; K322-F326 HydrophobicContact CB-CD2 4.18Å; K322-F326 HydrophobicContact CB-CE2 4.44Å; K322-F326 HydrophobicContact CG-CE2 4.35Å; K322-F326 WeakPolarHBondContact O-CB 3.47Å; K322-F326 WeakPolarHBondContact O-CD2 3.43Å; K322-F326 PolarHBondContact O-N 2.93Å
323D92.2Very high86Confident58 Ų5890.5 Ų90.531%0.3149%0.485SS..Iπ-helixtrans-58.6-47176.1-176.474000111.5Q319 V320 L325 N327 Q328Q319-D323 PolarHBondContact O-N 3.46Å; V320-D323 PolarHBondContact O-N 3.01Å; D323-L325 PolarHBondContact O-N 3.47Å; D323-N327 WeakPolarHBondContact O-CA 3.44Å; D323-N327 WeakPolarHBondContact O-CB 3.45Å; D323-N327 PolarHBondContact O-N 3.44Å; D323-N327 WeakPolarHBondContact OD1-CB 3.32Å; D323-N327 PolarHBondContact OD1-ND2 3.08Å; D323-Q328 PolarHBondContact O-N 3.03Å; D323-Q328 PolarHBondContact OD2-NE2 3.15Å
324K92.2Very high84Confident120 Ų12097.2 Ų97.252%0.52252%0.522SS..Iπ-helixtrans-63.4-38.5177.2-69.9-65.1178.8-177.20113.3V320 I321 K322 Q328V320-K324 HydrophobicContact CG1-CG 4.45Å; V320-K324 VanDerWaalsContact O-CG 3.31Å; V320-K324 WeakPolarHBondContact O-CG 3.18Å; V320-K324 PolarHBondContact O-N 3.06Å; I321-K324 PolarHBondContact O-N 3.49Å; K322-K324 VanDerWaalsContact C-N 3.34Å; K322-K324 PolarHBondContact O-N 3.01Å; K324-Q328 HydrophobicContact CD-CG 4.43Å
325L90.4Very high83.9Confident91 Ų9196.9 Ų96.948%0.47652%0.524SS..Iπ-helixtrans-76.1-36.3-178-74.4173000113.2I321 K322 D323 I329I321-L325 HydrophobicContact CG2-CD1 3.65Å; I321-L325 HydrophobicContact CG2-CG 4.28Å; I321-L325 WeakPolarHBondContact O-CB 2.81Å; I321-L325 VanDerWaalsContact O-CG 3.27Å; I321-L325 WeakPolarHBondContact O-CG 3.4Å; I321-L325 PolarHBondContact O-N 3.38Å; K322-L325 PolarHBondContact O-N 3.23Å; D323-L325 PolarHBondContact O-N 3.47Å; L325-I329 WeakPolarHBondContact O-CD1 3.35Å
326F91.6Very high83.7Confident114 Ų114101.9 Ų101.950%0.555%0.551SS.*Iπ-helixtrans-116.8-30.9-167-56.4-61.9000114.4L248 K322L248-F326 HydrophobicContact CB-CE2 4.45Å; L248-F326 HydrophobicContact CB-CZ 4.42Å; L248-F326 HydrophobicContact CD1-CZ 4.11Å; K322-F326 HydrophobicContact CB-CD2 4.18Å; K322-F326 HydrophobicContact CB-CE2 4.44Å; K322-F326 HydrophobicContact CG-CE2 4.35Å; K322-F326 WeakPolarHBondContact O-CB 3.47Å; K322-F326 WeakPolarHBondContact O-CD2 3.43Å; K322-F326 PolarHBondContact O-N 2.93Å
327N91.2Very high83.3Confident114 Ų114102.2 Ų102.261%0.6155%0.553SS**Iπ-helixtrans-98.3-29.7-173.4-59-16.6000112.4D323 I329D323-N327 WeakPolarHBondContact O-CA 3.44Å; D323-N327 WeakPolarHBondContact O-CB 3.45Å; D323-N327 PolarHBondContact O-N 3.44Å; D323-N327 WeakPolarHBondContact OD1-CB 3.32Å; D323-N327 PolarHBondContact OD1-ND2 3.08Å; N327-I329 PolarHBondContact O-N 2.96Å
328Q89.6Confident82.9Confident96 Ų96102.2 Ų102.245%0.44956%0.557SS.*  trans-88.832.7-179.1-55.5-162.48.900113.2D323 K324D323-Q328 PolarHBondContact O-N 3.03Å; D323-Q328 PolarHBondContact OD2-NE2 3.15Å; K324-Q328 HydrophobicContact CD-CG 4.43Å
329I87.1Confident82.5Confident128 Ų128106.3 Ų106.366%0.65658%0.575SS**  trans-99.588.1169.5-54-168.6000106.8L325 N327 T331L325-I329 WeakPolarHBondContact O-CD1 3.35Å; N327-I329 PolarHBondContact O-N 2.96Å; I329-T331 PolarHBondContact O-N 2.58Å
330N82.5Confident82Confident144 Ų144109.5 Ų109.577%0.7760%0.595SS**  trans-61.9129.5172.8-65.8-31.8000108.6S332N330-S332 PolarHBondContact O-N 2.61Å
331T71.7Confident81.3Confident125 Ų125112 Ų11277%0.76761%0.606SS**  trans-64.1120.7161.8470000107.3I329 S333I329-T331 PolarHBondContact O-N 2.58Å; T331-S333 PolarHBondContact O-N 3.23Å
332S61.6Low80.5Confident111 Ų111113.7 Ų113.778%0.77662%0.617SS**  trans-56.1106.3165.4-52.80000107.5N330 N334N330-S332 PolarHBondContact O-N 2.61Å; S332-N334 PolarHBondContact O-N 3.04Å
333S57Low79.6Confident118 Ų118120.7 Ų120.783%0.82566%0.657SS**  trans-62.3104.4168.7-40.70000106.8T331T331-S333 PolarHBondContact O-N 3.23Å
334N48.4Very low78.5Confident229 Ų229126.4 Ų126.4100%1.22569%0.689SS**  trans-76.90163.6-88.8-9.9000109.8S332S332-N334 PolarHBondContact O-N 3.04Å

Retrieved 334 of 334 residues in 280.4 ms (Link to these results)

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