G4LXZ4_SCHMA Loading...

ADP-ribosylation factor-like protein 5B

AlphaFold DB , UniProt , Accession G4LXZ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 178 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M47.4Very low50Low219 Ų219148.3 Ų148.3100%1.07971%0.714SS**  090-66.3-61.6-94.900114.5
2G51.7Low50.3Low54 Ų54147.6 Ų147.656%0.55771%0.705SS**Hα-helixtrans-86.4-23.7-170.700000117.2
3L52.2Low50.6Low152 Ų152146.5 Ų146.580%0.79671%0.706SS**Hα-helixtrans-84.9-24.5-176.4-85.3119.2000114.4T6L3-T6 PolarHBondContact O-OG1 3.42Å
4L51.2Low51.6Low145 Ų145141.9 Ų141.976%0.75970%0.696SS**Hα-helixtrans-75.5-32.4175.6-139.595000111.1F8L4-F8 PolarHBondContact O-N 3Å
5F50.6Low53.8Low144 Ų144141.9 Ų141.963%0.63269%0.686SS**Hα-helixtrans-69.5-38.7-176.5-126.4-90.7000112.7F8 W9F5-F8 PolarHBondContact O-N 3.27Å; F5-W9 PolarHBondContact O-N 3.28Å
6T49.8Very low56.2Low90 Ų90138.4 Ų138.455%0.55267%0.671SS**Hα-helixtrans-70.4-32.9179.347.70000112.9L3 F8 W9 R10L3-T6 PolarHBondContact O-OG1 3.42Å; T6-F8 VanDerWaalsContact C-N 3.32Å; T6-F8 PolarHBondContact O-N 3.11Å; T6-W9 PolarHBondContact O-N 3.43Å; T6-R10 PolarHBondContact O-N 3.47Å
7K48.2Very low58.6Low163 Ų163132.4 Ų132.471%0.70964%0.64SS**Hα-helixtrans-61.7-41.3170.8-91.1-173.7174.9-177.90111.8R10 L11K7-R10 PolarHBondContact O-N 2.98Å; K7-L11 PolarHBondContact O-N 3.33Å; K7-L11 VanDerWaalsContact O-N 3.16Å
8F49.8Very low60.7Low136 Ų136127.7 Ų127.760%0.59662%0.616SS**Hα-helixtrans-70.4-33.9177.6-127.4-84.8000112.1L4 F5 T6 L11 F12L4-F8 PolarHBondContact O-N 3Å; F5-F8 PolarHBondContact O-N 3.27Å; T6-F8 VanDerWaalsContact C-N 3.32Å; T6-F8 PolarHBondContact O-N 3.11Å; F8-L11 CarbonylContact O-C 3.35Å; F8-L11 WeakPolarHBondContact O-CA 3.35Å; F8-L11 VanDerWaalsContact O-CB 3.24Å; F8-L11 WeakPolarHBondContact O-CB 3.24Å; F8-L11 PolarHBondContact O-N 3.04Å; F8-L11 VanDerWaalsContact O-N 3.11Å; F8-F12 HydrophobicContact CD1-CE2 4.1Å; F8-F12 VanDerWaalsContact O-CD2 3.23Å; F8-F12 WeakPolarHBondContact O-CD2 3.35Å; F8-F12 PolarHBondContact O-N 3.16Å
9W47.7Very low62.7Low177 Ų177121 Ų12167%0.6758%0.584SS**Hα-helixtrans-70.3-32.9174-97.176.3000114.1F5 T6 L11 F12F5-W9 PolarHBondContact O-N 3.28Å; T6-W9 PolarHBondContact O-N 3.43Å; W9-L11 PolarHBondContact O-N 3.49Å; W9-F12 CarbonylContact O-C 3.55Å; W9-F12 WeakPolarHBondContact O-CA 3.33Å; W9-F12 WeakPolarHBondContact O-CB 3.37Å; W9-F12 PolarHBondContact O-N 3.22Å
10R48.8Very low64.6Low230 Ų230115 Ų11587%0.86856%0.555SS**Hα-helixtrans-68.3-25.4167.5-117.3-178.666177.81.9112.6T6 K7 F12 N13T6-R10 PolarHBondContact O-N 3.47Å; K7-R10 PolarHBondContact O-N 2.98Å; R10-F12 VanDerWaalsContact C-N 3.26Å; R10-N13 PolarHBondContact O-N 2.84Å
11L52.2Low66.2Low121 Ų121109.5 Ų109.563%0.63453%0.528SS*.THydrogen-bonded Turntrans-76.6-8.5166.9-80.8159.7000113.3K7 F8 W9 N13K7-L11 PolarHBondContact O-N 3.33Å; K7-L11 VanDerWaalsContact O-N 3.16Å; F8-L11 CarbonylContact O-C 3.35Å; F8-L11 WeakPolarHBondContact O-CA 3.35Å; F8-L11 VanDerWaalsContact O-CB 3.24Å; F8-L11 WeakPolarHBondContact O-CB 3.24Å; F8-L11 PolarHBondContact O-N 3.04Å; F8-L11 VanDerWaalsContact O-N 3.11Å; W9-L11 PolarHBondContact O-N 3.49Å; L11-N13 WeakPolarHBondContact O-CB 3.23Å; L11-N13 PolarHBondContact O-N 2.96Å
12F53.9Low68.6Low140 Ų14099 Ų9961%0.61448%0.477SS*.SBendtrans-8437.2157.7-74.8-84.4000110.8F8 W9 R10 S14F8-F12 HydrophobicContact CD1-CE2 4.1Å; F8-F12 VanDerWaalsContact O-CD2 3.23Å; F8-F12 WeakPolarHBondContact O-CD2 3.35Å; F8-F12 PolarHBondContact O-N 3.16Å; W9-F12 CarbonylContact O-C 3.55Å; W9-F12 WeakPolarHBondContact O-CA 3.33Å; W9-F12 WeakPolarHBondContact O-CB 3.37Å; W9-F12 PolarHBondContact O-N 3.22Å; R10-F12 VanDerWaalsContact C-N 3.26Å; F12-S14 VanDerWaalsContact C-N 3.32Å; F12-S14 PolarHBondContact O-N 3.29Å
13N54Low70.9Confident134 Ų13496.5 Ų96.572%0.71745%0.451SS*.  4627.7122.2-135.325.3000120.7R10 L11 R15R10-N13 PolarHBondContact O-N 2.84Å; L11-N13 WeakPolarHBondContact O-CB 3.23Å; L11-N13 PolarHBondContact O-N 2.96Å; N13-R15 PolarHBondContact O-N 2.75Å
14S65.2Low73.1Confident81 Ų8189.7 Ų89.757%0.56642%0.415SS*.  trans-74.381.1157.663.50000107.1F12 D16F12-S14 VanDerWaalsContact C-N 3.32Å; F12-S14 PolarHBondContact O-N 3.29Å; S14-D16 PolarHBondContact O-N 3.42Å
15R83.8Confident75.3Confident143 Ų14384.8 Ų84.854%0.5439%0.39SS..PPolyproline II helixtrans-57.8127166.1168.9-179.8171177.2-2.9107.1N13 Y17 D85N13-R15 PolarHBondContact O-N 2.75Å; R15-Y17 HydrophobicContact CG-CE1 4.46Å; R15-Y17 WeakPolarHBondContact O-CD2 3.38Å; R15-Y17 VanDerWaalsContact O-CE2 3.26Å; R15-Y17 WeakPolarHBondContact O-CE2 3.26Å; R15-D85 IonicContact CZ-OD1 2.83Å; R15-D85 IonicContact NH2-OD1 2.69Å; R15-D85 PolarHBondContact NH2-OD1 3.06Å
16D92.3Very high77.5Confident85 Ų8583.4 Ų83.446%0.45539%0.389SS..EExtended strand (participates in β ladder)trans-74.9134.5171.7-57.8-10.3000108.8S14 H61 V63S14-D16 PolarHBondContact O-N 3.42Å; D16-H61 VanDerWaalsContact CG-ND1 3.28Å; D16-H61 IonicContact OD1-CE1 3.8Å; D16-H61 IonicContact OD1-CG 3.81Å; D16-H61 IonicContact OD1-ND1 3.12Å; D16-H61 PolarHBondContact OD1-ND1 3.13Å; D16-H61 VanDerWaalsContact OD1-ND1 3.12Å; D16-H61 IonicContact OD2-CE1 3.95Å; D16-H61 IonicContact OD2-ND1 3.86Å; D16-V63 HydrophobicContact CB-CG2 4.13Å
17Y96.6Very high79.8Confident36 Ų3679.2 Ų79.214%0.14136%0.364CS..EExtended strand (participates in β ladder)trans-101.5122.7177-64.3-82.6000109.6R15 L60 H61 F62 V63 D85 F86 I176R15-Y17 HydrophobicContact CG-CE1 4.46Å; R15-Y17 WeakPolarHBondContact O-CD2 3.38Å; R15-Y17 VanDerWaalsContact O-CE2 3.26Å; R15-Y17 WeakPolarHBondContact O-CE2 3.26Å; Y17-L60 HydrophobicContact CD2-CD2 4.48Å; Y17-L60 HydrophobicContact CE2-CD2 3.82Å; Y17-H61 PolarHBondContact N-O 3.22Å; Y17-F62 HydrophobicContact CD2-CE1 4.28Å; Y17-F62 HydrophobicContact CG-CD1 4.43Å; Y17-F62 HydrophobicContact CG-CE1 4.2Å; Y17-F62 VanDerWaalsContact O-CA 3.32Å; Y17-F62 WeakPolarHBondContact O-CA 3.24Å; Y17-V63 PolarHBondContact O-N 3.27Å; Y17-D85 WeakPolarHBondContact CA-OD2 3.36Å; Y17-D85 HydrophobicContact CD1-CB 4.26Å; Y17-F86 HydrophobicContact CD1-CE2 4.17Å; Y17-F86 HydrophobicContact CG-CE2 4.41Å; Y17-I176 HydrophobicContact CD1-CD1 3.7Å; Y17-I176 HydrophobicContact CD2-CD1 4.09Å; Y17-I176 HydrophobicContact CE1-CD1 3.51Å; Y17-I176 HydrophobicContact CE1-CG2 4.13Å; Y17-I176 HydrophobicContact CE2-CD1 3.93Å; Y17-I176 HydrophobicContact CE2-CG2 4.46Å; Y17-I176 HydrophobicContact CG-CD1 3.99Å; Y17-I176 WeakPolarHBondContact OH-CG2 3.39Å
18K97.9Very high82.2Confident49 Ų4972.2 Ų72.221%0.21334%0.338CS..EExtended strand (participates in β ladder)trans-80.1126.1178.1-179.9176.5169.3-177.40109.8Y80 A82 S84 D85 F86K18-Y80 VanDerWaalsContact CE-O 3.27Å; K18-Y80 WeakPolarHBondContact CE-O 3.38Å; K18-Y80 PolarHBondContact NZ-O 2.83Å; K18-A82 PolarHBondContact NZ-O 3.25Å; K18-S84 WeakPolarHBondContact CE-OG 3.38Å; K18-D85 PolarHBondContact N-OD2 3.12Å; K18-D85 PolarHBondContact O-N 3.33Å; K18-F86 PolarHBondContact O-N 2.88Å
19V98.8Very high84.5Confident0 Ų066.3 Ų66.30%031%0.312CS..EExtended strand (participates in β ladder)trans-121.7132.6176.1-171.20000109F62 V63 M64 W65 F86 I88V19-F62 HydrophobicContact CG2-CB 4.16Å; V19-F62 HydrophobicContact CG2-CD1 3.56Å; V19-F62 HydrophobicContact CG2-CE1 4.37Å; V19-F62 HydrophobicContact CG2-CG 4.2Å; V19-V63 PolarHBondContact N-O 3.25Å; V19-M64 HydrophobicContact CB-CB 4.48Å; V19-M64 HydrophobicContact CB-CG 4Å; V19-M64 HydrophobicContact CG2-CE 4.38Å; V19-M64 HydrophobicContact CG2-CG 4.26Å; V19-M64 CarbonylContact O-C 3.54Å; V19-M64 WeakPolarHBondContact O-CA 3.5Å; V19-W65 PolarHBondContact O-N 2.94Å; V19-F86 WeakPolarHBondContact CA-O 3.47Å; V19-F86 HydrophobicContact CB-CB 4.47Å; V19-F86 HydrophobicContact CG1-CB 4.09Å; V19-F86 HydrophobicContact CG2-CB 4.13Å; V19-F86 HydrophobicContact CG2-CD2 4.33Å; V19-I88 HydrophobicContact CG1-CD1 3.66Å; V19-I88 HydrophobicContact CG1-CG1 3.7Å
20I98.8Very high86.9Confident0 Ų058.4 Ų58.40%028%0.283CS..EExtended strand (participates in β ladder)trans-107.9130.9169.161.4177.8000109.5L22 W65 I67 F81 S84 F86 V87 I88 L115I20-L22 HydrophobicContact CD1-CD1 3.82Å; I20-L22 HydrophobicContact CD1-CG 4.34Å; I20-L22 HydrophobicContact CG1-CD1 4.25Å; I20-L22 HydrophobicContact CG1-CG 4.32Å; I20-W65 HydrophobicContact CG2-CB 4.24Å; I20-I67 HydrophobicContact CB-CD1 4.13Å; I20-I67 HydrophobicContact CG2-CD1 4.28Å; I20-F81 HydrophobicContact CD1-CD1 3.58Å; I20-F81 HydrophobicContact CD1-CE1 3.99Å; I20-S84 WeakPolarHBondContact CG2-OG 3.32Å; I20-F86 PolarHBondContact N-O 3.31Å; I20-F86 VanDerWaalsContact N-O 3.1Å; I20-V87 HydrophobicContact CD1-CG1 4.47Å; I20-V87 HydrophobicContact CD1-CG2 3.97Å; I20-V87 HydrophobicContact CG1-CB 4.26Å; I20-V87 HydrophobicContact CG1-CG1 4.15Å; I20-V87 HydrophobicContact CG1-CG2 3.88Å; I20-I88 PolarHBondContact O-N 3.22Å; I20-L115 HydrophobicContact CD1-CD2 4.06Å
21I98.9Very high89.3Confident0 Ų048.1 Ų48.10%025%0.246CC..EExtended strand (participates in β ladder)trans-104.4112.4177.8-49.7177.4000107.8K29 L33 M64 W65 I67 I88 V90I21-K29 HydrophobicContact CG2-CB 3.79Å; I21-K29 HydrophobicContact CG2-CD 4.25Å; I21-K29 HydrophobicContact CG2-CG 3.98Å; I21-L33 HydrophobicContact CD1-CB 4.13Å; I21-L33 HydrophobicContact CD1-CD1 3.98Å; I21-M64 HydrophobicContact CD1-CB 4.3Å; I21-M64 HydrophobicContact CD1-SD 4.34Å; I21-W65 PolarHBondContact N-O 3.24Å; I21-I67 PolarHBondContact O-N 2.93Å; I21-I88 CarbonylContact C-O 3.57Å; I21-I88 WeakPolarHBondContact CA-O 2.93Å; I21-I88 HydrophobicContact CG1-CB 4.26Å; I21-I88 HydrophobicContact CG1-CD1 4.36Å; I21-I88 HydrophobicContact CG2-CB 4.37Å; I21-I88 HydrophobicContact CG2-CG2 4.17Å; I21-V90 HydrophobicContact CG2-CG2 3.79Å
22L98.8Very high91.5Very high0 Ų042.4 Ų42.40%022%0.216CC..EExtended strand (participates in β ladder)trans-122.6166.2-174.3-60.4-179.6000110.7I20 K29 I67 W77 F81 V87 I88 L89 V90 L109I20-L22 HydrophobicContact CD1-CD1 3.82Å; I20-L22 HydrophobicContact CD1-CG 4.34Å; I20-L22 HydrophobicContact CG1-CD1 4.25Å; I20-L22 HydrophobicContact CG1-CG 4.32Å; L22-K29 WeakPolarHBondContact O-CD 3.32Å; L22-I67 HydrophobicContact CD2-CB 3.95Å; L22-I67 HydrophobicContact CD2-CD1 3.55Å; L22-I67 HydrophobicContact CD2-CG1 4.3Å; L22-I67 HydrophobicContact CD2-CG2 4.4Å; L22-W77 HydrophobicContact CB-CE3 4.25Å; L22-W77 HydrophobicContact CB-CH2 4.13Å; L22-W77 HydrophobicContact CB-CZ2 4.46Å; L22-W77 HydrophobicContact CB-CZ3 3.98Å; L22-W77 HydrophobicContact CD1-CD2 4.42Å; L22-W77 HydrophobicContact CD1-CE3 3.95Å; L22-W77 HydrophobicContact CD1-CZ3 4.36Å; L22-W77 HydrophobicContact CD2-CB 4.32Å; L22-W77 HydrophobicContact CD2-CD2 3.68Å; L22-W77 HydrophobicContact CD2-CE3 4.01Å; L22-W77 HydrophobicContact CD2-CG 3.84Å; L22-W77 HydrophobicContact CD2-CZ2 4.48Å; L22-W77 HydrophobicContact CG-CD2 4.47Å; L22-W77 HydrophobicContact CG-CE3 4.32Å; L22-F81 HydrophobicContact CD1-CE1 3.94Å; L22-V87 HydrophobicContact CD1-CG1 4.1Å; L22-I88 PolarHBondContact N-O 2.64Å; L22-L89 HydrophobicContact CB-CD1 4.46Å; L22-L89 WeakPolarHBondContact O-CA 3.4Å; L22-V90 PolarHBondContact O-N 3.27Å; L22-L109 HydrophobicContact CD1-CD1 3.94Å; L22-L109 HydrophobicContact CD1-CD2 3.43Å; L22-L109 VanDerWaalsContact CD1-CD2 3.43Å; L22-L109 HydrophobicContact CD1-CG 4.34Å
23G98.7Very high93.6Very high1 Ų135.7 Ų35.71%0.0119%0.187CC..  trans138.8161.5-176.100000111.4K29 G69 W77G23-K29 WeakPolarHBondContact O-CE 3.27Å; G23-K29 PolarHBondContact O-NZ 2.92Å; G23-G69 VanDerWaalsContact O-CA 3.31Å; G23-G69 WeakPolarHBondContact O-CA 3.18Å; G23-W77 VanDerWaalsContact N-CH2 3.29Å; G23-W77 WeakPolarHBondContact O-CZ2 3.34Å
24L98.6Very high95.7Very high8 Ų832.2 Ų32.24%0.04216%0.164CC..  trans-59.2163-177.6-55.4-175.2000111.9A27 K29 R98 L101 T102 E105L24-A27 VanDerWaalsContact O-CB 3.31Å; L24-A27 WeakPolarHBondContact O-CB 3.13Å; L24-A27 PolarHBondContact O-N 2.88Å; L24-K29 PolarHBondContact O-NZ 2.84Å; L24-R98 HydrophobicContact CD1-CB 3.78Å; L24-L101 HydrophobicContact CD1-CB 3.96Å; L24-L101 HydrophobicContact CD2-CB 4.27Å; L24-T102 WeakPolarHBondContact CD1-OG1 3.17Å; L24-E105 HydrophobicContact CD2-CG 4.42Å
25D97.4Very high97.3Very high42 Ų4229.3 Ų29.323%0.22514%0.142CC..THydrogen-bonded Turntrans-54.6148.4167.556.9-78000111A27 G69 Q70 R98D25-A27 PolarHBondContact O-N 2.93Å; D25-A27 VanDerWaalsContact O-N 3.09Å; D25-G69 PolarHBondContact N-O 2.88Å; D25-G69 VanDerWaalsContact N-O 3.09Å; D25-Q70 HydrophobicContact CB-CG 4.17Å; D25-R98 PolarHBondContact O-NH2 3.32Å; D25-R98 IonicContact OD1-NH1 2.66Å; D25-R98 PolarHBondContact OD1-NH1 3.03Å; D25-R98 IonicContact OD2-CZ 2.99Å; D25-R98 IonicContact OD2-NH1 3.84Å; D25-R98 PolarHBondContact OD2-NH1 2.95Å; D25-R98 IonicContact OD2-NH2 2.74Å
26N96.9Very high98Very high116 Ų11623 Ų2362%0.6212%0.118SC*.THydrogen-bonded Turntrans65.40.2-177.2-163.459.3000116.5G28 K126N26-G28 PolarHBondContact O-N 2.94Å; N26-G28 VanDerWaalsContact O-N 3.16Å; N26-K126 PolarHBondContact ND2-NZ 2.84Å; N26-K126 VanDerWaalsContact ND2-NZ 3.17Å; N26-K126 WeakPolarHBondContact O-CE 3.33Å; N26-K126 PolarHBondContact O-NZ 3.32Å
27A98.5Very high98.2Very high2 Ų221.3 Ų21.32%0.01711%0.111CC..SBendtrans-66.1-17.2179.500000114.8L24 D25 V90 D92 N125L24-A27 VanDerWaalsContact O-CB 3.31Å; L24-A27 WeakPolarHBondContact O-CB 3.13Å; L24-A27 PolarHBondContact O-N 2.88Å; D25-A27 PolarHBondContact O-N 2.93Å; D25-A27 VanDerWaalsContact O-N 3.09Å; A27-V90 HydrophobicContact CB-CB 4.31Å; A27-V90 HydrophobicContact CB-CG1 4.04Å; A27-V90 VanDerWaalsContact O-CG1 3.3Å; A27-V90 WeakPolarHBondContact O-CG1 3.42Å; A27-D92 HydrophobicContact CB-CB 4.39Å; A27-N125 PolarHBondContact O-ND2 3.44Å
28G98.5Very high98.2Very high16 Ų1623.8 Ų23.817%0.16513%0.126CC..SBendtrans99.218177.700000115.6N26 T31 I32N26-G28 PolarHBondContact O-N 2.94Å; N26-G28 VanDerWaalsContact O-N 3.16Å; G28-T31 PolarHBondContact O-N 3.09Å; G28-I32 WeakPolarHBondContact O-CG1 3.4Å; G28-I32 PolarHBondContact O-N 2.94Å
29K98.7Very high98Very high11 Ų1127.2 Ų27.25%0.04814%0.141CC..Hα-helixtrans-54.5-53.6-179-59.1-175.3-59.9-67.60113.5I21 L22 G23 L24 T31 I32 L33 D66 I67 V90I21-K29 HydrophobicContact CG2-CB 3.79Å; I21-K29 HydrophobicContact CG2-CD 4.25Å; I21-K29 HydrophobicContact CG2-CG 3.98Å; L22-K29 WeakPolarHBondContact O-CD 3.32Å; G23-K29 WeakPolarHBondContact O-CE 3.27Å; G23-K29 PolarHBondContact O-NZ 2.92Å; L24-K29 PolarHBondContact O-NZ 2.84Å; K29-T31 VanDerWaalsContact C-N 3.34Å; K29-T31 PolarHBondContact O-N 2.66Å; K29-I32 WeakPolarHBondContact O-CB 3.48Å; K29-I32 PolarHBondContact O-N 3.48Å; K29-I32 VanDerWaalsContact O-N 3.16Å; K29-L33 PolarHBondContact O-N 2.75Å; K29-D66 WeakPolarHBondContact CB-OD1 3.2Å; K29-I67 WeakPolarHBondContact CE-O 3.45Å; K29-V90 HydrophobicContact CB-CG2 4.47Å; K29-V90 HydrophobicContact CG-CB 3.85Å; K29-V90 HydrophobicContact CG-CG2 3.79Å
30S98.4Very high97.7Very high11 Ų1133 Ų338%0.07717%0.168CC..Hα-helixtrans-64.2-39.8-179.1-42.20000111.7I32 L33 Y34 T47 D66S30-I32 PolarHBondContact O-N 2.87Å; S30-L33 PolarHBondContact O-N 2.72Å; S30-Y34 WeakPolarHBondContact O-CD2 3.43Å; S30-Y34 PolarHBondContact O-N 3.22Å; S30-T47 PolarHBondContact OG-OG1 3.29Å; S30-D66 WeakPolarHBondContact CA-OD2 3.48Å; S30-D66 VanDerWaalsContact CB-OD2 3.29Å; S30-D66 WeakPolarHBondContact CB-OD2 3.29Å; S30-D66 PolarHBondContact OG-OD2 2.97Å
31T98.6Very high97.3Very high15 Ų1535.2 Ų35.29%0.09219%0.186CC..Hα-helixtrans-62.7-41.2174-540000111.5G28 K29 Y34 Q35 A41 T44 A159 L160G28-T31 PolarHBondContact O-N 3.09Å; K29-T31 VanDerWaalsContact C-N 3.34Å; K29-T31 PolarHBondContact O-N 2.66Å; T31-Y34 PolarHBondContact O-N 2.76Å; T31-Q35 VanDerWaalsContact O-CB 3.31Å; T31-Q35 WeakPolarHBondContact O-CB 3.16Å; T31-Q35 PolarHBondContact O-N 3.01Å; T31-A41 HydrophobicContact CG2-CB 4.33Å; T31-T44 PolarHBondContact OG1-OG1 3.39Å; T31-A159 HydrophobicContact CG2-CB 3.75Å; T31-L160 HydrophobicContact CG2-CD2 4.14Å
32I98.8Very high96.9Very high0 Ų037.6 Ų37.60%020%0.201CC..Hα-helixtrans-61.2-45.9173.6-71.4174.3000111G28 K29 S30 Y34 Q35 F36 V90 F123 N125 A159 L165G28-I32 WeakPolarHBondContact O-CG1 3.4Å; G28-I32 PolarHBondContact O-N 2.94Å; K29-I32 WeakPolarHBondContact O-CB 3.48Å; K29-I32 PolarHBondContact O-N 3.48Å; K29-I32 VanDerWaalsContact O-N 3.16Å; S30-I32 PolarHBondContact O-N 2.87Å; I32-Y34 PolarHBondContact O-N 3.42Å; I32-Q35 WeakPolarHBondContact O-CB 3.4Å; I32-Q35 PolarHBondContact O-N 3.21Å; I32-F36 HydrophobicContact CG2-CD2 3.9Å; I32-F36 HydrophobicContact CG2-CE2 3.34Å; I32-F36 HydrophobicContact CG2-CZ 3.84Å; I32-F36 WeakPolarHBondContact O-CD2 3.45Å; I32-F36 WeakPolarHBondContact O-CG 3.38Å; I32-F36 PolarHBondContact O-N 2.75Å; I32-V90 HydrophobicContact CD1-CG1 3.73Å; I32-V90 HydrophobicContact CD1-CG2 3.92Å; I32-F123 HydrophobicContact CD1-CB 4.28Å; I32-F123 HydrophobicContact CD1-CD2 4.12Å; I32-F123 HydrophobicContact CD1-CG 4.35Å; I32-F123 HydrophobicContact CG2-CD2 4.45Å; I32-F123 HydrophobicContact CG2-CE2 4.29Å; I32-N125 HydrophobicContact CD1-CB 4.47Å; I32-A159 HydrophobicContact CD1-CB 4.43Å; I32-A159 HydrophobicContact CG1-CB 3.54Å; I32-L165 HydrophobicContact CD1-CD2 4.14Å; I32-L165 HydrophobicContact CG1-CD1 4.35Å; I32-L165 HydrophobicContact CG1-CD2 3.97Å; I32-L165 HydrophobicContact CG2-CD1 4.31Å; I32-L165 HydrophobicContact CG2-CD2 4.06Å
33L98.6Very high96.5Very high0 Ų046.7 Ų46.70%024%0.243CC..Hα-helixtrans-58-50.3178.1-178.261.9000111I21 K29 S30 Q35 F36 V37 E53 V55 M64 D66I21-L33 HydrophobicContact CD1-CB 4.13Å; I21-L33 HydrophobicContact CD1-CD1 3.98Å; K29-L33 PolarHBondContact O-N 2.75Å; S30-L33 PolarHBondContact O-N 2.72Å; L33-Q35 VanDerWaalsContact C-N 3.32Å; L33-Q35 PolarHBondContact O-N 2.77Å; L33-F36 WeakPolarHBondContact O-CB 3.45Å; L33-F36 PolarHBondContact O-N 3.24Å; L33-V37 HydrophobicContact CD1-CG2 4.48Å; L33-V37 WeakPolarHBondContact O-CG2 3.39Å; L33-V37 PolarHBondContact O-N 3.05Å; L33-E53 HydrophobicContact CD1-CB 4.04Å; L33-E53 HydrophobicContact CD1-CG 4.42Å; L33-E53 HydrophobicContact CD2-CB 4.19Å; L33-E53 HydrophobicContact CD2-CG 3.77Å; L33-E53 HydrophobicContact CG-CB 4.25Å; L33-E53 HydrophobicContact CG-CG 4.07Å; L33-V55 HydrophobicContact CD1-CG2 4.28Å; L33-M64 HydrophobicContact CD1-CB 3.63Å; L33-M64 HydrophobicContact CD1-CG 4.4Å; L33-M64 HydrophobicContact CD1-SD 4.15Å; L33-D66 HydrophobicContact CD2-CB 3.63Å
34Y98Very high96.2Very high61 Ų6149.1 Ų49.124%0.23926%0.258CS..Hα-helixtrans-67.4-32.2178.7-70.2-53.8000112.8S30 T31 I32 F36 V37 L38 V42 T44S30-Y34 WeakPolarHBondContact O-CD2 3.43Å; S30-Y34 PolarHBondContact O-N 3.22Å; T31-Y34 PolarHBondContact O-N 2.76Å; I32-Y34 PolarHBondContact O-N 3.42Å; Y34-F36 PolarHBondContact O-N 3.04Å; Y34-V37 PolarHBondContact O-N 3.35Å; Y34-L38 HydrophobicContact CD1-CD1 4.1Å; Y34-L38 WeakPolarHBondContact O-CA 3.43Å; Y34-L38 WeakPolarHBondContact O-CB 3.41Å; Y34-L38 PolarHBondContact O-N 2.84Å; Y34-V42 HydrophobicContact CD2-CB 4.32Å; Y34-V42 HydrophobicContact CG-CB 4.36Å; Y34-T44 HydrophobicContact CD2-CG2 3.7Å; Y34-T44 HydrophobicContact CE2-CG2 3.86Å
35Q98.2Very high95.9Very high20 Ų2053.4 Ų53.49%0.09329%0.288CS..Hα-helixtrans-61.7-35.8170.9-164.468.718.300111.3T31 I32 L33 K39 E40 A159 L165T31-Q35 VanDerWaalsContact O-CB 3.31Å; T31-Q35 WeakPolarHBondContact O-CB 3.16Å; T31-Q35 PolarHBondContact O-N 3.01Å; I32-Q35 WeakPolarHBondContact O-CB 3.4Å; I32-Q35 PolarHBondContact O-N 3.21Å; L33-Q35 VanDerWaalsContact C-N 3.32Å; L33-Q35 PolarHBondContact O-N 2.77Å; Q35-K39 WeakPolarHBondContact O-CA 3.39Å; Q35-K39 PolarHBondContact O-N 2.84Å; Q35-K39 VanDerWaalsContact O-N 3.09Å; Q35-E40 PolarHBondContact OE1-O 3.39Å; Q35-A159 PolarHBondContact OE1-O 2.96Å; Q35-L165 HydrophobicContact CB-CD1 3.77Å; Q35-L165 HydrophobicContact CG-CD1 3.59Å
36F98.1Very high95.7Very high9 Ų956.4 Ų56.44%0.03931%0.31CS..Hα-helixtrans-69.9-40.9174.6-68.1-41.7000113.3I32 L33 Y34 K39 V55 M64 F123 L165 L169I32-F36 HydrophobicContact CG2-CD2 3.9Å; I32-F36 HydrophobicContact CG2-CE2 3.34Å; I32-F36 HydrophobicContact CG2-CZ 3.84Å; I32-F36 WeakPolarHBondContact O-CD2 3.45Å; I32-F36 WeakPolarHBondContact O-CG 3.38Å; I32-F36 PolarHBondContact O-N 2.75Å; L33-F36 WeakPolarHBondContact O-CB 3.45Å; L33-F36 PolarHBondContact O-N 3.24Å; Y34-F36 PolarHBondContact O-N 3.04Å; F36-K39 PolarHBondContact O-NZ 2.8Å; F36-V55 HydrophobicContact CB-CG1 3.87Å; F36-V55 HydrophobicContact CB-CG2 3.94Å; F36-M64 HydrophobicContact CD2-CE 4.46Å; F36-M64 HydrophobicContact CD2-SD 3.97Å; F36-M64 HydrophobicContact CE2-SD 4.43Å; F36-F123 HydrophobicContact CE2-CE2 4.34Å; F36-F123 AromaticContact CZ-CE2 3.93Å; F36-F123 HydrophobicContact CZ-CE2 3.93Å; F36-F123 AromaticContact CZ-CZ 3.95Å; F36-F123 HydrophobicContact CZ-CZ 3.95Å; F36-L165 HydrophobicContact CD1-CB 4.47Å; F36-L165 HydrophobicContact CE1-CB 3.6Å; F36-L165 HydrophobicContact CE1-CD1 4.31Å; F36-L165 HydrophobicContact CE1-CG 4.45Å; F36-L165 HydrophobicContact CZ-CB 4.07Å; F36-L165 HydrophobicContact CZ-CD2 4.43Å; F36-L169 HydrophobicContact CD1-CD1 3.45Å; F36-L169 VanDerWaalsContact CD1-CD1 3.45Å; F36-L169 HydrophobicContact CD1-CG 4.09Å; F36-L169 HydrophobicContact CE1-CD1 3.34Å; F36-L169 HydrophobicContact CE1-CD2 3.98Å; F36-L169 HydrophobicContact CE1-CG 3.44Å; F36-L169 VanDerWaalsContact CE1-CG 3.44Å; F36-L169 HydrophobicContact CE2-CD2 4.09Å; F36-L169 HydrophobicContact CE2-CG 4.45Å; F36-L169 HydrophobicContact CG-CD1 4.16Å; F36-L169 HydrophobicContact CZ-CD1 3.99Å; F36-L169 HydrophobicContact CZ-CD2 3.73Å; F36-L169 HydrophobicContact CZ-CG 3.67Å
37V97Very high95.4Very high50 Ų5052.1 Ų52.130%0.30329%0.288SS..Hα-helixtrans-77.3-50.6-176.1177.50000111.5L33 Y34 E53 V55L33-V37 HydrophobicContact CD1-CG2 4.48Å; L33-V37 WeakPolarHBondContact O-CG2 3.39Å; L33-V37 PolarHBondContact O-N 3.05Å; Y34-V37 PolarHBondContact O-N 3.35Å; V37-E53 HydrophobicContact CG2-CB 3.66Å; V37-E53 HydrophobicContact CG2-CG 4.02Å; V37-V55 HydrophobicContact CG2-CG2 3.75Å
38L96Very high95Very high88 Ų8859.8 Ų59.846%0.46133%0.327SS..Hα-helixtrans-102.5-12.8-168.4-56.9175.1000113.5Y34 E40 V42Y34-L38 HydrophobicContact CD1-CD1 4.1Å; Y34-L38 WeakPolarHBondContact O-CA 3.43Å; Y34-L38 WeakPolarHBondContact O-CB 3.41Å; Y34-L38 PolarHBondContact O-N 2.84Å; L38-E40 HydrophobicContact CB-CG 3.98Å; L38-E40 PolarHBondContact O-N 2.83Å; L38-V42 HydrophobicContact CD1-CG2 3.6Å
39K94.4Very high94.6Very high121 Ų12160.5 Ų60.553%0.52633%0.334SS..SBendtrans61.617.6-174.6-49.3-53.4-175.5-160.40114.1Q35 F36Q35-K39 WeakPolarHBondContact O-CA 3.39Å; Q35-K39 PolarHBondContact O-N 2.84Å; Q35-K39 VanDerWaalsContact O-N 3.09Å; F36-K39 PolarHBondContact O-NZ 2.8Å
40E92.2Very high94.4Very high123 Ų12361.9 Ų61.958%0.57535%0.346SS*.SBendtrans-142.8153.8176.265-179.9-170.900111Q35 L38 V42Q35-E40 PolarHBondContact OE1-O 3.39Å; L38-E40 HydrophobicContact CB-CG 3.98Å; L38-E40 PolarHBondContact O-N 2.83Å; E40-V42 PolarHBondContact O-N 3.35Å
41A90Very high94.3Very high45 Ų4563.7 Ų63.737%0.37235%0.354SS..PPolyproline II helixtrans-80.7119.1-178.600000109.3T31 L160T31-A41 HydrophobicContact CG2-CB 4.33Å; A41-L160 HydrophobicContact CB-CD2 4.15Å; A41-L160 WeakPolarHBondContact CB-O 3.42Å
42V90.8Very high94.2Very high51 Ų5165.5 Ų65.531%0.30937%0.366SS..PPolyproline II helixtrans-98.7137.3174.5-178.70000109.3Y34 L38 E40 T44Y34-V42 HydrophobicContact CD2-CB 4.32Å; Y34-V42 HydrophobicContact CG-CB 4.36Å; L38-V42 HydrophobicContact CD1-CG2 3.6Å; E40-V42 PolarHBondContact O-N 3.35Å; V42-T44 PolarHBondContact O-N 3.49Å
43Q89.9Confident94.2Very high191 Ų19168.3 Ų68.389%0.89338%0.378SS*.PPolyproline II helixtrans-64.4122.5170.2-176.5177.7-9.300109.1
44T92.6Very high94.1Very high51 Ų5174.4 Ų74.431%0.31341%0.407SS..  trans-113.3151.6-178.859.40000111.1T31 Y34 V42T31-T44 PolarHBondContact OG1-OG1 3.39Å; Y34-T44 HydrophobicContact CD2-CG2 3.7Å; Y34-T44 HydrophobicContact CE2-CG2 3.86Å; V42-T44 PolarHBondContact O-N 3.49Å
45S92.4Very high94.1Very high98 Ų9871.6 Ų71.669%0.68540%0.396SS*.PPolyproline II helixtrans-103.5161.9167.2-65.80000109.2T47S45-T47 PolarHBondContact O-N 2.88Å; S45-T47 VanDerWaalsContact O-N 3.11Å
46P92.9Very high93.9Very high105 Ų10578.2 Ų78.268%0.68243%0.425SS*.PPolyproline II helixtrans-50.7120.6176.6-28.135.6000112.2I48P46-I48 PolarHBondContact O-N 3.1Å
47T91.8Very high93.8Very high26 Ų2679.9 Ų79.916%0.1643%0.431CS..PPolyproline II helixtrans-64.5126.4178.8-49.90000110.3S30 S45 D66 Q70S30-T47 PolarHBondContact OG-OG1 3.29Å; S45-T47 PolarHBondContact O-N 2.88Å; S45-T47 VanDerWaalsContact O-N 3.11Å; T47-D66 PolarHBondContact OG1-OD2 2.79Å; T47-Q70 PolarHBondContact O-NE2 3.23Å; T47-Q70 PolarHBondContact O-OE1 3.09Å
48I88.4Confident93.5Very high163 Ų16384.5 Ų84.584%0.83645%0.447SS*.SBendtrans-94.7116.2170.7-58.9174.9000107.3P46 S50P46-I48 PolarHBondContact O-N 3.1Å; I48-S50 PolarHBondContact O-N 3.2Å
49G91.6Very high93.2Very high31 Ų3187 Ų8732%0.3246%0.461SS..SBendtrans76.3-114.9-177.400000112.2G68G49-G68 PolarHBondContact O-N 2.86Å
50S94.3Very high93.1Very high41 Ų4182.1 Ų82.129%0.28744%0.44SS..EExtended strand (participates in β ladder)trans-144.3155179.958.70000113I48 D66 Y80I48-S50 PolarHBondContact O-N 3.2Å; S50-D66 CarbonylContact C-O 3.53Å; S50-D66 WeakPolarHBondContact CA-O 3.29Å; S50-D66 WeakPolarHBondContact CB-O 3.36Å; S50-Y80 WeakPolarHBondContact CB-OH 3.44Å; S50-Y80 WeakPolarHBondContact OG-CE1 3.31Å; S50-Y80 PolarHBondContact OG-OH 3.28Å
51N95.6Very high93.3Very high48 Ų4877.2 Ų77.226%0.25742%0.417SS..EExtended strand (participates in β ladder)trans-119.9148.7168-171.662.8000109.5E53 W65 D66N51-E53 WeakPolarHBondContact ND2-CG 3.16Å; N51-E53 PolarHBondContact ND2-OE1 3.29Å; N51-W65 CarbonylContact O-C 3.57Å; N51-W65 WeakPolarHBondContact O-CA 3.32Å; N51-D66 HydrophobicContact CB-CB 4.46Å; N51-D66 PolarHBondContact N-O 3.27Å; N51-D66 PolarHBondContact O-N 3.26Å
52V97.5Very high93.6Very high54 Ų5475 Ų7533%0.32740%0.399SS..EExtended strand (participates in β ladder)trans-129.9128.7-179.9-171.60000109.7V63 M64 W65V52-V63 HydrophobicContact CG1-CG1 3.59Å; V52-M64 WeakPolarHBondContact CA-O 3.37Å; V52-W65 HydrophobicContact CB-CD2 4.47Å; V52-W65 HydrophobicContact CG1-CD2 4.27Å; V52-W65 HydrophobicContact CG1-CZ2 4.3Å; V52-W65 HydrophobicContact CG2-CD2 3.42Å; V52-W65 VanDerWaalsContact CG2-CD2 3.42Å; V52-W65 HydrophobicContact CG2-CE3 3.17Å; V52-W65 HydrophobicContact CG2-CG 4.14Å; V52-W65 HydrophobicContact CG2-CH2 3.68Å; V52-W65 HydrophobicContact CG2-CZ2 3.9Å; V52-W65 HydrophobicContact CG2-CZ3 3.31Å
53E98Very high94Very high58 Ų5874.1 Ų74.127%0.27139%0.394SS..EExtended strand (participates in β ladder)trans-132.5150.7174.9-61.7-66.616500111L33 V37 N51 M64L33-E53 HydrophobicContact CD1-CB 4.04Å; L33-E53 HydrophobicContact CD1-CG 4.42Å; L33-E53 HydrophobicContact CD2-CB 4.19Å; L33-E53 HydrophobicContact CD2-CG 3.77Å; L33-E53 HydrophobicContact CG-CB 4.25Å; L33-E53 HydrophobicContact CG-CG 4.07Å; V37-E53 HydrophobicContact CG2-CB 3.66Å; V37-E53 HydrophobicContact CG2-CG 4.02Å; N51-E53 WeakPolarHBondContact ND2-CG 3.16Å; N51-E53 PolarHBondContact ND2-OE1 3.29Å; E53-M64 PolarHBondContact N-O 3.11Å; E53-M64 PolarHBondContact O-N 3.4Å
54E96.9Very high94.4Very high128 Ų12865 Ų6560%0.59835%0.351SS*.EExtended strand (participates in β ladder)trans-90.4124.7169.7-67.6-175.1-166.900110.2H61 F62E54-H61 VanDerWaalsContact CD-NE2 3.32Å; E54-H61 IonicContact OE2-CD2 3.94Å; E54-H61 IonicContact OE2-CE1 3.42Å; E54-H61 PolarHBondContact OE2-CE1 2.63Å; E54-H61 IonicContact OE2-NE2 2.75Å; E54-H61 PolarHBondContact OE2-NE2 3.23Å; E54-F62 CarbonylContact C-O 3.55Å; E54-F62 WeakPolarHBondContact CA-O 3.17Å
55V97.1Very high94.7Very high2 Ų266.1 Ų66.11%0.01235%0.35CS..EExtended strand (participates in β ladder)trans-118.5122.6179.1175.20000109.4L33 F36 V37 F62 M64L33-V55 HydrophobicContact CD1-CG2 4.28Å; F36-V55 HydrophobicContact CB-CG1 3.87Å; F36-V55 HydrophobicContact CB-CG2 3.94Å; V37-V55 HydrophobicContact CG2-CG2 3.75Å; V55-F62 HydrophobicContact CB-CB 4.35Å; V55-F62 PolarHBondContact N-O 2.8Å; V55-F62 PolarHBondContact O-N 2.81Å; V55-M64 HydrophobicContact CB-CE 3.89Å; V55-M64 HydrophobicContact CB-CG 4.26Å; V55-M64 HydrophobicContact CB-SD 4.04Å; V55-M64 HydrophobicContact CG1-CE 3.93Å; V55-M64 HydrophobicContact CG1-SD 4.45Å; V55-M64 HydrophobicContact CG2-CE 4.25Å; V55-M64 HydrophobicContact CG2-CG 4.05Å; V55-M64 HydrophobicContact CG2-SD 3.74Å
56K94.9Very high95Very high159 Ų15961.5 Ų61.569%0.69132%0.318SS*.EExtended strand (participates in β ladder)trans-93.9128.7170.7-66.7-178.1-177.9175.90110
57W95.4Very high95.2Very high44 Ų4456.6 Ų56.617%0.16729%0.285CS..EExtended strand (participates in β ladder)trans-135.9116.7172.3-172.5-106.9000109.3N59 L60 F62 P166 L169 D170W57-N59 PolarHBondContact O-N 3.22Å; W57-L60 PolarHBondContact N-O 3.44Å; W57-L60 WeakPolarHBondContact O-CB 3.4Å; W57-L60 PolarHBondContact O-N 3.14Å; W57-F62 HydrophobicContact CB-CD2 4.34Å; W57-F62 HydrophobicContact CB-CE2 3.91Å; W57-P166 HydrophobicContact CH2-CB 3.63Å; W57-P166 HydrophobicContact CH2-CG 4.21Å; W57-P166 HydrophobicContact CZ2-CB 4.01Å; W57-L169 HydrophobicContact CB-CD1 4.21Å; W57-L169 HydrophobicContact CD2-CB 3.76Å; W57-L169 HydrophobicContact CD2-CD1 3.61Å; W57-L169 HydrophobicContact CD2-CG 4.36Å; W57-L169 HydrophobicContact CE3-CB 4.42Å; W57-L169 HydrophobicContact CE3-CD1 3.53Å; W57-L169 HydrophobicContact CG-CB 3.88Å; W57-L169 HydrophobicContact CG-CD1 3.92Å; W57-L169 HydrophobicContact CZ2-CB 4.23Å; W57-L169 HydrophobicContact CZ3-CD1 4.16Å; W57-D170 WeakPolarHBondContact CZ2-OD1 3.48Å; W57-D170 PolarHBondContact NE1-OD1 2.82Å
58K90.9Very high95.4Very high147 Ų14755.4 Ų55.464%0.63928%0.278SS*.THydrogen-bonded Turntrans54.2-123.6-172-60.3173.3169.8168.60110.1D170K58-D170 WeakPolarHBondContact CE-OD1 3.43Å; K58-D170 IonicContact NZ-OD1 3.76Å; K58-D170 PolarHBondContact NZ-OD1 3.13Å; K58-D170 IonicContact NZ-OD2 2.72Å
59N88.9Confident95.8Very high141 Ų14147.7 Ų47.775%0.75424%0.239SC*.THydrogen-bonded Turntrans-95.710.2176.766.2-43000113.5W57W57-N59 PolarHBondContact O-N 3.22Å
60L93.4Very high96Very high18 Ų1848.3 Ų48.39%0.09423%0.234CC..EExtended strand (participates in β ladder)trans-101.9143.8-178.7-54.6174000110.6Y17 W57 F62 A173 I176Y17-L60 HydrophobicContact CD2-CD2 4.48Å; Y17-L60 HydrophobicContact CE2-CD2 3.82Å; W57-L60 PolarHBondContact N-O 3.44Å; W57-L60 WeakPolarHBondContact O-CB 3.4Å; W57-L60 PolarHBondContact O-N 3.14Å; L60-F62 HydrophobicContact CB-CD2 4.42Å; L60-F62 HydrophobicContact CB-CE2 3.67Å; L60-F62 HydrophobicContact CB-CZ 3.82Å; L60-F62 HydrophobicContact CD1-CE2 4.17Å; L60-F62 HydrophobicContact CD1-CZ 3.71Å; L60-F62 HydrophobicContact CG-CZ 4.41Å; L60-A173 HydrophobicContact CD1-CB 3.61Å; L60-I176 HydrophobicContact CD1-CD1 4.32Å; L60-I176 HydrophobicContact CD1-CG1 3.79Å; L60-I176 HydrophobicContact CD2-CG1 4.16Å; L60-I176 HydrophobicContact CD2-CG2 4.48Å
61H95.4Very high95.9Very high20 Ų2051.2 Ų51.29%0.09325%0.25CC..EExtended strand (participates in β ladder)trans-115.4126.2172.7-176.5-82.1000109.1D16 Y17 E54D16-H61 VanDerWaalsContact CG-ND1 3.28Å; D16-H61 IonicContact OD1-CE1 3.8Å; D16-H61 IonicContact OD1-CG 3.81Å; D16-H61 IonicContact OD1-ND1 3.12Å; D16-H61 PolarHBondContact OD1-ND1 3.13Å; D16-H61 VanDerWaalsContact OD1-ND1 3.12Å; D16-H61 IonicContact OD2-CE1 3.95Å; D16-H61 IonicContact OD2-ND1 3.86Å; Y17-H61 PolarHBondContact N-O 3.22Å; E54-H61 VanDerWaalsContact CD-NE2 3.32Å; E54-H61 IonicContact OE2-CD2 3.94Å; E54-H61 IonicContact OE2-CE1 3.42Å; E54-H61 PolarHBondContact OE2-CE1 2.63Å; E54-H61 IonicContact OE2-NE2 2.75Å; E54-H61 PolarHBondContact OE2-NE2 3.23Å
62F97.4Very high95.7Very high0 Ų054 Ų540%027%0.273CS..EExtended strand (participates in β ladder)trans-116.7135-179.3-63-76.8000110.1Y17 V19 E54 V55 W57 L60 M64 F86 I172Y17-F62 HydrophobicContact CD2-CE1 4.28Å; Y17-F62 HydrophobicContact CG-CD1 4.43Å; Y17-F62 HydrophobicContact CG-CE1 4.2Å; Y17-F62 VanDerWaalsContact O-CA 3.32Å; Y17-F62 WeakPolarHBondContact O-CA 3.24Å; V19-F62 HydrophobicContact CG2-CB 4.16Å; V19-F62 HydrophobicContact CG2-CD1 3.56Å; V19-F62 HydrophobicContact CG2-CE1 4.37Å; V19-F62 HydrophobicContact CG2-CG 4.2Å; E54-F62 CarbonylContact C-O 3.55Å; E54-F62 WeakPolarHBondContact CA-O 3.17Å; V55-F62 HydrophobicContact CB-CB 4.35Å; V55-F62 PolarHBondContact N-O 2.8Å; V55-F62 PolarHBondContact O-N 2.81Å; W57-F62 HydrophobicContact CB-CD2 4.34Å; W57-F62 HydrophobicContact CB-CE2 3.91Å; L60-F62 HydrophobicContact CB-CD2 4.42Å; L60-F62 HydrophobicContact CB-CE2 3.67Å; L60-F62 HydrophobicContact CB-CZ 3.82Å; L60-F62 HydrophobicContact CD1-CE2 4.17Å; L60-F62 HydrophobicContact CD1-CZ 3.71Å; L60-F62 HydrophobicContact CG-CZ 4.41Å; F62-M64 HydrophobicContact CB-CE 3.66Å; F62-M64 HydrophobicContact CB-CG 3.93Å; F62-M64 HydrophobicContact CD2-CE 4.06Å; F62-M64 HydrophobicContact CG-CE 3.85Å; F62-F86 HydrophobicContact CE1-CD2 4.35Å; F62-F86 HydrophobicContact CE1-CE2 4.26Å; F62-I172 HydrophobicContact CE1-CG2 3.58Å; F62-I172 HydrophobicContact CZ-CG2 3.55Å
63V98.2Very high95.4Very high32 Ų3253 Ų5319%0.19427%0.267CS..EExtended strand (participates in β ladder)trans-101.7103.2166.2-178.70000107D16 Y17 V19 V52D16-V63 HydrophobicContact CB-CG2 4.13Å; Y17-V63 PolarHBondContact O-N 3.27Å; V19-V63 PolarHBondContact N-O 3.25Å; V52-V63 HydrophobicContact CG1-CG1 3.59Å
64M98.6Very high95.2Very high0 Ų051.4 Ų51.40%026%0.259CS..EExtended strand (participates in β ladder)trans-101.2122.2-172.3-59-160.6174.100111V19 I21 L33 F36 V52 E53 V55 F62 L169V19-M64 HydrophobicContact CB-CB 4.48Å; V19-M64 HydrophobicContact CB-CG 4Å; V19-M64 HydrophobicContact CG2-CE 4.38Å; V19-M64 HydrophobicContact CG2-CG 4.26Å; V19-M64 CarbonylContact O-C 3.54Å; V19-M64 WeakPolarHBondContact O-CA 3.5Å; I21-M64 HydrophobicContact CD1-CB 4.3Å; I21-M64 HydrophobicContact CD1-SD 4.34Å; L33-M64 HydrophobicContact CD1-CB 3.63Å; L33-M64 HydrophobicContact CD1-CG 4.4Å; L33-M64 HydrophobicContact CD1-SD 4.15Å; F36-M64 HydrophobicContact CD2-CE 4.46Å; F36-M64 HydrophobicContact CD2-SD 3.97Å; F36-M64 HydrophobicContact CE2-SD 4.43Å; V52-M64 WeakPolarHBondContact CA-O 3.37Å; E53-M64 PolarHBondContact N-O 3.11Å; E53-M64 PolarHBondContact O-N 3.4Å; V55-M64 HydrophobicContact CB-CE 3.89Å; V55-M64 HydrophobicContact CB-CG 4.26Å; V55-M64 HydrophobicContact CB-SD 4.04Å; V55-M64 HydrophobicContact CG1-CE 3.93Å; V55-M64 HydrophobicContact CG1-SD 4.45Å; V55-M64 HydrophobicContact CG2-CE 4.25Å; V55-M64 HydrophobicContact CG2-CG 4.05Å; V55-M64 HydrophobicContact CG2-SD 3.74Å; F62-M64 HydrophobicContact CB-CE 3.66Å; F62-M64 HydrophobicContact CB-CG 3.93Å; F62-M64 HydrophobicContact CD2-CE 4.06Å; F62-M64 HydrophobicContact CG-CE 3.85Å; M64-L169 HydrophobicContact CE-CD2 3.88Å
65W98.6Very high95.1Very high73 Ų7349.4 Ų49.428%0.27726%0.264SS..EExtended strand (participates in β ladder)trans-100.7108.1178-63.871.3000109.5V19 I20 I21 N51 V52 I67 Y80V19-W65 PolarHBondContact O-N 2.94Å; I20-W65 HydrophobicContact CG2-CB 4.24Å; I21-W65 PolarHBondContact N-O 3.24Å; N51-W65 CarbonylContact O-C 3.57Å; N51-W65 WeakPolarHBondContact O-CA 3.32Å; V52-W65 HydrophobicContact CB-CD2 4.47Å; V52-W65 HydrophobicContact CG1-CD2 4.27Å; V52-W65 HydrophobicContact CG1-CZ2 4.3Å; V52-W65 HydrophobicContact CG2-CD2 3.42Å; V52-W65 VanDerWaalsContact CG2-CD2 3.42Å; V52-W65 HydrophobicContact CG2-CE3 3.17Å; V52-W65 HydrophobicContact CG2-CG 4.14Å; V52-W65 HydrophobicContact CG2-CH2 3.68Å; V52-W65 HydrophobicContact CG2-CZ2 3.9Å; V52-W65 HydrophobicContact CG2-CZ3 3.31Å; W65-I67 HydrophobicContact CB-CD1 4.48Å; W65-I67 HydrophobicContact CB-CG1 4.42Å; W65-Y80 HydrophobicContact CD2-CD1 4.2Å; W65-Y80 AromaticContact CE3-CD1 3.54Å; W65-Y80 HydrophobicContact CE3-CD1 3.54Å; W65-Y80 AromaticContact CE3-CE1 3.53Å; W65-Y80 HydrophobicContact CE3-CE1 3.53Å; W65-Y80 HydrophobicContact CZ3-CD1 4.06Å; W65-Y80 AromaticContact CZ3-CE1 3.78Å; W65-Y80 HydrophobicContact CZ3-CE1 3.78Å
66D98.4Very high94.9Very high2 Ų251.6 Ų51.61%0.01128%0.279CS..EExtended strand (participates in β ladder)trans-83.6121.1167.9171.743.2000109.6K29 S30 L33 T47 S50 N51K29-D66 WeakPolarHBondContact CB-OD1 3.2Å; S30-D66 WeakPolarHBondContact CA-OD2 3.48Å; S30-D66 VanDerWaalsContact CB-OD2 3.29Å; S30-D66 WeakPolarHBondContact CB-OD2 3.29Å; S30-D66 PolarHBondContact OG-OD2 2.97Å; L33-D66 HydrophobicContact CD2-CB 3.63Å; T47-D66 PolarHBondContact OG1-OD2 2.79Å; S50-D66 CarbonylContact C-O 3.53Å; S50-D66 WeakPolarHBondContact CA-O 3.29Å; S50-D66 WeakPolarHBondContact CB-O 3.36Å; N51-D66 HydrophobicContact CB-CB 4.46Å; N51-D66 PolarHBondContact N-O 3.27Å; N51-D66 PolarHBondContact O-N 3.26Å
67I98.1Very high95.1Very high1 Ų144.2 Ų44.21%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-116.4137-172.5-58.1159.5000109.5I20 I21 L22 K29 W65 G69 W77 Y80I20-I67 HydrophobicContact CB-CD1 4.13Å; I20-I67 HydrophobicContact CG2-CD1 4.28Å; I21-I67 PolarHBondContact O-N 2.93Å; L22-I67 HydrophobicContact CD2-CB 3.95Å; L22-I67 HydrophobicContact CD2-CD1 3.55Å; L22-I67 HydrophobicContact CD2-CG1 4.3Å; L22-I67 HydrophobicContact CD2-CG2 4.4Å; K29-I67 WeakPolarHBondContact CE-O 3.45Å; W65-I67 HydrophobicContact CB-CD1 4.48Å; W65-I67 HydrophobicContact CB-CG1 4.42Å; I67-G69 PolarHBondContact O-N 3.4Å; I67-W77 VanDerWaalsContact CG2-CD1 3.44Å; I67-W77 HydrophobicContact CG2-CG 4.41Å; I67-Y80 HydrophobicContact CD1-CD1 4.07Å; I67-Y80 HydrophobicContact CD1-CD2 3.67Å; I67-Y80 HydrophobicContact CD1-CE2 4.41Å; I67-Y80 HydrophobicContact CD1-CG 3.47Å; I67-Y80 VanDerWaalsContact CD1-CG 3.47Å; I67-Y80 HydrophobicContact CG1-CD1 4.32Å; I67-Y80 HydrophobicContact CG1-CD2 4.08Å; I67-Y80 HydrophobicContact CG1-CE2 4.35Å; I67-Y80 HydrophobicContact CG1-CG 4.07Å; I67-Y80 HydrophobicContact CG2-CD2 4.22Å; I67-Y80 HydrophobicContact CG2-CE2 4.12Å
68G96.7Very high95.2Very high1 Ų146 Ų461%0.0126%0.263CS..  trans-51.1136.5178.700000112.8G49 V73 W77G49-G68 PolarHBondContact O-N 2.86Å; G68-V73 WeakPolarHBondContact O-CG2 3.17Å; G68-W77 PolarHBondContact O-NE1 3.12Å
69G96.6Very high95.5Very high1 Ų143.7 Ų43.71%0.0126%0.261CS..  trans-103.2-1.4-17500000115.1G23 D25 I67G23-G69 VanDerWaalsContact O-CA 3.31Å; G23-G69 WeakPolarHBondContact O-CA 3.18Å; D25-G69 PolarHBondContact N-O 2.88Å; D25-G69 VanDerWaalsContact N-O 3.09Å; I67-G69 PolarHBondContact O-N 3.4Å
70Q94.6Very high95.9Very high45 Ų4539 Ų3921%0.2123%0.233CC..SBendtrans-67148-176.4-47.785.143.200110.2D25 T47 S72 V73 R74D25-Q70 HydrophobicContact CB-CG 4.17Å; T47-Q70 PolarHBondContact O-NE2 3.23Å; T47-Q70 PolarHBondContact O-OE1 3.09Å; Q70-S72 PolarHBondContact O-N 3.42Å; Q70-S72 VanDerWaalsContact O-N 3.09Å; Q70-V73 HydrophobicContact CB-CG2 4.15Å; Q70-V73 WeakPolarHBondContact O-CG2 3.29Å; Q70-V73 PolarHBondContact O-N 3.16Å; Q70-R74 PolarHBondContact O-N 3.43Å
71T93.4Very high96.2Very high101 Ų10138.5 Ų38.562%0.6223%0.231SC*.THydrogen-bonded Turntrans-50.5-39.6-177.4-60.30000113.7V73 R74T71-V73 VanDerWaalsContact C-N 3.28Å; T71-V73 PolarHBondContact O-N 3.36Å; T71-R74 PolarHBondContact OG1-NH2 3.25Å
72S90.8Very high96.3Very high108 Ų10840.6 Ų40.676%0.75525%0.251SS*.THydrogen-bonded Turntrans-66.6-23-18051.60000114.6Q70Q70-S72 PolarHBondContact O-N 3.42Å; Q70-S72 VanDerWaalsContact O-N 3.09Å
73V91.6Very high96.2Very high33 Ų3343.5 Ų43.520%0.228%0.281CS..THydrogen-bonded Turntrans-108.2-10.3-175.5-58.90000113.6G68 Q70 T71 A75 S76G68-V73 WeakPolarHBondContact O-CG2 3.17Å; Q70-V73 HydrophobicContact CB-CG2 4.15Å; Q70-V73 WeakPolarHBondContact O-CG2 3.29Å; Q70-V73 PolarHBondContact O-N 3.16Å; T71-V73 VanDerWaalsContact C-N 3.28Å; T71-V73 PolarHBondContact O-N 3.36Å; V73-A75 PolarHBondContact O-N 3.06Å; V73-A75 VanDerWaalsContact O-N 3.16Å; V73-S76 PolarHBondContact O-N 3Å; V73-S76 PolarHBondContact O-OG 2.94Å
74R94.5Very high96.2Very high24 Ų2442.4 Ų42.49%0.09128%0.275CS..G310 helixtrans-59-30179.2-75.9-168.4-87.8152.1-7.5113.5Q70 T71 S76 W77 E105Q70-R74 PolarHBondContact O-N 3.43Å; T71-R74 PolarHBondContact OG1-NH2 3.25Å; R74-S76 PolarHBondContact O-N 2.84Å; R74-W77 HydrophobicContact CB-CD2 4.48Å; R74-W77 HydrophobicContact CG-CD2 4.43Å; R74-W77 HydrophobicContact CG-CH2 4.16Å; R74-W77 HydrophobicContact CG-CZ2 3.63Å; R74-W77 WeakPolarHBondContact O-CB 3.36Å; R74-W77 VanDerWaalsContact O-CG 3.26Å; R74-W77 PolarHBondContact O-N 3.48Å; R74-E105 IonicContact CZ-OE1 3.56Å; R74-E105 IonicContact NH1-OE1 3.72Å; R74-E105 PolarHBondContact NH1-OE1 3.31Å
75A93.6Very high96.2Very high86 Ų8644 Ų4471%0.71128%0.283SS*.G310 helixtrans-63.1-25.7175.900000113.3V73 W77V73-A75 PolarHBondContact O-N 3.06Å; V73-A75 VanDerWaalsContact O-N 3.16Å; A75-W77 VanDerWaalsContact C-N 3.35Å
76S94Very high96.2Very high48 Ų4840.7 Ų40.734%0.33627%0.271SS..G310 helixtrans-86.3-2.1179.467.70000113.7V73 R74 T78 T79V73-S76 PolarHBondContact O-N 3Å; V73-S76 PolarHBondContact O-OG 2.94Å; R74-S76 PolarHBondContact O-N 2.84Å; S76-T78 PolarHBondContact O-N 2.63Å; S76-T79 WeakPolarHBondContact O-CB 3.49Å; S76-T79 WeakPolarHBondContact O-CG2 3.39Å; S76-T79 PolarHBondContact O-N 3.45Å; S76-T79 VanDerWaalsContact O-N 3.14Å; S76-T79 PolarHBondContact O-OG1 3.26Å
77W97.8Very high96.2Very high4 Ų440.6 Ų40.62%0.01527%0.27CS..G310 helixtrans-56-37178.9-73.33.6000112.5L22 G23 I67 G68 R74 A75 T79 Y80 F81 E105L22-W77 HydrophobicContact CB-CE3 4.25Å; L22-W77 HydrophobicContact CB-CH2 4.13Å; L22-W77 HydrophobicContact CB-CZ2 4.46Å; L22-W77 HydrophobicContact CB-CZ3 3.98Å; L22-W77 HydrophobicContact CD1-CD2 4.42Å; L22-W77 HydrophobicContact CD1-CE3 3.95Å; L22-W77 HydrophobicContact CD1-CZ3 4.36Å; L22-W77 HydrophobicContact CD2-CB 4.32Å; L22-W77 HydrophobicContact CD2-CD2 3.68Å; L22-W77 HydrophobicContact CD2-CE3 4.01Å; L22-W77 HydrophobicContact CD2-CG 3.84Å; L22-W77 HydrophobicContact CD2-CZ2 4.48Å; L22-W77 HydrophobicContact CG-CD2 4.47Å; L22-W77 HydrophobicContact CG-CE3 4.32Å; G23-W77 VanDerWaalsContact N-CH2 3.29Å; G23-W77 WeakPolarHBondContact O-CZ2 3.34Å; I67-W77 VanDerWaalsContact CG2-CD1 3.44Å; I67-W77 HydrophobicContact CG2-CG 4.41Å; G68-W77 PolarHBondContact O-NE1 3.12Å; R74-W77 HydrophobicContact CB-CD2 4.48Å; R74-W77 HydrophobicContact CG-CD2 4.43Å; R74-W77 HydrophobicContact CG-CH2 4.16Å; R74-W77 HydrophobicContact CG-CZ2 3.63Å; R74-W77 WeakPolarHBondContact O-CB 3.36Å; R74-W77 VanDerWaalsContact O-CG 3.26Å; R74-W77 PolarHBondContact O-N 3.48Å; A75-W77 VanDerWaalsContact C-N 3.35Å; W77-T79 PolarHBondContact O-N 3.49Å; W77-T79 VanDerWaalsContact O-N 3.13Å; W77-Y80 PolarHBondContact O-N 2.93Å; W77-F81 VanDerWaalsContact C-CE1 3.43Å; W77-F81 HydrophobicContact CB-CE1 3.87Å; W77-F81 HydrophobicContact CB-CZ 4.05Å; W77-F81 WeakPolarHBondContact O-CD1 3.48Å; W77-F81 WeakPolarHBondContact O-CE1 3.48Å; W77-E105 HydrophobicContact CH2-CB 4.42Å; W77-E105 HydrophobicContact CH2-CG 4.18Å; W77-E105 HydrophobicContact CZ3-CB 3.86Å; W77-E105 HydrophobicContact CZ3-CG 3.93Å
78T97.7Very high96.2Very high81 Ų8140.5 Ų40.550%0.49727%0.27SS..G310 helixtrans-56.3-30.6-179.954.30000113.1S76 Y80 F81S76-T78 PolarHBondContact O-N 2.63Å; T78-Y80 PolarHBondContact O-N 3.43Å; T78-Y80 VanDerWaalsContact O-N 3.09Å; T78-F81 HydrophobicContact CG2-CD2 4.23Å; T78-F81 HydrophobicContact CG2-CE2 3.72Å; T78-F81 HydrophobicContact CG2-CZ 4.16Å; T78-F81 PolarHBondContact O-N 3.23Å; T78-F81 VanDerWaalsContact O-N 3.13Å
79T97.1Very high96.4Very high99 Ų9940.5 Ų40.561%0.60727%0.27SS*.G310 helixtrans-62.4-18.6177.967.80000113.3S76 W77S76-T79 WeakPolarHBondContact O-CB 3.49Å; S76-T79 WeakPolarHBondContact O-CG2 3.39Å; S76-T79 PolarHBondContact O-N 3.45Å; S76-T79 VanDerWaalsContact O-N 3.14Å; S76-T79 PolarHBondContact O-OG1 3.26Å; W77-T79 PolarHBondContact O-N 3.49Å; W77-T79 VanDerWaalsContact O-N 3.13Å
80Y98Very high96.5Very high42 Ų4240.5 Ų40.517%0.16527%0.269CS..G310 helixtrans-100.2-8.5-179.9-60.6-88.6000113.6K18 S50 W65 I67 W77 T78 A82 S84K18-Y80 VanDerWaalsContact CE-O 3.27Å; K18-Y80 WeakPolarHBondContact CE-O 3.38Å; K18-Y80 PolarHBondContact NZ-O 2.83Å; S50-Y80 WeakPolarHBondContact CB-OH 3.44Å; S50-Y80 WeakPolarHBondContact OG-CE1 3.31Å; S50-Y80 PolarHBondContact OG-OH 3.28Å; W65-Y80 HydrophobicContact CD2-CD1 4.2Å; W65-Y80 AromaticContact CE3-CD1 3.54Å; W65-Y80 HydrophobicContact CE3-CD1 3.54Å; W65-Y80 AromaticContact CE3-CE1 3.53Å; W65-Y80 HydrophobicContact CE3-CE1 3.53Å; W65-Y80 HydrophobicContact CZ3-CD1 4.06Å; W65-Y80 AromaticContact CZ3-CE1 3.78Å; W65-Y80 HydrophobicContact CZ3-CE1 3.78Å; I67-Y80 HydrophobicContact CD1-CD1 4.07Å; I67-Y80 HydrophobicContact CD1-CD2 3.67Å; I67-Y80 HydrophobicContact CD1-CE2 4.41Å; I67-Y80 HydrophobicContact CD1-CG 3.47Å; I67-Y80 VanDerWaalsContact CD1-CG 3.47Å; I67-Y80 HydrophobicContact CG1-CD1 4.32Å; I67-Y80 HydrophobicContact CG1-CD2 4.08Å; I67-Y80 HydrophobicContact CG1-CE2 4.35Å; I67-Y80 HydrophobicContact CG1-CG 4.07Å; I67-Y80 HydrophobicContact CG2-CD2 4.22Å; I67-Y80 HydrophobicContact CG2-CE2 4.12Å; W77-Y80 PolarHBondContact O-N 2.93Å; T78-Y80 PolarHBondContact O-N 3.43Å; T78-Y80 VanDerWaalsContact O-N 3.09Å; Y80-A82 PolarHBondContact O-N 2.82Å; Y80-S84 PolarHBondContact O-OG 2.91Å
81F98.5Very high96.7Very high8 Ų838.4 Ų38.44%0.03526%0.26CS..THydrogen-bonded Turntrans-68.5-40.5-169.2-68.7-2.5000113.3I20 L22 W77 T78 G83 S84 L109 A112 E114 L115I20-F81 HydrophobicContact CD1-CD1 3.58Å; I20-F81 HydrophobicContact CD1-CE1 3.99Å; L22-F81 HydrophobicContact CD1-CE1 3.94Å; W77-F81 VanDerWaalsContact C-CE1 3.43Å; W77-F81 HydrophobicContact CB-CE1 3.87Å; W77-F81 HydrophobicContact CB-CZ 4.05Å; W77-F81 WeakPolarHBondContact O-CD1 3.48Å; W77-F81 WeakPolarHBondContact O-CE1 3.48Å; T78-F81 HydrophobicContact CG2-CD2 4.23Å; T78-F81 HydrophobicContact CG2-CE2 3.72Å; T78-F81 HydrophobicContact CG2-CZ 4.16Å; T78-F81 PolarHBondContact O-N 3.23Å; T78-F81 VanDerWaalsContact O-N 3.13Å; F81-G83 PolarHBondContact O-N 3.08Å; F81-S84 VanDerWaalsContact O-CB 3.29Å; F81-S84 WeakPolarHBondContact O-CB 3.18Å; F81-S84 PolarHBondContact O-N 3.22Å; F81-S84 PolarHBondContact O-OG 3.11Å; F81-L109 HydrophobicContact CE1-CD2 3.76Å; F81-L109 HydrophobicContact CE2-CD2 4.12Å; F81-L109 HydrophobicContact CZ-CD2 3.35Å; F81-A112 HydrophobicContact CD2-CB 3.78Å; F81-A112 HydrophobicContact CE2-CB 3.83Å; F81-E114 HydrophobicContact CB-CB 3.78Å; F81-L115 HydrophobicContact CB-CD1 4.44Å; F81-L115 HydrophobicContact CB-CD2 3.8Å; F81-L115 HydrophobicContact CB-CG 3.92Å; F81-L115 HydrophobicContact CD1-CD1 3.97Å; F81-L115 HydrophobicContact CD1-CD2 4.32Å; F81-L115 HydrophobicContact CD1-CG 4.36Å; F81-L115 HydrophobicContact CD2-CD1 3.76Å; F81-L115 HydrophobicContact CD2-CG 3.93Å; F81-L115 HydrophobicContact CE1-CD1 4.12Å; F81-L115 HydrophobicContact CE2-CD1 3.91Å; F81-L115 HydrophobicContact CG-CD1 3.8Å; F81-L115 HydrophobicContact CG-CD2 4.02Å; F81-L115 HydrophobicContact CG-CG 3.83Å; F81-L115 HydrophobicContact CZ-CD1 4.11Å
82A97.7Very high96.9Very high64 Ų6434.1 Ų34.153%0.52923%0.233SC..THydrogen-bonded Turntrans-51.5124.3-174.900000112.3K18 Y80 S84K18-A82 PolarHBondContact NZ-O 3.25Å; Y80-A82 PolarHBondContact O-N 2.82Å; A82-S84 VanDerWaalsContact C-N 3.31Å; A82-S84 PolarHBondContact O-N 2.98Å
83G95.7Very high97.3Very high61 Ų6129 Ų2963%0.62920%0.197SC*.THydrogen-bonded Turntrans75.39.7177.800000115.6F81 D85F81-G83 PolarHBondContact O-N 3.08Å; G83-D85 PolarHBondContact O-N 3.11Å
84S98.3Very high97.7Very high8 Ų830.1 Ų30.16%0.05620%0.204CC..  trans-71122.5176.9-53.90000110.7K18 I20 Y80 F81 A82 S118K18-S84 WeakPolarHBondContact CE-OG 3.38Å; I20-S84 WeakPolarHBondContact CG2-OG 3.32Å; Y80-S84 PolarHBondContact O-OG 2.91Å; F81-S84 VanDerWaalsContact O-CB 3.29Å; F81-S84 WeakPolarHBondContact O-CB 3.18Å; F81-S84 PolarHBondContact O-N 3.22Å; F81-S84 PolarHBondContact O-OG 3.11Å; A82-S84 VanDerWaalsContact C-N 3.31Å; A82-S84 PolarHBondContact O-N 2.98Å; S84-S118 PolarHBondContact O-OG 3.2Å
85D97.9Very high97.8Very high33 Ų3330.1 Ų30.118%0.17621%0.206CC..SBendtrans-78.3-35174.6-61.9-77.5000111.1R15 Y17 K18 G83 S118 K119R15-D85 IonicContact CZ-OD1 2.83Å; R15-D85 IonicContact NH2-OD1 2.69Å; R15-D85 PolarHBondContact NH2-OD1 3.06Å; Y17-D85 WeakPolarHBondContact CA-OD2 3.36Å; Y17-D85 HydrophobicContact CD1-CB 4.26Å; K18-D85 PolarHBondContact N-OD2 3.12Å; K18-D85 PolarHBondContact O-N 3.33Å; G83-D85 PolarHBondContact O-N 3.11Å; D85-S118 WeakPolarHBondContact O-CA 3.49Å; D85-K119 PolarHBondContact O-N 2.57Å; D85-K119 VanDerWaalsContact O-N 3.11Å
86F98.7Very high98.1Very high4 Ų431.8 Ų31.82%0.01819%0.194CC..EExtended strand (participates in β ladder)trans-134.7145-177.8-60.7-83.7000111.6Y17 K18 V19 I20 F62 K119 I172 Q175 I176Y17-F86 HydrophobicContact CD1-CE2 4.17Å; Y17-F86 HydrophobicContact CG-CE2 4.41Å; K18-F86 PolarHBondContact O-N 2.88Å; V19-F86 WeakPolarHBondContact CA-O 3.47Å; V19-F86 HydrophobicContact CB-CB 4.47Å; V19-F86 HydrophobicContact CG1-CB 4.09Å; V19-F86 HydrophobicContact CG2-CB 4.13Å; V19-F86 HydrophobicContact CG2-CD2 4.33Å; I20-F86 PolarHBondContact N-O 3.31Å; I20-F86 VanDerWaalsContact N-O 3.1Å; F62-F86 HydrophobicContact CE1-CD2 4.35Å; F62-F86 HydrophobicContact CE1-CE2 4.26Å; F86-K119 WeakPolarHBondContact CA-O 3.44Å; F86-K119 HydrophobicContact CD1-CB 3.73Å; F86-K119 HydrophobicContact CD1-CD 4.47Å; F86-K119 HydrophobicContact CE1-CB 3.82Å; F86-K119 HydrophobicContact CE1-CD 3.99Å; F86-K119 HydrophobicContact CE1-CG 4.19Å; F86-I172 HydrophobicContact CD1-CB 4.46Å; F86-I172 HydrophobicContact CD1-CG1 4.05Å; F86-I172 HydrophobicContact CD1-CG2 3.97Å; F86-I172 HydrophobicContact CD2-CG2 4.05Å; F86-I172 HydrophobicContact CE1-CB 4.38Å; F86-I172 HydrophobicContact CE1-CG1 4.4Å; F86-I172 HydrophobicContact CE1-CG2 3.82Å; F86-I172 HydrophobicContact CE2-CG2 3.9Å; F86-I172 HydrophobicContact CG-CG2 4.09Å; F86-I172 HydrophobicContact CZ-CG2 3.79Å; F86-Q175 HydrophobicContact CE1-CB 3.81Å; F86-Q175 HydrophobicContact CE1-CG 4.49Å; F86-Q175 HydrophobicContact CZ-CB 4.25Å; F86-I176 HydrophobicContact CE2-CD1 3.62Å; F86-I176 HydrophobicContact CZ-CD1 3.56Å; F86-I176 HydrophobicContact CZ-CG1 4.49Å
87V98.8Very high98.3Very high0 Ų037.2 Ų37.20%021%0.214CC..EExtended strand (participates in β ladder)trans-116123.8168.1-178.20000107.6I20 L22 L109 L115 K119 M120 L121I20-V87 HydrophobicContact CD1-CG1 4.47Å; I20-V87 HydrophobicContact CD1-CG2 3.97Å; I20-V87 HydrophobicContact CG1-CB 4.26Å; I20-V87 HydrophobicContact CG1-CG1 4.15Å; I20-V87 HydrophobicContact CG1-CG2 3.88Å; L22-V87 HydrophobicContact CD1-CG1 4.1Å; V87-L109 HydrophobicContact CG1-CD1 4.17Å; V87-L115 HydrophobicContact CG2-CD1 4.07Å; V87-L115 HydrophobicContact CG2-CD2 3.86Å; V87-L115 HydrophobicContact CG2-CG 4.48Å; V87-K119 PolarHBondContact N-O 2.99Å; V87-M120 HydrophobicContact CB-CE 3.85Å; V87-M120 HydrophobicContact CB-SD 3.59Å; V87-M120 VanDerWaalsContact CB-SD 3.59Å; V87-M120 HydrophobicContact CG1-CE 3.75Å; V87-M120 HydrophobicContact CG1-SD 4.19Å; V87-M120 HydrophobicContact CG2-CE 4.39Å; V87-M120 HydrophobicContact CG2-SD 3.82Å; V87-M120 WeakPolarHBondContact O-CA 3.49Å; V87-L121 PolarHBondContact O-N 3.36Å
88I98.9Very high98.3Very high0 Ų040 Ų400%022%0.224CC..EExtended strand (participates in β ladder)trans-98.5113.3167.8-63.5179.2000107.3V19 I20 I21 L22 V90 L121 F123 I172V19-I88 HydrophobicContact CG1-CD1 3.66Å; V19-I88 HydrophobicContact CG1-CG1 3.7Å; I20-I88 PolarHBondContact O-N 3.22Å; I21-I88 CarbonylContact C-O 3.57Å; I21-I88 WeakPolarHBondContact CA-O 2.93Å; I21-I88 HydrophobicContact CG1-CB 4.26Å; I21-I88 HydrophobicContact CG1-CD1 4.36Å; I21-I88 HydrophobicContact CG2-CB 4.37Å; I21-I88 HydrophobicContact CG2-CG2 4.17Å; L22-I88 PolarHBondContact N-O 2.64Å; I88-V90 HydrophobicContact CG2-CG2 3.99Å; I88-L121 CarbonylContact C-O 3.53Å; I88-L121 VanDerWaalsContact CA-O 3.27Å; I88-L121 WeakPolarHBondContact CA-O 3.38Å; I88-L121 HydrophobicContact CD1-CD2 4.4Å; I88-L121 HydrophobicContact CG1-CB 4.25Å; I88-L121 HydrophobicContact CG1-CD2 4.26Å; I88-F123 HydrophobicContact CD1-CE2 4.34Å; I88-F123 HydrophobicContact CG2-CD2 3.5Å; I88-F123 HydrophobicContact CG2-CE2 3.95Å; I88-I172 HydrophobicContact CD1-CD1 4.06Å; I88-I172 HydrophobicContact CG1-CD1 4.23Å
89L98.9Very high98.4Very high1 Ų136.5 Ų36.51%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-98.1117.1170.4-179.165.1000109.2L22 T102 L106 L109 L121 I122 F123L22-L89 HydrophobicContact CB-CD1 4.46Å; L22-L89 WeakPolarHBondContact O-CA 3.4Å; L89-T102 HydrophobicContact CD1-CG2 4.5Å; L89-T102 HydrophobicContact CD2-CG2 4.16Å; L89-T102 HydrophobicContact CG-CG2 4.47Å; L89-L106 HydrophobicContact CD2-CB 3.87Å; L89-L106 HydrophobicContact CD2-CD1 3.92Å; L89-L106 HydrophobicContact CD2-CD2 4.48Å; L89-L106 HydrophobicContact CD2-CG 4.29Å; L89-L109 HydrophobicContact CD1-CD1 4.35Å; L89-L121 PolarHBondContact N-O 3.37Å; L89-I122 HydrophobicContact CB-CG1 4.49Å; L89-I122 CarbonylContact O-C 3.56Å; L89-I122 VanDerWaalsContact O-CA 3.31Å; L89-I122 WeakPolarHBondContact O-CA 3.4Å; L89-F123 PolarHBondContact O-N 2.91Å
90V99Very high98.4Very high0 Ų038.5 Ų38.50%020%0.2CC..EExtended strand (participates in β ladder)trans-96.1120.4178.5-1710000109.7I21 L22 A27 K29 I32 I88 N125I21-V90 HydrophobicContact CG2-CG2 3.79Å; L22-V90 PolarHBondContact O-N 3.27Å; A27-V90 HydrophobicContact CB-CB 4.31Å; A27-V90 HydrophobicContact CB-CG1 4.04Å; A27-V90 VanDerWaalsContact O-CG1 3.3Å; A27-V90 WeakPolarHBondContact O-CG1 3.42Å; K29-V90 HydrophobicContact CB-CG2 4.47Å; K29-V90 HydrophobicContact CG-CB 3.85Å; K29-V90 HydrophobicContact CG-CG2 3.79Å; I32-V90 HydrophobicContact CD1-CG1 3.73Å; I32-V90 HydrophobicContact CD1-CG2 3.92Å; I88-V90 HydrophobicContact CG2-CG2 3.99Å; V90-N125 HydrophobicContact CG1-CB 3.89Å
91V98.9Very high98.5Very high1 Ų137.9 Ų37.91%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-104.2129.1176.8-173.40000108.1S93 L99 T102 I122 F123 N125 I138 L142V91-S93 PolarHBondContact O-N 2.99Å; V91-L99 HydrophobicContact CG1-CD1 3.7Å; V91-T102 HydrophobicContact CG2-CG2 3.98Å; V91-I122 HydrophobicContact CG2-CG2 3.58Å; V91-F123 PolarHBondContact N-O 3.27Å; V91-N125 WeakPolarHBondContact O-CB 3.19Å; V91-N125 PolarHBondContact O-N 2.95Å; V91-I138 HydrophobicContact CG1-CD1 4.12Å; V91-I138 HydrophobicContact CG1-CG1 4.32Å; V91-I138 HydrophobicContact CG1-CG2 4.15Å; V91-I138 HydrophobicContact CG2-CG2 4.34Å; V91-L142 HydrophobicContact CG2-CD1 3.92Å
92D98.8Very high98.5Very high11 Ų1137.9 Ų37.96%0.05920%0.2CC..EExtended strand (participates in β ladder)trans-77.6108.7168.3-171.3-25.5000109.3A27 T94 D95 K126 M133A27-D92 HydrophobicContact CB-CB 4.39Å; D92-T94 PolarHBondContact O-N 3.25Å; D92-T94 WeakPolarHBondContact OD1-CA 3.5Å; D92-T94 WeakPolarHBondContact OD1-CB 3.5Å; D92-T94 PolarHBondContact OD1-N 3Å; D92-T94 PolarHBondContact OD1-OG1 3.45Å; D92-D95 HydrophobicContact CB-CB 3.77Å; D92-D95 PolarHBondContact O-N 2.82Å; D92-D95 VanDerWaalsContact O-N 3.17Å; D92-K126 WeakPolarHBondContact OD1-CD 3.36Å; D92-K126 IonicContact OD1-NZ 3.75Å; D92-K126 WeakPolarHBondContact OD2-CE 3.5Å; D92-K126 IonicContact OD2-NZ 3.24Å; D92-K126 PolarHBondContact OD2-NZ 3.1Å; D92-M133 WeakPolarHBondContact O-CE 3.27Å
93S98.9Very high98.5Very high0 Ų038.4 Ų38.40%019%0.191CC..THydrogen-bonded Turntrans-65.9-15.6179.8-620000113.2V91 N125 Q127 C132 M133 I138V91-S93 PolarHBondContact O-N 2.99Å; S93-N125 WeakPolarHBondContact CB-O 3.14Å; S93-N125 PolarHBondContact N-O 2.86Å; S93-N125 PolarHBondContact OG-O 3.23Å; S93-Q127 PolarHBondContact OG-NE2 3.12Å; S93-C132 CarbonylContact O-C 3.5Å; S93-C132 WeakPolarHBondContact O-CA 3.49Å; S93-M133 WeakPolarHBondContact O-CB 3.37Å; S93-M133 VanDerWaalsContact O-CE 3.32Å; S93-M133 WeakPolarHBondContact O-CE 3.37Å; S93-M133 WeakPolarHBondContact O-CG 3.21Å; S93-M133 PolarHBondContact O-N 3.3Å; S93-I138 VanDerWaalsContact OG-CD1 3.32Å; S93-I138 WeakPolarHBondContact OG-CD1 3.33Å
94T98.8Very high98.6Very high58 Ų5840.2 Ų40.236%0.35618%0.183SC..THydrogen-bonded Turntrans-88.1-16.2178710000112.4D92 R96 K126 V129 C132D92-T94 PolarHBondContact O-N 3.25Å; D92-T94 WeakPolarHBondContact OD1-CA 3.5Å; D92-T94 WeakPolarHBondContact OD1-CB 3.5Å; D92-T94 PolarHBondContact OD1-N 3Å; D92-T94 PolarHBondContact OD1-OG1 3.45Å; T94-R96 PolarHBondContact O-N 2.9Å; T94-K126 HydrophobicContact CG2-CB 4.04Å; T94-K126 HydrophobicContact CG2-CD 4.41Å; T94-V129 HydrophobicContact CG2-CB 3.56Å; T94-V129 HydrophobicContact CG2-CG1 3.65Å; T94-V129 HydrophobicContact CG2-CG2 3.9Å; T94-C132 HydrophobicContact CG2-CB 4.14Å
95D98.6Very high98.6Very high24 Ų2440.2 Ų40.213%0.12818%0.182CC..  trans-98.369.5-170.8-164-17.7000112.3D92 E97 R98 L99D92-D95 HydrophobicContact CB-CB 3.77Å; D92-D95 PolarHBondContact O-N 2.82Å; D92-D95 VanDerWaalsContact O-N 3.17Å; D95-E97 PolarHBondContact O-N 2.8Å; D95-R98 WeakPolarHBondContact OD1-CB 3.49Å; D95-R98 WeakPolarHBondContact OD1-CG 3.41Å; D95-R98 PolarHBondContact OD1-N 2.86Å; D95-R98 IonicContact OD1-NE 3.09Å; D95-R98 IonicContact OD2-CZ 2.85Å; D95-R98 IonicContact OD2-NE 3.77Å; D95-R98 PolarHBondContact OD2-NE 2.98Å; D95-R98 IonicContact OD2-NH2 2.67Å; D95-R98 PolarHBondContact OD2-NH2 2.9Å; D95-L99 PolarHBondContact O-N 2.83Å
96R98.5Very high98.7Very high121 Ų12138.8 Ų38.846%0.45717%0.174SC..THydrogen-bonded Turntrans-59.7-37.1175.7-72.8164.6-179.8-77.3-8111.7T94 R98 L99 M133 E137T94-R96 PolarHBondContact O-N 2.9Å; R96-R98 PolarHBondContact O-N 3.2Å; R96-L99 PolarHBondContact O-N 2.93Å; R96-M133 HydrophobicContact CB-SD 4.32Å; R96-M133 HydrophobicContact CG-CE 4.04Å; R96-M133 HydrophobicContact CG-CG 3.55Å; R96-M133 HydrophobicContact CG-SD 3.5Å; R96-M133 WeakPolarHBondContact CG-SD 3.46Å; R96-M133 VanDerWaalsContact CZ-CG 3.41Å; R96-E137 IonicContact CZ-OE1 3.54Å; R96-E137 IonicContact CZ-OE2 3.4Å; R96-E137 IonicContact NH1-OE1 2.59Å; R96-E137 PolarHBondContact NH1-OE1 2.82Å; R96-E137 IonicContact NH1-OE2 3.23Å; R96-E137 PolarHBondContact NH1-OE2 3.37Å; R96-E137 IonicContact NH2-OE1 3.71Å; R96-E137 IonicContact NH2-OE2 2.78Å; R96-E137 PolarHBondContact NH2-OE2 3.09Å
97E98.4Very high98.7Very high162 Ų16241.9 Ų41.976%0.75720%0.195SC*.THydrogen-bonded Turntrans-62.1-42.5-175.8-173.2-177.3170.200111.7D95 Y100D95-E97 PolarHBondContact O-N 2.8Å; E97-Y100 WeakPolarHBondContact O-CD1 3.31Å; E97-Y100 WeakPolarHBondContact O-CE1 3.27Å
98R98.5Very high98.6Very high61 Ų6147.2 Ų47.223%0.2322%0.219CC..THydrogen-bonded Turntrans-98.25.8-176.8-59.1-171.3-64164.26114L24 D25 D95 R96 Y100 L101 T102L24-R98 HydrophobicContact CD1-CB 3.78Å; D25-R98 PolarHBondContact O-NH2 3.32Å; D25-R98 IonicContact OD1-NH1 2.66Å; D25-R98 PolarHBondContact OD1-NH1 3.03Å; D25-R98 IonicContact OD2-CZ 2.99Å; D25-R98 IonicContact OD2-NH1 3.84Å; D25-R98 PolarHBondContact OD2-NH1 2.95Å; D25-R98 IonicContact OD2-NH2 2.74Å; D95-R98 WeakPolarHBondContact OD1-CB 3.49Å; D95-R98 WeakPolarHBondContact OD1-CG 3.41Å; D95-R98 PolarHBondContact OD1-N 2.86Å; D95-R98 IonicContact OD1-NE 3.09Å; D95-R98 IonicContact OD2-CZ 2.85Å; D95-R98 IonicContact OD2-NE 3.77Å; D95-R98 PolarHBondContact OD2-NE 2.98Å; D95-R98 IonicContact OD2-NH2 2.67Å; D95-R98 PolarHBondContact OD2-NH2 2.9Å; R96-R98 PolarHBondContact O-N 3.2Å; R98-Y100 PolarHBondContact O-N 3.28Å; R98-L101 HydrophobicContact CB-CD1 4.14Å; R98-L101 HydrophobicContact CG-CD1 4.24Å; R98-L101 WeakPolarHBondContact O-CB 3.36Å; R98-L101 PolarHBondContact O-N 3.16Å; R98-T102 PolarHBondContact O-N 3.35Å
99L98.7Very high98.6Very high9 Ų947.2 Ų47.25%0.04722%0.219CC..Hα-helixtrans-58-33.8-179.8-172.566.2000113V91 D95 R96 L101 T102 K103 M133 N141 L142V91-L99 HydrophobicContact CG1-CD1 3.7Å; D95-L99 PolarHBondContact O-N 2.83Å; R96-L99 PolarHBondContact O-N 2.93Å; L99-L101 VanDerWaalsContact C-N 3.27Å; L99-L101 PolarHBondContact O-N 2.99Å; L99-T102 WeakPolarHBondContact O-CB 3.5Å; L99-T102 PolarHBondContact O-N 3.41Å; L99-K103 PolarHBondContact O-N 3.14Å; L99-M133 HydrophobicContact CD1-CE 4.22Å; L99-M133 HydrophobicContact CD2-CE 4.23Å; L99-M133 HydrophobicContact CD2-SD 3.64Å; L99-N141 HydrophobicContact CD2-CB 3.33Å; L99-N141 HydrophobicContact CG-CB 4.27Å; L99-L142 HydrophobicContact CD1-CD2 3.95Å; L99-L142 HydrophobicContact CD1-CG 4.35Å; L99-L142 HydrophobicContact CG-CD2 4.29Å
100Y98.4Very high98.6Very high140 Ų14049.2 Ų49.255%0.54923%0.229SC..Hα-helixtrans-63.4-32.4175.477.5-88000112.6E97 R98 K103 Q104E97-Y100 WeakPolarHBondContact O-CD1 3.31Å; E97-Y100 WeakPolarHBondContact O-CE1 3.27Å; R98-Y100 PolarHBondContact O-N 3.28Å; Y100-K103 WeakPolarHBondContact O-CB 3.36Å; Y100-K103 PolarHBondContact O-N 3.45Å; Y100-Q104 WeakPolarHBondContact O-CG 3.31Å; Y100-Q104 PolarHBondContact O-N 2.99Å
101L98.6Very high98.5Very high29 Ų2954.8 Ų54.815%0.15226%0.263CS..Hα-helixtrans-68.4-41.8174.3-63.5175.5000110.3L24 R98 L99 K103 Q104 E105L24-L101 HydrophobicContact CD1-CB 3.96Å; L24-L101 HydrophobicContact CD2-CB 4.27Å; R98-L101 HydrophobicContact CB-CD1 4.14Å; R98-L101 HydrophobicContact CG-CD1 4.24Å; R98-L101 WeakPolarHBondContact O-CB 3.36Å; R98-L101 PolarHBondContact O-N 3.16Å; L99-L101 VanDerWaalsContact C-N 3.27Å; L99-L101 PolarHBondContact O-N 2.99Å; L101-K103 VanDerWaalsContact C-N 3.27Å; L101-K103 PolarHBondContact O-N 3.44Å; L101-Q104 WeakPolarHBondContact O-CB 3.31Å; L101-Q104 PolarHBondContact O-N 3.33Å; L101-Q104 VanDerWaalsContact O-N 3.15Å; L101-E105 WeakPolarHBondContact O-CG 3.41Å; L101-E105 PolarHBondContact O-N 3.5Å
102T98.7Very high98.4Very high8 Ų855.4 Ų55.45%0.04927%0.268CS..Hα-helixtrans-59.9-39.2174-57.10000111.6L24 L89 V91 R98 L99 E105 L106 L142L24-T102 WeakPolarHBondContact CD1-OG1 3.17Å; L89-T102 HydrophobicContact CD1-CG2 4.5Å; L89-T102 HydrophobicContact CD2-CG2 4.16Å; L89-T102 HydrophobicContact CG-CG2 4.47Å; V91-T102 HydrophobicContact CG2-CG2 3.98Å; R98-T102 PolarHBondContact O-N 3.35Å; L99-T102 WeakPolarHBondContact O-CB 3.5Å; L99-T102 PolarHBondContact O-N 3.41Å; T102-E105 PolarHBondContact O-N 3.38Å; T102-L106 WeakPolarHBondContact O-CB 3.44Å; T102-L106 PolarHBondContact O-N 3.29Å; T102-L142 HydrophobicContact CG2-CD2 4.26Å
103K98.8Very high98.4Very high76 Ų7661.3 Ų61.333%0.3330%0.296SS..Hα-helixtrans-61.7-45.2173-172.5-179.7-170.4158.50112.3L99 Y100 L101 E105 L106 C107 N141 L142L99-K103 PolarHBondContact O-N 3.14Å; Y100-K103 WeakPolarHBondContact O-CB 3.36Å; Y100-K103 PolarHBondContact O-N 3.45Å; L101-K103 VanDerWaalsContact C-N 3.27Å; L101-K103 PolarHBondContact O-N 3.44Å; K103-E105 VanDerWaalsContact C-N 3.31Å; K103-E105 PolarHBondContact O-N 3.37Å; K103-L106 PolarHBondContact O-N 3.47Å; K103-C107 PolarHBondContact O-N 3.34Å; K103-C107 PolarHBondContact O-SG 3.41Å; K103-C107 VanDerWaalsContact O-SG 3.38Å; K103-N141 WeakPolarHBondContact CD-O 3.3Å; K103-N141 WeakPolarHBondContact CE-O 3.3Å; K103-N141 PolarHBondContact NZ-O 3.3Å; K103-L142 HydrophobicContact CB-CD2 3.79Å; K103-L142 HydrophobicContact CG-CD2 4.46Å
104Q98.4Very high98.4Very high98 Ų9866.7 Ų66.746%0.45832%0.321SS..Hα-helixtrans-60.1-42.9176.8-72.2174.2-10.400111.5Y100 L101 C107 K108Y100-Q104 WeakPolarHBondContact O-CG 3.31Å; Y100-Q104 PolarHBondContact O-N 2.99Å; L101-Q104 WeakPolarHBondContact O-CB 3.31Å; L101-Q104 PolarHBondContact O-N 3.33Å; L101-Q104 VanDerWaalsContact O-N 3.15Å; Q104-C107 PolarHBondContact O-N 3.45Å; Q104-K108 WeakPolarHBondContact O-CG 3.44Å; Q104-K108 PolarHBondContact O-N 3.16Å; Q104-K108 VanDerWaalsContact O-N 3.17Å
105E98.4Very high98.3Very high9 Ų963.9 Ų63.94%0.04230%0.304CS..Hα-helixtrans-65.1-44.5175.3-62.6-45.2144.300111.8L24 R74 W77 L101 T102 K103 C107 K108 L109L24-E105 HydrophobicContact CD2-CG 4.42Å; R74-E105 IonicContact CZ-OE1 3.56Å; R74-E105 IonicContact NH1-OE1 3.72Å; R74-E105 PolarHBondContact NH1-OE1 3.31Å; W77-E105 HydrophobicContact CH2-CB 4.42Å; W77-E105 HydrophobicContact CH2-CG 4.18Å; W77-E105 HydrophobicContact CZ3-CB 3.86Å; W77-E105 HydrophobicContact CZ3-CG 3.93Å; L101-E105 WeakPolarHBondContact O-CG 3.41Å; L101-E105 PolarHBondContact O-N 3.5Å; T102-E105 PolarHBondContact O-N 3.38Å; K103-E105 VanDerWaalsContact C-N 3.31Å; K103-E105 PolarHBondContact O-N 3.37Å; E105-C107 VanDerWaalsContact C-N 3.3Å; E105-C107 PolarHBondContact O-N 2.93Å; E105-K108 VanDerWaalsContact CD-NZ 3.27Å; E105-K108 WeakPolarHBondContact O-CB 3.48Å; E105-K108 PolarHBondContact O-N 3.1Å; E105-K108 IonicContact OE1-NZ 2.63Å; E105-K108 PolarHBondContact OE1-NZ 2.95Å; E105-K108 WeakPolarHBondContact OE2-CD 3.31Å; E105-K108 IonicContact OE2-NZ 3.72Å; E105-K108 PolarHBondContact OE2-NZ 3.33Å; E105-L109 WeakPolarHBondContact O-CG 3.47Å; E105-L109 PolarHBondContact O-N 3.39Å
106L98.7Very high98.2Very high2 Ų269 Ų691%0.0132%0.324CS..Hα-helixtrans-55.9-45.1174.817760.3000111.8L89 T102 K103 K108 L109 L110 M120 L142 L144 I147L89-L106 HydrophobicContact CD2-CB 3.87Å; L89-L106 HydrophobicContact CD2-CD1 3.92Å; L89-L106 HydrophobicContact CD2-CD2 4.48Å; L89-L106 HydrophobicContact CD2-CG 4.29Å; T102-L106 WeakPolarHBondContact O-CB 3.44Å; T102-L106 PolarHBondContact O-N 3.29Å; K103-L106 PolarHBondContact O-N 3.47Å; L106-K108 VanDerWaalsContact C-N 3.3Å; L106-K108 PolarHBondContact O-N 3.44Å; L106-L109 WeakPolarHBondContact O-CB 3.37Å; L106-L109 PolarHBondContact O-N 3.16Å; L106-L109 VanDerWaalsContact O-N 3.14Å; L106-L110 HydrophobicContact CD1-CD1 4.1Å; L106-L110 HydrophobicContact CD1-CD2 4.45Å; L106-L110 HydrophobicContact CD1-CG 4.05Å; L106-L110 HydrophobicContact CG-CD1 3.95Å; L106-L110 HydrophobicContact CG-CG 4.37Å; L106-L110 VanDerWaalsContact O-CG 3.29Å; L106-L110 WeakPolarHBondContact O-CG 3.11Å; L106-L110 PolarHBondContact O-N 3.09Å; L106-M120 HydrophobicContact CD1-CE 4.02Å; L106-L142 HydrophobicContact CD2-CB 4.11Å; L106-L142 HydrophobicContact CD2-CD1 4.43Å; L106-L144 HydrophobicContact CD2-CD2 3.54Å; L106-I147 HydrophobicContact CD2-CD1 4.38Å
107C98.3Very high98.1Very high69 Ų6973.9 Ų73.947%0.46634%0.343SS..Hα-helixtrans-57.5-42175.7-740000112.4K103 Q104 E105 L110 V111K103-C107 PolarHBondContact O-N 3.34Å; K103-C107 PolarHBondContact O-SG 3.41Å; K103-C107 VanDerWaalsContact O-SG 3.38Å; Q104-C107 PolarHBondContact O-N 3.45Å; E105-C107 VanDerWaalsContact C-N 3.3Å; E105-C107 PolarHBondContact O-N 2.93Å; C107-L110 PolarHBondContact O-N 2.88Å; C107-V111 WeakPolarHBondContact O-CG2 3.39Å; C107-V111 PolarHBondContact O-N 2.9Å
108K98.1Very high98.1Very high112 Ų11266.2 Ų66.249%0.48731%0.307SS..Hα-helixtrans-64.6-39.6176-65.2171.9-162.7164.60112Q104 E105 L106 V111 A112Q104-K108 WeakPolarHBondContact O-CG 3.44Å; Q104-K108 PolarHBondContact O-N 3.16Å; Q104-K108 VanDerWaalsContact O-N 3.17Å; E105-K108 VanDerWaalsContact CD-NZ 3.27Å; E105-K108 WeakPolarHBondContact O-CB 3.48Å; E105-K108 PolarHBondContact O-N 3.1Å; E105-K108 IonicContact OE1-NZ 2.63Å; E105-K108 PolarHBondContact OE1-NZ 2.95Å; E105-K108 WeakPolarHBondContact OE2-CD 3.31Å; E105-K108 IonicContact OE2-NZ 3.72Å; E105-K108 PolarHBondContact OE2-NZ 3.33Å; L106-K108 VanDerWaalsContact C-N 3.3Å; L106-K108 PolarHBondContact O-N 3.44Å; K108-V111 PolarHBondContact O-N 3.17Å; K108-A112 PolarHBondContact O-N 3.22Å
109L98.5Very high98Very high1 Ų165 Ų651%0.00530%0.304CS..Hα-helixtrans-64.2-41.7178-62.1173.5000111.8L22 F81 V87 L89 E105 L106 V111 A112 L115 M120L22-L109 HydrophobicContact CD1-CD1 3.94Å; L22-L109 HydrophobicContact CD1-CD2 3.43Å; L22-L109 VanDerWaalsContact CD1-CD2 3.43Å; L22-L109 HydrophobicContact CD1-CG 4.34Å; F81-L109 HydrophobicContact CE1-CD2 3.76Å; F81-L109 HydrophobicContact CE2-CD2 4.12Å; F81-L109 HydrophobicContact CZ-CD2 3.35Å; V87-L109 HydrophobicContact CG1-CD1 4.17Å; L89-L109 HydrophobicContact CD1-CD1 4.35Å; E105-L109 WeakPolarHBondContact O-CG 3.47Å; E105-L109 PolarHBondContact O-N 3.39Å; L106-L109 WeakPolarHBondContact O-CB 3.37Å; L106-L109 PolarHBondContact O-N 3.16Å; L106-L109 VanDerWaalsContact O-N 3.14Å; L109-V111 VanDerWaalsContact C-N 3.27Å; L109-V111 PolarHBondContact O-N 2.9Å; L109-A112 PolarHBondContact O-N 3.24Å; L109-L115 HydrophobicContact CB-CD1 4.21Å; L109-L115 HydrophobicContact CD2-CD1 3.8Å; L109-M120 HydrophobicContact CB-CE 4.02Å; L109-M120 HydrophobicContact CD1-CE 4.16Å
110L98.1Very high98Very high43 Ų4364.7 Ų64.723%0.22530%0.302CS..Hα-helixtrans-68.5-22.2-178.4-68.6170.9000113.9L106 C107 M120 I147 H150L106-L110 HydrophobicContact CD1-CD1 4.1Å; L106-L110 HydrophobicContact CD1-CD2 4.45Å; L106-L110 HydrophobicContact CD1-CG 4.05Å; L106-L110 HydrophobicContact CG-CD1 3.95Å; L106-L110 HydrophobicContact CG-CG 4.37Å; L106-L110 VanDerWaalsContact O-CG 3.29Å; L106-L110 WeakPolarHBondContact O-CG 3.11Å; L106-L110 PolarHBondContact O-N 3.09Å; C107-L110 PolarHBondContact O-N 2.88Å; L110-M120 HydrophobicContact CD2-CG 4.41Å; L110-I147 HydrophobicContact CD1-CD1 3.96Å; L110-I147 HydrophobicContact CD1-CG1 3.79Å; L110-I147 HydrophobicContact CD2-CD1 4.21Å; L110-I147 HydrophobicContact CD2-CG1 4.33Å; L110-I147 HydrophobicContact CD2-CG2 3.86Å; L110-H150 HydrophobicContact CD2-CB 4.5Å; L110-H150 PolarHBondContact O-NE2 2.81Å
111V96.9Very high98.1Very high116 Ų11658 Ų5870%0.70328%0.276SS*.THydrogen-bonded Turntrans-103.81.9178.3-550000113.2C107 K108 L109 E113C107-V111 WeakPolarHBondContact O-CG2 3.39Å; C107-V111 PolarHBondContact O-N 2.9Å; K108-V111 PolarHBondContact O-N 3.17Å; L109-V111 VanDerWaalsContact C-N 3.27Å; L109-V111 PolarHBondContact O-N 2.9Å; V111-E113 PolarHBondContact O-N 2.79Å
112A98.2Very high98.1Very high15 Ų1556.7 Ų56.712%0.12427%0.269CS..  trans-75.9118.1177.400000110.2F81 K108 L109 E114 L115 K116F81-A112 HydrophobicContact CD2-CB 3.78Å; F81-A112 HydrophobicContact CE2-CB 3.83Å; K108-A112 PolarHBondContact O-N 3.22Å; L109-A112 PolarHBondContact O-N 3.24Å; A112-E114 PolarHBondContact O-N 3.03Å; A112-L115 HydrophobicContact CB-CB 4.22Å; A112-L115 HydrophobicContact CB-CD1 4.12Å; A112-L115 HydrophobicContact CB-CG 4.15Å; A112-L115 PolarHBondContact O-N 3.09Å; A112-K116 PolarHBondContact O-N 2.82Å
113E97.7Very high98.1Very high135 Ų13556.3 Ų56.363%0.63127%0.267SS*.G310 helixtrans-59.5-34.7-177.5-73.2-63.2151.200112.3V111 L115 K116V111-E113 PolarHBondContact O-N 2.79Å; E113-L115 PolarHBondContact O-N 2.97Å; E113-K116 VanDerWaalsContact O-CB 3.29Å; E113-K116 WeakPolarHBondContact O-CB 3.49Å; E113-K116 PolarHBondContact O-N 2.83Å; E113-K116 IonicContact OE2-NZ 3.62Å
114E98.4Very high98.1Very high112 Ų11252.7 Ų52.752%0.52325%0.251SS..G310 helixtrans-65.2-22.1176.5-59.992.5151.900113.1F81 A112F81-E114 HydrophobicContact CB-CB 3.78Å; A112-E114 PolarHBondContact O-N 3.03Å
115L98.4Very high98.1Very high0 Ų048.1 Ų48.10%023%0.23CC..G310 helixtrans-102.2-1179.9-61.9-179.4000113.4I20 F81 V87 L109 A112 E113 R117 S118 H150I20-L115 HydrophobicContact CD1-CD2 4.06Å; F81-L115 HydrophobicContact CB-CD1 4.44Å; F81-L115 HydrophobicContact CB-CD2 3.8Å; F81-L115 HydrophobicContact CB-CG 3.92Å; F81-L115 HydrophobicContact CD1-CD1 3.97Å; F81-L115 HydrophobicContact CD1-CD2 4.32Å; F81-L115 HydrophobicContact CD1-CG 4.36Å; F81-L115 HydrophobicContact CD2-CD1 3.76Å; F81-L115 HydrophobicContact CD2-CG 3.93Å; F81-L115 HydrophobicContact CE1-CD1 4.12Å; F81-L115 HydrophobicContact CE2-CD1 3.91Å; F81-L115 HydrophobicContact CG-CD1 3.8Å; F81-L115 HydrophobicContact CG-CD2 4.02Å; F81-L115 HydrophobicContact CG-CG 3.83Å; F81-L115 HydrophobicContact CZ-CD1 4.11Å; V87-L115 HydrophobicContact CG2-CD1 4.07Å; V87-L115 HydrophobicContact CG2-CD2 3.86Å; V87-L115 HydrophobicContact CG2-CG 4.48Å; L109-L115 HydrophobicContact CB-CD1 4.21Å; L109-L115 HydrophobicContact CD2-CD1 3.8Å; A112-L115 HydrophobicContact CB-CB 4.22Å; A112-L115 HydrophobicContact CB-CD1 4.12Å; A112-L115 HydrophobicContact CB-CG 4.15Å; A112-L115 PolarHBondContact O-N 3.09Å; E113-L115 PolarHBondContact O-N 2.97Å; L115-R117 PolarHBondContact O-N 2.99Å; L115-S118 WeakPolarHBondContact CA-OG 3.29Å; L115-S118 WeakPolarHBondContact O-CA 3.44Å; L115-S118 VanDerWaalsContact O-CB 3.24Å; L115-S118 WeakPolarHBondContact O-CB 3.41Å; L115-S118 PolarHBondContact O-N 2.85Å; L115-S118 PolarHBondContact O-OG 3.07Å; L115-H150 PolarHBondContact O-CE1 3.39Å
116K96.7Very high98.1Very high130 Ų13049.6 Ų49.657%0.56524%0.236SC*.THydrogen-bonded Turntrans-52.6-25.9-174-175.3171.8-171.4162.90115.4A112 E113A112-K116 PolarHBondContact O-N 2.82Å; E113-K116 VanDerWaalsContact O-CB 3.29Å; E113-K116 WeakPolarHBondContact O-CB 3.49Å; E113-K116 PolarHBondContact O-N 2.83Å; E113-K116 IonicContact OE2-NZ 3.62Å
117R94.9Very high98.1Very high224 Ų22452.2 Ų52.285%0.84525%0.248SC*.THydrogen-bonded Turntrans-105.7-3.6177.9-64.3-174.3176.7-166.9-0.8113.8L115L115-R117 PolarHBondContact O-N 2.99Å
118S98.1Very high98.1Very high2 Ų253.1 Ų53.11%0.01425%0.248CC..  trans-74.9145.8-179.7-480000110.5S84 D85 L115 H150S84-S118 PolarHBondContact O-OG 3.2Å; D85-S118 WeakPolarHBondContact O-CA 3.49Å; L115-S118 WeakPolarHBondContact CA-OG 3.29Å; L115-S118 WeakPolarHBondContact O-CA 3.44Å; L115-S118 VanDerWaalsContact O-CB 3.24Å; L115-S118 WeakPolarHBondContact O-CB 3.41Å; L115-S118 PolarHBondContact O-N 2.85Å; L115-S118 PolarHBondContact O-OG 3.07Å; S118-H150 PolarHBondContact O-ND1 2.74Å
119K98.4Very high98.2Very high36 Ų3650.7 Ų50.716%0.15724%0.243CC..EExtended strand (participates in β ladder)trans-96.4144.9174.9-6383.2169.8163.60110D85 F86 V87 P151 W171 Q175 R178D85-K119 PolarHBondContact O-N 2.57Å; D85-K119 VanDerWaalsContact O-N 3.11Å; F86-K119 WeakPolarHBondContact CA-O 3.44Å; F86-K119 HydrophobicContact CD1-CB 3.73Å; F86-K119 HydrophobicContact CD1-CD 4.47Å; F86-K119 HydrophobicContact CE1-CB 3.82Å; F86-K119 HydrophobicContact CE1-CD 3.99Å; F86-K119 HydrophobicContact CE1-CG 4.19Å; V87-K119 PolarHBondContact N-O 2.99Å; K119-P151 WeakPolarHBondContact CA-O 3.45Å; K119-P151 HydrophobicContact CB-CB 4.4Å; K119-P151 HydrophobicContact CG-CB 3.87Å; K119-P151 HydrophobicContact CG-CG 3.89Å; K119-W171 HydrophobicContact CB-CH2 4.07Å; K119-Q175 HydrophobicContact CG-CB 4.15Å; K119-Q175 HydrophobicContact CG-CG 4.41Å; K119-R178 WeakPolarHBondContact CE-O 3.35Å; K119-R178 PolarHBondContact NZ-O 3.17Å
120M98.7Very high98.1Very high1 Ų156.6 Ų56.61%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-108.5110-170.5-52.9-63.7-68.800111.1V87 L106 L109 L110 I122 H150 P151 W152 H153 W171V87-M120 HydrophobicContact CB-CE 3.85Å; V87-M120 HydrophobicContact CB-SD 3.59Å; V87-M120 VanDerWaalsContact CB-SD 3.59Å; V87-M120 HydrophobicContact CG1-CE 3.75Å; V87-M120 HydrophobicContact CG1-SD 4.19Å; V87-M120 HydrophobicContact CG2-CE 4.39Å; V87-M120 HydrophobicContact CG2-SD 3.82Å; V87-M120 WeakPolarHBondContact O-CA 3.49Å; L106-M120 HydrophobicContact CD1-CE 4.02Å; L109-M120 HydrophobicContact CB-CE 4.02Å; L109-M120 HydrophobicContact CD1-CE 4.16Å; L110-M120 HydrophobicContact CD2-CG 4.41Å; M120-I122 HydrophobicContact CB-CD1 4.29Å; M120-H150 HydrophobicContact CG-CB 3.96Å; M120-P151 PolarHBondContact N-O 2.65Å; M120-W152 HydrophobicContact CB-CB 3.97Å; M120-W152 CarbonylContact O-C 3.48Å; M120-W152 WeakPolarHBondContact O-CA 3.35Å; M120-W152 WeakPolarHBondContact O-CB 3.41Å; M120-H153 PolarHBondContact O-N 3.48Å; M120-W171 WeakPolarHBondContact O-CH2 3.5Å
121L98.9Very high98.1Very high1 Ų157.4 Ų57.41%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-96.7123.5167177.561.9000109.1V87 I88 L89 F123 H153 Q155 G168 W171 I172V87-L121 PolarHBondContact O-N 3.36Å; I88-L121 CarbonylContact C-O 3.53Å; I88-L121 VanDerWaalsContact CA-O 3.27Å; I88-L121 WeakPolarHBondContact CA-O 3.38Å; I88-L121 HydrophobicContact CD1-CD2 4.4Å; I88-L121 HydrophobicContact CG1-CB 4.25Å; I88-L121 HydrophobicContact CG1-CD2 4.26Å; L89-L121 PolarHBondContact N-O 3.37Å; L121-F123 HydrophobicContact CD2-CD2 4.28Å; L121-F123 HydrophobicContact CD2-CE1 4.23Å; L121-F123 HydrophobicContact CD2-CE2 3.65Å; L121-F123 HydrophobicContact CD2-CZ 3.62Å; L121-F123 HydrophobicContact CG-CE2 4.37Å; L121-F123 HydrophobicContact CG-CZ 4.45Å; L121-H153 HydrophobicContact CD1-CB 4.29Å; L121-Q155 HydrophobicContact CD1-CB 4.18Å; L121-G168 WeakPolarHBondContact CD2-O 3.13Å; L121-W171 HydrophobicContact CB-CE3 4.05Å; L121-W171 HydrophobicContact CB-CZ3 3.78Å; L121-W171 HydrophobicContact CD1-CE3 3.93Å; L121-W171 HydrophobicContact CD1-CZ3 4.4Å; L121-W171 HydrophobicContact CG-CE3 4.46Å; L121-I172 HydrophobicContact CB-CD1 4.34Å; L121-I172 HydrophobicContact CB-CG1 4.41Å; L121-I172 HydrophobicContact CD2-CD1 3.6Å; L121-I172 HydrophobicContact CD2-CG1 4.03Å
122I98.9Very high98.2Very high0 Ų053.2 Ų53.20%028%0.278CS..EExtended strand (participates in β ladder)trans-103.4113.3174.7-58.285.3000108.1L89 V91 M120 L144 W152 H153 V154 Q155L89-I122 HydrophobicContact CB-CG1 4.49Å; L89-I122 CarbonylContact O-C 3.56Å; L89-I122 VanDerWaalsContact O-CA 3.31Å; L89-I122 WeakPolarHBondContact O-CA 3.4Å; V91-I122 HydrophobicContact CG2-CG2 3.58Å; M120-I122 HydrophobicContact CB-CD1 4.29Å; I122-L144 HydrophobicContact CD1-CD1 4.37Å; I122-L144 HydrophobicContact CD1-CD2 4.36Å; I122-L144 HydrophobicContact CG1-CD1 4.41Å; I122-L144 HydrophobicContact CG1-CD2 4.37Å; I122-W152 HydrophobicContact CD1-CB 4.27Å; I122-W152 HydrophobicContact CD1-CE3 4.42Å; I122-H153 WeakPolarHBondContact CD1-O 3.4Å; I122-H153 PolarHBondContact N-O 3.34Å; I122-V154 HydrophobicContact CB-CB 4.28Å; I122-V154 HydrophobicContact CB-CG2 4.15Å; I122-V154 HydrophobicContact CG2-CG2 4.11Å; I122-V154 CarbonylContact O-C 3.59Å; I122-V154 VanDerWaalsContact O-CA 3.31Å; I122-V154 WeakPolarHBondContact O-CA 3.4Å; I122-Q155 PolarHBondContact O-N 3.42Å
123F99Very high98.2Very high0 Ų052.6 Ų52.60%027%0.273CS..EExtended strand (participates in β ladder)trans-87.3118.7168.7-82.9-54.6000109.7I32 F36 I88 L89 V91 L121 N125 Q155 C157 L165I32-F123 HydrophobicContact CD1-CB 4.28Å; I32-F123 HydrophobicContact CD1-CD2 4.12Å; I32-F123 HydrophobicContact CD1-CG 4.35Å; I32-F123 HydrophobicContact CG2-CD2 4.45Å; I32-F123 HydrophobicContact CG2-CE2 4.29Å; F36-F123 HydrophobicContact CE2-CE2 4.34Å; F36-F123 AromaticContact CZ-CE2 3.93Å; F36-F123 HydrophobicContact CZ-CE2 3.93Å; F36-F123 AromaticContact CZ-CZ 3.95Å; F36-F123 HydrophobicContact CZ-CZ 3.95Å; I88-F123 HydrophobicContact CD1-CE2 4.34Å; I88-F123 HydrophobicContact CG2-CD2 3.5Å; I88-F123 HydrophobicContact CG2-CE2 3.95Å; L89-F123 PolarHBondContact O-N 2.91Å; V91-F123 PolarHBondContact N-O 3.27Å; L121-F123 HydrophobicContact CD2-CD2 4.28Å; L121-F123 HydrophobicContact CD2-CE1 4.23Å; L121-F123 HydrophobicContact CD2-CE2 3.65Å; L121-F123 HydrophobicContact CD2-CZ 3.62Å; L121-F123 HydrophobicContact CG-CE2 4.37Å; L121-F123 HydrophobicContact CG-CZ 4.45Å; F123-N125 PolarHBondContact O-N 3.31Å; F123-Q155 WeakPolarHBondContact CA-O 3.49Å; F123-Q155 HydrophobicContact CD1-CB 3.87Å; F123-Q155 HydrophobicContact CD1-CG 4.02Å; F123-Q155 HydrophobicContact CE1-CB 3.94Å; F123-Q155 HydrophobicContact CE1-CG 3.75Å; F123-C157 HydrophobicContact CD1-CB 3.93Å; F123-C157 VanDerWaalsContact CD1-SG 3.57Å; F123-C157 HydrophobicContact CE1-CB 4.34Å; F123-L165 HydrophobicContact CD1-CD2 4.04Å; F123-L165 HydrophobicContact CD2-CD2 4.4Å; F123-L165 HydrophobicContact CE1-CD2 3.73Å; F123-L165 HydrophobicContact CE2-CD2 4.12Å; F123-L165 HydrophobicContact CG-CD2 4.39Å; F123-L165 HydrophobicContact CZ-CD2 3.78Å
124A98.9Very high98.3Very high0 Ų048.9 Ų48.90%026%0.262CS..EExtended strand (participates in β ladder)trans-88.184.9168.200000108.3Q127 V135 I138 V154 Q155 C157A124-Q127 VanDerWaalsContact O-CG 3.24Å; A124-Q127 WeakPolarHBondContact O-CG 3.47Å; A124-Q127 PolarHBondContact O-NE2 3.45Å; A124-V135 HydrophobicContact CB-CG2 4.17Å; A124-I138 HydrophobicContact CB-CD1 3.6Å; A124-V154 HydrophobicContact CB-CG2 4.43Å; A124-Q155 PolarHBondContact N-O 3.29Å; A124-C157 PolarHBondContact O-N 2.85Å
125N98.9Very high98.3Very high3 Ų345.2 Ų45.22%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-84.8160.1-168.7-171.535.4000113.1A27 I32 V90 V91 S93 F123 C157 A159A27-N125 PolarHBondContact O-ND2 3.44Å; I32-N125 HydrophobicContact CD1-CB 4.47Å; V90-N125 HydrophobicContact CG1-CB 3.89Å; V91-N125 WeakPolarHBondContact O-CB 3.19Å; V91-N125 PolarHBondContact O-N 2.95Å; S93-N125 WeakPolarHBondContact CB-O 3.14Å; S93-N125 PolarHBondContact N-O 2.86Å; S93-N125 PolarHBondContact OG-O 3.23Å; F123-N125 PolarHBondContact O-N 3.31Å; N125-C157 CarbonylContact C-O 3.54Å; N125-C157 WeakPolarHBondContact CA-O 3.11Å; N125-C157 VanDerWaalsContact CA-SG 3.59Å; N125-A159 WeakPolarHBondContact OD1-CB 3.46Å; N125-A159 PolarHBondContact OD1-N 3.48Å
126K98.7Very high98.3Very high39 Ų3948.6 Ų48.617%0.1728%0.275CS..  trans69.939.2-178.5-46.8-171.4-169.4172.30113.7N26 D92 T94 D128 V129 C157N26-K126 PolarHBondContact ND2-NZ 2.84Å; N26-K126 VanDerWaalsContact ND2-NZ 3.17Å; N26-K126 WeakPolarHBondContact O-CE 3.33Å; N26-K126 PolarHBondContact O-NZ 3.32Å; D92-K126 WeakPolarHBondContact OD1-CD 3.36Å; D92-K126 IonicContact OD1-NZ 3.75Å; D92-K126 WeakPolarHBondContact OD2-CE 3.5Å; D92-K126 IonicContact OD2-NZ 3.24Å; D92-K126 PolarHBondContact OD2-NZ 3.1Å; T94-K126 HydrophobicContact CG2-CB 4.04Å; T94-K126 HydrophobicContact CG2-CD 4.41Å; K126-D128 VanDerWaalsContact C-OD1 3.32Å; K126-D128 VanDerWaalsContact CA-OD1 3.3Å; K126-D128 WeakPolarHBondContact CA-OD1 3.31Å; K126-D128 PolarHBondContact O-N 2.95Å; K126-V129 HydrophobicContact CB-CG2 4.15Å; K126-V129 PolarHBondContact O-N 3.49Å; K126-C157 PolarHBondContact N-O 3.17Å; K126-C157 VanDerWaalsContact N-O 3.12Å
127Q98.7Very high98.4Very high57 Ų5745.2 Ų45.227%0.26626%0.261SS..THydrogen-bonded Turntrans-68.7-13176.1-63.8-67.4-38.100113.5S93 A124 V129 M133 P156 C157S93-Q127 PolarHBondContact OG-NE2 3.12Å; A124-Q127 VanDerWaalsContact O-CG 3.24Å; A124-Q127 WeakPolarHBondContact O-CG 3.47Å; A124-Q127 PolarHBondContact O-NE2 3.45Å; Q127-V129 VanDerWaalsContact C-N 3.25Å; Q127-V129 PolarHBondContact O-N 3.45Å; Q127-M133 PolarHBondContact NE2-O 2.89Å; Q127-P156 HydrophobicContact CG-CB 3.8Å; Q127-C157 WeakPolarHBondContact CG-O 3.32Å; Q127-C157 PolarHBondContact N-O 2.96Å
128D98.2Very high98.6Very high89 Ų8934.6 Ų34.648%0.47622%0.221SC..THydrogen-bonded Turntrans-72.5-17173.959.2-61.9000113.2K126 C158K126-D128 VanDerWaalsContact C-OD1 3.32Å; K126-D128 VanDerWaalsContact CA-OD1 3.3Å; K126-D128 WeakPolarHBondContact CA-OD1 3.31Å; K126-D128 PolarHBondContact O-N 2.95Å; D128-C158 HydrophobicContact CB-CB 4.39Å; D128-C158 PolarHBondContact OD1-SG 2.74Å
129V98.5Very high98.6Very high60 Ų6035.3 Ų35.336%0.36423%0.226SC..SBendtrans-86.6126.5-175.5-176.80000111.1T94 K126 Q127 G131 C132T94-V129 HydrophobicContact CG2-CB 3.56Å; T94-V129 HydrophobicContact CG2-CG1 3.65Å; T94-V129 HydrophobicContact CG2-CG2 3.9Å; K126-V129 HydrophobicContact CB-CG2 4.15Å; K126-V129 PolarHBondContact O-N 3.49Å; Q127-V129 VanDerWaalsContact C-N 3.25Å; Q127-V129 PolarHBondContact O-N 3.45Å; V129-G131 PolarHBondContact O-N 3.12Å; V129-C132 VanDerWaalsContact O-CB 3.24Å; V129-C132 WeakPolarHBondContact O-CB 3.37Å; V129-C132 PolarHBondContact O-N 3.21Å; V129-C132 VanDerWaalsContact O-N 3.17Å; V129-C132 PolarHBondContact O-SG 2.82Å
130S97.9Very high98.6Very high125 Ų12540.7 Ų40.787%0.87425%0.251SS*.THydrogen-bonded Turntrans-57.6133174.9-179.10000111.7C132S130-C132 VanDerWaalsContact C-N 3.3Å
131G97.6Very high98.6Very high60 Ų6043.9 Ų43.962%0.61927%0.269SS*.THydrogen-bonded Turntrans80.54.8-179.100000115V129V129-G131 PolarHBondContact O-N 3.12Å
132C98.6Very high98.6Very high28 Ų2844.1 Ų44.119%0.18927%0.27CS..PPolyproline II helixtrans-59.3157.2171.570.10000112S93 T94 V129 S130S93-C132 CarbonylContact O-C 3.5Å; S93-C132 WeakPolarHBondContact O-CA 3.49Å; T94-C132 HydrophobicContact CG2-CB 4.14Å; V129-C132 VanDerWaalsContact O-CB 3.24Å; V129-C132 WeakPolarHBondContact O-CB 3.37Å; V129-C132 PolarHBondContact O-N 3.21Å; V129-C132 VanDerWaalsContact O-N 3.17Å; V129-C132 PolarHBondContact O-SG 2.82Å; S130-C132 VanDerWaalsContact C-N 3.3Å
133M98.8Very high98.6Very high2 Ų247.5 Ų47.51%0.0129%0.288CS..PPolyproline II helixtrans-69.6134.2173.8-67.4178.3-76.800110.5D92 S93 R96 L99 Q127 E137 I138D92-M133 WeakPolarHBondContact O-CE 3.27Å; S93-M133 WeakPolarHBondContact O-CB 3.37Å; S93-M133 VanDerWaalsContact O-CE 3.32Å; S93-M133 WeakPolarHBondContact O-CE 3.37Å; S93-M133 WeakPolarHBondContact O-CG 3.21Å; S93-M133 PolarHBondContact O-N 3.3Å; R96-M133 HydrophobicContact CB-SD 4.32Å; R96-M133 HydrophobicContact CG-CE 4.04Å; R96-M133 HydrophobicContact CG-CG 3.55Å; R96-M133 HydrophobicContact CG-SD 3.5Å; R96-M133 WeakPolarHBondContact CG-SD 3.46Å; R96-M133 VanDerWaalsContact CZ-CG 3.41Å; L99-M133 HydrophobicContact CD1-CE 4.22Å; L99-M133 HydrophobicContact CD2-CE 4.23Å; L99-M133 HydrophobicContact CD2-SD 3.64Å; Q127-M133 PolarHBondContact NE2-O 2.89Å; M133-E137 HydrophobicContact CB-CB 4.48Å; M133-E137 HydrophobicContact CB-CG 4.34Å; M133-E137 HydrophobicContact CG-CG 4.33Å; M133-I138 HydrophobicContact CB-CD1 4.05Å; M133-I138 HydrophobicContact CB-CG1 3.84Å; M133-I138 HydrophobicContact CE-CG1 4.39Å; M133-I138 HydrophobicContact SD-CG1 4.33Å
134S98.5Very high98.5Very high58 Ų5847.5 Ų47.541%0.40629%0.288SS..PPolyproline II helixtrans-66.4159.1170.171.50000111.1A136 E137 I138S134-A136 PolarHBondContact O-N 3.07Å; S134-E137 WeakPolarHBondContact O-CB 3.31Å; S134-E137 PolarHBondContact O-N 3.17Å; S134-E137 VanDerWaalsContact O-N 3.14Å; S134-E137 WeakPolarHBondContact OG-CB 3.32Å; S134-E137 PolarHBondContact OG-N 2.67Å; S134-E137 VanDerWaalsContact OG-N 3.11Å; S134-I138 PolarHBondContact O-N 3.33Å
135V98.6Very high98.5Very high34 Ų3451.6 Ų51.621%0.20631%0.313CS..Hα-helixtrans-57.7-38.5172.5174.80000111.8A124 E137 I138 S139 V154 P156A124-V135 HydrophobicContact CB-CG2 4.17Å; V135-E137 VanDerWaalsContact C-N 3.33Å; V135-I138 PolarHBondContact O-N 2.85Å; V135-S139 VanDerWaalsContact O-CB 3.25Å; V135-S139 WeakPolarHBondContact O-CB 3.45Å; V135-S139 PolarHBondContact O-N 3.38Å; V135-S139 PolarHBondContact O-OG 3.32Å; V135-V154 HydrophobicContact CG1-CB 4.22Å; V135-V154 HydrophobicContact CG1-CG1 3.48Å; V135-V154 VanDerWaalsContact CG1-CG1 3.48Å; V135-V154 HydrophobicContact CG1-CG2 3.75Å; V135-P156 HydrophobicContact CG2-CB 3.52Å; V135-P156 HydrophobicContact CG2-CG 3.78Å
136A98.6Very high98.4Very high71 Ų7154.3 Ų54.359%0.58733%0.332SS*.Hα-helixtrans-63.4-42.2177.500000111.3S134 S139 H140S134-A136 PolarHBondContact O-N 3.07Å; A136-S139 PolarHBondContact O-N 2.89Å; A136-H140 WeakPolarHBondContact O-CB 3.41Å; A136-H140 PolarHBondContact O-N 3.09Å
137E98.7Very high98.3Very high60 Ų6053.1 Ų53.128%0.2833%0.328SS..Hα-helixtrans-65-47176.7178.3168.9-160.500112.4R96 M133 S134 V135 S139 H140 N141R96-E137 IonicContact CZ-OE1 3.54Å; R96-E137 IonicContact CZ-OE2 3.4Å; R96-E137 IonicContact NH1-OE1 2.59Å; R96-E137 PolarHBondContact NH1-OE1 2.82Å; R96-E137 IonicContact NH1-OE2 3.23Å; R96-E137 PolarHBondContact NH1-OE2 3.37Å; R96-E137 IonicContact NH2-OE1 3.71Å; R96-E137 IonicContact NH2-OE2 2.78Å; R96-E137 PolarHBondContact NH2-OE2 3.09Å; M133-E137 HydrophobicContact CB-CB 4.48Å; M133-E137 HydrophobicContact CB-CG 4.34Å; M133-E137 HydrophobicContact CG-CG 4.33Å; S134-E137 WeakPolarHBondContact O-CB 3.31Å; S134-E137 PolarHBondContact O-N 3.17Å; S134-E137 VanDerWaalsContact O-N 3.14Å; S134-E137 WeakPolarHBondContact OG-CB 3.32Å; S134-E137 PolarHBondContact OG-N 2.67Å; S134-E137 VanDerWaalsContact OG-N 3.11Å; V135-E137 VanDerWaalsContact C-N 3.33Å; E137-S139 VanDerWaalsContact C-N 3.31Å; E137-S139 PolarHBondContact O-N 3Å; E137-H140 PolarHBondContact O-N 2.69Å; E137-N141 WeakPolarHBondContact CG-ND2 3.37Å; E137-N141 WeakPolarHBondContact O-CB 3.33Å; E137-N141 PolarHBondContact O-N 2.83Å; E137-N141 PolarHBondContact O-ND2 3.18Å
138I98.9Very high98.2Very high0 Ų059.2 Ų59.20%035%0.348CS..Hα-helixtrans-59.8-45.1175-73.1164.2000110.1V91 S93 A124 M133 S134 V135 H140 N141 L142V91-I138 HydrophobicContact CG1-CD1 4.12Å; V91-I138 HydrophobicContact CG1-CG1 4.32Å; V91-I138 HydrophobicContact CG1-CG2 4.15Å; V91-I138 HydrophobicContact CG2-CG2 4.34Å; S93-I138 VanDerWaalsContact OG-CD1 3.32Å; S93-I138 WeakPolarHBondContact OG-CD1 3.33Å; A124-I138 HydrophobicContact CB-CD1 3.6Å; M133-I138 HydrophobicContact CB-CD1 4.05Å; M133-I138 HydrophobicContact CB-CG1 3.84Å; M133-I138 HydrophobicContact CE-CG1 4.39Å; M133-I138 HydrophobicContact SD-CG1 4.33Å; S134-I138 PolarHBondContact O-N 3.33Å; V135-I138 PolarHBondContact O-N 2.85Å; I138-H140 VanDerWaalsContact C-N 3.32Å; I138-H140 PolarHBondContact O-N 2.82Å; I138-N141 PolarHBondContact O-N 2.66Å; I138-L142 HydrophobicContact CG2-CD1 3.66Å; I138-L142 HydrophobicContact CG2-CG 4.12Å; I138-L142 WeakPolarHBondContact O-CB 3.41Å; I138-L142 VanDerWaalsContact O-CG 3.31Å; I138-L142 WeakPolarHBondContact O-CG 3.45Å; I138-L142 PolarHBondContact O-N 2.88Å
139S98.7Very high98Very high17 Ų1761.7 Ų61.712%0.11936%0.362CS..Hα-helixtrans-60.6-42.2-179.6-600000112.3V135 A136 E137 N143 L144V135-S139 VanDerWaalsContact O-CB 3.25Å; V135-S139 WeakPolarHBondContact O-CB 3.45Å; V135-S139 PolarHBondContact O-N 3.38Å; V135-S139 PolarHBondContact O-OG 3.32Å; A136-S139 PolarHBondContact O-N 2.89Å; E137-S139 VanDerWaalsContact C-N 3.31Å; E137-S139 PolarHBondContact O-N 3Å; S139-N143 PolarHBondContact O-N 2.81Å; S139-N143 VanDerWaalsContact O-N 3.09Å; S139-L144 PolarHBondContact O-N 3.12Å
140H98.6Very high97.9Very high149 Ų14959.4 Ų59.469%0.6935%0.347SS*.Hα-helixtrans-64.9-51.5176.418075.2000111.4A136 E137 I138 L142 N143A136-H140 WeakPolarHBondContact O-CB 3.41Å; A136-H140 PolarHBondContact O-N 3.09Å; E137-H140 PolarHBondContact O-N 2.69Å; I138-H140 VanDerWaalsContact C-N 3.32Å; I138-H140 PolarHBondContact O-N 2.82Å; H140-L142 PolarHBondContact O-N 3.37Å; H140-N143 PolarHBondContact O-N 3.18Å
141N98.6Very high97.9Very high68 Ų6856.3 Ų56.336%0.36432%0.324SS..Hα-helixtrans-63.8-42.4-177.2-82.7-81000112.7L99 K103 E137 I138 N143L99-N141 HydrophobicContact CD2-CB 3.33Å; L99-N141 HydrophobicContact CG-CB 4.27Å; K103-N141 WeakPolarHBondContact CD-O 3.3Å; K103-N141 WeakPolarHBondContact CE-O 3.3Å; K103-N141 PolarHBondContact NZ-O 3.3Å; E137-N141 WeakPolarHBondContact CG-ND2 3.37Å; E137-N141 WeakPolarHBondContact O-CB 3.33Å; E137-N141 PolarHBondContact O-N 2.83Å; E137-N141 PolarHBondContact O-ND2 3.18Å; I138-N141 PolarHBondContact O-N 2.66Å; N141-N143 PolarHBondContact O-N 3Å
142L98.7Very high97.9Very high6 Ų656.9 Ų56.93%0.03131%0.307CS..THydrogen-bonded Turntrans-75.1-8.2175.5-62-173.2000113V91 L99 T102 K103 L106 I138 H140 L144V91-L142 HydrophobicContact CG2-CD1 3.92Å; L99-L142 HydrophobicContact CD1-CD2 3.95Å; L99-L142 HydrophobicContact CD1-CG 4.35Å; L99-L142 HydrophobicContact CG-CD2 4.29Å; T102-L142 HydrophobicContact CG2-CD2 4.26Å; K103-L142 HydrophobicContact CB-CD2 3.79Å; K103-L142 HydrophobicContact CG-CD2 4.46Å; L106-L142 HydrophobicContact CD2-CB 4.11Å; L106-L142 HydrophobicContact CD2-CD1 4.43Å; I138-L142 HydrophobicContact CG2-CD1 3.66Å; I138-L142 HydrophobicContact CG2-CG 4.12Å; I138-L142 WeakPolarHBondContact O-CB 3.41Å; I138-L142 VanDerWaalsContact O-CG 3.31Å; I138-L142 WeakPolarHBondContact O-CG 3.45Å; I138-L142 PolarHBondContact O-N 2.88Å; H140-L142 PolarHBondContact O-N 3.37Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 HydrophobicContact CB-CD2 3.64Å; L142-L144 HydrophobicContact CB-CG 3.94Å; L142-L144 HydrophobicContact CD1-CD2 4.2Å; L142-L144 PolarHBondContact O-N 3.38Å
143N98.1Very high97.9Very high72 Ų7258.2 Ų58.239%0.38531%0.31SS..THydrogen-bonded Turntrans55.441-176.6-161.727.9000112.6S139 H140 N141 T145 S146S139-N143 PolarHBondContact O-N 2.81Å; S139-N143 VanDerWaalsContact O-N 3.09Å; H140-N143 PolarHBondContact O-N 3.18Å; N141-N143 PolarHBondContact O-N 3Å; N143-T145 PolarHBondContact O-N 3.38Å; N143-S146 VanDerWaalsContact ND2-CB 3.31Å; N143-S146 WeakPolarHBondContact ND2-CB 3.24Å; N143-S146 PolarHBondContact ND2-OG 3.38Å; N143-S146 PolarHBondContact O-N 3.02Å; N143-S146 PolarHBondContact O-OG 3.36Å
144L98.6Very high97.9Very high0 Ų059 Ų590%032%0.315CS..G310 helixtrans-60.1-33.2-174.2-60.2-174.5000112.1L106 I122 S139 L142 S146 I147 W152 V154L106-L144 HydrophobicContact CD2-CD2 3.54Å; I122-L144 HydrophobicContact CD1-CD1 4.37Å; I122-L144 HydrophobicContact CD1-CD2 4.36Å; I122-L144 HydrophobicContact CG1-CD1 4.41Å; I122-L144 HydrophobicContact CG1-CD2 4.37Å; S139-L144 PolarHBondContact O-N 3.12Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 HydrophobicContact CB-CD2 3.64Å; L142-L144 HydrophobicContact CB-CG 3.94Å; L142-L144 HydrophobicContact CD1-CD2 4.2Å; L142-L144 PolarHBondContact O-N 3.38Å; L144-S146 PolarHBondContact O-N 2.98Å; L144-S146 VanDerWaalsContact O-N 3.12Å; L144-I147 HydrophobicContact CB-CD1 4.44Å; L144-I147 HydrophobicContact CD2-CD1 3.87Å; L144-I147 WeakPolarHBondContact O-CB 3.43Å; L144-I147 WeakPolarHBondContact O-CG1 3.31Å; L144-I147 PolarHBondContact O-N 3.42Å; L144-W152 HydrophobicContact CB-CD2 4.44Å; L144-W152 HydrophobicContact CB-CE3 4.1Å; L144-W152 HydrophobicContact CB-CH2 3.71Å; L144-W152 HydrophobicContact CB-CZ2 4.05Å; L144-W152 HydrophobicContact CB-CZ3 3.73Å; L144-W152 HydrophobicContact CD1-CE3 4.23Å; L144-W152 HydrophobicContact CD1-CZ3 3.92Å; L144-W152 HydrophobicContact CG-CZ3 4.47Å; L144-W152 VanDerWaalsContact O-CE2 3.31Å; L144-W152 VanDerWaalsContact O-CZ2 3.3Å; L144-W152 WeakPolarHBondContact O-CZ2 3.3Å; L144-W152 PolarHBondContact O-NE1 3.15Å; L144-V154 HydrophobicContact CD1-CB 3.91Å; L144-V154 HydrophobicContact CD1-CG1 4.35Å; L144-V154 HydrophobicContact CD1-CG2 4.21Å
145T97.2Very high97.9Very high86 Ų8657.4 Ų57.453%0.52830%0.302SS..G310 helixtrans-68.2-6.4177.458.50000113.8N143 R148N143-T145 PolarHBondContact O-N 3.38Å; T145-R148 PolarHBondContact O-NH1 2.99Å; T145-R148 PolarHBondContact O-NH2 2.96Å
146S97.1Very high98Very high60 Ų6058.2 Ų58.242%0.4231%0.307SS..G310 helixtrans-90.6-9.9169.378.30000113.5N143 L144 R148N143-S146 VanDerWaalsContact ND2-CB 3.31Å; N143-S146 WeakPolarHBondContact ND2-CB 3.24Å; N143-S146 PolarHBondContact ND2-OG 3.38Å; N143-S146 PolarHBondContact O-N 3.02Å; N143-S146 PolarHBondContact O-OG 3.36Å; L144-S146 PolarHBondContact O-N 2.98Å; L144-S146 VanDerWaalsContact O-N 3.12Å; S146-R148 PolarHBondContact O-N 2.92Å
147I97.7Very high98Very high13 Ų1355 Ų557%0.06728%0.28CS..  trans-70.3121.3177.6-56.2171.4000107.9L106 L110 L144 H150 W152L106-I147 HydrophobicContact CD2-CD1 4.38Å; L110-I147 HydrophobicContact CD1-CD1 3.96Å; L110-I147 HydrophobicContact CD1-CG1 3.79Å; L110-I147 HydrophobicContact CD2-CD1 4.21Å; L110-I147 HydrophobicContact CD2-CG1 4.33Å; L110-I147 HydrophobicContact CD2-CG2 3.86Å; L144-I147 HydrophobicContact CB-CD1 4.44Å; L144-I147 HydrophobicContact CD2-CD1 3.87Å; L144-I147 WeakPolarHBondContact O-CB 3.43Å; L144-I147 WeakPolarHBondContact O-CG1 3.31Å; L144-I147 PolarHBondContact O-N 3.42Å; I147-H150 HydrophobicContact CG2-CB 4.1Å; I147-W152 HydrophobicContact CB-CG 4.48Å; I147-W152 HydrophobicContact CD1-CG 4.43Å; I147-W152 HydrophobicContact CG2-CG 4.45Å
148R95.1Very high98Very high185 Ų18552.2 Ų52.270%0.69827%0.268SS*.  trans-118.4-31.1-178.3-65.3-71.2172.6-90.7-4.2112.6T145 S146T145-R148 PolarHBondContact O-NH1 2.99Å; T145-R148 PolarHBondContact O-NH2 2.96Å; S146-R148 PolarHBondContact O-N 2.92Å
149D94.1Very high98Very high142 Ų14252.4 Ų52.476%0.75927%0.269SS*.SBendtrans-90.5-8.4-169.4-53.1-55.4000113.8
150H97Very high97.9Very high12 Ų1257 Ų576%0.05629%0.292CS..SBendtrans-127.4135.1178.1-62.9-102.2000110.9L110 L115 S118 M120 I147 W152L110-H150 HydrophobicContact CD2-CB 4.5Å; L110-H150 PolarHBondContact O-NE2 2.81Å; L115-H150 PolarHBondContact O-CE1 3.39Å; S118-H150 PolarHBondContact O-ND1 2.74Å; M120-H150 HydrophobicContact CG-CB 3.96Å; I147-H150 HydrophobicContact CG2-CB 4.1Å; H150-W152 PolarHBondContact O-N 3.31Å
151P97.8Very high97.9Very high59 Ų5954 Ų5438%0.38328%0.284SS..  trans-59.7130.7160.1-20.332.8000109.5K119 M120K119-P151 WeakPolarHBondContact CA-O 3.45Å; K119-P151 HydrophobicContact CB-CB 4.4Å; K119-P151 HydrophobicContact CG-CB 3.87Å; K119-P151 HydrophobicContact CG-CG 3.89Å; M120-P151 PolarHBondContact N-O 2.65Å
152W98.4Very high97.9Very high73 Ų7351.3 Ų51.328%0.27727%0.273SS..EExtended strand (participates in β ladder)trans-141.5157.5-179.467-92000112.4M120 I122 L144 I147 H150 V154M120-W152 HydrophobicContact CB-CB 3.97Å; M120-W152 CarbonylContact O-C 3.48Å; M120-W152 WeakPolarHBondContact O-CA 3.35Å; M120-W152 WeakPolarHBondContact O-CB 3.41Å; I122-W152 HydrophobicContact CD1-CB 4.27Å; I122-W152 HydrophobicContact CD1-CE3 4.42Å; L144-W152 HydrophobicContact CB-CD2 4.44Å; L144-W152 HydrophobicContact CB-CE3 4.1Å; L144-W152 HydrophobicContact CB-CH2 3.71Å; L144-W152 HydrophobicContact CB-CZ2 4.05Å; L144-W152 HydrophobicContact CB-CZ3 3.73Å; L144-W152 HydrophobicContact CD1-CE3 4.23Å; L144-W152 HydrophobicContact CD1-CZ3 3.92Å; L144-W152 HydrophobicContact CG-CZ3 4.47Å; L144-W152 VanDerWaalsContact O-CE2 3.31Å; L144-W152 VanDerWaalsContact O-CZ2 3.3Å; L144-W152 WeakPolarHBondContact O-CZ2 3.3Å; L144-W152 PolarHBondContact O-NE1 3.15Å; I147-W152 HydrophobicContact CB-CG 4.48Å; I147-W152 HydrophobicContact CD1-CG 4.43Å; I147-W152 HydrophobicContact CG2-CG 4.45Å; H150-W152 PolarHBondContact O-N 3.31Å; W152-V154 HydrophobicContact CZ3-CB 4.43Å; W152-V154 HydrophobicContact CZ3-CG1 4.12Å
153H98.7Very high97.9Very high55 Ų5557.8 Ų57.826%0.25530%0.303SS..EExtended strand (participates in β ladder)trans-146.9147.3171.4178.463.2000110.2M120 L121 I122 Q155 W171M120-H153 PolarHBondContact O-N 3.48Å; L121-H153 HydrophobicContact CD1-CB 4.29Å; I122-H153 WeakPolarHBondContact CD1-O 3.4Å; I122-H153 PolarHBondContact N-O 3.34Å; H153-Q155 PolarHBondContact NE2-OE1 2.62Å; H153-Q155 VanDerWaalsContact NE2-OE1 3.09Å; H153-W171 HydrophobicContact CB-CD2 3.37Å; H153-W171 HydrophobicContact CB-CE3 3.95Å; H153-W171 HydrophobicContact CB-CG 3.64Å; H153-W171 HydrophobicContact CB-CH2 4.2Å; H153-W171 HydrophobicContact CB-CZ2 3.67Å; H153-W171 HydrophobicContact CB-CZ3 4.34Å; H153-W171 AromaticContact CD2-CG 3.82Å; H153-W171 AromaticContact CG-CD1 3.74Å; H153-W171 AromaticContact CG-CG 3.78Å; H153-W171 AromaticContact CG-NE1 4Å
154V98.8Very high97.9Very high18 Ų1854.7 Ų54.711%0.10929%0.288CS..EExtended strand (participates in β ladder)trans-114127.6172.662.50000109.2I122 A124 V135 L144 W152I122-V154 HydrophobicContact CB-CB 4.28Å; I122-V154 HydrophobicContact CB-CG2 4.15Å; I122-V154 HydrophobicContact CG2-CG2 4.11Å; I122-V154 CarbonylContact O-C 3.59Å; I122-V154 VanDerWaalsContact O-CA 3.31Å; I122-V154 WeakPolarHBondContact O-CA 3.4Å; A124-V154 HydrophobicContact CB-CG2 4.43Å; V135-V154 HydrophobicContact CG1-CB 4.22Å; V135-V154 HydrophobicContact CG1-CG1 3.48Å; V135-V154 VanDerWaalsContact CG1-CG1 3.48Å; V135-V154 HydrophobicContact CG1-CG2 3.75Å; L144-V154 HydrophobicContact CD1-CB 3.91Å; L144-V154 HydrophobicContact CD1-CG1 4.35Å; L144-V154 HydrophobicContact CD1-CG2 4.21Å; W152-V154 HydrophobicContact CZ3-CB 4.43Å; W152-V154 HydrophobicContact CZ3-CG1 4.12Å
155Q98.9Very high97.9Very high26 Ų2654.8 Ų54.812%0.12129%0.288CS..EExtended strand (participates in β ladder)trans-124.4117.3-174.4-178.557.249.900109.9L121 I122 F123 A124 H153 G164 Q167L121-Q155 HydrophobicContact CD1-CB 4.18Å; I122-Q155 PolarHBondContact O-N 3.42Å; F123-Q155 WeakPolarHBondContact CA-O 3.49Å; F123-Q155 HydrophobicContact CD1-CB 3.87Å; F123-Q155 HydrophobicContact CD1-CG 4.02Å; F123-Q155 HydrophobicContact CE1-CB 3.94Å; F123-Q155 HydrophobicContact CE1-CG 3.75Å; A124-Q155 PolarHBondContact N-O 3.29Å; H153-Q155 PolarHBondContact NE2-OE1 2.62Å; H153-Q155 VanDerWaalsContact NE2-OE1 3.09Å; Q155-G164 WeakPolarHBondContact CG-O 3.25Å; Q155-Q167 HydrophobicContact CG-CB 4.46Å
156P98.9Very high98Very high50 Ų5053 Ų5333%0.32528%0.278SS..EExtended strand (participates in β ladder)trans-62.5138.216723.8-28.9000109.7Q127 V135 G164Q127-P156 HydrophobicContact CG-CB 3.8Å; V135-P156 HydrophobicContact CG2-CB 3.52Å; V135-P156 HydrophobicContact CG2-CG 3.78Å; P156-G164 WeakPolarHBondContact O-CA 3.46Å
157C98.9Very high98Very high3 Ų354.8 Ų54.82%0.0228%0.28CS..EExtended strand (participates in β ladder)trans-152.5167.1175.669.40000113.4F123 A124 N125 K126 Q127 E163 L165F123-C157 HydrophobicContact CD1-CB 3.93Å; F123-C157 VanDerWaalsContact CD1-SG 3.57Å; F123-C157 HydrophobicContact CE1-CB 4.34Å; A124-C157 PolarHBondContact O-N 2.85Å; N125-C157 CarbonylContact C-O 3.54Å; N125-C157 WeakPolarHBondContact CA-O 3.11Å; N125-C157 VanDerWaalsContact CA-SG 3.59Å; K126-C157 PolarHBondContact N-O 3.17Å; K126-C157 VanDerWaalsContact N-O 3.12Å; Q127-C157 WeakPolarHBondContact CG-O 3.32Å; Q127-C157 PolarHBondContact N-O 2.96Å; C157-E163 CarbonylContact C-O 3.58Å; C157-E163 WeakPolarHBondContact CA-O 3.49Å; C157-E163 WeakPolarHBondContact CB-O 3.35Å; C157-L165 HydrophobicContact CB-CD2 3.6Å; C157-L165 HydrophobicContact CB-CG 4.24Å
158C98.7Very high98.1Very high3 Ų354.1 Ų54.12%0.0228%0.277CS..  trans-128.8114.7163.9174.50000108.9D128 L160 T161 G162 E163D128-C158 HydrophobicContact CB-CB 4.39Å; D128-C158 PolarHBondContact OD1-SG 2.74Å; C158-L160 PolarHBondContact O-N 3.39Å; C158-L160 PolarHBondContact SG-N 3.32Å; C158-T161 WeakPolarHBondContact CB-OG1 3.43Å; C158-T161 PolarHBondContact O-N 3.17Å; C158-G162 WeakPolarHBondContact O-CA 3.32Å; C158-G162 PolarHBondContact O-N 3.4Å; C158-E163 PolarHBondContact N-O 2.89Å; C158-E163 PolarHBondContact O-N 2.78Å
159A98.6Very high98.2Very high4 Ų445.3 Ų45.33%0.03324%0.243CC..THydrogen-bonded Turntrans-63.2-29178.700000113.1T31 I32 Q35 N125T31-A159 HydrophobicContact CG2-CB 3.75Å; I32-A159 HydrophobicContact CD1-CB 4.43Å; I32-A159 HydrophobicContact CG1-CB 3.54Å; Q35-A159 PolarHBondContact OE1-O 2.96Å; N125-A159 WeakPolarHBondContact OD1-CB 3.46Å; N125-A159 PolarHBondContact OD1-N 3.48Å
160L97.9Very high98.4Very high112 Ų11241.1 Ų41.159%0.58622%0.221SC*.THydrogen-bonded Turntrans-75.7-34.6-178.4-64178.4000112.9T31 A41 C158T31-L160 HydrophobicContact CG2-CD2 4.14Å; A41-L160 HydrophobicContact CB-CD2 4.15Å; A41-L160 WeakPolarHBondContact CB-O 3.42Å; C158-L160 PolarHBondContact O-N 3.39Å; C158-L160 PolarHBondContact SG-N 3.32Å
161T97.7Very high98.5Very high87 Ų8742.2 Ų42.253%0.53422%0.224SC..THydrogen-bonded Turntrans-96.9-19.4179.166.40000112.6C158 E163C158-T161 WeakPolarHBondContact CB-OG1 3.43Å; C158-T161 PolarHBondContact O-N 3.17Å; T161-E163 WeakPolarHBondContact OG1-CB 3.42Å; T161-E163 PolarHBondContact OG1-N 3.45Å
162G98.3Very high98.5Very high12 Ų1239.4 Ų39.412%0.12421%0.206CC..  trans800.5-17100000114.4C158 G164 L165 P166C158-G162 WeakPolarHBondContact O-CA 3.32Å; C158-G162 PolarHBondContact O-N 3.4Å; G162-G164 PolarHBondContact O-N 2.86Å; G162-L165 PolarHBondContact O-N 2.97Å; G162-P166 VanDerWaalsContact O-CD 3.27Å; G162-P166 WeakPolarHBondContact O-CD 3.32Å
163E98.6Very high98.4Very high142 Ų14237 Ų3766%0.66420%0.202SC*.THydrogen-bonded Turntrans-59.7137.2177.5-172.8179.2172.500111.2C157 C158 T161 L165C157-E163 CarbonylContact C-O 3.58Å; C157-E163 WeakPolarHBondContact CA-O 3.49Å; C157-E163 WeakPolarHBondContact CB-O 3.35Å; C158-E163 PolarHBondContact N-O 2.89Å; C158-E163 PolarHBondContact O-N 2.78Å; T161-E163 WeakPolarHBondContact OG1-CB 3.42Å; T161-E163 PolarHBondContact OG1-N 3.45Å; E163-L165 PolarHBondContact O-N 3.46Å; E163-L165 VanDerWaalsContact O-N 3.1Å
164G98.8Very high98.3Very high6 Ų637.8 Ų37.86%0.06221%0.211CC..THydrogen-bonded Turntrans78.3-19.3177.600000115.2Q155 P156 G162 Q167 G168Q155-G164 WeakPolarHBondContact CG-O 3.25Å; P156-G164 WeakPolarHBondContact O-CA 3.46Å; G162-G164 PolarHBondContact O-N 2.86Å; G164-Q167 PolarHBondContact O-N 2.67Å; G164-Q167 PolarHBondContact O-OE1 2.93Å; G164-G168 PolarHBondContact O-N 3.45Å
165L98.8Very high98.1Very high2 Ų237.6 Ų37.61%0.0121%0.209CC..Hα-helixtrans-66.3-44.5-179.5-59.9-174.2000113.3I32 Q35 F36 F123 C157 G162 E163 Q167 G168 L169I32-L165 HydrophobicContact CD1-CD2 4.14Å; I32-L165 HydrophobicContact CG1-CD1 4.35Å; I32-L165 HydrophobicContact CG1-CD2 3.97Å; I32-L165 HydrophobicContact CG2-CD1 4.31Å; I32-L165 HydrophobicContact CG2-CD2 4.06Å; Q35-L165 HydrophobicContact CB-CD1 3.77Å; Q35-L165 HydrophobicContact CG-CD1 3.59Å; F36-L165 HydrophobicContact CD1-CB 4.47Å; F36-L165 HydrophobicContact CE1-CB 3.6Å; F36-L165 HydrophobicContact CE1-CD1 4.31Å; F36-L165 HydrophobicContact CE1-CG 4.45Å; F36-L165 HydrophobicContact CZ-CB 4.07Å; F36-L165 HydrophobicContact CZ-CD2 4.43Å; F123-L165 HydrophobicContact CD1-CD2 4.04Å; F123-L165 HydrophobicContact CD2-CD2 4.4Å; F123-L165 HydrophobicContact CE1-CD2 3.73Å; F123-L165 HydrophobicContact CE2-CD2 4.12Å; F123-L165 HydrophobicContact CG-CD2 4.39Å; F123-L165 HydrophobicContact CZ-CD2 3.78Å; C157-L165 HydrophobicContact CB-CD2 3.6Å; C157-L165 HydrophobicContact CB-CG 4.24Å; G162-L165 PolarHBondContact O-N 2.97Å; E163-L165 PolarHBondContact O-N 3.46Å; E163-L165 VanDerWaalsContact O-N 3.1Å; L165-Q167 VanDerWaalsContact C-N 3.28Å; L165-Q167 PolarHBondContact O-N 3.17Å; L165-G168 PolarHBondContact O-N 2.98Å; L165-G168 VanDerWaalsContact O-N 3.17Å; L165-L169 PolarHBondContact O-N 3.33Å; L165-L169 VanDerWaalsContact O-N 3.11Å
166P98.5Very high97.6Very high50 Ų5038.4 Ų38.433%0.32521%0.214SC..Hα-helixtrans-52.3-43.3171.9-3340.6000113.9W57 G162 G168 L169 D170W57-P166 HydrophobicContact CH2-CB 3.63Å; W57-P166 HydrophobicContact CH2-CG 4.21Å; W57-P166 HydrophobicContact CZ2-CB 4.01Å; G162-P166 VanDerWaalsContact O-CD 3.27Å; G162-P166 WeakPolarHBondContact O-CD 3.32Å; P166-G168 VanDerWaalsContact C-N 3.31Å; P166-G168 PolarHBondContact O-N 3.38Å; P166-L169 PolarHBondContact O-N 2.97Å; P166-D170 WeakPolarHBondContact O-CB 3.47Å; P166-D170 PolarHBondContact O-N 3.09Å
167Q98.7Very high96.6Very high96 Ų9640.2 Ų40.245%0.44924%0.241SC..Hα-helixtrans-65.6-36.3-178.9-6682.3-10.600111.3Q155 G164 L165 D170 W171Q155-Q167 HydrophobicContact CG-CB 4.46Å; G164-Q167 PolarHBondContact O-N 2.67Å; G164-Q167 PolarHBondContact O-OE1 2.93Å; L165-Q167 VanDerWaalsContact C-N 3.28Å; L165-Q167 PolarHBondContact O-N 3.17Å; Q167-D170 PolarHBondContact O-N 3.36Å; Q167-W171 PolarHBondContact O-N 3.44Å
168G98.8Very high95.1Very high0 Ų050.3 Ų50.30%028%0.279CS..Hα-helixtrans-64.3-44.5172.600000112.8L121 G164 L165 P166 D170 W171 I172L121-G168 WeakPolarHBondContact CD2-O 3.13Å; G164-G168 PolarHBondContact O-N 3.45Å; L165-G168 PolarHBondContact O-N 2.98Å; L165-G168 VanDerWaalsContact O-N 3.17Å; P166-G168 VanDerWaalsContact C-N 3.31Å; P166-G168 PolarHBondContact O-N 3.38Å; G168-D170 VanDerWaalsContact C-N 3.34Å; G168-W171 PolarHBondContact O-N 2.9Å; G168-I172 PolarHBondContact O-N 3.46Å
169L98.3Very high94.9Very high0 Ų052.7 Ų52.70%029%0.292CS..Hα-helixtrans-67.4-34.5175.1-68.6-172.5000112.7F36 W57 M64 L165 P166 I172 A173F36-L169 HydrophobicContact CD1-CD1 3.45Å; F36-L169 VanDerWaalsContact CD1-CD1 3.45Å; F36-L169 HydrophobicContact CD1-CG 4.09Å; F36-L169 HydrophobicContact CE1-CD1 3.34Å; F36-L169 HydrophobicContact CE1-CD2 3.98Å; F36-L169 HydrophobicContact CE1-CG 3.44Å; F36-L169 VanDerWaalsContact CE1-CG 3.44Å; F36-L169 HydrophobicContact CE2-CD2 4.09Å; F36-L169 HydrophobicContact CE2-CG 4.45Å; F36-L169 HydrophobicContact CG-CD1 4.16Å; F36-L169 HydrophobicContact CZ-CD1 3.99Å; F36-L169 HydrophobicContact CZ-CD2 3.73Å; F36-L169 HydrophobicContact CZ-CG 3.67Å; W57-L169 HydrophobicContact CB-CD1 4.21Å; W57-L169 HydrophobicContact CD2-CB 3.76Å; W57-L169 HydrophobicContact CD2-CD1 3.61Å; W57-L169 HydrophobicContact CD2-CG 4.36Å; W57-L169 HydrophobicContact CE3-CB 4.42Å; W57-L169 HydrophobicContact CE3-CD1 3.53Å; W57-L169 HydrophobicContact CG-CB 3.88Å; W57-L169 HydrophobicContact CG-CD1 3.92Å; W57-L169 HydrophobicContact CZ2-CB 4.23Å; W57-L169 HydrophobicContact CZ3-CD1 4.16Å; M64-L169 HydrophobicContact CE-CD2 3.88Å; L165-L169 PolarHBondContact O-N 3.33Å; L165-L169 VanDerWaalsContact O-N 3.11Å; P166-L169 PolarHBondContact O-N 2.97Å; L169-I172 HydrophobicContact CD2-CD1 4.19Å; L169-I172 WeakPolarHBondContact O-CB 3.15Å; L169-I172 PolarHBondContact O-N 3.39Å; L169-A173 PolarHBondContact O-N 3.34Å
170D98.4Very high94.7Very high53 Ų5355.3 Ų55.328%0.28331%0.306SS..Hα-helixtrans-63.7-42173.1-81.7-17.9000111.6W57 K58 P166 Q167 G168 A173 T174W57-D170 WeakPolarHBondContact CZ2-OD1 3.48Å; W57-D170 PolarHBondContact NE1-OD1 2.82Å; K58-D170 WeakPolarHBondContact CE-OD1 3.43Å; K58-D170 IonicContact NZ-OD1 3.76Å; K58-D170 PolarHBondContact NZ-OD1 3.13Å; K58-D170 IonicContact NZ-OD2 2.72Å; P166-D170 WeakPolarHBondContact O-CB 3.47Å; P166-D170 PolarHBondContact O-N 3.09Å; Q167-D170 PolarHBondContact O-N 3.36Å; G168-D170 VanDerWaalsContact C-N 3.34Å; D170-A173 WeakPolarHBondContact O-CB 3.38Å; D170-A173 PolarHBondContact O-N 3.03Å; D170-T174 VanDerWaalsContact O-CG2 3.31Å; D170-T174 WeakPolarHBondContact O-CG2 3.33Å; D170-T174 PolarHBondContact O-N 2.91Å; D170-T174 VanDerWaalsContact O-N 3.08Å
171W98.4Very high94.6Very high35 Ų3552.1 Ų52.113%0.13329%0.29CS..Hα-helixtrans-58.9-47.7171.7177.884000111.6K119 M120 L121 H153 Q167 G168 A173 T174 Q175K119-W171 HydrophobicContact CB-CH2 4.07Å; M120-W171 WeakPolarHBondContact O-CH2 3.5Å; L121-W171 HydrophobicContact CB-CE3 4.05Å; L121-W171 HydrophobicContact CB-CZ3 3.78Å; L121-W171 HydrophobicContact CD1-CE3 3.93Å; L121-W171 HydrophobicContact CD1-CZ3 4.4Å; L121-W171 HydrophobicContact CG-CE3 4.46Å; H153-W171 HydrophobicContact CB-CD2 3.37Å; H153-W171 HydrophobicContact CB-CE3 3.95Å; H153-W171 HydrophobicContact CB-CG 3.64Å; H153-W171 HydrophobicContact CB-CH2 4.2Å; H153-W171 HydrophobicContact CB-CZ2 3.67Å; H153-W171 HydrophobicContact CB-CZ3 4.34Å; H153-W171 AromaticContact CD2-CG 3.82Å; H153-W171 AromaticContact CG-CD1 3.74Å; H153-W171 AromaticContact CG-CG 3.78Å; H153-W171 AromaticContact CG-NE1 4Å; Q167-W171 PolarHBondContact O-N 3.44Å; G168-W171 PolarHBondContact O-N 2.9Å; W171-A173 VanDerWaalsContact C-N 3.27Å; W171-A173 PolarHBondContact O-N 3.42Å; W171-T174 WeakPolarHBondContact O-CB 3.39Å; W171-T174 PolarHBondContact O-N 3.17Å; W171-T174 PolarHBondContact O-OG1 3.23Å; W171-Q175 HydrophobicContact CD2-CG 4.09Å; W171-Q175 HydrophobicContact CE3-CG 4.28Å; W171-Q175 HydrophobicContact CH2-CG 3.94Å; W171-Q175 HydrophobicContact CZ2-CG 3.7Å; W171-Q175 HydrophobicContact CZ3-CG 4.2Å; W171-Q175 WeakPolarHBondContact O-CG 3.24Å; W171-Q175 PolarHBondContact O-N 2.59Å
172I97.9Very high94.4Very high0 Ų050.1 Ų50.10%028%0.276CS..Hα-helixtrans-53.9-45.8175.3-76.7170.7000110.8F62 F86 I88 L121 G168 L169 T174 Q175F62-I172 HydrophobicContact CE1-CG2 3.58Å; F62-I172 HydrophobicContact CZ-CG2 3.55Å; F86-I172 HydrophobicContact CD1-CB 4.46Å; F86-I172 HydrophobicContact CD1-CG1 4.05Å; F86-I172 HydrophobicContact CD1-CG2 3.97Å; F86-I172 HydrophobicContact CD2-CG2 4.05Å; F86-I172 HydrophobicContact CE1-CB 4.38Å; F86-I172 HydrophobicContact CE1-CG1 4.4Å; F86-I172 HydrophobicContact CE1-CG2 3.82Å; F86-I172 HydrophobicContact CE2-CG2 3.9Å; F86-I172 HydrophobicContact CG-CG2 4.09Å; F86-I172 HydrophobicContact CZ-CG2 3.79Å; I88-I172 HydrophobicContact CD1-CD1 4.06Å; I88-I172 HydrophobicContact CG1-CD1 4.23Å; L121-I172 HydrophobicContact CB-CD1 4.34Å; L121-I172 HydrophobicContact CB-CG1 4.41Å; L121-I172 HydrophobicContact CD2-CD1 3.6Å; L121-I172 HydrophobicContact CD2-CG1 4.03Å; G168-I172 PolarHBondContact O-N 3.46Å; L169-I172 HydrophobicContact CD2-CD1 4.19Å; L169-I172 WeakPolarHBondContact O-CB 3.15Å; L169-I172 PolarHBondContact O-N 3.39Å; I172-T174 PolarHBondContact O-N 3.24Å; I172-Q175 WeakPolarHBondContact O-CB 3.48Å; I172-Q175 PolarHBondContact O-N 3.11Å
173A95.5Very high94.1Very high24 Ų2452.4 Ų52.420%0.19829%0.285CS..Hα-helixtrans-59.9-34.7178.600000112.4L60 L169 D170 W171 Q175 I176L60-A173 HydrophobicContact CD1-CB 3.61Å; L169-A173 PolarHBondContact O-N 3.34Å; D170-A173 WeakPolarHBondContact O-CB 3.38Å; D170-A173 PolarHBondContact O-N 3.03Å; W171-A173 VanDerWaalsContact C-N 3.27Å; W171-A173 PolarHBondContact O-N 3.42Å; A173-Q175 PolarHBondContact O-N 3.17Å; A173-I176 WeakPolarHBondContact O-CG1 3.46Å; A173-I176 PolarHBondContact O-N 2.94Å
174T96Very high93.8Very high71 Ų7146.5 Ų46.544%0.43626%0.26SS..Hα-helixtrans-70.4-16.7175.771.70000114.5D170 W171 I172 R178D170-T174 VanDerWaalsContact O-CG2 3.31Å; D170-T174 WeakPolarHBondContact O-CG2 3.33Å; D170-T174 PolarHBondContact O-N 2.91Å; D170-T174 VanDerWaalsContact O-N 3.08Å; W171-T174 WeakPolarHBondContact O-CB 3.39Å; W171-T174 PolarHBondContact O-N 3.17Å; W171-T174 PolarHBondContact O-OG1 3.23Å; I172-T174 PolarHBondContact O-N 3.24Å; T174-R178 PolarHBondContact O-NE 2.78Å; T174-R178 VanDerWaalsContact O-NE 3.12Å
175Q95.5Very high93.5Very high13 Ų1349.4 Ų49.46%0.06127%0.274CS..THydrogen-bonded Turntrans-89.9-6.9179-57.2-47.3-5800113.2F86 K119 W171 I172 A173 G177 R178F86-Q175 HydrophobicContact CE1-CB 3.81Å; F86-Q175 HydrophobicContact CE1-CG 4.49Å; F86-Q175 HydrophobicContact CZ-CB 4.25Å; K119-Q175 HydrophobicContact CG-CB 4.15Å; K119-Q175 HydrophobicContact CG-CG 4.41Å; W171-Q175 HydrophobicContact CD2-CG 4.09Å; W171-Q175 HydrophobicContact CE3-CG 4.28Å; W171-Q175 HydrophobicContact CH2-CG 3.94Å; W171-Q175 HydrophobicContact CZ2-CG 3.7Å; W171-Q175 HydrophobicContact CZ3-CG 4.2Å; W171-Q175 WeakPolarHBondContact O-CG 3.24Å; W171-Q175 PolarHBondContact O-N 2.59Å; I172-Q175 WeakPolarHBondContact O-CB 3.48Å; I172-Q175 PolarHBondContact O-N 3.11Å; A173-Q175 PolarHBondContact O-N 3.17Å; Q175-G177 PolarHBondContact O-N 3.14Å; Q175-R178 PolarHBondContact O-N 3.32Å
176I88.9Confident93.1Very high44 Ų4453 Ų5323%0.22629%0.294CS..THydrogen-bonded Turntrans-67.5129.9177.9-56.3-67.2000109.8Y17 L60 F86 A173 R178Y17-I176 HydrophobicContact CD1-CD1 3.7Å; Y17-I176 HydrophobicContact CD2-CD1 4.09Å; Y17-I176 HydrophobicContact CE1-CD1 3.51Å; Y17-I176 HydrophobicContact CE1-CG2 4.13Å; Y17-I176 HydrophobicContact CE2-CD1 3.93Å; Y17-I176 HydrophobicContact CE2-CG2 4.46Å; Y17-I176 HydrophobicContact CG-CD1 3.99Å; Y17-I176 WeakPolarHBondContact OH-CG2 3.39Å; L60-I176 HydrophobicContact CD1-CD1 4.32Å; L60-I176 HydrophobicContact CD1-CG1 3.79Å; L60-I176 HydrophobicContact CD2-CG1 4.16Å; L60-I176 HydrophobicContact CD2-CG2 4.48Å; F86-I176 HydrophobicContact CE2-CD1 3.62Å; F86-I176 HydrophobicContact CZ-CD1 3.56Å; F86-I176 HydrophobicContact CZ-CG1 4.49Å; A173-I176 WeakPolarHBondContact O-CG1 3.46Å; A173-I176 PolarHBondContact O-N 2.94Å; I176-R178 VanDerWaalsContact C-N 3.28Å; I176-R178 PolarHBondContact O-N 2.84Å
177G76.8Confident92.6Very high88 Ų8853.3 Ų53.391%0.90729%0.292SS*.THydrogen-bonded Turntrans79.75.1-178.500000115Q175Q175-G177 PolarHBondContact O-N 3.14Å
178R68.3Low92.1Very high215 Ų21549.4 Ų49.481%0.81128%0.278SS*.  trans-99.30171-59.8-174.6-177-173.80.9112.4K119 T174 Q175 I176K119-R178 WeakPolarHBondContact CE-O 3.35Å; K119-R178 PolarHBondContact NZ-O 3.17Å; T174-R178 PolarHBondContact O-NE 2.78Å; T174-R178 VanDerWaalsContact O-NE 3.12Å; Q175-R178 PolarHBondContact O-N 3.32Å; I176-R178 VanDerWaalsContact C-N 3.28Å; I176-R178 PolarHBondContact O-N 2.84Å

Retrieved 178 of 178 residues in 41 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).