A0A3Q0KE42_SCHMA Loading...

Family S12 unassigned peptidase (S12 family)

AlphaFold DB , UniProt , Accession A0A3Q0KE42, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 400 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
1M83.7Confident92.4Very high108 Ų10870.8 Ų70.853%0.53242%0.419SS..  0134.70-178.3-170.617100107.7I13 Y16 K17 T42 I43M1-I13 HydrophobicContact CE-CG2 4.07Å; M1-Y16 HydrophobicContact CE-CD1 3.77Å; M1-Y16 HydrophobicContact CE-CE1 4.28Å; M1-K17 HydrophobicContact CE-CB 3.8Å; M1-K17 HydrophobicContact CE-CG 4.34Å; M1-K17 HydrophobicContact SD-CB 3.62Å; M1-K17 HydrophobicContact SD-CD 4.03Å; M1-K17 HydrophobicContact SD-CG 3.56Å; M1-K17 VanDerWaalsContact SD-CG 3.56Å; M1-T42 WeakPolarHBondContact CE-OG1 2.91Å; M1-I43 WeakPolarHBondContact CA-O 3.47Å; M1-I43 WeakPolarHBondContact CG-O 3.42Å
2S87.5Confident92.7Very high61 Ų6164.9 Ų64.943%0.42738%0.384SS..EExtended strand (participates in β ladder)trans-146.2151.5171.954.10000108.7I43S2-I43 PolarHBondContact N-O 3.43Å; S2-I43 WeakPolarHBondContact O-CG1 3.21Å; S2-I43 PolarHBondContact O-N 3.44Å; S2-I43 VanDerWaalsContact OG-CD1 3.25Å; S2-I43 WeakPolarHBondContact OG-CD1 3.34Å; S2-I43 WeakPolarHBondContact OG-CG1 3.29Å
3G84.7Confident92.9Very high55 Ų5561.8 Ų61.857%0.56736%0.364SS*.EExtended strand (participates in β ladder)trans164.3173.6179.300000112.9D41G3-D41 CarbonylContact C-O 3.58Å; G3-D41 WeakPolarHBondContact CA-O 3.33Å
4S90.7Very high93Very high75 Ų7565.9 Ų65.952%0.52438%0.377SS..EExtended strand (participates in β ladder)trans-138.4147.1179.555.20000110.8I13 D41S4-I13 WeakPolarHBondContact O-CD1 3.41Å; S4-D41 PolarHBondContact N-O 2.94Å; S4-D41 PolarHBondContact O-N 2.61Å
5S94Very high93.3Very high38 Ų3863.3 Ų63.327%0.26636%0.363SS..EExtended strand (participates in β ladder)trans-131158163.964.10000111.1I13 V39S5-I13 VanDerWaalsContact N-CD1 3.27Å; S5-I13 WeakPolarHBondContact OG-CD1 3.27Å; S5-V39 CarbonylContact C-O 3.58Å; S5-V39 WeakPolarHBondContact CA-O 2.98Å; S5-V39 WeakPolarHBondContact CB-O 3.44Å
6S95Very high93.4Very high43 Ų4359.4 Ų59.430%0.30134%0.34SS..  trans-64.7162.1158.877.20000110.6Q8 F9 K10 V39S6-Q8 PolarHBondContact O-N 3.15Å; S6-F9 PolarHBondContact O-N 2.89Å; S6-F9 WeakPolarHBondContact OG-CD2 3.31Å; S6-K10 PolarHBondContact O-N 3.08Å; S6-V39 PolarHBondContact N-O 3.23Å
7T95.6Very high93.5Very high112 Ų11261 Ų6169%0.68734%0.343SS*.SBendtrans-58.8-36.3-179.3-62.40000112.5F9 K10T7-F9 VanDerWaalsContact C-N 3.33Å; T7-F9 PolarHBondContact O-N 3.41Å; T7-K10 WeakPolarHBondContact O-CG 3.4Å
8Q96.8Very high93.6Very high84 Ų8460.7 Ų60.739%0.39334%0.34SS..THydrogen-bonded Turntrans-64.1-37.3-179.5-179.5177.64.700112.3S6 C397S6-Q8 PolarHBondContact O-N 3.15Å; Q8-C397 HydrophobicContact CG-CB 4.43Å; Q8-C397 WeakPolarHBondContact CG-O 3.43Å; Q8-C397 PolarHBondContact NE2-O 3.23Å; Q8-C397 WeakPolarHBondContact O-CB 3.37Å; Q8-C397 PolarHBondContact O-SG 2.91Å
9F96.9Very high93.6Very high0 Ų058.2 Ų58.20%033%0.325CS..THydrogen-bonded Turntrans-101.218.3-173.2-66.8-91.8000113.6S6 T7 H11 A12 Y34 V39 V40 L367 V394 C397 I398S6-F9 PolarHBondContact O-N 2.89Å; S6-F9 WeakPolarHBondContact OG-CD2 3.31Å; T7-F9 VanDerWaalsContact C-N 3.33Å; T7-F9 PolarHBondContact O-N 3.41Å; F9-H11 PolarHBondContact O-N 3.23Å; F9-A12 PolarHBondContact O-N 2.65Å; F9-A12 VanDerWaalsContact O-N 3.14Å; F9-Y34 AromaticContact CE2-CD1 3.72Å; F9-Y34 HydrophobicContact CE2-CD1 3.72Å; F9-Y34 HydrophobicContact CE2-CE1 4.42Å; F9-Y34 HydrophobicContact CE2-CG 4.02Å; F9-Y34 AromaticContact CZ-CD1 3.77Å; F9-Y34 HydrophobicContact CZ-CD1 3.77Å; F9-Y34 HydrophobicContact CZ-CD2 4.29Å; F9-Y34 HydrophobicContact CZ-CE1 4.37Å; F9-Y34 AromaticContact CZ-CG 3.71Å; F9-Y34 HydrophobicContact CZ-CG 3.71Å; F9-V39 HydrophobicContact CD1-CG2 4.41Å; F9-V39 HydrophobicContact CD2-CB 3.66Å; F9-V39 HydrophobicContact CD2-CG1 4.09Å; F9-V39 HydrophobicContact CD2-CG2 3.71Å; F9-V39 HydrophobicContact CE1-CG2 4.48Å; F9-V39 HydrophobicContact CE2-CB 4Å; F9-V39 HydrophobicContact CE2-CG1 4.06Å; F9-V39 HydrophobicContact CE2-CG2 3.8Å; F9-V39 HydrophobicContact CG-CB 4.24Å; F9-V39 HydrophobicContact CG-CG2 4.03Å; F9-V39 HydrophobicContact CZ-CG2 4.18Å; F9-V40 HydrophobicContact CB-CG2 3.59Å; F9-V40 HydrophobicContact CG-CG2 4.29Å; F9-L367 HydrophobicContact CE1-CD1 4.41Å; F9-V394 HydrophobicContact CD1-CG1 4.13Å; F9-V394 HydrophobicContact CE1-CG1 3.86Å; F9-C397 HydrophobicContact CD1-CB 3.62Å; F9-C397 HydrophobicContact CE1-CB 3.83Å; F9-C397 HydrophobicContact CG-CB 4.19Å; F9-I398 HydrophobicContact CE1-CG1 4.13Å; F9-I398 HydrophobicContact CZ-CG1 4.1Å
10K95.8Very high93.6Very high109 Ų10956.6 Ų56.647%0.47432%0.316SS..Hα-helixtrans-54.8-37.6176.6-79179.7175.8-179.60112.9S6 T7 A12 I13 H14S6-K10 PolarHBondContact O-N 3.08Å; T7-K10 WeakPolarHBondContact O-CG 3.4Å; K10-A12 VanDerWaalsContact C-N 3.32Å; K10-A12 PolarHBondContact O-N 2.94Å; K10-I13 PolarHBondContact O-N 2.82Å; K10-H14 PolarHBondContact O-CD2 2.71Å; K10-H14 PolarHBondContact O-N 2.8Å; K10-H14 VanDerWaalsContact O-N 3.11Å
11H96Very high93.6Very high94 Ų9459.9 Ų59.944%0.43533%0.329SS..Hα-helixtrans-59.7-42.1179.4-179.159.7000112.1F9 I13 H14 V15 S396F9-H11 PolarHBondContact O-N 3.23Å; H11-I13 VanDerWaalsContact C-N 3.32Å; H11-I13 PolarHBondContact O-N 2.81Å; H11-H14 WeakPolarHBondContact O-CB 3.35Å; H11-H14 PolarHBondContact O-N 3.3Å; H11-V15 PolarHBondContact O-N 3.23Å; H11-S396 PolarHBondContact CD2-OG 3.38Å
12A96Very high94Very high0 Ų060.6 Ų60.60%033%0.329CS..Hα-helixtrans-61.6-38178.100000113F9 K10 V15 Y16 V40 S393 V394F9-A12 PolarHBondContact O-N 2.65Å; F9-A12 VanDerWaalsContact O-N 3.14Å; K10-A12 VanDerWaalsContact C-N 3.32Å; K10-A12 PolarHBondContact O-N 2.94Å; A12-V15 PolarHBondContact O-N 3.18Å; A12-Y16 WeakPolarHBondContact O-CB 3.32Å; A12-Y16 PolarHBondContact O-N 3.49Å; A12-V40 HydrophobicContact CB-CG2 4.43Å; A12-S393 WeakPolarHBondContact CA-OG 3.5Å; A12-S393 WeakPolarHBondContact CB-OG 3.04Å; A12-V394 HydrophobicContact CB-CG2 3.79Å
13I94.7Very high94Very high25 Ų2563.1 Ų63.113%0.12834%0.338CS..Hα-helixtrans-66.2-39.3173-73.9-164.1000112.1M1 S4 S5 K10 H11 V15 Y16 K17 V40M1-I13 HydrophobicContact CE-CG2 4.07Å; S4-I13 WeakPolarHBondContact O-CD1 3.41Å; S5-I13 VanDerWaalsContact N-CD1 3.27Å; S5-I13 WeakPolarHBondContact OG-CD1 3.27Å; K10-I13 PolarHBondContact O-N 2.82Å; H11-I13 VanDerWaalsContact C-N 3.32Å; H11-I13 PolarHBondContact O-N 2.81Å; I13-V15 VanDerWaalsContact C-N 3.34Å; I13-Y16 PolarHBondContact O-N 3.4Å; I13-K17 VanDerWaalsContact O-CB 3.3Å; I13-K17 WeakPolarHBondContact O-CB 3.33Å; I13-K17 PolarHBondContact O-N 2.68Å; I13-V40 HydrophobicContact CD1-CG1 4.49Å; I13-V40 HydrophobicContact CG1-CG1 4Å
14H95.1Very high94.2Very high119 Ų11963.5 Ų63.555%0.55133%0.327SS*.Hα-helixtrans-63.2-42.5177-71.6-58.7000111.6K10 H11 K17 D18K10-H14 PolarHBondContact O-CD2 2.71Å; K10-H14 PolarHBondContact O-N 2.8Å; K10-H14 VanDerWaalsContact O-N 3.11Å; H11-H14 WeakPolarHBondContact O-CB 3.35Å; H11-H14 PolarHBondContact O-N 3.3Å; H14-K17 PolarHBondContact O-N 3.05Å; H14-D18 WeakPolarHBondContact O-CB 3.42Å; H14-D18 PolarHBondContact O-N 3.46Å
15V96.4Very high94.2Very high26 Ų2660.1 Ų60.116%0.15830%0.302CS..Hα-helixtrans-63.1-47174.9175.60000110.9H11 A12 I13 K17 D18 Q19 L390H11-V15 PolarHBondContact O-N 3.23Å; A12-V15 PolarHBondContact O-N 3.18Å; I13-V15 VanDerWaalsContact C-N 3.34Å; V15-K17 VanDerWaalsContact C-N 3.34Å; V15-K17 PolarHBondContact O-N 3.43Å; V15-D18 WeakPolarHBondContact O-CB 3.33Å; V15-D18 PolarHBondContact O-N 2.98Å; V15-Q19 WeakPolarHBondContact O-CG 3.38Å; V15-Q19 PolarHBondContact O-N 2.98Å; V15-L390 HydrophobicContact CG1-CD2 4.26Å
16Y96.1Very high94.1Very high1 Ų159.8 Ų59.80%0.00430%0.298CS..Hα-helixtrans-57.9-45.6175.7-179.1-89000112.6M1 A12 I13 D18 Q19 I20 S28 F30 T42 G44 L390M1-Y16 HydrophobicContact CE-CD1 3.77Å; M1-Y16 HydrophobicContact CE-CE1 4.28Å; A12-Y16 WeakPolarHBondContact O-CB 3.32Å; A12-Y16 PolarHBondContact O-N 3.49Å; I13-Y16 PolarHBondContact O-N 3.4Å; Y16-D18 VanDerWaalsContact C-N 3.3Å; Y16-D18 PolarHBondContact O-N 3.04Å; Y16-Q19 PolarHBondContact O-N 2.97Å; Y16-I20 HydrophobicContact CD1-CG1 4.35Å; Y16-I20 HydrophobicContact CE1-CD1 4.43Å; Y16-I20 HydrophobicContact CE1-CG1 3.88Å; Y16-I20 PolarHBondContact O-N 3.36Å; Y16-S28 WeakPolarHBondContact CE2-OG 3.17Å; Y16-S28 PolarHBondContact OH-O 2.85Å; Y16-S28 PolarHBondContact OH-OG 2.65Å; Y16-F30 HydrophobicContact CD2-CB 3.81Å; Y16-F30 HydrophobicContact CD2-CG 4.45Å; Y16-F30 HydrophobicContact CE2-CB 3.8Å; Y16-T42 HydrophobicContact CD1-CG2 3.55Å; Y16-T42 VanDerWaalsContact CD1-OG1 3.25Å; Y16-T42 WeakPolarHBondContact CD1-OG1 3.23Å; Y16-T42 HydrophobicContact CD2-CG2 3.86Å; Y16-T42 HydrophobicContact CE1-CG2 3.78Å; Y16-T42 VanDerWaalsContact CE1-OG1 3.23Å; Y16-T42 WeakPolarHBondContact CE1-OG1 3.36Å; Y16-T42 HydrophobicContact CE2-CG2 4.08Å; Y16-T42 HydrophobicContact CG-CG2 3.6Å; Y16-G44 WeakPolarHBondContact OH-CA 3.47Å; Y16-G44 PolarHBondContact OH-N 2.97Å; Y16-L390 HydrophobicContact CD2-CD1 4.22Å; Y16-L390 HydrophobicContact CD2-CD2 3.95Å; Y16-L390 HydrophobicContact CG-CD2 4.35Å
17K95.1Very high94Very high87 Ų8757.8 Ų57.838%0.37828%0.283SS..Hα-helixtrans-58.8-43.8176.9-177.9170.6176.9-177.20111.5M1 I13 H14 V15 I20 Q21M1-K17 HydrophobicContact CE-CB 3.8Å; M1-K17 HydrophobicContact CE-CG 4.34Å; M1-K17 HydrophobicContact SD-CB 3.62Å; M1-K17 HydrophobicContact SD-CD 4.03Å; M1-K17 HydrophobicContact SD-CG 3.56Å; M1-K17 VanDerWaalsContact SD-CG 3.56Å; I13-K17 VanDerWaalsContact O-CB 3.3Å; I13-K17 WeakPolarHBondContact O-CB 3.33Å; I13-K17 PolarHBondContact O-N 2.68Å; H14-K17 PolarHBondContact O-N 3.05Å; V15-K17 VanDerWaalsContact C-N 3.34Å; V15-K17 PolarHBondContact O-N 3.43Å; K17-I20 PolarHBondContact O-N 3.07Å; K17-Q21 VanDerWaalsContact CE-NE2 3.29Å; K17-Q21 HydrophobicContact CG-CG 4.2Å; K17-Q21 WeakPolarHBondContact O-CB 3.24Å; K17-Q21 VanDerWaalsContact O-CG 3.31Å; K17-Q21 WeakPolarHBondContact O-CG 3.4Å; K17-Q21 PolarHBondContact O-N 3.26Å
18D95.3Very high94.1Very high55 Ų5552.4 Ų52.429%0.29425%0.251SS..Hα-helixtrans-62.1-42.3179-175.969.9000111.7H14 V15 Y16 I20 Q21 K22H14-D18 WeakPolarHBondContact O-CB 3.42Å; H14-D18 PolarHBondContact O-N 3.46Å; V15-D18 WeakPolarHBondContact O-CB 3.33Å; V15-D18 PolarHBondContact O-N 2.98Å; Y16-D18 VanDerWaalsContact C-N 3.3Å; Y16-D18 PolarHBondContact O-N 3.04Å; D18-I20 VanDerWaalsContact C-N 3.31Å; D18-I20 PolarHBondContact O-N 3.21Å; D18-Q21 PolarHBondContact O-N 3.37Å; D18-K22 VanDerWaalsContact CG-CE 3.49Å; D18-K22 WeakPolarHBondContact O-CB 3.45Å; D18-K22 WeakPolarHBondContact O-CG 3.36Å; D18-K22 PolarHBondContact O-N 3.16Å; D18-K22 WeakPolarHBondContact OD1-CE 3.49Å; D18-K22 IonicContact OD1-NZ 2.68Å; D18-K22 PolarHBondContact OD1-NZ 3.44Å; D18-K22 WeakPolarHBondContact OD2-CD 3.18Å; D18-K22 VanDerWaalsContact OD2-CE 3.3Å; D18-K22 WeakPolarHBondContact OD2-CE 3.2Å; D18-K22 IonicContact OD2-NZ 3.91Å; D18-K22 PolarHBondContact OD2-NZ 2.83Å
19Q93.7Very high94.1Very high14 Ų1448.6 Ų48.67%0.06523%0.233CC..Hα-helixtrans-59-40.7175.3-64.6-62.6-500112.6V15 Y16 N24 E25 I386 S389V15-Q19 WeakPolarHBondContact O-CG 3.38Å; V15-Q19 PolarHBondContact O-N 2.98Å; Y16-Q19 PolarHBondContact O-N 2.97Å; Q19-N24 WeakPolarHBondContact O-CB 3.39Å; Q19-N24 PolarHBondContact O-N 3.29Å; Q19-N24 PolarHBondContact OE1-ND2 2.8Å; Q19-E25 HydrophobicContact CB-CB 4.31Å; Q19-E25 PolarHBondContact O-N 2.72Å; Q19-I386 HydrophobicContact CB-CG2 4.43Å; Q19-I386 HydrophobicContact CG-CG2 4.15Å; Q19-S389 PolarHBondContact NE2-OG 3.34Å
20I93.8Very high94.1Very high25 Ų2548.7 Ų48.713%0.12823%0.234CC..Hα-helixtrans-69.9-46175.9-59.7-66.3000111.4Y16 K17 D18 K22 N23 E25Y16-I20 HydrophobicContact CD1-CG1 4.35Å; Y16-I20 HydrophobicContact CE1-CD1 4.43Å; Y16-I20 HydrophobicContact CE1-CG1 3.88Å; Y16-I20 PolarHBondContact O-N 3.36Å; K17-I20 PolarHBondContact O-N 3.07Å; D18-I20 VanDerWaalsContact C-N 3.31Å; D18-I20 PolarHBondContact O-N 3.21Å; I20-K22 VanDerWaalsContact C-N 3.34Å; I20-K22 PolarHBondContact O-N 2.99Å; I20-N23 PolarHBondContact O-N 3.01Å; I20-N23 VanDerWaalsContact O-N 3.11Å; I20-E25 HydrophobicContact CD1-CB 3.87Å; I20-E25 HydrophobicContact CD1-CG 3.58Å
21Q93.7Very high94.3Very high127 Ų12743.5 Ų43.559%0.59321%0.211SC*.Hα-helixtrans-67.7-33.1-176.4-73.8-177.4-44.400113K17 D18 N23K17-Q21 VanDerWaalsContact CE-NE2 3.29Å; K17-Q21 HydrophobicContact CG-CG 4.2Å; K17-Q21 WeakPolarHBondContact O-CB 3.24Å; K17-Q21 VanDerWaalsContact O-CG 3.31Å; K17-Q21 WeakPolarHBondContact O-CG 3.4Å; K17-Q21 PolarHBondContact O-N 3.26Å; D18-Q21 PolarHBondContact O-N 3.37Å; Q21-N23 PolarHBondContact O-N 3.34Å
22K91.3Very high94.4Very high123 Ų12339 Ų3954%0.53519%0.19SC..THydrogen-bonded Turntrans-78.6-1174.6-71177175.6160.60113.4D18 I20 N24D18-K22 VanDerWaalsContact CG-CE 3.49Å; D18-K22 WeakPolarHBondContact O-CB 3.45Å; D18-K22 WeakPolarHBondContact O-CG 3.36Å; D18-K22 PolarHBondContact O-N 3.16Å; D18-K22 WeakPolarHBondContact OD1-CE 3.49Å; D18-K22 IonicContact OD1-NZ 2.68Å; D18-K22 PolarHBondContact OD1-NZ 3.44Å; D18-K22 WeakPolarHBondContact OD2-CD 3.18Å; D18-K22 VanDerWaalsContact OD2-CE 3.3Å; D18-K22 WeakPolarHBondContact OD2-CE 3.2Å; D18-K22 IonicContact OD2-NZ 3.91Å; D18-K22 PolarHBondContact OD2-NZ 2.83Å; I20-K22 VanDerWaalsContact C-N 3.34Å; I20-K22 PolarHBondContact O-N 2.99Å; K22-N24 PolarHBondContact O-N 3.02Å
23N87.9Confident94.4Very high114 Ų11440 Ų4061%0.6119%0.194SC*.THydrogen-bonded Turntrans5924.1-172.9-57.9-64.5000114I20 Q21 L26I20-N23 PolarHBondContact O-N 3.01Å; I20-N23 VanDerWaalsContact O-N 3.11Å; Q21-N23 PolarHBondContact O-N 3.34Å; N23-L26 HydrophobicContact CB-CD2 4.11Å
24N88.3Confident94.4Very high63 Ų6339.9 Ų39.934%0.33719%0.192SC..SBendtrans-72.2-46.2171.6-68.7-16.4000109.7Q19 K22 F385 I386Q19-N24 WeakPolarHBondContact O-CB 3.39Å; Q19-N24 PolarHBondContact O-N 3.29Å; Q19-N24 PolarHBondContact OE1-ND2 2.8Å; K22-N24 PolarHBondContact O-N 3.02Å; N24-F385 HydrophobicContact CB-CE2 3.97Å; N24-F385 HydrophobicContact CB-CZ 4.36Å; N24-I386 HydrophobicContact CB-CD1 4.1Å; N24-I386 HydrophobicContact CB-CG1 4.27Å; N24-I386 VanDerWaalsContact O-CD1 3.28Å; N24-I386 WeakPolarHBondContact O-CD1 3.46Å
25E90.7Very high94.3Very high3 Ų341 Ų411%0.01419%0.192CC..  trans-106134.8168.8176.155.4-85.500109.7Q19 I20 G27 S28 Y371 T373 H375 H377 I386Q19-E25 HydrophobicContact CB-CB 4.31Å; Q19-E25 PolarHBondContact O-N 2.72Å; I20-E25 HydrophobicContact CD1-CB 3.87Å; I20-E25 HydrophobicContact CD1-CG 3.58Å; E25-G27 PolarHBondContact OE1-N 2.91Å; E25-S28 VanDerWaalsContact CG-OG 3.26Å; E25-S28 WeakPolarHBondContact CG-OG 3.39Å; E25-S28 WeakPolarHBondContact OE2-CB 3.28Å; E25-Y371 PolarHBondContact OE2-OH 3.38Å; E25-T373 PolarHBondContact OE1-OG1 3.01Å; E25-T373 VanDerWaalsContact OE2-CB 3.27Å; E25-T373 WeakPolarHBondContact OE2-CB 3.17Å; E25-T373 PolarHBondContact OE2-OG1 2.85Å; E25-H375 IonicContact OE1-ND1 2.65Å; E25-H377 IonicContact OE1-CE1 3.49Å; E25-H377 IonicContact OE2-CE1 2.62Å; E25-H377 PolarHBondContact OE2-CE1 3.3Å; E25-H377 IonicContact OE2-NE2 3.65Å; E25-H377 PolarHBondContact OE2-NE2 3.32Å; E25-H377 VanDerWaalsContact OE2-NE2 3.08Å; E25-I386 HydrophobicContact CB-CD1 4.3Å; E25-I386 HydrophobicContact CB-CG2 4.37Å
26L91.1Very high93.9Very high32 Ų3240.5 Ų40.517%0.16819%0.192CC..SBendtrans-112-13.9-173-63.9174.5000113.2N23 G45 Y46 K49 H375N23-L26 HydrophobicContact CB-CD2 4.11Å; L26-G45 CarbonylContact O-C 3.54Å; L26-G45 WeakPolarHBondContact O-CA 3.49Å; L26-Y46 PolarHBondContact O-N 3.12Å; L26-K49 HydrophobicContact CD1-CD 4.06Å; L26-K49 VanDerWaalsContact CD1-NZ 3.31Å; L26-H375 WeakPolarHBondContact CB-CE1 3.41Å; L26-H375 WeakPolarHBondContact CB-NE2 3.43Å
27G94.7Very high93.7Very high0 Ų045.3 Ų45.30%021%0.214CC..EExtended strand (participates in β ladder)trans-175.8112.8176.200000112.5E25 G44 W55 T373 N374E25-G27 PolarHBondContact OE1-N 2.91Å; G27-G44 WeakPolarHBondContact CA-O 3.34Å; G27-W55 VanDerWaalsContact C-CE3 3.45Å; G27-W55 VanDerWaalsContact C-CZ3 3.4Å; G27-W55 WeakPolarHBondContact O-CZ3 3.37Å; G27-T373 WeakPolarHBondContact O-CA 3.49Å; G27-T373 PolarHBondContact O-OG1 3.25Å; G27-N374 VanDerWaalsContact CA-OD1 3.31Å; G27-N374 WeakPolarHBondContact CA-OD1 3.45Å; G27-N374 PolarHBondContact O-N 3.36Å; G27-N374 VanDerWaalsContact O-N 3.17Å; G27-N374 PolarHBondContact O-OD1 2.96Å
28S96.3Very high93.7Very high0 Ų044.2 Ų44.20%021%0.211CC..EExtended strand (participates in β ladder)trans-160.3172.7179.165.80000114.3Y16 E25 I43 G44 V372Y16-S28 WeakPolarHBondContact CE2-OG 3.17Å; Y16-S28 PolarHBondContact OH-O 2.85Å; Y16-S28 PolarHBondContact OH-OG 2.65Å; E25-S28 VanDerWaalsContact CG-OG 3.26Å; E25-S28 WeakPolarHBondContact CG-OG 3.39Å; E25-S28 WeakPolarHBondContact OE2-CB 3.28Å; S28-I43 WeakPolarHBondContact O-CA 3.24Å; S28-G44 PolarHBondContact N-O 3.37Å; S28-G44 PolarHBondContact O-N 2.73Å; S28-G44 VanDerWaalsContact O-N 3.07Å; S28-V372 CarbonylContact C-O 3.54Å; S28-V372 VanDerWaalsContact CA-O 3.22Å; S28-V372 WeakPolarHBondContact CA-O 3.38Å; S28-V372 VanDerWaalsContact CB-O 3.25Å; S28-V372 WeakPolarHBondContact CB-O 3.41Å
29S97.3Very high93.8Very high4 Ų442.1 Ų42.13%0.02820%0.2CC..EExtended strand (participates in β ladder)trans-128.2145.116462.30000110T42 A275 V372S29-T42 CarbonylContact C-O 3.36Å; S29-T42 WeakPolarHBondContact CA-O 3.21Å; S29-A275 WeakPolarHBondContact O-CB 3.35Å; S29-A275 VanDerWaalsContact OG-CB 3.29Å; S29-A275 WeakPolarHBondContact OG-CB 3.29Å; S29-A275 PolarHBondContact OG-N 2.51Å; S29-A275 VanDerWaalsContact OG-N 3.1Å; S29-V372 PolarHBondContact N-O 3.49Å; S29-V372 PolarHBondContact O-N 3.39Å
30F97.9Very high94Very high1 Ų141.5 Ų41.50%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-137.1132.8176.9-177.6-120.3000109.7Y16 V32 V40 T42 W369 A370 Y371 L390 V394Y16-F30 HydrophobicContact CD2-CB 3.81Å; Y16-F30 HydrophobicContact CD2-CG 4.45Å; Y16-F30 HydrophobicContact CE2-CB 3.8Å; F30-V32 HydrophobicContact CD1-CG2 4.37Å; F30-V32 HydrophobicContact CE1-CG2 3.6Å; F30-V32 HydrophobicContact CE2-CG2 4.34Å; F30-V32 HydrophobicContact CZ-CG2 3.6Å; F30-V40 HydrophobicContact CD1-CG1 4.09Å; F30-V40 HydrophobicContact CE1-CG1 4.41Å; F30-T42 HydrophobicContact CB-CG2 3.79Å; F30-T42 HydrophobicContact CD1-CG2 4.29Å; F30-T42 PolarHBondContact N-O 3.41Å; F30-T42 PolarHBondContact O-N 3.43Å; F30-W369 HydrophobicContact CE2-CB 4.25Å; F30-W369 HydrophobicContact CZ-CB 4.43Å; F30-A370 WeakPolarHBondContact CA-O 3.44Å; F30-A370 WeakPolarHBondContact CD2-O 3.36Å; F30-Y371 HydrophobicContact CB-CD2 4.24Å; F30-Y371 HydrophobicContact CD2-CD2 4.13Å; F30-L390 HydrophobicContact CD2-CD1 4.28Å; F30-L390 HydrophobicContact CE1-CB 4.36Å; F30-L390 HydrophobicContact CE2-CB 4.26Å; F30-L390 HydrophobicContact CG-CD1 4.36Å; F30-L390 HydrophobicContact CZ-CB 4.04Å; F30-V394 HydrophobicContact CE1-CG2 3.81Å; F30-V394 HydrophobicContact CZ-CG2 3.71Å
31S98.1Very high94.2Very high0 Ų041.4 Ų41.40%020%0.197CC..EExtended strand (participates in β ladder)trans-138.5142.8-178.11760000110.9H38 V40 W369 A370S31-H38 PolarHBondContact OG-CD2 2.58Å; S31-H38 PolarHBondContact OG-NE2 3.15Å; S31-V40 CarbonylContact C-O 3.52Å; S31-V40 VanDerWaalsContact CA-O 3.25Å; S31-V40 WeakPolarHBondContact CA-O 3.22Å; S31-W369 CarbonylContact O-C 3.55Å; S31-W369 WeakPolarHBondContact O-CA 3.17Å; S31-A370 PolarHBondContact N-O 3.17Å; S31-A370 PolarHBondContact O-N 2.98Å
32V98.3Very high94.3Very high0 Ų035.4 Ų35.40%017%0.169CC..EExtended strand (participates in β ladder)trans-135.8130179.3-175.40000109.7F30 V39 V40 L367 T368 W369 V394F30-V32 HydrophobicContact CD1-CG2 4.37Å; F30-V32 HydrophobicContact CE1-CG2 3.6Å; F30-V32 HydrophobicContact CE2-CG2 4.34Å; F30-V32 HydrophobicContact CZ-CG2 3.6Å; V32-V39 HydrophobicContact CB-CG2 4.01Å; V32-V39 HydrophobicContact CG1-CG2 3.75Å; V32-V39 WeakPolarHBondContact O-CG2 3.42Å; V32-V39 PolarHBondContact O-N 2.68Å; V32-V40 HydrophobicContact CB-CB 3.8Å; V32-V40 HydrophobicContact CB-CG2 4.06Å; V32-V40 HydrophobicContact CG2-CB 3.84Å; V32-V40 HydrophobicContact CG2-CG1 4.46Å; V32-V40 HydrophobicContact CG2-CG2 4.1Å; V32-V40 PolarHBondContact N-O 3.07Å; V32-V40 PolarHBondContact O-N 2.82Å; V32-L367 HydrophobicContact CG1-CD1 3.53Å; V32-L367 HydrophobicContact CG1-CG 4.46Å; V32-T368 CarbonylContact C-O 3.59Å; V32-T368 VanDerWaalsContact CA-O 3.27Å; V32-T368 WeakPolarHBondContact CA-O 3.28Å; V32-W369 HydrophobicContact CG2-CB 4.13Å; V32-V394 HydrophobicContact CG1-CG1 3.82Å; V32-V394 HydrophobicContact CG2-CG1 4.32Å; V32-V394 HydrophobicContact CG2-CG2 3.74Å
33Y96.6Very high94.6Very high22 Ų2230 Ų309%0.08615%0.145CC..EExtended strand (participates in β ladder)trans-107.8136.2166.1-74.2-103.5000109.5E37 H38 A279 R280 T283 L367 T368Y33-E37 CarbonylContact C-O 3.54Å; Y33-E37 WeakPolarHBondContact CA-O 3.36Å; Y33-H38 HydrophobicContact CD1-CB 3.99Å; Y33-H38 AromaticContact CD2-CD2 3.88Å; Y33-H38 HydrophobicContact CE1-CB 3.54Å; Y33-H38 AromaticContact CE1-CG 3.96Å; Y33-H38 HydrophobicContact CE2-CB 4.42Å; Y33-H38 AromaticContact CE2-CD2 3.45Å; Y33-H38 VanDerWaalsContact CE2-CD2 3.45Å; Y33-H38 WeakPolarHBondContact CE2-CD2 3.11Å; Y33-H38 AromaticContact CE2-CG 3.99Å; Y33-H38 AromaticContact CE2-NE2 3.92Å; Y33-H38 AromaticContact CZ-CD2 3.62Å; Y33-H38 AromaticContact CZ-CG 3.64Å; Y33-A279 HydrophobicContact CD2-CB 3.77Å; Y33-A279 HydrophobicContact CE2-CB 3.98Å; Y33-R280 HydrophobicContact CE2-CB 4.17Å; Y33-T283 HydrophobicContact CD1-CG2 3.78Å; Y33-T283 HydrophobicContact CD2-CG2 4.15Å; Y33-T283 HydrophobicContact CE1-CG2 4.37Å; Y33-T283 HydrophobicContact CG-CG2 3.65Å; Y33-L367 WeakPolarHBondContact O-CA 3.41Å; Y33-T368 PolarHBondContact N-O 2.93Å; Y33-T368 PolarHBondContact O-N 3.45Å
34Y95.4Very high95Very high22 Ų2224.6 Ų24.69%0.08612%0.117CC..EExtended strand (participates in β ladder)trans-134.2117.3176.7177.8-119.1000109.4F9 G36 E37 L365 Q366 L367 I398F9-Y34 AromaticContact CE2-CD1 3.72Å; F9-Y34 HydrophobicContact CE2-CD1 3.72Å; F9-Y34 HydrophobicContact CE2-CE1 4.42Å; F9-Y34 HydrophobicContact CE2-CG 4.02Å; F9-Y34 AromaticContact CZ-CD1 3.77Å; F9-Y34 HydrophobicContact CZ-CD1 3.77Å; F9-Y34 HydrophobicContact CZ-CD2 4.29Å; F9-Y34 HydrophobicContact CZ-CE1 4.37Å; F9-Y34 AromaticContact CZ-CG 3.71Å; F9-Y34 HydrophobicContact CZ-CG 3.71Å; Y34-G36 VanDerWaalsContact C-N 3.31Å; Y34-G36 PolarHBondContact O-N 2.88Å; Y34-E37 PolarHBondContact N-O 3.27Å; Y34-E37 WeakPolarHBondContact O-CB 3.24Å; Y34-E37 PolarHBondContact O-N 2.82Å; Y34-E37 VanDerWaalsContact O-N 3.1Å; Y34-L365 WeakPolarHBondContact CE2-O 3.47Å; Y34-Q366 CarbonylContact C-O 3.38Å; Y34-Q366 WeakPolarHBondContact CA-O 3.15Å; Y34-L367 HydrophobicContact CD2-CB 4.35Å; Y34-L367 HydrophobicContact CD2-CD1 3.94Å; Y34-L367 HydrophobicContact CG-CD1 4.37Å; Y34-I398 HydrophobicContact CD2-CD1 4.33Å; Y34-I398 HydrophobicContact CE2-CD1 4.11Å; Y34-I398 HydrophobicContact CE2-CG1 4.27Å; Y34-I398 HydrophobicContact CE2-CG2 4.42Å
35R92.4Very high95.4Very high142 Ų14222.3 Ų22.354%0.53611%0.108SC..THydrogen-bonded Turntrans52.946.9-176-57.6178.5178.4-173.9-0.5112E37 L291 Q366R35-E37 PolarHBondContact O-N 2.86Å; R35-L291 WeakPolarHBondContact O-CD2 3.49Å; R35-Q366 HydrophobicContact CG-CB 4.09Å; R35-Q366 PolarHBondContact N-O 3.29Å
36G88.3Confident95.6Very high16 Ų1626.2 Ų26.217%0.16512%0.123CC..THydrogen-bonded Turntrans77.5-11.7-177.400000116.2Y34 E286Y34-G36 VanDerWaalsContact C-N 3.31Å; Y34-G36 PolarHBondContact O-N 2.88Å; G36-E286 WeakPolarHBondContact CA-OE2 3.45Å; G36-E286 PolarHBondContact N-OE2 3.47Å
37E92.6Very high95.7Very high101 Ų10125.5 Ų25.547%0.47212%0.12SC..EExtended strand (participates in β ladder)trans-91.1134.7-178.7-69.3-62.4152.600111.7Y33 Y34 R35 V39 T294Y33-E37 CarbonylContact C-O 3.54Å; Y33-E37 WeakPolarHBondContact CA-O 3.36Å; Y34-E37 PolarHBondContact N-O 3.27Å; Y34-E37 WeakPolarHBondContact O-CB 3.24Å; Y34-E37 PolarHBondContact O-N 2.82Å; Y34-E37 VanDerWaalsContact O-N 3.1Å; R35-E37 PolarHBondContact O-N 2.86Å; E37-V39 HydrophobicContact CB-CG1 4.12Å; E37-V39 PolarHBondContact O-N 2.92Å; E37-V39 VanDerWaalsContact O-N 3.11Å; E37-T294 WeakPolarHBondContact OE1-CG2 3.32Å
38H94.8Very high95.6Very high65 Ų6526.1 Ų26.130%0.30112%0.124SC..EExtended strand (participates in β ladder)trans-77.596.3175.3-169-159.3000109.9S31 Y33 V40 D41S31-H38 PolarHBondContact OG-CD2 2.58Å; S31-H38 PolarHBondContact OG-NE2 3.15Å; Y33-H38 HydrophobicContact CD1-CB 3.99Å; Y33-H38 AromaticContact CD2-CD2 3.88Å; Y33-H38 HydrophobicContact CE1-CB 3.54Å; Y33-H38 AromaticContact CE1-CG 3.96Å; Y33-H38 HydrophobicContact CE2-CB 4.42Å; Y33-H38 AromaticContact CE2-CD2 3.45Å; Y33-H38 VanDerWaalsContact CE2-CD2 3.45Å; Y33-H38 WeakPolarHBondContact CE2-CD2 3.11Å; Y33-H38 AromaticContact CE2-CG 3.99Å; Y33-H38 AromaticContact CE2-NE2 3.92Å; Y33-H38 AromaticContact CZ-CD2 3.62Å; Y33-H38 AromaticContact CZ-CG 3.64Å; H38-V40 PolarHBondContact CD2-O 2.79Å; H38-V40 PolarHBondContact NE2-O 3.39Å; H38-D41 WeakPolarHBondContact CE1-CB 3.43Å; H38-D41 IonicContact CE1-OD2 3.08Å; H38-D41 PolarHBondContact CE1-OD2 3.15Å; H38-D41 VanDerWaalsContact CE1-OD2 3.24Å
39V97.2Very high95.2Very high11 Ų1130.9 Ų30.97%0.06714%0.144CC..EExtended strand (participates in β ladder)trans-98.5-19.1-168.1-68.70000114.7S5 S6 F9 V32 E37S5-V39 CarbonylContact C-O 3.58Å; S5-V39 WeakPolarHBondContact CA-O 2.98Å; S5-V39 WeakPolarHBondContact CB-O 3.44Å; S6-V39 PolarHBondContact N-O 3.23Å; F9-V39 HydrophobicContact CD1-CG2 4.41Å; F9-V39 HydrophobicContact CD2-CB 3.66Å; F9-V39 HydrophobicContact CD2-CG1 4.09Å; F9-V39 HydrophobicContact CD2-CG2 3.71Å; F9-V39 HydrophobicContact CE1-CG2 4.48Å; F9-V39 HydrophobicContact CE2-CB 4Å; F9-V39 HydrophobicContact CE2-CG1 4.06Å; F9-V39 HydrophobicContact CE2-CG2 3.8Å; F9-V39 HydrophobicContact CG-CB 4.24Å; F9-V39 HydrophobicContact CG-CG2 4.03Å; F9-V39 HydrophobicContact CZ-CG2 4.18Å; V32-V39 HydrophobicContact CB-CG2 4.01Å; V32-V39 HydrophobicContact CG1-CG2 3.75Å; V32-V39 WeakPolarHBondContact O-CG2 3.42Å; V32-V39 PolarHBondContact O-N 2.68Å; E37-V39 HydrophobicContact CB-CG1 4.12Å; E37-V39 PolarHBondContact O-N 2.92Å; E37-V39 VanDerWaalsContact O-N 3.11Å
40V98Very high94.7Very high1 Ų140.1 Ų40.11%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-139.5131.4172.4179.90000108.6F9 A12 I13 F30 S31 V32 H38 T42F9-V40 HydrophobicContact CB-CG2 3.59Å; F9-V40 HydrophobicContact CG-CG2 4.29Å; A12-V40 HydrophobicContact CB-CG2 4.43Å; I13-V40 HydrophobicContact CD1-CG1 4.49Å; I13-V40 HydrophobicContact CG1-CG1 4Å; F30-V40 HydrophobicContact CD1-CG1 4.09Å; F30-V40 HydrophobicContact CE1-CG1 4.41Å; S31-V40 CarbonylContact C-O 3.52Å; S31-V40 VanDerWaalsContact CA-O 3.25Å; S31-V40 WeakPolarHBondContact CA-O 3.22Å; V32-V40 HydrophobicContact CB-CB 3.8Å; V32-V40 HydrophobicContact CB-CG2 4.06Å; V32-V40 HydrophobicContact CG2-CB 3.84Å; V32-V40 HydrophobicContact CG2-CG1 4.46Å; V32-V40 HydrophobicContact CG2-CG2 4.1Å; V32-V40 PolarHBondContact N-O 3.07Å; V32-V40 PolarHBondContact O-N 2.82Å; H38-V40 PolarHBondContact CD2-O 2.79Å; H38-V40 PolarHBondContact NE2-O 3.39Å; V40-T42 HydrophobicContact CG1-CG2 4.19Å
41D97.1Very high94.5Very high23 Ų2346.3 Ų46.312%0.12321%0.206CC..EExtended strand (participates in β ladder)trans-145.3105.5174.3-1716.2000108.7G3 S4 H38 R276G3-D41 CarbonylContact C-O 3.58Å; G3-D41 WeakPolarHBondContact CA-O 3.33Å; S4-D41 PolarHBondContact N-O 2.94Å; S4-D41 PolarHBondContact O-N 2.61Å; H38-D41 WeakPolarHBondContact CE1-CB 3.43Å; H38-D41 IonicContact CE1-OD2 3.08Å; H38-D41 PolarHBondContact CE1-OD2 3.15Å; H38-D41 VanDerWaalsContact CE1-OD2 3.24Å; D41-R276 IonicContact OD1-CZ 2.68Å; D41-R276 IonicContact OD1-NE 2.58Å; D41-R276 PolarHBondContact OD1-NE 2.98Å; D41-R276 IonicContact OD1-NH2 2.65Å; D41-R276 IonicContact OD2-CZ 3.23Å; D41-R276 IonicContact OD2-NE 2.82Å; D41-R276 PolarHBondContact OD2-NE 2.9Å; D41-R276 IonicContact OD2-NH2 2.73Å; D41-R276 PolarHBondContact OD2-NH2 3.22Å
42T97Very high94.1Very high1 Ų155.1 Ų55.11%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-141.1146-173.2-175.90000112.6M1 Y16 S29 F30 V40M1-T42 WeakPolarHBondContact CE-OG1 2.91Å; Y16-T42 HydrophobicContact CD1-CG2 3.55Å; Y16-T42 VanDerWaalsContact CD1-OG1 3.25Å; Y16-T42 WeakPolarHBondContact CD1-OG1 3.23Å; Y16-T42 HydrophobicContact CD2-CG2 3.86Å; Y16-T42 HydrophobicContact CE1-CG2 3.78Å; Y16-T42 VanDerWaalsContact CE1-OG1 3.23Å; Y16-T42 WeakPolarHBondContact CE1-OG1 3.36Å; Y16-T42 HydrophobicContact CE2-CG2 4.08Å; Y16-T42 HydrophobicContact CG-CG2 3.6Å; S29-T42 CarbonylContact C-O 3.36Å; S29-T42 WeakPolarHBondContact CA-O 3.21Å; F30-T42 HydrophobicContact CB-CG2 3.79Å; F30-T42 HydrophobicContact CD1-CG2 4.29Å; F30-T42 PolarHBondContact N-O 3.41Å; F30-T42 PolarHBondContact O-N 3.43Å; V40-T42 HydrophobicContact CG1-CG2 4.19Å
43I97.3Very high93.9Very high9 Ų959.6 Ų59.65%0.04626%0.262CS..EExtended strand (participates in β ladder)trans-134.2148.517561173.6000110.8M1 S2 S28 W55 T57M1-I43 WeakPolarHBondContact CA-O 3.47Å; M1-I43 WeakPolarHBondContact CG-O 3.42Å; S2-I43 PolarHBondContact N-O 3.43Å; S2-I43 WeakPolarHBondContact O-CG1 3.21Å; S2-I43 PolarHBondContact O-N 3.44Å; S2-I43 VanDerWaalsContact OG-CD1 3.25Å; S2-I43 WeakPolarHBondContact OG-CD1 3.34Å; S2-I43 WeakPolarHBondContact OG-CG1 3.29Å; S28-I43 WeakPolarHBondContact O-CA 3.24Å; I43-W55 HydrophobicContact CB-CG 4.31Å; I43-T57 HydrophobicContact CD1-CG2 3.82Å
44G96.3Very high93.9Very high1 Ų162.7 Ų62.71%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-160.8162.2-173.300000112.8Y16 G27 S28 W55Y16-G44 WeakPolarHBondContact OH-CA 3.47Å; Y16-G44 PolarHBondContact OH-N 2.97Å; G27-G44 WeakPolarHBondContact CA-O 3.34Å; S28-G44 PolarHBondContact N-O 3.37Å; S28-G44 PolarHBondContact O-N 2.73Å; S28-G44 VanDerWaalsContact O-N 3.07Å; G44-W55 WeakPolarHBondContact O-CB 3.22Å
45G95.9Very high93.9Very high15 Ų1562.2 Ų62.216%0.15528%0.283CS..EExtended strand (participates in β ladder)trans72.6-145.8178.800000113.8L26 W55L26-G45 CarbonylContact O-C 3.54Å; L26-G45 WeakPolarHBondContact O-CA 3.49Å; G45-W55 PolarHBondContact O-N 3.41Å
46Y94.9Very high94.1Very high84 Ų8458.6 Ų58.633%0.32928%0.277SS..EExtended strand (participates in β ladder)trans-126.6135.5-166.7-56-76.3000112.6L26 D48 R52 L53 N374L26-Y46 PolarHBondContact O-N 3.12Å; Y46-D48 VanDerWaalsContact C-N 3.3Å; Y46-R52 VanDerWaalsContact CD1-C 3.42Å; Y46-R52 HydrophobicContact CD1-CB 4.07Å; Y46-R52 WeakPolarHBondContact CD1-O 3.29Å; Y46-R52 HydrophobicContact CE1-CB 3.76Å; Y46-R52 HydrophobicContact CE1-CG 4.33Å; Y46-L53 CarbonylContact C-O 3.6Å; Y46-L53 WeakPolarHBondContact CA-O 3.42Å; Y46-L53 WeakPolarHBondContact CB-O 3.3Å; Y46-N374 PolarHBondContact O-ND2 3.23Å
47V94.7Very high94.4Very high17 Ų1761.7 Ų61.710%0.10329%0.292CS..EExtended strand (participates in β ladder)trans-65.5-39166.7-175.30000110.3L53 P54 W55 T59 A203 R204 N374V47-L53 PolarHBondContact N-O 3.21Å; V47-P54 WeakPolarHBondContact CG2-O 3.37Å; V47-W55 HydrophobicContact CG2-CB 4.41Å; V47-T59 HydrophobicContact CG1-CG2 4.16Å; V47-T59 HydrophobicContact CG2-CG2 3.8Å; V47-T59 WeakPolarHBondContact CG2-OG1 3.39Å; V47-A203 HydrophobicContact CG1-CB 4.09Å; V47-R204 PolarHBondContact O-N 3.47Å; V47-N374 PolarHBondContact O-ND2 3.39Å; V47-N374 VanDerWaalsContact O-ND2 3.09Å
48D92.6Very high94.5Very high14 Ų1459.4 Ų59.48%0.07529%0.288CS..EExtended strand (participates in β ladder)trans-137.4111.5173.7-172.3-40.2000108.7Y46 R50 F51 R52 L53 R204 Y206Y46-D48 VanDerWaalsContact C-N 3.3Å; D48-R50 VanDerWaalsContact C-N 3.32Å; D48-R50 PolarHBondContact O-N 3.37Å; D48-R50 WeakPolarHBondContact OD1-CA 3.33Å; D48-R50 WeakPolarHBondContact OD1-CB 3.48Å; D48-R50 PolarHBondContact OD1-N 2.85Å; D48-F51 PolarHBondContact OD1-N 3.09Å; D48-F51 WeakPolarHBondContact OD2-CD2 3.48Å; D48-R52 VanDerWaalsContact O-CA 3.31Å; D48-R52 WeakPolarHBondContact O-CA 3.19Å; D48-R52 PolarHBondContact O-N 3.21Å; D48-L53 HydrophobicContact CB-CB 4.49Å; D48-L53 HydrophobicContact CB-CD1 4.39Å; D48-L53 PolarHBondContact O-N 3.41Å; D48-R204 IonicContact OD1-NH1 3.83Å; D48-R204 IonicContact OD2-CZ 2.61Å; D48-R204 VanDerWaalsContact OD2-CZ 3.26Å; D48-R204 IonicContact OD2-NE 3.15Å; D48-R204 IonicContact OD2-NH1 3.84Å; D48-R204 PolarHBondContact OD2-NH1 2.96Å; D48-R204 IonicContact OD2-NH2 2.79Å; D48-Y206 PolarHBondContact OD1-OH 3.13Å; D48-Y206 VanDerWaalsContact OD1-OH 3.14Å
49K87.5Confident94.7Very high100 Ų10056.5 Ų56.544%0.43528%0.275SS..THydrogen-bonded Turntrans-65-33.5178.6-175.1-176.5-177.1176.60112.6L26 R52 Y206L26-K49 HydrophobicContact CD1-CD 4.06Å; L26-K49 VanDerWaalsContact CD1-NZ 3.31Å; K49-R52 PolarHBondContact O-N 3.35Å; K49-Y206 HydrophobicContact CB-CE1 4.34Å; K49-Y206 HydrophobicContact CB-CE2 4.13Å; K49-Y206 PolarHBondContact N-OH 3.33Å
50R87.2Confident94.6Very high197 Ų19756 Ų5674%0.74327%0.272SS*.THydrogen-bonded Turntrans-66.7-43-178.2-179.5-178.8177.4172.1-0.3110.5D48D48-R50 VanDerWaalsContact C-N 3.32Å; D48-R50 PolarHBondContact O-N 3.37Å; D48-R50 WeakPolarHBondContact OD1-CA 3.33Å; D48-R50 WeakPolarHBondContact OD1-CB 3.48Å; D48-R50 PolarHBondContact OD1-N 2.85Å
51F91.9Very high94.5Very high131 Ų13156 Ų5658%0.57527%0.271SS*.THydrogen-bonded Turntrans-94.7-0.5178.1-63.2-68.3000113.6D48 L53D48-F51 PolarHBondContact OD1-N 3.09Å; D48-F51 WeakPolarHBondContact OD2-CD2 3.48Å; F51-L53 HydrophobicContact CB-CD1 4.35Å; F51-L53 HydrophobicContact CB-CG 3.96Å; F51-L53 PolarHBondContact O-N 3.44Å
52R90.9Very high94.3Very high185 Ų18555.2 Ų55.270%0.69827%0.267SS*.THydrogen-bonded Turntrans51.637.6-176.7-60.1-175.8179.3-176.9-0.5112.9Y46 D48 K49Y46-R52 VanDerWaalsContact CD1-C 3.42Å; Y46-R52 HydrophobicContact CD1-CB 4.07Å; Y46-R52 WeakPolarHBondContact CD1-O 3.29Å; Y46-R52 HydrophobicContact CE1-CB 3.76Å; Y46-R52 HydrophobicContact CE1-CG 4.33Å; D48-R52 VanDerWaalsContact O-CA 3.31Å; D48-R52 WeakPolarHBondContact O-CA 3.19Å; D48-R52 PolarHBondContact O-N 3.21Å; K49-R52 PolarHBondContact O-N 3.35Å
53L94.5Very high94.2Very high94 Ų9455.1 Ų55.149%0.49227%0.267SS..EExtended strand (participates in β ladder)trans-74.3121.6176-64.8178.5000109.1Y46 V47 D48 F51Y46-L53 CarbonylContact C-O 3.6Å; Y46-L53 WeakPolarHBondContact CA-O 3.42Å; Y46-L53 WeakPolarHBondContact CB-O 3.3Å; V47-L53 PolarHBondContact N-O 3.21Å; D48-L53 HydrophobicContact CB-CB 4.49Å; D48-L53 HydrophobicContact CB-CD1 4.39Å; D48-L53 PolarHBondContact O-N 3.41Å; F51-L53 HydrophobicContact CB-CD1 4.35Å; F51-L53 HydrophobicContact CB-CG 3.96Å; F51-L53 PolarHBondContact O-N 3.44Å
54P95.4Very high93.8Very high87 Ų8754.9 Ų54.957%0.56527%0.265SS*.EExtended strand (participates in β ladder)trans-69.1143.8-174.628.7-35.1000111.4V47 V56V47-P54 WeakPolarHBondContact CG2-O 3.37Å; P54-V56 PolarHBondContact O-N 3.11Å
55W96.7Very high93.6Very high13 Ų1355.6 Ų55.65%0.04927%0.269CS..PPolyproline II helixtrans-60.5131.2169.4-160.8-66.7000110.6G27 I43 G44 G45 V47 T59 A203 N374G27-W55 VanDerWaalsContact C-CE3 3.45Å; G27-W55 VanDerWaalsContact C-CZ3 3.4Å; G27-W55 WeakPolarHBondContact O-CZ3 3.37Å; I43-W55 HydrophobicContact CB-CG 4.31Å; G44-W55 WeakPolarHBondContact O-CB 3.22Å; G45-W55 PolarHBondContact O-N 3.41Å; V47-W55 HydrophobicContact CG2-CB 4.41Å; W55-T59 HydrophobicContact CD2-CG2 3.85Å; W55-T59 HydrophobicContact CE3-CG2 4.24Å; W55-T59 HydrophobicContact CG-CG2 4.36Å; W55-T59 HydrophobicContact CH2-CG2 4.14Å; W55-T59 HydrophobicContact CZ2-CG2 3.71Å; W55-T59 HydrophobicContact CZ3-CG2 4.38Å; W55-A203 HydrophobicContact CH2-CB 3.92Å; W55-A203 HydrophobicContact CZ3-CB 3.78Å; W55-N374 HydrophobicContact CZ3-CB 4.01Å
56V95.9Very high93.5Very high66 Ų6654.9 Ų54.940%0.426%0.262SS..  trans-121165.9178-62.60000111P54 S58 T59P54-V56 PolarHBondContact O-N 3.11Å; V56-S58 PolarHBondContact O-N 3.33Å; V56-T59 VanDerWaalsContact CG2-OG1 3.28Å; V56-T59 WeakPolarHBondContact CG2-OG1 3.38Å; V56-T59 PolarHBondContact N-OG1 3.19Å; V56-T59 VanDerWaalsContact O-CB 3.25Å; V56-T59 WeakPolarHBondContact O-CB 3.31Å; V56-T59 PolarHBondContact O-N 3.04Å; V56-T59 VanDerWaalsContact O-N 3.1Å; V56-T59 PolarHBondContact O-OG1 3.26Å
57T94.3Very high93.6Very high80 Ų8050.9 Ų50.949%0.49125%0.246SC..THydrogen-bonded Turntrans-64-26.6-173.449.90000113.7I43 N274I43-T57 HydrophobicContact CD1-CG2 3.82Å; T57-N274 PolarHBondContact O-ND2 3.35Å
58S95.3Very high93.7Very high54 Ų5450.2 Ų50.238%0.37824%0.242SC..THydrogen-bonded Turntrans-89.4-3.3178.157.20000114.3V56 R201V56-S58 PolarHBondContact O-N 3.33Å; S58-R201 PolarHBondContact O-NE 3.14Å; S58-R201 PolarHBondContact O-NH2 2.98Å; S58-R201 VanDerWaalsContact O-NH2 3.12Å
59T97.5Very high94Very high4 Ų449.6 Ų49.63%0.02524%0.239CC..  trans-63135174.9-60.80000109.8V47 W55 V56 R201 A203 N274V47-T59 HydrophobicContact CG1-CG2 4.16Å; V47-T59 HydrophobicContact CG2-CG2 3.8Å; V47-T59 WeakPolarHBondContact CG2-OG1 3.39Å; W55-T59 HydrophobicContact CD2-CG2 3.85Å; W55-T59 HydrophobicContact CE3-CG2 4.24Å; W55-T59 HydrophobicContact CG-CG2 4.36Å; W55-T59 HydrophobicContact CH2-CG2 4.14Å; W55-T59 HydrophobicContact CZ2-CG2 3.71Å; W55-T59 HydrophobicContact CZ3-CG2 4.38Å; V56-T59 VanDerWaalsContact CG2-OG1 3.28Å; V56-T59 WeakPolarHBondContact CG2-OG1 3.38Å; V56-T59 PolarHBondContact N-OG1 3.19Å; V56-T59 VanDerWaalsContact O-CB 3.25Å; V56-T59 WeakPolarHBondContact O-CB 3.31Å; V56-T59 PolarHBondContact O-N 3.04Å; V56-T59 VanDerWaalsContact O-N 3.1Å; V56-T59 PolarHBondContact O-OG1 3.26Å; T59-R201 WeakPolarHBondContact CA-O 3.4Å; T59-A203 HydrophobicContact CG2-CB 3.85Å; T59-N274 WeakPolarHBondContact O-CB 2.99Å
60I96.8Very high94.5Very high0 Ų044.8 Ų44.80%022%0.218CC..BIsolated β-bridgetrans-120.6151.6175.160.2-175.5000109.4L191 I194 R201 V202 A203 F272 T273I60-L191 HydrophobicContact CD1-CD1 3.99Å; I60-I194 HydrophobicContact CD1-CD1 4.01Å; I60-R201 HydrophobicContact CD1-CB 4.08Å; I60-R201 HydrophobicContact CG1-CB 3.96Å; I60-R201 PolarHBondContact N-O 2.97Å; I60-V202 HydrophobicContact CD1-CG2 4.19Å; I60-V202 HydrophobicContact CG1-CG2 4.07Å; I60-V202 CarbonylContact O-C 3.44Å; I60-V202 WeakPolarHBondContact O-CA 3.04Å; I60-A203 PolarHBondContact O-N 3.18Å; I60-F272 HydrophobicContact CD1-CB 3.93Å; I60-F272 HydrophobicContact CG1-CB 4.36Å; I60-T273 CarbonylContact C-O 3.49Å; I60-T273 WeakPolarHBondContact CA-O 3.37Å
61S94.8Very high95.1Very high0 Ų035.4 Ų35.40%018%0.183CC..EExtended strand (participates in β ladder)trans-120.6154.4173.7-163.50000110F272 T273 T373S61-F272 WeakPolarHBondContact O-CA 3.44Å; S61-T273 PolarHBondContact N-O 2.87Å; S61-T273 PolarHBondContact O-N 2.88Å; S61-T373 PolarHBondContact OG-O 2.82Å; S61-T373 VanDerWaalsContact OG-O 3.08Å
62Q93.4Very high95.4Very high7 Ų729.2 Ų29.23%0.03316%0.156CC..EExtended strand (participates in β ladder)trans-69.8129.1167.8-171.9173.9-5.100109.5F64 S269 F272 Q357Q62-F64 HydrophobicContact CB-CE2 4.14Å; Q62-F64 HydrophobicContact CB-CZ 4.44Å; Q62-F64 HydrophobicContact CG-CD2 4.41Å; Q62-F64 HydrophobicContact CG-CE2 4.25Å; Q62-F64 HydrophobicContact CG-CZ 4.33Å; Q62-F64 WeakPolarHBondContact O-CD2 3.47Å; Q62-S269 WeakPolarHBondContact CG-O 3.41Å; Q62-S269 PolarHBondContact NE2-O 3.15Å; Q62-F272 HydrophobicContact CB-CD1 3.95Å; Q62-F272 HydrophobicContact CB-CE1 3.5Å; Q62-F272 VanDerWaalsContact CB-CE1 3.5Å; Q62-F272 HydrophobicContact CB-CZ 3.98Å; Q62-F272 HydrophobicContact CG-CE1 3.91Å; Q62-F272 HydrophobicContact CG-CE2 4.45Å; Q62-F272 HydrophobicContact CG-CZ 3.84Å; Q62-Q357 PolarHBondContact O-NE2 3.36Å
63L93.6Very high95.7Very high0 Ų020.4 Ų20.40%012%0.122CC..  trans-91.6-3.4-173.7-67.9-160.9000114.9T65 V66 L271 T273 L278 V372L63-T65 PolarHBondContact O-N 2.96Å; L63-V66 HydrophobicContact CB-CB 4.12Å; L63-V66 HydrophobicContact CD1-CG1 4.14Å; L63-V66 WeakPolarHBondContact O-CB 3.23Å; L63-V66 PolarHBondContact O-N 3.35Å; L63-L271 HydrophobicContact CB-CB 4.36Å; L63-L271 WeakPolarHBondContact CB-O 3.37Å; L63-L271 HydrophobicContact CD1-CD2 3.84Å; L63-L271 HydrophobicContact CD1-CG 4.06Å; L63-L271 PolarHBondContact N-O 2.95Å; L63-T273 HydrophobicContact CD1-CG2 3.52Å; L63-T273 HydrophobicContact CG-CG2 4.21Å; L63-L278 HydrophobicContact CD1-CD1 3.91Å; L63-L278 HydrophobicContact CD1-CD2 3.81Å; L63-L278 HydrophobicContact CD1-CG 4.39Å; L63-V372 HydrophobicContact CD2-CB 4.45Å; L63-V372 HydrophobicContact CD2-CG1 3.88Å; L63-V372 HydrophobicContact CD2-CG2 3.78Å
64F90.8Very high95.9Very high3 Ų316 Ų161%0.01310%0.099CC..G310 helixtrans45.9-128.1-179.2-61.4-84.5000111.3Q62 V66 S67 T205 H207 L253 S268 S269 I354 L355Q62-F64 HydrophobicContact CB-CE2 4.14Å; Q62-F64 HydrophobicContact CB-CZ 4.44Å; Q62-F64 HydrophobicContact CG-CD2 4.41Å; Q62-F64 HydrophobicContact CG-CE2 4.25Å; Q62-F64 HydrophobicContact CG-CZ 4.33Å; Q62-F64 WeakPolarHBondContact O-CD2 3.47Å; F64-V66 PolarHBondContact O-N 3.36Å; F64-S67 WeakPolarHBondContact O-CB 3.48Å; F64-S67 PolarHBondContact O-N 3.48Å; F64-S67 PolarHBondContact O-OG 3.05Å; F64-T205 HydrophobicContact CE2-CG2 4.04Å; F64-T205 HydrophobicContact CZ-CG2 4.13Å; F64-H207 AromaticContact CE1-CE1 3.89Å; F64-H207 AromaticContact CZ-CE1 3.55Å; F64-H207 AromaticContact CZ-NE2 3.87Å; F64-L253 HydrophobicContact CD1-CD1 4.22Å; F64-L253 WeakPolarHBondContact CE1-O 3.46Å; F64-S268 CarbonylContact C-O 3.57Å; F64-S268 CarbonylContact O-C 3.44Å; F64-S269 PolarHBondContact N-O 2.84Å; F64-S269 WeakPolarHBondContact O-CA 3.37Å; F64-I354 HydrophobicContact CB-CD1 4.01Å; F64-I354 HydrophobicContact CD1-CD1 4Å; F64-I354 HydrophobicContact CD1-CG2 4.47Å; F64-I354 HydrophobicContact CG-CD1 4.15Å; F64-I354 HydrophobicContact CG-CG2 4.45Å; F64-L355 HydrophobicContact CD2-CD1 4.04Å; F64-L355 HydrophobicContact CD2-CG 4.08Å; F64-L355 HydrophobicContact CE2-CD1 3.51Å; F64-L355 HydrophobicContact CE2-CG 3.8Å
65T90.8Very high96.1Very high16 Ų1611.8 Ų11.810%0.0987%0.072CC..G310 helixtrans-64-23.1-176.562.60000113.6L63 S67 M68 L153 D352L63-T65 PolarHBondContact O-N 2.96Å; T65-S67 PolarHBondContact O-N 2.98Å; T65-M68 VanDerWaalsContact O-CB 3.31Å; T65-M68 WeakPolarHBondContact O-CB 3.42Å; T65-M68 WeakPolarHBondContact O-CG 3.2Å; T65-M68 PolarHBondContact O-N 3.3Å; T65-M68 VanDerWaalsContact O-N 3.08Å; T65-L153 HydrophobicContact CG2-CD1 3.76Å; T65-L153 HydrophobicContact CG2-CD2 3.98Å; T65-D352 VanDerWaalsContact OG1-CA 3.26Å; T65-D352 WeakPolarHBondContact OG1-CA 3.27Å; T65-D352 WeakPolarHBondContact OG1-CB 3.26Å
66V94.7Very high96.2Very high0 Ų011.2 Ų11.20%07%0.07CC..G310 helixtrans-62.9-21171.91800000111.1L63 F64 M68 V69 L278 M350 D352 V359L63-V66 HydrophobicContact CB-CB 4.12Å; L63-V66 HydrophobicContact CD1-CG1 4.14Å; L63-V66 WeakPolarHBondContact O-CB 3.23Å; L63-V66 PolarHBondContact O-N 3.35Å; F64-V66 PolarHBondContact O-N 3.36Å; V66-M68 PolarHBondContact O-N 3Å; V66-V69 HydrophobicContact CG1-CG1 4.38Å; V66-V69 VanDerWaalsContact O-CG1 3.3Å; V66-V69 WeakPolarHBondContact O-CG1 3.31Å; V66-V69 VanDerWaalsContact O-CG2 3.3Å; V66-V69 WeakPolarHBondContact O-CG2 3.36Å; V66-V69 PolarHBondContact O-N 3.48Å; V66-V69 VanDerWaalsContact O-N 3.13Å; V66-L278 HydrophobicContact CG1-CD1 4.46Å; V66-L278 HydrophobicContact CG1-CD2 3.99Å; V66-M350 HydrophobicContact CG1-CB 4.42Å; V66-D352 HydrophobicContact CG2-CB 4.01Å; V66-V359 HydrophobicContact CG1-CG1 4.08Å
67S96.8Very high96.3Very high0 Ų09 Ų90%06%0.055CC..G310 helixtrans-54.6-26.4171.8-50.70000113.2F64 T65 V69 V70 V267 S269 L271F64-S67 WeakPolarHBondContact O-CB 3.48Å; F64-S67 PolarHBondContact O-N 3.48Å; F64-S67 PolarHBondContact O-OG 3.05Å; T65-S67 PolarHBondContact O-N 2.98Å; S67-V69 PolarHBondContact O-N 3.2Å; S67-V70 WeakPolarHBondContact O-CB 3.43Å; S67-V70 VanDerWaalsContact O-CG2 3.28Å; S67-V70 WeakPolarHBondContact O-CG2 3.44Å; S67-V70 PolarHBondContact O-N 2.83Å; S67-V70 VanDerWaalsContact O-N 3.11Å; S67-V267 CarbonylContact C-O 3.51Å; S67-V267 WeakPolarHBondContact CB-O 3.28Å; S67-S269 WeakPolarHBondContact OG-CA 3.41Å; S67-S269 PolarHBondContact OG-O 3.07Å; S67-L271 VanDerWaalsContact CB-CB 3.45Å; S67-L271 VanDerWaalsContact OG-CB 3.28Å; S67-L271 WeakPolarHBondContact OG-CB 3.16Å; S67-L271 PolarHBondContact OG-N 2.94Å
68M97.2Very high96.5Very high4 Ų45.2 Ų5.22%0.023%0.031CC..G310 helixtrans-60.5-13.4179.2-72.7-63.7-69.600113.6T65 V66 V70 V71 P72 L153 M156 A157 V267 S268 M350T65-M68 VanDerWaalsContact O-CB 3.31Å; T65-M68 WeakPolarHBondContact O-CB 3.42Å; T65-M68 WeakPolarHBondContact O-CG 3.2Å; T65-M68 PolarHBondContact O-N 3.3Å; T65-M68 VanDerWaalsContact O-N 3.08Å; V66-M68 PolarHBondContact O-N 3Å; M68-V70 PolarHBondContact O-N 2.96Å; M68-V71 HydrophobicContact CE-CG2 3.92Å; M68-V71 PolarHBondContact O-N 3Å; M68-V71 HydrophobicContact SD-CG2 4.36Å; M68-P72 WeakPolarHBondContact O-CD 3.3Å; M68-L153 HydrophobicContact CG-CD1 4.01Å; M68-L153 HydrophobicContact SD-CD1 4.49Å; M68-M156 HydrophobicContact CE-CB 3.78Å; M68-M156 HydrophobicContact CE-CE 3.89Å; M68-M156 HydrophobicContact CE-CG 3.51Å; M68-M156 HydrophobicContact CE-SD 3.31Å; M68-M156 WeakPolarHBondContact CE-SD 3.44Å; M68-A157 HydrophobicContact SD-CB 4.3Å; M68-V267 PolarHBondContact N-O 2.79Å; M68-S268 VanDerWaalsContact SD-CA 3.58Å; M68-M350 HydrophobicContact CB-CE 3.9Å; M68-M350 HydrophobicContact CB-SD 3.55Å; M68-M350 VanDerWaalsContact CB-SD 3.55Å; M68-M350 WeakPolarHBondContact O-CE 3.25Å
69V97.9Very high96.6Very high0 Ų06.3 Ų6.30%03%0.028CC..G310 helixtrans-55.7-25.1172.6-63.90000112V66 S67 V71 P72 F73 L271 L278 L281 F282 M350 V359V66-V69 HydrophobicContact CG1-CG1 4.38Å; V66-V69 VanDerWaalsContact O-CG1 3.3Å; V66-V69 WeakPolarHBondContact O-CG1 3.31Å; V66-V69 VanDerWaalsContact O-CG2 3.3Å; V66-V69 WeakPolarHBondContact O-CG2 3.36Å; V66-V69 PolarHBondContact O-N 3.48Å; V66-V69 VanDerWaalsContact O-N 3.13Å; S67-V69 PolarHBondContact O-N 3.2Å; V69-V71 PolarHBondContact O-N 3.37Å; V69-P72 VanDerWaalsContact O-CD 3.24Å; V69-P72 WeakPolarHBondContact O-CD 3.43Å; V69-P72 VanDerWaalsContact O-CG 3.3Å; V69-P72 WeakPolarHBondContact O-CG 3.26Å; V69-F73 HydrophobicContact CB-CD2 4.42Å; V69-F73 VanDerWaalsContact O-CD2 3.26Å; V69-F73 WeakPolarHBondContact O-CD2 3.01Å; V69-F73 PolarHBondContact O-N 3.41Å; V69-L271 HydrophobicContact CG2-CD2 3.89Å; V69-L278 HydrophobicContact CG2-CD1 4.33Å; V69-L281 HydrophobicContact CG2-CD2 4.21Å; V69-F282 HydrophobicContact CB-CE2 4.24Å; V69-F282 HydrophobicContact CG1-CE2 3.77Å; V69-F282 HydrophobicContact CG1-CZ 3.84Å; V69-M350 HydrophobicContact CB-SD 4.24Å; V69-M350 HydrophobicContact CG1-CB 3.85Å; V69-M350 HydrophobicContact CG1-CE 4.38Å; V69-M350 HydrophobicContact CG1-CG 3.72Å; V69-M350 HydrophobicContact CG1-SD 3.51Å; V69-M350 VanDerWaalsContact CG1-SD 3.51Å; V69-M350 PolarHBondContact N-SD 2.74Å; V69-V359 HydrophobicContact CG1-CG1 4.19Å
70V98.6Very high96.6Very high0 Ų07 Ų70%03%0.031CC..Hα-helixtrans-56.5-36.8175.1171.90000112.1S67 M68 S74 L174 F178 I192 V267 L271S67-V70 WeakPolarHBondContact O-CB 3.43Å; S67-V70 VanDerWaalsContact O-CG2 3.28Å; S67-V70 WeakPolarHBondContact O-CG2 3.44Å; S67-V70 PolarHBondContact O-N 2.83Å; S67-V70 VanDerWaalsContact O-N 3.11Å; M68-V70 PolarHBondContact O-N 2.96Å; V70-S74 VanDerWaalsContact O-CB 3.22Å; V70-S74 WeakPolarHBondContact O-CB 3.07Å; V70-S74 PolarHBondContact O-N 3.08Å; V70-S74 PolarHBondContact O-OG 3.46Å; V70-L174 HydrophobicContact CG1-CD1 4.19Å; V70-L174 HydrophobicContact CG1-CG 4.12Å; V70-F178 HydrophobicContact CB-CD2 4.29Å; V70-F178 HydrophobicContact CB-CG 4.4Å; V70-F178 HydrophobicContact CG1-CB 3.74Å; V70-F178 HydrophobicContact CG1-CD1 4.35Å; V70-F178 HydrophobicContact CG1-CD2 3.92Å; V70-F178 HydrophobicContact CG1-CG 3.74Å; V70-F178 HydrophobicContact CG2-CD1 4.14Å; V70-F178 HydrophobicContact CG2-CD2 4.36Å; V70-F178 HydrophobicContact CG2-CE1 4.16Å; V70-F178 HydrophobicContact CG2-CE2 4.39Å; V70-F178 HydrophobicContact CG2-CG 4.24Å; V70-F178 HydrophobicContact CG2-CZ 4.29Å; V70-I192 HydrophobicContact CB-CD1 4.49Å; V70-I192 HydrophobicContact CG1-CD1 4Å; V70-I192 HydrophobicContact CG2-CD1 3.65Å; V70-I192 HydrophobicContact CG2-CG1 4.4Å; V70-V267 HydrophobicContact CB-CB 4.2Å; V70-V267 HydrophobicContact CB-CG1 4.3Å; V70-V267 HydrophobicContact CG1-CB 4.11Å; V70-V267 HydrophobicContact CG1-CG1 3.7Å; V70-L271 HydrophobicContact CG2-CD2 4.19Å
71V98.7Very high96.6Very high0 Ų010 Ų100%05%0.047CC..Hα-helixtrans-66.2-60.6-177.9-1780000112.4M68 V69 F73 S74 F75 L108 M156 L174 V267M68-V71 HydrophobicContact CE-CG2 3.92Å; M68-V71 PolarHBondContact O-N 3Å; M68-V71 HydrophobicContact SD-CG2 4.36Å; V69-V71 PolarHBondContact O-N 3.37Å; V71-F73 VanDerWaalsContact C-N 3.3Å; V71-F73 PolarHBondContact O-N 3.39Å; V71-S74 PolarHBondContact O-N 2.9Å; V71-F75 HydrophobicContact CG1-CD2 3.94Å; V71-F75 HydrophobicContact CG1-CE2 4.08Å; V71-F75 HydrophobicContact CG1-CG 4.43Å; V71-F75 WeakPolarHBondContact O-CB 3.43Å; V71-F75 WeakPolarHBondContact O-CD2 3.39Å; V71-F75 PolarHBondContact O-N 2.68Å; V71-L108 HydrophobicContact CG1-CD2 3.66Å; V71-M156 HydrophobicContact CB-CE 4.14Å; V71-M156 HydrophobicContact CG1-CE 3.63Å; V71-L174 HydrophobicContact CG2-CD2 4.09Å; V71-V267 HydrophobicContact CG2-CG2 4.28Å
72P98.5Very high96.7Very high1 Ų118 Ų181%0.0068%0.084CC..Hα-helixtrans-57-42.3-179.116.3-27.7000112.5M68 V69 A76 M312 A334 F336 M350M68-P72 WeakPolarHBondContact O-CD 3.3Å; V69-P72 VanDerWaalsContact O-CD 3.24Å; V69-P72 WeakPolarHBondContact O-CD 3.43Å; V69-P72 VanDerWaalsContact O-CG 3.3Å; V69-P72 WeakPolarHBondContact O-CG 3.26Å; P72-A76 WeakPolarHBondContact O-CB 3.24Å; P72-A76 PolarHBondContact O-N 3.16Å; P72-M312 HydrophobicContact CB-CE 4.37Å; P72-A334 HydrophobicContact CB-CB 3.95Å; P72-A334 WeakPolarHBondContact CB-O 3.35Å; P72-F336 HydrophobicContact CB-CE1 3.93Å; P72-F336 HydrophobicContact CB-CE2 4.17Å; P72-F336 HydrophobicContact CB-CZ 3.72Å; P72-F336 HydrophobicContact CG-CD1 4.07Å; P72-F336 HydrophobicContact CG-CE1 3.42Å; P72-F336 VanDerWaalsContact CG-CE1 3.42Å; P72-F336 HydrophobicContact CG-CZ 3.71Å; P72-M350 HydrophobicContact CG-CE 3.91Å
73F98.5Very high96.9Very high0 Ų020 Ų200%010%0.095CC..Hα-helixtrans-65.3-42.9179.4-83-70.8000112.3V69 V71 K77 F178 I182 L281 F282 L284 L285 F304 M312 F336V69-F73 HydrophobicContact CB-CD2 4.42Å; V69-F73 VanDerWaalsContact O-CD2 3.26Å; V69-F73 WeakPolarHBondContact O-CD2 3.01Å; V69-F73 PolarHBondContact O-N 3.41Å; V71-F73 VanDerWaalsContact C-N 3.3Å; V71-F73 PolarHBondContact O-N 3.39Å; F73-K77 PolarHBondContact O-N 3.06Å; F73-K77 VanDerWaalsContact O-N 3.11Å; F73-F178 HydrophobicContact CB-CD2 4.37Å; F73-F178 HydrophobicContact CB-CE2 3.88Å; F73-I182 VanDerWaalsContact C-CD1 3.5Å; F73-I182 HydrophobicContact CB-CD1 3.95Å; F73-I182 VanDerWaalsContact O-CD1 3.27Å; F73-I182 WeakPolarHBondContact O-CD1 3.4Å; F73-L281 HydrophobicContact CD1-CD1 4.13Å; F73-L281 HydrophobicContact CD1-CG 4.49Å; F73-L281 HydrophobicContact CD2-CD1 4.21Å; F73-L281 HydrophobicContact CD2-CD2 3.72Å; F73-L281 HydrophobicContact CD2-CG 3.93Å; F73-L281 HydrophobicContact CE1-CD1 4.21Å; F73-L281 HydrophobicContact CE1-CG 4.26Å; F73-L281 HydrophobicContact CE2-CD1 4.31Å; F73-L281 HydrophobicContact CE2-CD2 3.75Å; F73-L281 HydrophobicContact CE2-CG 3.67Å; F73-L281 HydrophobicContact CG-CD1 4.14Å; F73-L281 HydrophobicContact CG-CD2 4.42Å; F73-L281 HydrophobicContact CG-CG 4.36Å; F73-L281 HydrophobicContact CZ-CD1 4.31Å; F73-L281 HydrophobicContact CZ-CD2 4.44Å; F73-L281 HydrophobicContact CZ-CG 3.86Å; F73-F282 AromaticContact CE2-CD2 3.94Å; F73-F282 HydrophobicContact CE2-CD2 3.94Å; F73-F282 AromaticContact CE2-CE2 3.68Å; F73-F282 HydrophobicContact CE2-CE2 3.68Å; F73-F282 HydrophobicContact CE2-CZ 4.05Å; F73-F282 HydrophobicContact CZ-CD2 4.15Å; F73-F282 HydrophobicContact CZ-CE2 4.3Å; F73-F282 HydrophobicContact CZ-CG 4.36Å; F73-L284 HydrophobicContact CD1-CD1 4.27Å; F73-L284 HydrophobicContact CE1-CB 4.22Å; F73-L284 HydrophobicContact CE1-CD1 4.09Å; F73-L285 HydrophobicContact CE1-CD1 4.4Å; F73-L285 HydrophobicContact CE1-CD2 4.08Å; F73-L285 HydrophobicContact CE1-CG 4.07Å; F73-L285 HydrophobicContact CZ-CD1 3.89Å; F73-L285 HydrophobicContact CZ-CD2 4.4Å; F73-L285 HydrophobicContact CZ-CG 3.99Å; F73-F304 AromaticContact CD1-CE2 3.65Å; F73-F304 HydrophobicContact CD1-CE2 3.65Å; F73-F304 HydrophobicContact CD1-CZ 4.05Å; F73-F304 AromaticContact CE1-CE2 3.94Å; F73-F304 HydrophobicContact CE1-CE2 3.94Å; F73-M312 HydrophobicContact CD1-CE 4.1Å; F73-M312 HydrophobicContact CE1-CE 4.26Å; F73-M312 HydrophobicContact CG-CE 4.49Å; F73-F336 HydrophobicContact CD2-CZ 4.27Å; F73-F336 HydrophobicContact CE2-CE1 4.24Å; F73-F336 AromaticContact CE2-CZ 3.83Å; F73-F336 HydrophobicContact CE2-CZ 3.83Å; F73-F336 HydrophobicContact CZ-CZ 4.2Å
74S98.7Very high97.1Very high0 Ų020.1 Ų20.10%010%0.095CC..Hα-helixtrans-67.3-43.5177.9-58.10000112V70 V71 K77 L78 L174V70-S74 VanDerWaalsContact O-CB 3.22Å; V70-S74 WeakPolarHBondContact O-CB 3.07Å; V70-S74 PolarHBondContact O-N 3.08Å; V70-S74 PolarHBondContact O-OG 3.46Å; V71-S74 PolarHBondContact O-N 2.9Å; S74-K77 PolarHBondContact O-N 2.87Å; S74-L78 WeakPolarHBondContact O-CG 3.22Å; S74-L78 PolarHBondContact O-N 3.25Å; S74-L174 VanDerWaalsContact OG-CD1 3.3Å; S74-L174 WeakPolarHBondContact OG-CD1 3.41Å
75F98.7Very high97.4Very high0 Ų023 Ų230%011%0.111CC..Hα-helixtrans-69.3-36.6-180-83.6-123.6000111.4V71 K77 L78 Y79 L84 V104 L108 I163 V164V71-F75 HydrophobicContact CG1-CD2 3.94Å; V71-F75 HydrophobicContact CG1-CE2 4.08Å; V71-F75 HydrophobicContact CG1-CG 4.43Å; V71-F75 WeakPolarHBondContact O-CB 3.43Å; V71-F75 WeakPolarHBondContact O-CD2 3.39Å; V71-F75 PolarHBondContact O-N 2.68Å; F75-K77 VanDerWaalsContact C-N 3.31Å; F75-K77 PolarHBondContact O-N 2.97Å; F75-L78 PolarHBondContact O-N 3.36Å; F75-Y79 VanDerWaalsContact O-CB 3.23Å; F75-Y79 WeakPolarHBondContact O-CB 3.36Å; F75-Y79 PolarHBondContact O-N 2.66Å; F75-L84 HydrophobicContact CD1-CD1 3.92Å; F75-L84 HydrophobicContact CD1-CD2 4.25Å; F75-L84 HydrophobicContact CE1-CD1 3.84Å; F75-V104 HydrophobicContact CD1-CG1 3.59Å; F75-V104 HydrophobicContact CE1-CG1 3.55Å; F75-L108 HydrophobicContact CB-CD1 4.37Å; F75-L108 HydrophobicContact CB-CD2 4.33Å; F75-L108 HydrophobicContact CD1-CD1 4.16Å; F75-L108 HydrophobicContact CD1-CD2 3.87Å; F75-L108 HydrophobicContact CD1-CG 4.27Å; F75-L108 HydrophobicContact CE1-CD2 4.41Å; F75-L108 HydrophobicContact CG-CD2 4.07Å; F75-I163 HydrophobicContact CE1-CD1 4.44Å; F75-I163 HydrophobicContact CE1-CG2 4.28Å; F75-I163 HydrophobicContact CZ-CB 4.2Å; F75-I163 HydrophobicContact CZ-CD1 4.41Å; F75-I163 HydrophobicContact CZ-CG2 4.11Å; F75-V164 HydrophobicContact CD2-CG2 4.45Å; F75-V164 HydrophobicContact CE2-CG2 3.78Å; F75-V164 HydrophobicContact CZ-CG2 4.46Å
76A98.4Very high97.8Very high0 Ų022.6 Ų22.60%011%0.108CC..Hα-helixtrans-61-39.5171.100000112.5P72 Q80 F304 I308 W311 M312P72-A76 WeakPolarHBondContact O-CB 3.24Å; P72-A76 PolarHBondContact O-N 3.16Å; A76-Q80 VanDerWaalsContact O-CB 3.26Å; A76-Q80 WeakPolarHBondContact O-CB 3.38Å; A76-Q80 PolarHBondContact O-N 3.45Å; A76-F304 HydrophobicContact CB-CD1 4.21Å; A76-F304 HydrophobicContact CB-CE1 3.59Å; A76-F304 HydrophobicContact CB-CZ 3.9Å; A76-I308 HydrophobicContact CB-CG2 3.93Å; A76-W311 HydrophobicContact CB-CZ3 3.82Å; A76-M312 HydrophobicContact CB-CE 3.54Å; A76-M312 HydrophobicContact CB-CG 3.98Å; A76-M312 HydrophobicContact CB-SD 3.33Å; A76-M312 WeakPolarHBondContact CB-SD 3.26Å
77K97.6Very high97.9Very high20 Ų2028 Ų289%0.08713%0.134CC..Hα-helixtrans-66.4-49176.7-175.467.3171.484.30110.8F73 S74 F75 Y79 Q80 D81 Y177 I182 F302 F304F73-K77 PolarHBondContact O-N 3.06Å; F73-K77 VanDerWaalsContact O-N 3.11Å; S74-K77 PolarHBondContact O-N 2.87Å; F75-K77 VanDerWaalsContact C-N 3.31Å; F75-K77 PolarHBondContact O-N 2.97Å; K77-Y79 VanDerWaalsContact C-N 3.27Å; K77-Y79 PolarHBondContact O-N 3.04Å; K77-Q80 PolarHBondContact O-N 3.4Å; K77-D81 IonicContact NZ-OD1 3.59Å; K77-D81 PolarHBondContact NZ-OD1 3Å; K77-D81 IonicContact NZ-OD2 2.6Å; K77-D81 PolarHBondContact NZ-OD2 3.11Å; K77-D81 WeakPolarHBondContact O-CB 3.45Å; K77-D81 PolarHBondContact O-N 2.97Å; K77-Y177 HydrophobicContact CB-CE1 4.4Å; K77-Y177 VanDerWaalsContact CG-OH 3.29Å; K77-Y177 WeakPolarHBondContact CG-OH 3.37Å; K77-I182 HydrophobicContact CB-CD1 4.15Å; K77-F302 HydrophobicContact CD-CD1 4.31Å; K77-F302 HydrophobicContact CD-CD2 4.01Å; K77-F302 HydrophobicContact CD-CE1 3.78Å; K77-F302 HydrophobicContact CD-CE2 3.36Å; K77-F302 HydrophobicContact CD-CG 4.41Å; K77-F302 HydrophobicContact CD-CZ 3.26Å; K77-F304 HydrophobicContact CB-CE1 4.24Å
78L98.4Very high98Very high0 Ų029.3 Ų29.30%014%0.142CC..Hα-helixtrans-59.2-39.2176.8-70.1165.3000112S74 F75 E82 L83 L84 V164 V167 Y177S74-L78 WeakPolarHBondContact O-CG 3.22Å; S74-L78 PolarHBondContact O-N 3.25Å; F75-L78 PolarHBondContact O-N 3.36Å; L78-E82 PolarHBondContact O-N 2.88Å; L78-L83 HydrophobicContact CD2-CB 4.06Å; L78-L83 HydrophobicContact CD2-CD1 3.98Å; L78-L83 PolarHBondContact O-N 3.31Å; L78-L84 HydrophobicContact CB-CB 3.81Å; L78-L84 PolarHBondContact O-N 3.19Å; L78-V164 HydrophobicContact CD1-CG1 4.48Å; L78-V164 HydrophobicContact CD1-CG2 3.69Å; L78-V167 HydrophobicContact CD1-CG2 3.81Å; L78-V167 HydrophobicContact CD2-CG2 3.82Å; L78-V167 HydrophobicContact CG-CG2 4.37Å; L78-Y177 HydrophobicContact CD1-CE1 4.32Å; L78-Y177 HydrophobicContact CD2-CE1 4.24Å; L78-Y177 HydrophobicContact CD2-CE2 3.65Å; L78-Y177 VanDerWaalsContact CD2-CZ 3.47Å; L78-Y177 VanDerWaalsContact CD2-OH 3.28Å; L78-Y177 WeakPolarHBondContact CD2-OH 3.34Å; L78-Y177 HydrophobicContact CG-CE1 3.93Å; L78-Y177 HydrophobicContact CG-CE2 4.26Å; L78-Y177 WeakPolarHBondContact CG-OH 3.41Å
79Y98.3Very high98Very high77 Ų7730.7 Ų30.730%0.30215%0.153SC..Hα-helixtrans-69.5-43.5176.8-178.5-150.8000112.3F75 K77 D81 E82 L84 I86 I308 W311F75-Y79 VanDerWaalsContact O-CB 3.23Å; F75-Y79 WeakPolarHBondContact O-CB 3.36Å; F75-Y79 PolarHBondContact O-N 2.66Å; K77-Y79 VanDerWaalsContact C-N 3.27Å; K77-Y79 PolarHBondContact O-N 3.04Å; Y79-D81 PolarHBondContact O-N 3.45Å; Y79-E82 PolarHBondContact O-N 2.83Å; Y79-E82 VanDerWaalsContact O-N 3.07Å; Y79-L84 WeakPolarHBondContact CA-O 3.12Å; Y79-L84 VanDerWaalsContact CD2-O 3.31Å; Y79-L84 WeakPolarHBondContact CD2-O 3.3Å; Y79-I86 HydrophobicContact CD1-CD1 4.4Å; Y79-I86 HydrophobicContact CD1-CG2 3.98Å; Y79-I86 HydrophobicContact CD2-CG2 4.49Å; Y79-I86 HydrophobicContact CE1-CD1 3.77Å; Y79-I86 HydrophobicContact CE1-CG1 4.16Å; Y79-I86 HydrophobicContact CE1-CG2 4.36Å; Y79-I86 HydrophobicContact CE2-CG1 4.48Å; Y79-I86 HydrophobicContact CG-CG2 4.06Å; Y79-I308 HydrophobicContact CD1-CD1 3.62Å; Y79-I308 HydrophobicContact CE1-CD1 3.93Å; Y79-I308 HydrophobicContact CG-CD1 4.08Å; Y79-W311 HydrophobicContact CD1-CD2 4.12Å; Y79-W311 AromaticContact CD1-CE3 3.94Å; Y79-W311 HydrophobicContact CD1-CE3 3.94Å; Y79-W311 HydrophobicContact CD1-CH2 4.47Å; Y79-W311 HydrophobicContact CD1-CZ3 4.13Å; Y79-W311 HydrophobicContact CE1-CD2 4.11Å; Y79-W311 HydrophobicContact CE1-CE3 4.33Å; Y79-W311 HydrophobicContact CE1-CG 4.29Å
80Q96.8Very high97.9Very high18 Ų1830.7 Ų30.78%0.08415%0.153CC..Hα-helixtrans-59.8-35.4175.7177.3155.6-53.100113.3A76 K77 E82 V303 K305 I308A76-Q80 VanDerWaalsContact O-CB 3.26Å; A76-Q80 WeakPolarHBondContact O-CB 3.38Å; A76-Q80 PolarHBondContact O-N 3.45Å; K77-Q80 PolarHBondContact O-N 3.4Å; Q80-E82 VanDerWaalsContact C-N 3.28Å; Q80-V303 PolarHBondContact NE2-O 3.39Å; Q80-V303 VanDerWaalsContact NE2-O 3.13Å; Q80-K305 HydrophobicContact CG-CD 4.05Å; Q80-K305 HydrophobicContact CG-CG 4.3Å; Q80-K305 PolarHBondContact O-NZ 3.23Å; Q80-I308 HydrophobicContact CB-CD1 4.14Å; Q80-I308 HydrophobicContact CB-CG1 3.9Å; Q80-I308 HydrophobicContact CG-CG1 4.25Å
81D96.5Very high97.8Very high64 Ų6433.7 Ų33.734%0.34217%0.167SC..THydrogen-bonded Turntrans-87.95.6179.6-60.8-13.8000112.7K77 Y79 L83K77-D81 IonicContact NZ-OD1 3.59Å; K77-D81 PolarHBondContact NZ-OD1 3Å; K77-D81 IonicContact NZ-OD2 2.6Å; K77-D81 PolarHBondContact NZ-OD2 3.11Å; K77-D81 WeakPolarHBondContact O-CB 3.45Å; K77-D81 PolarHBondContact O-N 2.97Å; Y79-D81 PolarHBondContact O-N 3.45Å; D81-L83 HydrophobicContact CB-CD1 4.4Å; D81-L83 HydrophobicContact CB-CG 4.19Å; D81-L83 PolarHBondContact O-N 2.91Å; D81-L83 VanDerWaalsContact O-N 3.15Å
82E96.9Very high97.7Very high167 Ų16739.7 Ų39.778%0.7820%0.195SC*.THydrogen-bonded Turntrans61.321.1177.3-56.8171.3-168.500113.9L78 Y79 Q80L78-E82 PolarHBondContact O-N 2.88Å; Y79-E82 PolarHBondContact O-N 2.83Å; Y79-E82 VanDerWaalsContact O-N 3.07Å; Q80-E82 VanDerWaalsContact C-N 3.28Å
83L97.9Very high97.6Very high49 Ų4940.7 Ų40.726%0.25720%0.198SC..SBendtrans-85.9-19.6175.3-62.3-179.1000112.9L78 D81 V167 H169L78-L83 HydrophobicContact CD2-CB 4.06Å; L78-L83 HydrophobicContact CD2-CD1 3.98Å; L78-L83 PolarHBondContact O-N 3.31Å; D81-L83 HydrophobicContact CB-CD1 4.4Å; D81-L83 HydrophobicContact CB-CG 4.19Å; D81-L83 PolarHBondContact O-N 2.91Å; D81-L83 VanDerWaalsContact O-N 3.15Å; L83-V167 WeakPolarHBondContact O-CB 3.16Å; L83-H169 VanDerWaalsContact CD2-NE2 3.31Å; L83-H169 WeakPolarHBondContact CD2-NE2 3.39Å
84L98.3Very high97.4Very high3 Ų340.7 Ų40.72%0.01620%0.198CC..  trans-137.8128.3178.8179.3142.5000109.3F75 L78 Y79 I86 V104 I163F75-L84 HydrophobicContact CD1-CD1 3.92Å; F75-L84 HydrophobicContact CD1-CD2 4.25Å; F75-L84 HydrophobicContact CE1-CD1 3.84Å; L78-L84 HydrophobicContact CB-CB 3.81Å; L78-L84 PolarHBondContact O-N 3.19Å; Y79-L84 WeakPolarHBondContact CA-O 3.12Å; Y79-L84 VanDerWaalsContact CD2-O 3.31Å; Y79-L84 WeakPolarHBondContact CD2-O 3.3Å; L84-I86 HydrophobicContact CD2-CG2 3.77Å; L84-V104 HydrophobicContact CD1-CG1 4.34Å; L84-V104 HydrophobicContact CD1-CG2 4.49Å; L84-V104 HydrophobicContact CD2-CG1 3.97Å; L84-I163 HydrophobicContact CD1-CG2 3.59Å
85D98.1Very high97.2Very high65 Ų6545.4 Ų45.435%0.34823%0.229SC..  trans-96.2126.3164.5170.628.6000109.7E87 S88 Y93D85-E87 VanDerWaalsContact C-N 3.32Å; D85-E87 PolarHBondContact OD1-N 3.42Å; D85-S88 WeakPolarHBondContact O-CB 3.44Å; D85-S88 PolarHBondContact O-N 3.24Å; D85-S88 WeakPolarHBondContact OD2-CB 3.2Å; D85-S88 PolarHBondContact OD2-N 3.38Å; D85-S88 VanDerWaalsContact OD2-N 3.16Å; D85-S88 PolarHBondContact OD2-OG 2.87Å; D85-Y93 PolarHBondContact N-OH 2.98Å; D85-Y93 PolarHBondContact O-OH 3.22Å
86I97.7Very high96.7Very high6 Ų648.1 Ų48.13%0.03124%0.242CC..SBendtrans-72.4-25.3-177.958.7169.2000112.7Y79 L84 V104 S105 W311Y79-I86 HydrophobicContact CD1-CD1 4.4Å; Y79-I86 HydrophobicContact CD1-CG2 3.98Å; Y79-I86 HydrophobicContact CD2-CG2 4.49Å; Y79-I86 HydrophobicContact CE1-CD1 3.77Å; Y79-I86 HydrophobicContact CE1-CG1 4.16Å; Y79-I86 HydrophobicContact CE1-CG2 4.36Å; Y79-I86 HydrophobicContact CE2-CG1 4.48Å; Y79-I86 HydrophobicContact CG-CG2 4.06Å; L84-I86 HydrophobicContact CD2-CG2 3.77Å; I86-V104 PolarHBondContact O-N 3.47Å; I86-S105 PolarHBondContact O-N 3.48Å; I86-W311 HydrophobicContact CD1-CD2 4.39Å; I86-W311 HydrophobicContact CD1-CG 4.42Å; I86-W311 HydrophobicContact CD1-CZ2 4.11Å; I86-W311 HydrophobicContact CG2-CH2 4.2Å; I86-W311 HydrophobicContact CG2-CZ2 3.75Å
87E97.6Very high96.4Very high115 Ų11548.2 Ų48.254%0.53724%0.242SC..SBendtrans-88.4-12.5179.2-62-52.7139.500112.3D85 T103D85-E87 VanDerWaalsContact C-N 3.32Å; D85-E87 PolarHBondContact OD1-N 3.42Å; E87-T103 WeakPolarHBondContact O-CG2 3.3Å
88S98.1Very high95.9Very high26 Ų2650.7 Ų50.718%0.18226%0.259CS..SBendtrans-66145.7173.6-77.60000111.6D85 T103 V104D85-S88 WeakPolarHBondContact O-CB 3.44Å; D85-S88 PolarHBondContact O-N 3.24Å; D85-S88 WeakPolarHBondContact OD2-CB 3.2Å; D85-S88 PolarHBondContact OD2-N 3.38Å; D85-S88 VanDerWaalsContact OD2-N 3.16Å; D85-S88 PolarHBondContact OD2-OG 2.87Å; S88-T103 WeakPolarHBondContact O-CA 3.38Å; S88-V104 PolarHBondContact O-N 3.35Å; S88-V104 VanDerWaalsContact O-N 3.08Å
89S97.5Very high95.5Very high34 Ų3451.7 Ų51.724%0.23827%0.265CS..BIsolated β-bridgetrans-64.5148.9177.469.10000111.1Q91 H92 V102S89-Q91 PolarHBondContact O-N 2.99Å; S89-H92 WeakPolarHBondContact O-CB 3.35Å; S89-H92 PolarHBondContact O-N 3.13Å; S89-H92 PolarHBondContact OG-N 3.13Å; S89-V102 CarbonylContact C-O 3.42Å; S89-V102 VanDerWaalsContact CA-O 3.3Å; S89-V102 WeakPolarHBondContact CA-O 3.43Å
90I96.7Very high95.2Very high0 Ų050.7 Ų50.70%027%0.273CS..Hα-helixtrans-57.1-34.1171.2-63.4176.2000110.2H92 Y93 L94 F97 V102 L107 I163I90-H92 PolarHBondContact O-N 3.31Å; I90-Y93 PolarHBondContact O-N 3.35Å; I90-L94 HydrophobicContact CG2-CB 4.3Å; I90-L94 HydrophobicContact CG2-CD1 4.06Å; I90-L94 HydrophobicContact CG2-CG 4.49Å; I90-L94 PolarHBondContact O-N 2.67Å; I90-F97 HydrophobicContact CB-CD1 3.94Å; I90-F97 HydrophobicContact CB-CE1 4.09Å; I90-F97 HydrophobicContact CB-CG 4.34Å; I90-F97 HydrophobicContact CD1-CE1 4.09Å; I90-F97 HydrophobicContact CD1-CZ 3.99Å; I90-F97 HydrophobicContact CG2-CB 4.11Å; I90-F97 HydrophobicContact CG2-CD1 3.87Å; I90-F97 HydrophobicContact CG2-CD2 4.05Å; I90-F97 HydrophobicContact CG2-CE1 4.22Å; I90-F97 HydrophobicContact CG2-CE2 4.41Å; I90-F97 HydrophobicContact CG2-CG 3.75Å; I90-F97 HydrophobicContact CG2-CZ 4.46Å; I90-V102 HydrophobicContact CD1-CB 4.47Å; I90-V102 HydrophobicContact CD1-CG1 3.66Å; I90-V102 HydrophobicContact CG1-CG1 4.38Å; I90-V102 PolarHBondContact N-O 2.88Å; I90-L107 HydrophobicContact CD1-CB 4.05Å; I90-I163 HydrophobicContact CG2-CD1 4.48Å
91Q95.8Very high94.9Very high62 Ų6255.8 Ų55.829%0.2930%0.3SS..Hα-helixtrans-58.8-29.3175-73.4-175.4-39.100114.1S89 Y93 L94 P95 F97S89-Q91 PolarHBondContact O-N 2.99Å; Q91-Y93 PolarHBondContact O-N 3.23Å; Q91-L94 WeakPolarHBondContact CA-O 3.41Å; Q91-L94 CarbonylContact O-C 3.49Å; Q91-P95 VanDerWaalsContact O-CA 3.27Å; Q91-P95 WeakPolarHBondContact O-CA 3.4Å; Q91-F97 HydrophobicContact CG-CB 4.27Å; Q91-F97 HydrophobicContact CG-CD1 4.27Å; Q91-F97 WeakPolarHBondContact CG-O 3.29Å; Q91-F97 PolarHBondContact NE2-O 2.97Å
92H96.6Very high94.9Very high127 Ų12752.9 Ų52.959%0.58829%0.285SS*.Hα-helixtrans-59-39.1174.7-17981.7000111.4S89 I90S89-H92 WeakPolarHBondContact O-CB 3.35Å; S89-H92 PolarHBondContact O-N 3.13Å; S89-H92 PolarHBondContact OG-N 3.13Å; I90-H92 PolarHBondContact O-N 3.31Å
93Y96.2Very high94.9Very high22 Ų2245.6 Ų45.69%0.08625%0.252CS..Hα-helixtrans-94.2-33.6-178.7-51.7-73.2000112.9D85 I90 Q91 V104 I163 K166 V167D85-Y93 PolarHBondContact N-OH 2.98Å; D85-Y93 PolarHBondContact O-OH 3.22Å; I90-Y93 PolarHBondContact O-N 3.35Å; Q91-Y93 PolarHBondContact O-N 3.23Å; Y93-V104 HydrophobicContact CD2-CG2 3.97Å; Y93-V104 HydrophobicContact CE2-CG2 3.58Å; Y93-I163 HydrophobicContact CD2-CG2 4.49Å; Y93-I163 HydrophobicContact CG-CG2 4.34Å; Y93-K166 WeakPolarHBondContact O-CG 3.26Å; Y93-V167 HydrophobicContact CD1-CG1 3.31Å; Y93-V167 HydrophobicContact CE1-CG1 3.52Å; Y93-V167 HydrophobicContact CG-CG1 4.26Å
94L94.9Very high94.9Very high0 Ų043.2 Ų43.20%024%0.239CC..  trans-125.979.9-178.3-59.2178.6000109.3I90 Q91 Q96 F97 L134 A162 I163 K166I90-L94 HydrophobicContact CG2-CB 4.3Å; I90-L94 HydrophobicContact CG2-CD1 4.06Å; I90-L94 HydrophobicContact CG2-CG 4.49Å; I90-L94 PolarHBondContact O-N 2.67Å; Q91-L94 WeakPolarHBondContact CA-O 3.41Å; Q91-L94 CarbonylContact O-C 3.49Å; L94-Q96 PolarHBondContact O-N 2.81Å; L94-F97 HydrophobicContact CB-CB 4.27Å; L94-F97 VanDerWaalsContact O-CB 3.22Å; L94-F97 WeakPolarHBondContact O-CB 3.5Å; L94-F97 PolarHBondContact O-N 2.94Å; L94-L134 HydrophobicContact CD2-CD2 4.34Å; L94-A162 HydrophobicContact CD1-CB 3.9Å; L94-A162 HydrophobicContact CD2-CB 4.06Å; L94-I163 HydrophobicContact CD1-CG1 3.94Å; L94-I163 HydrophobicContact CG-CG1 4.26Å; L94-K166 HydrophobicContact CD2-CG 3.82Å
95P93.2Very high94.9Very high98 Ų9844.1 Ų44.164%0.63625%0.246SC*.THydrogen-bonded Turntrans-56.2-24.4-174.1-28.336.2000115.1Q91 F97Q91-P95 VanDerWaalsContact O-CA 3.27Å; Q91-P95 WeakPolarHBondContact O-CA 3.4Å; P95-F97 VanDerWaalsContact C-N 3.31Å
96Q90Very high94.8Very high58 Ų5841.5 Ų41.527%0.27123%0.232SC..THydrogen-bonded Turntrans-84-1.7178.873.6-82.518.400113.8L94 V98 I138 N139L94-Q96 PolarHBondContact O-N 2.81Å; Q96-V98 PolarHBondContact O-N 3.29Å; Q96-I138 HydrophobicContact CB-CD1 4.43Å; Q96-I138 HydrophobicContact CG-CD1 3.14Å; Q96-I138 HydrophobicContact CG-CG1 3.76Å; Q96-N139 PolarHBondContact O-OD1 2.86Å
97F92.3Very high94.8Very high1 Ų141.2 Ų41.20%0.00423%0.23CC..  trans-68119.9171.2-173.3-103.6000109.7I90 Q91 L94 P95 V99 V102 F114 I138 L159I90-F97 HydrophobicContact CB-CD1 3.94Å; I90-F97 HydrophobicContact CB-CE1 4.09Å; I90-F97 HydrophobicContact CB-CG 4.34Å; I90-F97 HydrophobicContact CD1-CE1 4.09Å; I90-F97 HydrophobicContact CD1-CZ 3.99Å; I90-F97 HydrophobicContact CG2-CB 4.11Å; I90-F97 HydrophobicContact CG2-CD1 3.87Å; I90-F97 HydrophobicContact CG2-CD2 4.05Å; I90-F97 HydrophobicContact CG2-CE1 4.22Å; I90-F97 HydrophobicContact CG2-CE2 4.41Å; I90-F97 HydrophobicContact CG2-CG 3.75Å; I90-F97 HydrophobicContact CG2-CZ 4.46Å; Q91-F97 HydrophobicContact CG-CB 4.27Å; Q91-F97 HydrophobicContact CG-CD1 4.27Å; Q91-F97 WeakPolarHBondContact CG-O 3.29Å; Q91-F97 PolarHBondContact NE2-O 2.97Å; L94-F97 HydrophobicContact CB-CB 4.27Å; L94-F97 VanDerWaalsContact O-CB 3.22Å; L94-F97 WeakPolarHBondContact O-CB 3.5Å; L94-F97 PolarHBondContact O-N 2.94Å; P95-F97 VanDerWaalsContact C-N 3.31Å; F97-V99 VanDerWaalsContact C-N 3.35Å; F97-V99 HydrophobicContact CD1-CB 4.29Å; F97-V99 WeakPolarHBondContact CD1-O 3.34Å; F97-V99 HydrophobicContact CE1-CB 3.73Å; F97-V99 HydrophobicContact CE1-CG2 4.3Å; F97-V99 HydrophobicContact CZ-CB 4.33Å; F97-V99 HydrophobicContact CZ-CG2 4.46Å; F97-V99 PolarHBondContact O-N 2.72Å; F97-V102 HydrophobicContact CE1-CB 4.11Å; F97-V102 HydrophobicContact CE1-CG1 4.4Å; F97-V102 HydrophobicContact CE1-CG2 4.5Å; F97-F114 HydrophobicContact CE1-CE2 4.31Å; F97-F114 AromaticContact CE2-CD2 3.84Å; F97-F114 HydrophobicContact CE2-CD2 3.84Å; F97-F114 AromaticContact CE2-CE2 3.46Å; F97-F114 HydrophobicContact CE2-CE2 3.46Å; F97-F114 VanDerWaalsContact CE2-CE2 3.46Å; F97-F114 HydrophobicContact CE2-CZ 4.14Å; F97-F114 AromaticContact CZ-CD2 3.76Å; F97-F114 HydrophobicContact CZ-CD2 3.76Å; F97-F114 AromaticContact CZ-CE2 3.29Å; F97-F114 HydrophobicContact CZ-CE2 3.29Å; F97-F114 HydrophobicContact CZ-CZ 4.25Å; F97-I138 HydrophobicContact CD2-CB 4.19Å; F97-I138 HydrophobicContact CD2-CG2 3.96Å; F97-L159 HydrophobicContact CD2-CD2 4.49Å; F97-L159 HydrophobicContact CE2-CD1 4.49Å; F97-L159 HydrophobicContact CE2-CD2 4.35Å
98V87.1Confident94.8Very high73 Ų7335.7 Ų35.744%0.44221%0.205SC..  trans-77.4-17-165.5-61.30000114.8Q96 Q140Q96-V98 PolarHBondContact O-N 3.29Å; V98-Q140 WeakPolarHBondContact CG2-O 3.46Å
99V89.9Confident94.8Very high20 Ų2034.7 Ų34.712%0.12120%0.197CC..  trans-93.4117.6-175.3-167.30000110.5F97 V102 F114 P142 P146F97-V99 VanDerWaalsContact C-N 3.35Å; F97-V99 HydrophobicContact CD1-CB 4.29Å; F97-V99 WeakPolarHBondContact CD1-O 3.34Å; F97-V99 HydrophobicContact CE1-CB 3.73Å; F97-V99 HydrophobicContact CE1-CG2 4.3Å; F97-V99 HydrophobicContact CZ-CB 4.33Å; F97-V99 HydrophobicContact CZ-CG2 4.46Å; F97-V99 PolarHBondContact O-N 2.72Å; V99-V102 HydrophobicContact CB-CG2 4.11Å; V99-V102 HydrophobicContact CG1-CG2 3.54Å; V99-F114 HydrophobicContact CG2-CE2 3.69Å; V99-F114 HydrophobicContact CG2-CZ 3.67Å; V99-P142 HydrophobicContact CG2-CB 4.3Å; V99-P142 HydrophobicContact CG2-CG 3.82Å; V99-P146 HydrophobicContact CG1-CG 3.73Å
100A90.7Very high94.7Very high57 Ų5733.3 Ų33.347%0.47119%0.187SC..THydrogen-bonded Turntrans-72.5152.5176.200000112.3V102A100-V102 PolarHBondContact O-N 2.65Å; A100-V102 VanDerWaalsContact O-N 3.08Å
101N91.2Very high94.6Very high125 Ų12534.4 Ų34.467%0.66819%0.192SC*.THydrogen-bonded Turntrans59.516.7171.2-55.7-32.2000116.8R147N101-R147 PolarHBondContact O-NH2 3.06Å; N101-R147 VanDerWaalsContact O-NH2 3.11Å
102V95.8Very high94.5Very high2 Ų231.4 Ų31.41%0.01218%0.178CC..  trans-85.8120.5164.8177.60000107.9S89 I90 F97 V99 A100 D106 P146S89-V102 CarbonylContact C-O 3.42Å; S89-V102 VanDerWaalsContact CA-O 3.3Å; S89-V102 WeakPolarHBondContact CA-O 3.43Å; I90-V102 HydrophobicContact CD1-CB 4.47Å; I90-V102 HydrophobicContact CD1-CG1 3.66Å; I90-V102 HydrophobicContact CG1-CG1 4.38Å; I90-V102 PolarHBondContact N-O 2.88Å; F97-V102 HydrophobicContact CE1-CB 4.11Å; F97-V102 HydrophobicContact CE1-CG1 4.4Å; F97-V102 HydrophobicContact CE1-CG2 4.5Å; V99-V102 HydrophobicContact CB-CG2 4.11Å; V99-V102 HydrophobicContact CG1-CG2 3.54Å; A100-V102 PolarHBondContact O-N 2.65Å; A100-V102 VanDerWaalsContact O-N 3.08Å; V102-D106 HydrophobicContact CG1-CB 3.85Å; V102-P146 HydrophobicContact CG2-CB 3.81Å; V102-P146 HydrophobicContact CG2-CG 4.19Å
103T97.7Very high94.4Very high14 Ų1425.4 Ų25.49%0.08615%0.15CC..BIsolated β-bridgetrans-90.4170-176.668.70000112.2E87 S88 S105 D106 L107E87-T103 WeakPolarHBondContact O-CG2 3.3Å; S88-T103 WeakPolarHBondContact O-CA 3.38Å; T103-S105 PolarHBondContact O-N 3.19Å; T103-S105 WeakPolarHBondContact OG1-CB 3.28Å; T103-S105 PolarHBondContact OG1-N 3.04Å; T103-D106 PolarHBondContact N-OD2 3.05Å; T103-D106 WeakPolarHBondContact O-CB 3.45Å; T103-D106 PolarHBondContact O-N 3.11Å; T103-D106 PolarHBondContact OG1-N 3.36Å; T103-D106 VanDerWaalsContact OG1-N 3.08Å; T103-D106 PolarHBondContact OG1-OD2 2.91Å; T103-L107 PolarHBondContact O-N 3.37Å; T103-L107 VanDerWaalsContact O-N 3.14Å
104V98.1Very high94.2Very high0 Ų024.4 Ų24.40%015%0.146CC..Hα-helixtrans-63.7-34.3168.7172.90000111F75 L84 I86 S88 Y93 L107 L108 I163F75-V104 HydrophobicContact CD1-CG1 3.59Å; F75-V104 HydrophobicContact CE1-CG1 3.55Å; L84-V104 HydrophobicContact CD1-CG1 4.34Å; L84-V104 HydrophobicContact CD1-CG2 4.49Å; L84-V104 HydrophobicContact CD2-CG1 3.97Å; I86-V104 PolarHBondContact O-N 3.47Å; S88-V104 PolarHBondContact O-N 3.35Å; S88-V104 VanDerWaalsContact O-N 3.08Å; Y93-V104 HydrophobicContact CD2-CG2 3.97Å; Y93-V104 HydrophobicContact CE2-CG2 3.58Å; V104-L107 WeakPolarHBondContact O-CB 3.14Å; V104-L107 PolarHBondContact O-N 3.34Å; V104-L107 VanDerWaalsContact O-N 3.1Å; V104-L108 HydrophobicContact CG1-CD1 4.26Å; V104-L108 HydrophobicContact CG1-CG 4.34Å; V104-L108 WeakPolarHBondContact O-CG 3.46Å; V104-L108 PolarHBondContact O-N 2.73Å; V104-I163 HydrophobicContact CG2-CD1 4.39Å
105S97.6Very high94.1Very high22 Ų2224.4 Ų24.415%0.15415%0.146CC..Hα-helixtrans-57.6-47.6171.4-166.30000111.1I86 T103 L107 L108 T109I86-S105 PolarHBondContact O-N 3.48Å; T103-S105 PolarHBondContact O-N 3.19Å; T103-S105 WeakPolarHBondContact OG1-CB 3.28Å; T103-S105 PolarHBondContact OG1-N 3.04Å; S105-L107 PolarHBondContact O-N 3.1Å; S105-L108 PolarHBondContact O-N 2.95Å; S105-L108 VanDerWaalsContact O-N 3.1Å; S105-T109 WeakPolarHBondContact O-CG2 3.34Å; S105-T109 PolarHBondContact O-N 3.48Å; S105-T109 PolarHBondContact O-OG1 2.78Å
106D96.9Very high93.9Very high9 Ų921 Ų215%0.04812%0.121CC..Hα-helixtrans-59.9-32.5174.7-65.3-44.5000112.2V102 T103 Q111 S112 R147V102-D106 HydrophobicContact CG1-CB 3.85Å; T103-D106 PolarHBondContact N-OD2 3.05Å; T103-D106 WeakPolarHBondContact O-CB 3.45Å; T103-D106 PolarHBondContact O-N 3.11Å; T103-D106 PolarHBondContact OG1-N 3.36Å; T103-D106 VanDerWaalsContact OG1-N 3.08Å; T103-D106 PolarHBondContact OG1-OD2 2.91Å; D106-Q111 HydrophobicContact CB-CB 4.17Å; D106-Q111 CarbonylContact O-C 3.58Å; D106-Q111 VanDerWaalsContact O-C 3.29Å; D106-Q111 VanDerWaalsContact O-CA 3.23Å; D106-Q111 WeakPolarHBondContact O-CA 3.37Å; D106-Q111 WeakPolarHBondContact O-CB 3.44Å; D106-Q111 PolarHBondContact O-N 3.26Å; D106-S112 PolarHBondContact O-N 2.67Å; D106-S112 VanDerWaalsContact O-N 3.09Å; D106-R147 IonicContact OD1-CZ 2.91Å; D106-R147 IonicContact OD1-NH1 4Å; D106-R147 IonicContact OD2-CZ 3.45Å; D106-R147 IonicContact OD2-NE 3.58Å; D106-R147 IonicContact OD2-NH2 2.69Å; D106-R147 PolarHBondContact OD2-NH2 3.04Å
107L97.2Very high93.8Very high0 Ų018.9 Ų18.90%011%0.111CC..Hα-helixtrans-67.4-49.1172.917763000111.8I90 T103 V104 S105 T109 H110 M156 L159 I163I90-L107 HydrophobicContact CD1-CB 4.05Å; T103-L107 PolarHBondContact O-N 3.37Å; T103-L107 VanDerWaalsContact O-N 3.14Å; V104-L107 WeakPolarHBondContact O-CB 3.14Å; V104-L107 PolarHBondContact O-N 3.34Å; V104-L107 VanDerWaalsContact O-N 3.1Å; S105-L107 PolarHBondContact O-N 3.1Å; L107-T109 VanDerWaalsContact C-N 3.28Å; L107-T109 PolarHBondContact O-N 3.34Å; L107-H110 PolarHBondContact O-N 3.14Å; L107-M156 HydrophobicContact CD1-CB 4.48Å; L107-M156 HydrophobicContact CD1-CG 4.17Å; L107-L159 HydrophobicContact CD1-CB 4.15Å; L107-L159 HydrophobicContact CD1-CD1 4Å; L107-L159 HydrophobicContact CD2-CB 4.18Å; L107-I163 HydrophobicContact CD2-CD1 3.59Å
108L97.7Very high93.4Very high0 Ų023.3 Ų23.30%014%0.138CC..Hα-helixtrans-64.6-31.9-177.9-67.7176.9000112.4V71 F75 V104 S105 H110 M156 W311 G335V71-L108 HydrophobicContact CG1-CD2 3.66Å; F75-L108 HydrophobicContact CB-CD1 4.37Å; F75-L108 HydrophobicContact CB-CD2 4.33Å; F75-L108 HydrophobicContact CD1-CD1 4.16Å; F75-L108 HydrophobicContact CD1-CD2 3.87Å; F75-L108 HydrophobicContact CD1-CG 4.27Å; F75-L108 HydrophobicContact CE1-CD2 4.41Å; F75-L108 HydrophobicContact CG-CD2 4.07Å; V104-L108 HydrophobicContact CG1-CD1 4.26Å; V104-L108 HydrophobicContact CG1-CG 4.34Å; V104-L108 WeakPolarHBondContact O-CG 3.46Å; V104-L108 PolarHBondContact O-N 2.73Å; S105-L108 PolarHBondContact O-N 2.95Å; S105-L108 VanDerWaalsContact O-N 3.1Å; L108-H110 VanDerWaalsContact C-N 3.32Å; L108-M156 HydrophobicContact CD2-CE 4.06Å; L108-W311 HydrophobicContact CD1-CH2 4.01Å; L108-W311 HydrophobicContact CD1-CZ2 3.81Å; L108-G335 WeakPolarHBondContact O-CA 3.32Å
109T96.6Very high93.1Very high4 Ų422.3 Ų22.33%0.02514%0.143CC..THydrogen-bonded Turntrans-91.714.7179.561.60000113.8S105 L107 Q111 V316 L331S105-T109 WeakPolarHBondContact O-CG2 3.34Å; S105-T109 PolarHBondContact O-N 3.48Å; S105-T109 PolarHBondContact O-OG1 2.78Å; L107-T109 VanDerWaalsContact C-N 3.28Å; L107-T109 PolarHBondContact O-N 3.34Å; T109-Q111 VanDerWaalsContact C-N 3.33Å; T109-Q111 PolarHBondContact O-N 2.87Å; T109-Q111 PolarHBondContact OG1-OE1 2.97Å; T109-V316 HydrophobicContact CG2-CG2 3.89Å; T109-L331 WeakPolarHBondContact O-CD1 3.33Å
110H95.4Very high92.4Very high6 Ų628.4 Ų28.43%0.02817%0.169CC..THydrogen-bonded Turntrans59.940.2179-64.6-70.6000113.8L107 L108 Q149 V150 F151 H152 M156 L331L107-H110 PolarHBondContact O-N 3.14Å; L108-H110 VanDerWaalsContact C-N 3.32Å; H110-Q149 WeakPolarHBondContact O-CA 3.37Å; H110-V150 WeakPolarHBondContact CB-O 3.45Å; H110-V150 PolarHBondContact O-N 3.21Å; H110-F151 AromaticContact CD2-CD2 3.98Å; H110-F151 AromaticContact CE1-CD2 3.53Å; H110-F151 AromaticContact CE1-CE2 3.65Å; H110-F151 AromaticContact NE2-CD2 3.46Å; H110-F151 WeakPolarHBondContact NE2-CD2 3.2Å; H110-F151 AromaticContact NE2-CE2 3.53Å; H110-H152 VanDerWaalsContact CA-ND1 3.32Å; H110-H152 WeakPolarHBondContact CA-ND1 3.37Å; H110-H152 WeakPolarHBondContact CB-ND1 2.97Å; H110-H152 PolarHBondContact CE1-O 3.41Å; H110-H152 AromaticContact CG-ND1 3.94Å; H110-H152 WeakPolarHBondContact ND1-CB 3.48Å; H110-H152 AromaticContact ND1-CG 3.9Å; H110-H152 PolarHBondContact ND1-N 3.39Å; H110-H152 AromaticContact ND1-ND1 3.54Å; H110-H152 PolarHBondContact ND1-O 2.75Å; H110-H152 PolarHBondContact O-CE1 2.88Å; H110-M156 PolarHBondContact CE1-SD 3.31Å; H110-L331 HydrophobicContact CB-CD1 4.36Å
111Q95.3Very high92.3Very high22 Ų2226.2 Ų26.210%0.10315%0.151CC..  trans-1238-174.4-80.8-179.4-66.500113.2D106 T109 G113 R147 Q149D106-Q111 HydrophobicContact CB-CB 4.17Å; D106-Q111 CarbonylContact O-C 3.58Å; D106-Q111 VanDerWaalsContact O-C 3.29Å; D106-Q111 VanDerWaalsContact O-CA 3.23Å; D106-Q111 WeakPolarHBondContact O-CA 3.37Å; D106-Q111 WeakPolarHBondContact O-CB 3.44Å; D106-Q111 PolarHBondContact O-N 3.26Å; T109-Q111 VanDerWaalsContact C-N 3.33Å; T109-Q111 PolarHBondContact O-N 2.87Å; T109-Q111 PolarHBondContact OG1-OE1 2.97Å; Q111-G113 PolarHBondContact O-N 3.08Å; Q111-R147 PolarHBondContact NE2-O 3.44Å; Q111-R147 PolarHBondContact O-N 2.95Å; Q111-Q149 HydrophobicContact CG-CB 4.01Å
112S94.7Very high92.3Very high0 Ų022 Ų220%013%0.132CC..SBendtrans-70.2-13.4-178.665.10000115.2D106 F114 H152D106-S112 PolarHBondContact O-N 2.67Å; D106-S112 VanDerWaalsContact O-N 3.09Å; S112-F114 VanDerWaalsContact O-CD2 3.31Å; S112-F114 WeakPolarHBondContact O-CD2 3.33Å; S112-H152 PolarHBondContact OG-CD2 3.06Å; S112-H152 VanDerWaalsContact OG-CD2 3.31Å; S112-H152 PolarHBondContact OG-NE2 3.1Å; S112-H152 VanDerWaalsContact OG-NE2 3.11Å
113G93.3Very high92.2Very high0 Ų022 Ų220%013%0.131CC..SBendtrans88.3-2.7-178.100000115.7Q111 P115 P143 V144Q111-G113 PolarHBondContact O-N 3.08Å; G113-P115 WeakPolarHBondContact O-CD 3.29Å; G113-P143 VanDerWaalsContact O-CD 3.31Å; G113-P143 WeakPolarHBondContact O-CD 3.38Å; G113-V144 WeakPolarHBondContact CA-O 3.49Å; G113-V144 PolarHBondContact O-N 3.11Å; G113-V144 VanDerWaalsContact O-N 3.11Å
114F93.4Very high91.9Very high1 Ų122.5 Ų22.50%0.00414%0.138CC..  trans-112.253.1-176.7-65.8-83.1000115.9F97 V99 S112 Y116 F117 Q140 P142 H152 S155F97-F114 HydrophobicContact CE1-CE2 4.31Å; F97-F114 AromaticContact CE2-CD2 3.84Å; F97-F114 HydrophobicContact CE2-CD2 3.84Å; F97-F114 AromaticContact CE2-CE2 3.46Å; F97-F114 HydrophobicContact CE2-CE2 3.46Å; F97-F114 VanDerWaalsContact CE2-CE2 3.46Å; F97-F114 HydrophobicContact CE2-CZ 4.14Å; F97-F114 AromaticContact CZ-CD2 3.76Å; F97-F114 HydrophobicContact CZ-CD2 3.76Å; F97-F114 AromaticContact CZ-CE2 3.29Å; F97-F114 HydrophobicContact CZ-CE2 3.29Å; F97-F114 HydrophobicContact CZ-CZ 4.25Å; V99-F114 HydrophobicContact CG2-CE2 3.69Å; V99-F114 HydrophobicContact CG2-CZ 3.67Å; S112-F114 VanDerWaalsContact O-CD2 3.31Å; S112-F114 WeakPolarHBondContact O-CD2 3.33Å; F114-Y116 CarbonylContact C-O 3.58Å; F114-Y116 PolarHBondContact O-N 3.19Å; F114-F117 HydrophobicContact CB-CD1 4.49Å; F114-F117 HydrophobicContact CB-CE1 4.13Å; F114-F117 HydrophobicContact CD1-CD1 4.23Å; F114-F117 HydrophobicContact CD1-CE1 4.37Å; F114-Q140 HydrophobicContact CD1-CG 4.44Å; F114-Q140 HydrophobicContact CE1-CG 3.79Å; F114-P142 HydrophobicContact CD2-CB 4.37Å; F114-P142 HydrophobicContact CE1-CB 4.05Å; F114-P142 HydrophobicContact CE2-CB 3.87Å; F114-P142 HydrophobicContact CZ-CB 3.72Å; F114-P142 HydrophobicContact CZ-CG 4.45Å; F114-H152 PolarHBondContact N-NE2 3.28Å; F114-H152 PolarHBondContact O-CD2 2.87Å; F114-S155 WeakPolarHBondContact O-CB 3.28Å; F114-S155 PolarHBondContact O-OG 2.89Å
115P91.4Very high91.8Very high0 Ų026 Ų260%015%0.153CC..SBendtrans-60.3-23.9-17926.4-34000112.3G113 V144 V150 H152 S155G113-P115 WeakPolarHBondContact O-CD 3.29Å; P115-V144 HydrophobicContact CG-CB 4.4Å; P115-V144 HydrophobicContact CG-CG2 3.67Å; P115-V150 HydrophobicContact CB-CB 4.35Å; P115-V150 HydrophobicContact CB-CG1 3.74Å; P115-V150 HydrophobicContact CG-CB 4.37Å; P115-V150 HydrophobicContact CG-CG1 3.92Å; P115-H152 VanDerWaalsContact CA-CD2 3.43Å; P115-H152 WeakPolarHBondContact CA-CD2 3.37Å; P115-H152 VanDerWaalsContact N-NE2 3.15Å; P115-S155 PolarHBondContact O-OG 3.46Å
116Y90.5Very high91.6Very high28 Ų2825.9 Ų25.911%0.1115%0.149CC..SBendtrans-143175.916851.8-93.5000109.4F114 P143 E240 M243 A244F114-Y116 CarbonylContact C-O 3.58Å; F114-Y116 PolarHBondContact O-N 3.19Å; Y116-P143 HydrophobicContact CD2-CB 4.01Å; Y116-P143 HydrophobicContact CD2-CG 3.79Å; Y116-P143 HydrophobicContact CE1-CB 4.32Å; Y116-P143 HydrophobicContact CE2-CB 3.32Å; Y116-P143 HydrophobicContact CE2-CG 3.58Å; Y116-P143 VanDerWaalsContact CZ-CB 3.49Å; Y116-P143 WeakPolarHBondContact O-CG 3.4Å; Y116-E240 HydrophobicContact CE1-CB 4.36Å; Y116-E240 HydrophobicContact CE1-CG 4.48Å; Y116-M243 WeakPolarHBondContact CB-O 3.44Å; Y116-M243 HydrophobicContact CD1-CB 3.77Å; Y116-M243 HydrophobicContact CD2-CB 4Å; Y116-M243 HydrophobicContact CD2-CE 3.48Å; Y116-M243 VanDerWaalsContact CD2-CE 3.48Å; Y116-M243 HydrophobicContact CD2-SD 4.26Å; Y116-M243 HydrophobicContact CE1-CB 4.29Å; Y116-M243 HydrophobicContact CE2-CB 4.46Å; Y116-M243 HydrophobicContact CE2-CE 3.43Å; Y116-M243 VanDerWaalsContact CE2-CE 3.43Å; Y116-M243 HydrophobicContact CE2-SD 3.94Å; Y116-M243 HydrophobicContact CG-CB 3.62Å; Y116-M243 HydrophobicContact CG-CE 4.32Å; Y116-A244 HydrophobicContact CD1-CB 4.48Å
117F87.9Confident91.5Very high12 Ų1231.1 Ų31.15%0.05317%0.168CC..  trans-108.3149.3175.5-60.2-48.2000109.6F114 I137 S155 L158 V247F114-F117 HydrophobicContact CB-CD1 4.49Å; F114-F117 HydrophobicContact CB-CE1 4.13Å; F114-F117 HydrophobicContact CD1-CD1 4.23Å; F114-F117 HydrophobicContact CD1-CE1 4.37Å; F117-I137 HydrophobicContact CB-CG2 4.48Å; F117-I137 HydrophobicContact CD1-CB 3.86Å; F117-I137 HydrophobicContact CD1-CG2 4.37Å; F117-I137 HydrophobicContact CD2-CB 3.79Å; F117-I137 HydrophobicContact CD2-CG2 3.41Å; F117-I137 VanDerWaalsContact CD2-CG2 3.41Å; F117-I137 HydrophobicContact CE1-CB 3.78Å; F117-I137 HydrophobicContact CE1-CD1 4.45Å; F117-I137 HydrophobicContact CE1-CG1 4.47Å; F117-I137 HydrophobicContact CE1-CG2 4.49Å; F117-I137 HydrophobicContact CE2-CB 3.75Å; F117-I137 HydrophobicContact CE2-CD1 3.99Å; F117-I137 HydrophobicContact CE2-CG1 4.44Å; F117-I137 HydrophobicContact CE2-CG2 3.61Å; F117-I137 HydrophobicContact CG-CB 3.85Å; F117-I137 HydrophobicContact CG-CG2 3.83Å; F117-I137 HydrophobicContact CZ-CB 3.72Å; F117-I137 HydrophobicContact CZ-CD1 3.74Å; F117-I137 HydrophobicContact CZ-CG1 4.18Å; F117-I137 HydrophobicContact CZ-CG2 4.14Å; F117-S155 VanDerWaalsContact CZ-CA 3.46Å; F117-L158 HydrophobicContact CE2-CD1 3.93Å; F117-V247 HydrophobicContact CD2-CG1 3.57Å; F117-V247 HydrophobicContact CE2-CG1 4.02Å
118V83.7Confident91.3Very high95 Ų9536.4 Ų36.458%0.57620%0.196SC*.SBendtrans-77.8124169.3-173.80000108.3Q140 P143V118-Q140 VanDerWaalsContact CA-OE1 3.24Å; V118-Q140 PolarHBondContact O-OE1 3.19Å; V118-Q140 VanDerWaalsContact O-OE1 3.1Å; V118-P143 HydrophobicContact CG2-CG 4.1Å
119G80.7Confident91.2Very high52 Ų5239.2 Ų39.254%0.53621%0.211SC..SBendtrans91.5-160.7-174.500000112.2
120H74.2Confident91.1Very high147 Ų14741.5 Ų41.568%0.68122%0.222SC*.  trans-110128.9-165.6-68.3-65000110.8D249H120-D249 WeakPolarHBondContact CB-OD2 3.37Å; H120-D249 IonicContact CD2-OD2 3.24Å; H120-D249 IonicContact CE1-OD1 2.69Å; H120-D249 IonicContact CE1-OD2 3.48Å; H120-D249 IonicContact CG-OD1 3.77Å; H120-D249 IonicContact CG-OD2 3.26Å; H120-D249 IonicContact ND1-OD1 3.72Å; H120-D249 PolarHBondContact ND1-OD1 3.38Å; H120-D249 IonicContact ND1-OD2 3.93Å; H120-D249 PolarHBondContact ND1-OD2 3.17Å
121A88.6Confident91Very high11 Ų1149.7 Ų49.79%0.09125%0.252CS..BIsolated β-bridgetrans-104.8152.5167.400000109.8V247 F248 D249A121-V247 HydrophobicContact CB-CG1 4.07Å; A121-V247 WeakPolarHBondContact CB-O 3.42Å; A121-V247 PolarHBondContact N-O 2.97Å; A121-F248 HydrophobicContact CB-CD1 3.91Å; A121-F248 HydrophobicContact CB-CE1 4.24Å; A121-F248 VanDerWaalsContact O-CA 3.3Å; A121-F248 WeakPolarHBondContact O-CA 3.09Å; A121-D249 PolarHBondContact O-N 3.11Å
122S91.7Very high90.8Very high38 Ų3852.3 Ų52.327%0.26627%0.267SS..  trans-121.8130171.5158.50000109.3A124 K125 W126 D250S122-A124 VanDerWaalsContact C-N 3.34Å; S122-A124 PolarHBondContact OG-N 2.95Å; S122-K125 PolarHBondContact O-N 3.08Å; S122-K125 PolarHBondContact OG-N 3.34Å; S122-W126 PolarHBondContact O-N 2.84Å; S122-D250 WeakPolarHBondContact CA-OD1 3.16Å; S122-D250 PolarHBondContact OG-OD2 3.14Å
123L92.7Very high90.8Very high0 Ų052.7 Ų52.70%027%0.27CS..Hα-helixtrans-68.7-37175.7-174.959.9000110.7W126 R127 F248 D250 Y251 I264 L266L123-W126 WeakPolarHBondContact O-CB 3.31Å; L123-W126 PolarHBondContact O-N 3.14Å; L123-R127 PolarHBondContact O-N 2.92Å; L123-F248 HydrophobicContact CB-CB 4.39Å; L123-F248 HydrophobicContact CB-CD1 3.93Å; L123-F248 HydrophobicContact CB-CD2 4.34Å; L123-F248 HydrophobicContact CB-CE1 4.26Å; L123-F248 HydrophobicContact CB-CG 3.98Å; L123-F248 HydrophobicContact CD1-CE1 4.16Å; L123-F248 HydrophobicContact CD1-CE2 4.09Å; L123-F248 HydrophobicContact CD1-CZ 3.88Å; L123-D250 PolarHBondContact N-OD1 2.84Å; L123-D250 PolarHBondContact N-OD2 2.77Å; L123-Y251 HydrophobicContact CD2-CD2 3.55Å; L123-Y251 HydrophobicContact CD2-CE2 4.15Å; L123-Y251 HydrophobicContact CD2-CG 3.81Å; L123-I264 HydrophobicContact CD1-CG2 3.88Å; L123-I264 HydrophobicContact CD2-CD1 4.2Å; L123-I264 HydrophobicContact CG-CB 4.44Å; L123-I264 HydrophobicContact CG-CD1 3.79Å; L123-I264 HydrophobicContact CG-CG2 4.11Å; L123-L266 HydrophobicContact CD1-CB 4.35Å; L123-L266 HydrophobicContact CD1-CD1 4.15Å; L123-L266 HydrophobicContact CD1-CD2 3.95Å; L123-L266 HydrophobicContact CD1-CG 4.37Å; L123-L266 HydrophobicContact CD2-CD2 4.04Å
124A93.2Very high90.8Very high26 Ų2653.2 Ų53.222%0.21527%0.273CS..Hα-helixtrans-61.7-44.5172.100000111.5S122 W126 R127 D128 D250S122-A124 VanDerWaalsContact C-N 3.34Å; S122-A124 PolarHBondContact OG-N 2.95Å; A124-W126 VanDerWaalsContact C-N 3.31Å; A124-W126 PolarHBondContact O-N 3.1Å; A124-R127 WeakPolarHBondContact O-CB 3.39Å; A124-R127 PolarHBondContact O-N 3.35Å; A124-R127 VanDerWaalsContact O-N 3.15Å; A124-D128 PolarHBondContact O-N 3.33Å; A124-D250 WeakPolarHBondContact CB-OD2 3.13Å; A124-D250 PolarHBondContact N-OD2 2.97Å
125K94.5Very high90.7Very high74 Ų7456 Ų5632%0.32229%0.288SS..Hα-helixtrans-61.8-38.9174.3-168.1-176.8179.1177.80111.7S122 R127 D128 D129 A133 D136S122-K125 PolarHBondContact O-N 3.08Å; S122-K125 PolarHBondContact OG-N 3.34Å; K125-R127 VanDerWaalsContact C-N 3.32Å; K125-R127 PolarHBondContact O-N 3.28Å; K125-D128 PolarHBondContact O-N 3.5Å; K125-D129 CarbonylContact O-C 3.52Å; K125-D129 WeakPolarHBondContact O-CA 3.16Å; K125-D129 PolarHBondContact O-N 3.05Å; K125-A133 HydrophobicContact CD-CB 4.39Å; K125-A133 HydrophobicContact CG-CB 4.14Å; K125-D136 IonicContact NZ-OD1 3.06Å; K125-D136 IonicContact NZ-OD2 3.59Å; K125-D136 PolarHBondContact NZ-OD2 3.02Å
126W94.9Very high90.5Very high18 Ų1860 Ų607%0.06831%0.309CS..Hα-helixtrans-60.4-40.3174.3-175.6-96.8000112.6S122 L123 A124 H130 A133 L134 I137 L158 D161 A162S122-W126 PolarHBondContact O-N 2.84Å; L123-W126 WeakPolarHBondContact O-CB 3.31Å; L123-W126 PolarHBondContact O-N 3.14Å; A124-W126 VanDerWaalsContact C-N 3.31Å; A124-W126 PolarHBondContact O-N 3.1Å; W126-H130 WeakPolarHBondContact O-CA 3.21Å; W126-H130 WeakPolarHBondContact O-CB 3.16Å; W126-H130 PolarHBondContact O-N 3.26Å; W126-A133 HydrophobicContact CB-CB 4.42Å; W126-A133 HydrophobicContact CE3-CB 3.74Å; W126-A133 HydrophobicContact CZ3-CB 4.45Å; W126-L134 HydrophobicContact CH2-CB 4.48Å; W126-L134 HydrophobicContact CH2-CD1 4.47Å; W126-L134 HydrophobicContact CZ3-CB 4.06Å; W126-I137 HydrophobicContact CH2-CD1 4.42Å; W126-I137 HydrophobicContact CZ3-CD1 3.82Å; W126-L158 HydrophobicContact CD2-CD1 4.27Å; W126-L158 HydrophobicContact CD2-CD2 3.57Å; W126-L158 HydrophobicContact CD2-CG 4.38Å; W126-L158 HydrophobicContact CE3-CB 4.42Å; W126-L158 HydrophobicContact CE3-CD1 3.86Å; W126-L158 HydrophobicContact CE3-CD2 3.98Å; W126-L158 HydrophobicContact CE3-CG 4.3Å; W126-L158 HydrophobicContact CG-CD2 3.92Å; W126-L158 HydrophobicContact CH2-CB 3.77Å; W126-L158 HydrophobicContact CH2-CD2 4.28Å; W126-L158 HydrophobicContact CH2-CG 4.44Å; W126-L158 WeakPolarHBondContact CH2-O 3.47Å; W126-L158 HydrophobicContact CZ2-CB 4.08Å; W126-L158 HydrophobicContact CZ2-CD2 3.91Å; W126-L158 HydrophobicContact CZ3-CB 3.96Å; W126-L158 HydrophobicContact CZ3-CD1 4.08Å; W126-L158 HydrophobicContact CZ3-CD2 4.31Å; W126-L158 HydrophobicContact CZ3-CG 4.33Å; W126-D161 HydrophobicContact CZ2-CB 4Å; W126-D161 VanDerWaalsContact CZ2-OD2 3.29Å; W126-D161 WeakPolarHBondContact CZ2-OD2 3.32Å; W126-A162 HydrophobicContact CH2-CB 4.47Å
127R93.4Very high90.4Very high120 Ų12059 Ų5945%0.45331%0.305SS..Hα-helixtrans-64.9-51.6175.1179.7-16666.5-157.9-4.3111.8L123 A124 K125 I264L123-R127 PolarHBondContact O-N 2.92Å; A124-R127 WeakPolarHBondContact O-CB 3.39Å; A124-R127 PolarHBondContact O-N 3.35Å; A124-R127 VanDerWaalsContact O-N 3.15Å; K125-R127 VanDerWaalsContact C-N 3.32Å; K125-R127 PolarHBondContact O-N 3.28Å; R127-I264 HydrophobicContact CB-CD1 4.03Å; R127-I264 HydrophobicContact CB-CG1 4.3Å; R127-I264 HydrophobicContact CB-CG2 4.22Å; R127-I264 HydrophobicContact CG-CG1 4.39Å
128D94.4Very high90.3Very high110 Ų11058.4 Ų58.459%0.58830%0.303SS*.Hα-helixtrans-85.4-32.4-167.1-64-25.9000112.9A124 K125A124-D128 PolarHBondContact O-N 3.33Å; K125-D128 PolarHBondContact O-N 3.5Å
129D95.1Very high90.4Very high60 Ų6058.5 Ų58.532%0.32130%0.3SS..  trans-146.262.4-175.6-169.7-2.8000111.6K125 R131 N132 A133K125-D129 CarbonylContact O-C 3.52Å; K125-D129 WeakPolarHBondContact O-CA 3.16Å; K125-D129 PolarHBondContact O-N 3.05Å; D129-R131 PolarHBondContact O-N 2.78Å; D129-N132 PolarHBondContact O-N 3.19Å; D129-N132 PolarHBondContact OD1-N 3.29Å; D129-N132 WeakPolarHBondContact OD2-CB 3.34Å; D129-N132 PolarHBondContact OD2-ND2 2.62Å; D129-A133 WeakPolarHBondContact O-CB 3.49Å; D129-A133 PolarHBondContact O-N 2.97Å
130H94Very high90.7Very high52 Ų5257 Ų5724%0.24128%0.279CS..Hα-helixtrans-53.7-28.6-17976.8-82000113.7W126 L134W126-H130 WeakPolarHBondContact O-CA 3.21Å; W126-H130 WeakPolarHBondContact O-CB 3.16Å; W126-H130 PolarHBondContact O-N 3.26Å; H130-L134 WeakPolarHBondContact O-CB 3.28Å; H130-L134 PolarHBondContact O-N 3.22Å
131R92.7Very high91.4Very high177 Ų17756.8 Ų56.867%0.66828%0.282SS*.Hα-helixtrans-71.2-47.1-177.5-66.6-175.8-174.8152.20.5111D129 L134 N135D129-R131 PolarHBondContact O-N 2.78Å; R131-L134 PolarHBondContact O-N 2.98Å; R131-N135 PolarHBondContact O-N 3.05Å; R131-N135 PolarHBondContact O-ND2 2.9Å
132N92.9Very high91.5Very high77 Ų7757.7 Ų57.741%0.41229%0.286SS..Hα-helixtrans-71.3-38.7176.5-72.4-29.5000111.1D129 L134 N135 D136D129-N132 PolarHBondContact O-N 3.19Å; D129-N132 PolarHBondContact OD1-N 3.29Å; D129-N132 WeakPolarHBondContact OD2-CB 3.34Å; D129-N132 PolarHBondContact OD2-ND2 2.62Å; N132-L134 VanDerWaalsContact C-N 3.29Å; N132-L134 PolarHBondContact O-N 3.09Å; N132-N135 PolarHBondContact O-N 2.83Å; N132-D136 VanDerWaalsContact O-CG 3.28Å; N132-D136 PolarHBondContact O-N 3.12Å; N132-D136 VanDerWaalsContact O-N 3.09Å
133A93.4Very high91.5Very high8 Ų857.8 Ų57.87%0.06629%0.286CS..Hα-helixtrans-58.9-41.5172.600000112.1K125 W126 D129 D136 I137K125-A133 HydrophobicContact CD-CB 4.39Å; K125-A133 HydrophobicContact CG-CB 4.14Å; W126-A133 HydrophobicContact CB-CB 4.42Å; W126-A133 HydrophobicContact CE3-CB 3.74Å; W126-A133 HydrophobicContact CZ3-CB 4.45Å; D129-A133 WeakPolarHBondContact O-CB 3.49Å; D129-A133 PolarHBondContact O-N 2.97Å; A133-D136 PolarHBondContact O-N 3.07Å; A133-I137 PolarHBondContact O-N 3Å
134L93.2Very high91.4Very high11 Ų1158.8 Ų58.86%0.05829%0.293CS..Hα-helixtrans-63-43.4175.8177.457.6000111.7L94 W126 H130 R131 N132 D136 I137 I138 A162L94-L134 HydrophobicContact CD2-CD2 4.34Å; W126-L134 HydrophobicContact CH2-CB 4.48Å; W126-L134 HydrophobicContact CH2-CD1 4.47Å; W126-L134 HydrophobicContact CZ3-CB 4.06Å; H130-L134 WeakPolarHBondContact O-CB 3.28Å; H130-L134 PolarHBondContact O-N 3.22Å; R131-L134 PolarHBondContact O-N 2.98Å; N132-L134 VanDerWaalsContact C-N 3.29Å; N132-L134 PolarHBondContact O-N 3.09Å; L134-D136 VanDerWaalsContact C-N 3.31Å; L134-D136 PolarHBondContact O-N 3.45Å; L134-I137 HydrophobicContact CD1-CD1 3.96Å; L134-I137 HydrophobicContact CD1-CG1 4.11Å; L134-I137 WeakPolarHBondContact O-CG1 3Å; L134-I137 PolarHBondContact O-N 2.7Å; L134-I138 HydrophobicContact CD1-CD1 3.71Å; L134-I138 HydrophobicContact CD1-CG2 3.75Å; L134-I138 HydrophobicContact CD2-CD1 4.43Å; L134-I138 HydrophobicContact CG-CD1 3.57Å; L134-I138 WeakPolarHBondContact O-CD1 3.21Å; L134-I138 VanDerWaalsContact O-CG1 3.24Å; L134-I138 WeakPolarHBondContact O-CG1 3.31Å; L134-I138 PolarHBondContact O-N 2.85Å; L134-I138 VanDerWaalsContact O-N 3.11Å; L134-A162 HydrophobicContact CD1-CB 3.7Å; L134-A162 HydrophobicContact CD2-CB 3.68Å; L134-A162 HydrophobicContact CG-CB 4.34Å
135N90.7Very high91.4Very high60 Ų6063.9 Ų63.932%0.32132%0.315SS..Hα-helixtrans-61.6-37.5177.3-73-20.6000112.8R131 N132 I137 N139R131-N135 PolarHBondContact O-N 3.05Å; R131-N135 PolarHBondContact O-ND2 2.9Å; N132-N135 PolarHBondContact O-N 2.83Å; N135-I137 VanDerWaalsContact C-N 3.29Å; N135-I137 PolarHBondContact O-N 3Å; N135-N139 WeakPolarHBondContact O-CB 3.18Å; N135-N139 PolarHBondContact O-N 3.34Å; N135-N139 PolarHBondContact O-ND2 3.47Å
136D88.6Confident91.4Very high83 Ų8362 Ų6244%0.44431%0.31SS..Hα-helixtrans-63.4-35.7176.6-60.5-24.2000111.8K125 N132 A133 L134K125-D136 IonicContact NZ-OD1 3.06Å; K125-D136 IonicContact NZ-OD2 3.59Å; K125-D136 PolarHBondContact NZ-OD2 3.02Å; N132-D136 VanDerWaalsContact O-CG 3.28Å; N132-D136 PolarHBondContact O-N 3.12Å; N132-D136 VanDerWaalsContact O-N 3.09Å; A133-D136 PolarHBondContact O-N 3.07Å; L134-D136 VanDerWaalsContact C-N 3.31Å; L134-D136 PolarHBondContact O-N 3.45Å
137I88.3Confident91.3Very high7 Ų768 Ų684%0.03633%0.333CS..Hα-helixtrans-89.3-23.6-173.664.7170.2000114.6F117 W126 A133 L134 N135 Q140 L158F117-I137 HydrophobicContact CB-CG2 4.48Å; F117-I137 HydrophobicContact CD1-CB 3.86Å; F117-I137 HydrophobicContact CD1-CG2 4.37Å; F117-I137 HydrophobicContact CD2-CB 3.79Å; F117-I137 HydrophobicContact CD2-CG2 3.41Å; F117-I137 VanDerWaalsContact CD2-CG2 3.41Å; F117-I137 HydrophobicContact CE1-CB 3.78Å; F117-I137 HydrophobicContact CE1-CD1 4.45Å; F117-I137 HydrophobicContact CE1-CG1 4.47Å; F117-I137 HydrophobicContact CE1-CG2 4.49Å; F117-I137 HydrophobicContact CE2-CB 3.75Å; F117-I137 HydrophobicContact CE2-CD1 3.99Å; F117-I137 HydrophobicContact CE2-CG1 4.44Å; F117-I137 HydrophobicContact CE2-CG2 3.61Å; F117-I137 HydrophobicContact CG-CB 3.85Å; F117-I137 HydrophobicContact CG-CG2 3.83Å; F117-I137 HydrophobicContact CZ-CB 3.72Å; F117-I137 HydrophobicContact CZ-CD1 3.74Å; F117-I137 HydrophobicContact CZ-CG1 4.18Å; F117-I137 HydrophobicContact CZ-CG2 4.14Å; W126-I137 HydrophobicContact CH2-CD1 4.42Å; W126-I137 HydrophobicContact CZ3-CD1 3.82Å; A133-I137 PolarHBondContact O-N 3Å; L134-I137 HydrophobicContact CD1-CD1 3.96Å; L134-I137 HydrophobicContact CD1-CG1 4.11Å; L134-I137 WeakPolarHBondContact O-CG1 3Å; L134-I137 PolarHBondContact O-N 2.7Å; N135-I137 VanDerWaalsContact C-N 3.29Å; N135-I137 PolarHBondContact O-N 3Å; I137-Q140 PolarHBondContact O-NE2 3.43Å; I137-L158 HydrophobicContact CD1-CB 3.79Å; I137-L158 HydrophobicContact CD1-CD1 3.91Å
138I86.5Confident91.3Very high0 Ų065.3 Ų65.30%033%0.33CS..Hα-helixtrans-99-20-177.664.7-148000114.5Q96 F97 L134 Q140 L159Q96-I138 HydrophobicContact CB-CD1 4.43Å; Q96-I138 HydrophobicContact CG-CD1 3.14Å; Q96-I138 HydrophobicContact CG-CG1 3.76Å; F97-I138 HydrophobicContact CD2-CB 4.19Å; F97-I138 HydrophobicContact CD2-CG2 3.96Å; L134-I138 HydrophobicContact CD1-CD1 3.71Å; L134-I138 HydrophobicContact CD1-CG2 3.75Å; L134-I138 HydrophobicContact CD2-CD1 4.43Å; L134-I138 HydrophobicContact CG-CD1 3.57Å; L134-I138 WeakPolarHBondContact O-CD1 3.21Å; L134-I138 VanDerWaalsContact O-CG1 3.24Å; L134-I138 WeakPolarHBondContact O-CG1 3.31Å; L134-I138 PolarHBondContact O-N 2.85Å; L134-I138 VanDerWaalsContact O-N 3.11Å; I138-Q140 PolarHBondContact O-N 3.24Å; I138-L159 HydrophobicContact CG2-CD2 3.71Å
139N85.3Confident91.2Very high97 Ų9760.6 Ų60.652%0.51930%0.304SS..SBendtrans-85.649.9-179.5-73.5-32.5000112.3Q96 N135Q96-N139 PolarHBondContact O-OD1 2.86Å; N135-N139 WeakPolarHBondContact O-CB 3.18Å; N135-N139 PolarHBondContact O-N 3.34Å; N135-N139 PolarHBondContact O-ND2 3.47Å
140Q87.2Confident91.1Very high21 Ų2158.2 Ų58.210%0.09829%0.292CS..SBendtrans-148.7155.6-176.569.1-173.8-33.100113.4V98 F114 V118 I137 I138V98-Q140 WeakPolarHBondContact CG2-O 3.46Å; F114-Q140 HydrophobicContact CD1-CG 4.44Å; F114-Q140 HydrophobicContact CE1-CG 3.79Å; V118-Q140 VanDerWaalsContact CA-OE1 3.24Å; V118-Q140 PolarHBondContact O-OE1 3.19Å; V118-Q140 VanDerWaalsContact O-OE1 3.1Å; I137-Q140 PolarHBondContact O-NE2 3.43Å; I138-Q140 PolarHBondContact O-N 3.24Å
141I87.8Confident91Very high143 Ų14356 Ų5673%0.73328%0.282SS*.  trans-65.7133.9175.8-60.7174.1000108.6P143I141-P143 WeakPolarHBondContact O-CD 3.38Å
142P91.4Very high91Very high29 Ų2947.5 Ų47.519%0.18825%0.25CC..  trans-61.2126.1177.726.5-35000109.9V99 F114 V144 P146V99-P142 HydrophobicContact CG2-CB 4.3Å; V99-P142 HydrophobicContact CG2-CG 3.82Å; F114-P142 HydrophobicContact CD2-CB 4.37Å; F114-P142 HydrophobicContact CE1-CB 4.05Å; F114-P142 HydrophobicContact CE2-CB 3.87Å; F114-P142 HydrophobicContact CZ-CB 3.72Å; F114-P142 HydrophobicContact CZ-CG 4.45Å; P142-V144 WeakPolarHBondContact CB-O 3.14Å; P142-V144 PolarHBondContact O-N 3.49Å; P142-P146 HydrophobicContact CG-CG 4.18Å
143P90.5Very high91Very high41 Ų4143.9 Ų43.927%0.26623%0.23SC..SBendtrans-62.1-24.6178.6-25.734.4000114G113 Y116 V118 I141G113-P143 VanDerWaalsContact O-CD 3.31Å; G113-P143 WeakPolarHBondContact O-CD 3.38Å; Y116-P143 HydrophobicContact CD2-CB 4.01Å; Y116-P143 HydrophobicContact CD2-CG 3.79Å; Y116-P143 HydrophobicContact CE1-CB 4.32Å; Y116-P143 HydrophobicContact CE2-CB 3.32Å; Y116-P143 HydrophobicContact CE2-CG 3.58Å; Y116-P143 VanDerWaalsContact CZ-CB 3.49Å; Y116-P143 WeakPolarHBondContact O-CG 3.4Å; V118-P143 HydrophobicContact CG2-CG 4.1Å; I141-P143 WeakPolarHBondContact O-CD 3.38Å
144V91.9Very high91Very high21 Ų2143.5 Ų43.513%0.12723%0.227CC..SBendtrans-122.2143.3177.2176.90000108.9G113 P115 P142 T148 V150G113-V144 WeakPolarHBondContact CA-O 3.49Å; G113-V144 PolarHBondContact O-N 3.11Å; G113-V144 VanDerWaalsContact O-N 3.11Å; P115-V144 HydrophobicContact CG-CB 4.4Å; P115-V144 HydrophobicContact CG-CG2 3.67Å; P142-V144 WeakPolarHBondContact CB-O 3.14Å; P142-V144 PolarHBondContact O-N 3.49Å; V144-T148 HydrophobicContact CG1-CG2 3.96Å; V144-V150 HydrophobicContact CG1-CG2 3.96Å; V144-V150 HydrophobicContact CG2-CG2 4.42Å
145L93.1Very high91Very high133 Ų13343 Ų4370%0.69622%0.224SC*.  trans-54.5128.4175.7-174.270.9000110.2T148L145-T148 WeakPolarHBondContact O-CB 3.31Å; L145-T148 PolarHBondContact O-N 3Å; L145-T148 VanDerWaalsContact O-N 3.13Å; L145-T148 PolarHBondContact O-OG1 2.97Å
146P93.4Very high91.3Very high33 Ų3340.2 Ų40.221%0.21421%0.21CC..THydrogen-bonded Turntrans-54.6150174.6-2634.5000112.1V99 V102 P142 T148V99-P146 HydrophobicContact CG1-CG 3.73Å; V102-P146 HydrophobicContact CG2-CB 3.81Å; V102-P146 HydrophobicContact CG2-CG 4.19Å; P142-P146 HydrophobicContact CG-CG 4.18Å; P146-T148 PolarHBondContact O-N 2.7Å
147R92.5Very high91.7Very high145 Ų14536.4 Ų36.455%0.54719%0.189SC..THydrogen-bonded Turntrans68.30.4-172.8-55.4172-178.3-97.6-6115N101 D106 Q111N101-R147 PolarHBondContact O-NH2 3.06Å; N101-R147 VanDerWaalsContact O-NH2 3.11Å; D106-R147 IonicContact OD1-CZ 2.91Å; D106-R147 IonicContact OD1-NH1 4Å; D106-R147 IonicContact OD2-CZ 3.45Å; D106-R147 IonicContact OD2-NE 3.58Å; D106-R147 IonicContact OD2-NH2 2.69Å; D106-R147 PolarHBondContact OD2-NH2 3.04Å; Q111-R147 PolarHBondContact NE2-O 3.44Å; Q111-R147 PolarHBondContact O-N 2.95Å
148T93.3Very high92Very high63 Ų6336.2 Ų36.239%0.38719%0.188SC..  trans-82.6124.8160.1-56.90000109.6V144 L145 P146 V150V144-T148 HydrophobicContact CG1-CG2 3.96Å; L145-T148 WeakPolarHBondContact O-CB 3.31Å; L145-T148 PolarHBondContact O-N 3Å; L145-T148 VanDerWaalsContact O-N 3.13Å; L145-T148 PolarHBondContact O-OG1 2.97Å; P146-T148 PolarHBondContact O-N 2.7Å; T148-V150 HydrophobicContact CG2-CG2 4.29Å; T148-V150 PolarHBondContact O-N 3.42Å
149Q93.4Very high92.5Very high11 Ų1136.2 Ų36.25%0.05119%0.189CC..  trans-78.9116.2-178.4-175.8-173.820.800110.3H110 Q111 S320 L329H110-Q149 WeakPolarHBondContact O-CA 3.37Å; Q111-Q149 HydrophobicContact CG-CB 4.01Å; Q149-S320 PolarHBondContact OE1-OG 3.5Å; Q149-L329 PolarHBondContact NE2-O 3.09Å
150V92.5Very high93.1Very high10 Ų1031.6 Ų31.66%0.06116%0.164CC..  trans-146.7130.3175177.90000107.8H110 P115 V144 T148 H152 D322 P323 V324H110-V150 WeakPolarHBondContact CB-O 3.45Å; H110-V150 PolarHBondContact O-N 3.21Å; P115-V150 HydrophobicContact CB-CB 4.35Å; P115-V150 HydrophobicContact CB-CG1 3.74Å; P115-V150 HydrophobicContact CG-CB 4.37Å; P115-V150 HydrophobicContact CG-CG1 3.92Å; V144-V150 HydrophobicContact CG1-CG2 3.96Å; V144-V150 HydrophobicContact CG2-CG2 4.42Å; T148-V150 HydrophobicContact CG2-CG2 4.29Å; T148-V150 PolarHBondContact O-N 3.42Å; V150-H152 PolarHBondContact O-CE1 2.72Å; V150-H152 PolarHBondContact O-N 3.08Å; V150-H152 PolarHBondContact O-ND1 2.9Å; V150-D322 WeakPolarHBondContact CA-OD2 3.43Å; V150-P323 HydrophobicContact CG1-CG 3.91Å; V150-P323 HydrophobicContact CG2-CG 4.22Å; V150-V324 HydrophobicContact CG1-CG2 3.84Å
151F91.8Very high93.6Very high5 Ų531.1 Ų31.12%0.02216%0.162CC..  trans-59.4127-173.2-174.6-105.7000113.3H110 L153 D322 V324 L325 L329 M337H110-F151 AromaticContact CD2-CD2 3.98Å; H110-F151 AromaticContact CE1-CD2 3.53Å; H110-F151 AromaticContact CE1-CE2 3.65Å; H110-F151 AromaticContact NE2-CD2 3.46Å; H110-F151 WeakPolarHBondContact NE2-CD2 3.2Å; H110-F151 AromaticContact NE2-CE2 3.53Å; F151-L153 HydrophobicContact CD1-CB 4.38Å; F151-L153 HydrophobicContact CE1-CB 3.82Å; F151-L153 HydrophobicContact CE1-CD1 4.06Å; F151-L153 HydrophobicContact CE1-CG 4.42Å; F151-L153 HydrophobicContact CZ-CD1 4.19Å; F151-D322 WeakPolarHBondContact CB-OD2 3.39Å; F151-D322 PolarHBondContact N-OD2 2.92Å; F151-V324 HydrophobicContact CB-CB 4.18Å; F151-V324 HydrophobicContact CB-CG1 4.49Å; F151-V324 HydrophobicContact CD1-CG1 4.15Å; F151-L325 HydrophobicContact CB-CD1 4.04Å; F151-L325 HydrophobicContact CB-CG 3.99Å; F151-L325 HydrophobicContact CD1-CD1 4.41Å; F151-L325 HydrophobicContact CD1-CD2 3.87Å; F151-L325 HydrophobicContact CD1-CG 4.12Å; F151-L325 HydrophobicContact CD2-CD1 3.87Å; F151-L325 HydrophobicContact CD2-CG 4.44Å; F151-L325 HydrophobicContact CE1-CD2 4.1Å; F151-L325 HydrophobicContact CE2-CD1 4.42Å; F151-L325 HydrophobicContact CG-CD1 3.86Å; F151-L325 HydrophobicContact CG-CD2 4.17Å; F151-L325 HydrophobicContact CG-CG 3.94Å; F151-L329 HydrophobicContact CD2-CD2 4.42Å; F151-M337 HydrophobicContact CE2-CE 3.9Å; F151-M337 HydrophobicContact CZ-CE 4.47Å
152H93.5Very high94Very high0 Ų024.4 Ų24.40%013%0.128CC..  trans-106.8108.8177.4-58.667.1000109H110 S112 F114 P115 V150 M156H110-H152 VanDerWaalsContact CA-ND1 3.32Å; H110-H152 WeakPolarHBondContact CA-ND1 3.37Å; H110-H152 WeakPolarHBondContact CB-ND1 2.97Å; H110-H152 PolarHBondContact CE1-O 3.41Å; H110-H152 AromaticContact CG-ND1 3.94Å; H110-H152 WeakPolarHBondContact ND1-CB 3.48Å; H110-H152 AromaticContact ND1-CG 3.9Å; H110-H152 PolarHBondContact ND1-N 3.39Å; H110-H152 AromaticContact ND1-ND1 3.54Å; H110-H152 PolarHBondContact ND1-O 2.75Å; H110-H152 PolarHBondContact O-CE1 2.88Å; S112-H152 PolarHBondContact OG-CD2 3.06Å; S112-H152 VanDerWaalsContact OG-CD2 3.31Å; S112-H152 PolarHBondContact OG-NE2 3.1Å; S112-H152 VanDerWaalsContact OG-NE2 3.11Å; F114-H152 PolarHBondContact N-NE2 3.28Å; F114-H152 PolarHBondContact O-CD2 2.87Å; P115-H152 VanDerWaalsContact CA-CD2 3.43Å; P115-H152 WeakPolarHBondContact CA-CD2 3.37Å; P115-H152 VanDerWaalsContact N-NE2 3.15Å; V150-H152 PolarHBondContact O-CE1 2.72Å; V150-H152 PolarHBondContact O-N 3.08Å; V150-H152 PolarHBondContact O-ND1 2.9Å; H152-M156 HydrophobicContact CB-CB 3.65Å; H152-M156 VanDerWaalsContact O-CB 3.31Å; H152-M156 WeakPolarHBondContact O-CB 3.03Å
153L92.8Very high94.4Very high0 Ų023 Ų230%012%0.119CC..SBendtrans-90.1-84.1177.5-176.459.9000111.4T65 M68 F151 A157 L245 L253T65-L153 HydrophobicContact CG2-CD1 3.76Å; T65-L153 HydrophobicContact CG2-CD2 3.98Å; M68-L153 HydrophobicContact CG-CD1 4.01Å; M68-L153 HydrophobicContact SD-CD1 4.49Å; F151-L153 HydrophobicContact CD1-CB 4.38Å; F151-L153 HydrophobicContact CE1-CB 3.82Å; F151-L153 HydrophobicContact CE1-CD1 4.06Å; F151-L153 HydrophobicContact CE1-CG 4.42Å; F151-L153 HydrophobicContact CZ-CD1 4.19Å; L153-A157 PolarHBondContact O-N 3.4Å; L153-L245 HydrophobicContact CD2-CD2 3.69Å; L153-L253 HydrophobicContact CD2-CD2 3.7Å
154H93.5Very high94.8Very high0 Ų021.1 Ų21.10%011%0.106CC..Hα-helixtrans-69.3-39.8-175.3-67.9-49000111.7M156 A157 L158 L245 V247 F248 Y251 S268H154-M156 VanDerWaalsContact C-N 3.35Å; H154-M156 PolarHBondContact O-N 3.49Å; H154-A157 WeakPolarHBondContact O-CB 3.47Å; H154-A157 PolarHBondContact O-N 3.06Å; H154-A157 VanDerWaalsContact O-N 3.14Å; H154-L158 WeakPolarHBondContact O-CG 3.35Å; H154-L158 PolarHBondContact O-N 3Å; H154-L245 PolarHBondContact CD2-O 3.22Å; H154-L245 PolarHBondContact NE2-O 2.99Å; H154-V247 HydrophobicContact CB-CB 3.85Å; H154-V247 HydrophobicContact CB-CG1 4.3Å; H154-V247 HydrophobicContact CB-CG2 3.94Å; H154-F248 HydrophobicContact CB-CD2 4.49Å; H154-F248 HydrophobicContact CB-CE2 3.77Å; H154-F248 HydrophobicContact CB-CZ 4.19Å; H154-F248 AromaticContact CG-CE2 3.57Å; H154-F248 AromaticContact ND1-CE2 3.62Å; H154-Y251 AromaticContact CE1-CE1 3.85Å; H154-Y251 AromaticContact NE2-CE1 3.9Å; H154-S268 PolarHBondContact CE1-OG 2.95Å; H154-S268 PolarHBondContact ND1-OG 2.98Å
155S93.9Very high95Very high0 Ų022.5 Ų22.50%011%0.109CC..Hα-helixtrans-61-41.5178.855.90000113F114 P115 F117 L158 L159F114-S155 WeakPolarHBondContact O-CB 3.28Å; F114-S155 PolarHBondContact O-OG 2.89Å; P115-S155 PolarHBondContact O-OG 3.46Å; F117-S155 VanDerWaalsContact CZ-CA 3.46Å; S155-L158 PolarHBondContact O-N 3.07Å; S155-L159 WeakPolarHBondContact O-CB 3.47Å; S155-L159 WeakPolarHBondContact O-CG 3.4Å; S155-L159 PolarHBondContact O-N 3.37Å
156M95.6Very high95.2Very high3 Ų321.4 Ų21.42%0.01510%0.099CC..Hα-helixtrans-63.9-41.5174.3-178.3175.6171.400111.4M68 V71 L107 L108 H110 H152 H154 L158 S160M68-M156 HydrophobicContact CE-CB 3.78Å; M68-M156 HydrophobicContact CE-CE 3.89Å; M68-M156 HydrophobicContact CE-CG 3.51Å; M68-M156 HydrophobicContact CE-SD 3.31Å; M68-M156 WeakPolarHBondContact CE-SD 3.44Å; V71-M156 HydrophobicContact CB-CE 4.14Å; V71-M156 HydrophobicContact CG1-CE 3.63Å; L107-M156 HydrophobicContact CD1-CB 4.48Å; L107-M156 HydrophobicContact CD1-CG 4.17Å; L108-M156 HydrophobicContact CD2-CE 4.06Å; H110-M156 PolarHBondContact CE1-SD 3.31Å; H152-M156 HydrophobicContact CB-CB 3.65Å; H152-M156 VanDerWaalsContact O-CB 3.31Å; H152-M156 WeakPolarHBondContact O-CB 3.03Å; H154-M156 VanDerWaalsContact C-N 3.35Å; H154-M156 PolarHBondContact O-N 3.49Å; M156-L158 PolarHBondContact O-N 3.11Å; M156-S160 WeakPolarHBondContact O-CB 3.31Å; M156-S160 PolarHBondContact O-N 2.76Å; M156-S160 PolarHBondContact O-OG 3.21Å
157A96.8Very high95.4Very high2 Ų220.6 Ų20.62%0.0179%0.094CC..Hα-helixtrans-59.9-44.2175.500000112.3M68 L153 H154 D161 L266 V267M68-A157 HydrophobicContact SD-CB 4.3Å; L153-A157 PolarHBondContact O-N 3.4Å; H154-A157 WeakPolarHBondContact O-CB 3.47Å; H154-A157 PolarHBondContact O-N 3.06Å; H154-A157 VanDerWaalsContact O-N 3.14Å; A157-D161 WeakPolarHBondContact O-CB 3.5Å; A157-D161 PolarHBondContact O-N 2.61Å; A157-L266 HydrophobicContact CB-CD1 4.37Å; A157-V267 HydrophobicContact CB-CG2 3.47Å; A157-V267 VanDerWaalsContact CB-CG2 3.47Å
158L96.1Very high95.7Very high3 Ų313.9 Ų13.92%0.0167%0.069CC..Hα-helixtrans-68.1-47.2179.5-60.8-163.2000112.4F117 W126 I137 H154 S155 M156 S160 D161 A162 F248 L266F117-L158 HydrophobicContact CE2-CD1 3.93Å; W126-L158 HydrophobicContact CD2-CD1 4.27Å; W126-L158 HydrophobicContact CD2-CD2 3.57Å; W126-L158 HydrophobicContact CD2-CG 4.38Å; W126-L158 HydrophobicContact CE3-CB 4.42Å; W126-L158 HydrophobicContact CE3-CD1 3.86Å; W126-L158 HydrophobicContact CE3-CD2 3.98Å; W126-L158 HydrophobicContact CE3-CG 4.3Å; W126-L158 HydrophobicContact CG-CD2 3.92Å; W126-L158 HydrophobicContact CH2-CB 3.77Å; W126-L158 HydrophobicContact CH2-CD2 4.28Å; W126-L158 HydrophobicContact CH2-CG 4.44Å; W126-L158 WeakPolarHBondContact CH2-O 3.47Å; W126-L158 HydrophobicContact CZ2-CB 4.08Å; W126-L158 HydrophobicContact CZ2-CD2 3.91Å; W126-L158 HydrophobicContact CZ3-CB 3.96Å; W126-L158 HydrophobicContact CZ3-CD1 4.08Å; W126-L158 HydrophobicContact CZ3-CD2 4.31Å; W126-L158 HydrophobicContact CZ3-CG 4.33Å; I137-L158 HydrophobicContact CD1-CB 3.79Å; I137-L158 HydrophobicContact CD1-CD1 3.91Å; H154-L158 WeakPolarHBondContact O-CG 3.35Å; H154-L158 PolarHBondContact O-N 3Å; S155-L158 PolarHBondContact O-N 3.07Å; M156-L158 PolarHBondContact O-N 3.11Å; L158-S160 VanDerWaalsContact C-N 3.33Å; L158-S160 PolarHBondContact O-N 3.3Å; L158-D161 PolarHBondContact O-N 2.91Å; L158-A162 WeakPolarHBondContact O-CB 3.31Å; L158-A162 PolarHBondContact O-N 2.95Å; L158-F248 HydrophobicContact CD1-CE1 3.88Å; L158-F248 HydrophobicContact CD1-CZ 3.99Å; L158-F248 HydrophobicContact CD2-CE1 4.41Å; L158-F248 HydrophobicContact CD2-CZ 3.92Å; L158-F248 HydrophobicContact CG-CZ 4.19Å; L158-L266 HydrophobicContact CD2-CD1 4.3Å
159L95.7Very high95.9Very high1 Ų117.9 Ų17.91%0.0058%0.083CC..Hα-helixtrans-64-40.3178.1-69.4174.1000111.4F97 L107 I138 S155 A162 I163F97-L159 HydrophobicContact CD2-CD2 4.49Å; F97-L159 HydrophobicContact CE2-CD1 4.49Å; F97-L159 HydrophobicContact CE2-CD2 4.35Å; L107-L159 HydrophobicContact CD1-CB 4.15Å; L107-L159 HydrophobicContact CD1-CD1 4Å; L107-L159 HydrophobicContact CD2-CB 4.18Å; I138-L159 HydrophobicContact CG2-CD2 3.71Å; S155-L159 WeakPolarHBondContact O-CB 3.47Å; S155-L159 WeakPolarHBondContact O-CG 3.4Å; S155-L159 PolarHBondContact O-N 3.37Å; L159-A162 PolarHBondContact O-N 3.14Å; L159-I163 WeakPolarHBondContact O-CG1 3.32Å; L159-I163 PolarHBondContact O-N 3.31Å
160S98Very high96.1Very high0 Ų023.6 Ų23.60%011%0.107CC..Hα-helixtrans-65.5-43177.1-58.80000111.6M156 L158 A162 I163 V164M156-S160 WeakPolarHBondContact O-CB 3.31Å; M156-S160 PolarHBondContact O-N 2.76Å; M156-S160 PolarHBondContact O-OG 3.21Å; L158-S160 VanDerWaalsContact C-N 3.33Å; L158-S160 PolarHBondContact O-N 3.3Å; S160-A162 VanDerWaalsContact C-N 3.34Å; S160-A162 PolarHBondContact O-N 3.47Å; S160-I163 PolarHBondContact O-N 3.23Å; S160-V164 WeakPolarHBondContact O-CG2 3.3Å; S160-V164 PolarHBondContact O-N 3.09Å
161D98.1Very high96.3Very high10 Ų1028.7 Ų28.75%0.05313%0.129CC..Hα-helixtrans-61.2-41.8174.5-177.272.8000112.1W126 A157 L158 V164 R165 T173 L174W126-D161 HydrophobicContact CZ2-CB 4Å; W126-D161 VanDerWaalsContact CZ2-OD2 3.29Å; W126-D161 WeakPolarHBondContact CZ2-OD2 3.32Å; A157-D161 WeakPolarHBondContact O-CB 3.5Å; A157-D161 PolarHBondContact O-N 2.61Å; L158-D161 PolarHBondContact O-N 2.91Å; D161-V164 PolarHBondContact O-N 3.41Å; D161-R165 VanDerWaalsContact O-CG 3.32Å; D161-R165 WeakPolarHBondContact O-CG 3.3Å; D161-R165 PolarHBondContact O-N 3.11Å; D161-R165 IonicContact OD1-NE 3.58Å; D161-R165 IonicContact OD1-NH2 3.98Å; D161-R165 IonicContact OD2-CZ 3.66Å; D161-R165 VanDerWaalsContact OD2-CZ 3.3Å; D161-R165 IonicContact OD2-NE 3.18Å; D161-R165 PolarHBondContact OD2-NE 3.08Å; D161-R165 IonicContact OD2-NH2 2.65Å; D161-R165 PolarHBondContact OD2-NH2 3.05Å; D161-T173 WeakPolarHBondContact OD1-CA 3.42Å; D161-T173 WeakPolarHBondContact OD1-CB 3.29Å; D161-L174 HydrophobicContact CB-CB 4.01Å; D161-L174 PolarHBondContact OD1-N 3.06Å
162A97.2Very high96.6Very high3 Ų329.6 Ų29.63%0.02513%0.132CC..Hα-helixtrans-62.1-43.2175.300000112.5L94 W126 L134 L158 L159 S160 K166L94-A162 HydrophobicContact CD1-CB 3.9Å; L94-A162 HydrophobicContact CD2-CB 4.06Å; W126-A162 HydrophobicContact CH2-CB 4.47Å; L134-A162 HydrophobicContact CD1-CB 3.7Å; L134-A162 HydrophobicContact CD2-CB 3.68Å; L134-A162 HydrophobicContact CG-CB 4.34Å; L158-A162 WeakPolarHBondContact O-CB 3.31Å; L158-A162 PolarHBondContact O-N 2.95Å; L159-A162 PolarHBondContact O-N 3.14Å; S160-A162 VanDerWaalsContact C-N 3.34Å; S160-A162 PolarHBondContact O-N 3.47Å; A162-K166 WeakPolarHBondContact O-CG 3.3Å; A162-K166 PolarHBondContact O-N 3.11Å
163I98.2Very high96.8Very high0 Ų031 Ų310%014%0.141CC..Hα-helixtrans-63.2-48.8176.2-68.7166.4000110.4F75 L84 I90 Y93 L94 V104 L107 L159 S160 R165 K166 V167F75-I163 HydrophobicContact CE1-CD1 4.44Å; F75-I163 HydrophobicContact CE1-CG2 4.28Å; F75-I163 HydrophobicContact CZ-CB 4.2Å; F75-I163 HydrophobicContact CZ-CD1 4.41Å; F75-I163 HydrophobicContact CZ-CG2 4.11Å; L84-I163 HydrophobicContact CD1-CG2 3.59Å; I90-I163 HydrophobicContact CG2-CD1 4.48Å; Y93-I163 HydrophobicContact CD2-CG2 4.49Å; Y93-I163 HydrophobicContact CG-CG2 4.34Å; L94-I163 HydrophobicContact CD1-CG1 3.94Å; L94-I163 HydrophobicContact CG-CG1 4.26Å; V104-I163 HydrophobicContact CG2-CD1 4.39Å; L107-I163 HydrophobicContact CD2-CD1 3.59Å; L159-I163 WeakPolarHBondContact O-CG1 3.32Å; L159-I163 PolarHBondContact O-N 3.31Å; S160-I163 PolarHBondContact O-N 3.23Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 3.1Å; I163-K166 WeakPolarHBondContact O-CA 3.24Å; I163-K166 WeakPolarHBondContact O-CB 3.11Å; I163-K166 PolarHBondContact O-N 3.47Å; I163-V167 HydrophobicContact CG2-CG1 4.43Å; I163-V167 WeakPolarHBondContact O-CG2 3.37Å; I163-V167 PolarHBondContact O-N 3.36Å
164V98.6Very high97.1Very high0 Ų031 Ų310%014%0.141CC..Hα-helixtrans-58.7-43.3179.6175.30000111.7F75 L78 S160 D161 K166 V167 D168 L174 Y177F75-V164 HydrophobicContact CD2-CG2 4.45Å; F75-V164 HydrophobicContact CE2-CG2 3.78Å; F75-V164 HydrophobicContact CZ-CG2 4.46Å; L78-V164 HydrophobicContact CD1-CG1 4.48Å; L78-V164 HydrophobicContact CD1-CG2 3.69Å; S160-V164 WeakPolarHBondContact O-CG2 3.3Å; S160-V164 PolarHBondContact O-N 3.09Å; D161-V164 PolarHBondContact O-N 3.41Å; V164-K166 PolarHBondContact O-N 3.39Å; V164-K166 VanDerWaalsContact O-N 3.12Å; V164-V167 PolarHBondContact O-N 2.64Å; V164-D168 HydrophobicContact CG1-CB 4.26Å; V164-D168 WeakPolarHBondContact O-CB 3.39Å; V164-D168 PolarHBondContact O-N 2.79Å; V164-L174 HydrophobicContact CB-CB 4.09Å; V164-L174 HydrophobicContact CG1-CB 4.45Å; V164-L174 HydrophobicContact CG2-CB 4.06Å; V164-L174 HydrophobicContact CG2-CD1 3.67Å; V164-L174 HydrophobicContact CG2-CG 4.38Å; V164-Y177 HydrophobicContact CG1-CD1 4.38Å; V164-Y177 HydrophobicContact CG1-CD2 4.23Å; V164-Y177 HydrophobicContact CG1-CG 3.88Å
165R97.7Very high97.3Very high50 Ų5031.2 Ų31.219%0.18914%0.142CC..Hα-helixtrans-58.8-25.7175-73.1172.4-167.9-95.65.9113.4D161 I163 K171 R172D161-R165 VanDerWaalsContact O-CG 3.32Å; D161-R165 WeakPolarHBondContact O-CG 3.3Å; D161-R165 PolarHBondContact O-N 3.11Å; D161-R165 IonicContact OD1-NE 3.58Å; D161-R165 IonicContact OD1-NH2 3.98Å; D161-R165 IonicContact OD2-CZ 3.66Å; D161-R165 VanDerWaalsContact OD2-CZ 3.3Å; D161-R165 IonicContact OD2-NE 3.18Å; D161-R165 PolarHBondContact OD2-NE 3.08Å; D161-R165 IonicContact OD2-NH2 2.65Å; D161-R165 PolarHBondContact OD2-NH2 3.05Å; I163-R165 VanDerWaalsContact C-N 3.32Å; I163-R165 PolarHBondContact O-N 3.1Å; R165-K171 WeakPolarHBondContact O-CD 3.36Å; R165-R172 VanDerWaalsContact CG-O 3.23Å; R165-R172 WeakPolarHBondContact CG-O 3.5Å
166K97.2Very high97.5Very high110 Ų11036.8 Ų36.848%0.47816%0.163SC..Hα-helixtrans-84.9-43.2178.6-67.2-69.5-176.4178.10112.2Y93 L94 A162 I163 V164 K171Y93-K166 WeakPolarHBondContact O-CG 3.26Å; L94-K166 HydrophobicContact CD2-CG 3.82Å; A162-K166 WeakPolarHBondContact O-CG 3.3Å; A162-K166 PolarHBondContact O-N 3.11Å; I163-K166 WeakPolarHBondContact O-CA 3.24Å; I163-K166 WeakPolarHBondContact O-CB 3.11Å; I163-K166 PolarHBondContact O-N 3.47Å; V164-K166 PolarHBondContact O-N 3.39Å; V164-K166 VanDerWaalsContact O-N 3.12Å; K166-K171 PolarHBondContact O-NZ 3.01Å
167V98.1Very high97.7Very high17 Ų1736.8 Ų36.810%0.10316%0.163CC..Hα-helixtrans-84.7-32.5-175.7-59.10000113.6L78 L83 Y93 I163 V164 H169L78-V167 HydrophobicContact CD1-CG2 3.81Å; L78-V167 HydrophobicContact CD2-CG2 3.82Å; L78-V167 HydrophobicContact CG-CG2 4.37Å; L83-V167 WeakPolarHBondContact O-CB 3.16Å; Y93-V167 HydrophobicContact CD1-CG1 3.31Å; Y93-V167 HydrophobicContact CE1-CG1 3.52Å; Y93-V167 HydrophobicContact CG-CG1 4.26Å; I163-V167 HydrophobicContact CG2-CG1 4.43Å; I163-V167 WeakPolarHBondContact O-CG2 3.37Å; I163-V167 PolarHBondContact O-N 3.36Å; V164-V167 PolarHBondContact O-N 2.64Å; V167-H169 PolarHBondContact O-N 3.25Å
168D98.2Very high97.8Very high4 Ų436.7 Ų36.72%0.02116%0.162CC..SBendtrans-65131.5178177.739.6000110.6V164 K170 K171 R172 Y177V164-D168 HydrophobicContact CG1-CB 4.26Å; V164-D168 WeakPolarHBondContact O-CB 3.39Å; V164-D168 PolarHBondContact O-N 2.79Å; D168-K170 VanDerWaalsContact C-N 3.28Å; D168-K170 PolarHBondContact O-N 3.29Å; D168-K170 PolarHBondContact OD1-N 3.39Å; D168-K171 WeakPolarHBondContact O-CD 3.28Å; D168-K171 WeakPolarHBondContact O-CE 3.22Å; D168-K171 PolarHBondContact O-N 2.94Å; D168-K171 VanDerWaalsContact O-N 3.08Å; D168-K171 PolarHBondContact O-NZ 2.73Å; D168-K171 PolarHBondContact OD2-N 3.1Å; D168-R172 IonicContact OD1-CZ 3.67Å; D168-R172 IonicContact OD1-NE 3.45Å; D168-R172 IonicContact OD1-NH2 3.57Å; D168-R172 PolarHBondContact OD1-NH2 2.73Å; D168-R172 VanDerWaalsContact OD2-CB 3.24Å; D168-R172 WeakPolarHBondContact OD2-CB 3.12Å; D168-R172 WeakPolarHBondContact OD2-CG 3.48Å; D168-R172 IonicContact OD2-CZ 3.66Å; D168-R172 PolarHBondContact OD2-N 3.45Å; D168-R172 IonicContact OD2-NE 2.72Å; D168-R172 PolarHBondContact OD2-NE 3.45Å; D168-R172 IonicContact OD2-NH2 3.02Å; D168-Y177 HydrophobicContact CB-CD2 4.24Å
169H96.7Very high97.8Very high147 Ų14737.2 Ų37.268%0.68117%0.165SC*.THydrogen-bonded Turntrans-62.5-37178.8-68.4-64.2000112L83 V167 K171L83-H169 VanDerWaalsContact CD2-NE2 3.31Å; L83-H169 WeakPolarHBondContact CD2-NE2 3.39Å; V167-H169 PolarHBondContact O-N 3.25Å; H169-K171 PolarHBondContact O-N 3.24Å
170K98Very high97.9Very high131 Ų13139.2 Ų39.257%0.5717%0.174SC*.THydrogen-bonded Turntrans-81.5-1.4177.9-57-175.5-165.11630113D168 R172 E180D168-K170 VanDerWaalsContact C-N 3.28Å; D168-K170 PolarHBondContact O-N 3.29Å; D168-K170 PolarHBondContact OD1-N 3.39Å; K170-R172 HydrophobicContact CB-CG 3.82Å; K170-R172 PolarHBondContact O-N 2.97Å; K170-R172 VanDerWaalsContact O-N 3.15Å; K170-E180 IonicContact NZ-OE2 3.95Å; K170-E180 PolarHBondContact NZ-OE2 3.14Å
171K97Very high97.9Very high117 Ų11741.6 Ų41.651%0.50919%0.185SC..  trans53.232.8-179.4-51.4-64.6168.3-141.30113.1R165 K166 D168 H169R165-K171 WeakPolarHBondContact O-CD 3.36Å; K166-K171 PolarHBondContact O-NZ 3.01Å; D168-K171 WeakPolarHBondContact O-CD 3.28Å; D168-K171 WeakPolarHBondContact O-CE 3.22Å; D168-K171 PolarHBondContact O-N 2.94Å; D168-K171 VanDerWaalsContact O-N 3.08Å; D168-K171 PolarHBondContact O-NZ 2.73Å; D168-K171 PolarHBondContact OD2-N 3.1Å; H169-K171 PolarHBondContact O-N 3.24Å
172R97.8Very high97.8Very high24 Ų2441.2 Ų41.29%0.09118%0.183CC..  trans-69.7162.6179.1-67.3167.7-67.4-178.21.5110.8R165 D168 K170 R176 E180 E181R165-R172 VanDerWaalsContact CG-O 3.23Å; R165-R172 WeakPolarHBondContact CG-O 3.5Å; D168-R172 IonicContact OD1-CZ 3.67Å; D168-R172 IonicContact OD1-NE 3.45Å; D168-R172 IonicContact OD1-NH2 3.57Å; D168-R172 PolarHBondContact OD1-NH2 2.73Å; D168-R172 VanDerWaalsContact OD2-CB 3.24Å; D168-R172 WeakPolarHBondContact OD2-CB 3.12Å; D168-R172 WeakPolarHBondContact OD2-CG 3.48Å; D168-R172 IonicContact OD2-CZ 3.66Å; D168-R172 PolarHBondContact OD2-N 3.45Å; D168-R172 IonicContact OD2-NE 2.72Å; D168-R172 PolarHBondContact OD2-NE 3.45Å; D168-R172 IonicContact OD2-NH2 3.02Å; K170-R172 HydrophobicContact CB-CG 3.82Å; K170-R172 PolarHBondContact O-N 2.97Å; K170-R172 VanDerWaalsContact O-N 3.15Å; R172-R176 HydrophobicContact CB-CB 4.16Å; R172-R176 HydrophobicContact CB-CG 4.18Å; R172-R176 HydrophobicContact CG-CG 4.11Å; R172-E180 IonicContact CZ-OE2 3Å; R172-E180 IonicContact NE-OE2 2.88Å; R172-E180 IonicContact NH1-OE2 3.73Å; R172-E180 PolarHBondContact NH1-OE2 3Å; R172-E181 IonicContact CZ-OE1 3.62Å; R172-E181 VanDerWaalsContact CZ-OE1 3.23Å; R172-E181 IonicContact NH1-OE1 2.82Å; R172-E181 PolarHBondContact NH1-OE1 3.27Å; R172-E181 IonicContact NH2-OE1 2.81Å; R172-E181 PolarHBondContact NH2-OE1 2.86Å
173T97.8Very high97.7Very high30 Ų3041 Ų4118%0.18418%0.182CC..  trans-65.8156.3165.5770000109.7D161 A175 R176 Y177D161-T173 WeakPolarHBondContact OD1-CA 3.42Å; D161-T173 WeakPolarHBondContact OD1-CB 3.29Å; T173-A175 VanDerWaalsContact C-N 3.27Å; T173-A175 PolarHBondContact O-N 3.06Å; T173-R176 PolarHBondContact O-N 3.11Å; T173-R176 VanDerWaalsContact O-N 3.16Å; T173-R176 WeakPolarHBondContact OG1-CB 3.35Å; T173-R176 PolarHBondContact OG1-N 3.13Å; T173-Y177 WeakPolarHBondContact O-CB 3.47Å; T173-Y177 PolarHBondContact O-N 2.99Å
174L98.6Very high97.6Very high0 Ų047 Ų470%020%0.204CC..Hα-helixtrans-56.4-43173.8164.864.3000111.5V70 V71 S74 D161 V164 R176 Y177 F178 V267V70-L174 HydrophobicContact CG1-CD1 4.19Å; V70-L174 HydrophobicContact CG1-CG 4.12Å; V71-L174 HydrophobicContact CG2-CD2 4.09Å; S74-L174 VanDerWaalsContact OG-CD1 3.3Å; S74-L174 WeakPolarHBondContact OG-CD1 3.41Å; D161-L174 HydrophobicContact CB-CB 4.01Å; D161-L174 PolarHBondContact OD1-N 3.06Å; V164-L174 HydrophobicContact CB-CB 4.09Å; V164-L174 HydrophobicContact CG1-CB 4.45Å; V164-L174 HydrophobicContact CG2-CB 4.06Å; V164-L174 HydrophobicContact CG2-CD1 3.67Å; V164-L174 HydrophobicContact CG2-CG 4.38Å; L174-R176 PolarHBondContact O-N 3.41Å; L174-Y177 PolarHBondContact O-N 3.1Å; L174-F178 WeakPolarHBondContact O-CB 3.46Å; L174-F178 PolarHBondContact O-N 3.27Å; L174-V267 HydrophobicContact CD2-CB 4.38Å; L174-V267 HydrophobicContact CD2-CG1 4.04Å; L174-V267 HydrophobicContact CD2-CG2 3.69Å; L174-V267 HydrophobicContact CG-CG1 4.05Å
175A98.4Very high97.4Very high4 Ų449.6 Ų49.63%0.03322%0.221CC..Hα-helixtrans-58.8-47.8175.800000111.9T173 F178 M179 I192 P265 V267T173-A175 VanDerWaalsContact C-N 3.27Å; T173-A175 PolarHBondContact O-N 3.06Å; A175-F178 PolarHBondContact O-N 3.05Å; A175-M179 VanDerWaalsContact O-CG 3.29Å; A175-M179 WeakPolarHBondContact O-CG 3.45Å; A175-M179 PolarHBondContact O-N 3.37Å; A175-I192 HydrophobicContact CB-CB 3.9Å; A175-I192 HydrophobicContact CB-CD1 4.06Å; A175-I192 HydrophobicContact CB-CG2 3.55Å; A175-P265 HydrophobicContact CB-CB 3.61Å; A175-P265 HydrophobicContact CB-CG 4.42Å; A175-V267 HydrophobicContact CB-CG1 4.11Å
176R98.2Very high97.2Very high117 Ų11748 Ų4844%0.44222%0.216SC..Hα-helixtrans-68.3-38.2-179.2-177.164.8-177.9-159.58.5111.9R172 T173 L174 M179 E180 W184R172-R176 HydrophobicContact CB-CB 4.16Å; R172-R176 HydrophobicContact CB-CG 4.18Å; R172-R176 HydrophobicContact CG-CG 4.11Å; T173-R176 PolarHBondContact O-N 3.11Å; T173-R176 VanDerWaalsContact O-N 3.16Å; T173-R176 WeakPolarHBondContact OG1-CB 3.35Å; T173-R176 PolarHBondContact OG1-N 3.13Å; L174-R176 PolarHBondContact O-N 3.41Å; R176-M179 PolarHBondContact O-N 3.16Å; R176-E180 IonicContact CZ-OE1 3.97Å; R176-E180 IonicContact NE-OE1 3.88Å; R176-E180 PolarHBondContact NE-OE1 2.67Å; R176-E180 IonicContact NH2-OE1 3.96Å; R176-E180 PolarHBondContact NH2-OE1 3.09Å; R176-E180 WeakPolarHBondContact O-CB 3.38Å; R176-E180 PolarHBondContact O-N 2.89Å; R176-W184 VanDerWaalsContact CZ-CH2 3.49Å
177Y98.7Very high97.1Very high3 Ų345.2 Ų45.21%0.01222%0.219CC..Hα-helixtrans-58.4-51.9173176.9-88.9000110.9K77 L78 V164 D168 T173 L174 M179 E180 E181K77-Y177 HydrophobicContact CB-CE1 4.4Å; K77-Y177 VanDerWaalsContact CG-OH 3.29Å; K77-Y177 WeakPolarHBondContact CG-OH 3.37Å; L78-Y177 HydrophobicContact CD1-CE1 4.32Å; L78-Y177 HydrophobicContact CD2-CE1 4.24Å; L78-Y177 HydrophobicContact CD2-CE2 3.65Å; L78-Y177 VanDerWaalsContact CD2-CZ 3.47Å; L78-Y177 VanDerWaalsContact CD2-OH 3.28Å; L78-Y177 WeakPolarHBondContact CD2-OH 3.34Å; L78-Y177 HydrophobicContact CG-CE1 3.93Å; L78-Y177 HydrophobicContact CG-CE2 4.26Å; L78-Y177 WeakPolarHBondContact CG-OH 3.41Å; V164-Y177 HydrophobicContact CG1-CD1 4.38Å; V164-Y177 HydrophobicContact CG1-CD2 4.23Å; V164-Y177 HydrophobicContact CG1-CG 3.88Å; D168-Y177 HydrophobicContact CB-CD2 4.24Å; T173-Y177 WeakPolarHBondContact O-CB 3.47Å; T173-Y177 PolarHBondContact O-N 2.99Å; L174-Y177 PolarHBondContact O-N 3.1Å; Y177-M179 VanDerWaalsContact C-N 3.32Å; Y177-M179 PolarHBondContact O-N 3.45Å; Y177-E180 PolarHBondContact O-N 2.76Å; Y177-E181 HydrophobicContact CD2-CG 3.85Å; Y177-E181 HydrophobicContact CE1-CB 4.34Å; Y177-E181 HydrophobicContact CE1-CG 4.32Å; Y177-E181 HydrophobicContact CE2-CB 4.47Å; Y177-E181 HydrophobicContact CE2-CG 3.64Å; Y177-E181 HydrophobicContact CG-CG 4.27Å; Y177-E181 WeakPolarHBondContact O-CB 3.5Å; Y177-E181 WeakPolarHBondContact O-CG 3.39Å; Y177-E181 PolarHBondContact O-N 3.33Å
178F98.6Very high97Very high0 Ų044.8 Ų44.80%022%0.216CC..Hα-helixtrans-57.7-45177.5177.7-93.6000112.2V70 F73 L174 A175 I182 A183 M190 I192 L281V70-F178 HydrophobicContact CB-CD2 4.29Å; V70-F178 HydrophobicContact CB-CG 4.4Å; V70-F178 HydrophobicContact CG1-CB 3.74Å; V70-F178 HydrophobicContact CG1-CD1 4.35Å; V70-F178 HydrophobicContact CG1-CD2 3.92Å; V70-F178 HydrophobicContact CG1-CG 3.74Å; V70-F178 HydrophobicContact CG2-CD1 4.14Å; V70-F178 HydrophobicContact CG2-CD2 4.36Å; V70-F178 HydrophobicContact CG2-CE1 4.16Å; V70-F178 HydrophobicContact CG2-CE2 4.39Å; V70-F178 HydrophobicContact CG2-CG 4.24Å; V70-F178 HydrophobicContact CG2-CZ 4.29Å; F73-F178 HydrophobicContact CB-CD2 4.37Å; F73-F178 HydrophobicContact CB-CE2 3.88Å; L174-F178 WeakPolarHBondContact O-CB 3.46Å; L174-F178 PolarHBondContact O-N 3.27Å; A175-F178 PolarHBondContact O-N 3.05Å; F178-I182 HydrophobicContact CD2-CB 4.23Å; F178-I182 HydrophobicContact CD2-CD1 3.92Å; F178-I182 HydrophobicContact CE2-CB 4.25Å; F178-I182 HydrophobicContact CE2-CD1 4.23Å; F178-I182 HydrophobicContact CE2-CG2 4.06Å; F178-I182 HydrophobicContact CZ-CG2 4.46Å; F178-I182 WeakPolarHBondContact O-CA 3.29Å; F178-I182 WeakPolarHBondContact O-CB 3.47Å; F178-I182 PolarHBondContact O-N 2.81Å; F178-A183 HydrophobicContact CD1-CB 4.24Å; F178-A183 HydrophobicContact CE1-CB 3.89Å; F178-A183 PolarHBondContact O-N 3.41Å; F178-M190 HydrophobicContact CE1-SD 3.96Å; F178-M190 HydrophobicContact CZ-SD 4.15Å; F178-I192 HydrophobicContact CB-CD1 4.28Å; F178-I192 HydrophobicContact CD1-CD1 3.61Å; F178-I192 HydrophobicContact CE1-CD1 4.33Å; F178-I192 HydrophobicContact CG-CD1 4.22Å; F178-L281 HydrophobicContact CE2-CD1 4.39Å; F178-L281 HydrophobicContact CE2-CD2 4.39Å; F178-L281 HydrophobicContact CZ-CD1 4.2Å; F178-L281 HydrophobicContact CZ-CD2 3.95Å
179M98.1Very high96.9Very high13 Ų1347.2 Ų47.26%0.06423%0.229CC..Iπ-helixtrans-61.9-47.2178.7-68.2-48.9-57.600111.9A175 R176 Y177 A183 W184 M190 I192A175-M179 VanDerWaalsContact O-CG 3.29Å; A175-M179 WeakPolarHBondContact O-CG 3.45Å; A175-M179 PolarHBondContact O-N 3.37Å; R176-M179 PolarHBondContact O-N 3.16Å; Y177-M179 VanDerWaalsContact C-N 3.32Å; Y177-M179 PolarHBondContact O-N 3.45Å; M179-A183 HydrophobicContact CE-CB 3.72Å; M179-A183 HydrophobicContact SD-CB 3.93Å; M179-W184 HydrophobicContact CB-CD2 4.26Å; M179-W184 HydrophobicContact CB-CH2 4.4Å; M179-W184 HydrophobicContact CB-CZ2 3.97Å; M179-W184 VanDerWaalsContact O-CB 3.31Å; M179-W184 WeakPolarHBondContact O-CB 3.43Å; M179-W184 PolarHBondContact O-N 3Å; M179-M190 HydrophobicContact CE-CB 4.23Å; M179-M190 WeakPolarHBondContact CE-O 3.31Å; M179-M190 HydrophobicContact SD-CB 4.33Å; M179-I192 HydrophobicContact CG-CD1 4.39Å; M179-I192 HydrophobicContact SD-CD1 4.13Å; M179-I192 HydrophobicContact SD-CG1 4.13Å
180E97.5Very high97Very high43 Ų4340.4 Ų40.420%0.20120%0.198CC..Iπ-helixtrans-73.8-39.1-177.1-81.5-173.1-158.700114.3K170 R172 R176 Y177 W184 P185K170-E180 IonicContact NZ-OE2 3.95Å; K170-E180 PolarHBondContact NZ-OE2 3.14Å; R172-E180 IonicContact CZ-OE2 3Å; R172-E180 IonicContact NE-OE2 2.88Å; R172-E180 IonicContact NH1-OE2 3.73Å; R172-E180 PolarHBondContact NH1-OE2 3Å; R176-E180 IonicContact CZ-OE1 3.97Å; R176-E180 IonicContact NE-OE1 3.88Å; R176-E180 PolarHBondContact NE-OE1 2.67Å; R176-E180 IonicContact NH2-OE1 3.96Å; R176-E180 PolarHBondContact NH2-OE1 3.09Å; R176-E180 WeakPolarHBondContact O-CB 3.38Å; R176-E180 PolarHBondContact O-N 2.89Å; Y177-E180 PolarHBondContact O-N 2.76Å; E180-W184 HydrophobicContact CB-CE3 4.31Å; E180-W184 HydrophobicContact CB-CZ3 4.4Å; E180-W184 HydrophobicContact CG-CE3 3.67Å; E180-W184 HydrophobicContact CG-CH2 4.32Å; E180-W184 HydrophobicContact CG-CZ3 3.34Å; E180-P185 VanDerWaalsContact O-CD 3.24Å; E180-P185 WeakPolarHBondContact O-CD 2.93Å; E180-P185 WeakPolarHBondContact O-CG 3.37Å
181E96.4Very high97Very high51 Ų5136 Ų3624%0.23818%0.18CC..Iπ-helixtrans-95.7-18.4-171-58-59.2152.800113.3R172 Y177R172-E181 IonicContact CZ-OE1 3.62Å; R172-E181 VanDerWaalsContact CZ-OE1 3.23Å; R172-E181 IonicContact NH1-OE1 2.82Å; R172-E181 PolarHBondContact NH1-OE1 3.27Å; R172-E181 IonicContact NH2-OE1 2.81Å; R172-E181 PolarHBondContact NH2-OE1 2.86Å; Y177-E181 HydrophobicContact CD2-CG 3.85Å; Y177-E181 HydrophobicContact CE1-CB 4.34Å; Y177-E181 HydrophobicContact CE1-CG 4.32Å; Y177-E181 HydrophobicContact CE2-CB 4.47Å; Y177-E181 HydrophobicContact CE2-CG 3.64Å; Y177-E181 HydrophobicContact CG-CG 4.27Å; Y177-E181 WeakPolarHBondContact O-CB 3.5Å; Y177-E181 WeakPolarHBondContact O-CG 3.39Å; Y177-E181 PolarHBondContact O-N 3.33Å
182I96.5Very high97Very high1 Ų131.2 Ų31.21%0.00516%0.16CC..Iπ-helixtrans-128.2-63.1-173.7-54.3-178.7000110.8F73 K77 F178 L186 L281 L284F73-I182 VanDerWaalsContact C-CD1 3.5Å; F73-I182 HydrophobicContact CB-CD1 3.95Å; F73-I182 VanDerWaalsContact O-CD1 3.27Å; F73-I182 WeakPolarHBondContact O-CD1 3.4Å; K77-I182 HydrophobicContact CB-CD1 4.15Å; F178-I182 HydrophobicContact CD2-CB 4.23Å; F178-I182 HydrophobicContact CD2-CD1 3.92Å; F178-I182 HydrophobicContact CE2-CB 4.25Å; F178-I182 HydrophobicContact CE2-CD1 4.23Å; F178-I182 HydrophobicContact CE2-CG2 4.06Å; F178-I182 HydrophobicContact CZ-CG2 4.46Å; F178-I182 WeakPolarHBondContact O-CA 3.29Å; F178-I182 WeakPolarHBondContact O-CB 3.47Å; F178-I182 PolarHBondContact O-N 2.81Å; I182-L186 HydrophobicContact CG2-CD1 3.94Å; I182-L186 WeakPolarHBondContact O-CB 3.36Å; I182-L186 WeakPolarHBondContact O-CD1 3.32Å; I182-L186 WeakPolarHBondContact O-CG 3.46Å; I182-L186 PolarHBondContact O-N 3.37Å; I182-L281 HydrophobicContact CG2-CD1 3.82Å; I182-L284 HydrophobicContact CG2-CD1 4.32Å
183A96.5Very high96.9Very high0 Ų030.4 Ų30.40%016%0.159CC..Iπ-helixtrans-67-51.3-169.200000113.2F178 M179 L186 G187 L188 M190F178-A183 HydrophobicContact CD1-CB 4.24Å; F178-A183 HydrophobicContact CE1-CB 3.89Å; F178-A183 PolarHBondContact O-N 3.41Å; M179-A183 HydrophobicContact CE-CB 3.72Å; M179-A183 HydrophobicContact SD-CB 3.93Å; A183-L186 PolarHBondContact O-N 3.01Å; A183-G187 PolarHBondContact O-N 3.41Å; A183-L188 HydrophobicContact CB-CB 4.29Å; A183-L188 WeakPolarHBondContact O-CB 3.46Å; A183-L188 PolarHBondContact O-N 3.32Å; A183-M190 HydrophobicContact CB-CB 4.48Å; A183-M190 HydrophobicContact CB-SD 4.43Å
184W95.8Very high96.7Very high125 Ų12529 Ų2947%0.47315%0.15SC..THydrogen-bonded Turntrans-68.6-43.2-177.6-63.5-24.6000114.2R176 M179 E180 L186 G187R176-W184 VanDerWaalsContact CZ-CH2 3.49Å; M179-W184 HydrophobicContact CB-CD2 4.26Å; M179-W184 HydrophobicContact CB-CH2 4.4Å; M179-W184 HydrophobicContact CB-CZ2 3.97Å; M179-W184 VanDerWaalsContact O-CB 3.31Å; M179-W184 WeakPolarHBondContact O-CB 3.43Å; M179-W184 PolarHBondContact O-N 3Å; E180-W184 HydrophobicContact CB-CE3 4.31Å; E180-W184 HydrophobicContact CB-CZ3 4.4Å; E180-W184 HydrophobicContact CG-CE3 3.67Å; E180-W184 HydrophobicContact CG-CH2 4.32Å; E180-W184 HydrophobicContact CG-CZ3 3.34Å; W184-L186 PolarHBondContact O-N 3.42Å; W184-G187 PolarHBondContact O-N 3.33Å
185P94.7Very high96.5Very high55 Ų5531.5 Ų31.536%0.35717%0.167SC..THydrogen-bonded Turntrans-57.3-35.7174.8-26.536.3000112.2E180 G187 P301E180-P185 VanDerWaalsContact O-CD 3.24Å; E180-P185 WeakPolarHBondContact O-CD 2.93Å; E180-P185 WeakPolarHBondContact O-CG 3.37Å; P185-G187 VanDerWaalsContact C-N 3.26Å; P185-G187 PolarHBondContact O-N 3.3Å; P185-P301 VanDerWaalsContact C-CG 3.49Å; P185-P301 HydrophobicContact CB-CB 4.22Å; P185-P301 HydrophobicContact CB-CG 3.37Å; P185-P301 WeakPolarHBondContact O-CD 3.21Å; P185-P301 WeakPolarHBondContact O-CG 2.93Å
186L92.3Very high96.2Very high16 Ų1638.2 Ų38.28%0.08419%0.191CC..THydrogen-bonded Turntrans-80.3-5.8177.1-63.1169.6000113.5I182 A183 W184 L188 R280 L284 I300I182-L186 HydrophobicContact CG2-CD1 3.94Å; I182-L186 WeakPolarHBondContact O-CB 3.36Å; I182-L186 WeakPolarHBondContact O-CD1 3.32Å; I182-L186 WeakPolarHBondContact O-CG 3.46Å; I182-L186 PolarHBondContact O-N 3.37Å; A183-L186 PolarHBondContact O-N 3.01Å; W184-L186 PolarHBondContact O-N 3.42Å; L186-L188 VanDerWaalsContact C-N 3.29Å; L186-L188 HydrophobicContact CB-CD1 4.05Å; L186-L188 HydrophobicContact CB-CD2 4.47Å; L186-L188 HydrophobicContact CB-CG 3.75Å; L186-L188 HydrophobicContact CD1-CD1 3.97Å; L186-L188 PolarHBondContact O-N 3.26Å; L186-R280 PolarHBondContact O-NH1 2.98Å; L186-R280 PolarHBondContact O-NH2 3Å; L186-L284 HydrophobicContact CD1-CD1 3.64Å; L186-L284 HydrophobicContact CD1-CD2 4.07Å; L186-L284 HydrophobicContact CD1-CG 4.11Å; L186-L284 HydrophobicContact CD2-CD2 4.02Å; L186-I300 HydrophobicContact CD2-CG2 3.79Å
187G94.3Very high96.1Very high52 Ų5237.7 Ų37.754%0.53620%0.201SC..THydrogen-bonded Turntrans61.437.9-173.500000112.2A183 W184 P185 R280A183-G187 PolarHBondContact O-N 3.41Å; W184-G187 PolarHBondContact O-N 3.33Å; P185-G187 VanDerWaalsContact C-N 3.26Å; P185-G187 PolarHBondContact O-N 3.3Å; G187-R280 PolarHBondContact O-NH1 3.36Å
188L96.3Very high95.9Very high7 Ų739.9 Ų39.94%0.03721%0.211CC..  trans-83.9126.6175.3-60176.7000109.9A183 L186 M190 N277 R280 L281A183-L188 HydrophobicContact CB-CB 4.29Å; A183-L188 WeakPolarHBondContact O-CB 3.46Å; A183-L188 PolarHBondContact O-N 3.32Å; L186-L188 VanDerWaalsContact C-N 3.29Å; L186-L188 HydrophobicContact CB-CD1 4.05Å; L186-L188 HydrophobicContact CB-CD2 4.47Å; L186-L188 HydrophobicContact CB-CG 3.75Å; L186-L188 HydrophobicContact CD1-CD1 3.97Å; L186-L188 PolarHBondContact O-N 3.26Å; L188-M190 HydrophobicContact CB-CE 4.25Å; L188-M190 HydrophobicContact CB-CG 4.08Å; L188-M190 HydrophobicContact CB-SD 4.14Å; L188-M190 HydrophobicContact CD1-CE 3.95Å; L188-M190 HydrophobicContact CD1-SD 4.19Å; L188-M190 PolarHBondContact O-N 3.02Å; L188-M190 VanDerWaalsContact O-N 3.09Å; L188-N277 HydrophobicContact CD2-CB 4.46Å; L188-R280 HydrophobicContact CD2-CB 3.89Å; L188-R280 HydrophobicContact CD2-CG 3.84Å; L188-L281 HydrophobicContact CD1-CB 3.94Å; L188-L281 HydrophobicContact CD1-CD1 3.92Å
189D97.1Very high95.6Very high56 Ų5642.6 Ų42.630%0.29923%0.225SC..  trans-82.188.2174.8176.527.2000109.2R201 T273 N277D189-R201 IonicContact OD1-CZ 2.97Å; D189-R201 IonicContact OD1-NH1 3.11Å; D189-R201 PolarHBondContact OD1-NH1 2.97Å; D189-R201 IonicContact OD1-NH2 2.72Å; D189-R201 PolarHBondContact OD1-NH2 3.09Å; D189-R201 VanDerWaalsContact OD1-NH2 3.07Å; D189-R201 IonicContact OD2-CZ 3.3Å; D189-R201 IonicContact OD2-NH1 3.75Å; D189-R201 IonicContact OD2-NH2 3.82Å; D189-R201 PolarHBondContact OD2-NH2 3.22Å; D189-T273 PolarHBondContact O-OG1 3.39Å; D189-N277 PolarHBondContact N-OD1 3.06Å
190M98Very high95.4Very high4 Ų450.4 Ų50.42%0.0226%0.255CS..  trans-133.9147.5-178-64.7-175172.100109.5F178 M179 A183 L188 L271 F272 T273 N277 L281F178-M190 HydrophobicContact CE1-SD 3.96Å; F178-M190 HydrophobicContact CZ-SD 4.15Å; M179-M190 HydrophobicContact CE-CB 4.23Å; M179-M190 WeakPolarHBondContact CE-O 3.31Å; M179-M190 HydrophobicContact SD-CB 4.33Å; A183-M190 HydrophobicContact CB-CB 4.48Å; A183-M190 HydrophobicContact CB-SD 4.43Å; L188-M190 HydrophobicContact CB-CE 4.25Å; L188-M190 HydrophobicContact CB-CG 4.08Å; L188-M190 HydrophobicContact CB-SD 4.14Å; L188-M190 HydrophobicContact CD1-CE 3.95Å; L188-M190 HydrophobicContact CD1-SD 4.19Å; L188-M190 PolarHBondContact O-N 3.02Å; L188-M190 VanDerWaalsContact O-N 3.09Å; M190-L271 HydrophobicContact CB-CD1 4.14Å; M190-L271 HydrophobicContact SD-CD1 4.49Å; M190-F272 WeakPolarHBondContact CA-O 3.31Å; M190-T273 HydrophobicContact CE-CG2 4.37Å; M190-T273 HydrophobicContact CG-CG2 4.37Å; M190-N277 HydrophobicContact CE-CB 4.14Å; M190-N277 VanDerWaalsContact CE-O 3.22Å; M190-N277 WeakPolarHBondContact CE-O 3.49Å; M190-L281 HydrophobicContact CE-CB 3.95Å; M190-L281 HydrophobicContact CE-CD2 4.17Å
191L97.9Very high95.2Very high37 Ų3749.5 Ų49.519%0.19425%0.25CS..EExtended strand (participates in β ladder)trans-134.3132.4173.9-61.7167.8000108.2I60 I194 Q198 L271 F272I60-L191 HydrophobicContact CD1-CD1 3.99Å; L191-I194 HydrophobicContact CD1-CD1 3.55Å; L191-Q198 HydrophobicContact CD1-CB 3.82Å; L191-Q198 HydrophobicContact CD1-CG 3.87Å; L191-L271 CarbonylContact O-C 3.52Å; L191-L271 WeakPolarHBondContact O-CA 3.32Å; L191-F272 HydrophobicContact CB-CB 4.37Å; L191-F272 PolarHBondContact N-O 3.26Å; L191-F272 PolarHBondContact O-N 3.46Å
192I97.6Very high95.2Very high18 Ų1848 Ų489%0.09224%0.244CC..EExtended strand (participates in β ladder)trans-112.4111.6172-57.1170.2000107.5V70 A175 F178 M179 P265 V267 H270 L271V70-I192 HydrophobicContact CB-CD1 4.49Å; V70-I192 HydrophobicContact CG1-CD1 4Å; V70-I192 HydrophobicContact CG2-CD1 3.65Å; V70-I192 HydrophobicContact CG2-CG1 4.4Å; A175-I192 HydrophobicContact CB-CB 3.9Å; A175-I192 HydrophobicContact CB-CD1 4.06Å; A175-I192 HydrophobicContact CB-CG2 3.55Å; F178-I192 HydrophobicContact CB-CD1 4.28Å; F178-I192 HydrophobicContact CD1-CD1 3.61Å; F178-I192 HydrophobicContact CE1-CD1 4.33Å; F178-I192 HydrophobicContact CG-CD1 4.22Å; M179-I192 HydrophobicContact CG-CD1 4.39Å; M179-I192 HydrophobicContact SD-CD1 4.13Å; M179-I192 HydrophobicContact SD-CG1 4.13Å; I192-P265 HydrophobicContact CG2-CB 4.07Å; I192-P265 WeakPolarHBondContact O-CB 2.99Å; I192-V267 HydrophobicContact CG2-CG1 4.08Å; I192-H270 CarbonylContact C-O 3.55Å; I192-H270 VanDerWaalsContact CA-O 3.3Å; I192-H270 WeakPolarHBondContact CA-O 3.47Å; I192-L271 HydrophobicContact CD1-CD1 4.48Å; I192-L271 HydrophobicContact CG1-CD1 3.71Å
193G95Very high95.1Very high6 Ų647.9 Ų47.96%0.06224%0.244CC..SBendtrans74.4139.3-154.100000110.2L262 H270G193-L262 CarbonylContact C-O 3.13Å; G193-L262 VanDerWaalsContact CA-O 3.24Å; G193-L262 WeakPolarHBondContact CA-O 3.13Å; G193-H270 PolarHBondContact N-O 2.97Å
194I94.2Very high94.8Very high2 Ų252.5 Ų52.51%0.0126%0.261CS..  trans-110.6110-176.1-175.773.5000110.6I60 L191 Q198 L199 V202 L262 E263 F272I60-I194 HydrophobicContact CD1-CD1 4.01Å; L191-I194 HydrophobicContact CD1-CD1 3.55Å; I194-Q198 HydrophobicContact CD1-CB 3.55Å; I194-Q198 HydrophobicContact CG1-CB 4.39Å; I194-L199 HydrophobicContact CG1-CD2 3.91Å; I194-L199 HydrophobicContact CG1-CG 4.38Å; I194-L199 HydrophobicContact CG2-CD2 3.93Å; I194-V202 HydrophobicContact CD1-CG2 3.83Å; I194-V202 HydrophobicContact CG1-CG2 3.84Å; I194-L262 HydrophobicContact CG2-CB 3.69Å; I194-L262 PolarHBondContact N-O 2.71Å; I194-E263 WeakPolarHBondContact O-CG 3.48Å; I194-F272 HydrophobicContact CB-CD2 3.9Å; I194-F272 HydrophobicContact CB-CE1 4.4Å; I194-F272 HydrophobicContact CB-CE2 3.75Å; I194-F272 HydrophobicContact CB-CG 4.32Å; I194-F272 HydrophobicContact CB-CZ 4.02Å; I194-F272 HydrophobicContact CD1-CG 4.48Å; I194-F272 HydrophobicContact CG2-CD2 4.36Å; I194-F272 HydrophobicContact CG2-CE1 4.18Å; I194-F272 HydrophobicContact CG2-CE2 3.7Å; I194-F272 HydrophobicContact CG2-CZ 3.61Å
195P94.2Very high94.4Very high52 Ų5247 Ų4734%0.33824%0.242SC..  trans-66.6149.3174.527.3-34000110.8T197 Q198P195-T197 PolarHBondContact O-N 2.9Å; P195-Q198 HydrophobicContact CG-CB 4.09Å; P195-Q198 HydrophobicContact CG-CG 3.75Å; P195-Q198 PolarHBondContact O-N 3.48Å
196R92.7Very high93.8Very high145 Ų14547.2 Ų47.255%0.54724%0.236SC..G310 helixtrans-52.5-35.3-179.2-52.3-164.1171-154-2.2113.9Q198 L199 D260 E263R196-Q198 PolarHBondContact O-N 2.92Å; R196-L199 HydrophobicContact CB-CD1 4.34Å; R196-L199 PolarHBondContact O-N 2.6Å; R196-D260 IonicContact CZ-OD1 3.57Å; R196-D260 IonicContact NH2-OD1 2.9Å; R196-D260 PolarHBondContact NH2-OD1 3.09Å; R196-E263 WeakPolarHBondContact CG-OE1 3.45Å; R196-E263 IonicContact NE-OE1 3.99Å; R196-E263 PolarHBondContact NE-OE1 3.28Å; R196-E263 VanDerWaalsContact NE-OE1 3.15Å
197T95.6Very high92.9Very high105 Ų10548.2 Ų48.264%0.64424%0.24SC*.G310 helixtrans-66-14.5179.556.10000113.7P195 Y200P195-T197 PolarHBondContact O-N 2.9Å; T197-Y200 WeakPolarHBondContact O-CD1 3.35Å; T197-Y200 VanDerWaalsContact O-CE1 3.29Å; T197-Y200 WeakPolarHBondContact O-CE1 3.23Å
198Q95.6Very high91.5Very high49 Ų4947.7 Ų47.723%0.22923%0.231CC..G310 helixtrans-109.3-5.4179.6-63.2-65.9-54.200113.1L191 I194 P195 R196 Y200 R201L191-Q198 HydrophobicContact CD1-CB 3.82Å; L191-Q198 HydrophobicContact CD1-CG 3.87Å; I194-Q198 HydrophobicContact CD1-CB 3.55Å; I194-Q198 HydrophobicContact CG1-CB 4.39Å; P195-Q198 HydrophobicContact CG-CB 4.09Å; P195-Q198 HydrophobicContact CG-CG 3.75Å; P195-Q198 PolarHBondContact O-N 3.48Å; R196-Q198 PolarHBondContact O-N 2.92Å; Q198-Y200 PolarHBondContact O-N 3.18Å; Q198-Y200 VanDerWaalsContact O-N 3.11Å; Q198-R201 WeakPolarHBondContact O-CB 3.49Å; Q198-R201 PolarHBondContact O-N 2.86Å
199L92.1Very high89.5Confident58 Ų5851.8 Ų51.830%0.30425%0.252SS..G310 helixtrans-57.5-29.2-178.5-76.4172.4000113.5I194 R196 R201 V202I194-L199 HydrophobicContact CG1-CD2 3.91Å; I194-L199 HydrophobicContact CG1-CG 4.38Å; I194-L199 HydrophobicContact CG2-CD2 3.93Å; R196-L199 HydrophobicContact CB-CD1 4.34Å; R196-L199 PolarHBondContact O-N 2.6Å; L199-R201 PolarHBondContact O-N 3.48Å; L199-R201 VanDerWaalsContact O-N 3.1Å; L199-V202 PolarHBondContact O-N 3.02Å; L199-V202 VanDerWaalsContact O-N 3.08Å
200Y92.5Very high87.3Confident177 Ų17753.1 Ų53.169%0.69427%0.271SS*.G310 helixtrans-61.7-18.7178.478.4-86.6000113.9T197 Q198T197-Y200 WeakPolarHBondContact O-CD1 3.35Å; T197-Y200 VanDerWaalsContact O-CE1 3.29Å; T197-Y200 WeakPolarHBondContact O-CE1 3.23Å; Q198-Y200 PolarHBondContact O-N 3.18Å; Q198-Y200 VanDerWaalsContact O-N 3.11Å
201R95Very high85.2Confident23 Ų2359 Ų599%0.08730%0.302CS..G310 helixtrans-89.1-17.3179.5-56.9173.459.1-163.1-7.2112.8S58 T59 I60 D189 Q198 L199S58-R201 PolarHBondContact O-NE 3.14Å; S58-R201 PolarHBondContact O-NH2 2.98Å; S58-R201 VanDerWaalsContact O-NH2 3.12Å; T59-R201 WeakPolarHBondContact CA-O 3.4Å; I60-R201 HydrophobicContact CD1-CB 4.08Å; I60-R201 HydrophobicContact CG1-CB 3.96Å; I60-R201 PolarHBondContact N-O 2.97Å; D189-R201 IonicContact OD1-CZ 2.97Å; D189-R201 IonicContact OD1-NH1 3.11Å; D189-R201 PolarHBondContact OD1-NH1 2.97Å; D189-R201 IonicContact OD1-NH2 2.72Å; D189-R201 PolarHBondContact OD1-NH2 3.09Å; D189-R201 VanDerWaalsContact OD1-NH2 3.07Å; D189-R201 IonicContact OD2-CZ 3.3Å; D189-R201 IonicContact OD2-NH1 3.75Å; D189-R201 IonicContact OD2-NH2 3.82Å; D189-R201 PolarHBondContact OD2-NH2 3.22Å; Q198-R201 WeakPolarHBondContact O-CB 3.49Å; Q198-R201 PolarHBondContact O-N 2.86Å; L199-R201 PolarHBondContact O-N 3.48Å; L199-R201 VanDerWaalsContact O-N 3.1Å
202V94.8Very high83.1Confident19 Ų1958.5 Ų58.512%0.11530%0.302CS..BIsolated β-bridgetrans-78.1126.6-171-178.70000110.1I60 I194 L199 F272I60-V202 HydrophobicContact CD1-CG2 4.19Å; I60-V202 HydrophobicContact CG1-CG2 4.07Å; I60-V202 CarbonylContact O-C 3.44Å; I60-V202 WeakPolarHBondContact O-CA 3.04Å; I194-V202 HydrophobicContact CD1-CG2 3.83Å; I194-V202 HydrophobicContact CG1-CG2 3.84Å; L199-V202 PolarHBondContact O-N 3.02Å; L199-V202 VanDerWaalsContact O-N 3.08Å; V202-F272 HydrophobicContact CG1-CD1 4.09Å; V202-F272 HydrophobicContact CG1-CE1 3.93Å; V202-F272 HydrophobicContact CG2-CD1 4.04Å; V202-F272 HydrophobicContact CG2-CE1 4.28Å
203A94.1Very high81.1Confident0 Ų059.6 Ų59.60%031%0.309CS..PPolyproline II helixtrans-68.6134.7171.600000111.2V47 W55 T59 I60 T205 N374V47-A203 HydrophobicContact CG1-CB 4.09Å; W55-A203 HydrophobicContact CH2-CB 3.92Å; W55-A203 HydrophobicContact CZ3-CB 3.78Å; T59-A203 HydrophobicContact CG2-CB 3.85Å; I60-A203 PolarHBondContact O-N 3.18Å; A203-T205 PolarHBondContact O-N 2.83Å; A203-N374 HydrophobicContact CB-CB 3.65Å
204R90.4Very high79Confident96 Ų9665.5 Ų65.536%0.36233%0.334SS..PPolyproline II helixtrans-67.5120.1174.4175.9172.3-82.3154.32.7109.1V47 D48 Y206 W257 N374V47-R204 PolarHBondContact O-N 3.47Å; D48-R204 IonicContact OD1-NH1 3.83Å; D48-R204 IonicContact OD2-CZ 2.61Å; D48-R204 VanDerWaalsContact OD2-CZ 3.26Å; D48-R204 IonicContact OD2-NE 3.15Å; D48-R204 IonicContact OD2-NH1 3.84Å; D48-R204 PolarHBondContact OD2-NH1 2.96Å; D48-R204 IonicContact OD2-NH2 2.79Å; R204-Y206 HydrophobicContact CB-CE2 4.19Å; R204-Y206 HydrophobicContact CG-CE1 4.43Å; R204-Y206 HydrophobicContact CG-CE2 4.11Å; R204-Y206 WeakPolarHBondContact O-CD2 3.33Å; R204-Y206 WeakPolarHBondContact O-CE2 3.35Å; R204-W257 HydrophobicContact CB-CH2 4.44Å; R204-W257 HydrophobicContact CG-CH2 4.43Å; R204-W257 HydrophobicContact CG-CZ2 4.23Å; R204-N374 VanDerWaalsContact O-CB 3.26Å; R204-N374 WeakPolarHBondContact O-CB 3.26Å; R204-N374 PolarHBondContact O-ND2 2.98Å
205T87.4Confident77Confident10 Ų1067.7 Ų67.76%0.06135%0.349CS..PPolyproline II helixtrans-74.2139.5173.867.50000111.6F64 A203 H207 W257 L355 N374F64-T205 HydrophobicContact CE2-CG2 4.04Å; F64-T205 HydrophobicContact CZ-CG2 4.13Å; A203-T205 PolarHBondContact O-N 2.83Å; T205-H207 PolarHBondContact OG1-NE2 2.99Å; T205-H207 VanDerWaalsContact OG1-NE2 3.11Å; T205-W257 HydrophobicContact CG2-CZ2 4.36Å; T205-W257 WeakPolarHBondContact OG1-CZ2 3.48Å; T205-L355 HydrophobicContact CG2-CD1 3.98Å; T205-N374 CarbonylContact C-O 3.48Å; T205-N374 VanDerWaalsContact CA-O 3.27Å; T205-N374 WeakPolarHBondContact CA-O 3.31Å
206Y82.9Confident75Confident59 Ų5965.3 Ų65.323%0.23133%0.334CS..BIsolated β-bridgetrans-121100.7176.4-63.5-87.6000108.1D48 K49 R204 N374 H375 A376D48-Y206 PolarHBondContact OD1-OH 3.13Å; D48-Y206 VanDerWaalsContact OD1-OH 3.14Å; K49-Y206 HydrophobicContact CB-CE1 4.34Å; K49-Y206 HydrophobicContact CB-CE2 4.13Å; K49-Y206 PolarHBondContact N-OH 3.33Å; R204-Y206 HydrophobicContact CB-CE2 4.19Å; R204-Y206 HydrophobicContact CG-CE1 4.43Å; R204-Y206 HydrophobicContact CG-CE2 4.11Å; R204-Y206 WeakPolarHBondContact O-CD2 3.33Å; R204-Y206 WeakPolarHBondContact O-CE2 3.35Å; Y206-N374 PolarHBondContact N-O 3.28Å; Y206-H375 AromaticContact CD2-CD2 3.55Å; Y206-H375 AromaticContact CD2-CE1 3.47Å; Y206-H375 VanDerWaalsContact CD2-CE1 3.47Å; Y206-H375 WeakPolarHBondContact CD2-CE1 3.38Å; Y206-H375 AromaticContact CD2-ND1 3.98Å; Y206-H375 AromaticContact CD2-NE2 3.2Å; Y206-H375 WeakPolarHBondContact CD2-NE2 3.37Å; Y206-H375 AromaticContact CE2-CE1 3.72Å; Y206-H375 AromaticContact CE2-NE2 3.59Å; Y206-H375 AromaticContact CG-CD2 3.74Å; Y206-H375 AromaticContact CG-NE2 3.7Å; Y206-A376 WeakPolarHBondContact O-CB 3.46Å; Y206-A376 PolarHBondContact O-N 3.18Å
207H73.8Confident73.3Confident38 Ų3862.8 Ų62.818%0.17633%0.33CS..  trans-76157179.9-65.5-88.6000111.9F64 T205 N209 Y254F64-H207 AromaticContact CE1-CE1 3.89Å; F64-H207 AromaticContact CZ-CE1 3.55Å; F64-H207 AromaticContact CZ-NE2 3.87Å; T205-H207 PolarHBondContact OG1-NE2 2.99Å; T205-H207 VanDerWaalsContact OG1-NE2 3.11Å; H207-N209 PolarHBondContact O-N 3.18Å; H207-Y254 PolarHBondContact CD2-O 3.47Å; H207-Y254 PolarHBondContact CE1-O 3.36Å; H207-Y254 PolarHBondContact NE2-O 2.75Å; H207-Y254 VanDerWaalsContact NE2-O 3.15Å
208A65.1Low71.4Confident41 Ų4163.5 Ų63.534%0.33933%0.329SS..  trans-54.5135.617300000110.4S212 A376 A378A208-S212 WeakPolarHBondContact CB-OG 3.22Å; A208-A376 HydrophobicContact CB-CB 4.23Å; A208-A378 HydrophobicContact CB-CB 3.6Å
209N54.8Low69.7Low92 Ų9267 Ų6749%0.49235%0.346SS..  trans-135-176.3-179.466.222.6000110H207 L211 S212 V213H207-N209 PolarHBondContact O-N 3.18Å; N209-L211 PolarHBondContact O-N 3.32Å; N209-L211 WeakPolarHBondContact OD1-CA 3.37Å; N209-L211 VanDerWaalsContact OD1-CB 3.23Å; N209-L211 WeakPolarHBondContact OD1-CB 3.28Å; N209-L211 PolarHBondContact OD1-N 3.32Å; N209-S212 PolarHBondContact N-OG 3.34Å; N209-S212 PolarHBondContact O-N 3.13Å; N209-S212 PolarHBondContact O-OG 2.69Å; N209-V213 PolarHBondContact O-N 2.94Å
210A50.8Low68.1Low85 Ų8571.4 Ų71.470%0.70237%0.369SS*.Hα-helixtrans-53-28.1-179.800000113.9V213 F214A210-V213 PolarHBondContact O-N 3.26Å; A210-F214 PolarHBondContact O-N 2.99Å; A210-F214 VanDerWaalsContact O-N 3.1Å
211L52Low66.6Low127 Ų12764 Ų6467%0.66534%0.341SS*.Hα-helixtrans-71.6-30.4176.9-60166.9000112.7N209 V213 F214 S215N209-L211 PolarHBondContact O-N 3.32Å; N209-L211 WeakPolarHBondContact OD1-CA 3.37Å; N209-L211 VanDerWaalsContact OD1-CB 3.23Å; N209-L211 WeakPolarHBondContact OD1-CB 3.28Å; N209-L211 PolarHBondContact OD1-N 3.32Å; L211-V213 VanDerWaalsContact C-N 3.32Å; L211-F214 PolarHBondContact O-N 3.44Å; L211-S215 WeakPolarHBondContact O-CB 3.46Å; L211-S215 PolarHBondContact O-N 3.24Å
212S55.2Low64.9Low26 Ų2668.2 Ų68.218%0.18237%0.369CS..Hα-helixtrans-69.6-33.4174.364.90000111.4A208 N209 S215 A216 Y224A208-S212 WeakPolarHBondContact CB-OG 3.22Å; N209-S212 PolarHBondContact N-OG 3.34Å; N209-S212 PolarHBondContact O-N 3.13Å; N209-S212 PolarHBondContact O-OG 2.69Å; S212-S215 PolarHBondContact O-N 2.91Å; S212-A216 WeakPolarHBondContact O-CB 3.25Å; S212-A216 PolarHBondContact O-N 2.95Å; S212-Y224 WeakPolarHBondContact O-CE1 3.15Å; S212-Y224 PolarHBondContact OG-OH 2.91Å
213V54.1Low63Low42 Ų4270 Ų7026%0.25538%0.38SS..Hα-helixtrans-63.1-45.8170.5-172.40000110.9N209 A210 L211 A216 I217 Y224 P225N209-V213 PolarHBondContact O-N 2.94Å; A210-V213 PolarHBondContact O-N 3.26Å; L211-V213 VanDerWaalsContact C-N 3.32Å; V213-A216 PolarHBondContact O-N 3.2Å; V213-I217 HydrophobicContact CG1-CD1 4.18Å; V213-I217 VanDerWaalsContact O-CG1 3.31Å; V213-I217 WeakPolarHBondContact O-CG1 3.29Å; V213-I217 PolarHBondContact O-N 2.7Å; V213-Y224 HydrophobicContact CB-CE1 4.19Å; V213-Y224 HydrophobicContact CG2-CE1 3.85Å; V213-P225 HydrophobicContact CG1-CB 4.06Å
214F50.9Low61.1Low130 Ų13070.7 Ų70.757%0.5738%0.383SS*.Hα-helixtrans-63.6-43.3176.9-165.5-100.3000112.6A210 L211 A216 I217 L218A210-F214 PolarHBondContact O-N 2.99Å; A210-F214 VanDerWaalsContact O-N 3.1Å; L211-F214 PolarHBondContact O-N 3.44Å; F214-A216 PolarHBondContact O-N 3.23Å; F214-I217 PolarHBondContact O-N 2.89Å; F214-L218 HydrophobicContact CD1-CD1 3.66Å; F214-L218 HydrophobicContact CD1-CG 4.24Å; F214-L218 HydrophobicContact CE1-CD1 3.58Å; F214-L218 HydrophobicContact CE1-CD2 4.48Å; F214-L218 HydrophobicContact CE1-CG 4.07Å; F214-L218 WeakPolarHBondContact O-CG 3.32Å; F214-L218 PolarHBondContact O-N 2.93Å
215S53.3Low59.5Low48 Ų4867.8 Ų67.834%0.33638%0.376SS..Hα-helixtrans-60.4-42.7174.7170.60000112.1L211 S212 I217 L218 H219L211-S215 WeakPolarHBondContact O-CB 3.46Å; L211-S215 PolarHBondContact O-N 3.24Å; S212-S215 PolarHBondContact O-N 2.91Å; S215-I217 PolarHBondContact O-N 3.24Å; S215-L218 WeakPolarHBondContact O-CB 3.11Å; S215-L218 PolarHBondContact O-N 3.18Å; S215-H219 PolarHBondContact O-CD2 3.08Å; S215-H219 PolarHBondContact O-N 2.88Å
216A52.8Low58.2Low2 Ų275.5 Ų75.52%0.01740%0.404CS..Hα-helixtrans-64.4-40.1177.200000112.7S212 V213 F214 L218 H219 L220 D221 Y224S212-A216 WeakPolarHBondContact O-CB 3.25Å; S212-A216 PolarHBondContact O-N 2.95Å; V213-A216 PolarHBondContact O-N 3.2Å; F214-A216 PolarHBondContact O-N 3.23Å; A216-L218 VanDerWaalsContact C-N 3.34Å; A216-H219 CarbonylContact O-C 3.48Å; A216-H219 PolarHBondContact O-N 2.82Å; A216-L220 PolarHBondContact O-N 2.9Å; A216-D221 HydrophobicContact CB-CB 4.36Å; A216-D221 PolarHBondContact O-N 3.2Å; A216-Y224 HydrophobicContact CB-CD1 3.14Å; A216-Y224 HydrophobicContact CB-CE1 3.93Å; A216-Y224 HydrophobicContact CB-CG 3.61Å
217I55.7Low57.1Low92 Ų9275.6 Ų75.647%0.47241%0.406SS..Hα-helixtrans-60.8-43.8173.3-67.7167.6000110.5V213 F214 S215 H219 L220 P225V213-I217 HydrophobicContact CG1-CD1 4.18Å; V213-I217 VanDerWaalsContact O-CG1 3.31Å; V213-I217 WeakPolarHBondContact O-CG1 3.29Å; V213-I217 PolarHBondContact O-N 2.7Å; F214-I217 PolarHBondContact O-N 2.89Å; S215-I217 PolarHBondContact O-N 3.24Å; I217-H219 VanDerWaalsContact C-N 3.25Å; I217-H219 PolarHBondContact O-N 3.08Å; I217-L220 PolarHBondContact O-N 3.01Å; I217-P225 HydrophobicContact CG1-CG 4.2Å
218L57Low56.6Low120 Ų12076.6 Ų76.663%0.62841%0.412SS*.Hα-helixtrans-61.2-32.6175.4-76.8167.8000112.9F214 S215 A216 L220F214-L218 HydrophobicContact CD1-CD1 3.66Å; F214-L218 HydrophobicContact CD1-CG 4.24Å; F214-L218 HydrophobicContact CE1-CD1 3.58Å; F214-L218 HydrophobicContact CE1-CD2 4.48Å; F214-L218 HydrophobicContact CE1-CG 4.07Å; F214-L218 WeakPolarHBondContact O-CG 3.32Å; F214-L218 PolarHBondContact O-N 2.93Å; S215-L218 WeakPolarHBondContact O-CB 3.11Å; S215-L218 PolarHBondContact O-N 3.18Å; A216-L218 VanDerWaalsContact C-N 3.34Å; L218-L220 PolarHBondContact O-N 2.99Å
219H59.1Low56.4Low123 Ų12378.6 Ų78.657%0.56942%0.417SS*.THydrogen-bonded Turntrans-85.111.8174.4-69.8-61.1000113.8S215 A216 I217 D221S215-H219 PolarHBondContact O-CD2 3.08Å; S215-H219 PolarHBondContact O-N 2.88Å; A216-H219 CarbonylContact O-C 3.48Å; A216-H219 PolarHBondContact O-N 2.82Å; I217-H219 VanDerWaalsContact C-N 3.25Å; I217-H219 PolarHBondContact O-N 3.08Å; H219-D221 PolarHBondContact O-N 2.79Å; H219-D221 VanDerWaalsContact O-N 3.07Å
220L59.6Low56.6Low150 Ų15075.6 Ų75.679%0.78540%0.402SS*.THydrogen-bonded Turntrans55.421.7-176.6-61.2170.6000113.8A216 I217 L218 V222A216-L220 PolarHBondContact O-N 2.9Å; I217-L220 PolarHBondContact O-N 3.01Å; L218-L220 PolarHBondContact O-N 2.99Å; L220-V222 VanDerWaalsContact C-N 3.27Å; L220-V222 PolarHBondContact O-N 3.44Å
221D59.6Low57Low22 Ų2272.4 Ų72.412%0.11837%0.374CS..  trans-8376.3173.5-174.1-1.4000109.2A216 H219 T223 Y224 P225 R379A216-D221 HydrophobicContact CB-CB 4.36Å; A216-D221 PolarHBondContact O-N 3.2Å; H219-D221 PolarHBondContact O-N 2.79Å; H219-D221 VanDerWaalsContact O-N 3.07Å; D221-T223 PolarHBondContact O-N 3.19Å; D221-T223 WeakPolarHBondContact OD1-CB 3.45Å; D221-T223 PolarHBondContact OD1-N 3.15Å; D221-T223 VanDerWaalsContact OD1-N 3.13Å; D221-T223 PolarHBondContact OD1-OG1 3.13Å; D221-Y224 PolarHBondContact O-N 3.22Å; D221-Y224 PolarHBondContact OD1-N 3.1Å; D221-P225 WeakPolarHBondContact O-CD 3.4Å; D221-R379 IonicContact OD2-CZ 3.41Å; D221-R379 IonicContact OD2-NE 3Å; D221-R379 IonicContact OD2-NH1 3.87Å; D221-R379 PolarHBondContact OD2-NH1 3.26Å; D221-R379 IonicContact OD2-NH2 3.07Å
222V58.9Low57.3Low110 Ų11067.3 Ų67.367%0.66735%0.35SS*.THydrogen-bonded Turntrans-61.7-18.9174.2-71.20000112.8L220 Y224 P225 W226L220-V222 VanDerWaalsContact C-N 3.27Å; L220-V222 PolarHBondContact O-N 3.44Å; V222-Y224 VanDerWaalsContact C-N 3.34Å; V222-P225 WeakPolarHBondContact O-CD 3.47Å; V222-P225 WeakPolarHBondContact O-CG 3.36Å; V222-W226 WeakPolarHBondContact O-CB 3.44Å; V222-W226 PolarHBondContact O-N 2.95Å
223T55.4Low57.4Low57 Ų5768.4 Ų68.435%0.3537%0.366SS..Hα-helixtrans-74.7-25.9-179.473.40000112.7D221 K227 K383D221-T223 PolarHBondContact O-N 3.19Å; D221-T223 WeakPolarHBondContact OD1-CB 3.45Å; D221-T223 PolarHBondContact OD1-N 3.15Å; D221-T223 VanDerWaalsContact OD1-N 3.13Å; D221-T223 PolarHBondContact OD1-OG1 3.13Å; T223-K227 VanDerWaalsContact O-CB 3.29Å; T223-K227 WeakPolarHBondContact O-CB 3.32Å; T223-K227 PolarHBondContact O-N 2.81Å; T223-K383 PolarHBondContact OG1-NZ 2.98Å
224Y54.4Low57.6Low15 Ų1575.7 Ų75.76%0.05939%0.389CS..Hα-helixtrans-70.5-54.5177.5179.1-101.8000114.6S212 V213 A216 D221 V222 W226 K227 N228 A378S212-Y224 WeakPolarHBondContact O-CE1 3.15Å; S212-Y224 PolarHBondContact OG-OH 2.91Å; V213-Y224 HydrophobicContact CB-CE1 4.19Å; V213-Y224 HydrophobicContact CG2-CE1 3.85Å; A216-Y224 HydrophobicContact CB-CD1 3.14Å; A216-Y224 HydrophobicContact CB-CE1 3.93Å; A216-Y224 HydrophobicContact CB-CG 3.61Å; D221-Y224 PolarHBondContact O-N 3.22Å; D221-Y224 PolarHBondContact OD1-N 3.1Å; V222-Y224 VanDerWaalsContact C-N 3.34Å; Y224-W226 PolarHBondContact O-N 2.98Å; Y224-K227 PolarHBondContact O-N 2.9Å; Y224-K227 VanDerWaalsContact O-N 3.14Å; Y224-N228 WeakPolarHBondContact CE1-ND2 3.32Å; Y224-N228 PolarHBondContact O-N 2.91Å; Y224-N228 PolarHBondContact OH-ND2 3.34Å; Y224-N228 VanDerWaalsContact OH-ND2 3.17Å; Y224-A378 WeakPolarHBondContact CD2-O 3.5Å; Y224-A378 HydrophobicContact CE2-CB 3.48Å; Y224-A378 VanDerWaalsContact CE2-CB 3.48Å; Y224-A378 WeakPolarHBondContact CE2-O 3.25Å; Y224-A378 WeakPolarHBondContact OH-CB 3.3Å
225P56.8Low58.1Low35 Ų3571.1 Ų71.123%0.22737%0.37CS..Hα-helixtrans-61.1-35.1174.624.3-31.7000111V213 I217 D221 V222 L229V213-P225 HydrophobicContact CG1-CB 4.06Å; I217-P225 HydrophobicContact CG1-CG 4.2Å; D221-P225 WeakPolarHBondContact O-CD 3.4Å; V222-P225 WeakPolarHBondContact O-CD 3.47Å; V222-P225 WeakPolarHBondContact O-CG 3.36Å; P225-L229 VanDerWaalsContact O-CB 3.25Å; P225-L229 WeakPolarHBondContact O-CB 3.31Å; P225-L229 PolarHBondContact O-N 2.85Å
226W60.5Low58.2Low171 Ų17173.6 Ų73.665%0.64839%0.385SS*.Hα-helixtrans-61.6-48.3172.4-176.4-108.6000112.1V222 Y224 L229 V230V222-W226 WeakPolarHBondContact O-CB 3.44Å; V222-W226 PolarHBondContact O-N 2.95Å; Y224-W226 PolarHBondContact O-N 2.98Å; W226-L229 HydrophobicContact CE3-CD2 4.44Å; W226-L229 HydrophobicContact CZ3-CD2 4.27Å; W226-L229 PolarHBondContact O-N 2.85Å; W226-V230 HydrophobicContact CD2-CG1 4.15Å; W226-V230 HydrophobicContact CH2-CG1 4.44Å; W226-V230 HydrophobicContact CZ2-CG1 3.89Å; W226-V230 WeakPolarHBondContact O-CG2 3.47Å; W226-V230 PolarHBondContact O-N 3.24Å
227K59.8Low58.3Low61 Ų6182.8 Ų82.827%0.26542%0.421SS..Hα-helixtrans-61.2-45.7177.5-167.9177.1-178-178.40111.5T223 Y224 L229 V230 T231T223-K227 VanDerWaalsContact O-CB 3.29Å; T223-K227 WeakPolarHBondContact O-CB 3.32Å; T223-K227 PolarHBondContact O-N 2.81Å; Y224-K227 PolarHBondContact O-N 2.9Å; Y224-K227 VanDerWaalsContact O-N 3.14Å; K227-L229 VanDerWaalsContact C-N 3.3Å; K227-L229 PolarHBondContact O-N 2.96Å; K227-V230 WeakPolarHBondContact O-CG2 3.26Å; K227-V230 PolarHBondContact O-N 3.22Å; K227-T231 HydrophobicContact CG-CG2 4.25Å; K227-T231 VanDerWaalsContact O-CB 3.32Å; K227-T231 WeakPolarHBondContact O-CB 3.02Å; K227-T231 VanDerWaalsContact O-CG2 3.27Å; K227-T231 WeakPolarHBondContact O-CG2 3.37Å; K227-T231 PolarHBondContact O-N 3.42Å; K227-T231 PolarHBondContact O-OG1 2.89Å
228N61.8Low58.8Low59 Ų5978.4 Ų78.432%0.31640%0.398SS..Hα-helixtrans-61.8-38.7175.9-82-16.3000112.2Y224 T231 A232Y224-N228 WeakPolarHBondContact CE1-ND2 3.32Å; Y224-N228 PolarHBondContact O-N 2.91Å; Y224-N228 PolarHBondContact OH-ND2 3.34Å; Y224-N228 VanDerWaalsContact OH-ND2 3.17Å; N228-T231 WeakPolarHBondContact CA-OG1 3.36Å; N228-T231 PolarHBondContact O-OG1 2.85Å; N228-A232 WeakPolarHBondContact O-CB 3.27Å; N228-A232 PolarHBondContact O-N 3.45Å
229L61.8Low59.6Low83 Ų8379.3 Ų79.344%0.43540%0.397SS..Hα-helixtrans-65.1-54.3175.7-173.8131.4000110.7P225 W226 K227 T231 A232 L235P225-L229 VanDerWaalsContact O-CB 3.25Å; P225-L229 WeakPolarHBondContact O-CB 3.31Å; P225-L229 PolarHBondContact O-N 2.85Å; W226-L229 HydrophobicContact CE3-CD2 4.44Å; W226-L229 HydrophobicContact CZ3-CD2 4.27Å; W226-L229 PolarHBondContact O-N 2.85Å; K227-L229 VanDerWaalsContact C-N 3.3Å; K227-L229 PolarHBondContact O-N 2.96Å; L229-T231 PolarHBondContact O-N 2.98Å; L229-A232 WeakPolarHBondContact O-CB 3.46Å; L229-A232 PolarHBondContact O-N 2.83Å; L229-L235 HydrophobicContact CD2-CD1 4.04Å; L229-L235 HydrophobicContact CG-CD1 4.36Å; L229-L235 WeakPolarHBondContact O-CD1 3.48Å
230V58.9Low60.3Low29 Ų2977.9 Ų77.918%0.17639%0.391CS..Hα-helixtrans-68.1-20.5-178.1-57.60000114.1W226 K227W226-V230 HydrophobicContact CD2-CG1 4.15Å; W226-V230 HydrophobicContact CH2-CG1 4.44Å; W226-V230 HydrophobicContact CZ2-CG1 3.89Å; W226-V230 WeakPolarHBondContact O-CG2 3.47Å; W226-V230 PolarHBondContact O-N 3.24Å; K227-V230 WeakPolarHBondContact O-CG2 3.26Å; K227-V230 PolarHBondContact O-N 3.22Å
231T59.6Low61.4Low18 Ų1872.6 Ų72.611%0.1136%0.36CS..THydrogen-bonded Turntrans-93.2-3.2173.356.50000113.1K227 N228 L229 G233 H326K227-T231 HydrophobicContact CG-CG2 4.25Å; K227-T231 VanDerWaalsContact O-CB 3.32Å; K227-T231 WeakPolarHBondContact O-CB 3.02Å; K227-T231 VanDerWaalsContact O-CG2 3.27Å; K227-T231 WeakPolarHBondContact O-CG2 3.37Å; K227-T231 PolarHBondContact O-N 3.42Å; K227-T231 PolarHBondContact O-OG1 2.89Å; N228-T231 WeakPolarHBondContact CA-OG1 3.36Å; N228-T231 PolarHBondContact O-OG1 2.85Å; L229-T231 PolarHBondContact O-N 2.98Å; T231-G233 PolarHBondContact O-N 2.88Å; T231-H326 WeakPolarHBondContact CG2-CE1 3.49Å; T231-H326 WeakPolarHBondContact CG2-ND1 3.25Å
232A58.2Low62.5Low21 Ų2173.1 Ų73.117%0.17436%0.363CS..  trans-66.2128.9-178.500000110.3N228 L229 W234 L235 S238N228-A232 WeakPolarHBondContact O-CB 3.27Å; N228-A232 PolarHBondContact O-N 3.45Å; L229-A232 WeakPolarHBondContact O-CB 3.46Å; L229-A232 PolarHBondContact O-N 2.83Å; A232-W234 HydrophobicContact CB-CZ2 4.4Å; A232-W234 VanDerWaalsContact CB-NE1 3.3Å; A232-W234 PolarHBondContact O-N 2.8Å; A232-L235 PolarHBondContact O-N 3.21Å; A232-S238 WeakPolarHBondContact O-CB 3.44Å; A232-S238 PolarHBondContact O-OG 2.85Å
233G57.9Low63.7Low49 Ų4970.9 Ų70.951%0.50535%0.346SS..THydrogen-bonded Turntrans-62.3-17.6-163.700000116.3T231 S238 N242T231-G233 PolarHBondContact O-N 2.88Å; G233-S238 WeakPolarHBondContact CA-OG 3.2Å; G233-S238 PolarHBondContact O-OG 3.11Å; G233-N242 WeakPolarHBondContact CA-ND2 3.32Å; G233-N242 PolarHBondContact O-ND2 3.23Å; G233-N242 VanDerWaalsContact O-ND2 3.15Å
234W57.8Low65.1Low194 Ų19468.2 Ų68.274%0.73533%0.329SS*.THydrogen-bonded Turntrans-82.3-10.8177.957.2-92.1000113.8A232A232-W234 HydrophobicContact CB-CZ2 4.4Å; A232-W234 VanDerWaalsContact CB-NE1 3.3Å; A232-W234 PolarHBondContact O-N 2.8Å
235L60.7Low66.5Low34 Ų3467.9 Ų67.918%0.17833%0.329CS..SBendtrans-86.6140.4175.1-74.7-179000111.7L229 A232 Y237 S238L229-L235 HydrophobicContact CD2-CD1 4.04Å; L229-L235 HydrophobicContact CG-CD1 4.36Å; L229-L235 WeakPolarHBondContact O-CD1 3.48Å; A232-L235 PolarHBondContact O-N 3.21Å; L235-Y237 PolarHBondContact O-N 2.83Å; L235-S238 PolarHBondContact O-N 3.06Å; L235-S238 PolarHBondContact O-OG 2.85Å
236P55.3Low67.8Low101 Ų10169.4 Ų69.466%0.65634%0.335SS*.G310 helixtrans-59.5-32.7-179.322.6-32.5000113S238 K239P236-S238 PolarHBondContact O-N 3.09Å; P236-K239 WeakPolarHBondContact O-CB 3.32Å; P236-K239 PolarHBondContact O-N 3.1Å
237Y56.2Low69.1Low195 Ų19561.8 Ų61.877%0.76531%0.307SS*.G310 helixtrans-66-20.7177.6-60.6-73000114L235L235-Y237 PolarHBondContact O-N 2.83Å
238S66.4Low70.5Confident0 Ų059.1 Ų59.10%030%0.296CS..G310 helixtrans-89.4-5.7179.473.80000113.2A232 G233 L235 P236 E240 R241 N242A232-S238 WeakPolarHBondContact O-CB 3.44Å; A232-S238 PolarHBondContact O-OG 2.85Å; G233-S238 WeakPolarHBondContact CA-OG 3.2Å; G233-S238 PolarHBondContact O-OG 3.11Å; L235-S238 PolarHBondContact O-N 3.06Å; L235-S238 PolarHBondContact O-OG 2.85Å; P236-S238 PolarHBondContact O-N 3.09Å; S238-E240 PolarHBondContact O-N 2.79Å; S238-R241 WeakPolarHBondContact O-CB 3.34Å; S238-R241 PolarHBondContact O-N 3.32Å; S238-N242 PolarHBondContact O-N 3.41Å; S238-N242 PolarHBondContact O-ND2 3.47Å; S238-N242 PolarHBondContact OG-ND2 2.69Å
239K73.1Confident71.7Confident139 Ų13961.3 Ų61.360%0.60431%0.307SS*.Hα-helixtrans-56.2-51.3-168.5-173.7-178.4177.6-174.60112.5P236 R241 N242 M243P236-K239 WeakPolarHBondContact O-CB 3.32Å; P236-K239 PolarHBondContact O-N 3.1Å; K239-R241 PolarHBondContact O-N 3.26Å; K239-N242 PolarHBondContact O-N 3.41Å; K239-M243 HydrophobicContact CG-SD 4.22Å; K239-M243 VanDerWaalsContact O-CG 3.32Å; K239-M243 WeakPolarHBondContact O-CG 3.46Å; K239-M243 PolarHBondContact O-N 3.15Å
240E74.1Confident72.9Confident92 Ų9260 Ų6043%0.4330%0.301SS..Hα-helixtrans-63.5-42.3-179.8-65.7-179.1172.800111.9Y116 S238 N242 M243 A244Y116-E240 HydrophobicContact CE1-CB 4.36Å; Y116-E240 HydrophobicContact CE1-CG 4.48Å; S238-E240 PolarHBondContact O-N 2.79Å; E240-N242 PolarHBondContact O-N 3.3Å; E240-M243 PolarHBondContact O-N 3.36Å; E240-A244 WeakPolarHBondContact O-CB 3.38Å; E240-A244 PolarHBondContact O-N 3.11Å
241R82.4Confident74.2Confident40 Ų4058.8 Ų58.815%0.15129%0.293CS..Hα-helixtrans-58-47173.3176.9-177.9-176.2-74.3-6.8111.5S238 K239 M243 A244 L245 Y254 V324S238-R241 WeakPolarHBondContact O-CB 3.34Å; S238-R241 PolarHBondContact O-N 3.32Å; K239-R241 PolarHBondContact O-N 3.26Å; R241-M243 VanDerWaalsContact C-N 3.33Å; R241-M243 PolarHBondContact O-N 3.34Å; R241-A244 PolarHBondContact O-N 2.88Å; R241-L245 HydrophobicContact CG-CD1 3.87Å; R241-L245 HydrophobicContact CG-CG 4.41Å; R241-L245 VanDerWaalsContact NH2-CD1 3.3Å; R241-L245 WeakPolarHBondContact O-CB 3.41Å; R241-L245 WeakPolarHBondContact O-CG 3.42Å; R241-L245 PolarHBondContact O-N 2.74Å; R241-Y254 PolarHBondContact NH2-OH 3.32Å; R241-V324 WeakPolarHBondContact CD-O 3.35Å; R241-V324 HydrophobicContact CG-CG1 4.36Å; R241-V324 WeakPolarHBondContact CG-O 3.47Å; R241-V324 PolarHBondContact NE-O 3.48Å
242N81.8Confident75.1Confident32 Ų3263.5 Ų63.517%0.17131%0.314CS..Hα-helixtrans-65.3-38.8-179.8-61.6-35.5000111.6G233 S238 K239 E240 L245 N246G233-N242 WeakPolarHBondContact CA-ND2 3.32Å; G233-N242 PolarHBondContact O-ND2 3.23Å; G233-N242 VanDerWaalsContact O-ND2 3.15Å; S238-N242 PolarHBondContact O-N 3.41Å; S238-N242 PolarHBondContact O-ND2 3.47Å; S238-N242 PolarHBondContact OG-ND2 2.69Å; K239-N242 PolarHBondContact O-N 3.41Å; E240-N242 PolarHBondContact O-N 3.3Å; N242-L245 PolarHBondContact O-N 2.97Å; N242-N246 WeakPolarHBondContact O-CA 3.41Å; N242-N246 VanDerWaalsContact O-CB 3.29Å; N242-N246 WeakPolarHBondContact O-CB 3.38Å; N242-N246 PolarHBondContact O-N 3.36Å; N242-N246 PolarHBondContact O-ND2 3.48Å
243M84.5Confident76Confident64 Ų6462.5 Ų62.532%0.31531%0.306SS..Hα-helixtrans-65.6-40.1176.4-68.317976.900111.4Y116 K239 E240 R241 V247Y116-M243 WeakPolarHBondContact CB-O 3.44Å; Y116-M243 HydrophobicContact CD1-CB 3.77Å; Y116-M243 HydrophobicContact CD2-CB 4Å; Y116-M243 HydrophobicContact CD2-CE 3.48Å; Y116-M243 VanDerWaalsContact CD2-CE 3.48Å; Y116-M243 HydrophobicContact CD2-SD 4.26Å; Y116-M243 HydrophobicContact CE1-CB 4.29Å; Y116-M243 HydrophobicContact CE2-CB 4.46Å; Y116-M243 HydrophobicContact CE2-CE 3.43Å; Y116-M243 VanDerWaalsContact CE2-CE 3.43Å; Y116-M243 HydrophobicContact CE2-SD 3.94Å; Y116-M243 HydrophobicContact CG-CB 3.62Å; Y116-M243 HydrophobicContact CG-CE 4.32Å; K239-M243 HydrophobicContact CG-SD 4.22Å; K239-M243 VanDerWaalsContact O-CG 3.32Å; K239-M243 WeakPolarHBondContact O-CG 3.46Å; K239-M243 PolarHBondContact O-N 3.15Å; E240-M243 PolarHBondContact O-N 3.36Å; R241-M243 VanDerWaalsContact C-N 3.33Å; R241-M243 PolarHBondContact O-N 3.34Å; M243-V247 VanDerWaalsContact O-CG2 3.28Å; M243-V247 WeakPolarHBondContact O-CG2 3.21Å
244A85.5Confident76.5Confident0 Ų063.2 Ų63.20%029%0.294CS..Hα-helixtrans-69-34.1177.700000113.4Y116 E240 R241 V324Y116-A244 HydrophobicContact CD1-CB 4.48Å; E240-A244 WeakPolarHBondContact O-CB 3.38Å; E240-A244 PolarHBondContact O-N 3.11Å; R241-A244 PolarHBondContact O-N 2.88Å; A244-V324 HydrophobicContact CB-CB 4.47Å; A244-V324 HydrophobicContact CB-CG1 3.84Å; A244-V324 HydrophobicContact CB-CG2 3.71Å
245L83.6Confident76.8Confident9 Ų961.6 Ų61.65%0.04729%0.288CS..Hα-helixtrans-88.9-25.1-179.8-63.4-179.6000113.9L153 H154 R241 N242 L253 V324L153-L245 HydrophobicContact CD2-CD2 3.69Å; H154-L245 PolarHBondContact CD2-O 3.22Å; H154-L245 PolarHBondContact NE2-O 2.99Å; R241-L245 HydrophobicContact CG-CD1 3.87Å; R241-L245 HydrophobicContact CG-CG 4.41Å; R241-L245 VanDerWaalsContact NH2-CD1 3.3Å; R241-L245 WeakPolarHBondContact O-CB 3.41Å; R241-L245 WeakPolarHBondContact O-CG 3.42Å; R241-L245 PolarHBondContact O-N 2.74Å; N242-L245 PolarHBondContact O-N 2.97Å; L245-L253 HydrophobicContact CB-CD2 4.48Å; L245-L253 HydrophobicContact CD2-CD2 4.11Å; L245-V324 HydrophobicContact CD2-CG1 4.35Å; L245-V324 HydrophobicContact CG-CG1 4.4Å
246N84Confident77.1Confident67 Ų6760.6 Ų60.636%0.35828%0.283SS..  trans-120.460.9179.9-50.3-72.9000109.8N242 F248N242-N246 WeakPolarHBondContact O-CA 3.41Å; N242-N246 VanDerWaalsContact O-CB 3.29Å; N242-N246 WeakPolarHBondContact O-CB 3.38Å; N242-N246 PolarHBondContact O-N 3.36Å; N242-N246 PolarHBondContact O-ND2 3.48Å; N246-F248 VanDerWaalsContact C-N 3.25Å
247V87.2Confident77.9Confident10 Ų1061.1 Ų61.16%0.06127%0.272CS..  trans-69.2-27.6176.1169.50000111.7F117 A121 H154 M243F117-V247 HydrophobicContact CD2-CG1 3.57Å; F117-V247 HydrophobicContact CE2-CG1 4.02Å; A121-V247 HydrophobicContact CB-CG1 4.07Å; A121-V247 WeakPolarHBondContact CB-O 3.42Å; A121-V247 PolarHBondContact N-O 2.97Å; H154-V247 HydrophobicContact CB-CB 3.85Å; H154-V247 HydrophobicContact CB-CG1 4.3Å; H154-V247 HydrophobicContact CB-CG2 3.94Å; M243-V247 VanDerWaalsContact O-CG2 3.28Å; M243-V247 WeakPolarHBondContact O-CG2 3.21Å
248F89Confident79.2Confident6 Ų655.4 Ų55.43%0.02626%0.255CS..BIsolated β-bridgetrans-101.7133.4-177.1-58-64.5000111.2A121 L123 H154 L158 N246 Y251 L266A121-F248 HydrophobicContact CB-CD1 3.91Å; A121-F248 HydrophobicContact CB-CE1 4.24Å; A121-F248 VanDerWaalsContact O-CA 3.3Å; A121-F248 WeakPolarHBondContact O-CA 3.09Å; L123-F248 HydrophobicContact CB-CB 4.39Å; L123-F248 HydrophobicContact CB-CD1 3.93Å; L123-F248 HydrophobicContact CB-CD2 4.34Å; L123-F248 HydrophobicContact CB-CE1 4.26Å; L123-F248 HydrophobicContact CB-CG 3.98Å; L123-F248 HydrophobicContact CD1-CE1 4.16Å; L123-F248 HydrophobicContact CD1-CE2 4.09Å; L123-F248 HydrophobicContact CD1-CZ 3.88Å; H154-F248 HydrophobicContact CB-CD2 4.49Å; H154-F248 HydrophobicContact CB-CE2 3.77Å; H154-F248 HydrophobicContact CB-CZ 4.19Å; H154-F248 AromaticContact CG-CE2 3.57Å; H154-F248 AromaticContact ND1-CE2 3.62Å; L158-F248 HydrophobicContact CD1-CE1 3.88Å; L158-F248 HydrophobicContact CD1-CZ 3.99Å; L158-F248 HydrophobicContact CD2-CE1 4.41Å; L158-F248 HydrophobicContact CD2-CZ 3.92Å; L158-F248 HydrophobicContact CG-CZ 4.19Å; N246-F248 VanDerWaalsContact C-N 3.25Å; F248-Y251 HydrophobicContact CB-CD1 4.47Å; F248-Y251 AromaticContact CD2-CD1 3.87Å; F248-Y251 HydrophobicContact CD2-CD1 3.87Å; F248-Y251 HydrophobicContact CD2-CG 4.38Å; F248-L266 HydrophobicContact CE2-CD1 4.16Å; F248-L266 HydrophobicContact CE2-CD2 3.81Å; F248-L266 HydrophobicContact CZ-CD1 4.18Å
249D87Confident80.1Confident104 Ų10457.7 Ų57.756%0.55627%0.27SS*.THydrogen-bonded Turntrans-75.1-30.5177.7-72.4-3.7000113.3H120 A121H120-D249 WeakPolarHBondContact CB-OD2 3.37Å; H120-D249 IonicContact CD2-OD2 3.24Å; H120-D249 IonicContact CE1-OD1 2.69Å; H120-D249 IonicContact CE1-OD2 3.48Å; H120-D249 IonicContact CG-OD1 3.77Å; H120-D249 IonicContact CG-OD2 3.26Å; H120-D249 IonicContact ND1-OD1 3.72Å; H120-D249 PolarHBondContact ND1-OD1 3.38Å; H120-D249 IonicContact ND1-OD2 3.93Å; H120-D249 PolarHBondContact ND1-OD2 3.17Å; A121-D249 PolarHBondContact O-N 3.11Å
250D88.1Confident80.9Confident55 Ų5554.6 Ų54.629%0.29426%0.26SS..THydrogen-bonded Turntrans-94.85-175.659.7-12000112.7S122 L123 A124 L261S122-D250 WeakPolarHBondContact CA-OD1 3.16Å; S122-D250 PolarHBondContact OG-OD2 3.14Å; L123-D250 PolarHBondContact N-OD1 2.84Å; L123-D250 PolarHBondContact N-OD2 2.77Å; A124-D250 WeakPolarHBondContact CB-OD2 3.13Å; A124-D250 PolarHBondContact N-OD2 2.97Å; D250-L261 WeakPolarHBondContact O-CD1 3.12Å
251Y85.1Confident81.6Confident5 Ų551 Ų512%0.0224%0.244CC..  trans-142.6123.3-174.3170.5-86.4000112.4L123 H154 F248 L253 N256 L261 L266 S269 H270L123-Y251 HydrophobicContact CD2-CD2 3.55Å; L123-Y251 HydrophobicContact CD2-CE2 4.15Å; L123-Y251 HydrophobicContact CD2-CG 3.81Å; H154-Y251 AromaticContact CE1-CE1 3.85Å; H154-Y251 AromaticContact NE2-CE1 3.9Å; F248-Y251 HydrophobicContact CB-CD1 4.47Å; F248-Y251 AromaticContact CD2-CD1 3.87Å; F248-Y251 HydrophobicContact CD2-CD1 3.87Å; F248-Y251 HydrophobicContact CD2-CG 4.38Å; Y251-L253 HydrophobicContact CE1-CB 4.23Å; Y251-L253 HydrophobicContact CE1-CD1 4.32Å; Y251-N256 HydrophobicContact CD2-CB 4.02Å; Y251-N256 HydrophobicContact CE2-CB 3.6Å; Y251-N256 WeakPolarHBondContact CE2-ND2 3.2Å; Y251-L261 HydrophobicContact CD2-CB 4.46Å; Y251-L261 HydrophobicContact CD2-CD1 4.38Å; Y251-L266 HydrophobicContact CE1-CD2 4.4Å; Y251-S269 WeakPolarHBondContact OH-CB 3.26Å; Y251-S269 PolarHBondContact OH-OG 2.75Å; Y251-H270 AromaticContact CE2-CE1 3.76Å; Y251-H270 AromaticContact CE2-NE2 3.21Å; Y251-H270 WeakPolarHBondContact CE2-NE2 3.47Å; Y251-H270 AromaticContact CZ-NE2 3.6Å; Y251-H270 PolarHBondContact OH-NE2 2.89Å
252E79.9Confident82Confident116 Ų11649.4 Ų49.454%0.54224%0.238SC..  trans-104.7120.3173.4-66.9-172174.600111.2Y254 Y255 N256E252-Y254 VanDerWaalsContact C-N 3.26Å; E252-Y254 PolarHBondContact O-N 2.74Å; E252-Y255 PolarHBondContact O-N 3.23Å; E252-Y255 WeakPolarHBondContact OE2-CD2 3.27Å; E252-N256 WeakPolarHBondContact O-CB 3.38Å; E252-N256 PolarHBondContact O-N 3.06Å; E252-N256 VanDerWaalsContact O-N 3.13Å
253L77.4Confident82.5Confident1 Ų151.6 Ų51.61%0.00525%0.247CC..THydrogen-bonded Turntrans-56.8-36.5-177-178.962.1000113.8F64 L153 L245 Y251 I354F64-L253 HydrophobicContact CD1-CD1 4.22Å; F64-L253 WeakPolarHBondContact CE1-O 3.46Å; L153-L253 HydrophobicContact CD2-CD2 3.7Å; L245-L253 HydrophobicContact CB-CD2 4.48Å; L245-L253 HydrophobicContact CD2-CD2 4.11Å; Y251-L253 HydrophobicContact CE1-CB 4.23Å; Y251-L253 HydrophobicContact CE1-CD1 4.32Å; L253-I354 HydrophobicContact CD2-CD1 3.85Å; L253-I354 HydrophobicContact CG-CD1 4.06Å
254Y67.9Low83Confident64 Ų6448.7 Ų48.725%0.25123%0.233SC..THydrogen-bonded Turntrans-88.5-21.4-174.2-66.9-74.3000114.5H207 R241 E252 I354H207-Y254 PolarHBondContact CD2-O 3.47Å; H207-Y254 PolarHBondContact CE1-O 3.36Å; H207-Y254 PolarHBondContact NE2-O 2.75Å; H207-Y254 VanDerWaalsContact NE2-O 3.15Å; R241-Y254 PolarHBondContact NH2-OH 3.32Å; E252-Y254 VanDerWaalsContact C-N 3.26Å; E252-Y254 PolarHBondContact O-N 2.74Å; Y254-I354 HydrophobicContact CD1-CD1 4.3Å; Y254-I354 HydrophobicContact CD1-CG2 3.92Å; Y254-I354 HydrophobicContact CE1-CB 4.32Å; Y254-I354 HydrophobicContact CE1-CD1 3.77Å; Y254-I354 HydrophobicContact CE1-CG1 3.79Å; Y254-I354 HydrophobicContact CE1-CG2 3.82Å
255Y64.3Low83.5Confident159 Ų15951.2 Ų51.262%0.62425%0.249SC*.THydrogen-bonded Turntrans-125.915.9-171.2-61.9-66000113.4E252 W257E252-Y255 PolarHBondContact O-N 3.23Å; E252-Y255 WeakPolarHBondContact OE2-CD2 3.27Å; Y255-W257 PolarHBondContact O-N 2.88Å
256N66.8Low84Confident13 Ų1351.1 Ų51.17%0.0725%0.249CC..  trans-7694-179.9-172.634.8000112.9Y251 E252 N258 L262Y251-N256 HydrophobicContact CD2-CB 4.02Å; Y251-N256 HydrophobicContact CE2-CB 3.6Å; Y251-N256 WeakPolarHBondContact CE2-ND2 3.2Å; E252-N256 WeakPolarHBondContact O-CB 3.38Å; E252-N256 PolarHBondContact O-N 3.06Å; E252-N256 VanDerWaalsContact O-N 3.13Å; N256-N258 PolarHBondContact OD1-N 2.85Å; N256-L262 WeakPolarHBondContact ND2-CD2 3.4Å; N256-L262 WeakPolarHBondContact ND2-CG 3.31Å
257W71.6Confident84.6Confident113 Ų11348.1 Ų48.143%0.42823%0.233SC..  trans-108.99.3164.5-77.990.3000112.9R204 T205 Y255 P259R204-W257 HydrophobicContact CB-CH2 4.44Å; R204-W257 HydrophobicContact CG-CH2 4.43Å; R204-W257 HydrophobicContact CG-CZ2 4.23Å; T205-W257 HydrophobicContact CG2-CZ2 4.36Å; T205-W257 WeakPolarHBondContact OG1-CZ2 3.48Å; Y255-W257 PolarHBondContact O-N 2.88Å; W257-P259 WeakPolarHBondContact O-CD 3.4Å
258N83.5Confident84.9Confident74 Ų7447.6 Ų47.640%0.39623%0.23SC..  trans-70.7114.3177.3-174.8-14.3000109.2N256 D260 L261 L262N256-N258 PolarHBondContact OD1-N 2.85Å; N258-D260 PolarHBondContact O-N 2.82Å; N258-D260 PolarHBondContact OD1-N 2.99Å; N258-L261 HydrophobicContact CB-CB 4.29Å; N258-L261 HydrophobicContact CB-CD1 4.09Å; N258-L261 HydrophobicContact CB-CG 4.16Å; N258-L261 PolarHBondContact O-N 3.17Å; N258-L261 VanDerWaalsContact O-N 3.11Å; N258-L262 WeakPolarHBondContact O-CG 3.31Å; N258-L262 PolarHBondContact O-N 3.09Å
259P86.2Confident85.1Confident48 Ų4847.3 Ų47.331%0.31223%0.229SC..Hα-helixtrans-56.5-35.4-178.9-24.736.1000112.9W257 L261 L262 E263W257-P259 WeakPolarHBondContact O-CD 3.4Å; P259-L261 VanDerWaalsContact C-N 3.29Å; P259-L261 PolarHBondContact O-N 2.97Å; P259-L262 PolarHBondContact O-N 3.28Å; P259-E263 WeakPolarHBondContact O-CG 3.27Å; P259-E263 PolarHBondContact O-N 2.99Å
260D88.1Confident85.5Confident74 Ų7442.4 Ų42.440%0.39620%0.202SC..Hα-helixtrans-68.1-29.6-177.8-64.6-26.2000112.7R196 N258R196-D260 IonicContact CZ-OD1 3.57Å; R196-D260 IonicContact NH2-OD1 2.9Å; R196-D260 PolarHBondContact NH2-OD1 3.09Å; N258-D260 PolarHBondContact O-N 2.82Å; N258-D260 PolarHBondContact OD1-N 2.99Å
261L89.3Confident85.9Confident18 Ų1839.8 Ų39.89%0.09419%0.188CC..Hα-helixtrans-85.6-37.2175.5-62.8178.8000111.4D250 Y251 N258 P259 E263 I264 H270D250-L261 WeakPolarHBondContact O-CD1 3.12Å; Y251-L261 HydrophobicContact CD2-CB 4.46Å; Y251-L261 HydrophobicContact CD2-CD1 4.38Å; N258-L261 HydrophobicContact CB-CB 4.29Å; N258-L261 HydrophobicContact CB-CD1 4.09Å; N258-L261 HydrophobicContact CB-CG 4.16Å; N258-L261 PolarHBondContact O-N 3.17Å; N258-L261 VanDerWaalsContact O-N 3.11Å; P259-L261 VanDerWaalsContact C-N 3.29Å; P259-L261 PolarHBondContact O-N 2.97Å; L261-E263 PolarHBondContact O-N 3.32Å; L261-I264 HydrophobicContact CD2-CD1 3.96Å; L261-I264 VanDerWaalsContact O-CB 3.26Å; L261-I264 WeakPolarHBondContact O-CB 3.47Å; L261-I264 WeakPolarHBondContact O-CG1 3.36Å; L261-I264 PolarHBondContact O-N 2.84Å; L261-H270 PolarHBondContact O-CE1 3.49Å; L261-H270 PolarHBondContact O-ND1 3.03Å
262L90.9Very high86.5Confident5 Ų539.6 Ų39.63%0.02619%0.188CC..Hα-helixtrans-66.9-24.1177.8-73179000113.1G193 I194 N256 N258 P259 I264 F272G193-L262 CarbonylContact C-O 3.13Å; G193-L262 VanDerWaalsContact CA-O 3.24Å; G193-L262 WeakPolarHBondContact CA-O 3.13Å; I194-L262 HydrophobicContact CG2-CB 3.69Å; I194-L262 PolarHBondContact N-O 2.71Å; N256-L262 WeakPolarHBondContact ND2-CD2 3.4Å; N256-L262 WeakPolarHBondContact ND2-CG 3.31Å; N258-L262 WeakPolarHBondContact O-CG 3.31Å; N258-L262 PolarHBondContact O-N 3.09Å; P259-L262 PolarHBondContact O-N 3.28Å; L262-I264 VanDerWaalsContact C-N 3.25Å; L262-I264 PolarHBondContact O-N 2.75Å; L262-F272 HydrophobicContact CD2-CZ 4.2Å
263E93.6Very high87.3Confident78 Ų7834.1 Ų34.136%0.36416%0.162SC..THydrogen-bonded Turntrans-68.6-22.3170.2-80179.3-148.400113.2I194 R196 P259 L261I194-E263 WeakPolarHBondContact O-CG 3.48Å; R196-E263 WeakPolarHBondContact CG-OE1 3.45Å; R196-E263 IonicContact NE-OE1 3.99Å; R196-E263 PolarHBondContact NE-OE1 3.28Å; R196-E263 VanDerWaalsContact NE-OE1 3.15Å; P259-E263 WeakPolarHBondContact O-CG 3.27Å; P259-E263 PolarHBondContact O-N 2.99Å; L261-E263 PolarHBondContact O-N 3.32Å
264I94.4Very high88.3Confident3 Ų334.5 Ų34.52%0.01516%0.164CC..SBendtrans-68.7126.5-179.4-55.6-178.5000108.5L123 R127 L261 L262 L266 H270L123-I264 HydrophobicContact CD1-CG2 3.88Å; L123-I264 HydrophobicContact CD2-CD1 4.2Å; L123-I264 HydrophobicContact CG-CB 4.44Å; L123-I264 HydrophobicContact CG-CD1 3.79Å; L123-I264 HydrophobicContact CG-CG2 4.11Å; R127-I264 HydrophobicContact CB-CD1 4.03Å; R127-I264 HydrophobicContact CB-CG1 4.3Å; R127-I264 HydrophobicContact CB-CG2 4.22Å; R127-I264 HydrophobicContact CG-CG1 4.39Å; L261-I264 HydrophobicContact CD2-CD1 3.96Å; L261-I264 VanDerWaalsContact O-CB 3.26Å; L261-I264 WeakPolarHBondContact O-CB 3.47Å; L261-I264 WeakPolarHBondContact O-CG1 3.36Å; L261-I264 PolarHBondContact O-N 2.84Å; L262-I264 VanDerWaalsContact C-N 3.25Å; L262-I264 PolarHBondContact O-N 2.75Å; I264-L266 PolarHBondContact O-N 2.87Å; I264-H270 PolarHBondContact O-ND1 2.9Å
265P94.8Very high89.7Confident54 Ų5431.4 Ų31.435%0.35115%0.152SC..  trans-79.365.9-173.233.7-38.3000112.3A175 I192 V267A175-P265 HydrophobicContact CB-CB 3.61Å; A175-P265 HydrophobicContact CB-CG 4.42Å; I192-P265 HydrophobicContact CG2-CB 4.07Å; I192-P265 WeakPolarHBondContact O-CB 2.99Å; P265-V267 PolarHBondContact O-N 2.89Å
266L95.1Very high91.3Very high6 Ų628 Ų283%0.03114%0.138CC..  trans-85.6104.9-178.1179.762.6000110.9L123 A157 L158 F248 Y251 I264 S268 S269 H270L123-L266 HydrophobicContact CD1-CB 4.35Å; L123-L266 HydrophobicContact CD1-CD1 4.15Å; L123-L266 HydrophobicContact CD1-CD2 3.95Å; L123-L266 HydrophobicContact CD1-CG 4.37Å; L123-L266 HydrophobicContact CD2-CD2 4.04Å; A157-L266 HydrophobicContact CB-CD1 4.37Å; L158-L266 HydrophobicContact CD2-CD1 4.3Å; F248-L266 HydrophobicContact CE2-CD1 4.16Å; F248-L266 HydrophobicContact CE2-CD2 3.81Å; F248-L266 HydrophobicContact CZ-CD1 4.18Å; Y251-L266 HydrophobicContact CE1-CD2 4.4Å; I264-L266 PolarHBondContact O-N 2.87Å; L266-S268 WeakPolarHBondContact CD1-OG 3.48Å; L266-S268 WeakPolarHBondContact CG-OG 3.09Å; L266-S268 PolarHBondContact O-N 2.95Å; L266-S268 VanDerWaalsContact O-N 3.11Å; L266-S269 WeakPolarHBondContact CD2-OG 3.41Å; L266-S269 PolarHBondContact O-N 3Å; L266-H270 HydrophobicContact CB-CB 4.4Å; L266-H270 WeakPolarHBondContact O-CB 3.36Å; L266-H270 PolarHBondContact O-N 3.07Å
267V96.4Very high92.7Very high4 Ų428.1 Ų28.12%0.02414%0.138CC..THydrogen-bonded Turntrans-67.5-13-173.4-58.40000114.9S67 M68 V70 V71 A157 L174 A175 I192 P265 S269S67-V267 CarbonylContact C-O 3.51Å; S67-V267 WeakPolarHBondContact CB-O 3.28Å; M68-V267 PolarHBondContact N-O 2.79Å; V70-V267 HydrophobicContact CB-CB 4.2Å; V70-V267 HydrophobicContact CB-CG1 4.3Å; V70-V267 HydrophobicContact CG1-CB 4.11Å; V70-V267 HydrophobicContact CG1-CG1 3.7Å; V71-V267 HydrophobicContact CG2-CG2 4.28Å; A157-V267 HydrophobicContact CB-CG2 3.47Å; A157-V267 VanDerWaalsContact CB-CG2 3.47Å; L174-V267 HydrophobicContact CD2-CB 4.38Å; L174-V267 HydrophobicContact CD2-CG1 4.04Å; L174-V267 HydrophobicContact CD2-CG2 3.69Å; L174-V267 HydrophobicContact CG-CG1 4.05Å; A175-V267 HydrophobicContact CB-CG1 4.11Å; I192-V267 HydrophobicContact CG2-CG1 4.08Å; P265-V267 PolarHBondContact O-N 2.89Å; V267-S269 VanDerWaalsContact C-N 3.34Å
268S94Very high94Very high0 Ų022.7 Ų22.70%012%0.118CC..THydrogen-bonded Turntrans-77.7-16.9175.750.80000114.3F64 M68 H154 L266F64-S268 CarbonylContact C-O 3.57Å; F64-S268 CarbonylContact O-C 3.44Å; M68-S268 VanDerWaalsContact SD-CA 3.58Å; H154-S268 PolarHBondContact CE1-OG 2.95Å; H154-S268 PolarHBondContact ND1-OG 2.98Å; L266-S268 WeakPolarHBondContact CD1-OG 3.48Å; L266-S268 WeakPolarHBondContact CG-OG 3.09Å; L266-S268 PolarHBondContact O-N 2.95Å; L266-S268 VanDerWaalsContact O-N 3.11Å
269S92.2Very high94.7Very high0 Ų019.2 Ų19.20%010%0.099CC..THydrogen-bonded Turntrans-151.6-20.7-172.754.50000116Q62 F64 S67 Y251 L266 V267Q62-S269 WeakPolarHBondContact CG-O 3.41Å; Q62-S269 PolarHBondContact NE2-O 3.15Å; F64-S269 PolarHBondContact N-O 2.84Å; F64-S269 WeakPolarHBondContact O-CA 3.37Å; S67-S269 WeakPolarHBondContact OG-CA 3.41Å; S67-S269 PolarHBondContact OG-O 3.07Å; Y251-S269 WeakPolarHBondContact OH-CB 3.26Å; Y251-S269 PolarHBondContact OH-OG 2.75Å; L266-S269 WeakPolarHBondContact CD2-OG 3.41Å; L266-S269 PolarHBondContact O-N 3Å; V267-S269 VanDerWaalsContact C-N 3.34Å
270H95.1Very high95.1Very high0 Ų021.1 Ų21.10%010%0.1CC..  trans-103.727.4-169.7-62.2177.3000113.5I192 G193 Y251 L261 I264 L266 F272I192-H270 CarbonylContact C-O 3.55Å; I192-H270 VanDerWaalsContact CA-O 3.3Å; I192-H270 WeakPolarHBondContact CA-O 3.47Å; G193-H270 PolarHBondContact N-O 2.97Å; Y251-H270 AromaticContact CE2-CE1 3.76Å; Y251-H270 AromaticContact CE2-NE2 3.21Å; Y251-H270 WeakPolarHBondContact CE2-NE2 3.47Å; Y251-H270 AromaticContact CZ-NE2 3.6Å; Y251-H270 PolarHBondContact OH-NE2 2.89Å; L261-H270 PolarHBondContact O-CE1 3.49Å; L261-H270 PolarHBondContact O-ND1 3.03Å; I264-H270 PolarHBondContact O-ND1 2.9Å; L266-H270 HydrophobicContact CB-CB 4.4Å; L266-H270 WeakPolarHBondContact O-CB 3.36Å; L266-H270 PolarHBondContact O-N 3.07Å; H270-F272 HydrophobicContact CB-CE2 4.1Å; H270-F272 WeakPolarHBondContact O-CD2 3.25Å; H270-F272 WeakPolarHBondContact O-CE2 3.22Å
271L96.9Very high95.5Very high0 Ų017.6 Ų17.60%08%0.081CC..EExtended strand (participates in β ladder)trans-79.3126.8164.5-179.162.3000108.9L63 S67 V69 V70 M190 L191 I192L63-L271 HydrophobicContact CB-CB 4.36Å; L63-L271 WeakPolarHBondContact CB-O 3.37Å; L63-L271 HydrophobicContact CD1-CD2 3.84Å; L63-L271 HydrophobicContact CD1-CG 4.06Å; L63-L271 PolarHBondContact N-O 2.95Å; S67-L271 VanDerWaalsContact CB-CB 3.45Å; S67-L271 VanDerWaalsContact OG-CB 3.28Å; S67-L271 WeakPolarHBondContact OG-CB 3.16Å; S67-L271 PolarHBondContact OG-N 2.94Å; V69-L271 HydrophobicContact CG2-CD2 3.89Å; V70-L271 HydrophobicContact CG2-CD2 4.19Å; M190-L271 HydrophobicContact CB-CD1 4.14Å; M190-L271 HydrophobicContact SD-CD1 4.49Å; L191-L271 CarbonylContact O-C 3.52Å; L191-L271 WeakPolarHBondContact O-CA 3.32Å; I192-L271 HydrophobicContact CD1-CD1 4.48Å; I192-L271 HydrophobicContact CG1-CD1 3.71Å
272F97.2Very high95.9Very high2 Ų216.8 Ų16.81%0.0098%0.077CC..EExtended strand (participates in β ladder)trans-118.2121.2175.5-63.6-100.1000109.6I60 S61 Q62 M190 L191 I194 V202 L262 H270I60-F272 HydrophobicContact CD1-CB 3.93Å; I60-F272 HydrophobicContact CG1-CB 4.36Å; S61-F272 WeakPolarHBondContact O-CA 3.44Å; Q62-F272 HydrophobicContact CB-CD1 3.95Å; Q62-F272 HydrophobicContact CB-CE1 3.5Å; Q62-F272 VanDerWaalsContact CB-CE1 3.5Å; Q62-F272 HydrophobicContact CB-CZ 3.98Å; Q62-F272 HydrophobicContact CG-CE1 3.91Å; Q62-F272 HydrophobicContact CG-CE2 4.45Å; Q62-F272 HydrophobicContact CG-CZ 3.84Å; M190-F272 WeakPolarHBondContact CA-O 3.31Å; L191-F272 HydrophobicContact CB-CB 4.37Å; L191-F272 PolarHBondContact N-O 3.26Å; L191-F272 PolarHBondContact O-N 3.46Å; I194-F272 HydrophobicContact CB-CD2 3.9Å; I194-F272 HydrophobicContact CB-CE1 4.4Å; I194-F272 HydrophobicContact CB-CE2 3.75Å; I194-F272 HydrophobicContact CB-CG 4.32Å; I194-F272 HydrophobicContact CB-CZ 4.02Å; I194-F272 HydrophobicContact CD1-CG 4.48Å; I194-F272 HydrophobicContact CG2-CD2 4.36Å; I194-F272 HydrophobicContact CG2-CE1 4.18Å; I194-F272 HydrophobicContact CG2-CE2 3.7Å; I194-F272 HydrophobicContact CG2-CZ 3.61Å; V202-F272 HydrophobicContact CG1-CD1 4.09Å; V202-F272 HydrophobicContact CG1-CE1 3.93Å; V202-F272 HydrophobicContact CG2-CD1 4.04Å; V202-F272 HydrophobicContact CG2-CE1 4.28Å; L262-F272 HydrophobicContact CD2-CZ 4.2Å; H270-F272 HydrophobicContact CB-CE2 4.1Å; H270-F272 WeakPolarHBondContact O-CD2 3.25Å; H270-F272 WeakPolarHBondContact O-CE2 3.22Å
273T98Very high95.9Very high0 Ų018.1 Ų18.10%09%0.085CC..EExtended strand (participates in β ladder)trans-164-169.9175.7-168.20000110.4I60 S61 L63 D189 M190 N277 L278I60-T273 CarbonylContact C-O 3.49Å; I60-T273 WeakPolarHBondContact CA-O 3.37Å; S61-T273 PolarHBondContact N-O 2.87Å; S61-T273 PolarHBondContact O-N 2.88Å; L63-T273 HydrophobicContact CD1-CG2 3.52Å; L63-T273 HydrophobicContact CG-CG2 4.21Å; D189-T273 PolarHBondContact O-OG1 3.39Å; M190-T273 HydrophobicContact CE-CG2 4.37Å; M190-T273 HydrophobicContact CG-CG2 4.37Å; T273-N277 VanDerWaalsContact OG1-CB 3.28Å; T273-N277 WeakPolarHBondContact OG1-CB 3.2Å; T273-L278 HydrophobicContact CG2-CB 4.18Å
274N97.4Very high95.9Very high9 Ų914.8 Ų14.85%0.0487%0.07CC..  trans-120169.817562.132.9000111.2T57 T59 R276 N277 L278T57-N274 PolarHBondContact O-ND2 3.35Å; T59-N274 WeakPolarHBondContact O-CB 2.99Å; N274-R276 VanDerWaalsContact C-N 3.27Å; N274-R276 PolarHBondContact O-N 2.8Å; N274-R276 PolarHBondContact OD1-N 2.75Å; N274-N277 PolarHBondContact ND2-ND2 3.38Å; N274-N277 PolarHBondContact O-N 2.86Å; N274-N277 PolarHBondContact OD1-N 3.13Å; N274-N277 PolarHBondContact OD1-ND2 2.88Å; N274-L278 WeakPolarHBondContact O-CB 3.37Å; N274-L278 PolarHBondContact O-N 2.95Å
275A97.9Very high95.9Very high0 Ų014.7 Ų14.70%07%0.07CC..Hα-helixtrans-57.7-38.7-178.300000112.8S29 L278 A279 A370 V372S29-A275 WeakPolarHBondContact O-CB 3.35Å; S29-A275 VanDerWaalsContact OG-CB 3.29Å; S29-A275 WeakPolarHBondContact OG-CB 3.29Å; S29-A275 PolarHBondContact OG-N 2.51Å; S29-A275 VanDerWaalsContact OG-N 3.1Å; A275-L278 PolarHBondContact O-N 3.15Å; A275-A279 WeakPolarHBondContact O-CB 3.46Å; A275-A279 PolarHBondContact O-N 2.73Å; A275-A370 HydrophobicContact CB-CB 4.21Å; A275-A370 WeakPolarHBondContact CB-O 3.44Å; A275-A370 VanDerWaalsContact O-CB 3.3Å; A275-A370 WeakPolarHBondContact O-CB 3.06Å; A275-V372 HydrophobicContact CB-CB 4.29Å; A275-V372 HydrophobicContact CB-CG2 4.13Å
276R97.1Very high95.5Very high88 Ų8812.3 Ų12.333%0.3325%0.054SC..Hα-helixtrans-57.7-54.3180-177.9-168.1-63173.5-1.8111.9D41 N274 L278 R280D41-R276 IonicContact OD1-CZ 2.68Å; D41-R276 IonicContact OD1-NE 2.58Å; D41-R276 PolarHBondContact OD1-NE 2.98Å; D41-R276 IonicContact OD1-NH2 2.65Å; D41-R276 IonicContact OD2-CZ 3.23Å; D41-R276 IonicContact OD2-NE 2.82Å; D41-R276 PolarHBondContact OD2-NE 2.9Å; D41-R276 IonicContact OD2-NH2 2.73Å; D41-R276 PolarHBondContact OD2-NH2 3.22Å; N274-R276 VanDerWaalsContact C-N 3.27Å; N274-R276 PolarHBondContact O-N 2.8Å; N274-R276 PolarHBondContact OD1-N 2.75Å; R276-L278 VanDerWaalsContact C-N 3.33Å; R276-R280 VanDerWaalsContact O-CB 3.29Å; R276-R280 WeakPolarHBondContact O-CB 3.2Å; R276-R280 PolarHBondContact O-N 2.78Å
277N97.6Very high94.6Very high14 Ų1414.2 Ų14.28%0.0756%0.064CC..Hα-helixtrans-69.6-34.6-178.2-71.8-75.8000111.6L188 D189 M190 T273 N274 R280 L281L188-N277 HydrophobicContact CD2-CB 4.46Å; D189-N277 PolarHBondContact N-OD1 3.06Å; M190-N277 HydrophobicContact CE-CB 4.14Å; M190-N277 VanDerWaalsContact CE-O 3.22Å; M190-N277 WeakPolarHBondContact CE-O 3.49Å; T273-N277 VanDerWaalsContact OG1-CB 3.28Å; T273-N277 WeakPolarHBondContact OG1-CB 3.2Å; N274-N277 PolarHBondContact ND2-ND2 3.38Å; N274-N277 PolarHBondContact O-N 2.86Å; N274-N277 PolarHBondContact OD1-N 3.13Å; N274-N277 PolarHBondContact OD1-ND2 2.88Å; N277-R280 PolarHBondContact O-N 3.28Å; N277-L281 PolarHBondContact O-N 2.92Å
278L98Very high93Very high0 Ų016.1 Ų16.10%08%0.077CC..Hα-helixtrans-65.8-45.4176.4-172.563000112.2L63 V66 V69 T273 N274 A275 R276 L281 V359 A370 V372L63-L278 HydrophobicContact CD1-CD1 3.91Å; L63-L278 HydrophobicContact CD1-CD2 3.81Å; L63-L278 HydrophobicContact CD1-CG 4.39Å; V66-L278 HydrophobicContact CG1-CD1 4.46Å; V66-L278 HydrophobicContact CG1-CD2 3.99Å; V69-L278 HydrophobicContact CG2-CD1 4.33Å; T273-L278 HydrophobicContact CG2-CB 4.18Å; N274-L278 WeakPolarHBondContact O-CB 3.37Å; N274-L278 PolarHBondContact O-N 2.95Å; A275-L278 PolarHBondContact O-N 3.15Å; R276-L278 VanDerWaalsContact C-N 3.33Å; L278-L281 WeakPolarHBondContact O-CB 3.11Å; L278-L281 PolarHBondContact O-N 2.89Å; L278-V359 HydrophobicContact CD1-CB 4.41Å; L278-V359 HydrophobicContact CD1-CG1 3.9Å; L278-V359 HydrophobicContact CD2-CB 3.75Å; L278-V359 HydrophobicContact CD2-CG1 3.83Å; L278-V359 HydrophobicContact CG-CB 3.71Å; L278-V359 HydrophobicContact CG-CG1 3.74Å; L278-V359 HydrophobicContact CG-CG2 4.07Å; L278-A370 HydrophobicContact CB-CB 4.1Å; L278-A370 HydrophobicContact CD2-CB 4.2Å; L278-A370 HydrophobicContact CG-CB 4.21Å; L278-V372 HydrophobicContact CD2-CG2 4.01Å
279A97.8Very high91.4Very high0 Ų021.1 Ų21.10%010%0.104CC..Hα-helixtrans-63.4-42.9173.900000111.1Y33 A275 L281 F282 T283 T368 A370Y33-A279 HydrophobicContact CD2-CB 3.77Å; Y33-A279 HydrophobicContact CE2-CB 3.98Å; A275-A279 WeakPolarHBondContact O-CB 3.46Å; A275-A279 PolarHBondContact O-N 2.73Å; A279-L281 VanDerWaalsContact C-N 3.27Å; A279-L281 PolarHBondContact O-N 2.83Å; A279-F282 PolarHBondContact O-N 3Å; A279-T283 PolarHBondContact O-N 3.39Å; A279-T368 HydrophobicContact CB-CG2 4.18Å; A279-T368 WeakPolarHBondContact O-CG2 3.35Å; A279-A370 HydrophobicContact CB-CB 3.68Å
280R95.5Very high89.4Confident89 Ų8927.3 Ų27.334%0.33613%0.131SC..Hα-helixtrans-62.5-30.1178.4-169.6175.8174.3-137.5-7.8113.4Y33 L186 G187 L188 R276 N277 F282 T283Y33-R280 HydrophobicContact CE2-CB 4.17Å; L186-R280 PolarHBondContact O-NH1 2.98Å; L186-R280 PolarHBondContact O-NH2 3Å; G187-R280 PolarHBondContact O-NH1 3.36Å; L188-R280 HydrophobicContact CD2-CB 3.89Å; L188-R280 HydrophobicContact CD2-CG 3.84Å; R276-R280 VanDerWaalsContact O-CB 3.29Å; R276-R280 WeakPolarHBondContact O-CB 3.2Å; R276-R280 PolarHBondContact O-N 2.78Å; N277-R280 PolarHBondContact O-N 3.28Å; R280-F282 VanDerWaalsContact C-N 3.31Å; R280-T283 PolarHBondContact O-N 2.93Å; R280-T283 PolarHBondContact O-OG1 3.24Å
281L96.3Very high87.3Confident0 Ų029.3 Ų29.30%014%0.141CC..Hα-helixtrans-61.9-41.8171175.964.9000111.5V69 F73 F178 I182 L188 M190 N277 L278 A279 T283 L284V69-L281 HydrophobicContact CG2-CD2 4.21Å; F73-L281 HydrophobicContact CD1-CD1 4.13Å; F73-L281 HydrophobicContact CD1-CG 4.49Å; F73-L281 HydrophobicContact CD2-CD1 4.21Å; F73-L281 HydrophobicContact CD2-CD2 3.72Å; F73-L281 HydrophobicContact CD2-CG 3.93Å; F73-L281 HydrophobicContact CE1-CD1 4.21Å; F73-L281 HydrophobicContact CE1-CG 4.26Å; F73-L281 HydrophobicContact CE2-CD1 4.31Å; F73-L281 HydrophobicContact CE2-CD2 3.75Å; F73-L281 HydrophobicContact CE2-CG 3.67Å; F73-L281 HydrophobicContact CG-CD1 4.14Å; F73-L281 HydrophobicContact CG-CD2 4.42Å; F73-L281 HydrophobicContact CG-CG 4.36Å; F73-L281 HydrophobicContact CZ-CD1 4.31Å; F73-L281 HydrophobicContact CZ-CD2 4.44Å; F73-L281 HydrophobicContact CZ-CG 3.86Å; F178-L281 HydrophobicContact CE2-CD1 4.39Å; F178-L281 HydrophobicContact CE2-CD2 4.39Å; F178-L281 HydrophobicContact CZ-CD1 4.2Å; F178-L281 HydrophobicContact CZ-CD2 3.95Å; I182-L281 HydrophobicContact CG2-CD1 3.82Å; L188-L281 HydrophobicContact CD1-CB 3.94Å; L188-L281 HydrophobicContact CD1-CD1 3.92Å; M190-L281 HydrophobicContact CE-CB 3.95Å; M190-L281 HydrophobicContact CE-CD2 4.17Å; N277-L281 PolarHBondContact O-N 2.92Å; L278-L281 WeakPolarHBondContact O-CB 3.11Å; L278-L281 PolarHBondContact O-N 2.89Å; A279-L281 VanDerWaalsContact C-N 3.27Å; A279-L281 PolarHBondContact O-N 2.83Å; L281-T283 VanDerWaalsContact C-N 3.29Å; L281-T283 PolarHBondContact O-N 3.19Å; L281-L284 HydrophobicContact CD1-CD1 4.14Å; L281-L284 WeakPolarHBondContact O-CB 3.32Å; L281-L284 WeakPolarHBondContact O-CG 3.16Å; L281-L284 PolarHBondContact O-N 3.18Å
282F96.7Very high84.8Confident0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-73.3-18.9-177.3-89.8-108.6000113.7V69 F73 A279 R280 L284 L285 F336 V359 I361 T368V69-F282 HydrophobicContact CB-CE2 4.24Å; V69-F282 HydrophobicContact CG1-CE2 3.77Å; V69-F282 HydrophobicContact CG1-CZ 3.84Å; F73-F282 AromaticContact CE2-CD2 3.94Å; F73-F282 HydrophobicContact CE2-CD2 3.94Å; F73-F282 AromaticContact CE2-CE2 3.68Å; F73-F282 HydrophobicContact CE2-CE2 3.68Å; F73-F282 HydrophobicContact CE2-CZ 4.05Å; F73-F282 HydrophobicContact CZ-CD2 4.15Å; F73-F282 HydrophobicContact CZ-CE2 4.3Å; F73-F282 HydrophobicContact CZ-CG 4.36Å; A279-F282 PolarHBondContact O-N 3Å; R280-F282 VanDerWaalsContact C-N 3.31Å; F282-L284 PolarHBondContact O-N 3.28Å; F282-L284 VanDerWaalsContact O-N 3.14Å; F282-L285 HydrophobicContact CD1-CD1 3.99Å; F282-L285 HydrophobicContact CE1-CD1 4.25Å; F282-L285 WeakPolarHBondContact O-CB 3.34Å; F282-L285 PolarHBondContact O-N 3.38Å; F282-F336 HydrophobicContact CE1-CD1 4.28Å; F282-F336 AromaticContact CE1-CE1 3.92Å; F282-F336 HydrophobicContact CE1-CE1 3.92Å; F282-F336 HydrophobicContact CE1-CZ 4.22Å; F282-F336 HydrophobicContact CZ-CD1 4.16Å; F282-F336 AromaticContact CZ-CE1 3.61Å; F282-F336 HydrophobicContact CZ-CE1 3.61Å; F282-F336 HydrophobicContact CZ-CZ 4.19Å; F282-V359 HydrophobicContact CB-CG2 4.09Å; F282-V359 HydrophobicContact CD1-CG2 4.15Å; F282-V359 HydrophobicContact CD2-CB 4.3Å; F282-V359 HydrophobicContact CD2-CG1 3.91Å; F282-V359 HydrophobicContact CD2-CG2 3.37Å; F282-V359 HydrophobicContact CE1-CG1 4.5Å; F282-V359 HydrophobicContact CE1-CG2 4.47Å; F282-V359 HydrophobicContact CE2-CB 4.2Å; F282-V359 HydrophobicContact CE2-CG1 3.34Å; F282-V359 HydrophobicContact CE2-CG2 3.74Å; F282-V359 HydrophobicContact CG-CG2 3.59Å; F282-V359 HydrophobicContact CZ-CG1 3.69Å; F282-V359 HydrophobicContact CZ-CG2 4.28Å; F282-I361 HydrophobicContact CD1-CB 4.13Å; F282-I361 HydrophobicContact CD1-CG2 3.91Å; F282-T368 HydrophobicContact CB-CG2 3.46Å; F282-T368 VanDerWaalsContact CB-CG2 3.46Å
283T92.5Very high82.1Confident33 Ų3342.1 Ų42.120%0.20221%0.214CC..G310 helixtrans-64.1-17.5173.469.70000112.8Y33 A279 R280 L281 L285 E286Y33-T283 HydrophobicContact CD1-CG2 3.78Å; Y33-T283 HydrophobicContact CD2-CG2 4.15Å; Y33-T283 HydrophobicContact CE1-CG2 4.37Å; Y33-T283 HydrophobicContact CG-CG2 3.65Å; A279-T283 PolarHBondContact O-N 3.39Å; R280-T283 PolarHBondContact O-N 2.93Å; R280-T283 PolarHBondContact O-OG1 3.24Å; L281-T283 VanDerWaalsContact C-N 3.29Å; L281-T283 PolarHBondContact O-N 3.19Å; T283-L285 PolarHBondContact O-N 3.2Å; T283-E286 VanDerWaalsContact O-CB 3.31Å; T283-E286 WeakPolarHBondContact O-CB 3.33Å; T283-E286 PolarHBondContact O-N 3.04Å
284L92.4Very high79.4Confident9 Ų943.2 Ų43.25%0.04722%0.221CC..G310 helixtrans-60.1-22.2169.4-68.9179.6000113.8F73 I182 L186 L281 F282 F304 R309F73-L284 HydrophobicContact CD1-CD1 4.27Å; F73-L284 HydrophobicContact CE1-CB 4.22Å; F73-L284 HydrophobicContact CE1-CD1 4.09Å; I182-L284 HydrophobicContact CG2-CD1 4.32Å; L186-L284 HydrophobicContact CD1-CD1 3.64Å; L186-L284 HydrophobicContact CD1-CD2 4.07Å; L186-L284 HydrophobicContact CD1-CG 4.11Å; L186-L284 HydrophobicContact CD2-CD2 4.02Å; L281-L284 HydrophobicContact CD1-CD1 4.14Å; L281-L284 WeakPolarHBondContact O-CB 3.32Å; L281-L284 WeakPolarHBondContact O-CG 3.16Å; L281-L284 PolarHBondContact O-N 3.18Å; F282-L284 PolarHBondContact O-N 3.28Å; F282-L284 VanDerWaalsContact O-N 3.14Å; L284-F304 HydrophobicContact CB-CD2 4.02Å; L284-F304 HydrophobicContact CB-CE2 4.16Å; L284-F304 HydrophobicContact CD1-CD2 4.41Å; L284-F304 HydrophobicContact CD1-CE2 3.84Å; L284-R309 WeakPolarHBondContact O-CD 3.46Å
285L94Very high76.7Confident1 Ų149.2 Ų49.21%0.00526%0.258CS..G310 helixtrans-89.1-8.2178.1-56.6178.7000112.1F73 F282 T283 F304 M312 L313 F336 I361F73-L285 HydrophobicContact CE1-CD1 4.4Å; F73-L285 HydrophobicContact CE1-CD2 4.08Å; F73-L285 HydrophobicContact CE1-CG 4.07Å; F73-L285 HydrophobicContact CZ-CD1 3.89Å; F73-L285 HydrophobicContact CZ-CD2 4.4Å; F73-L285 HydrophobicContact CZ-CG 3.99Å; F282-L285 HydrophobicContact CD1-CD1 3.99Å; F282-L285 HydrophobicContact CE1-CD1 4.25Å; F282-L285 WeakPolarHBondContact O-CB 3.34Å; F282-L285 PolarHBondContact O-N 3.38Å; T283-L285 PolarHBondContact O-N 3.2Å; L285-F304 HydrophobicContact CD2-CD2 4.5Å; L285-M312 HydrophobicContact CD2-CB 4.36Å; L285-M312 HydrophobicContact CD2-CE 3.73Å; L285-M312 HydrophobicContact CD2-SD 3.49Å; L285-M312 WeakPolarHBondContact CD2-SD 3.09Å; L285-L313 HydrophobicContact CD1-CD2 4.31Å; L285-F336 HydrophobicContact CD1-CE2 3.66Å; L285-F336 HydrophobicContact CD1-CZ 3.95Å; L285-I361 HydrophobicContact CB-CD1 3.71Å; L285-I361 HydrophobicContact CB-CG2 4.34Å; L285-I361 HydrophobicContact CD1-CG2 4.04Å
286E88Confident74.3Confident4 Ų452.4 Ų52.42%0.01928%0.278CS..SBendtrans-69152.9175.2-67.5179.4-168.400111.3G36 T283 S288 R309 I361 T368G36-E286 WeakPolarHBondContact CA-OE2 3.45Å; G36-E286 PolarHBondContact N-OE2 3.47Å; T283-E286 VanDerWaalsContact O-CB 3.31Å; T283-E286 WeakPolarHBondContact O-CB 3.33Å; T283-E286 PolarHBondContact O-N 3.04Å; E286-S288 PolarHBondContact O-N 3.48Å; E286-R309 PolarHBondContact O-NE 3.2Å; E286-I361 HydrophobicContact CB-CD1 4.47Å; E286-I361 HydrophobicContact CG-CD1 3.61Å; E286-T368 PolarHBondContact OE1-OG1 3.33Å; E286-T368 VanDerWaalsContact OE1-OG1 3.06Å
287N74.6Confident71.9Confident46 Ų4651.5 Ų51.525%0.24629%0.285CS..  trans-71.698.9175.2-79.2-44.9000110.9D289 K290N287-D289 PolarHBondContact O-N 2.87Å; N287-K290 PolarHBondContact O-N 3.41Å; N287-K290 VanDerWaalsContact O-N 3.09Å
288S64.5Low69.6Low44 Ų4457.4 Ų57.431%0.30832%0.316SS..G310 helixtrans-53.5-32.8173.351.80000113.5E286 K290 L291 R309E286-S288 PolarHBondContact O-N 3.48Å; S288-K290 PolarHBondContact O-N 3.46Å; S288-L291 WeakPolarHBondContact O-CB 3.45Å; S288-L291 PolarHBondContact O-N 2.84Å; S288-R309 PolarHBondContact OG-NH1 2.79Å; S288-R309 VanDerWaalsContact OG-NH1 3.09Å; S288-R309 PolarHBondContact OG-NH2 2.85Å
289D59.7Low67.4Low105 Ų10564.3 Ų64.356%0.56135%0.353SS*.G310 helixtrans-61.3-19.3179.1-55.7-16.6000113.1N287N287-D289 PolarHBondContact O-N 2.87Å
290K50.7Low65.7Low130 Ų13067 Ų6757%0.56537%0.367SS*.G310 helixtrans-96.2-8.9175.2-70.6-175.8174.8-176.50113.3N287 S288 T292N287-K290 PolarHBondContact O-N 3.41Å; N287-K290 VanDerWaalsContact O-N 3.09Å; S288-K290 PolarHBondContact O-N 3.46Å; K290-T292 PolarHBondContact O-N 3.28Å
291L49.8Very low64.5Low41 Ų4166.7 Ų66.722%0.21538%0.377CS..  trans-89.254.8178.5-62.8165.3000109.1R35 S288 N293R35-L291 WeakPolarHBondContact O-CD2 3.49Å; S288-L291 WeakPolarHBondContact O-CB 3.45Å; S288-L291 PolarHBondContact O-N 2.84Å; L291-N293 VanDerWaalsContact C-N 3.28Å; L291-N293 PolarHBondContact O-N 3.24Å
292T44.5Very low63.9Low114 Ų11468.1 Ų68.170%0.69938%0.383SS*.  trans-79.8-4.9-175.344.40000114.2K290K290-T292 PolarHBondContact O-N 3.28Å
293N40.4Very low63.5Low158 Ų15871 Ų7185%0.84540%0.4SS*.SBendtrans-137.317.1-168.4-89.6-10.3000115.9L291L291-N293 VanDerWaalsContact C-N 3.28Å; L291-N293 PolarHBondContact O-N 3.24Å
294T42.1Very low63.5Low23 Ų2369.5 Ų69.514%0.14139%0.391CS..  trans-114.6126.2-179.961.60000110.5E37 V296 S297E37-T294 WeakPolarHBondContact OE1-CG2 3.32Å; T294-V296 PolarHBondContact O-N 2.69Å; T294-S297 PolarHBondContact O-N 2.89Å; T294-S297 VanDerWaalsContact O-N 3.08Å
295T41.4Very low63.6Low134 Ų13474.2 Ų74.282%0.82241%0.411SS*.THydrogen-bonded Turntrans-53.92.2175.234.40000114.8
296V46.4Very low63.6Low68 Ų6879.6 Ų79.641%0.41244%0.435SS..THydrogen-bonded Turntrans-78.5-29.8173.6-167.90000111T294 D298 N299 I300T294-V296 PolarHBondContact O-N 2.69Å; V296-D298 VanDerWaalsContact C-N 3.28Å; V296-D298 PolarHBondContact O-N 2.91Å; V296-N299 PolarHBondContact O-N 3.4Å; V296-I300 HydrophobicContact CG1-CD1 3.92Å; V296-I300 HydrophobicContact CG1-CG1 4.08Å; V296-I300 WeakPolarHBondContact O-CG1 3.4Å
297S47.2Very low63.9Low69 Ų6983.2 Ų83.248%0.48346%0.46SS..G310 helixtrans-59.7-34.6-174.964.80000114T294 N299T294-S297 PolarHBondContact O-N 2.89Å; T294-S297 VanDerWaalsContact O-N 3.08Å; S297-N299 VanDerWaalsContact C-N 3.26Å; S297-N299 PolarHBondContact O-N 2.81Å
298D48.1Very low65Low137 Ų13781.4 Ų81.473%0.73345%0.45SS*.G310 helixtrans-76.3-14.5-171.2-65.2-9.8000113.2V296V296-D298 VanDerWaalsContact C-N 3.28Å; V296-D298 PolarHBondContact O-N 2.91Å
299N53.5Low66.5Low145 Ų14579.6 Ų79.678%0.77544%0.437SS*.G310 helixtrans-120.36.8-175.1-78.5-25000114.6V296 S297 P301V296-N299 PolarHBondContact O-N 3.4Å; S297-N299 VanDerWaalsContact C-N 3.26Å; S297-N299 PolarHBondContact O-N 2.81Å; N299-P301 VanDerWaalsContact O-CD 3.26Å; N299-P301 WeakPolarHBondContact O-CD 3.24Å
300I61.1Low68.2Low56 Ų5678.8 Ų78.829%0.28743%0.432SS..  trans-83.2112172.7-63168.7000108L186 V296 F302 V303L186-I300 HydrophobicContact CD2-CG2 3.79Å; V296-I300 HydrophobicContact CG1-CD1 3.92Å; V296-I300 HydrophobicContact CG1-CG1 4.08Å; V296-I300 WeakPolarHBondContact O-CG1 3.4Å; I300-F302 WeakPolarHBondContact CG2-O 3.45Å; I300-F302 PolarHBondContact O-N 2.93Å; I300-F302 VanDerWaalsContact O-N 3.13Å; I300-V303 HydrophobicContact CB-CG2 4.42Å; I300-V303 HydrophobicContact CG2-CG2 3.82Å
301P70.7Confident70.5Confident84 Ų8473.6 Ų73.655%0.54541%0.409SS..SBendtrans-68.5-15-176.227.1-34.5000113.5P185 N299P185-P301 VanDerWaalsContact C-CG 3.49Å; P185-P301 HydrophobicContact CB-CB 4.22Å; P185-P301 HydrophobicContact CB-CG 3.37Å; P185-P301 WeakPolarHBondContact O-CD 3.21Å; P185-P301 WeakPolarHBondContact O-CG 2.93Å; N299-P301 VanDerWaalsContact O-CD 3.26Å; N299-P301 WeakPolarHBondContact O-CD 3.24Å
302F82.5Confident72.8Confident30 Ų3071.7 Ų71.713%0.13240%0.399CS..  trans-156136.7-177.5166.5-95.2000112.6K77 I300 F304K77-F302 HydrophobicContact CD-CD1 4.31Å; K77-F302 HydrophobicContact CD-CD2 4.01Å; K77-F302 HydrophobicContact CD-CE1 3.78Å; K77-F302 HydrophobicContact CD-CE2 3.36Å; K77-F302 HydrophobicContact CD-CG 4.41Å; K77-F302 HydrophobicContact CD-CZ 3.26Å; I300-F302 WeakPolarHBondContact CG2-O 3.45Å; I300-F302 PolarHBondContact O-N 2.93Å; I300-F302 VanDerWaalsContact O-N 3.13Å; F302-F304 AromaticContact CE1-CD1 3.71Å; F302-F304 HydrophobicContact CE1-CD1 3.71Å; F302-F304 HydrophobicContact CE1-CD2 4.13Å; F302-F304 AromaticContact CE1-CE1 3.56Å; F302-F304 HydrophobicContact CE1-CE1 3.56Å; F302-F304 AromaticContact CE1-CE2 4Å; F302-F304 HydrophobicContact CE1-CE2 4Å; F302-F304 AromaticContact CE1-CG 3.98Å; F302-F304 HydrophobicContact CE1-CG 3.98Å; F302-F304 AromaticContact CE1-CZ 3.72Å; F302-F304 HydrophobicContact CE1-CZ 3.72Å; F302-F304 AromaticContact CZ-CD1 3.4Å; F302-F304 HydrophobicContact CZ-CD1 3.4Å; F302-F304 VanDerWaalsContact CZ-CD1 3.4Å; F302-F304 AromaticContact CZ-CE1 3.46Å; F302-F304 HydrophobicContact CZ-CE1 3.46Å; F302-F304 VanDerWaalsContact CZ-CE1 3.46Å; F302-F304 HydrophobicContact CZ-CG 4.01Å; F302-F304 HydrophobicContact CZ-CZ 4.12Å
303V88.5Confident75.3Confident60 Ų6067.4 Ų67.436%0.36437%0.372SS..  trans-130.2142.6171.9-178.10000109.3Q80 I300Q80-V303 PolarHBondContact NE2-O 3.39Å; Q80-V303 VanDerWaalsContact NE2-O 3.13Å; I300-V303 HydrophobicContact CB-CG2 4.42Å; I300-V303 HydrophobicContact CG2-CG2 3.82Å
304F93.3Very high78Confident1 Ų165.4 Ų65.40%0.00436%0.357CS..  trans-68.3134.5172-70.6-65000111.1F73 A76 K77 L284 L285 F302 I308 R309 M312F73-F304 AromaticContact CD1-CE2 3.65Å; F73-F304 HydrophobicContact CD1-CE2 3.65Å; F73-F304 HydrophobicContact CD1-CZ 4.05Å; F73-F304 AromaticContact CE1-CE2 3.94Å; F73-F304 HydrophobicContact CE1-CE2 3.94Å; A76-F304 HydrophobicContact CB-CD1 4.21Å; A76-F304 HydrophobicContact CB-CE1 3.59Å; A76-F304 HydrophobicContact CB-CZ 3.9Å; K77-F304 HydrophobicContact CB-CE1 4.24Å; L284-F304 HydrophobicContact CB-CD2 4.02Å; L284-F304 HydrophobicContact CB-CE2 4.16Å; L284-F304 HydrophobicContact CD1-CD2 4.41Å; L284-F304 HydrophobicContact CD1-CE2 3.84Å; L285-F304 HydrophobicContact CD2-CD2 4.5Å; F302-F304 AromaticContact CE1-CD1 3.71Å; F302-F304 HydrophobicContact CE1-CD1 3.71Å; F302-F304 HydrophobicContact CE1-CD2 4.13Å; F302-F304 AromaticContact CE1-CE1 3.56Å; F302-F304 HydrophobicContact CE1-CE1 3.56Å; F302-F304 AromaticContact CE1-CE2 4Å; F302-F304 HydrophobicContact CE1-CE2 4Å; F302-F304 AromaticContact CE1-CG 3.98Å; F302-F304 HydrophobicContact CE1-CG 3.98Å; F302-F304 AromaticContact CE1-CZ 3.72Å; F302-F304 HydrophobicContact CE1-CZ 3.72Å; F302-F304 AromaticContact CZ-CD1 3.4Å; F302-F304 HydrophobicContact CZ-CD1 3.4Å; F302-F304 VanDerWaalsContact CZ-CD1 3.4Å; F302-F304 AromaticContact CZ-CE1 3.46Å; F302-F304 HydrophobicContact CZ-CE1 3.46Å; F302-F304 VanDerWaalsContact CZ-CE1 3.46Å; F302-F304 HydrophobicContact CZ-CG 4.01Å; F302-F304 HydrophobicContact CZ-CZ 4.12Å; F304-I308 HydrophobicContact CB-CB 4.42Å; F304-I308 HydrophobicContact CB-CG2 4.27Å; F304-I308 HydrophobicContact CD1-CG2 3.69Å; F304-I308 HydrophobicContact CE1-CG2 4.41Å; F304-I308 HydrophobicContact CG-CG2 4.2Å; F304-R309 HydrophobicContact CB-CG 3.65Å; F304-R309 PolarHBondContact O-NH1 3.43Å; F304-M312 HydrophobicContact CD2-SD 4.38Å; F304-M312 HydrophobicContact CE2-SD 4.45Å
305K93.8Very high80.6Confident108 Ų10866 Ų6647%0.4736%0.361SS..  trans-55.3149.1170.1-66.5170.4-175.7165.10109.3Q80 S307 I308 R309Q80-K305 HydrophobicContact CG-CD 4.05Å; Q80-K305 HydrophobicContact CG-CG 4.3Å; Q80-K305 PolarHBondContact O-NZ 3.23Å; K305-S307 PolarHBondContact O-N 2.94Å; K305-I308 HydrophobicContact CB-CG1 4.16Å; K305-I308 PolarHBondContact O-N 3.3Å; K305-R309 PolarHBondContact O-N 3.43Å
306K94.1Very high83.1Confident115 Ų11561 Ų6150%0.533%0.331SS..Hα-helixtrans-54.2-39.3177.9-176.6175.7-178.6172.10112.9I308 R309 N310K306-I308 VanDerWaalsContact C-N 3.35Å; K306-I308 PolarHBondContact O-N 2.46Å; K306-R309 PolarHBondContact O-N 3.2Å; K306-N310 WeakPolarHBondContact O-CB 3.42Å; K306-N310 PolarHBondContact O-N 2.82Å; K306-N310 PolarHBondContact O-OD1 2.76Å
307S95.6Very high84.8Confident79 Ų7965.7 Ų65.755%0.55235%0.353SS*.Hα-helixtrans-60.8-41.8175.850.80000112.6K305 N310 W311K305-S307 PolarHBondContact O-N 2.94Å; S307-N310 PolarHBondContact O-N 3.08Å; S307-W311 PolarHBondContact O-N 3.16Å
308I96.8Very high86.1Confident9 Ų964.5 Ų64.55%0.04634%0.343CS..Hα-helixtrans-68.8-44.8179.1-59.8-67.4000110.4A76 Y79 Q80 F304 K305 K306 N310 W311 M312A76-I308 HydrophobicContact CB-CG2 3.93Å; Y79-I308 HydrophobicContact CD1-CD1 3.62Å; Y79-I308 HydrophobicContact CE1-CD1 3.93Å; Y79-I308 HydrophobicContact CG-CD1 4.08Å; Q80-I308 HydrophobicContact CB-CD1 4.14Å; Q80-I308 HydrophobicContact CB-CG1 3.9Å; Q80-I308 HydrophobicContact CG-CG1 4.25Å; F304-I308 HydrophobicContact CB-CB 4.42Å; F304-I308 HydrophobicContact CB-CG2 4.27Å; F304-I308 HydrophobicContact CD1-CG2 3.69Å; F304-I308 HydrophobicContact CE1-CG2 4.41Å; F304-I308 HydrophobicContact CG-CG2 4.2Å; K305-I308 HydrophobicContact CB-CG1 4.16Å; K305-I308 PolarHBondContact O-N 3.3Å; K306-I308 VanDerWaalsContact C-N 3.35Å; K306-I308 PolarHBondContact O-N 2.46Å; I308-N310 VanDerWaalsContact C-N 3.34Å; I308-N310 PolarHBondContact O-N 2.85Å; I308-W311 HydrophobicContact CG2-CE3 4.34Å; I308-W311 PolarHBondContact O-N 2.92Å; I308-M312 HydrophobicContact CG2-CG 4.42Å; I308-M312 HydrophobicContact CG2-SD 4.17Å; I308-M312 VanDerWaalsContact O-CG 3.29Å; I308-M312 WeakPolarHBondContact O-CG 3.36Å; I308-M312 PolarHBondContact O-N 3.22Å
309R96.2Very high87.7Confident5 Ų561.6 Ų61.62%0.01933%0.333CS..Hα-helixtrans-60.3-43.7174.4-62.8-170.1-55.4-112.910.4112L284 E286 S288 F304 K305 K306 W311 M312 L313L284-R309 WeakPolarHBondContact O-CD 3.46Å; E286-R309 PolarHBondContact O-NE 3.2Å; S288-R309 PolarHBondContact OG-NH1 2.79Å; S288-R309 VanDerWaalsContact OG-NH1 3.09Å; S288-R309 PolarHBondContact OG-NH2 2.85Å; F304-R309 HydrophobicContact CB-CG 3.65Å; F304-R309 PolarHBondContact O-NH1 3.43Å; K305-R309 PolarHBondContact O-N 3.43Å; K306-R309 PolarHBondContact O-N 3.2Å; R309-W311 VanDerWaalsContact C-N 3.34Å; R309-W311 PolarHBondContact O-N 3.36Å; R309-M312 PolarHBondContact O-N 3.44Å; R309-L313 WeakPolarHBondContact O-CB 3.39Å; R309-L313 WeakPolarHBondContact O-CG 3.43Å; R309-L313 PolarHBondContact O-N 3.3Å
310N96.5Very high89.3Confident88 Ų8856.4 Ų56.447%0.47131%0.308SS..Hα-helixtrans-60.4-43.5176.7-74.1-5.8000111.6K306 S307 I308 L313 Q314K306-N310 WeakPolarHBondContact O-CB 3.42Å; K306-N310 PolarHBondContact O-N 2.82Å; K306-N310 PolarHBondContact O-OD1 2.76Å; S307-N310 PolarHBondContact O-N 3.08Å; I308-N310 VanDerWaalsContact C-N 3.34Å; I308-N310 PolarHBondContact O-N 2.85Å; N310-L313 CarbonylContact O-C 3.29Å; N310-L313 PolarHBondContact O-N 3.07Å; N310-Q314 WeakPolarHBondContact O-CB 3.45Å; N310-Q314 PolarHBondContact O-N 3.4Å
311W97.5Very high90.6Very high22 Ų2259.6 Ų59.68%0.08332%0.318CS..Hα-helixtrans-61.5-48.5173.7163.672.6000111.5A76 Y79 I86 L108 S307 I308 R309 L313 Q314 S333 A334A76-W311 HydrophobicContact CB-CZ3 3.82Å; Y79-W311 HydrophobicContact CD1-CD2 4.12Å; Y79-W311 AromaticContact CD1-CE3 3.94Å; Y79-W311 HydrophobicContact CD1-CE3 3.94Å; Y79-W311 HydrophobicContact CD1-CH2 4.47Å; Y79-W311 HydrophobicContact CD1-CZ3 4.13Å; Y79-W311 HydrophobicContact CE1-CD2 4.11Å; Y79-W311 HydrophobicContact CE1-CE3 4.33Å; Y79-W311 HydrophobicContact CE1-CG 4.29Å; I86-W311 HydrophobicContact CD1-CD2 4.39Å; I86-W311 HydrophobicContact CD1-CG 4.42Å; I86-W311 HydrophobicContact CD1-CZ2 4.11Å; I86-W311 HydrophobicContact CG2-CH2 4.2Å; I86-W311 HydrophobicContact CG2-CZ2 3.75Å; L108-W311 HydrophobicContact CD1-CH2 4.01Å; L108-W311 HydrophobicContact CD1-CZ2 3.81Å; S307-W311 PolarHBondContact O-N 3.16Å; I308-W311 HydrophobicContact CG2-CE3 4.34Å; I308-W311 PolarHBondContact O-N 2.92Å; R309-W311 VanDerWaalsContact C-N 3.34Å; R309-W311 PolarHBondContact O-N 3.36Å; W311-L313 PolarHBondContact O-N 3.25Å; W311-L313 VanDerWaalsContact O-N 3.14Å; W311-Q314 WeakPolarHBondContact O-CB 3.48Å; W311-Q314 PolarHBondContact O-N 2.95Å; W311-Q314 VanDerWaalsContact O-N 3.09Å; W311-S333 WeakPolarHBondContact O-CB 3.46Å; W311-A334 HydrophobicContact CH2-CB 3.87Å; W311-A334 HydrophobicContact CZ2-CB 4.15Å; W311-A334 HydrophobicContact CZ3-CB 4.11Å
312M98.2Very high91.5Very high0 Ų055.6 Ų55.60%029%0.292CS..Hα-helixtrans-58.7-30.9179.6-68.9177.286.600113.1P72 F73 A76 L285 F304 I308 R309 S332 A334 F336P72-M312 HydrophobicContact CB-CE 4.37Å; F73-M312 HydrophobicContact CD1-CE 4.1Å; F73-M312 HydrophobicContact CE1-CE 4.26Å; F73-M312 HydrophobicContact CG-CE 4.49Å; A76-M312 HydrophobicContact CB-CE 3.54Å; A76-M312 HydrophobicContact CB-CG 3.98Å; A76-M312 HydrophobicContact CB-SD 3.33Å; A76-M312 WeakPolarHBondContact CB-SD 3.26Å; L285-M312 HydrophobicContact CD2-CB 4.36Å; L285-M312 HydrophobicContact CD2-CE 3.73Å; L285-M312 HydrophobicContact CD2-SD 3.49Å; L285-M312 WeakPolarHBondContact CD2-SD 3.09Å; F304-M312 HydrophobicContact CD2-SD 4.38Å; F304-M312 HydrophobicContact CE2-SD 4.45Å; I308-M312 HydrophobicContact CG2-CG 4.42Å; I308-M312 HydrophobicContact CG2-SD 4.17Å; I308-M312 VanDerWaalsContact O-CG 3.29Å; I308-M312 WeakPolarHBondContact O-CG 3.36Å; I308-M312 PolarHBondContact O-N 3.22Å; R309-M312 PolarHBondContact O-N 3.44Å; M312-S332 WeakPolarHBondContact O-CB 3.47Å; M312-S332 PolarHBondContact O-OG 2.68Å; M312-A334 HydrophobicContact CB-CB 3.99Å; M312-A334 HydrophobicContact CG-CB 3.95Å; M312-F336 HydrophobicContact CB-CE2 4.36Å; M312-F336 HydrophobicContact CE-CE2 3.86Å; M312-F336 HydrophobicContact CE-CZ 4.06Å
313L97.4Very high91.7Very high24 Ų2455.9 Ų55.913%0.12630%0.297CS..THydrogen-bonded Turntrans-102.84.5-178.3-58.9174000113.2L285 R309 N310 W311 V315 F348 I361 P363L285-L313 HydrophobicContact CD1-CD2 4.31Å; R309-L313 WeakPolarHBondContact O-CB 3.39Å; R309-L313 WeakPolarHBondContact O-CG 3.43Å; R309-L313 PolarHBondContact O-N 3.3Å; N310-L313 CarbonylContact O-C 3.29Å; N310-L313 PolarHBondContact O-N 3.07Å; W311-L313 PolarHBondContact O-N 3.25Å; W311-L313 VanDerWaalsContact O-N 3.14Å; L313-V315 PolarHBondContact O-N 2.97Å; L313-F348 HydrophobicContact CB-CD1 4.45Å; L313-F348 HydrophobicContact CB-CE1 4.37Å; L313-F348 HydrophobicContact CB-CZ 4.45Å; L313-F348 HydrophobicContact CD2-CB 3.58Å; L313-F348 HydrophobicContact CD2-CD1 3.98Å; L313-F348 HydrophobicContact CD2-CD2 3.84Å; L313-F348 HydrophobicContact CD2-CG 3.52Å; L313-F348 WeakPolarHBondContact O-CE1 3.35Å; L313-F348 VanDerWaalsContact O-CZ 3.26Å; L313-F348 WeakPolarHBondContact O-CZ 3.23Å; L313-I361 HydrophobicContact CD2-CG2 4.18Å; L313-P363 HydrophobicContact CD1-CB 3.9Å; L313-P363 HydrophobicContact CD1-CG 4.16Å
314Q97.4Very high91.5Very high116 Ų11653.2 Ų53.254%0.54228%0.28SS..PPolyproline II helixtrans-75.2118.9176.8176.9176.3-1000109.6N310 W311 S332 S333N310-Q314 WeakPolarHBondContact O-CB 3.45Å; N310-Q314 PolarHBondContact O-N 3.4Å; W311-Q314 WeakPolarHBondContact O-CB 3.48Å; W311-Q314 PolarHBondContact O-N 2.95Å; W311-Q314 VanDerWaalsContact O-N 3.09Å; Q314-S332 CarbonylContact O-C 3.56Å; Q314-S332 WeakPolarHBondContact O-CA 3.37Å; Q314-S332 WeakPolarHBondContact O-CB 3.38Å; Q314-S333 PolarHBondContact O-N 3.23Å; Q314-S333 PolarHBondContact O-OG 3.5Å
315V97.2Very high91Very high36 Ų3654 Ų5422%0.21829%0.285CS..EExtended strand (participates in β ladder)trans-65.7131.2176.2174.10000110.9L313 K330 V338 L346 F348L313-V315 PolarHBondContact O-N 2.97Å; V315-K330 HydrophobicContact CG1-CD 4.36Å; V315-K330 HydrophobicContact CG1-CG 4.39Å; V315-V338 HydrophobicContact CG2-CG1 4.16Å; V315-V338 HydrophobicContact CG2-CG2 4.42Å; V315-L346 HydrophobicContact CG2-CD1 3.96Å; V315-F348 HydrophobicContact CG2-CE1 3.87Å; V315-F348 HydrophobicContact CG2-CZ 4.06Å
316V93.6Very high90.4Very high30 Ų3050.5 Ų50.518%0.18227%0.27CS..EExtended strand (participates in β ladder)trans-83.4135.3170.3-176.20000108.9T109 T318 L331T109-V316 HydrophobicContact CG2-CG2 3.89Å; V316-T318 HydrophobicContact CG1-CG2 4.27Å; V316-T318 WeakPolarHBondContact CG1-OG1 3.34Å; V316-T318 PolarHBondContact O-N 3.33Å; V316-L331 PolarHBondContact N-O 3.14Å
317N82Confident89.9Confident165 Ų16546.6 Ų46.688%0.88225%0.252SS*.EExtended strand (participates in β ladder)trans-75.734.8-178.4-76.1-18.4000113.6
318T75.1Confident89.6Confident45 Ų4550.6 Ų50.628%0.27626%0.256SS..EExtended strand (participates in β ladder)trans-122.6111.3174.856.10000108.2V316V316-T318 HydrophobicContact CG1-CG2 4.27Å; V316-T318 WeakPolarHBondContact CG1-OG1 3.34Å; V316-T318 PolarHBondContact O-N 3.33Å
319S81Confident89.3Confident75 Ų7550.3 Ų50.352%0.52426%0.255SS..EExtended strand (participates in β ladder)trans-117.1108.2165.5178.90000106.6
320S86.4Confident89.2Confident36 Ų3653.5 Ų53.525%0.25227%0.269SS..EExtended strand (participates in β ladder)trans-123.1154.3-178.963.60000110.1Q149 D322 Y328 L329Q149-S320 PolarHBondContact OE1-OG 3.5Å; S320-D322 PolarHBondContact O-N 3.43Å; S320-Y328 WeakPolarHBondContact O-CA 3.24Å; S320-L329 PolarHBondContact O-N 3.24Å
321Y89.8Confident89.2Confident123 Ų12349.3 Ų49.348%0.48225%0.246SC..EExtended strand (participates in β ladder)trans-73.7119.6170.8-176.4-90000108.5H326 Y328Y321-H326 VanDerWaalsContact OH-CA 3.32Å; Y321-H326 WeakPolarHBondContact OH-CA 3.49Å; Y321-H326 WeakPolarHBondContact OH-CB 3.43Å; Y321-H326 PolarHBondContact OH-O 3.07Å; Y321-Y328 HydrophobicContact CD2-CD2 4.16Å; Y321-Y328 HydrophobicContact CD2-CE2 4.04Å
322D88.3Confident89.2Confident0 Ų048.2 Ų48.20%024%0.242CC..EExtended strand (participates in β ladder)trans-88.4120.1-177.8-172.8-91.9000111V150 F151 S320 V324 L325 H326 R327 L329V150-D322 WeakPolarHBondContact CA-OD2 3.43Å; F151-D322 WeakPolarHBondContact CB-OD2 3.39Å; F151-D322 PolarHBondContact N-OD2 2.92Å; S320-D322 PolarHBondContact O-N 3.43Å; D322-V324 VanDerWaalsContact C-N 3.28Å; D322-V324 PolarHBondContact O-N 2.61Å; D322-V324 WeakPolarHBondContact OD1-CA 3.32Å; D322-V324 WeakPolarHBondContact OD1-CB 3.27Å; D322-V324 PolarHBondContact OD1-N 3.15Å; D322-L325 HydrophobicContact CB-CB 4.29Å; D322-L325 WeakPolarHBondContact OD1-CB 3.34Å; D322-L325 WeakPolarHBondContact OD1-CG 3.42Å; D322-L325 PolarHBondContact OD1-N 3.23Å; D322-H326 VanDerWaalsContact O-CA 3.24Å; D322-H326 WeakPolarHBondContact O-CA 3.32Å; D322-H326 PolarHBondContact O-N 3.43Å; D322-R327 WeakPolarHBondContact CB-O 3.12Å; D322-R327 PolarHBondContact N-O 3.06Å; D322-L329 HydrophobicContact CB-CB 4.02Å
323P87.3Confident89.2Confident37 Ų3748.9 Ų48.924%0.2425%0.247CC..THydrogen-bonded Turntrans-76-10.2-177.131.4-35.9000113.8V150 H326V150-P323 HydrophobicContact CG1-CG 3.91Å; V150-P323 HydrophobicContact CG2-CG 4.22Å; P323-H326 PolarHBondContact O-CD2 3.27Å; P323-H326 PolarHBondContact O-NE2 3.07Å
324V84.6Confident89.2Confident3 Ų347.7 Ų47.72%0.01824%0.241CC..THydrogen-bonded Turntrans-91.6-44.6177.8177.60000110.4V150 F151 R241 A244 L245 D322V150-V324 HydrophobicContact CG1-CG2 3.84Å; F151-V324 HydrophobicContact CB-CB 4.18Å; F151-V324 HydrophobicContact CB-CG1 4.49Å; F151-V324 HydrophobicContact CD1-CG1 4.15Å; R241-V324 WeakPolarHBondContact CD-O 3.35Å; R241-V324 HydrophobicContact CG-CG1 4.36Å; R241-V324 WeakPolarHBondContact CG-O 3.47Å; R241-V324 PolarHBondContact NE-O 3.48Å; A244-V324 HydrophobicContact CB-CB 4.47Å; A244-V324 HydrophobicContact CB-CG1 3.84Å; A244-V324 HydrophobicContact CB-CG2 3.71Å; L245-V324 HydrophobicContact CD2-CG1 4.35Å; L245-V324 HydrophobicContact CG-CG1 4.4Å; D322-V324 VanDerWaalsContact C-N 3.28Å; D322-V324 PolarHBondContact O-N 2.61Å; D322-V324 WeakPolarHBondContact OD1-CA 3.32Å; D322-V324 WeakPolarHBondContact OD1-CB 3.27Å; D322-V324 PolarHBondContact OD1-N 3.15Å
325L83.5Confident89.1Confident18 Ų1842.3 Ų42.39%0.09422%0.216CC..THydrogen-bonded Turntrans-86.4-16.9179.9-59.2177.7000112.9F151 D322 R327 L329 M337F151-L325 HydrophobicContact CB-CD1 4.04Å; F151-L325 HydrophobicContact CB-CG 3.99Å; F151-L325 HydrophobicContact CD1-CD1 4.41Å; F151-L325 HydrophobicContact CD1-CD2 3.87Å; F151-L325 HydrophobicContact CD1-CG 4.12Å; F151-L325 HydrophobicContact CD2-CD1 3.87Å; F151-L325 HydrophobicContact CD2-CG 4.44Å; F151-L325 HydrophobicContact CE1-CD2 4.1Å; F151-L325 HydrophobicContact CE2-CD1 4.42Å; F151-L325 HydrophobicContact CG-CD1 3.86Å; F151-L325 HydrophobicContact CG-CD2 4.17Å; F151-L325 HydrophobicContact CG-CG 3.94Å; D322-L325 HydrophobicContact CB-CB 4.29Å; D322-L325 WeakPolarHBondContact OD1-CB 3.34Å; D322-L325 WeakPolarHBondContact OD1-CG 3.42Å; D322-L325 PolarHBondContact OD1-N 3.23Å; L325-R327 HydrophobicContact CB-CG 3.86Å; L325-L329 HydrophobicContact CD1-CD1 4.08Å; L325-L329 HydrophobicContact CD1-CD2 4.13Å; L325-M337 HydrophobicContact CD1-CE 4.3Å
326H81.1Confident89.1Confident34 Ų3440.6 Ų40.616%0.15721%0.205CC..THydrogen-bonded Turntrans58.343.3-177.3-65.5-153.7000112.4T231 Y321 D322 P323T231-H326 WeakPolarHBondContact CG2-CE1 3.49Å; T231-H326 WeakPolarHBondContact CG2-ND1 3.25Å; Y321-H326 VanDerWaalsContact OH-CA 3.32Å; Y321-H326 WeakPolarHBondContact OH-CA 3.49Å; Y321-H326 WeakPolarHBondContact OH-CB 3.43Å; Y321-H326 PolarHBondContact OH-O 3.07Å; D322-H326 VanDerWaalsContact O-CA 3.24Å; D322-H326 WeakPolarHBondContact O-CA 3.32Å; D322-H326 PolarHBondContact O-N 3.43Å; P323-H326 PolarHBondContact O-CD2 3.27Å; P323-H326 PolarHBondContact O-NE2 3.07Å
327R82.9Confident89.2Confident34 Ų3439.6 Ų39.613%0.12820%0.199CC..EExtended strand (participates in β ladder)trans-153.9163.9177.959154.1175.1-104.16.2111.2D322 L325 L329 M337 D353D322-R327 WeakPolarHBondContact CB-O 3.12Å; D322-R327 PolarHBondContact N-O 3.06Å; L325-R327 HydrophobicContact CB-CG 3.86Å; R327-L329 PolarHBondContact O-N 3.41Å; R327-M337 PolarHBondContact NH2-SD 3.25Å; R327-D353 IonicContact CZ-OD2 3.87Å; R327-D353 IonicContact NH1-OD1 3.72Å; R327-D353 PolarHBondContact NH1-OD1 3.17Å; R327-D353 IonicContact NH1-OD2 3.16Å; R327-D353 PolarHBondContact NH1-OD2 3.45Å; R327-D353 IonicContact NH2-OD2 3.3Å
328Y88.6Confident89.8Confident163 Ų16332.2 Ų32.264%0.63916%0.16SC*.EExtended strand (participates in β ladder)trans-66.2129165.3-74-89000110.3S320 Y321S320-Y328 WeakPolarHBondContact O-CA 3.24Å; Y321-Y328 HydrophobicContact CD2-CD2 4.16Å; Y321-Y328 HydrophobicContact CD2-CE2 4.04Å
329L90.4Very high90.7Very high2 Ų231.2 Ų31.21%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-115.4117.2-180-176.466000109.3Q149 F151 S320 D322 L325 R327 L331 M337Q149-L329 PolarHBondContact NE2-O 3.09Å; F151-L329 HydrophobicContact CD2-CD2 4.42Å; S320-L329 PolarHBondContact O-N 3.24Å; D322-L329 HydrophobicContact CB-CB 4.02Å; L325-L329 HydrophobicContact CD1-CD1 4.08Å; L325-L329 HydrophobicContact CD1-CD2 4.13Å; R327-L329 PolarHBondContact O-N 3.41Å; L329-L331 HydrophobicContact CD1-CD2 3.85Å; L329-L331 HydrophobicContact CD2-CD1 4.23Å; L329-L331 HydrophobicContact CD2-CD2 4.09Å; L329-L331 HydrophobicContact CD2-CG 4.27Å; L329-L331 HydrophobicContact CG-CD2 3.85Å; L329-L331 HydrophobicContact CG-CG 4.04Å; L329-M337 HydrophobicContact CD1-CE 4.5Å; L329-M337 HydrophobicContact CD1-CG 4.01Å; L329-M337 HydrophobicContact CD1-SD 4.19Å
330K94.7Very high91.3Very high72 Ų7232.2 Ų32.231%0.31315%0.153SC..EExtended strand (participates in β ladder)trans-109.9134.8171.5-172179.1177.4177.20108.2V315 V338V315-K330 HydrophobicContact CG1-CD 4.36Å; V315-K330 HydrophobicContact CG1-CG 4.39Å; K330-V338 HydrophobicContact CB-CB 4.25Å; K330-V338 HydrophobicContact CD-CB 4.17Å; K330-V338 HydrophobicContact CD-CG1 4.13Å; K330-V338 HydrophobicContact CG-CB 3.99Å; K330-V338 HydrophobicContact CG-CG1 4.46Å; K330-V338 PolarHBondContact O-N 3.37Å
331L96.2Very high91.8Very high0 Ų030.7 Ų30.70%014%0.143CC..EExtended strand (participates in β ladder)trans-124.7157-173.8-61.7175.2000112.2T109 H110 V316 L329 F336 M337 V338T109-L331 WeakPolarHBondContact O-CD1 3.33Å; H110-L331 HydrophobicContact CB-CD1 4.36Å; V316-L331 PolarHBondContact N-O 3.14Å; L329-L331 HydrophobicContact CD1-CD2 3.85Å; L329-L331 HydrophobicContact CD2-CD1 4.23Å; L329-L331 HydrophobicContact CD2-CD2 4.09Å; L329-L331 HydrophobicContact CD2-CG 4.27Å; L329-L331 HydrophobicContact CG-CD2 3.85Å; L329-L331 HydrophobicContact CG-CG 4.04Å; L331-F336 CarbonylContact C-O 3.6Å; L331-F336 WeakPolarHBondContact CA-O 3.32Å; L331-M337 HydrophobicContact CD2-CG 4.27Å; L331-V338 VanDerWaalsContact C-CG2 3.5Å
332S97.6Very high92Very high0 Ų027.7 Ų27.70%014%0.138CC..EExtended strand (participates in β ladder)trans-87.7170.8161.280.60000111.2M312 Q314 A334 G335 F336M312-S332 WeakPolarHBondContact O-CB 3.47Å; M312-S332 PolarHBondContact O-OG 2.68Å; Q314-S332 CarbonylContact O-C 3.56Å; Q314-S332 WeakPolarHBondContact O-CA 3.37Å; Q314-S332 WeakPolarHBondContact O-CB 3.38Å; S332-A334 PolarHBondContact O-N 3.44Å; S332-A334 PolarHBondContact OG-N 3.18Å; S332-G335 PolarHBondContact O-N 3.14Å; S332-F336 PolarHBondContact N-O 3.45Å; S332-F336 WeakPolarHBondContact OG-CB 3.41Å; S332-F336 PolarHBondContact OG-N 3.42Å; S332-F336 VanDerWaalsContact OG-N 3.13Å
333S97.6Very high92.3Very high13 Ų1330.8 Ų30.89%0.09115%0.151CC..THydrogen-bonded Turntrans-67.7-20.5-178.6-51.70000112.7W311 Q314W311-S333 WeakPolarHBondContact O-CB 3.46Å; Q314-S333 PolarHBondContact O-N 3.23Å; Q314-S333 PolarHBondContact O-OG 3.5Å
334A97.7Very high92.7Very high0 Ų035.6 Ų35.60%018%0.175CC..THydrogen-bonded Turntrans-89.3-2.417000000113.4P72 W311 M312 S332P72-A334 HydrophobicContact CB-CB 3.95Å; P72-A334 WeakPolarHBondContact CB-O 3.35Å; W311-A334 HydrophobicContact CH2-CB 3.87Å; W311-A334 HydrophobicContact CZ2-CB 4.15Å; W311-A334 HydrophobicContact CZ3-CB 4.11Å; M312-A334 HydrophobicContact CB-CB 3.99Å; M312-A334 HydrophobicContact CG-CB 3.95Å; S332-A334 PolarHBondContact O-N 3.44Å; S332-A334 PolarHBondContact OG-N 3.18Å
335G96.2Very high93.2Very high2 Ų235.8 Ų35.82%0.02118%0.176CC..  trans9013-179.800000115.1L108 S332L108-G335 WeakPolarHBondContact O-CA 3.32Å; S332-G335 PolarHBondContact O-N 3.14Å
336F97.2Very high93.8Very high0 Ų037.6 Ų37.60%019%0.186CC..  trans-70.1141.4169.8-68.1-55.5000110.5P72 F73 F282 L285 M312 L331 S332 F348 M350P72-F336 HydrophobicContact CB-CE1 3.93Å; P72-F336 HydrophobicContact CB-CE2 4.17Å; P72-F336 HydrophobicContact CB-CZ 3.72Å; P72-F336 HydrophobicContact CG-CD1 4.07Å; P72-F336 HydrophobicContact CG-CE1 3.42Å; P72-F336 VanDerWaalsContact CG-CE1 3.42Å; P72-F336 HydrophobicContact CG-CZ 3.71Å; F73-F336 HydrophobicContact CD2-CZ 4.27Å; F73-F336 HydrophobicContact CE2-CE1 4.24Å; F73-F336 AromaticContact CE2-CZ 3.83Å; F73-F336 HydrophobicContact CE2-CZ 3.83Å; F73-F336 HydrophobicContact CZ-CZ 4.2Å; F282-F336 HydrophobicContact CE1-CD1 4.28Å; F282-F336 AromaticContact CE1-CE1 3.92Å; F282-F336 HydrophobicContact CE1-CE1 3.92Å; F282-F336 HydrophobicContact CE1-CZ 4.22Å; F282-F336 HydrophobicContact CZ-CD1 4.16Å; F282-F336 AromaticContact CZ-CE1 3.61Å; F282-F336 HydrophobicContact CZ-CE1 3.61Å; F282-F336 HydrophobicContact CZ-CZ 4.19Å; L285-F336 HydrophobicContact CD1-CE2 3.66Å; L285-F336 HydrophobicContact CD1-CZ 3.95Å; M312-F336 HydrophobicContact CB-CE2 4.36Å; M312-F336 HydrophobicContact CE-CE2 3.86Å; M312-F336 HydrophobicContact CE-CZ 4.06Å; L331-F336 CarbonylContact C-O 3.6Å; L331-F336 WeakPolarHBondContact CA-O 3.32Å; S332-F336 PolarHBondContact N-O 3.45Å; S332-F336 WeakPolarHBondContact OG-CB 3.41Å; S332-F336 PolarHBondContact OG-N 3.42Å; S332-F336 VanDerWaalsContact OG-N 3.13Å; F336-F348 HydrophobicContact CB-CB 4.32Å; F336-M350 HydrophobicContact CD1-CE 4.25Å; F336-M350 HydrophobicContact CD1-CG 4.39Å
337M95.1Very high94.6Very high9 Ų936.2 Ų36.24%0.04418%0.18CC..EExtended strand (participates in β ladder)trans-69.5137.4170.6-52-174.3-178.300109.7F151 L325 R327 L329 L331 F348 G349 W351F151-M337 HydrophobicContact CE2-CE 3.9Å; F151-M337 HydrophobicContact CZ-CE 4.47Å; L325-M337 HydrophobicContact CD1-CE 4.3Å; R327-M337 PolarHBondContact NH2-SD 3.25Å; L329-M337 HydrophobicContact CD1-CE 4.5Å; L329-M337 HydrophobicContact CD1-CG 4.01Å; L329-M337 HydrophobicContact CD1-SD 4.19Å; L331-M337 HydrophobicContact CD2-CG 4.27Å; M337-F348 WeakPolarHBondContact O-CA 3.38Å; M337-G349 PolarHBondContact N-O 2.84Å; M337-G349 PolarHBondContact O-N 2.9Å; M337-W351 HydrophobicContact CB-CE3 3.86Å; M337-W351 HydrophobicContact CB-CH2 4.44Å; M337-W351 HydrophobicContact CB-CZ3 3.43Å; M337-W351 VanDerWaalsContact CB-CZ3 3.43Å; M337-W351 HydrophobicContact CG-CE3 4.2Å; M337-W351 HydrophobicContact CG-CZ3 4.03Å; M337-W351 HydrophobicContact SD-CD2 3.88Å; M337-W351 HydrophobicContact SD-CE3 3.28Å; M337-W351 HydrophobicContact SD-CH2 4.07Å; M337-W351 HydrophobicContact SD-CZ3 3.41Å; M337-W351 WeakPolarHBondContact SD-CZ3 3.47Å
338V95.5Very high95.3Very high10 Ų1035 Ų356%0.06118%0.175CC..EExtended strand (participates in β ladder)trans-113.8125.6-177.5-175.40000109.4V315 K330 L331 L346 M347 F348V315-V338 HydrophobicContact CG2-CG1 4.16Å; V315-V338 HydrophobicContact CG2-CG2 4.42Å; K330-V338 HydrophobicContact CB-CB 4.25Å; K330-V338 HydrophobicContact CD-CB 4.17Å; K330-V338 HydrophobicContact CD-CG1 4.13Å; K330-V338 HydrophobicContact CG-CB 3.99Å; K330-V338 HydrophobicContact CG-CG1 4.46Å; K330-V338 PolarHBondContact O-N 3.37Å; L331-V338 VanDerWaalsContact C-CG2 3.5Å; V338-L346 HydrophobicContact CG1-CD2 3.99Å; V338-M347 WeakPolarHBondContact CA-O 3.18Å; V338-F348 HydrophobicContact CG1-CE1 4.18Å; V338-F348 HydrophobicContact CG2-CD1 3.7Å; V338-F348 HydrophobicContact CG2-CE1 3.76Å
339T93.2Very high95.7Very high25 Ų2527.2 Ų27.215%0.15315%0.145CC..EExtended strand (participates in β ladder)trans-141169.4175.2-167.70000110.4M347 F360 L381T339-M347 HydrophobicContact CG2-CB 4.23Å; T339-M347 HydrophobicContact CG2-CE 3.55Å; T339-M347 PolarHBondContact N-O 3.01Å; T339-M347 VanDerWaalsContact N-O 3.07Å; T339-M347 PolarHBondContact O-N 3.23Å; T339-F360 HydrophobicContact CG2-CD1 4.36Å; T339-F360 HydrophobicContact CG2-CE1 3.67Å; T339-F360 HydrophobicContact CG2-CZ 3.9Å; T339-L381 HydrophobicContact CG2-CD2 4.16Å
340N94.5Very high95.9Very high95 Ų9527.7 Ų27.751%0.50815%0.147SC..EExtended strand (participates in β ladder)trans-89.8143.3175.8-67.2-21.2000110.4T345 L346N340-T345 CarbonylContact C-O 3.55Å; N340-T345 WeakPolarHBondContact CA-O 3.39Å; N340-L346 WeakPolarHBondContact OD1-CD2 3.2Å
341S95Very high95.6Very high5 Ų525.1 Ų25.14%0.03514%0.135CC..  trans-77.2169166.981.80000112K343 N344 T345 Y395S341-K343 PolarHBondContact O-N 3.07Å; S341-K343 VanDerWaalsContact O-N 3.14Å; S341-K343 PolarHBondContact OG-N 2.65Å; S341-K343 VanDerWaalsContact OG-N 3.07Å; S341-N344 PolarHBondContact O-N 3.35Å; S341-N344 PolarHBondContact OG-N 2.87Å; S341-T345 WeakPolarHBondContact CB-OG1 3.49Å; S341-T345 PolarHBondContact N-O 3.43Å; S341-T345 PolarHBondContact OG-N 3.44Å; S341-T345 VanDerWaalsContact OG-N 3.15Å; S341-T345 PolarHBondContact OG-O 2.89Å; S341-T345 PolarHBondContact OG-OG1 2.77Å; S341-Y395 WeakPolarHBondContact CB-OH 3.3Å; S341-Y395 WeakPolarHBondContact OG-CE1 2.97Å
342P94.2Very high95Very high59 Ų5925.1 Ų25.138%0.38314%0.135SC..THydrogen-bonded Turntrans-58.3-22.2170.4-25.336000114.3I391 D392 Y395P342-I391 HydrophobicContact CG-CG2 3.91Å; P342-D392 WeakPolarHBondContact CB-OD1 3.46Å; P342-D392 WeakPolarHBondContact CG-OD1 3.4Å; P342-Y395 HydrophobicContact CB-CG 4.39Å; P342-Y395 HydrophobicContact CG-CD2 4.16Å; P342-Y395 HydrophobicContact CG-CG 4.08Å
343K95.5Very high93.8Very high65 Ų6527 Ų2728%0.28315%0.145SC..THydrogen-bonded Turntrans-94.515175.1-75.9-174.8173.9-88.10113.2S341 T345 L365 Y395 I398S341-K343 PolarHBondContact O-N 3.07Å; S341-K343 VanDerWaalsContact O-N 3.14Å; S341-K343 PolarHBondContact OG-N 2.65Å; S341-K343 VanDerWaalsContact OG-N 3.07Å; K343-T345 PolarHBondContact O-N 2.93Å; K343-L365 HydrophobicContact CD-CD1 4.23Å; K343-Y395 HydrophobicContact CB-CD1 4.09Å; K343-Y395 HydrophobicContact CD-CD1 4.16Å; K343-Y395 WeakPolarHBondContact CE-O 3.34Å; K343-Y395 HydrophobicContact CG-CD1 4.03Å; K343-I398 WeakPolarHBondContact CE-O 3.49Å; K343-I398 PolarHBondContact NZ-O 3.22Å
344N95.3Very high92.7Very high138 Ų13827 Ų2774%0.73814%0.144SC*.SBendtrans58.925.1-178.7-62.6-50.5000114.8S341S341-N344 PolarHBondContact O-N 3.35Å; S341-N344 PolarHBondContact OG-N 2.87Å
345T95.7Very high91.9Very high7 Ų727 Ų274%0.04314%0.144CC..  trans-93.2154.8169.952.40000109.9N340 S341 K343 D362 Q364 L365N340-T345 CarbonylContact C-O 3.55Å; N340-T345 WeakPolarHBondContact CA-O 3.39Å; S341-T345 WeakPolarHBondContact CB-OG1 3.49Å; S341-T345 PolarHBondContact N-O 3.43Å; S341-T345 PolarHBondContact OG-N 3.44Å; S341-T345 VanDerWaalsContact OG-N 3.15Å; S341-T345 PolarHBondContact OG-O 2.89Å; S341-T345 PolarHBondContact OG-OG1 2.77Å; K343-T345 PolarHBondContact O-N 2.93Å; T345-D362 WeakPolarHBondContact CB-OD2 2.81Å; T345-D362 PolarHBondContact OG1-OD2 2.96Å; T345-Q364 HydrophobicContact CG2-CB 4.37Å; T345-Q364 VanDerWaalsContact CG2-CD 3.44Å; T345-Q364 HydrophobicContact CG2-CG 4.2Å; T345-Q364 VanDerWaalsContact CG2-OE1 3.31Å; T345-L365 HydrophobicContact CG2-CG 4.37Å
346L96.4Very high91.2Very high57 Ų5727.1 Ų27.130%0.29815%0.145SC..EExtended strand (participates in β ladder)trans-79.1130.4179.7-66.3177.3000111V315 V338 N340 F348 P363V315-L346 HydrophobicContact CG2-CD1 3.96Å; V338-L346 HydrophobicContact CG1-CD2 3.99Å; N340-L346 WeakPolarHBondContact OD1-CD2 3.2Å; L346-F348 HydrophobicContact CB-CE2 3.68Å; L346-F348 HydrophobicContact CB-CZ 3.93Å; L346-F348 HydrophobicContact CD1-CZ 4.19Å; L346-P363 WeakPolarHBondContact O-CD 3.33Å
347M96.9Very high90.9Very high5 Ų527.1 Ų27.13%0.02515%0.145CC..EExtended strand (participates in β ladder)trans-107.2141.3169.9-57.4-169.3-6100110.2V338 T339 F360 I361 D362 W369 Y395V338-M347 WeakPolarHBondContact CA-O 3.18Å; T339-M347 HydrophobicContact CG2-CB 4.23Å; T339-M347 HydrophobicContact CG2-CE 3.55Å; T339-M347 PolarHBondContact N-O 3.01Å; T339-M347 VanDerWaalsContact N-O 3.07Å; T339-M347 PolarHBondContact O-N 3.23Å; M347-F360 HydrophobicContact CB-CB 4.2Å; M347-F360 HydrophobicContact CB-CD1 3.58Å; M347-F360 HydrophobicContact CB-CE1 4.29Å; M347-F360 HydrophobicContact CB-CG 4.23Å; M347-I361 CarbonylContact C-O 3.01Å; M347-I361 VanDerWaalsContact CA-O 3.31Å; M347-I361 WeakPolarHBondContact CA-O 3.41Å; M347-D362 HydrophobicContact CG-CB 4.32Å; M347-W369 HydrophobicContact CE-CZ2 4.34Å; M347-W369 HydrophobicContact SD-CZ2 4.42Å; M347-Y395 WeakPolarHBondContact CG-OH 3.41Å; M347-Y395 HydrophobicContact SD-CE2 3.96Å; M347-Y395 PolarHBondContact SD-OH 2.86Å
348F97.8Very high90.9Very high7 Ų726.7 Ų26.73%0.03114%0.143CC..EExtended strand (participates in β ladder)trans-123.6128.8-179.8-58.2-98.6000109.7L313 V315 F336 M337 V338 L346 F360 I361 P363L313-F348 HydrophobicContact CB-CD1 4.45Å; L313-F348 HydrophobicContact CB-CE1 4.37Å; L313-F348 HydrophobicContact CB-CZ 4.45Å; L313-F348 HydrophobicContact CD2-CB 3.58Å; L313-F348 HydrophobicContact CD2-CD1 3.98Å; L313-F348 HydrophobicContact CD2-CD2 3.84Å; L313-F348 HydrophobicContact CD2-CG 3.52Å; L313-F348 WeakPolarHBondContact O-CE1 3.35Å; L313-F348 VanDerWaalsContact O-CZ 3.26Å; L313-F348 WeakPolarHBondContact O-CZ 3.23Å; V315-F348 HydrophobicContact CG2-CE1 3.87Å; V315-F348 HydrophobicContact CG2-CZ 4.06Å; F336-F348 HydrophobicContact CB-CB 4.32Å; M337-F348 WeakPolarHBondContact O-CA 3.38Å; V338-F348 HydrophobicContact CG1-CE1 4.18Å; V338-F348 HydrophobicContact CG2-CD1 3.7Å; V338-F348 HydrophobicContact CG2-CE1 3.76Å; L346-F348 HydrophobicContact CB-CE2 3.68Å; L346-F348 HydrophobicContact CB-CZ 3.93Å; L346-F348 HydrophobicContact CD1-CZ 4.19Å; F348-F360 CarbonylContact O-C 3.58Å; F348-F360 VanDerWaalsContact O-CA 3.32Å; F348-F360 WeakPolarHBondContact O-CA 3.26Å; F348-I361 HydrophobicContact CB-CG2 4.13Å; F348-I361 PolarHBondContact N-O 3.11Å; F348-I361 WeakPolarHBondContact O-CG2 3.48Å; F348-I361 PolarHBondContact O-N 3.32Å; F348-P363 HydrophobicContact CD2-CG 3.9Å; F348-P363 HydrophobicContact CE2-CG 3.7Å
349G97Very high91Very high0 Ų026.2 Ų26.20%014%0.14CC..EExtended strand (participates in β ladder)trans179-160.9-172.300000115M337 V359M337-G349 PolarHBondContact N-O 2.84Å; M337-G349 PolarHBondContact O-N 2.9Å; G349-V359 CarbonylContact C-O 3.43Å; G349-V359 WeakPolarHBondContact CA-O 3.15Å
350M94.5Very high91.2Very high12 Ų1225 Ų256%0.05913%0.133CC..EExtended strand (participates in β ladder)trans-139143.5170.3-67.8-166.5-177.900109.3V66 M68 V69 P72 F336 G358 V359V66-M350 HydrophobicContact CG1-CB 4.42Å; M68-M350 HydrophobicContact CB-CE 3.9Å; M68-M350 HydrophobicContact CB-SD 3.55Å; M68-M350 VanDerWaalsContact CB-SD 3.55Å; M68-M350 WeakPolarHBondContact O-CE 3.25Å; V69-M350 HydrophobicContact CB-SD 4.24Å; V69-M350 HydrophobicContact CG1-CB 3.85Å; V69-M350 HydrophobicContact CG1-CE 4.38Å; V69-M350 HydrophobicContact CG1-CG 3.72Å; V69-M350 HydrophobicContact CG1-SD 3.51Å; V69-M350 VanDerWaalsContact CG1-SD 3.51Å; V69-M350 PolarHBondContact N-SD 2.74Å; P72-M350 HydrophobicContact CG-CE 3.91Å; F336-M350 HydrophobicContact CD1-CE 4.25Å; F336-M350 HydrophobicContact CD1-CG 4.39Å; M350-G358 CarbonylContact O-C 3.44Å; M350-G358 WeakPolarHBondContact O-CA 3.45Å; M350-V359 PolarHBondContact N-O 3.12Å; M350-V359 PolarHBondContact O-N 2.75Å
351W88.5Confident91.3Very high19 Ų1920.5 Ų20.57%0.07211%0.109CC..EExtended strand (participates in β ladder)trans-135.5151.216978.892.8000109.5M337 D353 Q357 F360 L381M337-W351 HydrophobicContact CB-CE3 3.86Å; M337-W351 HydrophobicContact CB-CH2 4.44Å; M337-W351 HydrophobicContact CB-CZ3 3.43Å; M337-W351 VanDerWaalsContact CB-CZ3 3.43Å; M337-W351 HydrophobicContact CG-CE3 4.2Å; M337-W351 HydrophobicContact CG-CZ3 4.03Å; M337-W351 HydrophobicContact SD-CD2 3.88Å; M337-W351 HydrophobicContact SD-CE3 3.28Å; M337-W351 HydrophobicContact SD-CH2 4.07Å; M337-W351 HydrophobicContact SD-CZ3 3.41Å; M337-W351 WeakPolarHBondContact SD-CZ3 3.47Å; W351-D353 PolarHBondContact NE1-OD1 2.88Å; W351-Q357 VanDerWaalsContact CA-O 3.28Å; W351-Q357 WeakPolarHBondContact CA-O 3.42Å; W351-Q357 WeakPolarHBondContact CB-O 3.37Å; W351-F360 HydrophobicContact CB-CE2 4.14Å; W351-F360 HydrophobicContact CD2-CZ 4.36Å; W351-F360 HydrophobicContact CE3-CE1 4.5Å; W351-F360 AromaticContact CE3-CE2 3.91Å; W351-F360 HydrophobicContact CE3-CE2 3.91Å; W351-F360 AromaticContact CE3-CZ 3.39Å; W351-F360 HydrophobicContact CE3-CZ 3.39Å; W351-F360 AromaticContact CZ3-CZ 3.76Å; W351-F360 HydrophobicContact CZ3-CZ 3.76Å; W351-L381 HydrophobicContact CD2-CB 4.12Å; W351-L381 HydrophobicContact CD2-CD2 4.05Å; W351-L381 HydrophobicContact CE3-CD2 4.16Å; W351-L381 HydrophobicContact CG-CB 4.13Å; W351-L381 HydrophobicContact CG-CD2 4.44Å; W351-L381 HydrophobicContact CZ2-CB 4.1Å; W351-L381 HydrophobicContact CZ2-CD2 4.4Å; W351-L381 HydrophobicContact CZ3-CD2 4.37Å
352D83.1Confident91.4Very high0 Ų020.3 Ų20.30%011%0.108CC..  trans-103.2139.1170.473-66.2000110.6T65 V66 I354 L355 G356 Q357T65-D352 VanDerWaalsContact OG1-CA 3.26Å; T65-D352 WeakPolarHBondContact OG1-CA 3.27Å; T65-D352 WeakPolarHBondContact OG1-CB 3.26Å; V66-D352 HydrophobicContact CG2-CB 4.01Å; D352-I354 PolarHBondContact OD2-N 2.98Å; D352-L355 PolarHBondContact OD2-N 3.36Å; D352-G356 WeakPolarHBondContact O-CA 3.27Å; D352-G356 PolarHBondContact O-N 2.95Å; D352-G356 PolarHBondContact OD2-N 3.47Å; D352-Q357 PolarHBondContact N-O 3.13Å; D352-Q357 VanDerWaalsContact OD1-C 3.27Å; D352-Q357 WeakPolarHBondContact OD1-CA 3.33Å; D352-Q357 WeakPolarHBondContact OD1-CB 3.34Å; D352-Q357 WeakPolarHBondContact OD1-CG 3.4Å; D352-Q357 PolarHBondContact OD1-N 2.98Å
353D74Confident91.4Very high38 Ų3819 Ų1920%0.20310%0.099CC..THydrogen-bonded Turntrans-898.7172.5-56.3-64.4000112R327 W351 S380R327-D353 IonicContact CZ-OD2 3.87Å; R327-D353 IonicContact NH1-OD1 3.72Å; R327-D353 PolarHBondContact NH1-OD1 3.17Å; R327-D353 IonicContact NH1-OD2 3.16Å; R327-D353 PolarHBondContact NH1-OD2 3.45Å; R327-D353 IonicContact NH2-OD2 3.3Å; W351-D353 PolarHBondContact NE1-OD1 2.88Å; D353-S380 WeakPolarHBondContact OD1-CA 3.45Å
354I73.8Confident91.3Very high15 Ų1522.4 Ų22.48%0.07712%0.116CC..THydrogen-bonded Turntrans-85.9-61-178-58.8-172.3000109.6F64 L253 Y254 D352 A376F64-I354 HydrophobicContact CB-CD1 4.01Å; F64-I354 HydrophobicContact CD1-CD1 4Å; F64-I354 HydrophobicContact CD1-CG2 4.47Å; F64-I354 HydrophobicContact CG-CD1 4.15Å; F64-I354 HydrophobicContact CG-CG2 4.45Å; L253-I354 HydrophobicContact CD2-CD1 3.85Å; L253-I354 HydrophobicContact CG-CD1 4.06Å; Y254-I354 HydrophobicContact CD1-CD1 4.3Å; Y254-I354 HydrophobicContact CD1-CG2 3.92Å; Y254-I354 HydrophobicContact CE1-CB 4.32Å; Y254-I354 HydrophobicContact CE1-CD1 3.77Å; Y254-I354 HydrophobicContact CE1-CG1 3.79Å; Y254-I354 HydrophobicContact CE1-CG2 3.82Å; D352-I354 PolarHBondContact OD2-N 2.98Å; I354-A376 WeakPolarHBondContact O-CB 3.43Å
355L79.8Confident91.3Very high0 Ų017.4 Ų17.40%09%0.089CC..THydrogen-bonded Turntrans-100.8-28.8177.4-64.1-166.4000112.4F64 T205 D352 Q357 T373 A376 H377F64-L355 HydrophobicContact CD2-CD1 4.04Å; F64-L355 HydrophobicContact CD2-CG 4.08Å; F64-L355 HydrophobicContact CE2-CD1 3.51Å; F64-L355 HydrophobicContact CE2-CG 3.8Å; T205-L355 HydrophobicContact CG2-CD1 3.98Å; D352-L355 PolarHBondContact OD2-N 3.36Å; L355-Q357 HydrophobicContact CB-CG 3.93Å; L355-T373 HydrophobicContact CB-CG2 4.19Å; L355-T373 WeakPolarHBondContact CD1-O 3.3Å; L355-A376 HydrophobicContact CD2-CB 3.79Å; L355-H377 PolarHBondContact O-N 3.27Å
356G83.2Confident91.2Very high4 Ų417.6 Ų17.64%0.0419%0.089CC..  trans93.830.8-172.900000112.5D352 Y371D352-G356 WeakPolarHBondContact O-CA 3.27Å; D352-G356 PolarHBondContact O-N 2.95Å; D352-G356 PolarHBondContact OD2-N 3.47Å; G356-Y371 WeakPolarHBondContact O-CD1 3.39Å; G356-Y371 WeakPolarHBondContact O-CE1 3.5Å
357Q90.6Very high91.2Very high0 Ų014.9 Ų14.90%08%0.075CC..  trans-87.8161173.6-42.4172.792.400109Q62 W351 D352 L355 Y371 T373Q62-Q357 PolarHBondContact O-NE2 3.36Å; W351-Q357 VanDerWaalsContact CA-O 3.28Å; W351-Q357 WeakPolarHBondContact CA-O 3.42Å; W351-Q357 WeakPolarHBondContact CB-O 3.37Å; D352-Q357 PolarHBondContact N-O 3.13Å; D352-Q357 VanDerWaalsContact OD1-C 3.27Å; D352-Q357 WeakPolarHBondContact OD1-CA 3.33Å; D352-Q357 WeakPolarHBondContact OD1-CB 3.34Å; D352-Q357 WeakPolarHBondContact OD1-CG 3.4Å; D352-Q357 PolarHBondContact OD1-N 2.98Å; L355-Q357 HydrophobicContact CB-CG 3.93Å; Q357-Y371 WeakPolarHBondContact CA-O 3.33Å; Q357-Y371 WeakPolarHBondContact CB-O 3.34Å; Q357-T373 HydrophobicContact CG-CG2 3.75Å; Q357-T373 PolarHBondContact OE1-O 3.2Å
358G93.8Very high91.2Very high0 Ų014.7 Ų14.70%07%0.074CC..EExtended strand (participates in β ladder)trans-178.7166.817700000113.8M350 A370 Y371M350-G358 CarbonylContact O-C 3.44Å; M350-G358 WeakPolarHBondContact O-CA 3.45Å; G358-A370 CarbonylContact O-C 3.44Å; G358-A370 VanDerWaalsContact O-CA 3.31Å; G358-A370 WeakPolarHBondContact O-CA 3.39Å; G358-Y371 PolarHBondContact N-O 3.08Å; G358-Y371 PolarHBondContact O-N 3.17Å
359V97.5Very high91.2Very high0 Ų014.4 Ų14.40%07%0.073CC..EExtended strand (participates in β ladder)trans-145.4135.8173.855.50000108.9V66 V69 L278 F282 G349 M350 W369 A370V66-V359 HydrophobicContact CG1-CG1 4.08Å; V69-V359 HydrophobicContact CG1-CG1 4.19Å; L278-V359 HydrophobicContact CD1-CB 4.41Å; L278-V359 HydrophobicContact CD1-CG1 3.9Å; L278-V359 HydrophobicContact CD2-CB 3.75Å; L278-V359 HydrophobicContact CD2-CG1 3.83Å; L278-V359 HydrophobicContact CG-CB 3.71Å; L278-V359 HydrophobicContact CG-CG1 3.74Å; L278-V359 HydrophobicContact CG-CG2 4.07Å; F282-V359 HydrophobicContact CB-CG2 4.09Å; F282-V359 HydrophobicContact CD1-CG2 4.15Å; F282-V359 HydrophobicContact CD2-CB 4.3Å; F282-V359 HydrophobicContact CD2-CG1 3.91Å; F282-V359 HydrophobicContact CD2-CG2 3.37Å; F282-V359 HydrophobicContact CE1-CG1 4.5Å; F282-V359 HydrophobicContact CE1-CG2 4.47Å; F282-V359 HydrophobicContact CE2-CB 4.2Å; F282-V359 HydrophobicContact CE2-CG1 3.34Å; F282-V359 HydrophobicContact CE2-CG2 3.74Å; F282-V359 HydrophobicContact CG-CG2 3.59Å; F282-V359 HydrophobicContact CZ-CG1 3.69Å; F282-V359 HydrophobicContact CZ-CG2 4.28Å; G349-V359 CarbonylContact C-O 3.43Å; G349-V359 WeakPolarHBondContact CA-O 3.15Å; M350-V359 PolarHBondContact N-O 3.12Å; M350-V359 PolarHBondContact O-N 2.75Å; V359-W369 VanDerWaalsContact CA-O 3.32Å; V359-W369 WeakPolarHBondContact CA-O 3.43Å; V359-A370 HydrophobicContact CB-CB 4Å; V359-A370 HydrophobicContact CG2-CB 3.95Å
360F97.5Very high91.3Very high0 Ų014.4 Ų14.40%07%0.073CC..EExtended strand (participates in β ladder)trans-143.2147.8176.8-80.7-96.5000111.4T339 M347 F348 W351 T368 W369 L381T339-F360 HydrophobicContact CG2-CD1 4.36Å; T339-F360 HydrophobicContact CG2-CE1 3.67Å; T339-F360 HydrophobicContact CG2-CZ 3.9Å; M347-F360 HydrophobicContact CB-CB 4.2Å; M347-F360 HydrophobicContact CB-CD1 3.58Å; M347-F360 HydrophobicContact CB-CE1 4.29Å; M347-F360 HydrophobicContact CB-CG 4.23Å; F348-F360 CarbonylContact O-C 3.58Å; F348-F360 VanDerWaalsContact O-CA 3.32Å; F348-F360 WeakPolarHBondContact O-CA 3.26Å; W351-F360 HydrophobicContact CB-CE2 4.14Å; W351-F360 HydrophobicContact CD2-CZ 4.36Å; W351-F360 HydrophobicContact CE3-CE1 4.5Å; W351-F360 AromaticContact CE3-CE2 3.91Å; W351-F360 HydrophobicContact CE3-CE2 3.91Å; W351-F360 AromaticContact CE3-CZ 3.39Å; W351-F360 HydrophobicContact CE3-CZ 3.39Å; W351-F360 AromaticContact CZ3-CZ 3.76Å; W351-F360 HydrophobicContact CZ3-CZ 3.76Å; F360-T368 WeakPolarHBondContact O-CA 3.02Å; F360-W369 HydrophobicContact CB-CD2 4.36Å; F360-W369 HydrophobicContact CB-CH2 4.29Å; F360-W369 HydrophobicContact CB-CZ2 3.63Å; F360-W369 AromaticContact CD2-CH2 3.28Å; F360-W369 HydrophobicContact CD2-CH2 3.28Å; F360-W369 AromaticContact CD2-CZ2 3.31Å; F360-W369 HydrophobicContact CD2-CZ2 3.31Å; F360-W369 HydrophobicContact CD2-CZ3 4.14Å; F360-W369 AromaticContact CE2-CH2 3.92Å; F360-W369 HydrophobicContact CE2-CH2 3.92Å; F360-W369 HydrophobicContact CE2-CZ2 4.13Å; F360-W369 HydrophobicContact CG-CH2 4.15Å; F360-W369 AromaticContact CG-CZ2 3.72Å; F360-W369 HydrophobicContact CG-CZ2 3.72Å; F360-W369 PolarHBondContact N-O 2.99Å; F360-W369 PolarHBondContact O-N 2.98Å; F360-L381 HydrophobicContact CE2-CD2 3.98Å; F360-L381 HydrophobicContact CZ-CD2 4.02Å
361I97.6Very high91.4Very high0 Ų013.8 Ų13.80%07%0.07CC..EExtended strand (participates in β ladder)trans-111.2136.8164.8-175172.7000110.3F282 L285 E286 L313 M347 F348 P363 L367F282-I361 HydrophobicContact CD1-CB 4.13Å; F282-I361 HydrophobicContact CD1-CG2 3.91Å; L285-I361 HydrophobicContact CB-CD1 3.71Å; L285-I361 HydrophobicContact CB-CG2 4.34Å; L285-I361 HydrophobicContact CD1-CG2 4.04Å; E286-I361 HydrophobicContact CB-CD1 4.47Å; E286-I361 HydrophobicContact CG-CD1 3.61Å; L313-I361 HydrophobicContact CD2-CG2 4.18Å; M347-I361 CarbonylContact C-O 3.01Å; M347-I361 VanDerWaalsContact CA-O 3.31Å; M347-I361 WeakPolarHBondContact CA-O 3.41Å; F348-I361 HydrophobicContact CB-CG2 4.13Å; F348-I361 PolarHBondContact N-O 3.11Å; F348-I361 WeakPolarHBondContact O-CG2 3.48Å; F348-I361 PolarHBondContact O-N 3.32Å; I361-P363 WeakPolarHBondContact O-CD 3.41Å; I361-L367 CarbonylContact C-O 3.56Å; I361-L367 WeakPolarHBondContact CA-O 3.47Å
362D97Very high91.7Very high1 Ų112.9 Ų12.91%0.0057%0.067CC..EExtended strand (participates in β ladder)trans-104.498.8164.1-175.6-32.5000108.5T345 M347 Q364 L365 Q366 L367 Y395T345-D362 WeakPolarHBondContact CB-OD2 2.81Å; T345-D362 PolarHBondContact OG1-OD2 2.96Å; M347-D362 HydrophobicContact CG-CB 4.32Å; D362-Q364 PolarHBondContact O-N 3.41Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.1Å; D362-Q364 PolarHBondContact OD1-N 3.05Å; D362-Q364 VanDerWaalsContact OD1-N 3.13Å; D362-L365 HydrophobicContact CB-CB 4.43Å; D362-L365 PolarHBondContact O-N 3.45Å; D362-L365 PolarHBondContact OD1-N 2.83Å; D362-L365 WeakPolarHBondContact OD2-CD1 3.13Å; D362-Q366 WeakPolarHBondContact O-CA 3.17Å; D362-Q366 PolarHBondContact O-N 3.06Å; D362-L367 HydrophobicContact CB-CB 4.26Å; D362-L367 PolarHBondContact N-O 3.19Å; D362-L367 PolarHBondContact O-N 2.69Å; D362-L367 VanDerWaalsContact O-N 3.09Å; D362-Y395 VanDerWaalsContact CB-OH 3.24Å; D362-Y395 WeakPolarHBondContact CB-OH 3.23Å; D362-Y395 WeakPolarHBondContact OD2-CE1 3.29Å; D362-Y395 PolarHBondContact OD2-OH 3.47Å
363P94.7Very high92.2Very high32 Ų3212.9 Ų12.921%0.2087%0.067CC..THydrogen-bonded Turntrans-69-23.3-175.227.2-35.3000112.8L313 L346 F348 I361L313-P363 HydrophobicContact CD1-CB 3.9Å; L313-P363 HydrophobicContact CD1-CG 4.16Å; L346-P363 WeakPolarHBondContact O-CD 3.33Å; F348-P363 HydrophobicContact CD2-CG 3.9Å; F348-P363 HydrophobicContact CE2-CG 3.7Å; I361-P363 WeakPolarHBondContact O-CD 3.41Å
364Q93.4Very high93.1Very high136 Ų13611.1 Ų11.164%0.6366%0.057SC*.THydrogen-bonded Turntrans-71.2-45.6178.1179.3175.8-18.400110.5T345 D362T345-Q364 HydrophobicContact CG2-CB 4.37Å; T345-Q364 VanDerWaalsContact CG2-CD 3.44Å; T345-Q364 HydrophobicContact CG2-CG 4.2Å; T345-Q364 VanDerWaalsContact CG2-OE1 3.31Å; D362-Q364 PolarHBondContact O-N 3.41Å; D362-Q364 WeakPolarHBondContact OD1-CB 3.1Å; D362-Q364 PolarHBondContact OD1-N 3.05Å; D362-Q364 VanDerWaalsContact OD1-N 3.13Å
365L94.3Very high93.6Very high32 Ų3211 Ų1117%0.1686%0.056CC..THydrogen-bonded Turntrans-86.4-10.5178.4-59.7-175.7000113.6Y34 K343 T345 D362 L367 Y395 I398Y34-L365 WeakPolarHBondContact CE2-O 3.47Å; K343-L365 HydrophobicContact CD-CD1 4.23Å; T345-L365 HydrophobicContact CG2-CG 4.37Å; D362-L365 HydrophobicContact CB-CB 4.43Å; D362-L365 PolarHBondContact O-N 3.45Å; D362-L365 PolarHBondContact OD1-N 2.83Å; D362-L365 WeakPolarHBondContact OD2-CD1 3.13Å; L365-L367 VanDerWaalsContact C-N 3.27Å; L365-L367 HydrophobicContact CB-CB 4.17Å; L365-Y395 HydrophobicContact CD1-CD1 3.87Å; L365-Y395 HydrophobicContact CD1-CE1 3.44Å; L365-Y395 VanDerWaalsContact CD1-CE1 3.44Å; L365-I398 HydrophobicContact CD1-CD1 4.08Å
366Q94Very high93.4Very high12 Ų1211.9 Ų11.96%0.0566%0.063CC..THydrogen-bonded Turntrans53.348-168.5-53.7-177.3-78.400110.8Y34 R35 D362Y34-Q366 CarbonylContact C-O 3.38Å; Y34-Q366 WeakPolarHBondContact CA-O 3.15Å; R35-Q366 HydrophobicContact CG-CB 4.09Å; R35-Q366 PolarHBondContact N-O 3.29Å; D362-Q366 WeakPolarHBondContact O-CA 3.17Å; D362-Q366 PolarHBondContact O-N 3.06Å
367L96.3Very high92.8Very high0 Ų012.9 Ų12.90%07%0.067CC..EExtended strand (participates in β ladder)trans-116.2126.3-179.2-179.578.3000108.5F9 V32 Y33 Y34 I361 D362 L365 V394 Y395 I398F9-L367 HydrophobicContact CE1-CD1 4.41Å; V32-L367 HydrophobicContact CG1-CD1 3.53Å; V32-L367 HydrophobicContact CG1-CG 4.46Å; Y33-L367 WeakPolarHBondContact O-CA 3.41Å; Y34-L367 HydrophobicContact CD2-CB 4.35Å; Y34-L367 HydrophobicContact CD2-CD1 3.94Å; Y34-L367 HydrophobicContact CG-CD1 4.37Å; I361-L367 CarbonylContact C-O 3.56Å; I361-L367 WeakPolarHBondContact CA-O 3.47Å; D362-L367 HydrophobicContact CB-CB 4.26Å; D362-L367 PolarHBondContact N-O 3.19Å; D362-L367 PolarHBondContact O-N 2.69Å; D362-L367 VanDerWaalsContact O-N 3.09Å; L365-L367 VanDerWaalsContact C-N 3.27Å; L365-L367 HydrophobicContact CB-CB 4.17Å; L367-V394 HydrophobicContact CD1-CG1 3.79Å; L367-V394 HydrophobicContact CD2-CG1 3.79Å; L367-V394 HydrophobicContact CG-CG1 4.3Å; L367-Y395 HydrophobicContact CD2-CD2 3.96Å; L367-Y395 HydrophobicContact CD2-CE1 4.13Å; L367-Y395 HydrophobicContact CD2-CE2 3.46Å; L367-Y395 VanDerWaalsContact CD2-CE2 3.46Å; L367-Y395 HydrophobicContact CD2-CG 4.49Å; L367-I398 HydrophobicContact CB-CD1 4.36Å; L367-I398 HydrophobicContact CD1-CD1 3.97Å; L367-I398 HydrophobicContact CD2-CD1 3.74Å; L367-I398 HydrophobicContact CG-CD1 4.23Å
368T97.6Very high90.9Very high0 Ų013.5 Ų13.50%07%0.072CC..EExtended strand (participates in β ladder)trans-119.8133172.5-57.80000108.5V32 Y33 A279 F282 E286 F360V32-T368 CarbonylContact C-O 3.59Å; V32-T368 VanDerWaalsContact CA-O 3.27Å; V32-T368 WeakPolarHBondContact CA-O 3.28Å; Y33-T368 PolarHBondContact N-O 2.93Å; Y33-T368 PolarHBondContact O-N 3.45Å; A279-T368 HydrophobicContact CB-CG2 4.18Å; A279-T368 WeakPolarHBondContact O-CG2 3.35Å; F282-T368 HydrophobicContact CB-CG2 3.46Å; F282-T368 VanDerWaalsContact CB-CG2 3.46Å; E286-T368 PolarHBondContact OE1-OG1 3.33Å; E286-T368 VanDerWaalsContact OE1-OG1 3.06Å; F360-T368 WeakPolarHBondContact O-CA 3.02Å
369W97.6Very high89.3Confident1 Ų115.4 Ų15.40%0.0048%0.079CC..EExtended strand (participates in β ladder)trans-129.8147.5171.759.7-97.6000110.2F30 S31 V32 M347 V359 F360 L381 L387 I391F30-W369 HydrophobicContact CE2-CB 4.25Å; F30-W369 HydrophobicContact CZ-CB 4.43Å; S31-W369 CarbonylContact O-C 3.55Å; S31-W369 WeakPolarHBondContact O-CA 3.17Å; V32-W369 HydrophobicContact CG2-CB 4.13Å; M347-W369 HydrophobicContact CE-CZ2 4.34Å; M347-W369 HydrophobicContact SD-CZ2 4.42Å; V359-W369 VanDerWaalsContact CA-O 3.32Å; V359-W369 WeakPolarHBondContact CA-O 3.43Å; F360-W369 HydrophobicContact CB-CD2 4.36Å; F360-W369 HydrophobicContact CB-CH2 4.29Å; F360-W369 HydrophobicContact CB-CZ2 3.63Å; F360-W369 AromaticContact CD2-CH2 3.28Å; F360-W369 HydrophobicContact CD2-CH2 3.28Å; F360-W369 AromaticContact CD2-CZ2 3.31Å; F360-W369 HydrophobicContact CD2-CZ2 3.31Å; F360-W369 HydrophobicContact CD2-CZ3 4.14Å; F360-W369 AromaticContact CE2-CH2 3.92Å; F360-W369 HydrophobicContact CE2-CH2 3.92Å; F360-W369 HydrophobicContact CE2-CZ2 4.13Å; F360-W369 HydrophobicContact CG-CH2 4.15Å; F360-W369 AromaticContact CG-CZ2 3.72Å; F360-W369 HydrophobicContact CG-CZ2 3.72Å; F360-W369 PolarHBondContact N-O 2.99Å; F360-W369 PolarHBondContact O-N 2.98Å; W369-L381 HydrophobicContact CH2-CD1 4.33Å; W369-L387 HydrophobicContact CE3-CD1 4.5Å; W369-L387 HydrophobicContact CH2-CD1 4.3Å; W369-L387 HydrophobicContact CH2-CD2 4.5Å; W369-L387 HydrophobicContact CZ3-CD1 3.87Å; W369-I391 HydrophobicContact CD2-CG1 4.21Å; W369-I391 HydrophobicContact CH2-CD1 3.56Å; W369-I391 HydrophobicContact CH2-CG1 4.11Å; W369-I391 HydrophobicContact CZ2-CD1 3.37Å; W369-I391 HydrophobicContact CZ2-CG1 3.77Å; W369-I391 HydrophobicContact CZ3-CD1 4.3Å; W369-I391 HydrophobicContact CZ3-CG1 4.49Å
370A98.1Very high87.2Confident0 Ų016.7 Ų16.70%09%0.088CC..EExtended strand (participates in β ladder)trans-137.4143.6170.200000110.4F30 S31 A275 L278 A279 G358 V359F30-A370 WeakPolarHBondContact CA-O 3.44Å; F30-A370 WeakPolarHBondContact CD2-O 3.36Å; S31-A370 PolarHBondContact N-O 3.17Å; S31-A370 PolarHBondContact O-N 2.98Å; A275-A370 HydrophobicContact CB-CB 4.21Å; A275-A370 WeakPolarHBondContact CB-O 3.44Å; A275-A370 VanDerWaalsContact O-CB 3.3Å; A275-A370 WeakPolarHBondContact O-CB 3.06Å; L278-A370 HydrophobicContact CB-CB 4.1Å; L278-A370 HydrophobicContact CD2-CB 4.2Å; L278-A370 HydrophobicContact CG-CB 4.21Å; A279-A370 HydrophobicContact CB-CB 3.68Å; G358-A370 CarbonylContact O-C 3.44Å; G358-A370 VanDerWaalsContact O-CA 3.31Å; G358-A370 WeakPolarHBondContact O-CA 3.39Å; V359-A370 HydrophobicContact CB-CB 4Å; V359-A370 HydrophobicContact CG2-CB 3.95Å
371Y96.5Very high85.1Confident0 Ų017 Ų170%09%0.089CC..EExtended strand (participates in β ladder)trans-133.9128.5177.8176.3-112.1000109.1E25 F30 G356 Q357 G358 T373 H377 I386 L387 L390E25-Y371 PolarHBondContact OE2-OH 3.38Å; F30-Y371 HydrophobicContact CB-CD2 4.24Å; F30-Y371 HydrophobicContact CD2-CD2 4.13Å; G356-Y371 WeakPolarHBondContact O-CD1 3.39Å; G356-Y371 WeakPolarHBondContact O-CE1 3.5Å; Q357-Y371 WeakPolarHBondContact CA-O 3.33Å; Q357-Y371 WeakPolarHBondContact CB-O 3.34Å; G358-Y371 PolarHBondContact N-O 3.08Å; G358-Y371 PolarHBondContact O-N 3.17Å; Y371-T373 HydrophobicContact CE1-CG2 3.81Å; Y371-H377 AromaticContact CE1-NE2 3.87Å; Y371-H377 AromaticContact CZ-NE2 3.84Å; Y371-H377 PolarHBondContact OH-NE2 3.02Å; Y371-I386 WeakPolarHBondContact OH-CG2 3.49Å; Y371-L387 HydrophobicContact CD1-CD1 3.86Å; Y371-L387 HydrophobicContact CG-CD1 3.96Å; Y371-L390 HydrophobicContact CD2-CD1 3.84Å; Y371-L390 HydrophobicContact CE2-CD1 3.78Å
372V95.9Very high83.2Confident0 Ų022.6 Ų22.60%012%0.12CC..EExtended strand (participates in β ladder)trans-133.5124.5-177172.20000107.3S28 S29 L63 A275 L278S28-V372 CarbonylContact C-O 3.54Å; S28-V372 VanDerWaalsContact CA-O 3.22Å; S28-V372 WeakPolarHBondContact CA-O 3.38Å; S28-V372 VanDerWaalsContact CB-O 3.25Å; S28-V372 WeakPolarHBondContact CB-O 3.41Å; S29-V372 PolarHBondContact N-O 3.49Å; S29-V372 PolarHBondContact O-N 3.39Å; L63-V372 HydrophobicContact CD2-CB 4.45Å; L63-V372 HydrophobicContact CD2-CG1 3.88Å; L63-V372 HydrophobicContact CD2-CG2 3.78Å; A275-V372 HydrophobicContact CB-CB 4.29Å; A275-V372 HydrophobicContact CB-CG2 4.13Å; L278-V372 HydrophobicContact CD2-CG2 4.01Å
373T94Very high81.8Confident0 Ų027.1 Ų27.10%014%0.139CC..EExtended strand (participates in β ladder)trans-132.6158.6-175.2-179.30000110.1E25 G27 S61 L355 Q357 Y371 H375E25-T373 PolarHBondContact OE1-OG1 3.01Å; E25-T373 VanDerWaalsContact OE2-CB 3.27Å; E25-T373 WeakPolarHBondContact OE2-CB 3.17Å; E25-T373 PolarHBondContact OE2-OG1 2.85Å; G27-T373 WeakPolarHBondContact O-CA 3.49Å; G27-T373 PolarHBondContact O-OG1 3.25Å; S61-T373 PolarHBondContact OG-O 2.82Å; S61-T373 VanDerWaalsContact OG-O 3.08Å; L355-T373 HydrophobicContact CB-CG2 4.19Å; L355-T373 WeakPolarHBondContact CD1-O 3.3Å; Q357-T373 HydrophobicContact CG-CG2 3.75Å; Q357-T373 PolarHBondContact OE1-O 3.2Å; Y371-T373 HydrophobicContact CE1-CG2 3.81Å; T373-H375 WeakPolarHBondContact CG2-O 3.18Å; T373-H375 PolarHBondContact OG1-N 3.41Å; T373-H375 VanDerWaalsContact OG1-N 3.09Å; T373-H375 PolarHBondContact OG1-O 2.9Å
374N91.5Very high81Confident0 Ų025.7 Ų25.70%013%0.13CC..SBendtrans-107.14.9169.971.1-27.6000112.8G27 Y46 V47 W55 A203 R204 T205 Y206G27-N374 VanDerWaalsContact CA-OD1 3.31Å; G27-N374 WeakPolarHBondContact CA-OD1 3.45Å; G27-N374 PolarHBondContact O-N 3.36Å; G27-N374 VanDerWaalsContact O-N 3.17Å; G27-N374 PolarHBondContact O-OD1 2.96Å; Y46-N374 PolarHBondContact O-ND2 3.23Å; V47-N374 PolarHBondContact O-ND2 3.39Å; V47-N374 VanDerWaalsContact O-ND2 3.09Å; W55-N374 HydrophobicContact CZ3-CB 4.01Å; A203-N374 HydrophobicContact CB-CB 3.65Å; R204-N374 VanDerWaalsContact O-CB 3.26Å; R204-N374 WeakPolarHBondContact O-CB 3.26Å; R204-N374 PolarHBondContact O-ND2 2.98Å; T205-N374 CarbonylContact C-O 3.48Å; T205-N374 VanDerWaalsContact CA-O 3.27Å; T205-N374 WeakPolarHBondContact CA-O 3.31Å; Y206-N374 PolarHBondContact N-O 3.28Å
375H85.6Confident80.3Confident14 Ų1423.2 Ų23.27%0.06512%0.117CC..BIsolated β-bridgetrans-117.3131.8177.9-68.779.3000110.7E25 L26 Y206 T373 H377E25-H375 IonicContact OE1-ND1 2.65Å; L26-H375 WeakPolarHBondContact CB-CE1 3.41Å; L26-H375 WeakPolarHBondContact CB-NE2 3.43Å; Y206-H375 AromaticContact CD2-CD2 3.55Å; Y206-H375 AromaticContact CD2-CE1 3.47Å; Y206-H375 VanDerWaalsContact CD2-CE1 3.47Å; Y206-H375 WeakPolarHBondContact CD2-CE1 3.38Å; Y206-H375 AromaticContact CD2-ND1 3.98Å; Y206-H375 AromaticContact CD2-NE2 3.2Å; Y206-H375 WeakPolarHBondContact CD2-NE2 3.37Å; Y206-H375 AromaticContact CE2-CE1 3.72Å; Y206-H375 AromaticContact CE2-NE2 3.59Å; Y206-H375 AromaticContact CG-CD2 3.74Å; Y206-H375 AromaticContact CG-NE2 3.7Å; T373-H375 WeakPolarHBondContact CG2-O 3.18Å; T373-H375 PolarHBondContact OG1-N 3.41Å; T373-H375 VanDerWaalsContact OG1-N 3.09Å; T373-H375 PolarHBondContact OG1-O 2.9Å; H375-H377 PolarHBondContact O-N 3.02Å
376A75.7Confident80Confident18 Ų1821.8 Ų21.815%0.14911%0.109CC..  trans-71.6116.2171.700000110.5Y206 A208 I354 L355 A378Y206-A376 WeakPolarHBondContact O-CB 3.46Å; Y206-A376 PolarHBondContact O-N 3.18Å; A208-A376 HydrophobicContact CB-CB 4.23Å; I354-A376 WeakPolarHBondContact O-CB 3.43Å; L355-A376 HydrophobicContact CD2-CB 3.79Å; A376-A378 PolarHBondContact O-N 2.82Å
377H68.7Low79.7Confident24 Ų2421.3 Ų21.311%0.11111%0.107CC..  trans-76.1-12.2165.5-51.5-43.2000111.5E25 L355 Y371 H375 R379 D384 I386E25-H377 IonicContact OE1-CE1 3.49Å; E25-H377 IonicContact OE2-CE1 2.62Å; E25-H377 PolarHBondContact OE2-CE1 3.3Å; E25-H377 IonicContact OE2-NE2 3.65Å; E25-H377 PolarHBondContact OE2-NE2 3.32Å; E25-H377 VanDerWaalsContact OE2-NE2 3.08Å; L355-H377 PolarHBondContact O-N 3.27Å; Y371-H377 AromaticContact CE1-NE2 3.87Å; Y371-H377 AromaticContact CZ-NE2 3.84Å; Y371-H377 PolarHBondContact OH-NE2 3.02Å; H375-H377 PolarHBondContact O-N 3.02Å; H377-R379 VanDerWaalsContact C-N 3.31Å; H377-R379 WeakPolarHBondContact O-CG 3.37Å; H377-R379 PolarHBondContact O-N 3.39Å; H377-D384 WeakPolarHBondContact CB-OD2 3.46Å; H377-D384 IonicContact CD2-OD2 3.99Å; H377-D384 PolarHBondContact CD2-OD2 2.87Å; H377-D384 VanDerWaalsContact CD2-OD2 3.3Å; H377-D384 IonicContact CG-OD2 3.52Å; H377-I386 VanDerWaalsContact CE1-CD1 3.49Å; H377-I386 WeakPolarHBondContact CE1-CD1 3.33Å; H377-I386 WeakPolarHBondContact ND1-CD1 3.23Å
378A52.6Low79.4Confident13 Ų1323.4 Ų23.411%0.10712%0.119CC..  trans57.335.2176.600000113.9A208 Y224 A376A208-A378 HydrophobicContact CB-CB 3.6Å; Y224-A378 WeakPolarHBondContact CD2-O 3.5Å; Y224-A378 HydrophobicContact CE2-CB 3.48Å; Y224-A378 VanDerWaalsContact CE2-CB 3.48Å; Y224-A378 WeakPolarHBondContact CE2-O 3.25Å; Y224-A378 WeakPolarHBondContact OH-CB 3.3Å; A376-A378 PolarHBondContact O-N 2.82Å
379R58.6Low79.2Confident40 Ų4024.7 Ų24.715%0.15113%0.128CC..SBendtrans-136.8150.2-178-65.2-177.1-170.5-149-0.8110.7D221 H377 K383 D384D221-R379 IonicContact OD2-CZ 3.41Å; D221-R379 IonicContact OD2-NE 3Å; D221-R379 IonicContact OD2-NH1 3.87Å; D221-R379 PolarHBondContact OD2-NH1 3.26Å; D221-R379 IonicContact OD2-NH2 3.07Å; H377-R379 VanDerWaalsContact C-N 3.31Å; H377-R379 WeakPolarHBondContact O-CG 3.37Å; H377-R379 PolarHBondContact O-N 3.39Å; R379-K383 HydrophobicContact CB-CB 4.11Å; R379-K383 WeakPolarHBondContact CD-O 3.5Å; R379-D384 HydrophobicContact CB-CB 4.32Å
380S53.1Low79.1Confident27 Ų2724.7 Ų24.719%0.18913%0.128CC..  trans-66.4154.9170.354.20000110.6D353 N382 K383 D384D353-S380 WeakPolarHBondContact OD1-CA 3.45Å; S380-N382 PolarHBondContact O-N 2.81Å; S380-N382 VanDerWaalsContact O-N 3.12Å; S380-K383 CarbonylContact O-C 3.47Å; S380-K383 WeakPolarHBondContact O-CA 3.02Å; S380-K383 PolarHBondContact O-N 2.95Å; S380-D384 PolarHBondContact O-N 3.07Å
381L53.4Low78.9Confident6 Ų625 Ų253%0.03113%0.129CC..G310 helixtrans-37.4-58.8180-174.765.9000113.8T339 W351 F360 W369 K383 D384 L387 N388 I391T339-L381 HydrophobicContact CG2-CD2 4.16Å; W351-L381 HydrophobicContact CD2-CB 4.12Å; W351-L381 HydrophobicContact CD2-CD2 4.05Å; W351-L381 HydrophobicContact CE3-CD2 4.16Å; W351-L381 HydrophobicContact CG-CB 4.13Å; W351-L381 HydrophobicContact CG-CD2 4.44Å; W351-L381 HydrophobicContact CZ2-CB 4.1Å; W351-L381 HydrophobicContact CZ2-CD2 4.4Å; W351-L381 HydrophobicContact CZ3-CD2 4.37Å; F360-L381 HydrophobicContact CE2-CD2 3.98Å; F360-L381 HydrophobicContact CZ-CD2 4.02Å; W369-L381 HydrophobicContact CH2-CD1 4.33Å; L381-K383 PolarHBondContact O-N 3.14Å; L381-D384 PolarHBondContact O-N 3.11Å; L381-D384 VanDerWaalsContact O-N 3.13Å; L381-L387 HydrophobicContact CD1-CD2 3.31Å; L381-L387 HydrophobicContact CD1-CG 3.89Å; L381-N388 PolarHBondContact O-ND2 3.41Å; L381-N388 PolarHBondContact O-OD1 3.23Å; L381-N388 VanDerWaalsContact O-OD1 3.08Å; L381-I391 HydrophobicContact CD1-CD1 4.14Å
382N59.5Low78.9Confident118 Ų11828.9 Ų28.963%0.63115%0.15SC*.G310 helixtrans-64.6-11.2-178.1-63.7-1.7000115.1S380 N388S380-N382 PolarHBondContact O-N 2.81Å; S380-N382 VanDerWaalsContact O-N 3.12Å; N382-N388 VanDerWaalsContact C-ND2 3.28Å; N382-N388 PolarHBondContact O-ND2 3.14Å
383K67Low78.9Confident97 Ų9729 Ų2942%0.42215%0.151SC..G310 helixtrans-114.7-7.3-179.4-63.9-172.7177.3-176.70112.9T223 R379 S380 L381 F385T223-K383 PolarHBondContact OG1-NZ 2.98Å; R379-K383 HydrophobicContact CB-CB 4.11Å; R379-K383 WeakPolarHBondContact CD-O 3.5Å; S380-K383 CarbonylContact O-C 3.47Å; S380-K383 WeakPolarHBondContact O-CA 3.02Å; S380-K383 PolarHBondContact O-N 2.95Å; L381-K383 PolarHBondContact O-N 3.14Å; K383-F385 PolarHBondContact O-N 3.39Å
384D76.9Confident79.1Confident1 Ų129 Ų291%0.00515%0.151CC..  trans-77.9101.7175.3-171.4-31.7000108.5H377 R379 S380 L381 I386 L387 N388H377-D384 WeakPolarHBondContact CB-OD2 3.46Å; H377-D384 IonicContact CD2-OD2 3.99Å; H377-D384 PolarHBondContact CD2-OD2 2.87Å; H377-D384 VanDerWaalsContact CD2-OD2 3.3Å; H377-D384 IonicContact CG-OD2 3.52Å; R379-D384 HydrophobicContact CB-CB 4.32Å; S380-D384 PolarHBondContact O-N 3.07Å; L381-D384 PolarHBondContact O-N 3.11Å; L381-D384 VanDerWaalsContact O-N 3.13Å; D384-I386 PolarHBondContact O-N 2.72Å; D384-I386 WeakPolarHBondContact OD1-CA 3.13Å; D384-I386 WeakPolarHBondContact OD1-CB 3.08Å; D384-I386 PolarHBondContact OD1-N 3.05Å; D384-L387 HydrophobicContact CB-CB 3.97Å; D384-L387 PolarHBondContact O-N 3.38Å; D384-L387 PolarHBondContact OD1-N 3.05Å; D384-N388 WeakPolarHBondContact O-CB 3.42Å; D384-N388 VanDerWaalsContact O-CG 3.24Å; D384-N388 PolarHBondContact O-N 3.33Å; D384-N388 PolarHBondContact O-ND2 3.29Å
385F80.3Confident79.4Confident85 Ų8529.1 Ų29.137%0.37315%0.151SC..Hα-helixtrans-67.3-24.4-177.768-86.9000112.5N24 K383 S389N24-F385 HydrophobicContact CB-CE2 3.97Å; N24-F385 HydrophobicContact CB-CZ 4.36Å; K383-F385 PolarHBondContact O-N 3.39Å; F385-S389 WeakPolarHBondContact O-CB 3.41Å; F385-S389 PolarHBondContact O-N 3.4Å; F385-S389 VanDerWaalsContact O-N 3.17Å; F385-S389 PolarHBondContact O-OG 3.31Å
386I87.1Confident79.9Confident1 Ų132.1 Ų32.11%0.00517%0.174CC..Hα-helixtrans-74.3-57176.8-61.5170.8000107.5Q19 N24 E25 Y371 H377 D384 N388 S389 L390Q19-I386 HydrophobicContact CB-CG2 4.43Å; Q19-I386 HydrophobicContact CG-CG2 4.15Å; N24-I386 HydrophobicContact CB-CD1 4.1Å; N24-I386 HydrophobicContact CB-CG1 4.27Å; N24-I386 VanDerWaalsContact O-CD1 3.28Å; N24-I386 WeakPolarHBondContact O-CD1 3.46Å; E25-I386 HydrophobicContact CB-CD1 4.3Å; E25-I386 HydrophobicContact CB-CG2 4.37Å; Y371-I386 WeakPolarHBondContact OH-CG2 3.49Å; H377-I386 VanDerWaalsContact CE1-CD1 3.49Å; H377-I386 WeakPolarHBondContact CE1-CD1 3.33Å; H377-I386 WeakPolarHBondContact ND1-CD1 3.23Å; D384-I386 PolarHBondContact O-N 2.72Å; D384-I386 WeakPolarHBondContact OD1-CA 3.13Å; D384-I386 WeakPolarHBondContact OD1-CB 3.08Å; D384-I386 PolarHBondContact OD1-N 3.05Å; I386-N388 PolarHBondContact O-N 2.86Å; I386-S389 PolarHBondContact O-N 3.47Å; I386-S389 PolarHBondContact O-OG 3.34Å; I386-L390 HydrophobicContact CG2-CD1 4.33Å; I386-L390 WeakPolarHBondContact O-CG 3.25Å; I386-L390 PolarHBondContact O-N 3.1Å
387L88.3Confident80.9Confident2 Ų232 Ų321%0.0117%0.172CC..Hα-helixtrans-63-44.1-177.4-173.751.9000111.9W369 Y371 L381 D384 S389 L390 I391W369-L387 HydrophobicContact CE3-CD1 4.5Å; W369-L387 HydrophobicContact CH2-CD1 4.3Å; W369-L387 HydrophobicContact CH2-CD2 4.5Å; W369-L387 HydrophobicContact CZ3-CD1 3.87Å; Y371-L387 HydrophobicContact CD1-CD1 3.86Å; Y371-L387 HydrophobicContact CG-CD1 3.96Å; L381-L387 HydrophobicContact CD1-CD2 3.31Å; L381-L387 HydrophobicContact CD1-CG 3.89Å; D384-L387 HydrophobicContact CB-CB 3.97Å; D384-L387 PolarHBondContact O-N 3.38Å; D384-L387 PolarHBondContact OD1-N 3.05Å; L387-S389 PolarHBondContact O-N 3.34Å; L387-L390 PolarHBondContact O-N 2.95Å; L387-I391 HydrophobicContact CD1-CD1 4.05Å; L387-I391 HydrophobicContact CD1-CG1 4.22Å; L387-I391 HydrophobicContact CG-CD1 3.84Å; L387-I391 HydrophobicContact CG-CG1 4.47Å; L387-I391 VanDerWaalsContact O-CG1 3.27Å; L387-I391 WeakPolarHBondContact O-CG1 3.42Å; L387-I391 PolarHBondContact O-N 2.68Å
388N89.7Confident82.2Confident44 Ų4431.1 Ų31.124%0.23517%0.168CC..Hα-helixtrans-58.7-45.6174.2-76.1-21000111.8L381 N382 D384 I386 L390 I391 D392L381-N388 PolarHBondContact O-ND2 3.41Å; L381-N388 PolarHBondContact O-OD1 3.23Å; L381-N388 VanDerWaalsContact O-OD1 3.08Å; N382-N388 VanDerWaalsContact C-ND2 3.28Å; N382-N388 PolarHBondContact O-ND2 3.14Å; D384-N388 WeakPolarHBondContact O-CB 3.42Å; D384-N388 VanDerWaalsContact O-CG 3.24Å; D384-N388 PolarHBondContact O-N 3.33Å; D384-N388 PolarHBondContact O-ND2 3.29Å; I386-N388 PolarHBondContact O-N 2.86Å; N388-L390 VanDerWaalsContact C-N 3.26Å; N388-L390 PolarHBondContact O-N 2.55Å; N388-I391 PolarHBondContact O-N 2.97Å; N388-D392 WeakPolarHBondContact O-CB 3.47Å; N388-D392 VanDerWaalsContact O-CG 3.24Å; N388-D392 PolarHBondContact O-N 3.31Å
389S92.9Very high83.8Confident27 Ų2739.3 Ų39.319%0.18920%0.201CC..Hα-helixtrans-61.1-36.9178.873.50000112.5Q19 F385 I386 L387 S393Q19-S389 PolarHBondContact NE2-OG 3.34Å; F385-S389 WeakPolarHBondContact O-CB 3.41Å; F385-S389 PolarHBondContact O-N 3.4Å; F385-S389 VanDerWaalsContact O-N 3.17Å; F385-S389 PolarHBondContact O-OG 3.31Å; I386-S389 PolarHBondContact O-N 3.47Å; I386-S389 PolarHBondContact O-OG 3.34Å; L387-S389 PolarHBondContact O-N 3.34Å; S389-S393 VanDerWaalsContact O-CB 3.23Å; S389-S393 WeakPolarHBondContact O-CB 3.31Å; S389-S393 PolarHBondContact O-OG 3.41Å; S389-S393 PolarHBondContact O-N 2.86Å
390L95.1Very high84.3Confident1 Ų149.2 Ų49.21%0.00525%0.249CC..Hα-helixtrans-67.4-48.9176.2-66.2176.1000110.5V15 Y16 F30 Y371 I386 L387 N388 S393 V394V15-L390 HydrophobicContact CG1-CD2 4.26Å; Y16-L390 HydrophobicContact CD2-CD1 4.22Å; Y16-L390 HydrophobicContact CD2-CD2 3.95Å; Y16-L390 HydrophobicContact CG-CD2 4.35Å; F30-L390 HydrophobicContact CD2-CD1 4.28Å; F30-L390 HydrophobicContact CE1-CB 4.36Å; F30-L390 HydrophobicContact CE2-CB 4.26Å; F30-L390 HydrophobicContact CG-CD1 4.36Å; F30-L390 HydrophobicContact CZ-CB 4.04Å; Y371-L390 HydrophobicContact CD2-CD1 3.84Å; Y371-L390 HydrophobicContact CE2-CD1 3.78Å; I386-L390 HydrophobicContact CG2-CD1 4.33Å; I386-L390 WeakPolarHBondContact O-CG 3.25Å; I386-L390 PolarHBondContact O-N 3.1Å; L387-L390 PolarHBondContact O-N 2.95Å; N388-L390 VanDerWaalsContact C-N 3.26Å; N388-L390 PolarHBondContact O-N 2.55Å; L390-S393 PolarHBondContact O-N 2.75Å; L390-S393 PolarHBondContact O-OG 2.89Å; L390-V394 WeakPolarHBondContact O-CG2 3.44Å; L390-V394 PolarHBondContact O-N 3Å
391I95.2Very high85.8Confident6 Ų650.3 Ų50.33%0.03125%0.252CS..Hα-helixtrans-59.5-52.4178.5-64.2165.1000110.1P342 W369 L381 L387 N388 S393 V394 Y395P342-I391 HydrophobicContact CG-CG2 3.91Å; W369-I391 HydrophobicContact CD2-CG1 4.21Å; W369-I391 HydrophobicContact CH2-CD1 3.56Å; W369-I391 HydrophobicContact CH2-CG1 4.11Å; W369-I391 HydrophobicContact CZ2-CD1 3.37Å; W369-I391 HydrophobicContact CZ2-CG1 3.77Å; W369-I391 HydrophobicContact CZ3-CD1 4.3Å; W369-I391 HydrophobicContact CZ3-CG1 4.49Å; L381-I391 HydrophobicContact CD1-CD1 4.14Å; L387-I391 HydrophobicContact CD1-CD1 4.05Å; L387-I391 HydrophobicContact CD1-CG1 4.22Å; L387-I391 HydrophobicContact CG-CD1 3.84Å; L387-I391 HydrophobicContact CG-CG1 4.47Å; L387-I391 VanDerWaalsContact O-CG1 3.27Å; L387-I391 WeakPolarHBondContact O-CG1 3.42Å; L387-I391 PolarHBondContact O-N 2.68Å; N388-I391 PolarHBondContact O-N 2.97Å; I391-S393 VanDerWaalsContact C-N 3.27Å; I391-S393 PolarHBondContact O-N 3.48Å; I391-V394 PolarHBondContact O-N 3.19Å; I391-V394 VanDerWaalsContact O-N 3.07Å; I391-Y395 HydrophobicContact CG2-CD2 3.74Å; I391-Y395 HydrophobicContact CG2-CE2 3.86Å; I391-Y395 WeakPolarHBondContact O-CD2 3.44Å; I391-Y395 PolarHBondContact O-N 3.28Å
392D95.8Very high87.6Confident82 Ų8252.6 Ų52.644%0.43926%0.264SS..Hα-helixtrans-55.2-43.5178.6-71.8-22000111.6P342 N388 V394 Y395 S396P342-D392 WeakPolarHBondContact CB-OD1 3.46Å; P342-D392 WeakPolarHBondContact CG-OD1 3.4Å; N388-D392 WeakPolarHBondContact O-CB 3.47Å; N388-D392 VanDerWaalsContact O-CG 3.24Å; N388-D392 PolarHBondContact O-N 3.31Å; D392-V394 PolarHBondContact O-N 3.13Å; D392-V394 VanDerWaalsContact C-N 3.35Å; D392-Y395 PolarHBondContact O-N 3.34Å; D392-S396 WeakPolarHBondContact O-CB 3.01Å; D392-S396 PolarHBondContact O-N 3.48Å
393S96.8Very high89.1Confident3 Ų349 Ų492%0.02124%0.243CC..Hα-helixtrans-63.5-38.8178.976.30000112.5A12 S389 L390 I391 S396 C397A12-S393 WeakPolarHBondContact CA-OG 3.5Å; A12-S393 WeakPolarHBondContact CB-OG 3.04Å; S389-S393 VanDerWaalsContact O-CB 3.23Å; S389-S393 WeakPolarHBondContact O-CB 3.31Å; S389-S393 PolarHBondContact O-OG 3.41Å; S389-S393 PolarHBondContact O-N 2.86Å; L390-S393 PolarHBondContact O-N 2.75Å; L390-S393 PolarHBondContact O-OG 2.89Å; I391-S393 VanDerWaalsContact C-N 3.27Å; I391-S393 PolarHBondContact O-N 3.48Å; S393-S396 PolarHBondContact O-OG 3.17Å; S393-C397 PolarHBondContact O-SG 3.07Å; S393-C397 VanDerWaalsContact O-SG 3.37Å
394V97.6Very high90.4Very high0 Ų046.2 Ų46.20%023%0.233CC..Hα-helixtrans-67.4-46.7176.3174.30000110.4F9 A12 F30 V32 L367 L390 I391 D392 S396 C397F9-V394 HydrophobicContact CD1-CG1 4.13Å; F9-V394 HydrophobicContact CE1-CG1 3.86Å; A12-V394 HydrophobicContact CB-CG2 3.79Å; F30-V394 HydrophobicContact CE1-CG2 3.81Å; F30-V394 HydrophobicContact CZ-CG2 3.71Å; V32-V394 HydrophobicContact CG1-CG1 3.82Å; V32-V394 HydrophobicContact CG2-CG1 4.32Å; V32-V394 HydrophobicContact CG2-CG2 3.74Å; L367-V394 HydrophobicContact CD1-CG1 3.79Å; L367-V394 HydrophobicContact CD2-CG1 3.79Å; L367-V394 HydrophobicContact CG-CG1 4.3Å; L390-V394 WeakPolarHBondContact O-CG2 3.44Å; L390-V394 PolarHBondContact O-N 3Å; I391-V394 PolarHBondContact O-N 3.19Å; I391-V394 VanDerWaalsContact O-N 3.07Å; D392-V394 PolarHBondContact O-N 3.13Å; D392-V394 VanDerWaalsContact C-N 3.35Å; V394-S396 VanDerWaalsContact C-N 3.32Å; V394-S396 PolarHBondContact O-N 3.44Å; V394-C397 WeakPolarHBondContact O-CB 3.46Å; V394-C397 PolarHBondContact O-N 3Å; V394-C397 VanDerWaalsContact O-N 3.14Å
395Y97.6Very high91.3Very high3 Ų349 Ų491%0.01225%0.247CC..Hα-helixtrans-65.9-32.7-179.8-86.2-95.2000112.9S341 P342 K343 M347 D362 L365 L367 I391 D392 C397 I398S341-Y395 WeakPolarHBondContact CB-OH 3.3Å; S341-Y395 WeakPolarHBondContact OG-CE1 2.97Å; P342-Y395 HydrophobicContact CB-CG 4.39Å; P342-Y395 HydrophobicContact CG-CD2 4.16Å; P342-Y395 HydrophobicContact CG-CG 4.08Å; K343-Y395 HydrophobicContact CB-CD1 4.09Å; K343-Y395 HydrophobicContact CD-CD1 4.16Å; K343-Y395 WeakPolarHBondContact CE-O 3.34Å; K343-Y395 HydrophobicContact CG-CD1 4.03Å; M347-Y395 WeakPolarHBondContact CG-OH 3.41Å; M347-Y395 HydrophobicContact SD-CE2 3.96Å; M347-Y395 PolarHBondContact SD-OH 2.86Å; D362-Y395 VanDerWaalsContact CB-OH 3.24Å; D362-Y395 WeakPolarHBondContact CB-OH 3.23Å; D362-Y395 WeakPolarHBondContact OD2-CE1 3.29Å; D362-Y395 PolarHBondContact OD2-OH 3.47Å; L365-Y395 HydrophobicContact CD1-CD1 3.87Å; L365-Y395 HydrophobicContact CD1-CE1 3.44Å; L365-Y395 VanDerWaalsContact CD1-CE1 3.44Å; L367-Y395 HydrophobicContact CD2-CD2 3.96Å; L367-Y395 HydrophobicContact CD2-CE1 4.13Å; L367-Y395 HydrophobicContact CD2-CE2 3.46Å; L367-Y395 VanDerWaalsContact CD2-CE2 3.46Å; L367-Y395 HydrophobicContact CD2-CG 4.49Å; I391-Y395 HydrophobicContact CG2-CD2 3.74Å; I391-Y395 HydrophobicContact CG2-CE2 3.86Å; I391-Y395 WeakPolarHBondContact O-CD2 3.44Å; I391-Y395 PolarHBondContact O-N 3.28Å; D392-Y395 PolarHBondContact O-N 3.34Å; Y395-C397 PolarHBondContact O-N 2.99Å; Y395-I398 PolarHBondContact O-N 3.01Å
396S97Very high92Very high77 Ų7746.6 Ų46.654%0.53824%0.239SC..Hα-helixtrans-64.7-23.5174.176.30000113.8H11 D392 S393 V394 I398H11-S396 PolarHBondContact CD2-OG 3.38Å; D392-S396 WeakPolarHBondContact O-CB 3.01Å; D392-S396 PolarHBondContact O-N 3.48Å; S393-S396 PolarHBondContact O-OG 3.17Å; V394-S396 VanDerWaalsContact C-N 3.32Å; V394-S396 PolarHBondContact O-N 3.44Å; S396-I398 VanDerWaalsContact C-N 3.28Å; S396-I398 PolarHBondContact O-N 3.07Å
397C96.6Very high92.3Very high16 Ų1649.9 Ų49.911%0.10826%0.255CS..THydrogen-bonded Turntrans-78.9-12.7177.8-70.60000112.7Q8 F9 S393 V394 Y395Q8-C397 HydrophobicContact CG-CB 4.43Å; Q8-C397 WeakPolarHBondContact CG-O 3.43Å; Q8-C397 PolarHBondContact NE2-O 3.23Å; Q8-C397 WeakPolarHBondContact O-CB 3.37Å; Q8-C397 PolarHBondContact O-SG 2.91Å; F9-C397 HydrophobicContact CD1-CB 3.62Å; F9-C397 HydrophobicContact CE1-CB 3.83Å; F9-C397 HydrophobicContact CG-CB 4.19Å; S393-C397 PolarHBondContact O-SG 3.07Å; S393-C397 VanDerWaalsContact O-SG 3.37Å; V394-C397 WeakPolarHBondContact O-CB 3.46Å; V394-C397 PolarHBondContact O-N 3Å; V394-C397 VanDerWaalsContact O-N 3.14Å; Y395-C397 PolarHBondContact O-N 2.99Å
398I94.4Very high92.7Very high5 Ų553.5 Ų53.53%0.02627%0.274CS..SBendtrans-91.9112.3-179-58.2173.9000108.3F9 Y34 K343 L365 L367 Y395 S396F9-I398 HydrophobicContact CE1-CG1 4.13Å; F9-I398 HydrophobicContact CZ-CG1 4.1Å; Y34-I398 HydrophobicContact CD2-CD1 4.33Å; Y34-I398 HydrophobicContact CE2-CD1 4.11Å; Y34-I398 HydrophobicContact CE2-CG1 4.27Å; Y34-I398 HydrophobicContact CE2-CG2 4.42Å; K343-I398 WeakPolarHBondContact CE-O 3.49Å; K343-I398 PolarHBondContact NZ-O 3.22Å; L365-I398 HydrophobicContact CD1-CD1 4.08Å; L367-I398 HydrophobicContact CB-CD1 4.36Å; L367-I398 HydrophobicContact CD1-CD1 3.97Å; L367-I398 HydrophobicContact CD2-CD1 3.74Å; L367-I398 HydrophobicContact CG-CD1 4.23Å; Y395-I398 PolarHBondContact O-N 3.01Å; S396-I398 VanDerWaalsContact C-N 3.28Å; S396-I398 PolarHBondContact O-N 3.07Å
399K86.5Confident92.9Very high185 Ų18554.3 Ų54.380%0.80428%0.277SS*.  trans-64.3143172.1-62.8-176.5179.2-177.30109.5
400E69.2Low92.9Very high247 Ų24756.8 Ų56.8100%1.15429%0.285SS*.  trans-59.70175.8-68.8-179172.700112.9

Retrieved 400 of 400 residues in 512.6 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).