G4VC76_SCHMA Loading...

small monomeric GTPase

AlphaFold DB , UniProt , Accession G4VC76, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 195 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M41.8Very low76.7Confident233 Ų23393.4 Ų93.4100%1.14848%0.477SS*.  0113.70-62.4177.3-158.800105.2D3M1-D3 PolarHBondContact O-N 3.1Å; M1-D3 VanDerWaalsContact O-N 3.1Å
2T49.8Very low78.6Confident134 Ų13485.6 Ų85.682%0.82244%0.437SS*.  trans-70.7102.9172.946.10000105.6N4T2-N4 PolarHBondContact O-N 2.88Å
3D53.7Low80.1Confident139 Ų13979 Ų7974%0.74340%0.404SS*.  trans-55.5109168.2-85.8-29.5000106.3M1 L5M1-D3 PolarHBondContact O-N 3.1Å; M1-D3 VanDerWaalsContact O-N 3.1Å; D3-L5 PolarHBondContact O-N 2.79Å
4N59.6Low81.5Confident155 Ų15573.4 Ų73.483%0.82938%0.375SS*.  trans-74.383.1177.6-145.124.4000104.9T2 R6T2-N4 PolarHBondContact O-N 2.88Å; N4-R6 PolarHBondContact O-N 3.21Å
5L66Low82.6Confident65 Ų6569.8 Ų69.834%0.3436%0.357SS..PPolyproline II helixtrans-47.3126.9-178.2-76.1163.9000108.3D3 T7 P54D3-L5 PolarHBondContact O-N 2.79Å; L5-T7 PolarHBondContact O-N 3.25Å; L5-P54 HydrophobicContact CD2-CB 3.48Å; L5-P54 VanDerWaalsContact CD2-CB 3.48Å; L5-P54 HydrophobicContact CD2-CG 3.47Å; L5-P54 VanDerWaalsContact CD2-CG 3.47Å; L5-P54 VanDerWaalsContact CD2-O 3.24Å; L5-P54 WeakPolarHBondContact CD2-O 3.04Å
6R87.1Confident83.4Confident180 Ų18067.1 Ų67.168%0.67935%0.352SS*.EExtended strand (participates in β ladder)trans-65.7122.1175.5-70.4-178.5-179-178.81.7107.6N4 Y55 T56N4-R6 PolarHBondContact O-N 3.21Å; R6-Y55 HydrophobicContact CB-CD1 3.63Å; R6-Y55 HydrophobicContact CB-CE1 3.57Å; R6-Y55 HydrophobicContact CG-CE1 4.36Å; R6-Y55 WeakPolarHBondContact O-CA 3.1Å; R6-Y55 WeakPolarHBondContact O-CD1 3.1Å; R6-T56 PolarHBondContact O-N 2.72Å
7T93.5Very high84.1Confident88 Ų8866.6 Ų66.654%0.5436%0.36SS..EExtended strand (participates in β ladder)trans-90.3132.4177.1-58.30000109.5L5 T56L5-T7 PolarHBondContact O-N 3.25Å; T7-T56 CarbonylContact C-O 3.46Å; T7-T56 VanDerWaalsContact CA-O 3.23Å; T7-T56 WeakPolarHBondContact CA-O 3.24Å; T7-T56 HydrophobicContact CG2-CG2 4.42Å
8I97.1Very high84.9Confident6 Ų662.9 Ų62.93%0.03134%0.34CS..EExtended strand (participates in β ladder)trans-105.9121.6166.5-61.5171.9000106.7Y55 T56 L57 G58 D80 V81 I177 A180 L181I8-Y55 HydrophobicContact CD1-CD1 3.94Å; I8-Y55 HydrophobicContact CD1-CG 4.45Å; I8-Y55 HydrophobicContact CG1-CD1 4.12Å; I8-T56 PolarHBondContact N-O 3.11Å; I8-L57 HydrophobicContact CB-CD1 4Å; I8-L57 HydrophobicContact CG2-CD1 3.83Å; I8-G58 PolarHBondContact O-N 2.9Å; I8-D80 WeakPolarHBondContact CA-OD2 3.49Å; I8-D80 HydrophobicContact CG2-CB 4.15Å; I8-V81 HydrophobicContact CG2-CG1 4.5Å; I8-I177 HydrophobicContact CD1-CG2 3.92Å; I8-A180 HydrophobicContact CG2-CB 3.57Å; I8-L181 HydrophobicContact CD1-CD1 4.15Å; I8-L181 HydrophobicContact CD1-CD2 3.88Å; I8-L181 HydrophobicContact CD1-CG 3.85Å; I8-L181 HydrophobicContact CG1-CD2 4.4Å
9K97.9Very high85.6Confident27 Ų2760.2 Ų60.212%0.11733%0.328CS..EExtended strand (participates in β ladder)trans-93.7115.9174.5177.9168175.6-178.40110.5V11 F60 S75 P77 D80 V81K9-V11 HydrophobicContact CG-CG2 4.37Å; K9-F60 HydrophobicContact CB-CE2 4.45Å; K9-F60 HydrophobicContact CD-CD2 4.19Å; K9-F60 HydrophobicContact CD-CE1 4.35Å; K9-F60 HydrophobicContact CD-CE2 3.82Å; K9-F60 HydrophobicContact CD-CZ 3.91Å; K9-F60 HydrophobicContact CG-CD2 3.75Å; K9-F60 HydrophobicContact CG-CE2 3.62Å; K9-F60 HydrophobicContact CG-CG 4.49Å; K9-F60 HydrophobicContact CG-CZ 4.24Å; K9-S75 WeakPolarHBondContact CE-O 3.42Å; K9-S75 PolarHBondContact NZ-O 2.86Å; K9-P77 PolarHBondContact NZ-O 2.88Å; K9-D80 PolarHBondContact N-OD2 3.24Å; K9-D80 PolarHBondContact O-N 2.85Å; K9-V81 PolarHBondContact O-N 3.02Å
10C98.7Very high86.2Confident0 Ų057.7 Ų57.70%031%0.314CS..EExtended strand (participates in β ladder)trans-111.3119.2174.8175.80000110L57 G58 L59 F60 V81C10-L57 HydrophobicContact CB-CD1 3.96Å; C10-G58 PolarHBondContact N-O 2.83Å; C10-L59 HydrophobicContact CB-CD2 3.96Å; C10-L59 WeakPolarHBondContact O-CA 3.24Å; C10-F60 PolarHBondContact O-N 2.91Å; C10-V81 VanDerWaalsContact CA-O 3.32Å; C10-V81 WeakPolarHBondContact CA-O 3.5Å; C10-V81 HydrophobicContact CB-CG1 3.8Å
11V98.8Very high86.7Confident0 Ų056.1 Ų56.10%031%0.306CS..EExtended strand (participates in β ladder)trans-103132175.8179.70000109.9K9 V13 F60 T62 Y76 T79 V81 Y82 L83K9-V11 HydrophobicContact CG-CG2 4.37Å; V11-V13 HydrophobicContact CG1-CG1 4.05Å; V11-F60 HydrophobicContact CB-CB 4.37Å; V11-F60 HydrophobicContact CG1-CB 4.46Å; V11-F60 HydrophobicContact CG2-CB 3.88Å; V11-F60 HydrophobicContact CG2-CG 4.32Å; V11-T62 HydrophobicContact CG1-CG2 3.84Å; V11-Y76 HydrophobicContact CG1-CD1 3.98Å; V11-Y76 HydrophobicContact CG1-CE1 3.9Å; V11-T79 HydrophobicContact CB-CG2 3.98Å; V11-T79 HydrophobicContact CG2-CG2 3.67Å; V11-T79 WeakPolarHBondContact CG2-OG1 3.37Å; V11-V81 PolarHBondContact N-O 2.87Å; V11-V81 VanDerWaalsContact N-O 3.08Å; V11-Y82 HydrophobicContact CB-CD1 3.71Å; V11-Y82 HydrophobicContact CB-CE1 3.68Å; V11-Y82 HydrophobicContact CG1-CD1 4.04Å; V11-Y82 HydrophobicContact CG1-CE1 3.87Å; V11-Y82 HydrophobicContact CG2-CE1 4.31Å; V11-Y82 CarbonylContact O-C 3.54Å; V11-Y82 VanDerWaalsContact O-CA 3.3Å; V11-Y82 WeakPolarHBondContact O-CA 3.5Å; V11-L83 PolarHBondContact O-N 2.92Å
12V98.8Very high89.4Confident0 Ų046.1 Ų46.10%026%0.259CS..EExtended strand (participates in β ladder)trans-106121.7-179.7-168.60000109.6K20 L24 F60 T62 L83V12-K20 HydrophobicContact CG1-CB 3.84Å; V12-K20 HydrophobicContact CG1-CD 3.99Å; V12-K20 HydrophobicContact CG1-CG 3.87Å; V12-L24 HydrophobicContact CB-CD1 4.42Å; V12-L24 HydrophobicContact CG2-CD1 4.01Å; V12-L24 HydrophobicContact CG2-CD2 3.8Å; V12-L24 HydrophobicContact CG2-CG 4.19Å; V12-F60 PolarHBondContact N-O 2.83Å; V12-T62 PolarHBondContact O-OG1 3.19Å; V12-L83 WeakPolarHBondContact CA-O 3.3Å; V12-L83 HydrophobicContact CB-CB 4.46Å; V12-L83 HydrophobicContact CG1-CB 4.11Å; V12-L83 HydrophobicContact CG2-CB 4.2Å; V12-L83 HydrophobicContact CG2-CD1 4.1Å; V12-L83 HydrophobicContact CG2-CG 4.47Å
13V98.8Very high91.7Very high0 Ų039.8 Ų39.80%022%0.22CC..EExtended strand (participates in β ladder)trans-126.9166.4-179.7-58.30000110.7V11 K20 Y76 Y82 L83 I84 C85 W101 I105V11-V13 HydrophobicContact CG1-CG1 4.05Å; V13-K20 VanDerWaalsContact C-CD 3.47Å; V13-Y76 HydrophobicContact CG1-CE1 3.86Å; V13-Y76 WeakPolarHBondContact CG1-OH 3.46Å; V13-Y82 HydrophobicContact CG1-CD1 4.39Å; V13-L83 PolarHBondContact N-O 3.46Å; V13-I84 HydrophobicContact CG2-CB 4.32Å; V13-I84 HydrophobicContact CG2-CG1 3.87Å; V13-I84 HydrophobicContact CG2-CG2 4.34Å; V13-C85 PolarHBondContact O-N 2.7Å; V13-W101 HydrophobicContact CB-CE3 3.86Å; V13-W101 HydrophobicContact CB-CZ3 4.18Å; V13-W101 HydrophobicContact CG2-CE3 4.23Å; V13-I105 HydrophobicContact CG1-CG2 4.45Å; V13-I105 HydrophobicContact CG2-CG2 3.93Å
14G98.8Very high93.8Very high0 Ų033.1 Ų33.10%018%0.184CC..EExtended strand (participates in β ladder)trans138.1165.8-173.800000111.7K20 G64 C85 W101G14-K20 PolarHBondContact O-NZ 2.61Å; G14-G64 WeakPolarHBondContact O-CA 3.46Å; G14-C85 WeakPolarHBondContact CA-O 3.36Å; G14-W101 WeakPolarHBondContact O-CH2 3.33Å; G14-W101 VanDerWaalsContact O-CZ2 3.24Å; G14-W101 WeakPolarHBondContact O-CZ2 3.4Å
15D98.5Very high95.5Very high20 Ų2027.5 Ų27.511%0.10715%0.154CC..SBendtrans-54.1163.3-176.7-8013.7000113.6V18 K20 S93 N96 W101D15-V18 HydrophobicContact CB-CG1 3.7Å; D15-V18 VanDerWaalsContact O-CG2 3.31Å; D15-V18 WeakPolarHBondContact O-CG2 3.48Å; D15-K20 PolarHBondContact O-NZ 2.87Å; D15-S93 VanDerWaalsContact OD2-CA 3.28Å; D15-S93 WeakPolarHBondContact OD2-CA 3.33Å; D15-N96 WeakPolarHBondContact OD1-CB 3.49Å; D15-N96 PolarHBondContact OD1-ND2 2.81Å; D15-N96 PolarHBondContact OD2-ND2 2.75Å; D15-W101 PolarHBondContact OD1-NE1 2.88Å
16G95.8Very high96.9Very high27 Ų2724.4 Ų24.428%0.27814%0.138SC..THydrogen-bonded Turntrans-55.9147167.700000111.5V18 G64G16-V18 PolarHBondContact O-N 3.07Å; G16-G64 PolarHBondContact N-O 3.31Å
17A95.6Very high97.4Very high59 Ų5917.7 Ų17.749%0.48811%0.113SC..THydrogen-bonded Turntrans57.914.3174.200000117.3G19 Y36 Q120A17-G19 PolarHBondContact O-N 2.81Å; A17-Y36 PolarHBondContact N-OH 2.81Å; A17-Q120 PolarHBondContact O-NE2 2.95Å; A17-Q120 VanDerWaalsContact O-NE2 3.11Å
18V97.9Very high97.5Very high0 Ų015.2 Ų15.20%010%0.097CC..SBendtrans-78-2.4171.9-54.90000113.2D15 G16 K20 C85 T119D15-V18 HydrophobicContact CB-CG1 3.7Å; D15-V18 VanDerWaalsContact O-CG2 3.31Å; D15-V18 WeakPolarHBondContact O-CG2 3.48Å; G16-V18 PolarHBondContact O-N 3.07Å; V18-K20 HydrophobicContact CG2-CD 4.4Å; V18-K20 HydrophobicContact CG2-CG 3.73Å; V18-C85 HydrophobicContact CG2-CB 3.86Å; V18-T119 VanDerWaalsContact O-CB 3.32Å; V18-T119 WeakPolarHBondContact O-CB 3.48Å; V18-T119 PolarHBondContact O-OG1 2.94Å
19G97.5Very high97.3Very high11 Ų1118.2 Ų18.211%0.11312%0.116CC..SBendtrans89.223.417600000116A17 T21 C22 L23A17-G19 PolarHBondContact O-N 2.81Å; G19-T21 PolarHBondContact O-N 3.08Å; G19-C22 PolarHBondContact O-N 2.92Å; G19-L23 WeakPolarHBondContact O-CB 3.47Å; G19-L23 PolarHBondContact O-N 3.3Å
20K98.2Very high97Very high10 Ų1022.6 Ų22.64%0.04314%0.141CC..Hα-helixtrans-54-51.2172.9-58-172.2-58.6-75.60112V12 V13 G14 D15 V18 L23 L24 T62 C85V12-K20 HydrophobicContact CG1-CB 3.84Å; V12-K20 HydrophobicContact CG1-CD 3.99Å; V12-K20 HydrophobicContact CG1-CG 3.87Å; V13-K20 VanDerWaalsContact C-CD 3.47Å; G14-K20 PolarHBondContact O-NZ 2.61Å; D15-K20 PolarHBondContact O-NZ 2.87Å; V18-K20 HydrophobicContact CG2-CD 4.4Å; V18-K20 HydrophobicContact CG2-CG 3.73Å; K20-L23 VanDerWaalsContact O-CB 3.28Å; K20-L23 WeakPolarHBondContact O-CB 3.39Å; K20-L23 PolarHBondContact O-N 3.41Å; K20-L24 WeakPolarHBondContact O-CG 3.27Å; K20-L24 PolarHBondContact O-N 2.8Å; K20-L24 VanDerWaalsContact O-N 3.08Å; K20-T62 WeakPolarHBondContact CE-O 3.23Å; K20-C85 HydrophobicContact CG-CB 3.96Å
21T97.2Very high96.7Very high25 Ų2529.9 Ų29.915%0.15317%0.172CC..Hα-helixtrans-64.9-43.9179.8-44.80000111.8G19 L23 L24 I25 T39 D61G19-T21 PolarHBondContact O-N 3.08Å; T21-L23 VanDerWaalsContact C-N 3.31Å; T21-L23 PolarHBondContact O-N 2.87Å; T21-L24 PolarHBondContact O-N 3.41Å; T21-I25 HydrophobicContact CG2-CD1 3.77Å; T21-I25 HydrophobicContact CG2-CG1 4.36Å; T21-I25 WeakPolarHBondContact O-CB 3.44Å; T21-I25 WeakPolarHBondContact O-CG1 3.45Å; T21-I25 PolarHBondContact O-N 2.93Å; T21-T39 PolarHBondContact OG1-OG1 3.46Å; T21-D61 VanDerWaalsContact CA-OD2 3.26Å; T21-D61 WeakPolarHBondContact CA-OD2 3.32Å; T21-D61 WeakPolarHBondContact CB-OD2 3.46Å; T21-D61 WeakPolarHBondContact CG2-OD2 3.48Å; T21-D61 PolarHBondContact OG1-OD2 3.49Å
22C97.2Very high96.2Very high22 Ų2233.6 Ų33.615%0.14919%0.189CC..Hα-helixtrans-60.2-41.2175.2-56.30000111.9G19 S26 F32 P33 A163G19-C22 PolarHBondContact O-N 2.92Å; C22-S26 WeakPolarHBondContact O-CB 3.35Å; C22-S26 PolarHBondContact O-N 3.42Å; C22-F32 HydrophobicContact CB-CD2 4.29Å; C22-F32 HydrophobicContact CB-CE2 3.71Å; C22-F32 HydrophobicContact CB-CZ 4.37Å; C22-P33 HydrophobicContact CB-CG 4.25Å; C22-A163 HydrophobicContact CB-CB 3.83Å; C22-A163 WeakPolarHBondContact O-CB 3.3Å
23L98.2Very high95.7Very high1 Ų135.1 Ų35.11%0.00520%0.198CC..Hα-helixtrans-57-50.7175.6-176.283000110.7G19 K20 T21 Y27 L83 C161 L169 F173G19-L23 WeakPolarHBondContact O-CB 3.47Å; G19-L23 PolarHBondContact O-N 3.3Å; K20-L23 VanDerWaalsContact O-CB 3.28Å; K20-L23 WeakPolarHBondContact O-CB 3.39Å; K20-L23 PolarHBondContact O-N 3.41Å; T21-L23 VanDerWaalsContact C-N 3.31Å; T21-L23 PolarHBondContact O-N 2.87Å; L23-Y27 WeakPolarHBondContact O-CB 3.44Å; L23-Y27 PolarHBondContact O-N 2.96Å; L23-L83 HydrophobicContact CD2-CD1 4.09Å; L23-C161 WeakPolarHBondContact CD1-SG 3.46Å; L23-L169 HydrophobicContact CD1-CD1 3.32Å; L23-L169 HydrophobicContact CG-CD1 3.96Å; L23-F173 HydrophobicContact CD2-CE2 4.48Å; L23-F173 HydrophobicContact CD2-CZ 4.03Å; L23-F173 HydrophobicContact CG-CE2 4.1Å; L23-F173 HydrophobicContact CG-CZ 3.95Å
24L98Very high94.9Very high0 Ų043.1 Ų43.10%024%0.238CC..Hα-helixtrans-66.8-48.1-178.4-67.1177.5000112.3V12 K20 T21 S26 Y27 T28 Y44 L59 D61 F173V12-L24 HydrophobicContact CB-CD1 4.42Å; V12-L24 HydrophobicContact CG2-CD1 4.01Å; V12-L24 HydrophobicContact CG2-CD2 3.8Å; V12-L24 HydrophobicContact CG2-CG 4.19Å; K20-L24 WeakPolarHBondContact O-CG 3.27Å; K20-L24 PolarHBondContact O-N 2.8Å; K20-L24 VanDerWaalsContact O-N 3.08Å; T21-L24 PolarHBondContact O-N 3.41Å; L24-S26 PolarHBondContact O-N 2.98Å; L24-Y27 PolarHBondContact O-N 3.46Å; L24-T28 WeakPolarHBondContact O-CB 3.5Å; L24-T28 VanDerWaalsContact O-CG2 3.3Å; L24-T28 WeakPolarHBondContact O-CG2 3.46Å; L24-T28 PolarHBondContact O-N 2.93Å; L24-T28 PolarHBondContact O-OG1 2.88Å; L24-Y44 HydrophobicContact CB-CD2 4.27Å; L24-Y44 HydrophobicContact CB-CE2 4.31Å; L24-Y44 HydrophobicContact CD1-CD2 4.35Å; L24-Y44 HydrophobicContact CD1-CE2 4.4Å; L24-L59 HydrophobicContact CD2-CB 3.75Å; L24-L59 HydrophobicContact CD2-CD1 3.83Å; L24-L59 HydrophobicContact CD2-CD2 4.06Å; L24-L59 HydrophobicContact CD2-CG 4.08Å; L24-D61 HydrophobicContact CD1-CB 3.42Å; L24-D61 VanDerWaalsContact CD1-CB 3.42Å; L24-F173 HydrophobicContact CD2-CE1 3.97Å; L24-F173 HydrophobicContact CD2-CZ 3.94Å
25I95.2Very high94.2Very high36 Ų3649.9 Ų49.919%0.18527%0.274CS..Hα-helixtrans-63-45178.6-67.9175.3000110.5T21 Y27 T28 T29 P33 Y44T21-I25 HydrophobicContact CG2-CD1 3.77Å; T21-I25 HydrophobicContact CG2-CG1 4.36Å; T21-I25 WeakPolarHBondContact O-CB 3.44Å; T21-I25 WeakPolarHBondContact O-CG1 3.45Å; T21-I25 PolarHBondContact O-N 2.93Å; I25-Y27 VanDerWaalsContact C-N 3.32Å; I25-Y27 PolarHBondContact O-N 3.25Å; I25-T28 PolarHBondContact O-N 3.26Å; I25-T28 PolarHBondContact O-OG1 2.89Å; I25-T29 HydrophobicContact CG2-CG2 4.31Å; I25-T29 WeakPolarHBondContact O-CB 3.48Å; I25-T29 PolarHBondContact O-N 2.95Å; I25-T29 PolarHBondContact O-OG1 3.24Å; I25-P33 HydrophobicContact CB-CG 4.44Å; I25-P33 HydrophobicContact CD1-CB 4.26Å; I25-P33 HydrophobicContact CD1-CG 4.18Å; I25-P33 HydrophobicContact CG2-CB 4.45Å; I25-P33 HydrophobicContact CG2-CG 4.35Å; I25-Y44 HydrophobicContact CG1-CE1 4.16Å
26S96.9Very high93.1Very high0 Ų055.1 Ų55.10%029%0.293CS..Hα-helixtrans-62.9-40.4180-171.10000111.9C22 L24 N30 K31 A163 Q166 L169C22-S26 WeakPolarHBondContact O-CB 3.35Å; C22-S26 PolarHBondContact O-N 3.42Å; L24-S26 PolarHBondContact O-N 2.98Å; S26-N30 WeakPolarHBondContact O-CA 3.26Å; S26-N30 PolarHBondContact O-N 2.95Å; S26-K31 WeakPolarHBondContact CA-O 3.17Å; S26-A163 VanDerWaalsContact CB-O 3.32Å; S26-A163 WeakPolarHBondContact CB-O 3.2Å; S26-A163 PolarHBondContact OG-O 3.31Å; S26-Q166 PolarHBondContact OG-NE2 2.89Å; S26-L169 WeakPolarHBondContact OG-CD2 3.31Å
27Y97.1Very high92.5Very high40 Ų4059 Ų5916%0.15731%0.311CS..Hα-helixtrans-68.3-40.5177.5177.4-113.4000112.8L23 L24 I25 V46 V48 L57 L59 L169 F173L23-Y27 WeakPolarHBondContact O-CB 3.44Å; L23-Y27 PolarHBondContact O-N 2.96Å; L24-Y27 PolarHBondContact O-N 3.46Å; I25-Y27 VanDerWaalsContact C-N 3.32Å; I25-Y27 PolarHBondContact O-N 3.25Å; Y27-V46 HydrophobicContact CE1-CG2 3.75Å; Y27-V48 WeakPolarHBondContact OH-CG1 3.3Å; Y27-L57 HydrophobicContact CE1-CD2 4.08Å; Y27-L59 HydrophobicContact CD1-CD1 3.91Å; Y27-L59 HydrophobicContact CE1-CD1 4.25Å; Y27-L169 HydrophobicContact CD2-CG 4.5Å; Y27-F173 HydrophobicContact CD1-CD1 4.01Å; Y27-F173 AromaticContact CD1-CD2 3.65Å; Y27-F173 HydrophobicContact CD1-CD2 3.65Å; Y27-F173 HydrophobicContact CD1-CE1 4.06Å; Y27-F173 AromaticContact CD1-CE2 3.72Å; Y27-F173 HydrophobicContact CD1-CE2 3.72Å; Y27-F173 AromaticContact CD1-CG 3.81Å; Y27-F173 HydrophobicContact CD1-CG 3.81Å; Y27-F173 AromaticContact CD1-CZ 3.91Å; Y27-F173 HydrophobicContact CD1-CZ 3.91Å; Y27-F173 HydrophobicContact CD2-CB 4.43Å; Y27-F173 AromaticContact CD2-CD2 3.34Å; Y27-F173 HydrophobicContact CD2-CD2 3.34Å; Y27-F173 AromaticContact CD2-CE2 3.79Å; Y27-F173 HydrophobicContact CD2-CE2 3.79Å; Y27-F173 HydrophobicContact CD2-CG 4.02Å; Y27-F173 HydrophobicContact CE1-CB 4.03Å; Y27-F173 AromaticContact CE1-CD1 3.95Å; Y27-F173 HydrophobicContact CE1-CD1 3.95Å; Y27-F173 AromaticContact CE1-CD2 3.94Å; Y27-F173 HydrophobicContact CE1-CD2 3.94Å; Y27-F173 HydrophobicContact CE1-CE1 4.43Å; Y27-F173 HydrophobicContact CE1-CE2 4.43Å; Y27-F173 AromaticContact CE1-CG 3.68Å; Y27-F173 HydrophobicContact CE1-CG 3.68Å; Y27-F173 HydrophobicContact CE2-CB 3.86Å; Y27-F173 AromaticContact CE2-CD2 3.66Å; Y27-F173 HydrophobicContact CE2-CD2 3.66Å; Y27-F173 AromaticContact CE2-CG 3.91Å; Y27-F173 HydrophobicContact CE2-CG 3.91Å; Y27-F173 AromaticContact CG-CD2 3.33Å; Y27-F173 HydrophobicContact CG-CD2 3.33Å; Y27-F173 AromaticContact CG-CE2 3.34Å; Y27-F173 HydrophobicContact CG-CE2 3.34Å; Y27-F173 AromaticContact CG-CG 3.97Å; Y27-F173 HydrophobicContact CG-CG 3.97Å; Y27-F173 AromaticContact CG-CZ 3.97Å; Y27-F173 HydrophobicContact CG-CZ 3.97Å; Y27-F173 AromaticContact CZ-CD2 3.95Å; Y27-F173 AromaticContact CZ-CG 3.74Å
28T94.7Very high92.1Very high35 Ų3559 Ų5922%0.21531%0.306CS..Hα-helixtrans-82.8-28.2-175.556.20000113.9L24 I25 V46 L59L24-T28 WeakPolarHBondContact O-CB 3.5Å; L24-T28 VanDerWaalsContact O-CG2 3.3Å; L24-T28 WeakPolarHBondContact O-CG2 3.46Å; L24-T28 PolarHBondContact O-N 2.93Å; L24-T28 PolarHBondContact O-OG1 2.88Å; I25-T28 PolarHBondContact O-N 3.26Å; I25-T28 PolarHBondContact O-OG1 2.89Å; T28-V46 HydrophobicContact CG2-CG1 3.48Å; T28-V46 VanDerWaalsContact CG2-CG1 3.48Å; T28-L59 HydrophobicContact CG2-CD1 3.61Å
29T92.9Very high91.6Very high69 Ų6959.9 Ų59.942%0.42331%0.312SS..Hα-helixtrans-116.1-6.1-173.271.60000114.1I25 K31I25-T29 HydrophobicContact CG2-CG2 4.31Å; I25-T29 WeakPolarHBondContact O-CB 3.48Å; I25-T29 PolarHBondContact O-N 2.95Å; I25-T29 PolarHBondContact O-OG1 3.24Å; T29-K31 PolarHBondContact O-N 2.85Å; T29-K31 PolarHBondContact OG1-N 3.31Å
30N92.1Very high90.9Very high119 Ų11963 Ų6364%0.63633%0.329SS*.SBendtrans5528.4-169.7-64.7-46.4000113.6S26 Q166S26-N30 WeakPolarHBondContact O-CA 3.26Å; S26-N30 PolarHBondContact O-N 2.95Å; N30-Q166 PolarHBondContact O-NE2 3.32Å
31K91.8Very high90.3Very high153 Ų15366.4 Ų66.467%0.66534%0.343SS*.SBendtrans-136.4143.8179.4-65.1-179.4-176.6179.80111.6S26 T29S26-K31 WeakPolarHBondContact CA-O 3.17Å; T29-K31 PolarHBondContact O-N 2.85Å; T29-K31 PolarHBondContact OG1-N 3.31Å
32F89.4Confident90Very high79 Ų7968.8 Ų68.835%0.34636%0.355SS..  trans-86.2130170.7-171.8-98000110.3C22 A163 L164C22-F32 HydrophobicContact CB-CD2 4.29Å; C22-F32 HydrophobicContact CB-CE2 3.71Å; C22-F32 HydrophobicContact CB-CZ 4.37Å; F32-A163 HydrophobicContact CD2-CB 4.02Å; F32-A163 HydrophobicContact CE2-CB 4.01Å; F32-L164 HydrophobicContact CB-CD1 4.09Å; F32-L164 HydrophobicContact CD1-CD1 3.83Å; F32-L164 VanDerWaalsContact CD2-CA 3.48Å; F32-L164 HydrophobicContact CD2-CB 3.95Å; F32-L164 HydrophobicContact CD2-CD1 4.26Å; F32-L164 HydrophobicContact CE1-CD1 4.31Å; F32-L164 HydrophobicContact CE2-CB 4.04Å; F32-L164 HydrophobicContact CG-CB 4.35Å; F32-L164 HydrophobicContact CG-CD1 3.79Å
33P88Confident89.8Confident31 Ų3171.7 Ų71.720%0.20137%0.369CS..  trans-69.9131.2175.629.3-33.8000110.4C22 I25C22-P33 HydrophobicContact CB-CG 4.25Å; I25-P33 HydrophobicContact CB-CG 4.44Å; I25-P33 HydrophobicContact CD1-CB 4.26Å; I25-P33 HydrophobicContact CD1-CG 4.18Å; I25-P33 HydrophobicContact CG2-CB 4.45Å; I25-P33 HydrophobicContact CG2-CG 4.35Å
34M82.1Confident89.6Confident168 Ų16874.3 Ų74.383%0.82838%0.38SS*.SBendtrans-78.8-33.6-179-66.8-59.8-63.400112.8
35D83.5Confident89.4Confident143 Ų14377.9 Ų77.977%0.76541%0.409SS*.SBendtrans-100.4138.1-178.4-59.4-49.2000110.7
36Y76.6Confident89.4Confident129 Ų12977.5 Ų77.551%0.50641%0.408SS..  trans-99.9123.2174.5175.9-109.2000111A17 P38A17-Y36 PolarHBondContact N-OH 2.81Å; Y36-P38 HydrophobicContact CE1-CG 3.88Å
37V83.4Confident89.3Confident108 Ų10882 Ų8266%0.65544%0.436SS*.  trans-124.7126.9169.2-179.10000107.7T39V37-T39 PolarHBondContact O-N 2.79Å
38P87Confident89.1Confident60 Ų6081.1 Ų81.139%0.3943%0.434SS..  trans-59.9121.2174.9-23.332.9000111.8Y36Y36-P38 HydrophobicContact CE1-CG 3.88Å
39T87.3Confident89Confident19 Ų1985.3 Ų85.312%0.11745%0.453CS..  trans-73.2137.3-179.3-51.80000111.6T21 V37 D42 D61 A63T21-T39 PolarHBondContact OG1-OG1 3.46Å; V37-T39 PolarHBondContact O-N 2.79Å; T39-D42 HydrophobicContact CG2-CB 4.4Å; T39-D61 HydrophobicContact CG2-CB 4.28Å; T39-D61 PolarHBondContact OG1-OD2 2.62Å; T39-A63 WeakPolarHBondContact O-CA 3.3Å; T39-A63 WeakPolarHBondContact O-CB 3.45Å
40V82.7Confident88.8Confident76 Ų7683.8 Ų83.846%0.46144%0.444SS..SBendtrans-87.6-58.3164.7178.80000108.8A63 Y68V40-A63 WeakPolarHBondContact O-CB 3.41Å; V40-A63 PolarHBondContact O-N 3.11Å; V40-A63 VanDerWaalsContact O-N 3.15Å; V40-Y68 HydrophobicContact CB-CE1 4.23Å; V40-Y68 HydrophobicContact CG1-CD1 3.91Å; V40-Y68 HydrophobicContact CG1-CE1 3.62Å; V40-Y68 HydrophobicContact CG2-CE1 3.82Å
41F84.7Confident88.6Confident81 Ų8182.3 Ų82.336%0.35546%0.456SS..EExtended strand (participates in β ladder)trans-165.4138.6174.7172.8-104000109.3N43 F60 D61 S75F41-N43 WeakPolarHBondContact CE1-ND2 3.47Å; F41-N43 WeakPolarHBondContact CE2-OD1 3.34Å; F41-N43 WeakPolarHBondContact CZ-ND2 3.11Å; F41-N43 WeakPolarHBondContact CZ-OD1 3.37Å; F41-F60 HydrophobicContact CE2-CB 4.42Å; F41-F60 AromaticContact CE2-CD1 3.86Å; F41-F60 HydrophobicContact CE2-CD1 3.86Å; F41-F60 AromaticContact CZ-CD1 3.8Å; F41-F60 HydrophobicContact CZ-CD1 3.8Å; F41-F60 HydrophobicContact CZ-CE1 4.26Å; F41-D61 WeakPolarHBondContact CA-O 3.43Å; F41-D61 VanDerWaalsContact CD2-O 3.22Å; F41-D61 WeakPolarHBondContact CD2-O 3.26Å; F41-S75 VanDerWaalsContact CD2-OG 3.3Å; F41-S75 WeakPolarHBondContact CD2-OG 3.32Å; F41-S75 WeakPolarHBondContact CE2-OG 3.11Å
42D91.5Very high88.5Confident75 Ų7577.8 Ų77.840%0.40145%0.453SS..EExtended strand (participates in β ladder)trans-145.2150.3171.9-81-50.1000110.5T39 Y44 D61T39-D42 HydrophobicContact CG2-CB 4.4Å; D42-Y44 HydrophobicContact CB-CE2 3.76Å; D42-D61 HydrophobicContact CB-CB 4.19Å; D42-D61 PolarHBondContact N-O 2.66Å; D42-D61 WeakPolarHBondContact O-CB 3.29Å; D42-D61 PolarHBondContact O-N 2.81Å
43N92.5Very high88.5Confident84 Ų8480 Ų8045%0.44947%0.465SS..EExtended strand (participates in β ladder)trans-122.3134.2175.6-66-39.5000111.2F41 L59 F60F41-N43 WeakPolarHBondContact CE1-ND2 3.47Å; F41-N43 WeakPolarHBondContact CE2-OD1 3.34Å; F41-N43 WeakPolarHBondContact CZ-ND2 3.11Å; F41-N43 WeakPolarHBondContact CZ-OD1 3.37Å; N43-L59 CarbonylContact C-O 3.49Å; N43-L59 WeakPolarHBondContact CA-O 3.11Å; N43-F60 WeakPolarHBondContact OD1-CD1 3.26Å; N43-F60 WeakPolarHBondContact OD1-CE1 3.49Å; N43-F60 VanDerWaalsContact OD1-CG 3.3Å; N43-F60 WeakPolarHBondContact OD1-CG 3.33Å
44Y94.3Very high88.7Confident56 Ų5680.6 Ų80.622%0.2247%0.468CS..EExtended strand (participates in β ladder)trans-121.3154.7172.3-50.5-97.7000109L24 I25 D42 L59 D61L24-Y44 HydrophobicContact CB-CD2 4.27Å; L24-Y44 HydrophobicContact CB-CE2 4.31Å; L24-Y44 HydrophobicContact CD1-CD2 4.35Å; L24-Y44 HydrophobicContact CD1-CE2 4.4Å; I25-Y44 HydrophobicContact CG1-CE1 4.16Å; D42-Y44 HydrophobicContact CB-CE2 3.76Å; Y44-L59 PolarHBondContact N-O 3.07Å; Y44-L59 PolarHBondContact O-N 2.86Å; Y44-D61 HydrophobicContact CE2-CB 4.39Å
45A94.9Very high89.3Confident74 Ų7474 Ų7461%0.61243%0.434SS*.EExtended strand (participates in β ladder)trans-136.9134.8172.800000109.2T56 L57A45-T56 HydrophobicContact CB-CG2 4.25Å; A45-L57 WeakPolarHBondContact CA-O 3.4Å
46V94.9Very high89.9Confident29 Ų2968.6 Ų68.618%0.17641%0.407CS..EExtended strand (participates in β ladder)trans-133.1145.1173.3-66.20000110.3Y27 T28 V48 L57 L59Y27-V46 HydrophobicContact CE1-CG2 3.75Å; T28-V46 HydrophobicContact CG2-CG1 3.48Å; T28-V46 VanDerWaalsContact CG2-CG1 3.48Å; V46-V48 HydrophobicContact CG2-CG1 4.12Å; V46-L57 HydrophobicContact CG2-CB 4.05Å; V46-L57 HydrophobicContact CG2-CD2 4.38Å; V46-L57 PolarHBondContact N-O 2.83Å; V46-L57 VanDerWaalsContact N-O 3.07Å; V46-L57 PolarHBondContact O-N 3.34Å; V46-L59 HydrophobicContact CG2-CD1 4.5Å
47T94.1Very high90.8Very high95 Ų9562.4 Ų62.458%0.58338%0.383SS*.EExtended strand (participates in β ladder)trans-87.6126.4171.8-55.70000109.3P54 Y55T47-P54 HydrophobicContact CG2-CB 4.1Å; T47-Y55 CarbonylContact C-O 3.57Å; T47-Y55 WeakPolarHBondContact CA-O 2.96Å
48V93.3Very high91.5Very high20 Ų2057.6 Ų57.612%0.12135%0.354CS..EExtended strand (participates in β ladder)trans-123.3145.4179.2-62.90000110Y27 V46 V50 Y55 L57 I177Y27-V48 WeakPolarHBondContact OH-CG1 3.3Å; V46-V48 HydrophobicContact CG2-CG1 4.12Å; V48-V50 HydrophobicContact CG2-CG2 4.27Å; V48-Y55 PolarHBondContact N-O 2.87Å; V48-Y55 PolarHBondContact O-N 2.75Å; V48-L57 HydrophobicContact CG2-CB 4.33Å; V48-I177 HydrophobicContact CB-CD1 4.29Å; V48-I177 HydrophobicContact CG1-CD1 4.32Å; V48-I177 HydrophobicContact CG2-CD1 3.82Å
49M92.3Very high92.1Very high124 Ų12454.7 Ų54.761%0.61134%0.336SS*.EExtended strand (participates in β ladder)trans-96.3120.8177.3-59.6-54.8-62.900109.9G52 E53 P54M49-G52 WeakPolarHBondContact CE-O 2.91Å; M49-E53 WeakPolarHBondContact CA-O 3.41Å; M49-P54 HydrophobicContact CE-CB 4.21Å; M49-P54 HydrophobicContact SD-CB 3.75Å
50V89.3Confident92.6Very high37 Ų3755.9 Ų55.922%0.22434%0.339CS..EExtended strand (participates in β ladder)trans-122.8112178-171.40000109.1V48 G52 E53 Y55 I177 L181V48-V50 HydrophobicContact CG2-CG2 4.27Å; V50-G52 PolarHBondContact O-N 3.25Å; V50-E53 PolarHBondContact N-O 3.37Å; V50-E53 PolarHBondContact O-N 3.24Å; V50-E53 VanDerWaalsContact O-N 3.11Å; V50-Y55 HydrophobicContact CB-CD2 3.83Å; V50-Y55 HydrophobicContact CB-CE2 3.92Å; V50-Y55 HydrophobicContact CG2-CD2 3.89Å; V50-Y55 HydrophobicContact CG2-CE2 4.41Å; V50-Y55 HydrophobicContact CG2-CG 4.4Å; V50-I177 HydrophobicContact CG1-CG2 4.48Å; V50-I177 HydrophobicContact CG2-CG2 3.6Å; V50-L181 HydrophobicContact CB-CD1 4.33Å; V50-L181 HydrophobicContact CG1-CD1 3.7Å; V50-L181 HydrophobicContact CG2-CD1 4.35Å
51G87.5Confident93.3Very high87 Ų8752.2 Ų52.290%0.89732%0.317SS*.THydrogen-bonded Turntrans61.428-178.100000113.8E53G51-E53 VanDerWaalsContact C-N 3.32Å
52G88.9Confident93.9Very high58 Ų5848.5 Ų48.560%0.59830%0.301SS*.THydrogen-bonded Turntrans88.4-9.1-176.800000114.7M49 V50M49-G52 WeakPolarHBondContact CE-O 2.91Å; V50-G52 PolarHBondContact O-N 3.25Å
53E89.8Confident94.1Very high126 Ų12645 Ų4559%0.58928%0.283SS*.EExtended strand (participates in β ladder)trans-99.1137.5179.4-65.8-61143.900111.5M49 V50 G51 Y55M49-E53 WeakPolarHBondContact CA-O 3.41Å; V50-E53 PolarHBondContact N-O 3.37Å; V50-E53 PolarHBondContact O-N 3.24Å; V50-E53 VanDerWaalsContact O-N 3.11Å; G51-E53 VanDerWaalsContact C-N 3.32Å; E53-Y55 HydrophobicContact CB-CD2 4.49Å; E53-Y55 HydrophobicContact CB-CE2 3.93Å; E53-Y55 WeakPolarHBondContact O-CD2 3.11Å
54P92.7Very high94.1Very high43 Ų4341.6 Ų41.628%0.27927%0.267SS..EExtended strand (participates in β ladder)trans-78.8134.4177.431.5-33.4000111.7L5 T47 M49L5-P54 HydrophobicContact CD2-CB 3.48Å; L5-P54 VanDerWaalsContact CD2-CB 3.48Å; L5-P54 HydrophobicContact CD2-CG 3.47Å; L5-P54 VanDerWaalsContact CD2-CG 3.47Å; L5-P54 VanDerWaalsContact CD2-O 3.24Å; L5-P54 WeakPolarHBondContact CD2-O 3.04Å; T47-P54 HydrophobicContact CG2-CB 4.1Å; M49-P54 HydrophobicContact CE-CB 4.21Å; M49-P54 HydrophobicContact SD-CB 3.75Å
55Y93.8Very high94Very high29 Ų2942.3 Ų42.311%0.11427%0.272CS..EExtended strand (participates in β ladder)trans-125.1144.6174.3-75.9-102.6000110.1R6 I8 T47 V48 V50 E53 L181R6-Y55 HydrophobicContact CB-CD1 3.63Å; R6-Y55 HydrophobicContact CB-CE1 3.57Å; R6-Y55 HydrophobicContact CG-CE1 4.36Å; R6-Y55 WeakPolarHBondContact O-CA 3.1Å; R6-Y55 WeakPolarHBondContact O-CD1 3.1Å; I8-Y55 HydrophobicContact CD1-CD1 3.94Å; I8-Y55 HydrophobicContact CD1-CG 4.45Å; I8-Y55 HydrophobicContact CG1-CD1 4.12Å; T47-Y55 CarbonylContact C-O 3.57Å; T47-Y55 WeakPolarHBondContact CA-O 2.96Å; V48-Y55 PolarHBondContact N-O 2.87Å; V48-Y55 PolarHBondContact O-N 2.75Å; V50-Y55 HydrophobicContact CB-CD2 3.83Å; V50-Y55 HydrophobicContact CB-CE2 3.92Å; V50-Y55 HydrophobicContact CG2-CD2 3.89Å; V50-Y55 HydrophobicContact CG2-CE2 4.41Å; V50-Y55 HydrophobicContact CG2-CG 4.4Å; E53-Y55 HydrophobicContact CB-CD2 4.49Å; E53-Y55 HydrophobicContact CB-CE2 3.93Å; E53-Y55 WeakPolarHBondContact O-CD2 3.11Å; Y55-L181 HydrophobicContact CD1-CD2 4.36Å; Y55-L181 HydrophobicContact CE1-CD1 4.46Å; Y55-L181 HydrophobicContact CE1-CD2 3.65Å
56T96Very high93.8Very high30 Ų3045.5 Ų45.518%0.18428%0.275CS..EExtended strand (participates in β ladder)trans-90.6113.9168.8-61.50000108.5R6 T7 I8 A45R6-T56 PolarHBondContact O-N 2.72Å; T7-T56 CarbonylContact C-O 3.46Å; T7-T56 VanDerWaalsContact CA-O 3.23Å; T7-T56 WeakPolarHBondContact CA-O 3.24Å; T7-T56 HydrophobicContact CG2-CG2 4.42Å; I8-T56 PolarHBondContact N-O 3.11Å; A45-T56 HydrophobicContact CB-CG2 4.25Å
57L97.2Very high93.7Very high0 Ų050.9 Ų50.90%030%0.303CS..EExtended strand (participates in β ladder)trans-90.1104.8170.3-178.264.2000108.8I8 C10 Y27 A45 V46 V48 L59 F173 I177I8-L57 HydrophobicContact CB-CD1 4Å; I8-L57 HydrophobicContact CG2-CD1 3.83Å; C10-L57 HydrophobicContact CB-CD1 3.96Å; Y27-L57 HydrophobicContact CE1-CD2 4.08Å; A45-L57 WeakPolarHBondContact CA-O 3.4Å; V46-L57 HydrophobicContact CG2-CB 4.05Å; V46-L57 HydrophobicContact CG2-CD2 4.38Å; V46-L57 PolarHBondContact N-O 2.83Å; V46-L57 VanDerWaalsContact N-O 3.07Å; V46-L57 PolarHBondContact O-N 3.34Å; V48-L57 HydrophobicContact CG2-CB 4.33Å; L57-L59 HydrophobicContact CD1-CD2 4.26Å; L57-L59 HydrophobicContact CD2-CD2 3.74Å; L57-L59 HydrophobicContact CD2-CG 4.4Å; L57-L59 HydrophobicContact CG-CD2 3.67Å; L57-L59 HydrophobicContact CG-CG 4.16Å; L57-F173 HydrophobicContact CD2-CD1 4.11Å; L57-I177 HydrophobicContact CD1-CG1 4.26Å; L57-I177 HydrophobicContact CD2-CD1 4.13Å; L57-I177 HydrophobicContact CD2-CG1 4.16Å
58G97.9Very high93.7Very high6 Ų649.5 Ų49.56%0.06229%0.287CS..EExtended strand (participates in β ladder)trans-82.4121.2170.600000110.1I8 C10I8-G58 PolarHBondContact O-N 2.9Å; C10-G58 PolarHBondContact N-O 2.83Å
59L98.3Very high93.8Very high0 Ų051.4 Ų51.40%030%0.297CS..EExtended strand (participates in β ladder)trans-110.9118.7-176.8-59.7172.3000109.3C10 L24 Y27 T28 N43 Y44 V46 L57 F173C10-L59 HydrophobicContact CB-CD2 3.96Å; C10-L59 WeakPolarHBondContact O-CA 3.24Å; L24-L59 HydrophobicContact CD2-CB 3.75Å; L24-L59 HydrophobicContact CD2-CD1 3.83Å; L24-L59 HydrophobicContact CD2-CD2 4.06Å; L24-L59 HydrophobicContact CD2-CG 4.08Å; Y27-L59 HydrophobicContact CD1-CD1 3.91Å; Y27-L59 HydrophobicContact CE1-CD1 4.25Å; T28-L59 HydrophobicContact CG2-CD1 3.61Å; N43-L59 CarbonylContact C-O 3.49Å; N43-L59 WeakPolarHBondContact CA-O 3.11Å; Y44-L59 PolarHBondContact N-O 3.07Å; Y44-L59 PolarHBondContact O-N 2.86Å; V46-L59 HydrophobicContact CG2-CD1 4.5Å; L57-L59 HydrophobicContact CD1-CD2 4.26Å; L57-L59 HydrophobicContact CD2-CD2 3.74Å; L57-L59 HydrophobicContact CD2-CG 4.4Å; L57-L59 HydrophobicContact CG-CD2 3.67Å; L57-L59 HydrophobicContact CG-CG 4.16Å; L59-F173 HydrophobicContact CD1-CE1 4.28Å; L59-F173 HydrophobicContact CD2-CD1 3.98Å; L59-F173 HydrophobicContact CD2-CE1 3.66Å
60F98.3Very high93.8Very high43 Ų4356.6 Ų56.619%0.18931%0.309CS..EExtended strand (participates in β ladder)trans-110.6104.7-174.7-71.5-114.2000108.3K9 C10 V11 V12 F41 N43K9-F60 HydrophobicContact CB-CE2 4.45Å; K9-F60 HydrophobicContact CD-CD2 4.19Å; K9-F60 HydrophobicContact CD-CE1 4.35Å; K9-F60 HydrophobicContact CD-CE2 3.82Å; K9-F60 HydrophobicContact CD-CZ 3.91Å; K9-F60 HydrophobicContact CG-CD2 3.75Å; K9-F60 HydrophobicContact CG-CE2 3.62Å; K9-F60 HydrophobicContact CG-CG 4.49Å; K9-F60 HydrophobicContact CG-CZ 4.24Å; C10-F60 PolarHBondContact O-N 2.91Å; V11-F60 HydrophobicContact CB-CB 4.37Å; V11-F60 HydrophobicContact CG1-CB 4.46Å; V11-F60 HydrophobicContact CG2-CB 3.88Å; V11-F60 HydrophobicContact CG2-CG 4.32Å; V12-F60 PolarHBondContact N-O 2.83Å; F41-F60 HydrophobicContact CE2-CB 4.42Å; F41-F60 AromaticContact CE2-CD1 3.86Å; F41-F60 HydrophobicContact CE2-CD1 3.86Å; F41-F60 AromaticContact CZ-CD1 3.8Å; F41-F60 HydrophobicContact CZ-CD1 3.8Å; F41-F60 HydrophobicContact CZ-CE1 4.26Å; N43-F60 WeakPolarHBondContact OD1-CD1 3.26Å; N43-F60 WeakPolarHBondContact OD1-CE1 3.49Å; N43-F60 VanDerWaalsContact OD1-CG 3.3Å; N43-F60 WeakPolarHBondContact OD1-CG 3.33Å
61D97.5Very high94.1Very high0 Ų059.4 Ų59.40%032%0.323CS..EExtended strand (participates in β ladder)trans-81.2141.8175.6-160.66.2000110.4T21 L24 T39 F41 D42 Y44T21-D61 VanDerWaalsContact CA-OD2 3.26Å; T21-D61 WeakPolarHBondContact CA-OD2 3.32Å; T21-D61 WeakPolarHBondContact CB-OD2 3.46Å; T21-D61 WeakPolarHBondContact CG2-OD2 3.48Å; T21-D61 PolarHBondContact OG1-OD2 3.49Å; L24-D61 HydrophobicContact CD1-CB 3.42Å; L24-D61 VanDerWaalsContact CD1-CB 3.42Å; T39-D61 HydrophobicContact CG2-CB 4.28Å; T39-D61 PolarHBondContact OG1-OD2 2.62Å; F41-D61 WeakPolarHBondContact CA-O 3.43Å; F41-D61 VanDerWaalsContact CD2-O 3.22Å; F41-D61 WeakPolarHBondContact CD2-O 3.26Å; D42-D61 HydrophobicContact CB-CB 4.19Å; D42-D61 PolarHBondContact N-O 2.66Å; D42-D61 WeakPolarHBondContact O-CB 3.29Å; D42-D61 PolarHBondContact O-N 2.81Å; Y44-D61 HydrophobicContact CE2-CB 4.39Å
62T97.6Very high94.5Very high2 Ų255.5 Ų55.51%0.01228%0.281CS..EExtended strand (participates in β ladder)trans-132.4151.1-17571.80000113.3V11 V12 K20 G64 R72V11-T62 HydrophobicContact CG1-CG2 3.84Å; V12-T62 PolarHBondContact O-OG1 3.19Å; K20-T62 WeakPolarHBondContact CE-O 3.23Å; T62-G64 PolarHBondContact O-N 2.72Å; T62-R72 HydrophobicContact CG2-CG 4.14Å
63A95.5Very high94.9Very high2 Ų254 Ų542%0.01726%0.26CS..  trans-60.7131.2172.800000112.2T39 V40 Y68 R72T39-A63 WeakPolarHBondContact O-CA 3.3Å; T39-A63 WeakPolarHBondContact O-CB 3.45Å; V40-A63 WeakPolarHBondContact O-CB 3.41Å; V40-A63 PolarHBondContact O-N 3.11Å; V40-A63 VanDerWaalsContact O-N 3.15Å; A63-Y68 VanDerWaalsContact CB-CB 3.47Å; A63-Y68 HydrophobicContact CB-CD1 4.39Å; A63-Y68 HydrophobicContact CB-CD2 3.61Å; A63-Y68 HydrophobicContact CB-CE2 4.46Å; A63-Y68 HydrophobicContact CB-CG 3.56Å; A63-R72 PolarHBondContact O-NE 3.25Å; A63-R72 PolarHBondContact O-NH2 3.28Å
64G92.9Very high95.2Very high12 Ų1254.3 Ų54.312%0.12427%0.265CS..  trans-90.8-4.7174.400000114.9G14 G16 T62G14-G64 WeakPolarHBondContact O-CA 3.46Å; G16-G64 PolarHBondContact N-O 3.31Å; T62-G64 PolarHBondContact O-N 2.72Å
65Q91.8Very high95.4Very high71 Ų7152.7 Ų52.733%0.33226%0.255SS..SBendtrans-86.5149.1-179.5-58.9173.39.800110.9D67 Y68 R72Q65-D67 VanDerWaalsContact C-N 3.28Å; Q65-D67 PolarHBondContact O-N 3.21Å; Q65-Y68 HydrophobicContact CB-CD2 4.09Å; Q65-Y68 PolarHBondContact O-N 3.43Å; Q65-R72 PolarHBondContact O-NH2 2.92Å
66E90.8Very high95.6Very high142 Ų14251.5 Ų51.566%0.66425%0.251SS*.G310 helixtrans-65.4-29.8-179.6-67.9179176.500113Y68 D69E66-Y68 PolarHBondContact O-N 3.35Å; E66-D69 VanDerWaalsContact O-CB 3.25Å; E66-D69 WeakPolarHBondContact O-CB 3.41Å; E66-D69 PolarHBondContact O-N 3.04Å
67D93.3Very high95.6Very high142 Ų14253.7 Ų53.776%0.75927%0.265SS*.G310 helixtrans-55.9-23.7177-63.8-30.8000113Q65Q65-D67 VanDerWaalsContact C-N 3.28Å; Q65-D67 PolarHBondContact O-N 3.21Å
68Y94Very high95.6Very high66 Ų6662.1 Ų62.126%0.25931%0.305SS..G310 helixtrans-102.410.1179.5-60.7-82.8000113.9V40 A63 Q65 E66 R70 L71 R72V40-Y68 HydrophobicContact CB-CE1 4.23Å; V40-Y68 HydrophobicContact CG1-CD1 3.91Å; V40-Y68 HydrophobicContact CG1-CE1 3.62Å; V40-Y68 HydrophobicContact CG2-CE1 3.82Å; A63-Y68 VanDerWaalsContact CB-CB 3.47Å; A63-Y68 HydrophobicContact CB-CD1 4.39Å; A63-Y68 HydrophobicContact CB-CD2 3.61Å; A63-Y68 HydrophobicContact CB-CE2 4.46Å; A63-Y68 HydrophobicContact CB-CG 3.56Å; Q65-Y68 HydrophobicContact CB-CD2 4.09Å; Q65-Y68 PolarHBondContact O-N 3.43Å; E66-Y68 PolarHBondContact O-N 3.35Å; Y68-R70 PolarHBondContact O-N 3.11Å; Y68-R70 VanDerWaalsContact O-N 3.07Å; Y68-L71 HydrophobicContact CD1-CD1 3.82Å; Y68-L71 HydrophobicContact CE1-CD1 4.37Å; Y68-L71 PolarHBondContact O-N 3Å; Y68-R72 WeakPolarHBondContact O-CB 3.47Å; Y68-R72 PolarHBondContact O-N 2.97Å
69D94Very high95.6Very high59 Ų5962.2 Ų62.232%0.31630%0.304SS..THydrogen-bonded Turntrans-57-27.4-178.7-79.3-6.9000112.7E66 R72 P73 K100E66-D69 VanDerWaalsContact O-CB 3.25Å; E66-D69 WeakPolarHBondContact O-CB 3.41Å; E66-D69 PolarHBondContact O-N 3.04Å; D69-R72 IonicContact OD1-CZ 2.61Å; D69-R72 VanDerWaalsContact OD1-CZ 3.23Å; D69-R72 IonicContact OD1-NH1 3.49Å; D69-R72 PolarHBondContact OD1-NH1 3.41Å; D69-R72 IonicContact OD1-NH2 2.8Å; D69-R72 PolarHBondContact OD1-NH2 3.08Å; D69-P73 WeakPolarHBondContact O-CD 3.16Å; D69-P73 WeakPolarHBondContact O-CG 3.32Å; D69-K100 IonicContact OD1-NZ 3.55Å; D69-K100 PolarHBondContact OD1-NZ 3.19Å; D69-K100 IonicContact OD2-NZ 3.35Å; D69-K100 PolarHBondContact OD2-NZ 2.9Å
70R93.8Very high95.6Very high233 Ų23365.5 Ų65.588%0.87932%0.322SS*.THydrogen-bonded Turntrans-83.5-26175.4-64.8-175-178.9178.81.6114.2Y68Y68-R70 PolarHBondContact O-N 3.11Å; Y68-R70 VanDerWaalsContact O-N 3.07Å
71L94.4Very high95.6Very high96 Ų9663.4 Ų63.450%0.50331%0.313SS..THydrogen-bonded Turntrans-89.4-37.2-178.2-67.4179.9000111.7Y68 P73 L74Y68-L71 HydrophobicContact CD1-CD1 3.82Å; Y68-L71 HydrophobicContact CE1-CD1 4.37Å; Y68-L71 PolarHBondContact O-N 3Å; L71-P73 VanDerWaalsContact C-CD 3.46Å; L71-P73 VanDerWaalsContact C-N 3.33Å; L71-L74 HydrophobicContact CD2-CD1 4.15Å; L71-L74 VanDerWaalsContact O-CB 3.26Å; L71-L74 WeakPolarHBondContact O-CB 3.37Å; L71-L74 WeakPolarHBondContact O-CG 3.49Å; L71-L74 PolarHBondContact O-N 3.08Å
72R96.3Very high95.7Very high6 Ų663.4 Ų63.42%0.02331%0.313CS..G310 helixtrans-50.1-45.8-178.2-167.5-175-47.1106.57.9113.3T62 A63 Q65 Y68 D69 L74 S75 Y76 E104T62-R72 HydrophobicContact CG2-CG 4.14Å; A63-R72 PolarHBondContact O-NE 3.25Å; A63-R72 PolarHBondContact O-NH2 3.28Å; Q65-R72 PolarHBondContact O-NH2 2.92Å; Y68-R72 WeakPolarHBondContact O-CB 3.47Å; Y68-R72 PolarHBondContact O-N 2.97Å; D69-R72 IonicContact OD1-CZ 2.61Å; D69-R72 VanDerWaalsContact OD1-CZ 3.23Å; D69-R72 IonicContact OD1-NH1 3.49Å; D69-R72 PolarHBondContact OD1-NH1 3.41Å; D69-R72 IonicContact OD1-NH2 2.8Å; D69-R72 PolarHBondContact OD1-NH2 3.08Å; R72-L74 PolarHBondContact O-N 3.46Å; R72-L74 VanDerWaalsContact O-N 3.09Å; R72-S75 WeakPolarHBondContact O-CB 3.2Å; R72-S75 PolarHBondContact O-N 3.32Å; R72-S75 PolarHBondContact O-OG 3.37Å; R72-Y76 WeakPolarHBondContact CD-OH 3.39Å; R72-Y76 HydrophobicContact CG-CE1 4.1Å; R72-Y76 WeakPolarHBondContact CG-OH 3.34Å; R72-E104 WeakPolarHBondContact CD-OE1 3.3Å; R72-E104 IonicContact CZ-OE1 3.54Å; R72-E104 IonicContact NH1-OE1 2.74Å; R72-E104 PolarHBondContact NH1-OE1 3.25Å; R72-E104 IonicContact NH1-OE2 2.93Å; R72-E104 PolarHBondContact NH1-OE2 2.89Å
73P97.2Very high95.7Very high25 Ų2563.3 Ų63.316%0.16231%0.312CS..G310 helixtrans-66.7-13.8-177-23.336.9000115.2D69 L71 S75 Y76 P77 H108D69-P73 WeakPolarHBondContact O-CD 3.16Å; D69-P73 WeakPolarHBondContact O-CG 3.32Å; L71-P73 VanDerWaalsContact C-CD 3.46Å; L71-P73 VanDerWaalsContact C-N 3.33Å; P73-S75 PolarHBondContact O-N 3.4Å; P73-Y76 VanDerWaalsContact CA-CD2 3.48Å; P73-Y76 HydrophobicContact CB-CD2 3.78Å; P73-Y76 HydrophobicContact CB-CE2 3.98Å; P73-Y76 HydrophobicContact CB-CG 4.48Å; P73-Y76 HydrophobicContact CG-CD2 4.42Å; P73-Y76 HydrophobicContact CG-CE2 4.11Å; P73-Y76 WeakPolarHBondContact O-CB 3.38Å; P73-Y76 PolarHBondContact O-N 3.05Å; P73-P77 WeakPolarHBondContact O-CD 3.19Å; P73-H108 WeakPolarHBondContact CB-NE2 3.28Å
74L95.8Very high95.9Very high133 Ų13363.2 Ų63.270%0.69631%0.311SS*.G310 helixtrans-62.7-20.2171.8-58.1178.2000112L71 R72 P77L71-L74 HydrophobicContact CD2-CD1 4.15Å; L71-L74 VanDerWaalsContact O-CB 3.26Å; L71-L74 WeakPolarHBondContact O-CB 3.37Å; L71-L74 WeakPolarHBondContact O-CG 3.49Å; L71-L74 PolarHBondContact O-N 3.08Å; R72-L74 PolarHBondContact O-N 3.46Å; R72-L74 VanDerWaalsContact O-N 3.09Å; L74-P77 WeakPolarHBondContact O-CD 3.33Å
75S96.4Very high96.2Very high10 Ų1062.7 Ų62.77%0.0731%0.305CS..G310 helixtrans-81.9-14.8175.7-51.60000113.4K9 F41 R72 P73K9-S75 WeakPolarHBondContact CE-O 3.42Å; K9-S75 PolarHBondContact NZ-O 2.86Å; F41-S75 VanDerWaalsContact CD2-OG 3.3Å; F41-S75 WeakPolarHBondContact CD2-OG 3.32Å; F41-S75 WeakPolarHBondContact CE2-OG 3.11Å; R72-S75 WeakPolarHBondContact O-CB 3.2Å; R72-S75 PolarHBondContact O-N 3.32Å; R72-S75 PolarHBondContact O-OG 3.37Å; P73-S75 PolarHBondContact O-N 3.4Å
76Y98.3Very high96.5Very high3 Ų359.3 Ų59.31%0.01229%0.29CS..  trans-81.7-26.1-168.8-63.4-8.5000117.2V11 V13 R72 P73 Q78 T79 Y82 E104 H108V11-Y76 HydrophobicContact CG1-CD1 3.98Å; V11-Y76 HydrophobicContact CG1-CE1 3.9Å; V13-Y76 HydrophobicContact CG1-CE1 3.86Å; V13-Y76 WeakPolarHBondContact CG1-OH 3.46Å; R72-Y76 WeakPolarHBondContact CD-OH 3.39Å; R72-Y76 HydrophobicContact CG-CE1 4.1Å; R72-Y76 WeakPolarHBondContact CG-OH 3.34Å; P73-Y76 VanDerWaalsContact CA-CD2 3.48Å; P73-Y76 HydrophobicContact CB-CD2 3.78Å; P73-Y76 HydrophobicContact CB-CE2 3.98Å; P73-Y76 HydrophobicContact CB-CG 4.48Å; P73-Y76 HydrophobicContact CG-CD2 4.42Å; P73-Y76 HydrophobicContact CG-CE2 4.11Å; P73-Y76 WeakPolarHBondContact O-CB 3.38Å; P73-Y76 PolarHBondContact O-N 3.05Å; Y76-Q78 PolarHBondContact O-N 3.49Å; Y76-T79 WeakPolarHBondContact O-CB 3.43Å; Y76-T79 PolarHBondContact O-N 2.68Å; Y76-T79 PolarHBondContact O-OG1 2.83Å; Y76-Y82 VanDerWaalsContact CB-OH 3.29Å; Y76-Y82 WeakPolarHBondContact CB-OH 3.11Å; Y76-Y82 AromaticContact CD1-CE1 3.79Å; Y76-Y82 HydrophobicContact CD1-CE1 3.79Å; Y76-Y82 HydrophobicContact CE1-CE1 4Å; Y76-Y82 HydrophobicContact CG-CE1 4.27Å; Y76-E104 HydrophobicContact CE2-CG 4.21Å; Y76-E104 PolarHBondContact OH-OE1 2.69Å; Y76-H108 HydrophobicContact CD2-CB 3.69Å; Y76-H108 AromaticContact CD2-CD2 3.56Å; Y76-H108 AromaticContact CD2-CG 3.62Å; Y76-H108 AromaticContact CE2-CD2 3.73Å; Y76-H108 HydrophobicContact CG-CB 4.48Å
77P97.4Very high96.9Very high76 Ų7652.6 Ų52.649%0.49426%0.258SS..THydrogen-bonded Turntrans-54.1137.4178-28.836.2000112.1K9 P73 L74 T79K9-P77 PolarHBondContact NZ-O 2.88Å; P73-P77 WeakPolarHBondContact O-CD 3.19Å; L74-P77 WeakPolarHBondContact O-CD 3.33Å; P77-T79 PolarHBondContact O-N 3.31Å
78Q95.9Very high97.2Very high178 Ų17845.8 Ų45.883%0.83222%0.222SC*.THydrogen-bonded Turntrans60.126.7177.4-51.6174.8-56.700114.4Y76Y76-Q78 PolarHBondContact O-N 3.49Å
79T98.3Very high97.4Very high8 Ų843 Ų435%0.04921%0.212CC..  trans-71.1132.1173.1-57.40000110.8V11 Y76 P77 V81 Y82 V112V11-T79 HydrophobicContact CB-CG2 3.98Å; V11-T79 HydrophobicContact CG2-CG2 3.67Å; V11-T79 WeakPolarHBondContact CG2-OG1 3.37Å; Y76-T79 WeakPolarHBondContact O-CB 3.43Å; Y76-T79 PolarHBondContact O-N 2.68Å; Y76-T79 PolarHBondContact O-OG1 2.83Å; P77-T79 PolarHBondContact O-N 3.31Å; T79-V81 WeakPolarHBondContact CG2-O 3.22Å; T79-Y82 HydrophobicContact CG2-CD1 4.17Å; T79-Y82 HydrophobicContact CG2-CD2 3.89Å; T79-Y82 HydrophobicContact CG2-CE1 3.92Å; T79-Y82 HydrophobicContact CG2-CE2 3.61Å; T79-Y82 HydrophobicContact CG2-CG 4.15Å; T79-Y82 PolarHBondContact OG1-OH 3.08Å; T79-V112 HydrophobicContact CG2-CG1 4.14Å; T79-V112 WeakPolarHBondContact O-CG1 3.29Å; T79-V112 VanDerWaalsContact O-CG2 3.26Å; T79-V112 WeakPolarHBondContact O-CG2 3.46Å
80D97.8Very high97.5Very high68 Ų6843 Ų4336%0.36421%0.212SC..SBendtrans-93.5-30.1177.9-60.7-58.7000112.3I8 K9 P113 A180I8-D80 WeakPolarHBondContact CA-OD2 3.49Å; I8-D80 HydrophobicContact CG2-CB 4.15Å; K9-D80 PolarHBondContact N-OD2 3.24Å; K9-D80 PolarHBondContact O-N 2.85Å; D80-P113 WeakPolarHBondContact O-CD 2.89Å; D80-P113 WeakPolarHBondContact O-CG 3.26Å; D80-A180 HydrophobicContact CB-CB 3.96Å
81V98.6Very high97.7Very high0 Ų034 Ų340%019%0.188CC..EExtended strand (participates in β ladder)trans-153.2145.8176.562.60000111.2I8 K9 C10 V11 T79 P113 L115 A176 A179 A180I8-V81 HydrophobicContact CG2-CG1 4.5Å; K9-V81 PolarHBondContact O-N 3.02Å; C10-V81 VanDerWaalsContact CA-O 3.32Å; C10-V81 WeakPolarHBondContact CA-O 3.5Å; C10-V81 HydrophobicContact CB-CG1 3.8Å; V11-V81 PolarHBondContact N-O 2.87Å; V11-V81 VanDerWaalsContact N-O 3.08Å; T79-V81 WeakPolarHBondContact CG2-O 3.22Å; V81-P113 WeakPolarHBondContact CA-O 3.19Å; V81-L115 HydrophobicContact CG2-CD1 3.9Å; V81-A176 HydrophobicContact CG1-CB 4.19Å; V81-A176 HydrophobicContact CG2-CB 4.27Å; V81-A179 HydrophobicContact CG2-CB 4.13Å; V81-A180 HydrophobicContact CB-CB 4.1Å; V81-A180 HydrophobicContact CG1-CB 4.08Å
82Y98.9Very high97.9Very high0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-105.5143.9169.3-69.2-88.2000112.1V11 V13 Y76 T79 I105 S109 V112 P113 F114 L115V11-Y82 HydrophobicContact CB-CD1 3.71Å; V11-Y82 HydrophobicContact CB-CE1 3.68Å; V11-Y82 HydrophobicContact CG1-CD1 4.04Å; V11-Y82 HydrophobicContact CG1-CE1 3.87Å; V11-Y82 HydrophobicContact CG2-CE1 4.31Å; V11-Y82 CarbonylContact O-C 3.54Å; V11-Y82 VanDerWaalsContact O-CA 3.3Å; V11-Y82 WeakPolarHBondContact O-CA 3.5Å; V13-Y82 HydrophobicContact CG1-CD1 4.39Å; Y76-Y82 VanDerWaalsContact CB-OH 3.29Å; Y76-Y82 WeakPolarHBondContact CB-OH 3.11Å; Y76-Y82 AromaticContact CD1-CE1 3.79Å; Y76-Y82 HydrophobicContact CD1-CE1 3.79Å; Y76-Y82 HydrophobicContact CE1-CE1 4Å; Y76-Y82 HydrophobicContact CG-CE1 4.27Å; T79-Y82 HydrophobicContact CG2-CD1 4.17Å; T79-Y82 HydrophobicContact CG2-CD2 3.89Å; T79-Y82 HydrophobicContact CG2-CE1 3.92Å; T79-Y82 HydrophobicContact CG2-CE2 3.61Å; T79-Y82 HydrophobicContact CG2-CG 4.15Å; T79-Y82 PolarHBondContact OG1-OH 3.08Å; Y82-I105 HydrophobicContact CD1-CB 4.38Å; Y82-I105 HydrophobicContact CD1-CG2 3.78Å; Y82-I105 HydrophobicContact CD2-CB 4.28Å; Y82-I105 HydrophobicContact CD2-CD1 3.96Å; Y82-I105 HydrophobicContact CE1-CB 4.35Å; Y82-I105 HydrophobicContact CE1-CG2 3.87Å; Y82-I105 HydrophobicContact CE2-CB 4.26Å; Y82-I105 HydrophobicContact CG-CB 4.35Å; Y82-I105 HydrophobicContact CG-CD1 3.98Å; Y82-I105 HydrophobicContact CG-CG2 4.13Å; Y82-S109 PolarHBondContact OH-OG 2.93Å; Y82-V112 HydrophobicContact CD2-CB 4.1Å; Y82-V112 HydrophobicContact CD2-CG1 3.55Å; Y82-V112 HydrophobicContact CE2-CB 3.88Å; Y82-V112 HydrophobicContact CE2-CG1 3.62Å; Y82-V112 HydrophobicContact CE2-CG2 4.48Å; Y82-P113 PolarHBondContact N-O 2.81Å; Y82-F114 CarbonylContact O-C 3.59Å; Y82-F114 WeakPolarHBondContact O-CA 3.04Å; Y82-L115 PolarHBondContact O-N 3.43Å
83L98.9Very high98Very high0 Ų033.6 Ų33.60%019%0.19CC..EExtended strand (participates in β ladder)trans-103.3119.9157.6-62.1-176.5000108.1V11 V12 V13 L23 L115 V117 V172 F173 A176V11-L83 PolarHBondContact O-N 2.92Å; V12-L83 WeakPolarHBondContact CA-O 3.3Å; V12-L83 HydrophobicContact CB-CB 4.46Å; V12-L83 HydrophobicContact CG1-CB 4.11Å; V12-L83 HydrophobicContact CG2-CB 4.2Å; V12-L83 HydrophobicContact CG2-CD1 4.1Å; V12-L83 HydrophobicContact CG2-CG 4.47Å; V13-L83 PolarHBondContact N-O 3.46Å; L23-L83 HydrophobicContact CD2-CD1 4.09Å; L83-L115 HydrophobicContact CD2-CB 3.82Å; L83-L115 HydrophobicContact CD2-CD2 4.26Å; L83-L115 HydrophobicContact CD2-CG 4.44Å; L83-V117 HydrophobicContact CB-CG2 4.28Å; L83-V117 HydrophobicContact CD2-CG2 3.94Å; L83-V172 HydrophobicContact CD1-CG1 3.73Å; L83-V172 HydrophobicContact CD2-CG1 3.95Å; L83-V172 HydrophobicContact CG-CG1 4.49Å; L83-F173 HydrophobicContact CD1-CD1 4.4Å; L83-F173 HydrophobicContact CD1-CE1 3.92Å; L83-F173 HydrophobicContact CD1-CZ 4.37Å; L83-A176 HydrophobicContact CD2-CB 3.91Å
84I98.9Very high98.1Very high0 Ų033.7 Ų33.70%019%0.187CC..EExtended strand (participates in β ladder)trans-100.8109.9171.3-50.9-178000107.8V13 V97 W101 V102 I105 F114 L115 V117V13-I84 HydrophobicContact CG2-CB 4.32Å; V13-I84 HydrophobicContact CG2-CG1 3.87Å; V13-I84 HydrophobicContact CG2-CG2 4.34Å; I84-V97 HydrophobicContact CG2-CG1 4.11Å; I84-V97 HydrophobicContact CG2-CG2 4.19Å; I84-W101 HydrophobicContact CG2-CB 3.63Å; I84-W101 HydrophobicContact CG2-CG 4.24Å; I84-V102 HydrophobicContact CD1-CB 4.44Å; I84-V102 HydrophobicContact CD1-CG2 3.38Å; I84-I105 HydrophobicContact CD1-CD1 3.61Å; I84-I105 HydrophobicContact CD1-CG1 4.21Å; I84-I105 HydrophobicContact CG1-CD1 4.15Å; I84-F114 HydrophobicContact CD1-CB 4.39Å; I84-F114 HydrophobicContact CD1-CD2 3.39Å; I84-F114 HydrophobicContact CD1-CE2 3.74Å; I84-F114 HydrophobicContact CD1-CG 3.94Å; I84-F114 HydrophobicContact CG1-CB 4.39Å; I84-F114 HydrophobicContact CG1-CD2 3.87Å; I84-F114 HydrophobicContact CG1-CG 4.4Å; I84-L115 PolarHBondContact N-O 2.56Å; I84-V117 PolarHBondContact O-N 3.09Å
85C98.9Very high98.2Very high0 Ų030.4 Ų30.40%017%0.173CC..EExtended strand (participates in β ladder)trans-98139.3-175.9-64.20000111.7V13 G14 V18 K20 V117 T119V13-C85 PolarHBondContact O-N 2.7Å; G14-C85 WeakPolarHBondContact CA-O 3.36Å; V18-C85 HydrophobicContact CG2-CB 3.86Å; K20-C85 HydrophobicContact CG-CB 3.96Å; C85-V117 WeakPolarHBondContact CA-O 3.48Å; C85-T119 HydrophobicContact CB-CG2 4.09Å
86F98.9Very high98.4Very high0 Ų031.6 Ų31.60%018%0.179CC..EExtended strand (participates in β ladder)trans-136.1155.8162.972.2-86.1000108.5V88 S93 F94 V97 L116 V117 G118 T119 V141 Y158F86-V88 HydrophobicContact CE2-CG1 4.15Å; F86-S93 WeakPolarHBondContact CB-O 3.42Å; F86-F94 HydrophobicContact CB-CB 4.5Å; F86-F94 HydrophobicContact CD1-CD2 4.08Å; F86-F94 HydrophobicContact CD2-CB 3.71Å; F86-F94 AromaticContact CD2-CD2 3.79Å; F86-F94 HydrophobicContact CD2-CD2 3.79Å; F86-F94 HydrophobicContact CD2-CG 4.23Å; F86-F94 AromaticContact CE1-CD2 3.83Å; F86-F94 HydrophobicContact CE1-CD2 3.83Å; F86-F94 HydrophobicContact CE1-CE2 4.27Å; F86-F94 HydrophobicContact CE2-CB 4.18Å; F86-F94 AromaticContact CE2-CD2 3.56Å; F86-F94 HydrophobicContact CE2-CD2 3.56Å; F86-F94 HydrophobicContact CE2-CE2 4.36Å; F86-F94 HydrophobicContact CE2-CG 4.25Å; F86-F94 HydrophobicContact CG-CB 4.14Å; F86-F94 HydrophobicContact CG-CD2 4.06Å; F86-F94 AromaticContact CZ-CD2 3.58Å; F86-F94 HydrophobicContact CZ-CD2 3.58Å; F86-F94 HydrophobicContact CZ-CE2 4.01Å; F86-V97 HydrophobicContact CB-CG2 3.97Å; F86-V97 HydrophobicContact CD1-CG2 4.04Å; F86-V97 HydrophobicContact CG-CG2 4.3Å; F86-L116 HydrophobicContact CD1-CD1 3.68Å; F86-L116 HydrophobicContact CD1-CG 4.26Å; F86-L116 HydrophobicContact CE1-CD1 3.79Å; F86-L116 HydrophobicContact CE1-CD2 4.18Å; F86-L116 HydrophobicContact CE1-CG 3.85Å; F86-V117 WeakPolarHBondContact CD1-O 3.49Å; F86-V117 PolarHBondContact N-O 3.21Å; F86-G118 WeakPolarHBondContact O-CA 3.14Å; F86-T119 PolarHBondContact O-N 3.15Å; F86-T119 PolarHBondContact O-OG1 3.23Å; F86-V141 HydrophobicContact CE2-CB 3.95Å; F86-V141 HydrophobicContact CE2-CG1 3.79Å; F86-V141 HydrophobicContact CE2-CG2 4.14Å; F86-V141 HydrophobicContact CZ-CG1 4.16Å; F86-Y158 AromaticContact CE1-CE2 3.77Å; F86-Y158 HydrophobicContact CE1-CE2 3.77Å; F86-Y158 AromaticContact CZ-CE2 3.77Å; F86-Y158 HydrophobicContact CZ-CE2 3.77Å
87S98.9Very high98.4Very high1 Ų131.5 Ų31.51%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-86.9132174.4163.10000110.5V89 N90 S93 T119 Q120S87-V89 PolarHBondContact O-N 2.8Å; S87-V89 VanDerWaalsContact O-N 3.08Å; S87-V89 VanDerWaalsContact OG-CG2 3.26Å; S87-V89 WeakPolarHBondContact OG-CG2 3.46Å; S87-V89 PolarHBondContact OG-N 3.32Å; S87-N90 PolarHBondContact O-N 2.86Å; S87-S93 PolarHBondContact N-OG 2.99Å; S87-T119 WeakPolarHBondContact CA-OG1 3.18Å; S87-Q120 PolarHBondContact OG-OE1 3.38Å
88V98.8Very high98.4Very high0 Ų031.4 Ų31.40%017%0.171CC..THydrogen-bonded Turntrans-65.2-14.3178.9-56.80000113.2F86 T119 I121 R124 M140 V141F86-V88 HydrophobicContact CE2-CG1 4.15Å; V88-T119 WeakPolarHBondContact CG2-O 3.22Å; V88-T119 PolarHBondContact N-O 2.88Å; V88-I121 HydrophobicContact CG1-CG2 4Å; V88-I121 HydrophobicContact CG2-CG2 4.09Å; V88-R124 HydrophobicContact CG2-CG 3.71Å; V88-M140 CarbonylContact O-C 3.56Å; V88-M140 WeakPolarHBondContact O-CA 3.46Å; V88-V141 PolarHBondContact O-N 3.38Å
89V98.2Very high98.6Very high7 Ų729.6 Ų29.64%0.04216%0.163CC..THydrogen-bonded Turntrans-105.110.5175.9-57.90000112.8S87 L123 T129 L133 M140S87-V89 PolarHBondContact O-N 2.8Å; S87-V89 VanDerWaalsContact O-N 3.08Å; S87-V89 VanDerWaalsContact OG-CG2 3.26Å; S87-V89 WeakPolarHBondContact OG-CG2 3.46Å; S87-V89 PolarHBondContact OG-N 3.32Å; V89-L123 HydrophobicContact CG1-CB 3.75Å; V89-L123 HydrophobicContact CG2-CB 4.03Å; V89-L123 HydrophobicContact CG2-CD1 3.69Å; V89-T129 HydrophobicContact CB-CG2 3.9Å; V89-T129 HydrophobicContact CG1-CG2 3.84Å; V89-T129 HydrophobicContact CG2-CG2 4.25Å; V89-L133 HydrophobicContact CB-CD1 4.22Å; V89-M140 HydrophobicContact CG1-CE 4.06Å; V89-M140 HydrophobicContact CG1-CG 4.11Å; V89-M140 HydrophobicContact CG1-SD 4.24Å
90N97.9Very high98.6Very high59 Ų5930.9 Ų30.932%0.31617%0.168SC..  trans-12995.7173.9-179-16.4000110.4S87 T92 S93 F94S87-N90 PolarHBondContact O-N 2.86Å; N90-T92 VanDerWaalsContact C-N 3.29Å; N90-T92 PolarHBondContact O-N 3.06Å; N90-T92 WeakPolarHBondContact OD1-CB 3.37Å; N90-T92 PolarHBondContact OD1-N 3.05Å; N90-T92 VanDerWaalsContact OD1-N 3.12Å; N90-S93 PolarHBondContact O-N 3.33Å; N90-S93 PolarHBondContact O-OG 3.01Å; N90-S93 PolarHBondContact OD1-N 3.18Å; N90-F94 PolarHBondContact O-N 3.47Å
91A97.7Very high98.6Very high45 Ų4527.7 Ų27.737%0.37215%0.15SC..Hα-helixtrans-61.7-32.9-178.900000113.5F94 V95A91-F94 WeakPolarHBondContact O-CB 3.26Å; A91-F94 PolarHBondContact O-N 3.48Å; A91-V95 PolarHBondContact O-N 3.34Å; A91-V95 VanDerWaalsContact O-N 3.08Å
92T97.8Very high98.6Very high92 Ų9227.8 Ų27.856%0.56415%0.151SC*.Hα-helixtrans-62.5-44.5176.1-54.80000110.9N90 F94 V95 N96N90-T92 VanDerWaalsContact C-N 3.29Å; N90-T92 PolarHBondContact O-N 3.06Å; N90-T92 WeakPolarHBondContact OD1-CB 3.37Å; N90-T92 PolarHBondContact OD1-N 3.05Å; N90-T92 VanDerWaalsContact OD1-N 3.12Å; T92-F94 PolarHBondContact O-N 2.85Å; T92-V95 PolarHBondContact O-N 3.15Å; T92-V95 VanDerWaalsContact O-N 3.11Å; T92-N96 PolarHBondContact O-N 2.88Å
93S98.7Very high98.6Very high0 Ų030.7 Ų30.70%017%0.17CC..Hα-helixtrans-61.9-27.8177.673.40000113.3D15 F86 S87 N90D15-S93 VanDerWaalsContact OD2-CA 3.28Å; D15-S93 WeakPolarHBondContact OD2-CA 3.33Å; F86-S93 WeakPolarHBondContact CB-O 3.42Å; S87-S93 PolarHBondContact N-OG 2.99Å; N90-S93 PolarHBondContact O-N 3.33Å; N90-S93 PolarHBondContact O-OG 3.01Å; N90-S93 PolarHBondContact OD1-N 3.18Å
94F98.9Very high98.6Very high27 Ų2732.1 Ų32.112%0.11818%0.177CC..Hα-helixtrans-74.9-40.6174.6175.8-105.8000112.7F86 N90 A91 T92 N96 V97 V141 Q145 L149F86-F94 HydrophobicContact CB-CB 4.5Å; F86-F94 HydrophobicContact CD1-CD2 4.08Å; F86-F94 HydrophobicContact CD2-CB 3.71Å; F86-F94 AromaticContact CD2-CD2 3.79Å; F86-F94 HydrophobicContact CD2-CD2 3.79Å; F86-F94 HydrophobicContact CD2-CG 4.23Å; F86-F94 AromaticContact CE1-CD2 3.83Å; F86-F94 HydrophobicContact CE1-CD2 3.83Å; F86-F94 HydrophobicContact CE1-CE2 4.27Å; F86-F94 HydrophobicContact CE2-CB 4.18Å; F86-F94 AromaticContact CE2-CD2 3.56Å; F86-F94 HydrophobicContact CE2-CD2 3.56Å; F86-F94 HydrophobicContact CE2-CE2 4.36Å; F86-F94 HydrophobicContact CE2-CG 4.25Å; F86-F94 HydrophobicContact CG-CB 4.14Å; F86-F94 HydrophobicContact CG-CD2 4.06Å; F86-F94 AromaticContact CZ-CD2 3.58Å; F86-F94 HydrophobicContact CZ-CD2 3.58Å; F86-F94 HydrophobicContact CZ-CE2 4.01Å; N90-F94 PolarHBondContact O-N 3.47Å; A91-F94 WeakPolarHBondContact O-CB 3.26Å; A91-F94 PolarHBondContact O-N 3.48Å; T92-F94 PolarHBondContact O-N 2.85Å; F94-N96 VanDerWaalsContact C-N 3.33Å; F94-V97 VanDerWaalsContact O-CB 3.31Å; F94-V97 WeakPolarHBondContact O-CB 3.37Å; F94-V97 PolarHBondContact O-N 2.86Å; F94-V141 HydrophobicContact CB-CG2 3.7Å; F94-V141 HydrophobicContact CD1-CG1 4.22Å; F94-V141 HydrophobicContact CD1-CG2 4.16Å; F94-V141 HydrophobicContact CD2-CG1 3.74Å; F94-V141 HydrophobicContact CD2-CG2 4.34Å; F94-V141 HydrophobicContact CE1-CG1 4.27Å; F94-V141 HydrophobicContact CE2-CG1 3.78Å; F94-V141 HydrophobicContact CG-CG1 3.95Å; F94-V141 HydrophobicContact CG-CG2 3.82Å; F94-V141 HydrophobicContact CZ-CG1 4.04Å; F94-Q145 HydrophobicContact CZ-CB 4.1Å; F94-L149 HydrophobicContact CD2-CD2 3.77Å; F94-L149 HydrophobicContact CE1-CD2 4.2Å; F94-L149 HydrophobicContact CE2-CB 3.88Å; F94-L149 HydrophobicContact CE2-CD2 3.26Å; F94-L149 HydrophobicContact CE2-CG 4.17Å; F94-L149 HydrophobicContact CG-CD2 4.45Å; F94-L149 HydrophobicContact CZ-CB 3.72Å; F94-L149 HydrophobicContact CZ-CD2 3.52Å; F94-L149 HydrophobicContact CZ-CG 4.15Å
95V98.7Very high98.6Very high65 Ų6532.3 Ų32.339%0.39418%0.178SC..Hα-helixtrans-61.6-44.6173.7171.90000110.5A91 T92 V97 E98 E99A91-V95 PolarHBondContact O-N 3.34Å; A91-V95 VanDerWaalsContact O-N 3.08Å; T92-V95 PolarHBondContact O-N 3.15Å; T92-V95 VanDerWaalsContact O-N 3.11Å; V95-V97 PolarHBondContact O-N 3.06Å; V95-E98 PolarHBondContact O-N 2.94Å; V95-E99 HydrophobicContact CG1-CG 3.98Å; V95-E99 WeakPolarHBondContact CG1-OE1 3.12Å; V95-E99 PolarHBondContact O-N 2.91Å
96N98.8Very high98.6Very high35 Ų3537.2 Ų37.219%0.18720%0.196CC..Hα-helixtrans-62.3-17.6-180-72.4-13.2000113.9D15 T92 F94 E98 K100 W101D15-N96 WeakPolarHBondContact OD1-CB 3.49Å; D15-N96 PolarHBondContact OD1-ND2 2.81Å; D15-N96 PolarHBondContact OD2-ND2 2.75Å; T92-N96 PolarHBondContact O-N 2.88Å; F94-N96 VanDerWaalsContact C-N 3.33Å; N96-E98 VanDerWaalsContact C-N 3.34Å; N96-E98 PolarHBondContact O-N 3.01Å; N96-K100 WeakPolarHBondContact O-CA 3.48Å; N96-K100 WeakPolarHBondContact O-CB 3.38Å; N96-K100 PolarHBondContact O-N 2.91Å; N96-W101 PolarHBondContact O-N 2.95Å
97V98.9Very high98.5Very high0 Ų044.4 Ų44.40%023%0.23CC..Iπ-helixtrans-57.5-48.7170.6173.50000110.8I84 F86 F94 V95 V102 L116 L149 L153I84-V97 HydrophobicContact CG2-CG1 4.11Å; I84-V97 HydrophobicContact CG2-CG2 4.19Å; F86-V97 HydrophobicContact CB-CG2 3.97Å; F86-V97 HydrophobicContact CD1-CG2 4.04Å; F86-V97 HydrophobicContact CG-CG2 4.3Å; F94-V97 VanDerWaalsContact O-CB 3.31Å; F94-V97 WeakPolarHBondContact O-CB 3.37Å; F94-V97 PolarHBondContact O-N 2.86Å; V95-V97 PolarHBondContact O-N 3.06Å; V97-V102 HydrophobicContact CG1-CG2 4.14Å; V97-V102 WeakPolarHBondContact O-CB 3.2Å; V97-V102 WeakPolarHBondContact O-CG2 3.09Å; V97-V102 PolarHBondContact O-N 3.04Å; V97-L116 HydrophobicContact CB-CD1 4.35Å; V97-L116 HydrophobicContact CG1-CD1 3.55Å; V97-L116 HydrophobicContact CG2-CD1 3.86Å; V97-L149 HydrophobicContact CB-CD2 4.06Å; V97-L149 HydrophobicContact CG1-CD2 3.96Å; V97-L153 HydrophobicContact CG1-CD1 3.73Å
98E98.8Very high98.5Very high74 Ų7448.3 Ų48.335%0.34625%0.248SC..Iπ-helixtrans-80.9-38.9-177.8-177.8158.5-128.300111.6V95 N96 P103 L149 R152 L153V95-E98 PolarHBondContact O-N 2.94Å; N96-E98 VanDerWaalsContact C-N 3.34Å; N96-E98 PolarHBondContact O-N 3.01Å; E98-P103 WeakPolarHBondContact O-CD 3.28Å; E98-P103 VanDerWaalsContact O-CG 3.27Å; E98-P103 WeakPolarHBondContact O-CG 3.07Å; E98-L149 HydrophobicContact CB-CD1 4.33Å; E98-R152 IonicContact OE1-CZ 2.88Å; E98-R152 IonicContact OE1-NE 2.72Å; E98-R152 PolarHBondContact OE1-NE 3.27Å; E98-R152 IonicContact OE1-NH2 3.69Å; E98-R152 IonicContact OE2-CZ 3.33Å; E98-R152 IonicContact OE2-NE 2.62Å; E98-R152 IonicContact OE2-NH2 2.95Å; E98-R152 PolarHBondContact OE2-NH2 3.38Å; E98-L153 HydrophobicContact CB-CD1 4.16Å; E98-L153 HydrophobicContact CB-CD2 4.31Å; E98-L153 HydrophobicContact CG-CD2 3.91Å; E98-L153 WeakPolarHBondContact OE1-CD2 3.46Å
99E98.6Very high98.4Very high141 Ų14149.1 Ų49.166%0.65925%0.253SS*.Iπ-helixtrans-80.5-30.8-174.4-63.3-171.917400113.6V95V95-E99 HydrophobicContact CG1-CG 3.98Å; V95-E99 WeakPolarHBondContact CG1-OE1 3.12Å; V95-E99 PolarHBondContact O-N 2.91Å
100K98.6Very high98.3Very high35 Ų3553.5 Ų53.515%0.15228%0.282CS..Iπ-helixtrans-122.9-62.8-174.5177.6175178.4161.10113.1D69 N96 P103 E104D69-K100 IonicContact OD1-NZ 3.55Å; D69-K100 PolarHBondContact OD1-NZ 3.19Å; D69-K100 IonicContact OD2-NZ 3.35Å; D69-K100 PolarHBondContact OD2-NZ 2.9Å; N96-K100 WeakPolarHBondContact O-CA 3.48Å; N96-K100 WeakPolarHBondContact O-CB 3.38Å; N96-K100 PolarHBondContact O-N 2.91Å; K100-P103 WeakPolarHBondContact O-CD 3.45Å; K100-E104 WeakPolarHBondContact O-CB 3.5Å; K100-E104 PolarHBondContact O-N 3.29Å
101W98.8Very high98.1Very high0 Ų060.2 Ų60.20%031%0.308CS..Iπ-helixtrans-70.7-43.7-162.4-61.8110.6000113.8V13 G14 D15 I84 N96 E104 I105V13-W101 HydrophobicContact CB-CE3 3.86Å; V13-W101 HydrophobicContact CB-CZ3 4.18Å; V13-W101 HydrophobicContact CG2-CE3 4.23Å; G14-W101 WeakPolarHBondContact O-CH2 3.33Å; G14-W101 VanDerWaalsContact O-CZ2 3.24Å; G14-W101 WeakPolarHBondContact O-CZ2 3.4Å; D15-W101 PolarHBondContact OD1-NE1 2.88Å; I84-W101 HydrophobicContact CG2-CB 3.63Å; I84-W101 HydrophobicContact CG2-CG 4.24Å; N96-W101 PolarHBondContact O-N 2.95Å; W101-E104 PolarHBondContact O-N 2.99Å; W101-I105 WeakPolarHBondContact O-CG1 3.27Å; W101-I105 PolarHBondContact O-N 3.39Å
102V98.8Very high98.1Very high2 Ų259.7 Ų59.71%0.01230%0.3CS..Hα-helixtrans-65.2-47.4175.3167.30000111.9I84 V97 E104 R106 F114 L153I84-V102 HydrophobicContact CD1-CB 4.44Å; I84-V102 HydrophobicContact CD1-CG2 3.38Å; V97-V102 HydrophobicContact CG1-CG2 4.14Å; V97-V102 WeakPolarHBondContact O-CB 3.2Å; V97-V102 WeakPolarHBondContact O-CG2 3.09Å; V97-V102 PolarHBondContact O-N 3.04Å; V102-E104 VanDerWaalsContact C-N 3.31Å; V102-E104 PolarHBondContact O-N 3.39Å; V102-R106 HydrophobicContact CG1-CG 4.32Å; V102-R106 VanDerWaalsContact O-CB 3.27Å; V102-R106 WeakPolarHBondContact O-CB 3.45Å; V102-R106 VanDerWaalsContact O-CG 3.25Å; V102-R106 WeakPolarHBondContact O-CG 3.37Å; V102-R106 PolarHBondContact O-N 2.65Å; V102-F114 HydrophobicContact CG2-CE2 3.87Å; V102-F114 HydrophobicContact CG2-CZ 3.83Å; V102-L153 HydrophobicContact CG2-CD1 3.87Å
103P98.6Very high98.1Very high62 Ų6256.1 Ų56.140%0.40328%0.278SS..Hα-helixtrans-53.2-45.6171.5-29.835.6000113.4E98 K100 R106 H107E98-P103 WeakPolarHBondContact O-CD 3.28Å; E98-P103 VanDerWaalsContact O-CG 3.27Å; E98-P103 WeakPolarHBondContact O-CG 3.07Å; K100-P103 WeakPolarHBondContact O-CD 3.45Å; P103-R106 PolarHBondContact O-N 3.35Å; P103-H107 WeakPolarHBondContact O-CB 3.46Å; P103-H107 PolarHBondContact O-N 3.32Å
104E98.6Very high98.1Very high30 Ų3056.6 Ų56.614%0.1428%0.28CS..Hα-helixtrans-62.7-53.6-178.7-171.8-179.6125.300112R72 Y76 K100 W101 V102 R106 H107 H108R72-E104 WeakPolarHBondContact CD-OE1 3.3Å; R72-E104 IonicContact CZ-OE1 3.54Å; R72-E104 IonicContact NH1-OE1 2.74Å; R72-E104 PolarHBondContact NH1-OE1 3.25Å; R72-E104 IonicContact NH1-OE2 2.93Å; R72-E104 PolarHBondContact NH1-OE2 2.89Å; Y76-E104 HydrophobicContact CE2-CG 4.21Å; Y76-E104 PolarHBondContact OH-OE1 2.69Å; K100-E104 WeakPolarHBondContact O-CB 3.5Å; K100-E104 PolarHBondContact O-N 3.29Å; W101-E104 PolarHBondContact O-N 2.99Å; V102-E104 VanDerWaalsContact C-N 3.31Å; V102-E104 PolarHBondContact O-N 3.39Å; E104-R106 PolarHBondContact O-N 3.03Å; E104-H107 WeakPolarHBondContact O-CB 3.25Å; E104-H107 PolarHBondContact O-N 2.77Å; E104-H108 PolarHBondContact O-CD2 3.18Å; E104-H108 PolarHBondContact O-N 3.43Å
105I98.4Very high98.1Very high4 Ų455.3 Ų55.32%0.02128%0.275CS..Hα-helixtrans-65.8-30.9-179.567.8158.8000111.8V13 Y82 I84 W101 H108 S109 F114V13-I105 HydrophobicContact CG1-CG2 4.45Å; V13-I105 HydrophobicContact CG2-CG2 3.93Å; Y82-I105 HydrophobicContact CD1-CB 4.38Å; Y82-I105 HydrophobicContact CD1-CG2 3.78Å; Y82-I105 HydrophobicContact CD2-CB 4.28Å; Y82-I105 HydrophobicContact CD2-CD1 3.96Å; Y82-I105 HydrophobicContact CE1-CB 4.35Å; Y82-I105 HydrophobicContact CE1-CG2 3.87Å; Y82-I105 HydrophobicContact CE2-CB 4.26Å; Y82-I105 HydrophobicContact CG-CB 4.35Å; Y82-I105 HydrophobicContact CG-CD1 3.98Å; Y82-I105 HydrophobicContact CG-CG2 4.13Å; I84-I105 HydrophobicContact CD1-CD1 3.61Å; I84-I105 HydrophobicContact CD1-CG1 4.21Å; I84-I105 HydrophobicContact CG1-CD1 4.15Å; W101-I105 WeakPolarHBondContact O-CG1 3.27Å; W101-I105 PolarHBondContact O-N 3.39Å; I105-H108 PolarHBondContact O-N 3.39Å; I105-S109 CarbonylContact O-C 3.5Å; I105-S109 WeakPolarHBondContact O-CA 3.34Å; I105-S109 WeakPolarHBondContact O-CB 3.44Å; I105-S109 PolarHBondContact O-N 3.5Å; I105-F114 HydrophobicContact CD1-CB 3.77Å; I105-F114 HydrophobicContact CD1-CD1 3.98Å; I105-F114 HydrophobicContact CD1-CG 3.88Å
106R98.2Very high98.1Very high102 Ų10252.2 Ų52.239%0.38526%0.256SS..Hα-helixtrans-72.3-32.1177-77.8-179.5168.4163.70.8112.6V102 P103 E104 H108 P110 L153V102-R106 HydrophobicContact CG1-CG 4.32Å; V102-R106 VanDerWaalsContact O-CB 3.27Å; V102-R106 WeakPolarHBondContact O-CB 3.45Å; V102-R106 VanDerWaalsContact O-CG 3.25Å; V102-R106 WeakPolarHBondContact O-CG 3.37Å; V102-R106 PolarHBondContact O-N 2.65Å; P103-R106 PolarHBondContact O-N 3.35Å; E104-R106 PolarHBondContact O-N 3.03Å; R106-H108 VanDerWaalsContact C-N 3.32Å; R106-P110 WeakPolarHBondContact O-CA 3.39Å; R106-P110 WeakPolarHBondContact O-CB 3.45Å; R106-P110 WeakPolarHBondContact O-CD 3.36Å; R106-L153 PolarHBondContact NH2-O 3.5Å
107H98.1Very high98.1Very high152 Ų15250.5 Ų50.570%0.70425%0.247SC*.Hα-helixtrans-60.7-44173.5176.972.6000110.9P103 E104P103-H107 WeakPolarHBondContact O-CB 3.46Å; P103-H107 PolarHBondContact O-N 3.32Å; E104-H107 WeakPolarHBondContact O-CB 3.25Å; E104-H107 PolarHBondContact O-N 2.77Å
108H98.2Very high98.1Very high83 Ų8350.5 Ų50.538%0.38425%0.247SC..Hα-helixtrans-88.4-27.7-177.7-69.3-75.7000114.6P73 Y76 E104 I105 R106P73-H108 WeakPolarHBondContact CB-NE2 3.28Å; Y76-H108 HydrophobicContact CD2-CB 3.69Å; Y76-H108 AromaticContact CD2-CD2 3.56Å; Y76-H108 AromaticContact CD2-CG 3.62Å; Y76-H108 AromaticContact CE2-CD2 3.73Å; Y76-H108 HydrophobicContact CG-CB 4.48Å; E104-H108 PolarHBondContact O-CD2 3.18Å; E104-H108 PolarHBondContact O-N 3.43Å; I105-H108 PolarHBondContact O-N 3.39Å; R106-H108 VanDerWaalsContact C-N 3.32Å
109S96.8Very high98.1Very high16 Ų1647.2 Ų47.211%0.11223%0.232CC..  trans-147.562.5-167-67.60000111.1Y82 I105 K111 V112Y82-S109 PolarHBondContact OH-OG 2.93Å; I105-S109 CarbonylContact O-C 3.5Å; I105-S109 WeakPolarHBondContact O-CA 3.34Å; I105-S109 WeakPolarHBondContact O-CB 3.44Å; I105-S109 PolarHBondContact O-N 3.5Å; S109-K111 PolarHBondContact O-N 2.59Å; S109-V112 PolarHBondContact O-N 3.49Å; S109-V112 VanDerWaalsContact O-N 3.08Å
110P95.4Very high98.1Very high100 Ų10042.8 Ų42.865%0.64921%0.211SC*.THydrogen-bonded Turntrans-61.9-19.4-167.223.3-35000115R106R106-P110 WeakPolarHBondContact O-CA 3.39Å; R106-P110 WeakPolarHBondContact O-CB 3.45Å; R106-P110 WeakPolarHBondContact O-CD 3.36Å
111K94.8Very high98.1Very high200 Ų20041.9 Ų41.987%0.8721%0.208SC*.THydrogen-bonded Turntrans-107.1-8.8-177.9-62.5-177.5-178.2176.70113.8S109S109-K111 PolarHBondContact O-N 2.59Å
112V97.7Very high98.1Very high34 Ų3443.9 Ų43.921%0.20622%0.219CC..  trans-75.1128-175.6178.20000108.4T79 Y82 S109T79-V112 HydrophobicContact CG2-CG1 4.14Å; T79-V112 WeakPolarHBondContact O-CG1 3.29Å; T79-V112 VanDerWaalsContact O-CG2 3.26Å; T79-V112 WeakPolarHBondContact O-CG2 3.46Å; Y82-V112 HydrophobicContact CD2-CB 4.1Å; Y82-V112 HydrophobicContact CD2-CG1 3.55Å; Y82-V112 HydrophobicContact CE2-CB 3.88Å; Y82-V112 HydrophobicContact CE2-CG1 3.62Å; Y82-V112 HydrophobicContact CE2-CG2 4.48Å; S109-V112 PolarHBondContact O-N 3.49Å; S109-V112 VanDerWaalsContact O-N 3.08Å
113P98.4Very high98Very high16 Ų1645.2 Ų45.210%0.10423%0.226CC..  trans-65.5153.5177.327.2-34.1000110.9D80 V81 Y82 V156 A179D80-P113 WeakPolarHBondContact O-CD 2.89Å; D80-P113 WeakPolarHBondContact O-CG 3.26Å; V81-P113 WeakPolarHBondContact CA-O 3.19Å; Y82-P113 PolarHBondContact N-O 2.81Å; P113-V156 HydrophobicContact CB-CG2 3.55Å; P113-A179 HydrophobicContact CB-CB 4.34Å; P113-A179 HydrophobicContact CG-CB 4.45Å
114F98.7Very high97.8Very high10 Ų1044.6 Ų44.64%0.04422%0.215CC..EExtended strand (participates in β ladder)trans-139152.4173.173.4-85.5000111.4Y82 I84 V102 I105 L153 A155 V156Y82-F114 CarbonylContact O-C 3.59Å; Y82-F114 WeakPolarHBondContact O-CA 3.04Å; I84-F114 HydrophobicContact CD1-CB 4.39Å; I84-F114 HydrophobicContact CD1-CD2 3.39Å; I84-F114 HydrophobicContact CD1-CE2 3.74Å; I84-F114 HydrophobicContact CD1-CG 3.94Å; I84-F114 HydrophobicContact CG1-CB 4.39Å; I84-F114 HydrophobicContact CG1-CD2 3.87Å; I84-F114 HydrophobicContact CG1-CG 4.4Å; V102-F114 HydrophobicContact CG2-CE2 3.87Å; V102-F114 HydrophobicContact CG2-CZ 3.83Å; I105-F114 HydrophobicContact CD1-CB 3.77Å; I105-F114 HydrophobicContact CD1-CD1 3.98Å; I105-F114 HydrophobicContact CD1-CG 3.88Å; F114-L153 HydrophobicContact CZ-CB 4.07Å; F114-L153 WeakPolarHBondContact CZ-O 3.34Å; F114-A155 HydrophobicContact CD2-CB 3.92Å; F114-A155 HydrophobicContact CE2-CB 3.41Å; F114-A155 VanDerWaalsContact CE2-CB 3.41Å; F114-A155 HydrophobicContact CZ-CB 3.76Å; F114-A155 WeakPolarHBondContact O-CA 3.25Å; F114-V156 PolarHBondContact O-N 3.39Å
115L98.8Very high97.6Very high0 Ų050.2 Ų50.20%025%0.246CC..EExtended strand (participates in β ladder)trans-104.1144.4167.1-75.671.5000109.1V81 Y82 L83 I84 V117 V156 K157 E175 A176 A179V81-L115 HydrophobicContact CG2-CD1 3.9Å; Y82-L115 PolarHBondContact O-N 3.43Å; L83-L115 HydrophobicContact CD2-CB 3.82Å; L83-L115 HydrophobicContact CD2-CD2 4.26Å; L83-L115 HydrophobicContact CD2-CG 4.44Å; I84-L115 PolarHBondContact N-O 2.56Å; L115-V117 HydrophobicContact CB-CG2 4.33Å; L115-V156 HydrophobicContact CD1-CB 4.41Å; L115-K157 HydrophobicContact CG-CB 4.46Å; L115-E175 HydrophobicContact CD2-CB 3.53Å; L115-A176 HydrophobicContact CD1-CB 4.31Å; L115-A176 HydrophobicContact CD2-CB 4.43Å; L115-A179 HydrophobicContact CD1-CB 3.81Å
116L98.9Very high97.4Very high0 Ų054 Ų540%026%0.264CS..EExtended strand (participates in β ladder)trans-92.8125.8167-178.959.9000108.7F86 V97 L149 A150 A155 K157 Y158 Q159F86-L116 HydrophobicContact CD1-CD1 3.68Å; F86-L116 HydrophobicContact CD1-CG 4.26Å; F86-L116 HydrophobicContact CE1-CD1 3.79Å; F86-L116 HydrophobicContact CE1-CD2 4.18Å; F86-L116 HydrophobicContact CE1-CG 3.85Å; V97-L116 HydrophobicContact CB-CD1 4.35Å; V97-L116 HydrophobicContact CG1-CD1 3.55Å; V97-L116 HydrophobicContact CG2-CD1 3.86Å; L116-L149 HydrophobicContact CD2-CB 4.07Å; L116-L149 HydrophobicContact CD2-CD2 3.97Å; L116-L149 HydrophobicContact CD2-CG 4.1Å; L116-A150 HydrophobicContact CB-CB 4.14Å; L116-A150 HydrophobicContact CD2-CB 4.02Å; L116-A155 HydrophobicContact CB-CB 4.28Å; L116-K157 PolarHBondContact N-O 3.25Å; L116-Y158 HydrophobicContact CB-CD2 4.13Å; L116-Y158 HydrophobicContact CD2-CD2 4.02Å; L116-Y158 HydrophobicContact CD2-CE2 4.46Å; L116-Y158 HydrophobicContact CG-CD2 3.86Å; L116-Y158 HydrophobicContact CG-CE2 4.29Å; L116-Y158 WeakPolarHBondContact O-CA 3.47Å; L116-Y158 WeakPolarHBondContact O-CD2 3.4Å; L116-Q159 PolarHBondContact O-N 3.08Å
117V99Very high97.3Very high0 Ų051.2 Ų51.20%027%0.267CS..EExtended strand (participates in β ladder)trans-122.2113.8-174.2-173.10000110.6L83 I84 C85 F86 L115 T119 Q159 V172L83-V117 HydrophobicContact CB-CG2 4.28Å; L83-V117 HydrophobicContact CD2-CG2 3.94Å; I84-V117 PolarHBondContact O-N 3.09Å; C85-V117 WeakPolarHBondContact CA-O 3.48Å; F86-V117 WeakPolarHBondContact CD1-O 3.49Å; F86-V117 PolarHBondContact N-O 3.21Å; L115-V117 HydrophobicContact CB-CG2 4.33Å; V117-T119 HydrophobicContact CG1-CG2 4.04Å; V117-Q159 CarbonylContact C-O 3.59Å; V117-Q159 VanDerWaalsContact CA-O 3.32Å; V117-Q159 WeakPolarHBondContact CA-O 3.27Å; V117-V172 HydrophobicContact CG1-CG1 4.24Å; V117-V172 HydrophobicContact CG1-CG2 3.9Å; V117-V172 HydrophobicContact CG2-CG1 3.88Å
118G98.9Very high97.2Very high0 Ų047.3 Ų47.30%026%0.261CS..EExtended strand (participates in β ladder)trans-84.4109.7168.200000110.4F86 Q159 E160 C161F86-G118 WeakPolarHBondContact O-CA 3.14Å; G118-Q159 PolarHBondContact N-O 2.98Å; G118-E160 CarbonylContact O-C 3.42Å; G118-E160 VanDerWaalsContact O-CA 3.26Å; G118-E160 WeakPolarHBondContact O-CA 3.12Å; G118-C161 PolarHBondContact O-N 3.4Å
119T98.9Very high97.2Very high4 Ų443.7 Ų43.73%0.02525%0.245CC..EExtended strand (participates in β ladder)trans-96.1170.8-177.9610000111.8V18 C85 F86 S87 V88 V117 I121 C161V18-T119 VanDerWaalsContact O-CB 3.32Å; V18-T119 WeakPolarHBondContact O-CB 3.48Å; V18-T119 PolarHBondContact O-OG1 2.94Å; C85-T119 HydrophobicContact CB-CG2 4.09Å; F86-T119 PolarHBondContact O-N 3.15Å; F86-T119 PolarHBondContact O-OG1 3.23Å; S87-T119 WeakPolarHBondContact CA-OG1 3.18Å; V88-T119 WeakPolarHBondContact CG2-O 3.22Å; V88-T119 PolarHBondContact N-O 2.88Å; V117-T119 HydrophobicContact CG1-CG2 4.04Å; T119-I121 PolarHBondContact O-N 2.96Å; T119-C161 CarbonylContact C-O 3.59Å; T119-C161 WeakPolarHBondContact CA-O 3.48Å
120Q98.3Very high97.1Very high48 Ų4846.8 Ų46.822%0.22426%0.259CS..  trans62.636.5174-57173.4-14.800113.5A17 S87 D122 L123 C161A17-Q120 PolarHBondContact O-NE2 2.95Å; A17-Q120 VanDerWaalsContact O-NE2 3.11Å; S87-Q120 PolarHBondContact OG-OE1 3.38Å; Q120-D122 PolarHBondContact O-N 3.37Å; Q120-L123 HydrophobicContact CB-CD1 3.92Å; Q120-L123 HydrophobicContact CB-CG 4.19Å; Q120-L123 HydrophobicContact CG-CD1 4.44Å; Q120-L123 WeakPolarHBondContact O-CB 3.45Å; Q120-L123 PolarHBondContact O-N 2.85Å; Q120-C161 PolarHBondContact N-O 3.19Å; Q120-C161 VanDerWaalsContact N-O 3.11Å
121I98.6Very high97.2Very high17 Ų1745.9 Ų45.99%0.08725%0.252CS..G310 helixtrans-65.9-18.5178.967.1-179.3000114.1V88 T119 L123 R124 E160 C161 K167V88-I121 HydrophobicContact CG1-CG2 4Å; V88-I121 HydrophobicContact CG2-CG2 4.09Å; T119-I121 PolarHBondContact O-N 2.96Å; I121-L123 PolarHBondContact O-N 2.99Å; I121-R124 WeakPolarHBondContact O-CB 3.35Å; I121-R124 PolarHBondContact O-N 3.43Å; I121-E160 HydrophobicContact CG2-CB 3.84Å; I121-E160 HydrophobicContact CG2-CG 4.13Å; I121-C161 PolarHBondContact N-O 3.05Å; I121-K167 HydrophobicContact CD1-CB 4.3Å; I121-K167 HydrophobicContact CD1-CD 3.84Å; I121-K167 HydrophobicContact CD1-CG 3.99Å
122D97.5Very high97.3Very high42 Ų4242.4 Ų42.423%0.22523%0.234CC..G310 helixtrans-59.7-27.917049.6-73.9000112.4Q120 R124 S162 T165Q120-D122 PolarHBondContact O-N 3.37Å; D122-R124 VanDerWaalsContact C-N 3.27Å; D122-R124 PolarHBondContact O-N 3.48Å; D122-S162 WeakPolarHBondContact CB-OG 3.42Å; D122-S162 VanDerWaalsContact CG-OG 3.23Å; D122-S162 WeakPolarHBondContact OD1-CB 3.35Å; D122-S162 PolarHBondContact OD1-OG 3.03Å; D122-T165 HydrophobicContact CB-CG2 4.09Å
123L97.8Very high97.2Very high30 Ų3041.5 Ų41.516%0.15723%0.228CC..G310 helixtrans-79-7178.6-57.3-176.6000113.6V89 Q120 I121 D125 E126 T129V89-L123 HydrophobicContact CG1-CB 3.75Å; V89-L123 HydrophobicContact CG2-CB 4.03Å; V89-L123 HydrophobicContact CG2-CD1 3.69Å; Q120-L123 HydrophobicContact CB-CD1 3.92Å; Q120-L123 HydrophobicContact CB-CG 4.19Å; Q120-L123 HydrophobicContact CG-CD1 4.44Å; Q120-L123 WeakPolarHBondContact O-CB 3.45Å; Q120-L123 PolarHBondContact O-N 2.85Å; I121-L123 PolarHBondContact O-N 2.99Å; L123-D125 VanDerWaalsContact C-N 3.33Å; L123-D125 PolarHBondContact O-N 3.27Å; L123-E126 HydrophobicContact CD2-CB 4.44Å; L123-E126 PolarHBondContact O-N 3.01Å; L123-T129 HydrophobicContact CB-CG2 4.19Å
124R94.9Very high97.1Very high49 Ų4947.7 Ų47.719%0.18526%0.255CS..G310 helixtrans-66.5-36.8179.3-75.7-171.4168.9171.16.1113V88 I121 D122 M140 V141 S143 E160V88-R124 HydrophobicContact CG2-CG 3.71Å; I121-R124 WeakPolarHBondContact O-CB 3.35Å; I121-R124 PolarHBondContact O-N 3.43Å; D122-R124 VanDerWaalsContact C-N 3.27Å; D122-R124 PolarHBondContact O-N 3.48Å; R124-M140 HydrophobicContact CB-SD 4.13Å; R124-M140 HydrophobicContact CG-SD 4.07Å; R124-M140 WeakPolarHBondContact O-CE 3.35Å; R124-V141 PolarHBondContact NH2-O 3.22Å; R124-S143 PolarHBondContact NH1-OG 3.27Å; R124-S143 VanDerWaalsContact NH1-OG 3.07Å; R124-E160 IonicContact CZ-OE1 3.32Å; R124-E160 IonicContact CZ-OE2 2.91Å; R124-E160 IonicContact NH1-OE1 3.6Å; R124-E160 IonicContact NH1-OE2 3.62Å; R124-E160 PolarHBondContact NH1-OE2 3.2Å; R124-E160 IonicContact NH2-OE1 2.67Å; R124-E160 PolarHBondContact NH2-OE1 2.96Å; R124-E160 IonicContact NH2-OE2 3.71Å; R124-E160 PolarHBondContact NH2-OE2 3.18Å
125D92.5Very high97Very high147 Ų14752.5 Ų52.579%0.78628%0.281SS*.SBendtrans-103.95.6-177.9-56.8-51.3000111.5L123 G127L123-D125 VanDerWaalsContact C-N 3.33Å; L123-D125 PolarHBondContact O-N 3.27Å; D125-G127 PolarHBondContact O-N 2.85Å
126E95.8Very high96.8Very high83 Ų8357.7 Ų57.739%0.38831%0.309SS..  trans-80.6118.1-179.3-170.1-159.4-12700111.1L123 A128 T129 I130L123-E126 HydrophobicContact CD2-CB 4.44Å; L123-E126 PolarHBondContact O-N 3.01Å; E126-A128 VanDerWaalsContact C-N 3.29Å; E126-A128 PolarHBondContact O-N 3.39Å; E126-T129 PolarHBondContact O-N 2.91Å; E126-T129 VanDerWaalsContact O-N 3.13Å; E126-T129 VanDerWaalsContact OE2-CB 3.28Å; E126-T129 WeakPolarHBondContact OE2-CB 3.29Å; E126-T129 PolarHBondContact OE2-N 2.65Å; E126-T129 PolarHBondContact OE2-OG1 2.88Å; E126-I130 WeakPolarHBondContact O-CG1 3.47Å; E126-I130 PolarHBondContact O-N 3.33Å
127G95.8Very high96.6Very high45 Ų4567.1 Ų67.146%0.46435%0.35SS..Hα-helixtrans-57-36.2-175.400000114.8D125 T131D125-G127 PolarHBondContact O-N 2.85Å; G127-T131 WeakPolarHBondContact O-CB 3.44Å; G127-T131 PolarHBondContact O-N 3.44Å; G127-T131 PolarHBondContact O-OG1 2.96Å
128A96.6Very high96.4Very high70 Ų7069 Ų6958%0.57937%0.366SS*.Hα-helixtrans-67.1-46.7177.300000111.5E126 T131 R132E126-A128 VanDerWaalsContact C-N 3.29Å; E126-A128 PolarHBondContact O-N 3.39Å; A128-T131 PolarHBondContact O-N 3.11Å; A128-R132 WeakPolarHBondContact O-CB 3.1Å; A128-R132 PolarHBondContact O-N 2.85Å
129T96.5Very high96.1Very high7 Ų777.3 Ų77.34%0.04340%0.402CS..Hα-helixtrans-63.2-42.1175.1-69.90000112.3V89 L123 E126 T131 R132 L133 M140V89-T129 HydrophobicContact CB-CG2 3.9Å; V89-T129 HydrophobicContact CG1-CG2 3.84Å; V89-T129 HydrophobicContact CG2-CG2 4.25Å; L123-T129 HydrophobicContact CB-CG2 4.19Å; E126-T129 PolarHBondContact O-N 2.91Å; E126-T129 VanDerWaalsContact O-N 3.13Å; E126-T129 VanDerWaalsContact OE2-CB 3.28Å; E126-T129 WeakPolarHBondContact OE2-CB 3.29Å; E126-T129 PolarHBondContact OE2-N 2.65Å; E126-T129 PolarHBondContact OE2-OG1 2.88Å; T129-T131 VanDerWaalsContact C-N 3.34Å; T129-T131 PolarHBondContact O-N 2.53Å; T129-R132 PolarHBondContact O-N 2.59Å; T129-L133 HydrophobicContact CG2-CD1 3.94Å; T129-L133 HydrophobicContact CG2-CG 4.3Å; T129-L133 WeakPolarHBondContact O-CG 3.26Å; T129-L133 PolarHBondContact O-N 3.32Å; T129-M140 HydrophobicContact CG2-CE 4.01Å
130I95.9Very high96Very high80 Ų8079.5 Ų79.541%0.4141%0.412SS..Hα-helixtrans-58.9-47.2175.5-67.2166.4000110.5E126 L133 H134 M140E126-I130 WeakPolarHBondContact O-CG1 3.47Å; E126-I130 PolarHBondContact O-N 3.33Å; I130-L133 PolarHBondContact O-N 3.22Å; I130-H134 WeakPolarHBondContact O-CB 3.32Å; I130-H134 PolarHBondContact O-N 3.31Å; I130-M140 HydrophobicContact CG1-CE 3.75Å
131T97Very high96Very high81 Ų8177.4 Ų77.450%0.49740%0.403SS..Hα-helixtrans-62.1-45.5179.2-580000111.4G127 A128 T129 H134 N135G127-T131 WeakPolarHBondContact O-CB 3.44Å; G127-T131 PolarHBondContact O-N 3.44Å; G127-T131 PolarHBondContact O-OG1 2.96Å; A128-T131 PolarHBondContact O-N 3.11Å; T129-T131 VanDerWaalsContact C-N 3.34Å; T129-T131 PolarHBondContact O-N 2.53Å; T131-H134 PolarHBondContact O-N 2.83Å; T131-N135 VanDerWaalsContact O-CG 3.24Å; T131-N135 PolarHBondContact O-N 3.36Å; T131-N135 PolarHBondContact O-ND2 3Å
132R96.8Very high96Very high128 Ų12879 Ų7948%0.48342%0.416SS..Hα-helixtrans-58.7-52176.9-177.8-175.567-170.9-2.9111.3A128 T129 H134 N135 D136A128-R132 WeakPolarHBondContact O-CB 3.1Å; A128-R132 PolarHBondContact O-N 2.85Å; T129-R132 PolarHBondContact O-N 2.59Å; R132-H134 VanDerWaalsContact C-N 3.3Å; R132-H134 PolarHBondContact O-N 2.9Å; R132-N135 PolarHBondContact O-N 2.99Å; R132-N135 VanDerWaalsContact O-N 3.14Å; R132-D136 PolarHBondContact O-N 2.82Å
133L95.9Very high96Very high15 Ų1579 Ų798%0.07942%0.418CS..Hα-helixtrans-62.5-37.9-178.9-70.4175000112.3V89 T129 I130 D136 K137 A138 M140V89-L133 HydrophobicContact CB-CD1 4.22Å; T129-L133 HydrophobicContact CG2-CD1 3.94Å; T129-L133 HydrophobicContact CG2-CG 4.3Å; T129-L133 WeakPolarHBondContact O-CG 3.26Å; T129-L133 PolarHBondContact O-N 3.32Å; I130-L133 PolarHBondContact O-N 3.22Å; L133-D136 PolarHBondContact O-N 3Å; L133-K137 PolarHBondContact O-N 3.41Å; L133-A138 HydrophobicContact CD2-CB 3.66Å; L133-A138 PolarHBondContact O-N 2.95Å; L133-M140 HydrophobicContact CD1-CE 3.59Å; L133-M140 HydrophobicContact CD1-CG 3.35Å; L133-M140 HydrophobicContact CD1-SD 4.33Å
134H95.4Very high96.1Very high145 Ų14581.6 Ų81.667%0.67143%0.432SS*.Hα-helixtrans-60.4-46.6173.8177.2-88.1000111.8I130 T131 R132 D136 K137I130-H134 WeakPolarHBondContact O-CB 3.32Å; I130-H134 PolarHBondContact O-N 3.31Å; T131-H134 PolarHBondContact O-N 2.83Å; R132-H134 VanDerWaalsContact C-N 3.3Å; R132-H134 PolarHBondContact O-N 2.9Å; H134-D136 VanDerWaalsContact C-N 3.34Å; H134-D136 PolarHBondContact O-N 3.41Å; H134-K137 PolarHBondContact O-N 3.11Å; H134-K137 VanDerWaalsContact O-N 3.12Å
135N96.8Very high96.2Very high111 Ų11183.5 Ų83.559%0.59444%0.443SS*.Hα-helixtrans-63.9-39.7178.8-67.9-15.3000112.1T131 R132 K137T131-N135 VanDerWaalsContact O-CG 3.24Å; T131-N135 PolarHBondContact O-N 3.36Å; T131-N135 PolarHBondContact O-ND2 3Å; R132-N135 PolarHBondContact O-N 2.99Å; R132-N135 VanDerWaalsContact O-N 3.14Å; N135-K137 PolarHBondContact O-N 2.94Å
136D95.4Very high96.5Very high110 Ų11076.5 Ų76.559%0.58841%0.406SS*.THydrogen-bonded Turntrans-78-1.5177.8-63-18.5000112.8R132 L133 H134 A138R132-D136 PolarHBondContact O-N 2.82Å; L133-D136 PolarHBondContact O-N 3Å; H134-D136 VanDerWaalsContact C-N 3.34Å; H134-D136 PolarHBondContact O-N 3.41Å; D136-A138 HydrophobicContact CB-CB 4.23Å; D136-A138 PolarHBondContact O-N 2.91Å; D136-A138 VanDerWaalsContact O-N 3.11Å
137K94.8Very high96.7Very high197 Ų19778.2 Ų78.286%0.85741%0.412SS*.THydrogen-bonded Turntrans52.627.5-171.7-57.2179-178.31760113L133 H134 N135L133-K137 PolarHBondContact O-N 3.41Å; H134-K137 PolarHBondContact O-N 3.11Å; H134-K137 VanDerWaalsContact O-N 3.12Å; N135-K137 PolarHBondContact O-N 2.94Å
138A94Very high96.8Very high41 Ų4181.5 Ų81.534%0.33941%0.414SS..  trans-91.1157.6177.900000110.4L133 D136L133-A138 HydrophobicContact CD2-CB 3.66Å; L133-A138 PolarHBondContact O-N 2.95Å; D136-A138 HydrophobicContact CB-CB 4.23Å; D136-A138 PolarHBondContact O-N 2.91Å; D136-A138 VanDerWaalsContact O-N 3.11Å
139K92.7Very high96.9Very high174 Ų17478.3 Ų78.376%0.75739%0.387SS*.  trans-120.9147.1176.7-67.7-177.1179.7178.80110.3
140M96.9Very high97Very high50 Ų5078.2 Ų78.225%0.24639%0.387CS..PPolyproline II helixtrans-69.5148.9167.7-59.3178175.800110.1V88 V89 R124 T129 I130 L133 S142V88-M140 CarbonylContact O-C 3.56Å; V88-M140 WeakPolarHBondContact O-CA 3.46Å; V89-M140 HydrophobicContact CG1-CE 4.06Å; V89-M140 HydrophobicContact CG1-CG 4.11Å; V89-M140 HydrophobicContact CG1-SD 4.24Å; R124-M140 HydrophobicContact CB-SD 4.13Å; R124-M140 HydrophobicContact CG-SD 4.07Å; R124-M140 WeakPolarHBondContact O-CE 3.35Å; T129-M140 HydrophobicContact CG2-CE 4.01Å; I130-M140 HydrophobicContact CG1-CE 3.75Å; L133-M140 HydrophobicContact CD1-CE 3.59Å; L133-M140 HydrophobicContact CD1-CG 3.35Å; L133-M140 HydrophobicContact CD1-SD 4.33Å; M140-S142 PolarHBondContact O-N 2.82Å
141V98.3Very high97.2Very high4 Ų481.5 Ų81.52%0.02440%0.4CS..PPolyproline II helixtrans-77.5121.6171.5-176.10000108.2F86 V88 F94 R124 Q145F86-V141 HydrophobicContact CE2-CB 3.95Å; F86-V141 HydrophobicContact CE2-CG1 3.79Å; F86-V141 HydrophobicContact CE2-CG2 4.14Å; F86-V141 HydrophobicContact CZ-CG1 4.16Å; V88-V141 PolarHBondContact O-N 3.38Å; F94-V141 HydrophobicContact CB-CG2 3.7Å; F94-V141 HydrophobicContact CD1-CG1 4.22Å; F94-V141 HydrophobicContact CD1-CG2 4.16Å; F94-V141 HydrophobicContact CD2-CG1 3.74Å; F94-V141 HydrophobicContact CD2-CG2 4.34Å; F94-V141 HydrophobicContact CE1-CG1 4.27Å; F94-V141 HydrophobicContact CE2-CG1 3.78Å; F94-V141 HydrophobicContact CG-CG1 3.95Å; F94-V141 HydrophobicContact CG-CG2 3.82Å; F94-V141 HydrophobicContact CZ-CG1 4.04Å; R124-V141 PolarHBondContact NH2-O 3.22Å; V141-Q145 HydrophobicContact CG1-CB 4Å
142S98.1Very high97.2Very high51 Ų5184.7 Ų84.736%0.35740%0.403SS..PPolyproline II helixtrans-77.4157.5175.965.40000112.2M140 D144 Q145 G146M140-S142 PolarHBondContact O-N 2.82Å; S142-D144 PolarHBondContact O-N 2.99Å; S142-Q145 WeakPolarHBondContact O-CB 3.17Å; S142-Q145 PolarHBondContact O-N 2.84Å; S142-Q145 VanDerWaalsContact O-N 3.15Å; S142-Q145 VanDerWaalsContact OG-CG 3.31Å; S142-Q145 WeakPolarHBondContact OG-CG 3.35Å; S142-Q145 PolarHBondContact OG-N 2.91Å; S142-Q145 PolarHBondContact OG-OE1 2.91Å; S142-G146 PolarHBondContact O-N 3.07Å; S142-G146 VanDerWaalsContact O-N 3.11Å
143S98.4Very high97.3Very high40 Ų4079.1 Ų79.128%0.2838%0.383SS..Hα-helixtrans-61.3-31.1176.3-50.90000113.5R124 G146 K147 E160R124-S143 PolarHBondContact NH1-OG 3.27Å; R124-S143 VanDerWaalsContact NH1-OG 3.07Å; S143-G146 PolarHBondContact O-N 2.98Å; S143-K147 VanDerWaalsContact O-CG 3.29Å; S143-K147 WeakPolarHBondContact O-CG 3.18Å; S143-K147 PolarHBondContact O-N 3.4Å; S143-E160 WeakPolarHBondContact CA-OE1 3.42Å; S143-E160 VanDerWaalsContact CB-OE1 3.27Å; S143-E160 WeakPolarHBondContact CB-OE1 3.46Å; S143-E160 PolarHBondContact OG-OE1 2.77Å; S143-E160 PolarHBondContact OG-OE2 2.95Å
144D98.7Very high97.4Very high85 Ų8586.8 Ų86.846%0.45542%0.415SS..Hα-helixtrans-67.3-41.2175.1179.668.3000111.9S142 G146 K147 K148S142-D144 PolarHBondContact O-N 2.99Å; D144-G146 PolarHBondContact O-N 3.3Å; D144-K147 PolarHBondContact O-N 2.79Å; D144-K148 WeakPolarHBondContact O-CB 3.46Å; D144-K148 WeakPolarHBondContact O-CG 3.33Å; D144-K148 PolarHBondContact O-N 2.7Å; D144-K148 WeakPolarHBondContact OD1-CE 3.32Å; D144-K148 IonicContact OD1-NZ 3.58Å; D144-K148 WeakPolarHBondContact OD2-CD 3.36Å; D144-K148 WeakPolarHBondContact OD2-CE 3.48Å; D144-K148 IonicContact OD2-NZ 2.76Å; D144-K148 PolarHBondContact OD2-NZ 2.96Å
145Q98.7Very high97.5Very high89 Ų8980.6 Ų80.642%0.41639%0.39SS..Hα-helixtrans-61.4-44.5174.1-73.3167.7-67.400111.6F94 V141 S142 K148 L149F94-Q145 HydrophobicContact CZ-CB 4.1Å; V141-Q145 HydrophobicContact CG1-CB 4Å; S142-Q145 WeakPolarHBondContact O-CB 3.17Å; S142-Q145 PolarHBondContact O-N 2.84Å; S142-Q145 VanDerWaalsContact O-N 3.15Å; S142-Q145 VanDerWaalsContact OG-CG 3.31Å; S142-Q145 WeakPolarHBondContact OG-CG 3.35Å; S142-Q145 PolarHBondContact OG-N 2.91Å; S142-Q145 PolarHBondContact OG-OE1 2.91Å; Q145-K148 PolarHBondContact O-N 3.38Å; Q145-L149 WeakPolarHBondContact O-CB 3.43Å; Q145-L149 PolarHBondContact O-N 3.02Å
146G98.8Very high97.6Very high0 Ų078.1 Ų78.10%038%0.379CS..Hα-helixtrans-59.7-4617600000113.1S142 S143 D144 L149 A150S142-G146 PolarHBondContact O-N 3.07Å; S142-G146 VanDerWaalsContact O-N 3.11Å; S143-G146 PolarHBondContact O-N 2.98Å; D144-G146 PolarHBondContact O-N 3.3Å; G146-L149 PolarHBondContact O-N 3.49Å; G146-A150 WeakPolarHBondContact O-CB 3.34Å; G146-A150 PolarHBondContact O-N 3.48Å
147K98.8Very high97.7Very high119 Ų11976.6 Ų76.652%0.51737%0.367SS..Hα-helixtrans-60.4-49.3175.6-72.6175-176.2179.40112.1S143 D144 L149 A150 E151 Y158S143-K147 VanDerWaalsContact O-CG 3.29Å; S143-K147 WeakPolarHBondContact O-CG 3.18Å; S143-K147 PolarHBondContact O-N 3.4Å; D144-K147 PolarHBondContact O-N 2.79Å; K147-L149 VanDerWaalsContact C-N 3.31Å; K147-L149 PolarHBondContact O-N 3.07Å; K147-A150 PolarHBondContact O-N 3.11Å; K147-E151 WeakPolarHBondContact O-CG 3.24Å; K147-E151 PolarHBondContact O-N 2.89Å; K147-Y158 HydrophobicContact CB-CD1 4.47Å; K147-Y158 HydrophobicContact CG-CD1 3.66Å; K147-Y158 HydrophobicContact CG-CE1 4.43Å; K147-Y158 HydrophobicContact CG-CG 4.42Å
148K98.9Very high97.9Very high115 Ų11568.2 Ų68.250%0.533%0.33SS..Hα-helixtrans-60.4-40178.7-75.9173.2176.2165.70112.2D144 Q145 R152D144-K148 WeakPolarHBondContact O-CB 3.46Å; D144-K148 WeakPolarHBondContact O-CG 3.33Å; D144-K148 PolarHBondContact O-N 2.7Å; D144-K148 WeakPolarHBondContact OD1-CE 3.32Å; D144-K148 IonicContact OD1-NZ 3.58Å; D144-K148 WeakPolarHBondContact OD2-CD 3.36Å; D144-K148 WeakPolarHBondContact OD2-CE 3.48Å; D144-K148 IonicContact OD2-NZ 2.76Å; D144-K148 PolarHBondContact OD2-NZ 2.96Å; Q145-K148 PolarHBondContact O-N 3.38Å; K148-R152 WeakPolarHBondContact O-CB 3.21Å; K148-R152 PolarHBondContact O-N 3.33Å
149L98.8Very high98.1Very high3 Ų367.9 Ų67.92%0.01632%0.321CS..Hα-helixtrans-66.5-46176.2-172.966000111.3F94 V97 E98 L116 Q145 G146 K147 E151 R152 L153F94-L149 HydrophobicContact CD2-CD2 3.77Å; F94-L149 HydrophobicContact CE1-CD2 4.2Å; F94-L149 HydrophobicContact CE2-CB 3.88Å; F94-L149 HydrophobicContact CE2-CD2 3.26Å; F94-L149 HydrophobicContact CE2-CG 4.17Å; F94-L149 HydrophobicContact CG-CD2 4.45Å; F94-L149 HydrophobicContact CZ-CB 3.72Å; F94-L149 HydrophobicContact CZ-CD2 3.52Å; F94-L149 HydrophobicContact CZ-CG 4.15Å; V97-L149 HydrophobicContact CB-CD2 4.06Å; V97-L149 HydrophobicContact CG1-CD2 3.96Å; E98-L149 HydrophobicContact CB-CD1 4.33Å; L116-L149 HydrophobicContact CD2-CB 4.07Å; L116-L149 HydrophobicContact CD2-CD2 3.97Å; L116-L149 HydrophobicContact CD2-CG 4.1Å; Q145-L149 WeakPolarHBondContact O-CB 3.43Å; Q145-L149 PolarHBondContact O-N 3.02Å; G146-L149 PolarHBondContact O-N 3.49Å; K147-L149 VanDerWaalsContact C-N 3.31Å; K147-L149 PolarHBondContact O-N 3.07Å; L149-E151 VanDerWaalsContact C-N 3.33Å; L149-E151 PolarHBondContact O-N 3.15Å; L149-R152 PolarHBondContact O-N 2.94Å; L149-L153 HydrophobicContact CD1-CD1 3.68Å; L149-L153 HydrophobicContact CD1-CG 3.93Å; L149-L153 HydrophobicContact CD2-CD1 4.14Å; L149-L153 HydrophobicContact CG-CD1 3.64Å; L149-L153 HydrophobicContact CG-CG 4.15Å; L149-L153 WeakPolarHBondContact O-CB 3.31Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 2.95Å
150A98.8Very high98.4Very high4 Ų461.2 Ų61.23%0.03329%0.293CS..Hα-helixtrans-57.6-44.5177.100000112.3L116 G146 K147 L153 K154 A155L116-A150 HydrophobicContact CB-CB 4.14Å; L116-A150 HydrophobicContact CD2-CB 4.02Å; G146-A150 WeakPolarHBondContact O-CB 3.34Å; G146-A150 PolarHBondContact O-N 3.48Å; K147-A150 PolarHBondContact O-N 3.11Å; A150-L153 CarbonylContact O-C 3.55Å; A150-L153 PolarHBondContact O-N 3.41Å; A150-K154 PolarHBondContact O-N 3.18Å; A150-A155 HydrophobicContact CB-CB 3.91Å; A150-A155 PolarHBondContact O-N 2.6Å
151E98.5Very high98.5Very high149 Ų14958.9 Ų58.970%0.69628%0.281SS*.Hα-helixtrans-62.1-49.8175.6-72.7176.1-176.800111.8K147 L149 L153 K154K147-E151 WeakPolarHBondContact O-CG 3.24Å; K147-E151 PolarHBondContact O-N 2.89Å; L149-E151 VanDerWaalsContact C-N 3.33Å; L149-E151 PolarHBondContact O-N 3.15Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 2.93Å; E151-K154 PolarHBondContact O-N 3.33Å
152R98.5Very high98.5Very high149 Ų14958.7 Ų58.756%0.56228%0.28SS*.Hα-helixtrans-57.9-43.7178.6-179.9166.670.6-132.710.6111.8E98 K148 L149 K154E98-R152 IonicContact OE1-CZ 2.88Å; E98-R152 IonicContact OE1-NE 2.72Å; E98-R152 PolarHBondContact OE1-NE 3.27Å; E98-R152 IonicContact OE1-NH2 3.69Å; E98-R152 IonicContact OE2-CZ 3.33Å; E98-R152 IonicContact OE2-NE 2.62Å; E98-R152 IonicContact OE2-NH2 2.95Å; E98-R152 PolarHBondContact OE2-NH2 3.38Å; K148-R152 WeakPolarHBondContact O-CB 3.21Å; K148-R152 PolarHBondContact O-N 3.33Å; L149-R152 PolarHBondContact O-N 2.94Å; R152-K154 VanDerWaalsContact C-N 3.26Å; R152-K154 PolarHBondContact O-N 2.74Å
153L98.4Very high98.5Very high11 Ų1156.7 Ų56.76%0.05827%0.267CS..THydrogen-bonded Turntrans-82.70.5-179.8-60.2-178.7000113.1V97 E98 V102 R106 F114 L149 A150 E151 A155V97-L153 HydrophobicContact CG1-CD1 3.73Å; E98-L153 HydrophobicContact CB-CD1 4.16Å; E98-L153 HydrophobicContact CB-CD2 4.31Å; E98-L153 HydrophobicContact CG-CD2 3.91Å; E98-L153 WeakPolarHBondContact OE1-CD2 3.46Å; V102-L153 HydrophobicContact CG2-CD1 3.87Å; R106-L153 PolarHBondContact NH2-O 3.5Å; F114-L153 HydrophobicContact CZ-CB 4.07Å; F114-L153 WeakPolarHBondContact CZ-O 3.34Å; L149-L153 HydrophobicContact CD1-CD1 3.68Å; L149-L153 HydrophobicContact CD1-CG 3.93Å; L149-L153 HydrophobicContact CD2-CD1 4.14Å; L149-L153 HydrophobicContact CG-CD1 3.64Å; L149-L153 HydrophobicContact CG-CG 4.15Å; L149-L153 WeakPolarHBondContact O-CB 3.31Å; L149-L153 VanDerWaalsContact O-CG 3.3Å; L149-L153 WeakPolarHBondContact O-CG 3.35Å; L149-L153 PolarHBondContact O-N 2.95Å; A150-L153 CarbonylContact O-C 3.55Å; A150-L153 PolarHBondContact O-N 3.41Å; E151-L153 VanDerWaalsContact C-N 3.3Å; E151-L153 PolarHBondContact O-N 2.93Å; L153-A155 PolarHBondContact O-N 2.75Å
154K97.3Very high98.4Very high175 Ų17559.2 Ų59.276%0.76128%0.277SS*.THydrogen-bonded Turntrans56.336.3-178.1-50.9178.2-178.2176.40113A150 E151 R152A150-K154 PolarHBondContact O-N 3.18Å; E151-K154 PolarHBondContact O-N 3.33Å; R152-K154 VanDerWaalsContact C-N 3.26Å; R152-K154 PolarHBondContact O-N 2.74Å
155A98.5Very high98.3Very high16 Ų1659.1 Ų59.113%0.13228%0.279CS..  trans-61.8152165.500000109.1F114 L116 A150 L153 K157F114-A155 HydrophobicContact CD2-CB 3.92Å; F114-A155 HydrophobicContact CE2-CB 3.41Å; F114-A155 VanDerWaalsContact CE2-CB 3.41Å; F114-A155 HydrophobicContact CZ-CB 3.76Å; F114-A155 WeakPolarHBondContact O-CA 3.25Å; L116-A155 HydrophobicContact CB-CB 4.28Å; A150-A155 HydrophobicContact CB-CB 3.91Å; A150-A155 PolarHBondContact O-N 2.6Å; L153-A155 PolarHBondContact O-N 2.75Å; A155-K157 VanDerWaalsContact C-N 3.28Å; A155-K157 PolarHBondContact O-N 3.04Å
156V97.7Very high98.3Very high59 Ų5958.5 Ų58.536%0.35828%0.277SS..SBendtrans-63.7-40.8174.6175.40000110.3P113 F114 L115 A179 P184P113-V156 HydrophobicContact CB-CG2 3.55Å; F114-V156 PolarHBondContact O-N 3.39Å; L115-V156 HydrophobicContact CD1-CB 4.41Å; V156-A179 HydrophobicContact CB-CB 4.25Å; V156-A179 HydrophobicContact CG1-CB 3.95Å; V156-A179 HydrophobicContact CG2-CB 4.1Å; V156-P184 HydrophobicContact CG2-CG 4.03Å
157K97.9Very high98.3Very high77 Ų7765.5 Ų65.534%0.33531%0.307SS..  trans-157.8156.3179.4-158.5164.4179171.20111.1L115 L116 A155 Q159 E175L115-K157 HydrophobicContact CG-CB 4.46Å; L116-K157 PolarHBondContact N-O 3.25Å; A155-K157 VanDerWaalsContact C-N 3.28Å; A155-K157 PolarHBondContact O-N 3.04Å; K157-Q159 HydrophobicContact CD-CG 4.49Å; K157-Q159 HydrophobicContact CG-CG 4.46Å; K157-E175 HydrophobicContact CD-CB 4.41Å; K157-E175 VanDerWaalsContact CD-CD 3.47Å; K157-E175 HydrophobicContact CD-CG 3.84Å; K157-E175 VanDerWaalsContact CD-OE2 3.24Å; K157-E175 WeakPolarHBondContact CD-OE2 3.37Å; K157-E175 IonicContact NZ-OE1 2.7Å; K157-E175 PolarHBondContact NZ-OE1 2.58Å; K157-E175 IonicContact NZ-OE2 3.23Å; K157-E175 PolarHBondContact NZ-OE2 3.12Å
158Y98.8Very high98.2Very high22 Ų2260.6 Ų60.69%0.08629%0.291CS..EExtended strand (participates in β ladder)trans-99.7130.5161.7177.4-119.6000109.4F86 L116 K147 E160F86-Y158 AromaticContact CE1-CE2 3.77Å; F86-Y158 HydrophobicContact CE1-CE2 3.77Å; F86-Y158 AromaticContact CZ-CE2 3.77Å; F86-Y158 HydrophobicContact CZ-CE2 3.77Å; L116-Y158 HydrophobicContact CB-CD2 4.13Å; L116-Y158 HydrophobicContact CD2-CD2 4.02Å; L116-Y158 HydrophobicContact CD2-CE2 4.46Å; L116-Y158 HydrophobicContact CG-CD2 3.86Å; L116-Y158 HydrophobicContact CG-CE2 4.29Å; L116-Y158 WeakPolarHBondContact O-CA 3.47Å; L116-Y158 WeakPolarHBondContact O-CD2 3.4Å; K147-Y158 HydrophobicContact CB-CD1 4.47Å; K147-Y158 HydrophobicContact CG-CD1 3.66Å; K147-Y158 HydrophobicContact CG-CE1 4.43Å; K147-Y158 HydrophobicContact CG-CG 4.42Å; Y158-E160 HydrophobicContact CE1-CG 3.67Å; Y158-E160 WeakPolarHBondContact CE1-OE1 3.36Å; Y158-E160 HydrophobicContact CE2-CG 4.36Å; Y158-E160 VanDerWaalsContact CZ-CG 3.46Å; Y158-E160 VanDerWaalsContact OH-CD 3.25Å; Y158-E160 WeakPolarHBondContact OH-CG 3.44Å; Y158-E160 PolarHBondContact OH-OE1 3.31Å
159Q98.8Very high98.2Very high33 Ų3355.5 Ų55.515%0.15427%0.268CS..EExtended strand (participates in β ladder)trans-129.2148.3172.2-71.3-71.538.500111.2L116 V117 G118 K157 D171 V172L116-Q159 PolarHBondContact O-N 3.08Å; V117-Q159 CarbonylContact C-O 3.59Å; V117-Q159 VanDerWaalsContact CA-O 3.32Å; V117-Q159 WeakPolarHBondContact CA-O 3.27Å; G118-Q159 PolarHBondContact N-O 2.98Å; K157-Q159 HydrophobicContact CD-CG 4.49Å; K157-Q159 HydrophobicContact CG-CG 4.46Å; Q159-D171 PolarHBondContact NE2-O 3.04Å; Q159-V172 HydrophobicContact CB-CG2 3.74Å; Q159-V172 HydrophobicContact CG-CG2 4.5Å
160E98.8Very high98.1Very high34 Ų3461.2 Ų61.216%0.15929%0.293CS..EExtended strand (participates in β ladder)trans-116.7138173.9-83.9-177.7-167.500110.1G118 I121 R124 S143 Y158G118-E160 CarbonylContact O-C 3.42Å; G118-E160 VanDerWaalsContact O-CA 3.26Å; G118-E160 WeakPolarHBondContact O-CA 3.12Å; I121-E160 HydrophobicContact CG2-CB 3.84Å; I121-E160 HydrophobicContact CG2-CG 4.13Å; R124-E160 IonicContact CZ-OE1 3.32Å; R124-E160 IonicContact CZ-OE2 2.91Å; R124-E160 IonicContact NH1-OE1 3.6Å; R124-E160 IonicContact NH1-OE2 3.62Å; R124-E160 PolarHBondContact NH1-OE2 3.2Å; R124-E160 IonicContact NH2-OE1 2.67Å; R124-E160 PolarHBondContact NH2-OE1 2.96Å; R124-E160 IonicContact NH2-OE2 3.71Å; R124-E160 PolarHBondContact NH2-OE2 3.18Å; S143-E160 WeakPolarHBondContact CA-OE1 3.42Å; S143-E160 VanDerWaalsContact CB-OE1 3.27Å; S143-E160 WeakPolarHBondContact CB-OE1 3.46Å; S143-E160 PolarHBondContact OG-OE1 2.77Å; S143-E160 PolarHBondContact OG-OE2 2.95Å; Y158-E160 HydrophobicContact CE1-CG 3.67Å; Y158-E160 WeakPolarHBondContact CE1-OE1 3.36Å; Y158-E160 HydrophobicContact CE2-CG 4.36Å; Y158-E160 VanDerWaalsContact CZ-CG 3.46Å; Y158-E160 VanDerWaalsContact OH-CD 3.25Å; Y158-E160 WeakPolarHBondContact OH-CG 3.44Å; Y158-E160 PolarHBondContact OH-OE1 3.31Å
161C98.8Very high98.1Very high1 Ų165 Ų651%0.00731%0.313CS..  trans-150.6163179.4670000113.9L23 G118 T119 Q120 I121 K167 V172L23-C161 WeakPolarHBondContact CD1-SG 3.46Å; G118-C161 PolarHBondContact O-N 3.4Å; T119-C161 CarbonylContact C-O 3.59Å; T119-C161 WeakPolarHBondContact CA-O 3.48Å; Q120-C161 PolarHBondContact N-O 3.19Å; Q120-C161 VanDerWaalsContact N-O 3.11Å; I121-C161 PolarHBondContact N-O 3.05Å; C161-K167 CarbonylContact C-O 3.49Å; C161-K167 WeakPolarHBondContact CA-O 3.42Å; C161-K167 WeakPolarHBondContact CB-O 3.26Å; C161-V172 HydrophobicContact CB-CG2 3.95Å
162S98.6Very high98.1Very high0 Ų057.9 Ų57.90%028%0.28CS..  trans-123.3121.3169.1168.50000107.9D122 L164 T165 Q166 K167D122-S162 WeakPolarHBondContact CB-OG 3.42Å; D122-S162 VanDerWaalsContact CG-OG 3.23Å; D122-S162 WeakPolarHBondContact OD1-CB 3.35Å; D122-S162 PolarHBondContact OD1-OG 3.03Å; S162-L164 VanDerWaalsContact C-N 3.26Å; S162-L164 PolarHBondContact OG-N 3.5Å; S162-T165 WeakPolarHBondContact CB-OG1 3.36Å; S162-T165 PolarHBondContact OG-N 3.06Å; S162-T165 PolarHBondContact OG-OG1 2.59Å; S162-Q166 CarbonylContact O-C 3.56Å; S162-Q166 WeakPolarHBondContact O-CA 3.41Å; S162-Q166 PolarHBondContact O-N 2.7Å; S162-K167 PolarHBondContact N-O 2.82Å
163A98Very high98.1Very high10 Ų1050.8 Ų50.88%0.08325%0.253CS..THydrogen-bonded Turntrans-68.9-29.3171.800000111.6C22 S26 F32C22-A163 HydrophobicContact CB-CB 3.83Å; C22-A163 WeakPolarHBondContact O-CB 3.3Å; S26-A163 VanDerWaalsContact CB-O 3.32Å; S26-A163 WeakPolarHBondContact CB-O 3.2Å; S26-A163 PolarHBondContact OG-O 3.31Å; F32-A163 HydrophobicContact CD2-CB 4.02Å; F32-A163 HydrophobicContact CE2-CB 4.01Å
164L96.4Very high98Very high92 Ų9252.7 Ų52.748%0.48226%0.263SS..THydrogen-bonded Turntrans-70.7-51.1-17917762.4000111.8F32 S162F32-L164 HydrophobicContact CB-CD1 4.09Å; F32-L164 HydrophobicContact CD1-CD1 3.83Å; F32-L164 VanDerWaalsContact CD2-CA 3.48Å; F32-L164 HydrophobicContact CD2-CB 3.95Å; F32-L164 HydrophobicContact CD2-CD1 4.26Å; F32-L164 HydrophobicContact CE1-CD1 4.31Å; F32-L164 HydrophobicContact CE2-CB 4.04Å; F32-L164 HydrophobicContact CG-CB 4.35Å; F32-L164 HydrophobicContact CG-CD1 3.79Å; S162-L164 VanDerWaalsContact C-N 3.26Å; S162-L164 PolarHBondContact OG-N 3.5Å
165T97Very high98Very high84 Ų8446.5 Ų46.552%0.51524%0.237SC..THydrogen-bonded Turntrans-93-6.5-178.164.70000113.1D122 S162 K167D122-T165 HydrophobicContact CB-CG2 4.09Å; S162-T165 WeakPolarHBondContact CB-OG1 3.36Å; S162-T165 PolarHBondContact OG-N 3.06Å; S162-T165 PolarHBondContact OG-OG1 2.59Å; T165-K167 PolarHBondContact O-N 2.67Å
166Q97.6Very high98Very high76 Ų7645.8 Ų45.836%0.35523%0.231SC..  trans60.56.6-173.5-58.1-178.3-17.600115.2S26 N30 S162 G168 L169S26-Q166 PolarHBondContact OG-NE2 2.89Å; N30-Q166 PolarHBondContact O-NE2 3.32Å; S162-Q166 CarbonylContact O-C 3.56Å; S162-Q166 WeakPolarHBondContact O-CA 3.41Å; S162-Q166 PolarHBondContact O-N 2.7Å; Q166-G168 PolarHBondContact O-N 2.79Å; Q166-L169 HydrophobicContact CB-CB 4.34Å; Q166-L169 HydrophobicContact CB-CD2 4.09Å; Q166-L169 HydrophobicContact CG-CD2 3.86Å; Q166-L169 VanDerWaalsContact O-CB 3.26Å; Q166-L169 WeakPolarHBondContact O-CB 3.47Å; Q166-L169 PolarHBondContact O-N 3.36Å; Q166-L169 VanDerWaalsContact O-N 3.11Å
167K98.5Very high98Very high146 Ų14643.3 Ų43.364%0.63522%0.215SC*.THydrogen-bonded Turntrans-58.2125.7173.6-177176.9177.1-178.80109.8I121 C161 S162 T165 L169I121-K167 HydrophobicContact CD1-CB 4.3Å; I121-K167 HydrophobicContact CD1-CD 3.84Å; I121-K167 HydrophobicContact CD1-CG 3.99Å; C161-K167 CarbonylContact C-O 3.49Å; C161-K167 WeakPolarHBondContact CA-O 3.42Å; C161-K167 WeakPolarHBondContact CB-O 3.26Å; S162-K167 PolarHBondContact N-O 2.82Å; T165-K167 PolarHBondContact O-N 2.67Å; K167-L169 PolarHBondContact O-N 2.81Å; K167-L169 VanDerWaalsContact O-N 3.15Å
168G98.5Very high97.9Very high17 Ų1743 Ų4318%0.17522%0.217CC..THydrogen-bonded Turntrans69.6-0.4179.900000115.2Q166 D171 V172Q166-G168 PolarHBondContact O-N 2.79Å; G168-D171 PolarHBondContact O-N 2.76Å; G168-V172 WeakPolarHBondContact O-CG2 3.27Å; G168-V172 PolarHBondContact O-N 3.13Å
169L98.4Very high97.7Very high7 Ų742.2 Ų42.24%0.03722%0.215CC..Hα-helixtrans-64-50.3-173-178.563.3000111.8L23 S26 Y27 Q166 K167 D171 V172 F173L23-L169 HydrophobicContact CD1-CD1 3.32Å; L23-L169 HydrophobicContact CG-CD1 3.96Å; S26-L169 WeakPolarHBondContact OG-CD2 3.31Å; Y27-L169 HydrophobicContact CD2-CG 4.5Å; Q166-L169 HydrophobicContact CB-CB 4.34Å; Q166-L169 HydrophobicContact CB-CD2 4.09Å; Q166-L169 HydrophobicContact CG-CD2 3.86Å; Q166-L169 VanDerWaalsContact O-CB 3.26Å; Q166-L169 WeakPolarHBondContact O-CB 3.47Å; Q166-L169 PolarHBondContact O-N 3.36Å; Q166-L169 VanDerWaalsContact O-N 3.11Å; K167-L169 PolarHBondContact O-N 2.81Å; K167-L169 VanDerWaalsContact O-N 3.15Å; L169-D171 VanDerWaalsContact C-N 3.3Å; L169-D171 PolarHBondContact O-N 3.46Å; L169-V172 WeakPolarHBondContact O-CB 3.4Å; L169-V172 PolarHBondContact O-N 3.2Å; L169-F173 HydrophobicContact CD1-CE2 3.89Å; L169-F173 HydrophobicContact CG-CE2 4.47Å; L169-F173 VanDerWaalsContact O-CD2 3.29Å; L169-F173 WeakPolarHBondContact O-CD2 3.39Å
170K96.7Very high97.6Very high123 Ų12341.6 Ų41.654%0.53522%0.215SC..Hα-helixtrans-61.9-40.2177.8-170.1-173.7-177.1-55.20111.6V172 F173 D174K170-V172 PolarHBondContact O-N 2.91Å; K170-F173 PolarHBondContact O-N 3.5Å; K170-F173 VanDerWaalsContact O-N 3.11Å; K170-D174 IonicContact NZ-OD1 2.99Å; K170-D174 PolarHBondContact NZ-OD1 3.08Å; K170-D174 IonicContact NZ-OD2 3.91Å; K170-D174 PolarHBondContact NZ-OD2 3.11Å; K170-D174 PolarHBondContact O-N 2.73Å
171D98.4Very high97.3Very high83 Ų8342.9 Ų42.944%0.44422%0.223SC..Hα-helixtrans-62.8-30.8-179-57.1-39.6000112.6Q159 G168 L169 E175Q159-D171 PolarHBondContact NE2-O 3.04Å; G168-D171 PolarHBondContact O-N 2.76Å; L169-D171 VanDerWaalsContact C-N 3.3Å; L169-D171 PolarHBondContact O-N 3.46Å; D171-E175 WeakPolarHBondContact O-CB 3.47Å; D171-E175 WeakPolarHBondContact O-CG 3.28Å; D171-E175 PolarHBondContact O-N 3.23Å
172V98.8Very high96.7Very high0 Ų052.1 Ų52.10%026%0.258CS..Hα-helixtrans-62.2-48.7173.2170.30000110.7L83 V117 Q159 C161 G168 L169 K170 A176L83-V172 HydrophobicContact CD1-CG1 3.73Å; L83-V172 HydrophobicContact CD2-CG1 3.95Å; L83-V172 HydrophobicContact CG-CG1 4.49Å; V117-V172 HydrophobicContact CG1-CG1 4.24Å; V117-V172 HydrophobicContact CG1-CG2 3.9Å; V117-V172 HydrophobicContact CG2-CG1 3.88Å; Q159-V172 HydrophobicContact CB-CG2 3.74Å; Q159-V172 HydrophobicContact CG-CG2 4.5Å; C161-V172 HydrophobicContact CB-CG2 3.95Å; G168-V172 WeakPolarHBondContact O-CG2 3.27Å; G168-V172 PolarHBondContact O-N 3.13Å; L169-V172 WeakPolarHBondContact O-CB 3.4Å; L169-V172 PolarHBondContact O-N 3.2Å; K170-V172 PolarHBondContact O-N 2.91Å; V172-A176 WeakPolarHBondContact O-CB 3.4Å; V172-A176 PolarHBondContact O-N 3.07Å
173F98.2Very high95.2Very high0 Ų055.7 Ų55.70%028%0.281CS..Hα-helixtrans-77.1-36.4-176.3-66.7-77.3000112.8L23 L24 Y27 L57 L59 L83 L169 K170 E175 A176 I177L23-F173 HydrophobicContact CD2-CE2 4.48Å; L23-F173 HydrophobicContact CD2-CZ 4.03Å; L23-F173 HydrophobicContact CG-CE2 4.1Å; L23-F173 HydrophobicContact CG-CZ 3.95Å; L24-F173 HydrophobicContact CD2-CE1 3.97Å; L24-F173 HydrophobicContact CD2-CZ 3.94Å; Y27-F173 HydrophobicContact CD1-CD1 4.01Å; Y27-F173 AromaticContact CD1-CD2 3.65Å; Y27-F173 HydrophobicContact CD1-CD2 3.65Å; Y27-F173 HydrophobicContact CD1-CE1 4.06Å; Y27-F173 AromaticContact CD1-CE2 3.72Å; Y27-F173 HydrophobicContact CD1-CE2 3.72Å; Y27-F173 AromaticContact CD1-CG 3.81Å; Y27-F173 HydrophobicContact CD1-CG 3.81Å; Y27-F173 AromaticContact CD1-CZ 3.91Å; Y27-F173 HydrophobicContact CD1-CZ 3.91Å; Y27-F173 HydrophobicContact CD2-CB 4.43Å; Y27-F173 AromaticContact CD2-CD2 3.34Å; Y27-F173 HydrophobicContact CD2-CD2 3.34Å; Y27-F173 AromaticContact CD2-CE2 3.79Å; Y27-F173 HydrophobicContact CD2-CE2 3.79Å; Y27-F173 HydrophobicContact CD2-CG 4.02Å; Y27-F173 HydrophobicContact CE1-CB 4.03Å; Y27-F173 AromaticContact CE1-CD1 3.95Å; Y27-F173 HydrophobicContact CE1-CD1 3.95Å; Y27-F173 AromaticContact CE1-CD2 3.94Å; Y27-F173 HydrophobicContact CE1-CD2 3.94Å; Y27-F173 HydrophobicContact CE1-CE1 4.43Å; Y27-F173 HydrophobicContact CE1-CE2 4.43Å; Y27-F173 AromaticContact CE1-CG 3.68Å; Y27-F173 HydrophobicContact CE1-CG 3.68Å; Y27-F173 HydrophobicContact CE2-CB 3.86Å; Y27-F173 AromaticContact CE2-CD2 3.66Å; Y27-F173 HydrophobicContact CE2-CD2 3.66Å; Y27-F173 AromaticContact CE2-CG 3.91Å; Y27-F173 HydrophobicContact CE2-CG 3.91Å; Y27-F173 AromaticContact CG-CD2 3.33Å; Y27-F173 HydrophobicContact CG-CD2 3.33Å; Y27-F173 AromaticContact CG-CE2 3.34Å; Y27-F173 HydrophobicContact CG-CE2 3.34Å; Y27-F173 AromaticContact CG-CG 3.97Å; Y27-F173 HydrophobicContact CG-CG 3.97Å; Y27-F173 AromaticContact CG-CZ 3.97Å; Y27-F173 HydrophobicContact CG-CZ 3.97Å; Y27-F173 AromaticContact CZ-CD2 3.95Å; Y27-F173 AromaticContact CZ-CG 3.74Å; L57-F173 HydrophobicContact CD2-CD1 4.11Å; L59-F173 HydrophobicContact CD1-CE1 4.28Å; L59-F173 HydrophobicContact CD2-CD1 3.98Å; L59-F173 HydrophobicContact CD2-CE1 3.66Å; L83-F173 HydrophobicContact CD1-CD1 4.4Å; L83-F173 HydrophobicContact CD1-CE1 3.92Å; L83-F173 HydrophobicContact CD1-CZ 4.37Å; L169-F173 HydrophobicContact CD1-CE2 3.89Å; L169-F173 HydrophobicContact CG-CE2 4.47Å; L169-F173 VanDerWaalsContact O-CD2 3.29Å; L169-F173 WeakPolarHBondContact O-CD2 3.39Å; K170-F173 PolarHBondContact O-N 3.5Å; K170-F173 VanDerWaalsContact O-N 3.11Å; F173-E175 VanDerWaalsContact C-N 3.3Å; F173-E175 PolarHBondContact O-N 3.49Å; F173-A176 PolarHBondContact O-N 3.33Å; F173-I177 WeakPolarHBondContact O-CB 3.14Å; F173-I177 WeakPolarHBondContact O-CD1 3.31Å; F173-I177 WeakPolarHBondContact O-CG1 3.48Å; F173-I177 PolarHBondContact O-N 2.77Å
174D96.6Very high93.5Very high52 Ų5259.4 Ų59.428%0.27830%0.304SS..Hα-helixtrans-57.4-46.2172.9-75-7.5000110.6K170 I177 L178K170-D174 IonicContact NZ-OD1 2.99Å; K170-D174 PolarHBondContact NZ-OD1 3.08Å; K170-D174 IonicContact NZ-OD2 3.91Å; K170-D174 PolarHBondContact NZ-OD2 3.11Å; K170-D174 PolarHBondContact O-N 2.73Å; D174-I177 PolarHBondContact O-N 2.95Å; D174-L178 WeakPolarHBondContact O-CB 3.35Å; D174-L178 VanDerWaalsContact O-CG 3.27Å; D174-L178 WeakPolarHBondContact O-CG 3.35Å; D174-L178 PolarHBondContact O-N 3.2Å
175E97.7Very high91.8Very high45 Ų4560.9 Ų60.921%0.2132%0.317CS..Hα-helixtrans-70.7-32.8178.9-66.4-73.2169.800112.6L115 K157 D171 F173 L178 A179L115-E175 HydrophobicContact CD2-CB 3.53Å; K157-E175 HydrophobicContact CD-CB 4.41Å; K157-E175 VanDerWaalsContact CD-CD 3.47Å; K157-E175 HydrophobicContact CD-CG 3.84Å; K157-E175 VanDerWaalsContact CD-OE2 3.24Å; K157-E175 WeakPolarHBondContact CD-OE2 3.37Å; K157-E175 IonicContact NZ-OE1 2.7Å; K157-E175 PolarHBondContact NZ-OE1 2.58Å; K157-E175 IonicContact NZ-OE2 3.23Å; K157-E175 PolarHBondContact NZ-OE2 3.12Å; D171-E175 WeakPolarHBondContact O-CB 3.47Å; D171-E175 WeakPolarHBondContact O-CG 3.28Å; D171-E175 PolarHBondContact O-N 3.23Å; F173-E175 VanDerWaalsContact C-N 3.3Å; F173-E175 PolarHBondContact O-N 3.49Å; E175-L178 PolarHBondContact O-N 3.34Å; E175-A179 VanDerWaalsContact O-CB 3.26Å; E175-A179 WeakPolarHBondContact O-CB 3.35Å; E175-A179 PolarHBondContact O-N 3.42Å
176A98.2Very high89.8Confident0 Ų062.3 Ų62.30%032%0.322CS..Hα-helixtrans-65.1-44.617300000111.8V81 L83 L115 V172 F173 A179 A180V81-A176 HydrophobicContact CG1-CB 4.19Å; V81-A176 HydrophobicContact CG2-CB 4.27Å; L83-A176 HydrophobicContact CD2-CB 3.91Å; L115-A176 HydrophobicContact CD1-CB 4.31Å; L115-A176 HydrophobicContact CD2-CB 4.43Å; V172-A176 WeakPolarHBondContact O-CB 3.4Å; V172-A176 PolarHBondContact O-N 3.07Å; F173-A176 PolarHBondContact O-N 3.33Å; A176-A179 PolarHBondContact O-N 2.95Å; A176-A180 WeakPolarHBondContact O-CB 3.28Å; A176-A180 PolarHBondContact O-N 2.93Å
177I97Very high87.6Confident7 Ų770.7 Ų70.74%0.03635%0.35CS..Hα-helixtrans-60.4-46.7174.7-69.5159.6000110.1I8 V48 V50 L57 F173 D174 A179 A180 L181I8-I177 HydrophobicContact CD1-CG2 3.92Å; V48-I177 HydrophobicContact CB-CD1 4.29Å; V48-I177 HydrophobicContact CG1-CD1 4.32Å; V48-I177 HydrophobicContact CG2-CD1 3.82Å; V50-I177 HydrophobicContact CG1-CG2 4.48Å; V50-I177 HydrophobicContact CG2-CG2 3.6Å; L57-I177 HydrophobicContact CD1-CG1 4.26Å; L57-I177 HydrophobicContact CD2-CD1 4.13Å; L57-I177 HydrophobicContact CD2-CG1 4.16Å; F173-I177 WeakPolarHBondContact O-CB 3.14Å; F173-I177 WeakPolarHBondContact O-CD1 3.31Å; F173-I177 WeakPolarHBondContact O-CG1 3.48Å; F173-I177 PolarHBondContact O-N 2.77Å; D174-I177 PolarHBondContact O-N 2.95Å; I177-A179 VanDerWaalsContact C-N 3.34Å; I177-A179 PolarHBondContact O-N 3.35Å; I177-A180 PolarHBondContact O-N 3.14Å; I177-L181 HydrophobicContact CG2-CD1 3.77Å; I177-L181 HydrophobicContact CG2-CG 4.43Å; I177-L181 WeakPolarHBondContact O-CB 3.42Å; I177-L181 WeakPolarHBondContact O-CG 3.37Å; I177-L181 PolarHBondContact O-N 2.95Å
178L95.3Very high85.1Confident72 Ų7271 Ų7138%0.37735%0.352SS..Hα-helixtrans-61.6-42177.2-72.4173.8000111.9D174 E175 L181 R182D174-L178 WeakPolarHBondContact O-CB 3.35Å; D174-L178 VanDerWaalsContact O-CG 3.27Å; D174-L178 WeakPolarHBondContact O-CG 3.35Å; D174-L178 PolarHBondContact O-N 3.2Å; E175-L178 PolarHBondContact O-N 3.34Å; L178-L181 PolarHBondContact O-N 3.46Å; L178-R182 WeakPolarHBondContact O-CB 3.37Å; L178-R182 PolarHBondContact O-N 2.95Å
179A96.3Very high82.4Confident4 Ų476.1 Ų76.13%0.03338%0.375CS..Hα-helixtrans-62.7-41177.100000112.4V81 P113 L115 V156 E175 A176 I177 R182 P183V81-A179 HydrophobicContact CG2-CB 4.13Å; P113-A179 HydrophobicContact CB-CB 4.34Å; P113-A179 HydrophobicContact CG-CB 4.45Å; L115-A179 HydrophobicContact CD1-CB 3.81Å; V156-A179 HydrophobicContact CB-CB 4.25Å; V156-A179 HydrophobicContact CG1-CB 3.95Å; V156-A179 HydrophobicContact CG2-CB 4.1Å; E175-A179 VanDerWaalsContact O-CB 3.26Å; E175-A179 WeakPolarHBondContact O-CB 3.35Å; E175-A179 PolarHBondContact O-N 3.42Å; A176-A179 PolarHBondContact O-N 2.95Å; I177-A179 VanDerWaalsContact C-N 3.34Å; I177-A179 PolarHBondContact O-N 3.35Å; A179-R182 CarbonylContact O-C 3.49Å; A179-P183 WeakPolarHBondContact O-CA 3.38Å
180A95.8Very high79.7Confident20 Ų2085.7 Ų85.717%0.16542%0.416CS..Hα-helixtrans-66.7-42.4176.600000112.4I8 D80 V81 A176 I177I8-A180 HydrophobicContact CG2-CB 3.57Å; D80-A180 HydrophobicContact CB-CB 3.96Å; V81-A180 HydrophobicContact CB-CB 4.1Å; V81-A180 HydrophobicContact CG1-CB 4.08Å; A176-A180 WeakPolarHBondContact O-CB 3.28Å; A176-A180 PolarHBondContact O-N 2.93Å; I177-A180 PolarHBondContact O-N 3.14Å
181L92.6Very high77.2Confident61 Ų6189.6 Ų89.632%0.31943%0.428SS..Hα-helixtrans-80.1-26.5-176.9-67.7176.4000113.7I8 V50 Y55 I177 L178 P183I8-L181 HydrophobicContact CD1-CD1 4.15Å; I8-L181 HydrophobicContact CD1-CD2 3.88Å; I8-L181 HydrophobicContact CD1-CG 3.85Å; I8-L181 HydrophobicContact CG1-CD2 4.4Å; V50-L181 HydrophobicContact CB-CD1 4.33Å; V50-L181 HydrophobicContact CG1-CD1 3.7Å; V50-L181 HydrophobicContact CG2-CD1 4.35Å; Y55-L181 HydrophobicContact CD1-CD2 4.36Å; Y55-L181 HydrophobicContact CE1-CD1 4.46Å; Y55-L181 HydrophobicContact CE1-CD2 3.65Å; I177-L181 HydrophobicContact CG2-CD1 3.77Å; I177-L181 HydrophobicContact CG2-CG 4.43Å; I177-L181 WeakPolarHBondContact O-CB 3.42Å; I177-L181 WeakPolarHBondContact O-CG 3.37Å; I177-L181 PolarHBondContact O-N 2.95Å; L178-L181 PolarHBondContact O-N 3.46Å; L181-P183 VanDerWaalsContact C-CD 3.48Å
182R85.2Confident74.4Confident196 Ų19690.5 Ų90.574%0.7444%0.439SS*.SBendtrans-128.267.2179.9-59.5-177.6-177-1761.6109.1L178 A179L178-R182 WeakPolarHBondContact O-CB 3.37Å; L178-R182 PolarHBondContact O-N 2.95Å; A179-R182 CarbonylContact O-C 3.49Å
183P67.2Low71.7Confident74 Ų7496.1 Ų96.148%0.48148%0.477SS..  trans-55.4140.6178.422.9-31.9000108.9A179 L181 T185A179-P183 WeakPolarHBondContact O-CA 3.38Å; L181-P183 VanDerWaalsContact C-CD 3.48Å; P183-T185 PolarHBondContact O-N 3.47Å
184P63.2Low69.1Low89 Ų89103.4 Ų103.458%0.57852%0.515SS*.  trans-50.7115.6-179.6-23.530.7000108.7V156 D186V156-P184 HydrophobicContact CG2-CG 4.03Å; P184-D186 PolarHBondContact O-N 3.38Å; P184-D186 VanDerWaalsContact O-N 3.08Å
185T60.3Low66.4Low123 Ų123112.6 Ų112.676%0.75556%0.563SS**  trans-56125.2171.453.60000105.7P183 R187P183-T185 PolarHBondContact O-N 3.47Å; T185-R187 PolarHBondContact O-N 3.12Å
186D55.1Low64.8Low114 Ų114116 Ų11661%0.6158%0.581SS**  trans-40.2115.3172.4-141.8-5.4000105.7P184 K188P184-D186 PolarHBondContact O-N 3.38Å; P184-D186 VanDerWaalsContact O-N 3.08Å; D186-K188 HydrophobicContact CB-CD 4.24Å; D186-K188 HydrophobicContact CB-CG 4.14Å; D186-K188 PolarHBondContact O-N 2.86Å; D186-K188 WeakPolarHBondContact OD2-CD 3.37Å; D186-K188 WeakPolarHBondContact OD2-CE 3.49Å; D186-K188 IonicContact OD2-NZ 2.84Å; D186-K188 PolarHBondContact OD2-NZ 3.36Å
187R51.6Low63.1Low251 Ų251122.1 Ų122.195%0.94761%0.611SS**  trans-70.248.7177.8-70.1-174.7-178.6-178.32.1108.3T185 N189T185-R187 PolarHBondContact O-N 3.12Å; R187-N189 PolarHBondContact O-N 3.11Å; R187-N189 VanDerWaalsContact O-N 3.07Å
188K45.6Very low61.2Low154 Ų154128.4 Ų128.467%0.6764%0.643SS**  trans-71.1102.7173.3-85.6179.1171.8141.90106.3D186D186-K188 HydrophobicContact CB-CD 4.24Å; D186-K188 HydrophobicContact CB-CG 4.14Å; D186-K188 PolarHBondContact O-N 2.86Å; D186-K188 WeakPolarHBondContact OD2-CD 3.37Å; D186-K188 WeakPolarHBondContact OD2-CE 3.49Å; D186-K188 IonicContact OD2-NZ 2.84Å; D186-K188 PolarHBondContact OD2-NZ 3.36Å
189N42.2Very low59.2Low123 Ų123131.8 Ų131.866%0.65866%0.659SS**  trans58.877.8151.6-61.4-16.9000114.8R187 R191R187-N189 PolarHBondContact O-N 3.11Å; R187-N189 VanDerWaalsContact O-N 3.07Å; N189-R191 HydrophobicContact CB-CG 4.23Å; N189-R191 PolarHBondContact O-N 3.3Å
190K42.1Very low56.9Low208 Ų208139.8 Ų139.890%0.90470%0.698SS**  -64.278126.6-74.2-169.7178.7-176.10106.5C192K190-C192 PolarHBondContact O-N 3.06Å
191R43.5Very low54.3Low206 Ų206147.7 Ų147.778%0.77773%0.733SS**  trans-5794.4154.6-98.3177.9170.6179.9-4.1103.4N189 C193N189-R191 HydrophobicContact CB-CG 4.23Å; N189-R191 PolarHBondContact O-N 3.3Å; R191-C193 PolarHBondContact O-N 3.41Å
192C38.8Very low51.5Low102 Ų102153.9 Ų153.969%0.68976%0.763SS**  trans-63.696.3161-145.40000103.5K190 L194K190-C192 PolarHBondContact O-N 3.06Å; C192-L194 PolarHBondContact O-N 3.43Å
193C42.6Very low48.9Very low117 Ų117150.7 Ų150.779%0.79177%0.765SS**  trans-6282.6158.4-67.90000105.4R191 L195R191-C193 PolarHBondContact O-N 3.41Å; C193-L195 PolarHBondContact O-N 3.03Å
194L44.3Very low47.4Very low154 Ų154157.1 Ų157.181%0.80679%0.788SS**  trans-70.5113.6159.3-78.8159000104.8C192C192-L194 PolarHBondContact O-N 3.43Å
195L39.8Very low46Very low244 Ų244163.3 Ų163.3100%1.27781%0.808SS**  trans-51.70169.3-71.2157.8000111.4C193C193-L195 PolarHBondContact O-N 3.03Å

Retrieved 195 of 195 residues in 45.5 ms (Link to these results)

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