A0A087XGG2_POEFO Loading...

Actin-related protein 2/3 complex subunit 4

Actin-binding component of the Arp2/3 complex, a multiprotein complex that mediates actin polymerization upon stimulation by nucleation-promoting factor (NPF). The Arp2/3 complex mediates the formation of branched actin networks in the cytoplasm, providing the force for cell motility. In addition to its role in the cytoplasmic cytoskeleton, the Arp2/3 complex also promotes actin polymerization in the nucleus, thereby regulating gene transcription and repair of damaged DNA. The Arp2/3 complex promotes homologous recombination (HR) repair in response to DNA damage by promoting nuclear actin polymerization, leading to drive motility of double-strand breaks (DSBs). Functions as actin-binding component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks. Seems to contact the mother actin filament.

AlphaFold DB (A0A3B4VHN3), UniProt , Accession A0A087XGG2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 168 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
1M50.8Low87.2Confident210 Ų21088.3 Ų88.3100%1.03449%0.49SS*.  040-98.5-172.5-89.200114.6R55M1-R55 PolarHBondContact O-NH2 3.19Å
2T61.9Low88.1Confident128 Ų12880.9 Ų80.979%0.78545%0.449SS*.  trans-79.9-22.3175.9400000114T4 L5T2-T4 VanDerWaalsContact C-N 3.27Å; T2-T4 PolarHBondContact O-N 3.26Å; T2-L5 PolarHBondContact O-N 3.49Å
3A79.9Confident88.9Confident84 Ų8480.5 Ų80.569%0.69444%0.436SS*.THydrogen-bonded Turntrans-64-24.3-174.900000114.8P7A3-P7 WeakPolarHBondContact O-CD 3.37Å
4T92.8Very high89.6Confident75 Ų7578.9 Ų78.946%0.4644%0.44SS..THydrogen-bonded Turntrans-95.2-13.9-17661.80000114.5T2 Y8 R55T2-T4 VanDerWaalsContact C-N 3.27Å; T2-T4 PolarHBondContact O-N 3.26Å; T4-Y8 WeakPolarHBondContact O-CB 3.45Å; T4-Y8 PolarHBondContact O-N 2.89Å; T4-R55 PolarHBondContact OG1-NE 3.41Å; T4-R55 VanDerWaalsContact OG1-NE 3.16Å
5L92.2Very high90.2Very high56 Ų5676.3 Ų76.329%0.29343%0.427SS..Hα-helixtrans-66.9-48.5-178.4-179.959.8000111.3T2 Y8 L9T2-L5 PolarHBondContact O-N 3.49Å; L5-Y8 HydrophobicContact CD1-CD1 4.42Å; L5-Y8 WeakPolarHBondContact O-CB 3.35Å; L5-Y8 PolarHBondContact O-N 3.29Å; L5-L9 HydrophobicContact CD1-CD1 3.88Å; L5-L9 HydrophobicContact CD1-CD2 4.41Å; L5-L9 HydrophobicContact CD1-CG 3.95Å; L5-L9 HydrophobicContact CG-CD1 3.87Å; L5-L9 HydrophobicContact CG-CG 4.31Å; L5-L9 WeakPolarHBondContact O-CG 3.39Å; L5-L9 PolarHBondContact O-N 3.42Å
6R94.5Very high90.7Very high192 Ų19271.6 Ų71.673%0.72540%0.4SS*.Hα-helixtrans-63.3-45.9-177.5-174.8172.1-174.2167.20.7112.9Y8 L9 N10R6-Y8 VanDerWaalsContact C-N 3.32Å; R6-Y8 PolarHBondContact O-N 3.47Å; R6-L9 PolarHBondContact O-N 3.04Å; R6-N10 WeakPolarHBondContact O-CB 3.39Å; R6-N10 PolarHBondContact O-N 3.34Å; R6-N10 PolarHBondContact O-ND2 3.37Å
7P96.9Very high91.1Very high77 Ų7774.8 Ų74.850%0.541%0.411SS..Hα-helixtrans-58.1-41.6171.9-26.434.9000113.5A3 N10 A11A3-P7 WeakPolarHBondContact O-CD 3.37Å; P7-N10 PolarHBondContact O-N 3.12Å; P7-A11 PolarHBondContact O-N 3.15Å
8Y97.3Very high91.5Very high16 Ų1674.6 Ų74.66%0.06342%0.421CS..Hα-helixtrans-61.2-51177.3170.2-118.9000112.1T4 L5 R6 N10 A11 V12 I53 R55 K60 V61 M139T4-Y8 WeakPolarHBondContact O-CB 3.45Å; T4-Y8 PolarHBondContact O-N 2.89Å; L5-Y8 HydrophobicContact CD1-CD1 4.42Å; L5-Y8 WeakPolarHBondContact O-CB 3.35Å; L5-Y8 PolarHBondContact O-N 3.29Å; R6-Y8 VanDerWaalsContact C-N 3.32Å; R6-Y8 PolarHBondContact O-N 3.47Å; Y8-N10 VanDerWaalsContact C-N 3.32Å; Y8-N10 PolarHBondContact O-N 3.49Å; Y8-A11 PolarHBondContact O-N 3.28Å; Y8-V12 HydrophobicContact CD2-CG2 4.28Å; Y8-V12 HydrophobicContact CE2-CG2 4.01Å; Y8-V12 WeakPolarHBondContact O-CG2 3.31Å; Y8-V12 PolarHBondContact O-N 3.38Å; Y8-I53 HydrophobicContact CD2-CG2 3.81Å; Y8-I53 HydrophobicContact CE2-CB 4.44Å; Y8-I53 HydrophobicContact CE2-CG2 3.87Å; Y8-I53 WeakPolarHBondContact CE2-O 3.46Å; Y8-R55 HydrophobicContact CD1-CB 3.99Å; Y8-R55 HydrophobicContact CD1-CG 4.37Å; Y8-R55 HydrophobicContact CD2-CB 3.78Å; Y8-R55 HydrophobicContact CE1-CB 4.19Å; Y8-R55 HydrophobicContact CE2-CB 4.01Å; Y8-R55 HydrophobicContact CG-CB 3.75Å; Y8-R55 HydrophobicContact CG-CG 4.17Å; Y8-K60 WeakPolarHBondContact OH-CA 3.29Å; Y8-V61 WeakPolarHBondContact OH-CG2 3.32Å; Y8-V61 PolarHBondContact OH-N 3.35Å; Y8-M139 HydrophobicContact CD1-CE 4.47Å; Y8-M139 HydrophobicContact CE1-CE 3.58Å
9L96.9Very high91.8Very high6 Ų671.5 Ų71.53%0.03141%0.406CS..Hα-helixtrans-64.3-35.8178.4-64.9176.9000112.3L5 R6 V12 R13 I136 M139 E140L5-L9 HydrophobicContact CD1-CD1 3.88Å; L5-L9 HydrophobicContact CD1-CD2 4.41Å; L5-L9 HydrophobicContact CD1-CG 3.95Å; L5-L9 HydrophobicContact CG-CD1 3.87Å; L5-L9 HydrophobicContact CG-CG 4.31Å; L5-L9 WeakPolarHBondContact O-CG 3.39Å; L5-L9 PolarHBondContact O-N 3.42Å; R6-L9 PolarHBondContact O-N 3.04Å; L9-V12 PolarHBondContact O-N 3.39Å; L9-R13 WeakPolarHBondContact O-CB 3.21Å; L9-R13 PolarHBondContact O-N 3.33Å; L9-I136 HydrophobicContact CB-CG2 4.42Å; L9-M139 HydrophobicContact CD2-CB 3.98Å; L9-M139 HydrophobicContact CD2-CE 3.83Å; L9-M139 HydrophobicContact CD2-SD 4.35Å; L9-E140 HydrophobicContact CD1-CG 3.43Å; L9-E140 VanDerWaalsContact CD1-CG 3.43Å; L9-E140 WeakPolarHBondContact CD1-OE1 3.31Å
10N97.8Very high92Very high86 Ų8668.1 Ų68.146%0.4639%0.387SS..Hα-helixtrans-63.8-41.7174.1-73.9-10.9000112R6 P7 Y8 R13 A14R6-N10 WeakPolarHBondContact O-CB 3.39Å; R6-N10 PolarHBondContact O-N 3.34Å; R6-N10 PolarHBondContact O-ND2 3.37Å; P7-N10 PolarHBondContact O-N 3.12Å; Y8-N10 VanDerWaalsContact C-N 3.32Å; Y8-N10 PolarHBondContact O-N 3.49Å; N10-R13 PolarHBondContact O-N 3.09Å; N10-A14 WeakPolarHBondContact O-CB 3.29Å; N10-A14 PolarHBondContact O-N 2.89Å
11A98.3Very high92.2Very high41 Ų4168.9 Ų68.934%0.33940%0.395SS..Hα-helixtrans-64.6-44176.400000111.4P7 Y8 T15 I53P7-A11 PolarHBondContact O-N 3.15Å; Y8-A11 PolarHBondContact O-N 3.28Å; A11-T15 WeakPolarHBondContact O-CB 3.42Å; A11-T15 PolarHBondContact O-N 3.19Å; A11-T15 PolarHBondContact O-OG1 3.47Å; A11-I53 HydrophobicContact CB-CG2 4.08Å
12V98.3Very high94.5Very high0 Ų059.9 Ų59.90%035%0.351CS..Hα-helixtrans-61.5-46.7175.1176.10000110.6Y8 L9 A14 T15 L16 I53 V61 I136 M139Y8-V12 HydrophobicContact CD2-CG2 4.28Å; Y8-V12 HydrophobicContact CE2-CG2 4.01Å; Y8-V12 WeakPolarHBondContact O-CG2 3.31Å; Y8-V12 PolarHBondContact O-N 3.38Å; L9-V12 PolarHBondContact O-N 3.39Å; V12-A14 PolarHBondContact O-N 2.9Å; V12-T15 PolarHBondContact O-N 3.07Å; V12-L16 HydrophobicContact CG1-CD1 3.81Å; V12-L16 HydrophobicContact CG1-CG 4.21Å; V12-L16 WeakPolarHBondContact O-CB 3.45Å; V12-L16 VanDerWaalsContact O-CG 3.31Å; V12-L16 WeakPolarHBondContact O-CG 3.31Å; V12-L16 PolarHBondContact O-N 2.99Å; V12-I53 HydrophobicContact CB-CD1 4.35Å; V12-I53 HydrophobicContact CG2-CB 4.15Å; V12-I53 HydrophobicContact CG2-CD1 3.91Å; V12-I53 HydrophobicContact CG2-CG2 3.96Å; V12-V61 HydrophobicContact CG1-CG2 4.4Å; V12-V61 HydrophobicContact CG2-CB 4.32Å; V12-V61 HydrophobicContact CG2-CG2 4.02Å; V12-I136 HydrophobicContact CB-CD1 4.13Å; V12-I136 HydrophobicContact CG1-CD1 3.87Å; V12-M139 HydrophobicContact CG1-CE 4.46Å; V12-M139 HydrophobicContact CG1-SD 3.95Å; V12-M139 HydrophobicContact CG2-CE 4.29Å
13R98.6Very high96.1Very high75 Ų7560.3 Ų60.328%0.28335%0.345SS..Hα-helixtrans-57.3-50.9178175.9178.8-70.8-823.5112.3L9 N10 T15 L16 Q17 V132 D133 I136L9-R13 WeakPolarHBondContact O-CB 3.21Å; L9-R13 PolarHBondContact O-N 3.33Å; N10-R13 PolarHBondContact O-N 3.09Å; R13-T15 VanDerWaalsContact C-N 3.28Å; R13-T15 PolarHBondContact O-N 3.4Å; R13-L16 PolarHBondContact O-N 2.98Å; R13-Q17 WeakPolarHBondContact O-CB 3.39Å; R13-Q17 PolarHBondContact O-N 3.44Å; R13-V132 HydrophobicContact CB-CG1 4.49Å; R13-V132 HydrophobicContact CG-CG1 3.86Å; R13-D133 IonicContact CZ-OD1 3.47Å; R13-D133 IonicContact NH1-OD1 2.68Å; R13-D133 PolarHBondContact NH1-OD1 2.83Å; R13-D133 IonicContact NH2-OD1 3.35Å; R13-D133 PolarHBondContact NH2-OD1 3.49Å; R13-I136 HydrophobicContact CB-CD1 3.94Å; R13-I136 HydrophobicContact CB-CG1 4.05Å
14A98.5Very high96.9Very high59 Ų5960.7 Ų60.749%0.48834%0.335SS..Hα-helixtrans-61.1-40.6179.600000111.4N10 V12 Q17 A18N10-A14 WeakPolarHBondContact O-CB 3.29Å; N10-A14 PolarHBondContact O-N 2.89Å; V12-A14 PolarHBondContact O-N 2.9Å; A14-Q17 PolarHBondContact O-N 2.75Å; A14-A18 PolarHBondContact O-N 2.84Å
15T98.5Very high97.1Very high40 Ų4059.2 Ų59.225%0.24532%0.322CS..Hα-helixtrans-68.7-41.3179-52.50000112A11 V12 R13 Q17 A18 A19 V51 I53 I63A11-T15 WeakPolarHBondContact O-CB 3.42Å; A11-T15 PolarHBondContact O-N 3.19Å; A11-T15 PolarHBondContact O-OG1 3.47Å; V12-T15 PolarHBondContact O-N 3.07Å; R13-T15 VanDerWaalsContact C-N 3.28Å; R13-T15 PolarHBondContact O-N 3.4Å; T15-Q17 VanDerWaalsContact C-N 3.34Å; T15-A18 PolarHBondContact O-N 2.99Å; T15-A19 WeakPolarHBondContact O-CB 3.19Å; T15-A19 PolarHBondContact O-N 3.43Å; T15-V51 HydrophobicContact CG2-CG2 3.61Å; T15-I53 HydrophobicContact CG2-CD1 4.11Å; T15-I53 WeakPolarHBondContact OG1-CD1 3.48Å; T15-I63 HydrophobicContact CG2-CD1 3.65Å
16L98.1Very high97.3Very high1 Ų160.9 Ų60.91%0.00534%0.338CS..Hα-helixtrans-63.8-39.9174-71.9172.5000111.9V12 R13 A18 A19 L20 I63 V72 V132 V135 I136V12-L16 HydrophobicContact CG1-CD1 3.81Å; V12-L16 HydrophobicContact CG1-CG 4.21Å; V12-L16 WeakPolarHBondContact O-CB 3.45Å; V12-L16 VanDerWaalsContact O-CG 3.31Å; V12-L16 WeakPolarHBondContact O-CG 3.31Å; V12-L16 PolarHBondContact O-N 2.99Å; R13-L16 PolarHBondContact O-N 2.98Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 2.98Å; L16-A19 PolarHBondContact O-N 3.44Å; L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 WeakPolarHBondContact O-CG 3.14Å; L16-L20 PolarHBondContact O-N 2.94Å; L16-I63 HydrophobicContact CD2-CD1 3.79Å; L16-I63 HydrophobicContact CD2-CG1 4.27Å; L16-I63 HydrophobicContact CD2-CG2 4.44Å; L16-I63 HydrophobicContact CG-CD1 3.95Å; L16-V72 HydrophobicContact CD2-CG1 4.22Å; L16-V72 HydrophobicContact CD2-CG2 3.53Å; L16-V132 HydrophobicContact CB-CG1 4.29Å; L16-V132 HydrophobicContact CB-CG2 4.13Å; L16-V135 HydrophobicContact CD1-CB 4.03Å; L16-V135 HydrophobicContact CD1-CG1 3.7Å; L16-I136 HydrophobicContact CD1-CD1 4.41Å
17Q97.8Very high97.3Very high125 Ų12552.6 Ų52.658%0.58431%0.31SS*.Hα-helixtrans-62.9-36.5176.2-177.6173.1-1700112R13 A14 T15R13-Q17 WeakPolarHBondContact O-CB 3.39Å; R13-Q17 PolarHBondContact O-N 3.44Å; A14-Q17 PolarHBondContact O-N 2.75Å; T15-Q17 VanDerWaalsContact C-N 3.34Å
18A97.6Very high97.1Very high72 Ų7254.5 Ų54.560%0.59531%0.312SS*.Hα-helixtrans-73.3-38.1174.200000112.6A14 T15 L16A14-A18 PolarHBondContact O-N 2.84Å; T15-A18 PolarHBondContact O-N 2.99Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 2.98Å
19A97.5Very high96.9Very high15 Ų1558.2 Ų58.212%0.12434%0.336CS..Hα-helixtrans-74.8-32.1-178.100000113.3T15 L16 C21 I63 V70T15-A19 WeakPolarHBondContact O-CB 3.19Å; T15-A19 PolarHBondContact O-N 3.43Å; L16-A19 PolarHBondContact O-N 3.44Å; A19-C21 PolarHBondContact O-N 3.48Å; A19-I63 HydrophobicContact CB-CG2 4.03Å; A19-V70 HydrophobicContact CB-CG1 4.18Å; A19-V70 HydrophobicContact CB-CG2 4.12Å; A19-V70 VanDerWaalsContact O-CG2 3.26Å; A19-V70 WeakPolarHBondContact O-CG2 3.28Å
20L96.8Very high96.7Very high4 Ų460.5 Ų60.52%0.02135%0.35CS..  trans-81.846.4-179.1-68.9172.8000113L16 L22 V70 I118 V132L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 WeakPolarHBondContact O-CG 3.14Å; L16-L20 PolarHBondContact O-N 2.94Å; L20-L22 HydrophobicContact CD2-CD1 4.24Å; L20-V70 HydrophobicContact CD2-CB 4.16Å; L20-V70 HydrophobicContact CD2-CG2 3.87Å; L20-I118 HydrophobicContact CD1-CD1 4.33Å; L20-I118 HydrophobicContact CD2-CB 3.97Å; L20-I118 HydrophobicContact CD2-CD1 3.99Å; L20-I118 HydrophobicContact CD2-CG2 3.59Å; L20-V132 HydrophobicContact CD1-CG2 3.59Å
21C96.4Very high96.3Very high85 Ų8563.5 Ų63.557%0.57436%0.361SS*.  trans-106.568.5169.1-680000108A19A19-C21 PolarHBondContact O-N 3.48Å
22L97.8Very high96Very high21 Ų2172.6 Ų72.611%0.1139%0.387CS..  trans-95.6144.2-171.9-60.3-177.1000111.6L20 S66 I67 V70 I118 N120 T123L20-L22 HydrophobicContact CD2-CD1 4.24Å; L22-S66 WeakPolarHBondContact CD2-O 3.36Å; L22-I67 WeakPolarHBondContact CA-O 3.45Å; L22-V70 HydrophobicContact CD1-CG2 4.33Å; L22-V70 HydrophobicContact CD2-CG2 3.8Å; L22-V70 HydrophobicContact CG-CG2 4.34Å; L22-I118 HydrophobicContact CD1-CG2 4.35Å; L22-N120 HydrophobicContact CB-CB 4.24Å; L22-T123 HydrophobicContact CD1-CG2 4.36Å
23E96.8Very high95.8Very high137 Ų13776.9 Ų76.964%0.6441%0.407SS*.  trans-126.4151.2175.2-66.5-178.6-157.300110.6F25 I67 N68E23-F25 PolarHBondContact O-N 2.77Å; E23-I67 PolarHBondContact N-O 3.38Å; E23-N68 WeakPolarHBondContact O-CA 3.43Å; E23-N68 WeakPolarHBondContact O-CB 3.39Å
24N96.9Very high95.6Very high92 Ų9276 Ų7649%0.49241%0.408SS..  trans-68.8121.2174.4-169.8-5.5000109.7N34 N120N24-N34 PolarHBondContact OD1-ND2 2.92Å; N24-N120 WeakPolarHBondContact CB-ND2 3.02Å
25F96.8Very high95.4Very high43 Ų4376.4 Ų76.419%0.18940%0.399CS..  trans-132.3123.5-173.8-164.7-93.7000111.3E23 Q28 N34 L46 I67 N68E23-F25 PolarHBondContact O-N 2.77Å; F25-Q28 HydrophobicContact CE1-CG 4.07Å; F25-Q28 HydrophobicContact CZ-CG 4.24Å; F25-N34 PolarHBondContact O-OD1 3.35Å; F25-L46 HydrophobicContact CD1-CD1 3.95Å; F25-L46 HydrophobicContact CE1-CD1 3.3Å; F25-L46 HydrophobicContact CE1-CD2 3.94Å; F25-L46 HydrophobicContact CE1-CG 4.28Å; F25-L46 HydrophobicContact CE2-CD2 4.2Å; F25-L46 HydrophobicContact CZ-CD1 3.88Å; F25-L46 HydrophobicContact CZ-CD2 3.63Å; F25-L46 HydrophobicContact CZ-CG 4.43Å; F25-I67 HydrophobicContact CB-CG1 4.45Å; F25-I67 HydrophobicContact CB-CG2 3.87Å; F25-I67 HydrophobicContact CD1-CG2 3.99Å; F25-I67 HydrophobicContact CD2-CD1 3.44Å; F25-I67 VanDerWaalsContact CD2-CD1 3.44Å; F25-I67 HydrophobicContact CD2-CG1 4.07Å; F25-I67 HydrophobicContact CD2-CG2 4.13Å; F25-I67 HydrophobicContact CE2-CD1 3.67Å; F25-I67 HydrophobicContact CG-CD1 4.18Å; F25-I67 HydrophobicContact CG-CG1 4.4Å; F25-I67 HydrophobicContact CG-CG2 3.73Å; F25-N68 HydrophobicContact CB-CB 3.9Å
26S95.5Very high95.4Very high91 Ų9176.3 Ų76.364%0.63640%0.399SS*.  trans-78.6142.8176.7-64.30000110.8Q28S26-Q28 PolarHBondContact O-N 2.9Å
27S94.8Very high95.3Very high18 Ų1876.3 Ų76.313%0.12640%0.399CS..  trans-63.1132.5-179.5-171.80000111.2V29 V30 H33S27-V29 VanDerWaalsContact C-N 3.34Å; S27-V29 PolarHBondContact OG-N 2.77Å; S27-V30 PolarHBondContact OG-N 3.34Å; S27-H33 WeakPolarHBondContact CB-O 3.29Å; S27-H33 PolarHBondContact N-O 3.48Å
28Q93.1Very high95.3Very high118 Ų11870.5 Ų70.555%0.55137%0.372SS*.SBendtrans-80.8-15.9174-67.4-179.2-4.900113.3F25 S26 E45F25-Q28 HydrophobicContact CE1-CG 4.07Å; F25-Q28 HydrophobicContact CZ-CG 4.24Å; S26-Q28 PolarHBondContact O-N 2.9Å; Q28-E45 PolarHBondContact OE1-OE1 2.76Å; Q28-E45 VanDerWaalsContact OE1-OE1 3.12Å
29V92.2Very high95.3Very high94 Ų9470 Ų7057%0.5736%0.357SS*.SBendtrans-100.3-34.2-171.8-179.10000112.1S27S27-V29 VanDerWaalsContact C-N 3.34Å; S27-V29 PolarHBondContact OG-N 2.77Å
30V92.4Very high95.2Very high53 Ų5372.5 Ų72.532%0.32137%0.371SS..SBendtrans-126.8120.1-177.1-169.80000109.6S27 R32 H33S27-V30 PolarHBondContact OG-N 3.34Å; V30-R32 PolarHBondContact O-N 2.63Å; V30-H33 HydrophobicContact CB-CB 4.06Å; V30-H33 HydrophobicContact CG1-CB 4.24Å; V30-H33 WeakPolarHBondContact CG1-CD2 3.44Å; V30-H33 PolarHBondContact O-N 2.98Å
31E90.6Very high95.1Very high149 Ų14978.6 Ų78.670%0.69639%0.393SS*.THydrogen-bonded Turntrans-57.1134.8-178.5-156.4-156.6135.200111.3H33E31-H33 PolarHBondContact O-CD2 3Å; E31-H33 PolarHBondContact O-N 3.3Å; E31-H33 VanDerWaalsContact O-N 3.14Å
32R91.6Very high95Very high232 Ų23277.3 Ų77.388%0.87539%0.385SS*.THydrogen-bonded Turntrans61.614.8177.8-53.2173.9-171.3-155.5-3.5115.3V30V30-R32 PolarHBondContact O-N 2.63Å
33H93.6Very high94.9Very high90 Ų9076.7 Ų76.742%0.41738%0.383SS..  trans-97.4146.8170.9-80.1-111000111.5S27 V30 E31 K35S27-H33 WeakPolarHBondContact CB-O 3.29Å; S27-H33 PolarHBondContact N-O 3.48Å; V30-H33 HydrophobicContact CB-CB 4.06Å; V30-H33 HydrophobicContact CG1-CB 4.24Å; V30-H33 WeakPolarHBondContact CG1-CD2 3.44Å; V30-H33 PolarHBondContact O-N 2.98Å; E31-H33 PolarHBondContact O-CD2 3Å; E31-H33 PolarHBondContact O-N 3.3Å; E31-H33 VanDerWaalsContact O-N 3.14Å; H33-K35 HydrophobicContact CB-CG 4.45Å; H33-K35 VanDerWaalsContact ND1-CE 3.27Å; H33-K35 WeakPolarHBondContact ND1-CE 3.36Å
34N94.2Very high94.8Very high56 Ų5678.7 Ų78.730%0.29939%0.389SS..  trans-127.2113.8165.8-173.8-27.4000107N24 F25N24-N34 PolarHBondContact OD1-ND2 2.92Å; F25-N34 PolarHBondContact O-OD1 3.35Å
35K95.4Very high94.8Very high69 Ų6980.3 Ų80.330%0.339%0.394SS..  trans-129.3147.5-175.2-63.7-178.4-175.6175.50109H33 E37 V40 N68H33-K35 HydrophobicContact CB-CG 4.45Å; H33-K35 VanDerWaalsContact ND1-CE 3.27Å; H33-K35 WeakPolarHBondContact ND1-CE 3.36Å; K35-E37 PolarHBondContact O-N 2.88Å; K35-V40 HydrophobicContact CB-CG2 3.69Å; K35-V40 HydrophobicContact CD-CG2 3.87Å; K35-V40 HydrophobicContact CG-CG2 4.4Å; K35-N68 PolarHBondContact O-ND2 3.34Å
36P97.3Very high94.8Very high38 Ų3879 Ų7925%0.24739%0.389CS..  trans-63.1111.2173.624.3-31.4000110.1V38 E39 V40 S69 L117 T119P36-V38 PolarHBondContact O-N 3.05Å; P36-E39 HydrophobicContact CB-CB 4.45Å; P36-E39 HydrophobicContact CB-CG 4.27Å; P36-E39 HydrophobicContact CG-CB 4.05Å; P36-E39 HydrophobicContact CG-CG 3.98Å; P36-E39 PolarHBondContact O-N 3.34Å; P36-V40 PolarHBondContact O-N 3.49Å; P36-S69 WeakPolarHBondContact CA-OG 3.39Å; P36-S69 WeakPolarHBondContact CB-OG 3.35Å; P36-L117 HydrophobicContact CB-CD1 4.23Å; P36-L117 HydrophobicContact CB-CD2 4.38Å; P36-L117 HydrophobicContact CG-CD2 4.17Å; P36-T119 HydrophobicContact CB-CG2 4.33Å
37E97.6Very high94.9Very high1 Ų176.7 Ų76.71%0.00537%0.369CS..Hα-helixtrans-61.6-31.6-174.4-70.2-61.4153.300112K35 E39 V40 R41 L46 L47 I67 N68 S69K35-E37 PolarHBondContact O-N 2.88Å; E37-E39 PolarHBondContact O-N 3.43Å; E37-V40 PolarHBondContact O-N 2.89Å; E37-R41 WeakPolarHBondContact O-CA 3.49Å; E37-R41 PolarHBondContact O-N 2.93Å; E37-L46 HydrophobicContact CB-CB 4.35Å; E37-L46 HydrophobicContact CG-CB 4.29Å; E37-L46 HydrophobicContact CG-CD1 3.78Å; E37-L47 WeakPolarHBondContact O-CD2 3.33Å; E37-I67 HydrophobicContact CG-CG2 4.18Å; E37-N68 PolarHBondContact N-OD1 3.44Å; E37-S69 PolarHBondContact N-OG 3.48Å
38V97.3Very high95Very high3 Ų380.7 Ų80.72%0.01839%0.388CS..Hα-helixtrans-64.2-24.7175.677.60000113.8P36 R41 E64 S66 S69 R71 L117P36-V38 PolarHBondContact O-N 3.05Å; V38-R41 WeakPolarHBondContact O-CG 3.47Å; V38-E64 HydrophobicContact CG2-CB 3.63Å; V38-E64 WeakPolarHBondContact CG2-O 3.41Å; V38-S66 PolarHBondContact N-OG 3.02Å; V38-S69 WeakPolarHBondContact CG1-OG 3.23Å; V38-S69 PolarHBondContact N-OG 2.88Å; V38-R71 HydrophobicContact CG1-CB 4.02Å; V38-R71 HydrophobicContact CG2-CB 4.03Å; V38-R71 PolarHBondContact O-NH1 3.01Å; V38-L117 HydrophobicContact CG1-CD1 3.7Å
39E97.3Very high95.2Very high61 Ų6182.7 Ų82.729%0.28540%0.398SS..Hα-helixtrans-88.8-42.3176.3-68.2-67.5149.500111.9P36 E37 R71 R105 L117P36-E39 HydrophobicContact CB-CB 4.45Å; P36-E39 HydrophobicContact CB-CG 4.27Å; P36-E39 HydrophobicContact CG-CB 4.05Å; P36-E39 HydrophobicContact CG-CG 3.98Å; P36-E39 PolarHBondContact O-N 3.34Å; E37-E39 PolarHBondContact O-N 3.43Å; E39-R71 WeakPolarHBondContact OE1-CD 3.43Å; E39-R71 IonicContact OE1-CZ 3.02Å; E39-R71 IonicContact OE1-NH1 2.81Å; E39-R71 PolarHBondContact OE1-NH1 2.84Å; E39-R71 IonicContact OE2-NH1 2.77Å; E39-R71 PolarHBondContact OE2-NH1 3.02Å; E39-R105 IonicContact OE1-CZ 2.77Å; E39-R105 IonicContact OE1-NE 3.83Å; E39-R105 PolarHBondContact OE1-NE 3.37Å; E39-R105 IonicContact OE1-NH2 3.93Å; E39-R105 PolarHBondContact OE1-NH2 3.11Å; E39-R105 IonicContact OE2-CZ 2.71Å; E39-R105 IonicContact OE2-NE 3.59Å; E39-R105 IonicContact OE2-NH2 3.51Å; E39-R105 PolarHBondContact OE2-NH2 3.14Å; E39-L117 HydrophobicContact CG-CD1 4.05Å; E39-L117 HydrophobicContact CG-CD2 3.89Å
40V95.8Very high95.5Very high68 Ų6880.6 Ų80.641%0.41239%0.386SS..Hα-helixtrans-79.8-38.6-174.6-1730000111.9K35 P36 E37 S42K35-V40 HydrophobicContact CB-CG2 3.69Å; K35-V40 HydrophobicContact CD-CG2 3.87Å; K35-V40 HydrophobicContact CG-CG2 4.4Å; P36-V40 PolarHBondContact O-N 3.49Å; E37-V40 PolarHBondContact O-N 2.89Å; V40-S42 PolarHBondContact O-N 2.77Å; V40-S42 VanDerWaalsContact O-N 3.11Å
41R94.9Very high95.8Very high132 Ų13280.9 Ų80.950%0.49839%0.388SS..  trans53.629.3175.7-52-177.878.5167.810.1114.6E37 V38 L47E37-R41 WeakPolarHBondContact O-CA 3.49Å; E37-R41 PolarHBondContact O-N 2.93Å; V38-R41 WeakPolarHBondContact O-CG 3.47Å; R41-L47 HydrophobicContact CB-CD1 3.96Å; R41-L47 HydrophobicContact CG-CD1 4.1Å; R41-L47 HydrophobicContact CG-CD2 4.41Å
42S93.5Very high96.2Very high58 Ų5877.5 Ų77.541%0.40638%0.377SS..  trans-76.6-28178.148.60000113.1V40V40-S42 PolarHBondContact O-N 2.77Å; V40-S42 VanDerWaalsContact O-N 3.11Å
43S94.8Very high96.5Very high8 Ų867.6 Ų67.66%0.05634%0.341CS..  trans-116.3107.3-177-79.50000110.2E45 L46S43-E45 VanDerWaalsContact C-N 3.32Å; S43-E45 WeakPolarHBondContact CB-OE1 3.33Å; S43-E45 PolarHBondContact O-N 3.33Å; S43-E45 PolarHBondContact OG-OE1 3.16Å; S43-E45 VanDerWaalsContact OG-OE1 3.12Å; S43-L46 PolarHBondContact O-N 2.86Å
44K95.3Very high96.7Very high179 Ų17966.6 Ų66.678%0.77835%0.345SS*.G310 helixtrans-70-31.6-174.4-71.1-174179.21790112.6L46 L47K44-L46 PolarHBondContact O-N 3.07Å; K44-L47 PolarHBondContact O-N 3.39Å; K44-L47 VanDerWaalsContact O-N 3.17Å
45E96.2Very high96.7Very high126 Ų12666.5 Ų66.559%0.58934%0.34SS*.G310 helixtrans-64.5-20.3177.170-74.2176.800113.3Q28 S43Q28-E45 PolarHBondContact OE1-OE1 2.76Å; Q28-E45 VanDerWaalsContact OE1-OE1 3.12Å; S43-E45 VanDerWaalsContact C-N 3.32Å; S43-E45 WeakPolarHBondContact CB-OE1 3.33Å; S43-E45 PolarHBondContact O-N 3.33Å; S43-E45 PolarHBondContact OG-OE1 3.16Å; S43-E45 VanDerWaalsContact OG-OE1 3.12Å
46L97.1Very high96.7Very high16 Ų1666.3 Ų66.38%0.08434%0.342CS..G310 helixtrans-92.2-7.9177.8-54.9-179.4000112.8F25 E37 S43 K44 S66 I67F25-L46 HydrophobicContact CD1-CD1 3.95Å; F25-L46 HydrophobicContact CE1-CD1 3.3Å; F25-L46 HydrophobicContact CE1-CD2 3.94Å; F25-L46 HydrophobicContact CE1-CG 4.28Å; F25-L46 HydrophobicContact CE2-CD2 4.2Å; F25-L46 HydrophobicContact CZ-CD1 3.88Å; F25-L46 HydrophobicContact CZ-CD2 3.63Å; F25-L46 HydrophobicContact CZ-CG 4.43Å; E37-L46 HydrophobicContact CB-CB 4.35Å; E37-L46 HydrophobicContact CG-CB 4.29Å; E37-L46 HydrophobicContact CG-CD1 3.78Å; S43-L46 PolarHBondContact O-N 2.86Å; K44-L46 PolarHBondContact O-N 3.07Å; L46-S66 WeakPolarHBondContact O-CA 3.26Å; L46-S66 WeakPolarHBondContact O-CB 3.22Å; L46-I67 HydrophobicContact CB-CG2 4.09Å; L46-I67 HydrophobicContact CD1-CG2 4.41Å; L46-I67 HydrophobicContact CD2-CD1 4.4Å; L46-I67 HydrophobicContact CD2-CG2 4.13Å; L46-I67 HydrophobicContact CG-CG2 4.43Å; L46-I67 PolarHBondContact O-N 2.97Å; L46-I67 VanDerWaalsContact O-N 3.16Å
47L97.7Very high96.4Very high41 Ų4172.2 Ų72.222%0.21537%0.372CS..BIsolated β-bridgetrans-95.1132.6179.9-58.5-179.1000110.4E37 R41 K44E37-L47 WeakPolarHBondContact O-CD2 3.33Å; R41-L47 HydrophobicContact CB-CD1 3.96Å; R41-L47 HydrophobicContact CG-CD1 4.1Å; R41-L47 HydrophobicContact CG-CD2 4.41Å; K44-L47 PolarHBondContact O-N 3.39Å; K44-L47 VanDerWaalsContact O-N 3.17Å
48L97.5Very high96.1Very high102 Ų10278.3 Ų78.353%0.53440%0.398SS..PPolyproline II helixtrans-86.9163.1170.7-57.4-179000110.4P50 G65L48-P50 VanDerWaalsContact O-CD 3.3Å; L48-P50 WeakPolarHBondContact O-CD 3.37Å; L48-G65 WeakPolarHBondContact CB-O 3.42Å; L48-G65 PolarHBondContact N-O 2.74Å
49Q97.8Very high96Very high161 Ų16178.8 Ų78.875%0.75240%0.4SS*.PPolyproline II helixtrans-62.3123.9175.7-175.360.928.200110.1V51Q49-V51 PolarHBondContact O-N 3.08Å
50P98.1Very high96Very high49 Ų4979.2 Ų79.232%0.31840%0.401SS..PPolyproline II helixtrans-61.2134.6172.4-24.735.8000111.1L48 L62 E64L48-P50 VanDerWaalsContact O-CD 3.3Å; L48-P50 WeakPolarHBondContact O-CD 3.37Å; P50-L62 HydrophobicContact CB-CD1 4.05Å; P50-E64 HydrophobicContact CB-CG 4.06Å; P50-E64 HydrophobicContact CG-CG 4.34Å
51V98.3Very high96.2Very high60 Ų6076 Ų7636%0.36438%0.381SS..EExtended strand (participates in β ladder)trans-120.1135.1178.3-65.70000110.3T15 Q49 I63T15-V51 HydrophobicContact CG2-CG2 3.61Å; Q49-V51 PolarHBondContact O-N 3.08Å; V51-I63 HydrophobicContact CG2-CB 3.86Å; V51-I63 PolarHBondContact N-O 3.28Å; V51-I63 PolarHBondContact O-N 2.95Å
52V98.5Very high96.3Very high77 Ų7770.6 Ų70.647%0.46736%0.363SS..EExtended strand (participates in β ladder)trans-115.5125.9177.4-178.90000108.8K60 V61 L62V52-K60 HydrophobicContact CG1-CB 4.24Å; V52-K60 HydrophobicContact CG1-CD 4.33Å; V52-V61 CarbonylContact C-O 3.46Å; V52-V61 WeakPolarHBondContact CA-O 3.49Å; V52-L62 HydrophobicContact CG2-CB 4.36Å; V52-L62 HydrophobicContact CG2-CD1 3.68Å
53I98.5Very high96.6Very high25 Ų2568 Ų6813%0.12834%0.344CS..EExtended strand (participates in β ladder)trans-112118.7175.4-55165000106Y8 A11 V12 T15 K60 V61 I63Y8-I53 HydrophobicContact CD2-CG2 3.81Å; Y8-I53 HydrophobicContact CE2-CB 4.44Å; Y8-I53 HydrophobicContact CE2-CG2 3.87Å; Y8-I53 WeakPolarHBondContact CE2-O 3.46Å; A11-I53 HydrophobicContact CB-CG2 4.08Å; V12-I53 HydrophobicContact CB-CD1 4.35Å; V12-I53 HydrophobicContact CG2-CB 4.15Å; V12-I53 HydrophobicContact CG2-CD1 3.91Å; V12-I53 HydrophobicContact CG2-CG2 3.96Å; T15-I53 HydrophobicContact CG2-CD1 4.11Å; T15-I53 WeakPolarHBondContact OG1-CD1 3.48Å; I53-K60 CarbonylContact O-C 3.52Å; I53-K60 VanDerWaalsContact O-CA 3.25Å; I53-K60 WeakPolarHBondContact O-CA 3.39Å; I53-V61 PolarHBondContact N-O 3.12Å; I53-V61 PolarHBondContact O-N 3.02Å; I53-I63 HydrophobicContact CD1-CD1 4.17Å
54S97.3Very high96.8Very high69 Ų6968.3 Ų68.348%0.48335%0.345SS..EExtended strand (participates in β ladder)trans-117.6134-177.6-51.90000109.9K60S54-K60 WeakPolarHBondContact OG-CB 3.49Å
55R95.5Very high96.9Very high54 Ų5460.1 Ų60.120%0.20431%0.311CS..SBendtrans-84.6-36.4169.6-172.5-173.8176.7-168.30.8110.9M1 T4 Y8 E59M1-R55 PolarHBondContact O-NH2 3.19Å; T4-R55 PolarHBondContact OG1-NE 3.41Å; T4-R55 VanDerWaalsContact OG1-NE 3.16Å; Y8-R55 HydrophobicContact CD1-CB 3.99Å; Y8-R55 HydrophobicContact CD1-CG 4.37Å; Y8-R55 HydrophobicContact CD2-CB 3.78Å; Y8-R55 HydrophobicContact CE1-CB 4.19Å; Y8-R55 HydrophobicContact CE2-CB 4.01Å; Y8-R55 HydrophobicContact CG-CB 3.75Å; Y8-R55 HydrophobicContact CG-CG 4.17Å; R55-E59 HydrophobicContact CB-CB 4.03Å; R55-E59 VanDerWaalsContact CD-OE1 3.31Å; R55-E59 WeakPolarHBondContact CD-OE1 3.45Å; R55-E59 IonicContact CZ-OE1 3.27Å; R55-E59 PolarHBondContact N-O 3.45Å; R55-E59 IonicContact NE-OE1 3.18Å; R55-E59 IonicContact NH1-OE1 3.33Å; R55-E59 PolarHBondContact NH1-OE1 3.49Å; R55-E59 IonicContact NH1-OE2 2.87Å
56N94.1Very high97Very high64 Ų6454.2 Ų54.234%0.34228%0.284SS..SBendtrans-159.9-173.4174.85758.5000108.7K58 E59N56-K58 PolarHBondContact O-N 3.34Å; N56-K58 VanDerWaalsContact O-N 3.14Å; N56-K58 WeakPolarHBondContact OD1-CA 3.45Å; N56-K58 PolarHBondContact OD1-N 3.31Å; N56-E59 PolarHBondContact N-O 2.85Å; N56-E59 PolarHBondContact ND2-OE2 3.18Å; N56-E59 PolarHBondContact OD1-N 3.03Å
57D92.3Very high97.1Very high162 Ų16256 Ų5687%0.86629%0.293SS*.SBendtrans-62.8-21.6-176.1-54-25.4000114.1
58K91.4Very high97.1Very high129 Ų12954.1 Ų54.156%0.56128%0.283SS*.SBendtrans-102.1-39.5-177.3-62.5-174.2174.5-172.50112.9N56 A75N56-K58 PolarHBondContact O-N 3.34Å; N56-K58 VanDerWaalsContact O-N 3.14Å; N56-K58 WeakPolarHBondContact OD1-CA 3.45Å; N56-K58 PolarHBondContact OD1-N 3.31Å; K58-A75 WeakPolarHBondContact O-CB 3.45Å
59E94.7Very high97.1Very high14 Ų1449.2 Ų49.27%0.06526%0.257CS..  trans-97109.8-176.9-70.617071.500110.8R55 N56 K77R55-E59 HydrophobicContact CB-CB 4.03Å; R55-E59 VanDerWaalsContact CD-OE1 3.31Å; R55-E59 WeakPolarHBondContact CD-OE1 3.45Å; R55-E59 IonicContact CZ-OE1 3.27Å; R55-E59 PolarHBondContact N-O 3.45Å; R55-E59 IonicContact NE-OE1 3.18Å; R55-E59 IonicContact NH1-OE1 3.33Å; R55-E59 PolarHBondContact NH1-OE1 3.49Å; R55-E59 IonicContact NH1-OE2 2.87Å; N56-E59 PolarHBondContact N-O 2.85Å; N56-E59 PolarHBondContact ND2-OE2 3.18Å; N56-E59 PolarHBondContact OD1-N 3.03Å; E59-K77 HydrophobicContact CG-CB 3.74Å; E59-K77 HydrophobicContact CG-CG 4.41Å
60K97.4Very high97.1Very high69 Ų6941.6 Ų41.630%0.322%0.221SC..EExtended strand (participates in β ladder)trans-150.5150.8179.261.6-176.3-180-171.40112.6Y8 V52 I53 S54 A75 Y112Y8-K60 WeakPolarHBondContact OH-CA 3.29Å; V52-K60 HydrophobicContact CG1-CB 4.24Å; V52-K60 HydrophobicContact CG1-CD 4.33Å; I53-K60 CarbonylContact O-C 3.52Å; I53-K60 VanDerWaalsContact O-CA 3.25Å; I53-K60 WeakPolarHBondContact O-CA 3.39Å; S54-K60 WeakPolarHBondContact OG-CB 3.49Å; K60-A75 HydrophobicContact CG-CB 3.85Å; K60-A75 PolarHBondContact N-O 2.85Å; K60-A75 PolarHBondContact O-N 2.71Å; K60-Y112 HydrophobicContact CD-CE1 4.48Å; K60-Y112 HydrophobicContact CG-CE1 4.04Å
61V98.5Very high97.2Very high0 Ų040 Ų400%021%0.209CC..EExtended strand (participates in β ladder)trans-115.2129.7169.4-1740000109.5Y8 V12 V52 I53 I63 V72 S73 I74 M139Y8-V61 WeakPolarHBondContact OH-CG2 3.32Å; Y8-V61 PolarHBondContact OH-N 3.35Å; V12-V61 HydrophobicContact CG1-CG2 4.4Å; V12-V61 HydrophobicContact CG2-CB 4.32Å; V12-V61 HydrophobicContact CG2-CG2 4.02Å; V52-V61 CarbonylContact C-O 3.46Å; V52-V61 WeakPolarHBondContact CA-O 3.49Å; I53-V61 PolarHBondContact N-O 3.12Å; I53-V61 PolarHBondContact O-N 3.02Å; V61-I63 HydrophobicContact CG1-CD1 4.41Å; V61-I63 HydrophobicContact CG1-CG1 3.85Å; V61-V72 HydrophobicContact CG1-CG1 3.67Å; V61-S73 CarbonylContact C-O 3.12Å; V61-S73 VanDerWaalsContact CA-O 3.28Å; V61-S73 WeakPolarHBondContact CA-O 3.38Å; V61-I74 HydrophobicContact CG1-CG1 4.25Å; V61-I74 HydrophobicContact CG2-CG1 4.11Å; V61-I74 HydrophobicContact CG2-CG2 4.48Å; V61-M139 HydrophobicContact CG2-CE 3.36Å; V61-M139 HydrophobicContact CG2-SD 3.93Å
62L98.7Very high97.2Very high20 Ų2037.1 Ų37.111%0.10519%0.192CC..EExtended strand (participates in β ladder)trans-98.5125.8166168.166.2000109P50 V52 E64 V72 S73 Y112P50-L62 HydrophobicContact CB-CD1 4.05Å; V52-L62 HydrophobicContact CG2-CB 4.36Å; V52-L62 HydrophobicContact CG2-CD1 3.68Å; L62-E64 HydrophobicContact CD1-CG 3.94Å; L62-E64 HydrophobicContact CD2-CG 4.25Å; L62-E64 HydrophobicContact CG-CG 3.95Å; L62-V72 CarbonylContact O-C 3.45Å; L62-V72 WeakPolarHBondContact O-CA 3.49Å; L62-S73 PolarHBondContact N-O 3.44Å; L62-S73 PolarHBondContact O-N 2.77Å; L62-Y112 HydrophobicContact CB-CE1 3.68Å; L62-Y112 HydrophobicContact CB-CE2 4.16Å; L62-Y112 VanDerWaalsContact CB-CZ 3.47Å; L62-Y112 WeakPolarHBondContact CB-OH 3.46Å; L62-Y112 HydrophobicContact CD2-CE2 3.88Å
63I98.8Very high97.2Very high3 Ų333.4 Ų33.42%0.01517%0.169CC..EExtended strand (participates in β ladder)trans-116.6119.9174.7-54.9173.5000107.8T15 L16 A19 V51 I53 V61 V70 V72T15-I63 HydrophobicContact CG2-CD1 3.65Å; L16-I63 HydrophobicContact CD2-CD1 3.79Å; L16-I63 HydrophobicContact CD2-CG1 4.27Å; L16-I63 HydrophobicContact CD2-CG2 4.44Å; L16-I63 HydrophobicContact CG-CD1 3.95Å; A19-I63 HydrophobicContact CB-CG2 4.03Å; V51-I63 HydrophobicContact CG2-CB 3.86Å; V51-I63 PolarHBondContact N-O 3.28Å; V51-I63 PolarHBondContact O-N 2.95Å; I53-I63 HydrophobicContact CD1-CD1 4.17Å; V61-I63 HydrophobicContact CG1-CD1 4.41Å; V61-I63 HydrophobicContact CG1-CG1 3.85Å; I63-V70 HydrophobicContact CG2-CG1 3.78Å; I63-V72 HydrophobicContact CG1-CG1 4.42Å
64E98.6Very high97.2Very high15 Ų1532.5 Ų32.57%0.0716%0.164CC..EExtended strand (participates in β ladder)trans-115.9112.4177.4-63.6168.795.600107.8V38 P50 L62 V70 R71V38-E64 HydrophobicContact CG2-CB 3.63Å; V38-E64 WeakPolarHBondContact CG2-O 3.41Å; P50-E64 HydrophobicContact CB-CG 4.06Å; P50-E64 HydrophobicContact CG-CG 4.34Å; L62-E64 HydrophobicContact CD1-CG 3.94Å; L62-E64 HydrophobicContact CD2-CG 4.25Å; L62-E64 HydrophobicContact CG-CG 3.95Å; E64-V70 CarbonylContact O-C 3.59Å; E64-V70 WeakPolarHBondContact O-CA 3.32Å; E64-R71 HydrophobicContact CB-CB 4.32Å; E64-R71 PolarHBondContact N-O 3.47Å; E64-R71 PolarHBondContact O-N 3.16Å; E64-R71 IonicContact OE1-CZ 3.34Å; E64-R71 IonicContact OE1-NE 2.75Å; E64-R71 IonicContact OE1-NH2 3.71Å; E64-R71 PolarHBondContact OE1-NH2 2.82Å; E64-R71 IonicContact OE2-CZ 3.91Å; E64-R71 VanDerWaalsContact OE2-CZ 3.28Å; E64-R71 IonicContact OE2-NE 2.97Å; E64-R71 PolarHBondContact OE2-NE 2.88Å; E64-R71 IonicContact OE2-NH2 3.74Å; E64-R71 PolarHBondContact OE2-NH2 3.46Å
65G98.3Very high97.2Very high6 Ų629.6 Ų29.66%0.06215%0.145CC..EExtended strand (participates in β ladder)trans-98154.7179.300000112.6L48L48-G65 WeakPolarHBondContact CB-O 3.42Å; L48-G65 PolarHBondContact N-O 2.74Å
66S98.4Very high97.2Very high3 Ų327.4 Ų27.42%0.02114%0.138CC..BIsolated β-bridgetrans-146.9177.5166.869.60000109.2L22 V38 L46 N68 S69L22-S66 WeakPolarHBondContact CD2-O 3.36Å; V38-S66 PolarHBondContact N-OG 3.02Å; L46-S66 WeakPolarHBondContact O-CA 3.26Å; L46-S66 WeakPolarHBondContact O-CB 3.22Å; S66-N68 VanDerWaalsContact C-N 3.31Å; S66-N68 PolarHBondContact O-N 3.17Å; S66-S69 PolarHBondContact N-O 3.33Å; S66-S69 PolarHBondContact OG-N 2.91Å; S66-S69 VanDerWaalsContact OG-N 3.16Å; S66-S69 PolarHBondContact OG-O 3.35Å; S66-S69 PolarHBondContact OG-OG 2.86Å
67I98.1Very high97.1Very high53 Ų5328.9 Ų28.927%0.27214%0.141SC..SBendtrans-57.8-37.7-179.9-169.3156.8000114.2L22 E23 F25 E37 L46L22-I67 WeakPolarHBondContact CA-O 3.45Å; E23-I67 PolarHBondContact N-O 3.38Å; F25-I67 HydrophobicContact CB-CG1 4.45Å; F25-I67 HydrophobicContact CB-CG2 3.87Å; F25-I67 HydrophobicContact CD1-CG2 3.99Å; F25-I67 HydrophobicContact CD2-CD1 3.44Å; F25-I67 VanDerWaalsContact CD2-CD1 3.44Å; F25-I67 HydrophobicContact CD2-CG1 4.07Å; F25-I67 HydrophobicContact CD2-CG2 4.13Å; F25-I67 HydrophobicContact CE2-CD1 3.67Å; F25-I67 HydrophobicContact CG-CD1 4.18Å; F25-I67 HydrophobicContact CG-CG1 4.4Å; F25-I67 HydrophobicContact CG-CG2 3.73Å; E37-I67 HydrophobicContact CG-CG2 4.18Å; L46-I67 HydrophobicContact CB-CG2 4.09Å; L46-I67 HydrophobicContact CD1-CG2 4.41Å; L46-I67 HydrophobicContact CD2-CD1 4.4Å; L46-I67 HydrophobicContact CD2-CG2 4.13Å; L46-I67 HydrophobicContact CG-CG2 4.43Å; L46-I67 PolarHBondContact O-N 2.97Å; L46-I67 VanDerWaalsContact O-N 3.16Å
68N97.8Very high97.1Very high1 Ų123.1 Ų23.11%0.00511%0.109CC..SBendtrans-120.8-2-172.470.7-1.9000114.4E23 F25 K35 E37 S66 T119 N120E23-N68 WeakPolarHBondContact O-CA 3.43Å; E23-N68 WeakPolarHBondContact O-CB 3.39Å; F25-N68 HydrophobicContact CB-CB 3.9Å; K35-N68 PolarHBondContact O-ND2 3.34Å; E37-N68 PolarHBondContact N-OD1 3.44Å; S66-N68 VanDerWaalsContact C-N 3.31Å; S66-N68 PolarHBondContact O-N 3.17Å; N68-T119 CarbonylContact O-C 3.51Å; N68-T119 WeakPolarHBondContact O-CA 3.38Å; N68-N120 PolarHBondContact O-N 2.91Å
69S98.4Very high97.2Very high0 Ų019.9 Ų19.90%011%0.106CC..EExtended strand (participates in β ladder)trans-156.8148.9-178.552.40000113.8P36 E37 V38 S66 I118P36-S69 WeakPolarHBondContact CA-OG 3.39Å; P36-S69 WeakPolarHBondContact CB-OG 3.35Å; E37-S69 PolarHBondContact N-OG 3.48Å; V38-S69 WeakPolarHBondContact CG1-OG 3.23Å; V38-S69 PolarHBondContact N-OG 2.88Å; S66-S69 PolarHBondContact N-O 3.33Å; S66-S69 PolarHBondContact OG-N 2.91Å; S66-S69 VanDerWaalsContact OG-N 3.16Å; S66-S69 PolarHBondContact OG-O 3.35Å; S66-S69 PolarHBondContact OG-OG 2.86Å; S69-I118 CarbonylContact C-O 3.52Å; S69-I118 WeakPolarHBondContact CA-O 3.35Å; S69-I118 WeakPolarHBondContact CB-O 3.39Å
70V98.6Very high97.2Very high0 Ų022.1 Ų22.10%012%0.119CC..EExtended strand (participates in β ladder)trans-121.8131.7172.2-1760000109.2A19 L20 L22 I63 E64 V72 I118A19-V70 HydrophobicContact CB-CG1 4.18Å; A19-V70 HydrophobicContact CB-CG2 4.12Å; A19-V70 VanDerWaalsContact O-CG2 3.26Å; A19-V70 WeakPolarHBondContact O-CG2 3.28Å; L20-V70 HydrophobicContact CD2-CB 4.16Å; L20-V70 HydrophobicContact CD2-CG2 3.87Å; L22-V70 HydrophobicContact CD1-CG2 4.33Å; L22-V70 HydrophobicContact CD2-CG2 3.8Å; L22-V70 HydrophobicContact CG-CG2 4.34Å; I63-V70 HydrophobicContact CG2-CG1 3.78Å; E64-V70 CarbonylContact O-C 3.59Å; E64-V70 WeakPolarHBondContact O-CA 3.32Å; V70-V72 HydrophobicContact CG1-CG2 3.97Å; V70-I118 PolarHBondContact N-O 2.71Å; V70-I118 PolarHBondContact O-N 2.84Å
71R98.6Very high97.1Very high15 Ų1524.9 Ų24.96%0.05713%0.132CC..EExtended strand (participates in β ladder)trans-102.7130.6167.5179.8164.166.2-137.7-4.7110V38 E39 E64 V109 F116V38-R71 HydrophobicContact CG1-CB 4.02Å; V38-R71 HydrophobicContact CG2-CB 4.03Å; V38-R71 PolarHBondContact O-NH1 3.01Å; E39-R71 WeakPolarHBondContact OE1-CD 3.43Å; E39-R71 IonicContact OE1-CZ 3.02Å; E39-R71 IonicContact OE1-NH1 2.81Å; E39-R71 PolarHBondContact OE1-NH1 2.84Å; E39-R71 IonicContact OE2-NH1 2.77Å; E39-R71 PolarHBondContact OE2-NH1 3.02Å; E64-R71 HydrophobicContact CB-CB 4.32Å; E64-R71 PolarHBondContact N-O 3.47Å; E64-R71 PolarHBondContact O-N 3.16Å; E64-R71 IonicContact OE1-CZ 3.34Å; E64-R71 IonicContact OE1-NE 2.75Å; E64-R71 IonicContact OE1-NH2 3.71Å; E64-R71 PolarHBondContact OE1-NH2 2.82Å; E64-R71 IonicContact OE2-CZ 3.91Å; E64-R71 VanDerWaalsContact OE2-CZ 3.28Å; E64-R71 IonicContact OE2-NE 2.97Å; E64-R71 PolarHBondContact OE2-NE 2.88Å; E64-R71 IonicContact OE2-NH2 3.74Å; E64-R71 PolarHBondContact OE2-NH2 3.46Å; R71-V109 HydrophobicContact CG-CG2 4.43Å; R71-F116 WeakPolarHBondContact CA-O 3.25Å
72V98.6Very high96.9Very high0 Ų027.7 Ų27.70%015%0.147CC..EExtended strand (participates in β ladder)trans-122.6116.2179.8-174.10000108.1L16 V61 L62 I63 V70 I74 S115 F116 V135L16-V72 HydrophobicContact CD2-CG1 4.22Å; L16-V72 HydrophobicContact CD2-CG2 3.53Å; V61-V72 HydrophobicContact CG1-CG1 3.67Å; L62-V72 CarbonylContact O-C 3.45Å; L62-V72 WeakPolarHBondContact O-CA 3.49Å; I63-V72 HydrophobicContact CG1-CG1 4.42Å; V70-V72 HydrophobicContact CG1-CG2 3.97Å; V72-I74 HydrophobicContact CG1-CG1 4.44Å; V72-S115 CarbonylContact O-C 3.59Å; V72-S115 WeakPolarHBondContact O-CA 3.34Å; V72-F116 HydrophobicContact CB-CB 4.31Å; V72-F116 PolarHBondContact N-O 3.49Å; V72-F116 PolarHBondContact O-N 3.48Å; V72-V135 HydrophobicContact CG1-CG1 4.35Å
73S98.6Very high96.8Very high0 Ų027.6 Ų27.60%015%0.146CC..EExtended strand (participates in β ladder)trans-117.3130-179-56.10000110.4V61 L62 V109 Y112 I114 S115V61-S73 CarbonylContact C-O 3.12Å; V61-S73 VanDerWaalsContact CA-O 3.28Å; V61-S73 WeakPolarHBondContact CA-O 3.38Å; L62-S73 PolarHBondContact N-O 3.44Å; L62-S73 PolarHBondContact O-N 2.77Å; S73-V109 WeakPolarHBondContact OG-CG2 3.37Å; S73-Y112 VanDerWaalsContact C-CD1 3.48Å; S73-Y112 WeakPolarHBondContact O-CD1 3.46Å; S73-I114 WeakPolarHBondContact CA-O 3.33Å; S73-S115 WeakPolarHBondContact CB-OG 3.31Å; S73-S115 PolarHBondContact OG-OG 3.02Å
74I98.4Very high96.7Very high5 Ų532.2 Ų32.23%0.02617%0.166CC..EExtended strand (participates in β ladder)trans-118.7128.8-171.1-58163.2000109V61 V72 V76 D113 I114 F116 F138 M139V61-I74 HydrophobicContact CG1-CG1 4.25Å; V61-I74 HydrophobicContact CG2-CG1 4.11Å; V61-I74 HydrophobicContact CG2-CG2 4.48Å; V72-I74 HydrophobicContact CG1-CG1 4.44Å; I74-V76 HydrophobicContact CG2-CG2 4.12Å; I74-D113 PolarHBondContact O-N 2.75Å; I74-I114 HydrophobicContact CB-CG2 4.11Å; I74-I114 HydrophobicContact CD1-CG2 4.42Å; I74-I114 PolarHBondContact N-O 2.81Å; I74-I114 PolarHBondContact O-N 3.07Å; I74-F116 HydrophobicContact CD1-CD2 4.16Å; I74-F116 HydrophobicContact CD1-CE2 3.71Å; I74-F138 HydrophobicContact CD1-CD1 4.14Å; I74-F138 HydrophobicContact CD1-CE1 4.27Å; I74-M139 HydrophobicContact CD1-CG 3.76Å; I74-M139 HydrophobicContact CD1-SD 4.24Å; I74-M139 HydrophobicContact CG1-CG 4.5Å
75A97.7Very high96.6Very high9 Ų935.4 Ų35.47%0.07418%0.182CC..EExtended strand (participates in β ladder)trans-100120.8166.600000108.2K58 K60 Y112 D113K58-A75 WeakPolarHBondContact O-CB 3.45Å; K60-A75 HydrophobicContact CG-CB 3.85Å; K60-A75 PolarHBondContact N-O 2.85Å; K60-A75 PolarHBondContact O-N 2.71Å; A75-Y112 HydrophobicContact CB-CD1 4.07Å; A75-Y112 HydrophobicContact CB-CE1 4.45Å; A75-D113 WeakPolarHBondContact CA-OD2 3.18Å
76V95.4Very high96.6Very high8 Ų836.1 Ų36.15%0.04819%0.185CC..PPolyproline II helixtrans-96.3148.5-171.2-177.60000109.1I74 Q78 D113 I142 I146I74-V76 HydrophobicContact CG2-CG2 4.12Å; V76-Q78 PolarHBondContact O-N 2.86Å; V76-D113 HydrophobicContact CG2-CB 4.15Å; V76-D113 PolarHBondContact N-OD2 2.8Å; V76-I142 HydrophobicContact CB-CD1 4.47Å; V76-I142 HydrophobicContact CG1-CD1 4.11Å; V76-I142 HydrophobicContact CG1-CG1 4.13Å; V76-I142 HydrophobicContact CG1-CG2 4.24Å; V76-I142 HydrophobicContact CG2-CD1 3.52Å; V76-I142 HydrophobicContact CG2-CG1 4.41Å; V76-I146 HydrophobicContact CG1-CD1 3.77Å
77K91.9Very high96.5Very high95 Ų9536 Ų3641%0.41318%0.184SC..PPolyproline II helixtrans-63.7128.5176.8-174.6-174.9165.4-1630110.6E59E59-K77 HydrophobicContact CG-CB 3.74Å; E59-K77 HydrophobicContact CG-CG 4.41Å
78Q92.8Very high96.4Very high40 Ų4039.3 Ų39.319%0.18720%0.198CC..  trans-132.3104.2174.8-62166.333.700108.2V76 C87 D113V76-Q78 PolarHBondContact O-N 2.86Å; Q78-C87 HydrophobicContact CG-CB 4.15Å; Q78-D113 PolarHBondContact NE2-OD1 2.79Å; Q78-D113 PolarHBondContact NE2-OD2 2.77Å; Q78-D113 VanDerWaalsContact NE2-OD2 3.16Å
79A92.3Very high96.4Very high61 Ų6145.5 Ų45.550%0.50423%0.225SC..  trans-81.4-30.7-174.400000113E83A79-E83 WeakPolarHBondContact CB-OE2 3.4Å; A79-E83 PolarHBondContact N-OE2 2.88Å
80D94.9Very high96.3Very high62 Ų6247.8 Ų47.833%0.33224%0.235SC..SBendtrans-149.2177.4-177.256.229.5000112.6I82 E83 K84 K150D80-I82 VanDerWaalsContact C-N 3.3Å; D80-I82 PolarHBondContact O-N 3.27Å; D80-I82 WeakPolarHBondContact OD1-CG2 3.42Å; D80-I82 PolarHBondContact OD1-N 3.18Å; D80-E83 PolarHBondContact O-N 2.84Å; D80-E83 WeakPolarHBondContact OD1-CB 3.48Å; D80-E83 WeakPolarHBondContact OD1-CG 3.45Å; D80-E83 PolarHBondContact OD1-N 2.97Å; D80-K84 WeakPolarHBondContact O-CB 3.33Å; D80-K84 PolarHBondContact O-N 3.28Å; D80-K150 IonicContact OD1-NZ 3.65Å; D80-K150 WeakPolarHBondContact OD2-CE 3.35Å; D80-K150 IonicContact OD2-NZ 2.63Å; D80-K150 PolarHBondContact OD2-NZ 2.95Å
81E95.4Very high96.2Very high126 Ų12647.9 Ų47.959%0.58924%0.235SC*.Hα-helixtrans-63.1-32.6-178-75.6-64.3142.200112.9K84 I85E81-K84 PolarHBondContact O-N 3.04Å; E81-K84 IonicContact OE1-NZ 3.71Å; E81-I85 VanDerWaalsContact O-CG1 3.31Å; E81-I85 WeakPolarHBondContact O-CG1 3.32Å; E81-I85 PolarHBondContact O-N 2.87Å; E81-I85 VanDerWaalsContact O-N 3.09Å
82I95.1Very high96Very high59 Ų5954 Ų5430%0.30326%0.258SS..Hα-helixtrans-69.6-44.7177.4-173.465.6000110.6D80 K84 I85 L86 K150 V153D80-I82 VanDerWaalsContact C-N 3.3Å; D80-I82 PolarHBondContact O-N 3.27Å; D80-I82 WeakPolarHBondContact OD1-CG2 3.42Å; D80-I82 PolarHBondContact OD1-N 3.18Å; I82-K84 VanDerWaalsContact C-N 3.32Å; I82-K84 PolarHBondContact O-N 2.89Å; I82-I85 PolarHBondContact O-N 3.38Å; I82-L86 HydrophobicContact CD1-CG 4.45Å; I82-L86 HydrophobicContact CG1-CD1 4Å; I82-L86 HydrophobicContact CG1-CG 4.36Å; I82-L86 WeakPolarHBondContact O-CB 3.43Å; I82-L86 VanDerWaalsContact O-CG 3.23Å; I82-L86 WeakPolarHBondContact O-CG 3.38Å; I82-L86 PolarHBondContact O-N 3.2Å; I82-K150 HydrophobicContact CG2-CD 4.19Å; I82-K150 HydrophobicContact CG2-CG 4.07Å; I82-V153 HydrophobicContact CD1-CG1 4.49Å
83E96.4Very high95.8Very high19 Ų1958.4 Ų58.49%0.08928%0.278CS..Hα-helixtrans-62.9-38.6175-75.5177.5-158.600112.1A79 D80 I85 L86 C87 I146 K150A79-E83 WeakPolarHBondContact CB-OE2 3.4Å; A79-E83 PolarHBondContact N-OE2 2.88Å; D80-E83 PolarHBondContact O-N 2.84Å; D80-E83 WeakPolarHBondContact OD1-CB 3.48Å; D80-E83 WeakPolarHBondContact OD1-CG 3.45Å; D80-E83 PolarHBondContact OD1-N 2.97Å; E83-I85 PolarHBondContact O-N 3.26Å; E83-L86 PolarHBondContact O-N 2.93Å; E83-C87 WeakPolarHBondContact O-CB 3.2Å; E83-C87 PolarHBondContact O-N 3.37Å; E83-I146 HydrophobicContact CB-CG2 4.12Å; E83-I146 HydrophobicContact CG-CG2 3.88Å; E83-K150 HydrophobicContact CG-CD 3.94Å; E83-K150 IonicContact OE1-NZ 2.77Å; E83-K150 PolarHBondContact OE1-NZ 3.4Å
84K96.3Very high95.6Very high99 Ų9959.5 Ų59.543%0.4328%0.283SS..Hα-helixtrans-58.9-46.7175178.7174.6179.9-170.80112.1D80 E81 I82 H88D80-K84 WeakPolarHBondContact O-CB 3.33Å; D80-K84 PolarHBondContact O-N 3.28Å; E81-K84 PolarHBondContact O-N 3.04Å; E81-K84 IonicContact OE1-NZ 3.71Å; I82-K84 VanDerWaalsContact C-N 3.32Å; I82-K84 PolarHBondContact O-N 2.89Å; K84-H88 VanDerWaalsContact O-CB 3.29Å; K84-H88 WeakPolarHBondContact O-CB 3.36Å; K84-H88 PolarHBondContact O-N 2.83Å
85I97.1Very high95.4Very high82 Ų8260.6 Ų60.642%0.42129%0.289SS..Hα-helixtrans-67.8-42.1178.2-65.6166.7000111.1E81 I82 E83 K89E81-I85 VanDerWaalsContact O-CG1 3.31Å; E81-I85 WeakPolarHBondContact O-CG1 3.32Å; E81-I85 PolarHBondContact O-N 2.87Å; E81-I85 VanDerWaalsContact O-N 3.09Å; I82-I85 PolarHBondContact O-N 3.38Å; E83-I85 PolarHBondContact O-N 3.26Å; I85-K89 HydrophobicContact CG2-CD 4.11Å; I85-K89 WeakPolarHBondContact O-CB 3.41Å; I85-K89 WeakPolarHBondContact O-CG 3.47Å; I85-K89 PolarHBondContact O-N 3.07Å
86L97.3Very high95.1Very high22 Ų2265.9 Ų65.912%0.11531%0.313CS..Hα-helixtrans-63.5-49.1178.2-72174000111.3I82 E83 H88 K89 F90 M149 K150 V153I82-L86 HydrophobicContact CD1-CG 4.45Å; I82-L86 HydrophobicContact CG1-CD1 4Å; I82-L86 HydrophobicContact CG1-CG 4.36Å; I82-L86 WeakPolarHBondContact O-CB 3.43Å; I82-L86 VanDerWaalsContact O-CG 3.23Å; I82-L86 WeakPolarHBondContact O-CG 3.38Å; I82-L86 PolarHBondContact O-N 3.2Å; E83-L86 PolarHBondContact O-N 2.93Å; L86-H88 PolarHBondContact O-N 3Å; L86-K89 PolarHBondContact O-N 3.34Å; L86-F90 VanDerWaalsContact O-CB 3.26Å; L86-F90 WeakPolarHBondContact O-CB 3.35Å; L86-F90 PolarHBondContact O-N 3.26Å; L86-M149 HydrophobicContact CB-CE 4.48Å; L86-M149 HydrophobicContact CD1-CB 4.04Å; L86-M149 HydrophobicContact CD2-CB 4.21Å; L86-K150 HydrophobicContact CD1-CB 3.92Å; L86-V153 HydrophobicContact CD2-CG2 4.46Å
87C97Very high94.9Very high0 Ų070.9 Ų70.90%033%0.331CS..Hα-helixtrans-56.1-52.8175.8-173.70000110.5Q78 E83 K89 F90 M91 I146Q78-C87 HydrophobicContact CG-CB 4.15Å; E83-C87 WeakPolarHBondContact O-CB 3.2Å; E83-C87 PolarHBondContact O-N 3.37Å; C87-K89 PolarHBondContact O-N 2.91Å; C87-F90 PolarHBondContact O-N 3.21Å; C87-M91 WeakPolarHBondContact O-CG 3.41Å; C87-M91 PolarHBondContact O-N 3.31Å; C87-I146 HydrophobicContact CB-CD1 3.77Å
88H96.4Very high94.8Very high122 Ų12266.8 Ų66.857%0.56532%0.315SS*.Hα-helixtrans-57.5-44.9179.2174.6-107.7000112.7K84 L86 R92K84-H88 VanDerWaalsContact O-CB 3.29Å; K84-H88 WeakPolarHBondContact O-CB 3.36Å; K84-H88 PolarHBondContact O-N 2.83Å; L86-H88 PolarHBondContact O-N 3Å; H88-R92 VanDerWaalsContact O-CB 3.22Å; H88-R92 WeakPolarHBondContact O-CB 3.33Å; H88-R92 PolarHBondContact O-N 3.34Å
89K96.6Very high94.3Very high131 Ų13171.6 Ų71.657%0.5734%0.337SS*.Hα-helixtrans-66.9-41.5177.7-74.7-179.8-174.1-70.90112I85 L86 C87 R92 F93I85-K89 HydrophobicContact CG2-CD 4.11Å; I85-K89 WeakPolarHBondContact O-CB 3.41Å; I85-K89 WeakPolarHBondContact O-CG 3.47Å; I85-K89 PolarHBondContact O-N 3.07Å; L86-K89 PolarHBondContact O-N 3.34Å; C87-K89 PolarHBondContact O-N 2.91Å; K89-R92 PolarHBondContact O-N 3.19Å; K89-F93 WeakPolarHBondContact O-CB 3.32Å; K89-F93 PolarHBondContact O-N 3.43Å
90F96.3Very high93.8Very high48 Ų4875.3 Ų75.321%0.21135%0.349CS..Hα-helixtrans-67-45.8-179.5-175.9-132.5000111.6L86 C87 R92 F93 M94 I142 E145 M149L86-F90 VanDerWaalsContact O-CB 3.26Å; L86-F90 WeakPolarHBondContact O-CB 3.35Å; L86-F90 PolarHBondContact O-N 3.26Å; C87-F90 PolarHBondContact O-N 3.21Å; F90-R92 VanDerWaalsContact C-N 3.35Å; F90-R92 PolarHBondContact O-N 3.07Å; F90-F93 WeakPolarHBondContact O-CB 3.35Å; F90-F93 PolarHBondContact O-N 3.22Å; F90-M94 HydrophobicContact CD1-CE 3.97Å; F90-M94 HydrophobicContact CE1-CE 3.77Å; F90-M94 HydrophobicContact CE1-SD 4.25Å; F90-M94 HydrophobicContact CE2-CG 4.41Å; F90-M94 HydrophobicContact CE2-SD 4.33Å; F90-M94 HydrophobicContact CG-CE 4.39Å; F90-M94 HydrophobicContact CZ-CE 4.06Å; F90-M94 HydrophobicContact CZ-SD 3.95Å; F90-M94 PolarHBondContact O-N 3.21Å; F90-M94 VanDerWaalsContact O-N 3.07Å; F90-I142 HydrophobicContact CE1-CG1 4.43Å; F90-E145 HydrophobicContact CD1-CG 4.48Å; F90-E145 HydrophobicContact CE1-CB 4.29Å; F90-E145 HydrophobicContact CE1-CG 3.87Å; F90-E145 HydrophobicContact CE2-CG 4.32Å; F90-E145 HydrophobicContact CZ-CG 3.79Å; F90-M149 HydrophobicContact CB-CE 3.91Å; F90-M149 HydrophobicContact CD1-CE 4.09Å; F90-M149 HydrophobicContact CD2-CE 4.47Å; F90-M149 HydrophobicContact CG-CE 3.92Å
91M96.5Very high93.3Very high2 Ų274.7 Ų74.71%0.0134%0.343CS..Hα-helixtrans-62.1-44.5175.9-64.5-45103.500110.8C87 F93 M94 M95 D113 I114 F138 I142C87-M91 WeakPolarHBondContact O-CG 3.41Å; C87-M91 PolarHBondContact O-N 3.31Å; M91-F93 VanDerWaalsContact C-N 3.3Å; M91-F93 PolarHBondContact O-N 3.23Å; M91-M94 HydrophobicContact CE-CE 3.28Å; M91-M94 PolarHBondContact O-N 3.47Å; M91-M94 HydrophobicContact SD-CE 3.36Å; M91-M94 WeakPolarHBondContact SD-CE 3.3Å; M91-M95 HydrophobicContact CB-CE 4.28Å; M91-M95 WeakPolarHBondContact O-CG 3.35Å; M91-M95 PolarHBondContact O-N 3.3Å; M91-D113 HydrophobicContact CG-CB 4.12Å; M91-I114 HydrophobicContact CG-CB 4.28Å; M91-I114 HydrophobicContact SD-CB 3.83Å; M91-I114 HydrophobicContact SD-CD1 3.74Å; M91-I114 HydrophobicContact SD-CG1 4.38Å; M91-I114 HydrophobicContact SD-CG2 4.02Å; M91-F138 HydrophobicContact SD-CZ 4.28Å; M91-I142 HydrophobicContact CE-CD1 3.2Å; M91-I142 HydrophobicContact CE-CG1 3.73Å; M91-I142 HydrophobicContact SD-CD1 3.52Å; M91-I142 VanDerWaalsContact SD-CD1 3.52Å
92R95Very high92.9Very high143 Ų14373.9 Ų73.954%0.5434%0.338SS..Hα-helixtrans-59.2-41.3175.6-177178.6169.4-155.4-3.9112H88 K89 F90 M94 M95 M96H88-R92 VanDerWaalsContact O-CB 3.22Å; H88-R92 WeakPolarHBondContact O-CB 3.33Å; H88-R92 PolarHBondContact O-N 3.34Å; K89-R92 PolarHBondContact O-N 3.19Å; F90-R92 VanDerWaalsContact C-N 3.35Å; F90-R92 PolarHBondContact O-N 3.07Å; R92-M94 VanDerWaalsContact C-N 3.33Å; R92-M94 PolarHBondContact O-N 3.34Å; R92-M95 PolarHBondContact O-N 2.97Å; R92-M96 WeakPolarHBondContact O-CG 3.42Å; R92-M96 PolarHBondContact O-N 2.92Å
93F94.7Very high92.8Very high94 Ų9471.3 Ų71.341%0.41233%0.325SS..Hα-helixtrans-60.8-41.5176.8175.2-88.3000112.6K89 F90 M91 M96 R97K89-F93 WeakPolarHBondContact O-CB 3.32Å; K89-F93 PolarHBondContact O-N 3.43Å; F90-F93 WeakPolarHBondContact O-CB 3.35Å; F90-F93 PolarHBondContact O-N 3.22Å; M91-F93 VanDerWaalsContact C-N 3.3Å; M91-F93 PolarHBondContact O-N 3.23Å; F93-M96 HydrophobicContact CB-CE 4.44Å; F93-R97 VanDerWaalsContact CE2-NH2 3.28Å; F93-R97 PolarHBondContact O-NH1 3.42Å
94M93.9Very high92.8Very high23 Ų2371 Ų7111%0.11332%0.324CS..Hα-helixtrans-67.9-43.4175.5-67.9-169.1-72.500111.9F90 M91 R92 M96 R97 A98 L104 I114 F138F90-M94 HydrophobicContact CD1-CE 3.97Å; F90-M94 HydrophobicContact CE1-CE 3.77Å; F90-M94 HydrophobicContact CE1-SD 4.25Å; F90-M94 HydrophobicContact CE2-CG 4.41Å; F90-M94 HydrophobicContact CE2-SD 4.33Å; F90-M94 HydrophobicContact CG-CE 4.39Å; F90-M94 HydrophobicContact CZ-CE 4.06Å; F90-M94 HydrophobicContact CZ-SD 3.95Å; F90-M94 PolarHBondContact O-N 3.21Å; F90-M94 VanDerWaalsContact O-N 3.07Å; M91-M94 HydrophobicContact CE-CE 3.28Å; M91-M94 PolarHBondContact O-N 3.47Å; M91-M94 HydrophobicContact SD-CE 3.36Å; M91-M94 WeakPolarHBondContact SD-CE 3.3Å; R92-M94 VanDerWaalsContact C-N 3.33Å; R92-M94 PolarHBondContact O-N 3.34Å; M94-M96 VanDerWaalsContact C-N 3.29Å; M94-M96 PolarHBondContact O-N 3.4Å; M94-R97 CarbonylContact O-C 3.54Å; M94-R97 WeakPolarHBondContact O-CA 3.22Å; M94-R97 PolarHBondContact O-N 3.17Å; M94-A98 PolarHBondContact O-N 2.82Å; M94-L104 HydrophobicContact CB-CD1 4.29Å; M94-I114 HydrophobicContact CB-CD1 4.45Å; M94-I114 HydrophobicContact CE-CD1 3.85Å; M94-F138 HydrophobicContact CE-CE2 3.64Å; M94-F138 HydrophobicContact CE-CZ 3.61Å; M94-F138 HydrophobicContact SD-CE2 3.63Å; M94-F138 HydrophobicContact SD-CZ 4.22Å
95M93.4Very high92.8Very high28 Ų2868.4 Ų68.414%0.13831%0.311CS..Hα-helixtrans-61.9-33.1176.9-70.8-172.8-72.300113.6M91 R92 R97 A98 L104 R105 P108M91-M95 HydrophobicContact CB-CE 4.28Å; M91-M95 WeakPolarHBondContact O-CG 3.35Å; M91-M95 PolarHBondContact O-N 3.3Å; R92-M95 PolarHBondContact O-N 2.97Å; M95-R97 PolarHBondContact O-N 3.46Å; M95-A98 VanDerWaalsContact O-CB 3.32Å; M95-A98 WeakPolarHBondContact O-CB 3.4Å; M95-A98 PolarHBondContact O-N 2.86Å; M95-L104 VanDerWaalsContact CA-CD2 3.42Å; M95-L104 HydrophobicContact CB-CD2 4.07Å; M95-L104 HydrophobicContact CG-CD2 3.58Å; M95-R105 WeakPolarHBondContact CG-O 3.33Å; M95-P108 HydrophobicContact CE-CG 4.42Å; M95-P108 VanDerWaalsContact SD-CD 3.54Å; M95-P108 HydrophobicContact SD-CG 4.33Å
96M92.3Very high92.7Very high119 Ų11972.7 Ų72.759%0.58632%0.322SS*.THydrogen-bonded Turntrans-65.2-16.3172.5-72.1-173.3-61.800113.3R92 F93 M94R92-M96 WeakPolarHBondContact O-CG 3.42Å; R92-M96 PolarHBondContact O-N 2.92Å; F93-M96 HydrophobicContact CB-CE 4.44Å; M94-M96 VanDerWaalsContact C-N 3.29Å; M94-M96 PolarHBondContact O-N 3.4Å
97R92Very high92.6Very high114 Ų11479.4 Ų79.443%0.4335%0.35SS..THydrogen-bonded Turntrans-109.315.4179.4-69.8172.8172.467.62.5113F93 M94 M95 E99 N100 F101F93-R97 VanDerWaalsContact CE2-NH2 3.28Å; F93-R97 PolarHBondContact O-NH1 3.42Å; M94-R97 CarbonylContact O-C 3.54Å; M94-R97 WeakPolarHBondContact O-CA 3.22Å; M94-R97 PolarHBondContact O-N 3.17Å; M95-R97 PolarHBondContact O-N 3.46Å; R97-E99 PolarHBondContact O-N 2.82Å; R97-N100 PolarHBondContact O-N 2.99Å; R97-F101 PolarHBondContact O-N 2.95Å
98A88.3Confident92.6Very high9 Ų981.6 Ų81.67%0.07437%0.365CS..THydrogen-bonded Turntrans-57.5-18.3-179.800000114.1M94 M95 F101 F102 L104 R106M94-A98 PolarHBondContact O-N 2.82Å; M95-A98 VanDerWaalsContact O-CB 3.32Å; M95-A98 WeakPolarHBondContact O-CB 3.4Å; M95-A98 PolarHBondContact O-N 2.86Å; A98-F101 CarbonylContact O-C 3.6Å; A98-F102 PolarHBondContact O-N 2.87Å; A98-L104 HydrophobicContact CB-CB 4.22Å; A98-L104 HydrophobicContact CB-CD2 4.13Å; A98-R106 HydrophobicContact CB-CG 4.16Å
99E82.2Confident92.7Very high140 Ų14077.2 Ų77.265%0.65435%0.346SS*.THydrogen-bonded Turntrans-68.8-40.9173-68179.4-179.100112.4R97 R106R97-E99 PolarHBondContact O-N 2.82Å; E99-R106 VanDerWaalsContact CG-NH2 3.35Å; E99-R106 IonicContact OE1-CZ 3.99Å; E99-R106 IonicContact OE1-NH1 3.28Å; E99-R106 PolarHBondContact OE1-NH1 2.87Å; E99-R106 IonicContact OE1-NH2 3.76Å; E99-R106 PolarHBondContact OE1-NH2 3.41Å
100N83.5Confident92.7Very high140 Ų14079.9 Ų79.975%0.74936%0.361SS*.THydrogen-bonded Turntrans-79.7-28.2174.2-63.3-33.6000111.3R97R97-N100 PolarHBondContact O-N 2.99Å
101F83.7Confident92.6Very high49 Ų4980.7 Ų80.722%0.21538%0.383CS..SBendtrans-106.472.7179.1-161.6-21.5000109.5R97 A98 I103 L104 F116 F134R97-F101 PolarHBondContact O-N 2.95Å; A98-F101 CarbonylContact O-C 3.6Å; F101-I103 HydrophobicContact CD1-CG1 3.8Å; F101-I103 HydrophobicContact CE1-CD1 3.89Å; F101-I103 HydrophobicContact CE1-CG1 3.43Å; F101-I103 VanDerWaalsContact CE1-CG1 3.43Å; F101-I103 PolarHBondContact O-N 3.07Å; F101-L104 HydrophobicContact CB-CB 4.28Å; F101-L104 HydrophobicContact CD1-CB 4.13Å; F101-L104 HydrophobicContact CD1-CD1 4.31Å; F101-L104 HydrophobicContact CD2-CD1 3.58Å; F101-L104 HydrophobicContact CE1-CD1 4.27Å; F101-L104 HydrophobicContact CE2-CD1 3.52Å; F101-L104 HydrophobicContact CG-CB 4.1Å; F101-L104 HydrophobicContact CG-CD1 3.92Å; F101-L104 HydrophobicContact CZ-CD1 3.81Å; F101-L104 WeakPolarHBondContact O-CB 3.38Å; F101-L104 PolarHBondContact O-N 3.02Å; F101-F116 HydrophobicContact CE1-CE1 4Å; F101-F116 AromaticContact CZ-CE1 3.68Å; F101-F116 HydrophobicContact CZ-CE1 3.68Å; F101-F116 HydrophobicContact CZ-CZ 4.44Å; F101-F134 AromaticContact CE1-CE1 3.61Å; F101-F134 HydrophobicContact CE1-CE1 3.61Å; F101-F134 AromaticContact CE1-CZ 3.65Å; F101-F134 HydrophobicContact CE1-CZ 3.65Å; F101-F134 HydrophobicContact CE2-CE1 4.44Å; F101-F134 AromaticContact CE2-CZ 3.89Å; F101-F134 HydrophobicContact CE2-CZ 3.89Å; F101-F134 AromaticContact CZ-CE1 3.29Å; F101-F134 HydrophobicContact CZ-CE1 3.29Å; F101-F134 HydrophobicContact CZ-CE2 4.19Å; F101-F134 AromaticContact CZ-CZ 3.07Å; F101-F134 HydrophobicContact CZ-CZ 3.07Å
102F87Confident92.7Very high108 Ų10882 Ų8247%0.47439%0.388SS..THydrogen-bonded Turntrans-63.8-12.7-163.254.4-90.2000116.3A98 H122 M126A98-F102 PolarHBondContact O-N 2.87Å; F102-H122 AromaticContact CD2-CD2 3.62Å; F102-H122 AromaticContact CD2-NE2 3.67Å; F102-H122 AromaticContact CE2-CD2 3.95Å; F102-M126 HydrophobicContact CD2-CE 4.47Å; F102-M126 HydrophobicContact CE2-CE 3.31Å; F102-M126 HydrophobicContact CE2-SD 3.69Å; F102-M126 HydrophobicContact CZ-CE 3.77Å; F102-M126 HydrophobicContact CZ-SD 3.44Å; F102-M126 WeakPolarHBondContact CZ-SD 3.33Å
103I93.8Very high92.9Very high6 Ų677 Ų773%0.03137%0.372CS..THydrogen-bonded Turntrans-91.3-1.5171.865.2170.3000113.5F101 F116 L117 I118 H122 M126 L131 F134F101-I103 HydrophobicContact CD1-CG1 3.8Å; F101-I103 HydrophobicContact CE1-CD1 3.89Å; F101-I103 HydrophobicContact CE1-CG1 3.43Å; F101-I103 VanDerWaalsContact CE1-CG1 3.43Å; F101-I103 PolarHBondContact O-N 3.07Å; I103-F116 HydrophobicContact CD1-CD1 4.18Å; I103-F116 HydrophobicContact CG1-CD1 4.04Å; I103-F116 CarbonylContact O-C 3.53Å; I103-F116 VanDerWaalsContact O-CA 3.23Å; I103-F116 WeakPolarHBondContact O-CA 3.35Å; I103-F116 WeakPolarHBondContact O-CB 3.35Å; I103-L117 PolarHBondContact O-N 2.96Å; I103-I118 HydrophobicContact CB-CG1 4.39Å; I103-H122 HydrophobicContact CG2-CB 4.42Å; I103-M126 HydrophobicContact CG2-CE 4.37Å; I103-L131 HydrophobicContact CD1-CD2 4.08Å; I103-L131 HydrophobicContact CG2-CD2 4.28Å; I103-F134 HydrophobicContact CD1-CD1 3.87Å; I103-F134 HydrophobicContact CD1-CE1 4.08Å
104L95.8Very high93Very high12 Ų1272.6 Ų72.66%0.06335%0.352CS..BIsolated β-bridgetrans-93.1134.8-173.7-154.3135.6000110.8M94 M95 A98 F101 I114 F116M94-L104 HydrophobicContact CB-CD1 4.29Å; M95-L104 VanDerWaalsContact CA-CD2 3.42Å; M95-L104 HydrophobicContact CB-CD2 4.07Å; M95-L104 HydrophobicContact CG-CD2 3.58Å; A98-L104 HydrophobicContact CB-CB 4.22Å; A98-L104 HydrophobicContact CB-CD2 4.13Å; F101-L104 HydrophobicContact CB-CB 4.28Å; F101-L104 HydrophobicContact CD1-CB 4.13Å; F101-L104 HydrophobicContact CD1-CD1 4.31Å; F101-L104 HydrophobicContact CD2-CD1 3.58Å; F101-L104 HydrophobicContact CE1-CD1 4.27Å; F101-L104 HydrophobicContact CE2-CD1 3.52Å; F101-L104 HydrophobicContact CG-CB 4.1Å; F101-L104 HydrophobicContact CG-CD1 3.92Å; F101-L104 HydrophobicContact CZ-CD1 3.81Å; F101-L104 WeakPolarHBondContact O-CB 3.38Å; F101-L104 PolarHBondContact O-N 3.02Å; L104-I114 HydrophobicContact CD1-CD1 4Å; L104-I114 HydrophobicContact CD2-CD1 4.45Å; L104-I114 HydrophobicContact CG-CD1 4.38Å; L104-F116 HydrophobicContact CD1-CE1 3.88Å; L104-F116 HydrophobicContact CG-CD1 4.45Å; L104-F116 HydrophobicContact CG-CE1 4.29Å
105R96.6Very high93.2Very high44 Ų4471.5 Ų71.517%0.16635%0.347CS..  trans-79.3140.2175.1-65.9179.875.7-120.312.8110.1E39 M95 K107 S115 L117E39-R105 IonicContact OE1-CZ 2.77Å; E39-R105 IonicContact OE1-NE 3.83Å; E39-R105 PolarHBondContact OE1-NE 3.37Å; E39-R105 IonicContact OE1-NH2 3.93Å; E39-R105 PolarHBondContact OE1-NH2 3.11Å; E39-R105 IonicContact OE2-CZ 2.71Å; E39-R105 IonicContact OE2-NE 3.59Å; E39-R105 IonicContact OE2-NH2 3.51Å; E39-R105 PolarHBondContact OE2-NH2 3.14Å; M95-R105 WeakPolarHBondContact CG-O 3.33Å; R105-K107 VanDerWaalsContact CB-O 3.32Å; R105-K107 WeakPolarHBondContact CB-O 3.47Å; R105-K107 PolarHBondContact NH1-O 3.41Å; R105-K107 PolarHBondContact O-N 3.22Å; R105-S115 WeakPolarHBondContact CB-O 3.46Å; R105-S115 PolarHBondContact N-O 3.37Å; R105-L117 HydrophobicContact CG-CB 3.6Å
106R94.8Very high93.4Very high172 Ų17270.1 Ų70.165%0.64934%0.34SS*.SBendtrans-64.6-20.9177.1-64.3-176.4-177.6-121.5-1.9113.7A98 E99A98-R106 HydrophobicContact CB-CG 4.16Å; E99-R106 VanDerWaalsContact CG-NH2 3.35Å; E99-R106 IonicContact OE1-CZ 3.99Å; E99-R106 IonicContact OE1-NH1 3.28Å; E99-R106 PolarHBondContact OE1-NH1 2.87Å; E99-R106 IonicContact OE1-NH2 3.76Å; E99-R106 PolarHBondContact OE1-NH2 3.41Å
107K95.4Very high93.7Very high163 Ų16366.1 Ų66.171%0.70932%0.321SS*.SBendtrans-138142.2174.9-69.4-175.2177.9-179.50108.9R105R105-K107 VanDerWaalsContact CB-O 3.32Å; R105-K107 WeakPolarHBondContact CB-O 3.47Å; R105-K107 PolarHBondContact NH1-O 3.41Å; R105-K107 PolarHBondContact O-N 3.22Å
108P97Very high94Very high46 Ų4660.7 Ų60.730%0.29930%0.301SS..PPolyproline II helixtrans-74.1166.1174.733.6-31000110.3M95 Y112 S115M95-P108 HydrophobicContact CE-CG 4.42Å; M95-P108 VanDerWaalsContact SD-CD 3.54Å; M95-P108 HydrophobicContact SD-CG 4.33Å; P108-Y112 WeakPolarHBondContact CB-O 3.49Å; P108-S115 WeakPolarHBondContact CA-OG 3.46Å
109V97.3Very high94.5Very high30 Ų3061.1 Ų61.118%0.18230%0.302CS..PPolyproline II helixtrans-68.4145.4164.1174.60000108.9R71 S73 G111 Y112 S115R71-V109 HydrophobicContact CG-CG2 4.43Å; S73-V109 WeakPolarHBondContact OG-CG2 3.37Å; V109-G111 PolarHBondContact O-N 3.27Å; V109-Y112 HydrophobicContact CB-CD2 4.19Å; V109-Y112 HydrophobicContact CG1-CD2 4.03Å; V109-Y112 PolarHBondContact O-N 3.01Å; V109-S115 PolarHBondContact N-OG 3.07Å
110E96.6Very high95.2Very high187 Ų18754.5 Ų54.587%0.87427%0.272SS*.THydrogen-bonded Turntrans-56.6133.1177.7-172.4176.8-179.600111.2Y112E110-Y112 VanDerWaalsContact C-N 3.33Å; E110-Y112 WeakPolarHBondContact O-CD2 3.37Å
111G96Very high95.8Very high65 Ų6552 Ų5267%0.6725%0.254SS*.THydrogen-bonded Turntrans80.57.2-17600000115.3V109V109-G111 PolarHBondContact O-N 3.27Å
112Y98Very high96.4Very high30 Ų3050.9 Ų50.912%0.11825%0.25CC..  trans-126.9156.9174.3-65.4-96.3000110.5K60 L62 S73 A75 P108 V109 E110K60-Y112 HydrophobicContact CD-CE1 4.48Å; K60-Y112 HydrophobicContact CG-CE1 4.04Å; L62-Y112 HydrophobicContact CB-CE1 3.68Å; L62-Y112 HydrophobicContact CB-CE2 4.16Å; L62-Y112 VanDerWaalsContact CB-CZ 3.47Å; L62-Y112 WeakPolarHBondContact CB-OH 3.46Å; L62-Y112 HydrophobicContact CD2-CE2 3.88Å; S73-Y112 VanDerWaalsContact C-CD1 3.48Å; S73-Y112 WeakPolarHBondContact O-CD1 3.46Å; A75-Y112 HydrophobicContact CB-CD1 4.07Å; A75-Y112 HydrophobicContact CB-CE1 4.45Å; P108-Y112 WeakPolarHBondContact CB-O 3.49Å; V109-Y112 HydrophobicContact CB-CD2 4.19Å; V109-Y112 HydrophobicContact CG1-CD2 4.03Å; V109-Y112 PolarHBondContact O-N 3.01Å; E110-Y112 VanDerWaalsContact C-N 3.33Å; E110-Y112 WeakPolarHBondContact O-CD2 3.37Å
113D97.8Very high96.8Very high39 Ų3947.4 Ų47.421%0.20924%0.237CC..SBendtrans-90.1-33.1-173.6-60.4-61.4000112.4I74 A75 V76 Q78 M91I74-D113 PolarHBondContact O-N 2.75Å; A75-D113 WeakPolarHBondContact CA-OD2 3.18Å; V76-D113 HydrophobicContact CG2-CB 4.15Å; V76-D113 PolarHBondContact N-OD2 2.8Å; Q78-D113 PolarHBondContact NE2-OD1 2.79Å; Q78-D113 PolarHBondContact NE2-OD2 2.77Å; Q78-D113 VanDerWaalsContact NE2-OD2 3.16Å; M91-D113 HydrophobicContact CG-CB 4.12Å
114I97.8Very high96.9Very high0 Ų052.5 Ų52.50%026%0.261CS..EExtended strand (participates in β ladder)trans-148.7151.4177.6-163.2159.3000111.2S73 I74 M91 M94 L104 F138S73-I114 WeakPolarHBondContact CA-O 3.33Å; I74-I114 HydrophobicContact CB-CG2 4.11Å; I74-I114 HydrophobicContact CD1-CG2 4.42Å; I74-I114 PolarHBondContact N-O 2.81Å; I74-I114 PolarHBondContact O-N 3.07Å; M91-I114 HydrophobicContact CG-CB 4.28Å; M91-I114 HydrophobicContact SD-CB 3.83Å; M91-I114 HydrophobicContact SD-CD1 3.74Å; M91-I114 HydrophobicContact SD-CG1 4.38Å; M91-I114 HydrophobicContact SD-CG2 4.02Å; M94-I114 HydrophobicContact CB-CD1 4.45Å; M94-I114 HydrophobicContact CE-CD1 3.85Å; L104-I114 HydrophobicContact CD1-CD1 4Å; L104-I114 HydrophobicContact CD2-CD1 4.45Å; L104-I114 HydrophobicContact CG-CD1 4.38Å; I114-F138 HydrophobicContact CD1-CZ 3.83Å; I114-F138 HydrophobicContact CG2-CE1 3.84Å; I114-F138 HydrophobicContact CG2-CZ 4.12Å
115S98.3Very high96.8Very high0 Ų059.4 Ų59.40%029%0.293CS..EExtended strand (participates in β ladder)trans-137140.2176.1-580000112.1V72 S73 R105 P108 V109V72-S115 CarbonylContact O-C 3.59Å; V72-S115 WeakPolarHBondContact O-CA 3.34Å; S73-S115 WeakPolarHBondContact CB-OG 3.31Å; S73-S115 PolarHBondContact OG-OG 3.02Å; R105-S115 WeakPolarHBondContact CB-O 3.46Å; R105-S115 PolarHBondContact N-O 3.37Å; P108-S115 WeakPolarHBondContact CA-OG 3.46Å; V109-S115 PolarHBondContact N-OG 3.07Å
116F98.2Very high96.7Very high0 Ų059.8 Ų59.80%030%0.297CS..EExtended strand (participates in β ladder)trans-103148.2169.8-59.9-78.2000110.3R71 V72 I74 F101 I103 L104 F134 F138R71-F116 WeakPolarHBondContact CA-O 3.25Å; V72-F116 HydrophobicContact CB-CB 4.31Å; V72-F116 PolarHBondContact N-O 3.49Å; V72-F116 PolarHBondContact O-N 3.48Å; I74-F116 HydrophobicContact CD1-CD2 4.16Å; I74-F116 HydrophobicContact CD1-CE2 3.71Å; F101-F116 HydrophobicContact CE1-CE1 4Å; F101-F116 AromaticContact CZ-CE1 3.68Å; F101-F116 HydrophobicContact CZ-CE1 3.68Å; F101-F116 HydrophobicContact CZ-CZ 4.44Å; I103-F116 HydrophobicContact CD1-CD1 4.18Å; I103-F116 HydrophobicContact CG1-CD1 4.04Å; I103-F116 CarbonylContact O-C 3.53Å; I103-F116 VanDerWaalsContact O-CA 3.23Å; I103-F116 WeakPolarHBondContact O-CA 3.35Å; I103-F116 WeakPolarHBondContact O-CB 3.35Å; L104-F116 HydrophobicContact CD1-CE1 3.88Å; L104-F116 HydrophobicContact CG-CD1 4.45Å; L104-F116 HydrophobicContact CG-CE1 4.29Å; F116-F134 HydrophobicContact CE1-CE1 4.16Å; F116-F134 HydrophobicContact CZ-CE1 4.36Å; F116-F138 AromaticContact CE2-CD1 3.9Å; F116-F138 HydrophobicContact CE2-CD1 3.9Å; F116-F138 HydrophobicContact CE2-CE1 4.08Å; F116-F138 HydrophobicContact CE2-CG 4.37Å; F116-F138 AromaticContact CZ-CD1 3.81Å; F116-F138 HydrophobicContact CZ-CD1 3.81Å; F116-F138 HydrophobicContact CZ-CD2 4.09Å; F116-F138 AromaticContact CZ-CE1 3.95Å; F116-F138 HydrophobicContact CZ-CE1 3.95Å; F116-F138 HydrophobicContact CZ-CE2 4.2Å; F116-F138 AromaticContact CZ-CG 3.89Å; F116-F138 HydrophobicContact CZ-CG 3.89Å; F116-F138 HydrophobicContact CZ-CZ 4.14Å
117L98.2Very high96.8Very high34 Ų3459.8 Ų59.818%0.17830%0.298CS..EExtended strand (participates in β ladder)trans-126.2109.4170.7177.664.2000108.3P36 V38 E39 I103 R105 T119 H122P36-L117 HydrophobicContact CB-CD1 4.23Å; P36-L117 HydrophobicContact CB-CD2 4.38Å; P36-L117 HydrophobicContact CG-CD2 4.17Å; V38-L117 HydrophobicContact CG1-CD1 3.7Å; E39-L117 HydrophobicContact CG-CD1 4.05Å; E39-L117 HydrophobicContact CG-CD2 3.89Å; I103-L117 PolarHBondContact O-N 2.96Å; R105-L117 HydrophobicContact CG-CB 3.6Å; L117-T119 HydrophobicContact CG-CG2 4.36Å; L117-H122 PolarHBondContact O-CE1 3.05Å
118I98.1Very high96.8Very high0 Ų056.8 Ų56.80%029%0.285CS..EExtended strand (participates in β ladder)trans-105.3128.1178.5-57.3171.6000107.8L20 L22 S69 V70 I103 H122 T123 L131L20-I118 HydrophobicContact CD1-CD1 4.33Å; L20-I118 HydrophobicContact CD2-CB 3.97Å; L20-I118 HydrophobicContact CD2-CD1 3.99Å; L20-I118 HydrophobicContact CD2-CG2 3.59Å; L22-I118 HydrophobicContact CD1-CG2 4.35Å; S69-I118 CarbonylContact C-O 3.52Å; S69-I118 WeakPolarHBondContact CA-O 3.35Å; S69-I118 WeakPolarHBondContact CB-O 3.39Å; V70-I118 PolarHBondContact N-O 2.71Å; V70-I118 PolarHBondContact O-N 2.84Å; I103-I118 HydrophobicContact CB-CG1 4.39Å; I118-H122 HydrophobicContact CG2-CB 4.12Å; I118-T123 HydrophobicContact CG2-CG2 4.31Å; I118-L131 HydrophobicContact CG2-CD1 3.87Å
119T98.1Very high96.7Very high18 Ų1859.4 Ų59.411%0.1129%0.293CS..EExtended strand (participates in β ladder)trans-115.5168.9-179.763.60000110.4P36 N68 L117 F121 H122 T123P36-T119 HydrophobicContact CB-CG2 4.33Å; N68-T119 CarbonylContact O-C 3.51Å; N68-T119 WeakPolarHBondContact O-CA 3.38Å; L117-T119 HydrophobicContact CG-CG2 4.36Å; T119-F121 PolarHBondContact O-N 2.89Å; T119-H122 PolarHBondContact N-ND1 2.88Å; T119-H122 VanDerWaalsContact N-ND1 3.14Å; T119-H122 WeakPolarHBondContact O-CB 3.49Å; T119-H122 PolarHBondContact O-N 3.48Å; T119-H122 PolarHBondContact OG1-ND1 2.92Å; T119-T123 PolarHBondContact O-N 3.43Å
120N97.3Very high96.7Very high2 Ų263.9 Ų63.91%0.01131%0.31CS..Hα-helixtrans-54.2-38.1173.667.6-72.2000112L22 N24 N68 H122 T123 E124L22-N120 HydrophobicContact CB-CB 4.24Å; N24-N120 WeakPolarHBondContact CB-ND2 3.02Å; N68-N120 PolarHBondContact O-N 2.91Å; N120-H122 VanDerWaalsContact C-N 3.25Å; N120-H122 PolarHBondContact O-N 2.77Å; N120-T123 WeakPolarHBondContact CA-OG1 3.23Å; N120-T123 CarbonylContact O-C 3.57Å; N120-T123 PolarHBondContact O-N 3.01Å; N120-T123 VanDerWaalsContact O-N 3.07Å; N120-T123 PolarHBondContact O-OG1 3Å; N120-E124 PolarHBondContact ND2-OE1 3.19Å; N120-E124 VanDerWaalsContact O-CG 3.27Å; N120-E124 WeakPolarHBondContact O-CG 3.33Å; N120-E124 PolarHBondContact O-N 2.99Å
121F96.8Very high96.7Very high87 Ų8755.3 Ų55.338%0.38227%0.27SS..Hα-helixtrans-59.1-36.5177.7-59.7-61.7000112.6T119 Q125T119-F121 PolarHBondContact O-N 2.89Å; F121-Q125 WeakPolarHBondContact O-CG 3.26Å; F121-Q125 PolarHBondContact O-N 2.74Å
122H96.6Very high96.8Very high26 Ų2652.5 Ų52.512%0.1224%0.24CC..Hα-helixtrans-68.2-41.3176.1-59.4149.2000111.6F102 I103 L117 I118 T119 N120 E124 Q125 M126 L131F102-H122 AromaticContact CD2-CD2 3.62Å; F102-H122 AromaticContact CD2-NE2 3.67Å; F102-H122 AromaticContact CE2-CD2 3.95Å; I103-H122 HydrophobicContact CG2-CB 4.42Å; L117-H122 PolarHBondContact O-CE1 3.05Å; I118-H122 HydrophobicContact CG2-CB 4.12Å; T119-H122 PolarHBondContact N-ND1 2.88Å; T119-H122 VanDerWaalsContact N-ND1 3.14Å; T119-H122 WeakPolarHBondContact O-CB 3.49Å; T119-H122 PolarHBondContact O-N 3.48Å; T119-H122 PolarHBondContact OG1-ND1 2.92Å; N120-H122 VanDerWaalsContact C-N 3.25Å; N120-H122 PolarHBondContact O-N 2.77Å; H122-E124 VanDerWaalsContact C-N 3.32Å; H122-Q125 PolarHBondContact O-N 2.95Å; H122-M126 HydrophobicContact CB-CE 3.59Å; H122-M126 WeakPolarHBondContact O-CB 3.46Å; H122-M126 VanDerWaalsContact O-CE 3.27Å; H122-M126 WeakPolarHBondContact O-CE 3.15Å; H122-M126 PolarHBondContact O-N 3.43Å; H122-L131 HydrophobicContact CB-CD1 4.34Å
123T95.3Very high96.8Very high34 Ų3453.8 Ų53.821%0.20925%0.249CC..Hα-helixtrans-76.1-19179.150.70000113.7L22 I118 T119 N120 M126 K128 L131L22-T123 HydrophobicContact CD1-CG2 4.36Å; I118-T123 HydrophobicContact CG2-CG2 4.31Å; T119-T123 PolarHBondContact O-N 3.43Å; N120-T123 WeakPolarHBondContact CA-OG1 3.23Å; N120-T123 CarbonylContact O-C 3.57Å; N120-T123 PolarHBondContact O-N 3.01Å; N120-T123 VanDerWaalsContact O-N 3.07Å; N120-T123 PolarHBondContact O-OG1 3Å; T123-M126 CarbonylContact C-O 3.59Å; T123-M126 VanDerWaalsContact O-O 3.06Å; T123-K128 HydrophobicContact CG2-CB 4.33Å; T123-L131 HydrophobicContact CG2-CD1 4.05Å
124E94.9Very high96.7Very high113 Ų11355.3 Ų55.353%0.52825%0.254SS..Hα-helixtrans-76.2-36171.3-73.7164-158.100111.6N120 H122N120-E124 PolarHBondContact ND2-OE1 3.19Å; N120-E124 VanDerWaalsContact O-CG 3.27Å; N120-E124 WeakPolarHBondContact O-CG 3.33Å; N120-E124 PolarHBondContact O-N 2.99Å; H122-E124 VanDerWaalsContact C-N 3.32Å
125Q94.7Very high96.7Very high157 Ų15755.3 Ų55.373%0.73425%0.254SS*.Hα-helixtrans-92-24.6-177.7-66.5178.30.200113.8F121 H122F121-Q125 WeakPolarHBondContact O-CG 3.26Å; F121-Q125 PolarHBondContact O-N 2.74Å; H122-Q125 PolarHBondContact O-N 2.95Å
126M94.6Very high96.7Very high52 Ų5255.5 Ų55.526%0.25626%0.255SS..SBendtrans-130.2152.1-178.3-57.3173.9-72.100111.5F102 I103 H122 T123 K128 L131F102-M126 HydrophobicContact CD2-CE 4.47Å; F102-M126 HydrophobicContact CE2-CE 3.31Å; F102-M126 HydrophobicContact CE2-SD 3.69Å; F102-M126 HydrophobicContact CZ-CE 3.77Å; F102-M126 HydrophobicContact CZ-SD 3.44Å; F102-M126 WeakPolarHBondContact CZ-SD 3.33Å; I103-M126 HydrophobicContact CG2-CE 4.37Å; H122-M126 HydrophobicContact CB-CE 3.59Å; H122-M126 WeakPolarHBondContact O-CB 3.46Å; H122-M126 VanDerWaalsContact O-CE 3.27Å; H122-M126 WeakPolarHBondContact O-CE 3.15Å; H122-M126 PolarHBondContact O-N 3.43Å; T123-M126 CarbonylContact C-O 3.59Å; T123-M126 VanDerWaalsContact O-O 3.06Å; M126-K128 PolarHBondContact O-N 3.41Å; M126-L131 HydrophobicContact CE-CD1 3.99Å; M126-L131 HydrophobicContact CE-CD2 3.56Å; M126-L131 HydrophobicContact CE-CG 4.07Å; M126-L131 HydrophobicContact SD-CD2 4.02Å
127Y96.1Very high96.6Very high172 Ų17260.2 Ų60.268%0.67528%0.277SS*.  trans-65.6121.8174.2-63.5-66000111.9H129 K130 L131Y127-H129 WeakPolarHBondContact CB-CE1 3.44Å; Y127-H129 AromaticContact CG-CE1 3.71Å; Y127-H129 PolarHBondContact O-N 3.31Å; Y127-H129 VanDerWaalsContact O-N 3.11Å; Y127-K130 WeakPolarHBondContact O-CA 3.35Å; Y127-K130 WeakPolarHBondContact O-CB 3.39Å; Y127-K130 PolarHBondContact O-N 2.9Å; Y127-L131 PolarHBondContact O-N 2.87Å
128K95.1Very high96.5Very high100 Ų10059.5 Ų59.544%0.43527%0.273SS..Hα-helixtrans-52.8-36.6178.471.9178.8-177.4179.80113.8T123 M126 K130 L131 V132T123-K128 HydrophobicContact CG2-CB 4.33Å; M126-K128 PolarHBondContact O-N 3.41Å; K128-K130 VanDerWaalsContact C-N 3.29Å; K128-K130 PolarHBondContact O-N 3.47Å; K128-L131 WeakPolarHBondContact O-CB 3.43Å; K128-L131 PolarHBondContact O-N 2.96Å; K128-V132 WeakPolarHBondContact O-CG2 3.33Å; K128-V132 PolarHBondContact O-N 3.44Å
129H95.9Very high96.4Very high102 Ų10260.1 Ų60.147%0.47228%0.275SS..Hα-helixtrans-66.8-32.1178.966.6-94.5000112Y127 V132 D133Y127-H129 WeakPolarHBondContact CB-CE1 3.44Å; Y127-H129 AromaticContact CG-CE1 3.71Å; Y127-H129 PolarHBondContact O-N 3.31Å; Y127-H129 VanDerWaalsContact O-N 3.11Å; H129-V132 PolarHBondContact O-N 3.47Å; H129-D133 WeakPolarHBondContact O-CB 3.37Å; H129-D133 PolarHBondContact O-N 3.25Å
130K97.3Very high96.1Very high123 Ų12363 Ų6354%0.53529%0.288SS..Hα-helixtrans-71.5-33.9173.3-66.2-59.8-175.4-177.40112.5Y127 K128 D133 F134Y127-K130 WeakPolarHBondContact O-CA 3.35Å; Y127-K130 WeakPolarHBondContact O-CB 3.39Å; Y127-K130 PolarHBondContact O-N 2.9Å; K128-K130 VanDerWaalsContact C-N 3.29Å; K128-K130 PolarHBondContact O-N 3.47Å; K130-D133 PolarHBondContact O-N 3.41Å; K130-F134 WeakPolarHBondContact O-CB 3.31Å; K130-F134 PolarHBondContact O-N 3.42Å
131L96.4Very high96Very high7 Ų766.2 Ų66.24%0.03730%0.303CS..Hα-helixtrans-63.8-44.1170.9-74176.1000111.8I103 I118 H122 T123 M126 Y127 K128 F134 V135I103-L131 HydrophobicContact CD1-CD2 4.08Å; I103-L131 HydrophobicContact CG2-CD2 4.28Å; I118-L131 HydrophobicContact CG2-CD1 3.87Å; H122-L131 HydrophobicContact CB-CD1 4.34Å; T123-L131 HydrophobicContact CG2-CD1 4.05Å; M126-L131 HydrophobicContact CE-CD1 3.99Å; M126-L131 HydrophobicContact CE-CD2 3.56Å; M126-L131 HydrophobicContact CE-CG 4.07Å; M126-L131 HydrophobicContact SD-CD2 4.02Å; Y127-L131 PolarHBondContact O-N 2.87Å; K128-L131 WeakPolarHBondContact O-CB 3.43Å; K128-L131 PolarHBondContact O-N 2.96Å; L131-F134 WeakPolarHBondContact O-CB 3.47Å; L131-F134 PolarHBondContact O-N 3.27Å; L131-V135 WeakPolarHBondContact O-CG2 3.47Å; L131-V135 PolarHBondContact O-N 3.12Å
132V97.8Very high95.9Very high6 Ų662.4 Ų62.44%0.03629%0.286CS..Hα-helixtrans-61-50174.4176.80000110.4R13 L16 L20 K128 H129 F134 V135 I136R13-V132 HydrophobicContact CB-CG1 4.49Å; R13-V132 HydrophobicContact CG-CG1 3.86Å; L16-V132 HydrophobicContact CB-CG1 4.29Å; L16-V132 HydrophobicContact CB-CG2 4.13Å; L20-V132 HydrophobicContact CD1-CG2 3.59Å; K128-V132 WeakPolarHBondContact O-CG2 3.33Å; K128-V132 PolarHBondContact O-N 3.44Å; H129-V132 PolarHBondContact O-N 3.47Å; V132-F134 PolarHBondContact O-N 2.85Å; V132-V135 PolarHBondContact O-N 3.34Å; V132-I136 HydrophobicContact CG1-CG1 4.42Å; V132-I136 WeakPolarHBondContact O-CG1 3.12Å; V132-I136 PolarHBondContact O-N 3.12Å
133D97.6Very high95.5Very high57 Ų5763.1 Ų63.131%0.30529%0.291SS..Hα-helixtrans-55.6-42.9177.2-73.4-23.2000111.5R13 H129 K130 I136 H137R13-D133 IonicContact CZ-OD1 3.47Å; R13-D133 IonicContact NH1-OD1 2.68Å; R13-D133 PolarHBondContact NH1-OD1 2.83Å; R13-D133 IonicContact NH2-OD1 3.35Å; R13-D133 PolarHBondContact NH2-OD1 3.49Å; H129-D133 WeakPolarHBondContact O-CB 3.37Å; H129-D133 PolarHBondContact O-N 3.25Å; K130-D133 PolarHBondContact O-N 3.41Å; D133-I136 PolarHBondContact O-N 3.16Å; D133-H137 WeakPolarHBondContact O-CB 3.21Å; D133-H137 PolarHBondContact O-N 2.87Å
134F96.6Very high95.3Very high71 Ų7166.5 Ų66.531%0.31130%0.303SS..Hα-helixtrans-60.8-48.4178.1176.5-88.4000112.3F101 I103 F116 K130 L131 V132 I136 H137 F138F101-F134 AromaticContact CE1-CE1 3.61Å; F101-F134 HydrophobicContact CE1-CE1 3.61Å; F101-F134 AromaticContact CE1-CZ 3.65Å; F101-F134 HydrophobicContact CE1-CZ 3.65Å; F101-F134 HydrophobicContact CE2-CE1 4.44Å; F101-F134 AromaticContact CE2-CZ 3.89Å; F101-F134 HydrophobicContact CE2-CZ 3.89Å; F101-F134 AromaticContact CZ-CE1 3.29Å; F101-F134 HydrophobicContact CZ-CE1 3.29Å; F101-F134 HydrophobicContact CZ-CE2 4.19Å; F101-F134 AromaticContact CZ-CZ 3.07Å; F101-F134 HydrophobicContact CZ-CZ 3.07Å; I103-F134 HydrophobicContact CD1-CD1 3.87Å; I103-F134 HydrophobicContact CD1-CE1 4.08Å; F116-F134 HydrophobicContact CE1-CE1 4.16Å; F116-F134 HydrophobicContact CZ-CE1 4.36Å; K130-F134 WeakPolarHBondContact O-CB 3.31Å; K130-F134 PolarHBondContact O-N 3.42Å; L131-F134 WeakPolarHBondContact O-CB 3.47Å; L131-F134 PolarHBondContact O-N 3.27Å; V132-F134 PolarHBondContact O-N 2.85Å; F134-I136 VanDerWaalsContact C-N 3.33Å; F134-I136 PolarHBondContact O-N 2.96Å; F134-H137 PolarHBondContact O-N 3.16Å; F134-F138 HydrophobicContact CE1-CB 4.39Å; F134-F138 WeakPolarHBondContact O-CB 3.14Å; F134-F138 PolarHBondContact O-N 3.45Å
135V96.9Very high95.4Very high1 Ų165 Ų651%0.00630%0.296CS..Hα-helixtrans-63.1-41.5179.3174.30000111L16 V72 L131 V132 F138 M139L16-V135 HydrophobicContact CD1-CB 4.03Å; L16-V135 HydrophobicContact CD1-CG1 3.7Å; V72-V135 HydrophobicContact CG1-CG1 4.35Å; L131-V135 WeakPolarHBondContact O-CG2 3.47Å; L131-V135 PolarHBondContact O-N 3.12Å; V132-V135 PolarHBondContact O-N 3.34Å; V135-F138 PolarHBondContact O-N 3.16Å; V135-M139 HydrophobicContact CG1-SD 4.44Å; V135-M139 WeakPolarHBondContact O-CG 3.48Å; V135-M139 PolarHBondContact O-N 3.45Å
136I97.4Very high95.4Very high3 Ų357.7 Ų57.72%0.01526%0.261CS..Hα-helixtrans-65.8-44.7177.1-62.4-59.5000111.1L9 V12 R13 L16 V132 D133 F134 F138 M139 E140L9-I136 HydrophobicContact CB-CG2 4.42Å; V12-I136 HydrophobicContact CB-CD1 4.13Å; V12-I136 HydrophobicContact CG1-CD1 3.87Å; R13-I136 HydrophobicContact CB-CD1 3.94Å; R13-I136 HydrophobicContact CB-CG1 4.05Å; L16-I136 HydrophobicContact CD1-CD1 4.41Å; V132-I136 HydrophobicContact CG1-CG1 4.42Å; V132-I136 WeakPolarHBondContact O-CG1 3.12Å; V132-I136 PolarHBondContact O-N 3.12Å; D133-I136 PolarHBondContact O-N 3.16Å; F134-I136 VanDerWaalsContact C-N 3.33Å; F134-I136 PolarHBondContact O-N 2.96Å; I136-F138 VanDerWaalsContact C-N 3.32Å; I136-F138 PolarHBondContact O-N 3.4Å; I136-M139 WeakPolarHBondContact O-CB 3.26Å; I136-M139 PolarHBondContact O-N 2.67Å; I136-M139 VanDerWaalsContact O-N 3.16Å; I136-E140 WeakPolarHBondContact O-CG 3.21Å; I136-E140 PolarHBondContact O-N 3.47Å
137H96.4Very high95.3Very high99 Ų9957.9 Ų57.946%0.45827%0.268SS..Hα-helixtrans-61-43176.8-179.558.8000111.5D133 F134 M139 E140 E141D133-H137 WeakPolarHBondContact O-CB 3.21Å; D133-H137 PolarHBondContact O-N 2.87Å; F134-H137 PolarHBondContact O-N 3.16Å; H137-M139 VanDerWaalsContact C-N 3.3Å; H137-M139 PolarHBondContact O-N 3.41Å; H137-E140 PolarHBondContact O-N 2.85Å; H137-E141 WeakPolarHBondContact CE1-CG 3.33Å; H137-E141 IonicContact CE1-OE1 3.75Å; H137-E141 WeakPolarHBondContact O-CG 3.38Å; H137-E141 PolarHBondContact O-N 3.39Å
138F96.3Very high95.4Very high20 Ų2055 Ų559%0.08826%0.261CS..Hα-helixtrans-56.5-44.8174177.9-88.5000111.8I74 M91 M94 I114 F116 F134 V135 I136 E140 E141 I142I74-F138 HydrophobicContact CD1-CD1 4.14Å; I74-F138 HydrophobicContact CD1-CE1 4.27Å; M91-F138 HydrophobicContact SD-CZ 4.28Å; M94-F138 HydrophobicContact CE-CE2 3.64Å; M94-F138 HydrophobicContact CE-CZ 3.61Å; M94-F138 HydrophobicContact SD-CE2 3.63Å; M94-F138 HydrophobicContact SD-CZ 4.22Å; I114-F138 HydrophobicContact CD1-CZ 3.83Å; I114-F138 HydrophobicContact CG2-CE1 3.84Å; I114-F138 HydrophobicContact CG2-CZ 4.12Å; F116-F138 AromaticContact CE2-CD1 3.9Å; F116-F138 HydrophobicContact CE2-CD1 3.9Å; F116-F138 HydrophobicContact CE2-CE1 4.08Å; F116-F138 HydrophobicContact CE2-CG 4.37Å; F116-F138 AromaticContact CZ-CD1 3.81Å; F116-F138 HydrophobicContact CZ-CD1 3.81Å; F116-F138 HydrophobicContact CZ-CD2 4.09Å; F116-F138 AromaticContact CZ-CE1 3.95Å; F116-F138 HydrophobicContact CZ-CE1 3.95Å; F116-F138 HydrophobicContact CZ-CE2 4.2Å; F116-F138 AromaticContact CZ-CG 3.89Å; F116-F138 HydrophobicContact CZ-CG 3.89Å; F116-F138 HydrophobicContact CZ-CZ 4.14Å; F134-F138 HydrophobicContact CE1-CB 4.39Å; F134-F138 WeakPolarHBondContact O-CB 3.14Å; F134-F138 PolarHBondContact O-N 3.45Å; V135-F138 PolarHBondContact O-N 3.16Å; I136-F138 VanDerWaalsContact C-N 3.32Å; I136-F138 PolarHBondContact O-N 3.4Å; F138-E140 VanDerWaalsContact C-N 3.29Å; F138-E140 PolarHBondContact O-N 3.07Å; F138-E141 PolarHBondContact O-N 3.04Å; F138-I142 HydrophobicContact CE1-CD1 3.71Å; F138-I142 HydrophobicContact CZ-CD1 3.75Å; F138-I142 WeakPolarHBondContact O-CB 3.46Å; F138-I142 WeakPolarHBondContact O-CG2 3.16Å; F138-I142 PolarHBondContact O-N 3.4Å; F138-I142 VanDerWaalsContact O-N 3.07Å
139M95.4Very high95.5Very high12 Ų1252.2 Ų52.26%0.05925%0.25CC..Hα-helixtrans-65.8-28.2176.4-69.8176.467.100113.5Y8 L9 V12 V61 I74 V135 I136 H137 I142Y8-M139 HydrophobicContact CD1-CE 4.47Å; Y8-M139 HydrophobicContact CE1-CE 3.58Å; L9-M139 HydrophobicContact CD2-CB 3.98Å; L9-M139 HydrophobicContact CD2-CE 3.83Å; L9-M139 HydrophobicContact CD2-SD 4.35Å; V12-M139 HydrophobicContact CG1-CE 4.46Å; V12-M139 HydrophobicContact CG1-SD 3.95Å; V12-M139 HydrophobicContact CG2-CE 4.29Å; V61-M139 HydrophobicContact CG2-CE 3.36Å; V61-M139 HydrophobicContact CG2-SD 3.93Å; I74-M139 HydrophobicContact CD1-CG 3.76Å; I74-M139 HydrophobicContact CD1-SD 4.24Å; I74-M139 HydrophobicContact CG1-CG 4.5Å; V135-M139 HydrophobicContact CG1-SD 4.44Å; V135-M139 WeakPolarHBondContact O-CG 3.48Å; V135-M139 PolarHBondContact O-N 3.45Å; I136-M139 WeakPolarHBondContact O-CB 3.26Å; I136-M139 PolarHBondContact O-N 2.67Å; I136-M139 VanDerWaalsContact O-N 3.16Å; H137-M139 VanDerWaalsContact C-N 3.3Å; H137-M139 PolarHBondContact O-N 3.41Å; M139-I142 WeakPolarHBondContact O-CG2 3.37Å
140E92.7Very high95.5Very high80 Ų8049.4 Ų49.437%0.37424%0.236SC..Hα-helixtrans-78.6-39177.2-73.6176.9154.600112.7L9 I136 H137 F138L9-E140 HydrophobicContact CD1-CG 3.43Å; L9-E140 VanDerWaalsContact CD1-CG 3.43Å; L9-E140 WeakPolarHBondContact CD1-OE1 3.31Å; I136-E140 WeakPolarHBondContact O-CG 3.21Å; I136-E140 PolarHBondContact O-N 3.47Å; H137-E140 PolarHBondContact O-N 2.85Å; F138-E140 VanDerWaalsContact C-N 3.29Å; F138-E140 PolarHBondContact O-N 3.07Å
141E95Very high95.5Very high69 Ų6949.1 Ų49.132%0.32224%0.24SC..Hα-helixtrans-84.4-28.5-174.7-64-52.7123.800113.1H137 F138 D143 K144 E145H137-E141 WeakPolarHBondContact CE1-CG 3.33Å; H137-E141 IonicContact CE1-OE1 3.75Å; H137-E141 WeakPolarHBondContact O-CG 3.38Å; H137-E141 PolarHBondContact O-N 3.39Å; F138-E141 PolarHBondContact O-N 3.04Å; E141-D143 VanDerWaalsContact C-N 3.3Å; E141-D143 PolarHBondContact O-N 2.95Å; E141-K144 WeakPolarHBondContact O-CB 3.45Å; E141-K144 PolarHBondContact O-N 3.24Å; E141-K144 VanDerWaalsContact O-N 3.07Å; E141-K144 IonicContact OE1-NZ 3.81Å; E141-K144 PolarHBondContact OE1-NZ 3.44Å; E141-K144 IonicContact OE2-NZ 2.71Å; E141-E145 PolarHBondContact O-N 2.84Å
142I94.1Very high95.5Very high7 Ų752.1 Ų52.14%0.03626%0.262CS..Hα-helixtrans-58-40.6-177.5-167.3164.9000113.3V76 F90 M91 F138 M139 K144 I146V76-I142 HydrophobicContact CB-CD1 4.47Å; V76-I142 HydrophobicContact CG1-CD1 4.11Å; V76-I142 HydrophobicContact CG1-CG1 4.13Å; V76-I142 HydrophobicContact CG1-CG2 4.24Å; V76-I142 HydrophobicContact CG2-CD1 3.52Å; V76-I142 HydrophobicContact CG2-CG1 4.41Å; F90-I142 HydrophobicContact CE1-CG1 4.43Å; M91-I142 HydrophobicContact CE-CD1 3.2Å; M91-I142 HydrophobicContact CE-CG1 3.73Å; M91-I142 HydrophobicContact SD-CD1 3.52Å; M91-I142 VanDerWaalsContact SD-CD1 3.52Å; F138-I142 HydrophobicContact CE1-CD1 3.71Å; F138-I142 HydrophobicContact CZ-CD1 3.75Å; F138-I142 WeakPolarHBondContact O-CB 3.46Å; F138-I142 WeakPolarHBondContact O-CG2 3.16Å; F138-I142 PolarHBondContact O-N 3.4Å; F138-I142 VanDerWaalsContact O-N 3.07Å; M139-I142 WeakPolarHBondContact O-CG2 3.37Å; I142-K144 VanDerWaalsContact C-N 3.33Å; I142-I146 HydrophobicContact CG1-CD1 4.02Å; I142-I146 VanDerWaalsContact O-CG1 3.29Å; I142-I146 WeakPolarHBondContact O-CG1 3.18Å; I142-I146 PolarHBondContact O-N 3.25Å
143D88.5Confident95.5Very high41 Ų4154.9 Ų54.922%0.21928%0.278CS..Hα-helixtrans-67.6-36.9178.8-81.8-1.7000111.3E141 S147E141-D143 VanDerWaalsContact C-N 3.3Å; E141-D143 PolarHBondContact O-N 2.95Å; D143-S147 WeakPolarHBondContact O-CB 3.33Å; D143-S147 PolarHBondContact O-N 3.33Å; D143-S147 VanDerWaalsContact O-N 3.12Å; D143-S147 PolarHBondContact O-OG 3.46Å
144K92.3Very high95.5Very high104 Ų10456.1 Ų56.145%0.45229%0.285SS..Hα-helixtrans-69-48.4177.5-61.6177.5-168.61630110.4E141 I142 I146 S147 E148E141-K144 WeakPolarHBondContact O-CB 3.45Å; E141-K144 PolarHBondContact O-N 3.24Å; E141-K144 VanDerWaalsContact O-N 3.07Å; E141-K144 IonicContact OE1-NZ 3.81Å; E141-K144 PolarHBondContact OE1-NZ 3.44Å; E141-K144 IonicContact OE2-NZ 2.71Å; I142-K144 VanDerWaalsContact C-N 3.33Å; K144-I146 VanDerWaalsContact C-N 3.34Å; K144-I146 PolarHBondContact O-N 2.78Å; K144-S147 CarbonylContact O-C 3.49Å; K144-S147 WeakPolarHBondContact O-CA 3.27Å; K144-S147 WeakPolarHBondContact O-CB 3.34Å; K144-S147 PolarHBondContact O-N 2.83Å; K144-S147 VanDerWaalsContact O-N 3.08Å; K144-E148 WeakPolarHBondContact O-CG 3.22Å; K144-E148 PolarHBondContact O-N 2.87Å
145E96Very high95.6Very high82 Ų8254.8 Ų54.838%0.38329%0.287SS..Hα-helixtrans-59.6-43.9179.9-171.164.3-149.100111.4F90 E141 S147 E148 M149F90-E145 HydrophobicContact CD1-CG 4.48Å; F90-E145 HydrophobicContact CE1-CB 4.29Å; F90-E145 HydrophobicContact CE1-CG 3.87Å; F90-E145 HydrophobicContact CE2-CG 4.32Å; F90-E145 HydrophobicContact CZ-CG 3.79Å; E141-E145 PolarHBondContact O-N 2.84Å; E145-S147 VanDerWaalsContact C-N 3.33Å; E145-S147 PolarHBondContact O-N 3.03Å; E145-E148 PolarHBondContact O-N 3.46Å; E145-M149 HydrophobicContact CG-CE 4.17Å; E145-M149 WeakPolarHBondContact O-CB 3.44Å; E145-M149 WeakPolarHBondContact O-CG 3.29Å; E145-M149 PolarHBondContact O-N 3.34Å
146I95Very high95.6Very high3 Ų363.4 Ų63.42%0.01532%0.32CS..Hα-helixtrans-62.7-42175.6-69.2167.4000111.3V76 E83 C87 I142 K144 M149 K150V76-I146 HydrophobicContact CG1-CD1 3.77Å; E83-I146 HydrophobicContact CB-CG2 4.12Å; E83-I146 HydrophobicContact CG-CG2 3.88Å; C87-I146 HydrophobicContact CB-CD1 3.77Å; I142-I146 HydrophobicContact CG1-CD1 4.02Å; I142-I146 VanDerWaalsContact O-CG1 3.29Å; I142-I146 WeakPolarHBondContact O-CG1 3.18Å; I142-I146 PolarHBondContact O-N 3.25Å; K144-I146 VanDerWaalsContact C-N 3.34Å; K144-I146 PolarHBondContact O-N 2.78Å; I146-M149 HydrophobicContact CB-CE 4.39Å; I146-M149 HydrophobicContact CG1-CE 3.93Å; I146-M149 PolarHBondContact O-N 3Å; I146-K150 WeakPolarHBondContact O-CB 3.36Å; I146-K150 PolarHBondContact O-N 3.06Å
147S93.4Very high95.6Very high57 Ų5765.9 Ų65.940%0.39934%0.341SS..Hα-helixtrans-64-42.4177.4-59.70000111.7D143 K144 E145 K150 L151D143-S147 WeakPolarHBondContact O-CB 3.33Å; D143-S147 PolarHBondContact O-N 3.33Å; D143-S147 VanDerWaalsContact O-N 3.12Å; D143-S147 PolarHBondContact O-OG 3.46Å; K144-S147 CarbonylContact O-C 3.49Å; K144-S147 WeakPolarHBondContact O-CA 3.27Å; K144-S147 WeakPolarHBondContact O-CB 3.34Å; K144-S147 PolarHBondContact O-N 2.83Å; K144-S147 VanDerWaalsContact O-N 3.08Å; E145-S147 VanDerWaalsContact C-N 3.33Å; E145-S147 PolarHBondContact O-N 3.03Å; S147-K150 WeakPolarHBondContact O-CB 3.21Å; S147-K150 PolarHBondContact O-N 2.91Å; S147-L151 WeakPolarHBondContact O-CG 3.44Å; S147-L151 PolarHBondContact O-N 3.28Å
148E96.6Very high95.7Very high110 Ų11068.9 Ų68.951%0.51435%0.348SS..Hα-helixtrans-67.1-41.4177.5-73.4-178.6-169.400112.4K144 E145 K150 L151 S152K144-E148 WeakPolarHBondContact O-CG 3.22Å; K144-E148 PolarHBondContact O-N 2.87Å; E145-E148 PolarHBondContact O-N 3.46Å; E148-K150 VanDerWaalsContact C-N 3.32Å; E148-K150 PolarHBondContact O-N 3.38Å; E148-L151 PolarHBondContact O-N 3Å; E148-S152 WeakPolarHBondContact O-CB 3.5Å; E148-S152 PolarHBondContact O-N 2.68Å; E148-S152 PolarHBondContact O-OG 3.02Å
149M96.9Very high95.8Very high42 Ų4273 Ų7321%0.20737%0.37CS..Hα-helixtrans-59.4-43.5172.8-77.1-170.8-70.900111.4L86 F90 E145 I146 S152 V153L86-M149 HydrophobicContact CB-CE 4.48Å; L86-M149 HydrophobicContact CD1-CB 4.04Å; L86-M149 HydrophobicContact CD2-CB 4.21Å; F90-M149 HydrophobicContact CB-CE 3.91Å; F90-M149 HydrophobicContact CD1-CE 4.09Å; F90-M149 HydrophobicContact CD2-CE 4.47Å; F90-M149 HydrophobicContact CG-CE 3.92Å; E145-M149 HydrophobicContact CG-CE 4.17Å; E145-M149 WeakPolarHBondContact O-CB 3.44Å; E145-M149 WeakPolarHBondContact O-CG 3.29Å; E145-M149 PolarHBondContact O-N 3.34Å; I146-M149 HydrophobicContact CB-CE 4.39Å; I146-M149 HydrophobicContact CG1-CE 3.93Å; I146-M149 PolarHBondContact O-N 3Å; M149-S152 WeakPolarHBondContact O-CB 3.43Å; M149-S152 PolarHBondContact O-N 3.28Å; M149-V153 WeakPolarHBondContact O-CG2 3.41Å; M149-V153 PolarHBondContact O-N 3.42Å
150K96.6Very high95.9Very high43 Ų4376.9 Ų76.919%0.18739%0.394CS..Hα-helixtrans-62.6-46.1177.6-174.7-172.7-169.11740112D80 I82 E83 L86 I146 S147 E148 S152 V153 N154D80-K150 IonicContact OD1-NZ 3.65Å; D80-K150 WeakPolarHBondContact OD2-CE 3.35Å; D80-K150 IonicContact OD2-NZ 2.63Å; D80-K150 PolarHBondContact OD2-NZ 2.95Å; I82-K150 HydrophobicContact CG2-CD 4.19Å; I82-K150 HydrophobicContact CG2-CG 4.07Å; E83-K150 HydrophobicContact CG-CD 3.94Å; E83-K150 IonicContact OE1-NZ 2.77Å; E83-K150 PolarHBondContact OE1-NZ 3.4Å; L86-K150 HydrophobicContact CD1-CB 3.92Å; I146-K150 WeakPolarHBondContact O-CB 3.36Å; I146-K150 PolarHBondContact O-N 3.06Å; S147-K150 WeakPolarHBondContact O-CB 3.21Å; S147-K150 PolarHBondContact O-N 2.91Å; E148-K150 VanDerWaalsContact C-N 3.32Å; E148-K150 PolarHBondContact O-N 3.38Å; K150-S152 VanDerWaalsContact C-N 3.29Å; K150-S152 PolarHBondContact O-N 2.93Å; K150-V153 PolarHBondContact O-N 3.32Å; K150-N154 PolarHBondContact O-N 2.96Å
151L97.1Very high96.2Very high118 Ų11875.5 Ų75.562%0.61840%0.397SS*.Hα-helixtrans-59.5-42.4175.4-71.1174000111.3S147 E148 N154 A155S147-L151 WeakPolarHBondContact O-CG 3.44Å; S147-L151 PolarHBondContact O-N 3.28Å; E148-L151 PolarHBondContact O-N 3Å; L151-N154 PolarHBondContact O-N 3.2Å; L151-A155 WeakPolarHBondContact O-CB 3.39Å; L151-A155 PolarHBondContact O-N 3.35Å
152S97.8Very high96.3Very high70 Ų7077 Ų7749%0.4940%0.404SS..Hα-helixtrans-62.9-42.8178.5-62.90000112.6E148 M149 K150 R156E148-S152 WeakPolarHBondContact O-CB 3.5Å; E148-S152 PolarHBondContact O-N 2.68Å; E148-S152 PolarHBondContact O-OG 3.02Å; M149-S152 WeakPolarHBondContact O-CB 3.43Å; M149-S152 PolarHBondContact O-N 3.28Å; K150-S152 VanDerWaalsContact C-N 3.29Å; K150-S152 PolarHBondContact O-N 2.93Å; S152-R156 WeakPolarHBondContact O-CB 3.41Å; S152-R156 PolarHBondContact O-N 2.9Å
153V97.4Very high96.4Very high64 Ų6481.3 Ų81.339%0.38842%0.423SS..Hα-helixtrans-62.4-47.4175.61710000110.8I82 L86 M149 K150 R156 A157I82-V153 HydrophobicContact CD1-CG1 4.49Å; L86-V153 HydrophobicContact CD2-CG2 4.46Å; M149-V153 WeakPolarHBondContact O-CG2 3.41Å; M149-V153 PolarHBondContact O-N 3.42Å; K150-V153 PolarHBondContact O-N 3.32Å; V153-R156 PolarHBondContact O-N 3.47Å; V153-A157 WeakPolarHBondContact O-CB 3.22Å; V153-A157 PolarHBondContact O-N 3.31Å
154N96.7Very high96.9Very high82 Ų8285.5 Ų85.544%0.43944%0.44SS..Hα-helixtrans-65.1-42.9-179.5-73.2-19.1000112.5K150 L151 A157 R158K150-N154 PolarHBondContact O-N 2.96Å; L151-N154 PolarHBondContact O-N 3.2Å; N154-A157 PolarHBondContact O-N 3.22Å; N154-R158 PolarHBondContact O-N 3.32Å
155A98.1Very high97.1Very high44 Ų4486.1 Ų86.136%0.36445%0.448SS..Hα-helixtrans-61.9-44.7176.800000111.1L151 R158 I159L151-A155 WeakPolarHBondContact O-CB 3.39Å; L151-A155 PolarHBondContact O-N 3.35Å; A155-R158 PolarHBondContact O-N 2.92Å; A155-I159 WeakPolarHBondContact O-CG1 3.47Å; A155-I159 PolarHBondContact O-N 3.34Å; A155-I159 VanDerWaalsContact O-N 3.15Å
156R97.9Very high97.1Very high181 Ų18188.9 Ų88.968%0.68346%0.458SS*.Hα-helixtrans-64.4-42176.8-173.4175.9-65.2163.52112.1S152 V153 R158 I159 V160S152-R156 WeakPolarHBondContact O-CB 3.41Å; S152-R156 PolarHBondContact O-N 2.9Å; V153-R156 PolarHBondContact O-N 3.47Å; R156-R158 VanDerWaalsContact C-N 3.29Å; R156-R158 PolarHBondContact O-N 3.07Å; R156-I159 PolarHBondContact O-N 3.2Å; R156-V160 HydrophobicContact CG-CG2 4.44Å; R156-V160 VanDerWaalsContact O-CG2 3.31Å; R156-V160 WeakPolarHBondContact O-CG2 3.44Å; R156-V160 PolarHBondContact O-N 2.76Å
157A97.9Very high96.8Very high56 Ų5694.8 Ų94.846%0.46349%0.49SS..Hα-helixtrans-59.8-40.5177.200000111.8V153 N154 V160 A161V153-A157 WeakPolarHBondContact O-CB 3.22Å; V153-A157 PolarHBondContact O-N 3.31Å; N154-A157 PolarHBondContact O-N 3.22Å; A157-V160 PolarHBondContact O-N 3.41Å; A157-A161 WeakPolarHBondContact O-CB 3.27Å; A157-A161 PolarHBondContact O-N 2.88Å
158R97.8Very high96.3Very high161 Ų161101.5 Ų101.561%0.60851%0.512SS*.Hα-helixtrans-61.4-49.3175.1-173.4-176.2-59.6136.82.8111.9N154 A155 R156 V160 A161 E162N154-R158 PolarHBondContact O-N 3.32Å; A155-R158 PolarHBondContact O-N 2.92Å; R156-R158 VanDerWaalsContact C-N 3.29Å; R156-R158 PolarHBondContact O-N 3.07Å; R158-V160 VanDerWaalsContact C-N 3.31Å; R158-V160 PolarHBondContact O-N 3.27Å; R158-A161 PolarHBondContact O-N 3.35Å; R158-E162 WeakPolarHBondContact CD-OE1 3.38Å; R158-E162 HydrophobicContact CG-CG 4.4Å; R158-E162 VanDerWaalsContact CG-OE1 3.29Å; R158-E162 WeakPolarHBondContact CG-OE1 3.44Å; R158-E162 WeakPolarHBondContact O-CG 3.27Å; R158-E162 PolarHBondContact O-N 3.14Å
159I97.9Very high96.3Very high107 Ų107101.1 Ų101.155%0.54951%0.512SS..Hα-helixtrans-58.7-44.8178.9-65.9165.9000110.7A155 R156 A161 E162 E163A155-I159 WeakPolarHBondContact O-CG1 3.47Å; A155-I159 PolarHBondContact O-N 3.34Å; A155-I159 VanDerWaalsContact O-N 3.15Å; R156-I159 PolarHBondContact O-N 3.2Å; I159-A161 VanDerWaalsContact C-N 3.34Å; I159-A161 PolarHBondContact O-N 3.11Å; I159-E162 PolarHBondContact O-N 2.86Å; I159-E163 VanDerWaalsContact O-CB 3.31Å; I159-E163 WeakPolarHBondContact O-CB 3.47Å; I159-E163 PolarHBondContact O-N 3.14Å
160V98.3Very high96.2Very high93 Ų93104.2 Ų104.256%0.56453%0.528SS*.Hα-helixtrans-62-42.7178.4171.50000111.3R156 A157 R158 F164R156-V160 HydrophobicContact CG-CG2 4.44Å; R156-V160 VanDerWaalsContact O-CG2 3.31Å; R156-V160 WeakPolarHBondContact O-CG2 3.44Å; R156-V160 PolarHBondContact O-N 2.76Å; A157-V160 PolarHBondContact O-N 3.41Å; R158-V160 VanDerWaalsContact C-N 3.31Å; R158-V160 PolarHBondContact O-N 3.27Å; V160-F164 WeakPolarHBondContact O-CB 3.38Å; V160-F164 PolarHBondContact O-N 3.42Å
161A98.1Very high96.2Very high52 Ų52107.6 Ų107.643%0.4355%0.547SS..Hα-helixtrans-66.7-45.3178.400000112.4A157 R158 I159 E163 F164 L165A157-A161 WeakPolarHBondContact O-CB 3.27Å; A157-A161 PolarHBondContact O-N 2.88Å; R158-A161 PolarHBondContact O-N 3.35Å; I159-A161 VanDerWaalsContact C-N 3.34Å; I159-A161 PolarHBondContact O-N 3.11Å; A161-E163 VanDerWaalsContact C-N 3.35Å; A161-E163 PolarHBondContact O-N 3.43Å; A161-F164 PolarHBondContact O-N 3.3Å; A161-L165 VanDerWaalsContact O-CG 3.32Å; A161-L165 WeakPolarHBondContact O-CG 3.4Å; A161-L165 PolarHBondContact O-N 2.85Å
162E97.6Very high96.2Very high101 Ų101107 Ų10747%0.47254%0.543SS..Hα-helixtrans-60.2-45176.3-73.8173.5-169.800111.4R158 I159 L165 K166R158-E162 WeakPolarHBondContact CD-OE1 3.38Å; R158-E162 HydrophobicContact CG-CG 4.4Å; R158-E162 VanDerWaalsContact CG-OE1 3.29Å; R158-E162 WeakPolarHBondContact CG-OE1 3.44Å; R158-E162 WeakPolarHBondContact O-CG 3.27Å; R158-E162 PolarHBondContact O-N 3.14Å; I159-E162 PolarHBondContact O-N 2.86Å; E162-L165 PolarHBondContact O-N 3.26Å; E162-K166 WeakPolarHBondContact O-CG 3.47Å; E162-K166 PolarHBondContact O-N 2.88Å; E162-K166 VanDerWaalsContact O-N 3.12Å
163E97.6Very high96.1Very high96 Ų96109.3 Ų109.345%0.44955%0.547SS..Hα-helixtrans-67.5-38.8-179.6-165.161.2-160.200112.3I159 A161 K166 N167I159-E163 VanDerWaalsContact O-CB 3.31Å; I159-E163 WeakPolarHBondContact O-CB 3.47Å; I159-E163 PolarHBondContact O-N 3.14Å; A161-E163 VanDerWaalsContact C-N 3.35Å; A161-E163 PolarHBondContact O-N 3.43Å; E163-K166 PolarHBondContact O-N 2.9Å; E163-K166 IonicContact OE2-NZ 2.75Å; E163-K166 PolarHBondContact OE2-NZ 3.23Å; E163-N167 PolarHBondContact O-ND2 3.44Å
164F97.1Very high96Very high130 Ų130112.3 Ų112.357%0.5756%0.557SS**Hα-helixtrans-61.9-44.2174.4-176.3-102.4000111.5V160 A161 K166 N167 F168V160-F164 WeakPolarHBondContact O-CB 3.38Å; V160-F164 PolarHBondContact O-N 3.42Å; A161-F164 PolarHBondContact O-N 3.3Å; F164-K166 PolarHBondContact O-N 2.83Å; F164-N167 PolarHBondContact O-N 2.91Å; F164-F168 HydrophobicContact CD1-CD2 4.42Å; F164-F168 AromaticContact CD1-CE2 3.83Å; F164-F168 HydrophobicContact CD1-CE2 3.83Å; F164-F168 HydrophobicContact CD2-CE2 4.39Å; F164-F168 HydrophobicContact CE1-CD2 4.23Å; F164-F168 AromaticContact CE1-CE2 3.33Å; F164-F168 HydrophobicContact CE1-CE2 3.33Å; F164-F168 AromaticContact CE1-CZ 3.91Å; F164-F168 HydrophobicContact CE1-CZ 3.91Å; F164-F168 AromaticContact CE2-CE2 3.95Å; F164-F168 HydrophobicContact CE2-CE2 3.95Å; F164-F168 HydrophobicContact CE2-CZ 4.38Å; F164-F168 HydrophobicContact CG-CE2 4.35Å; F164-F168 AromaticContact CZ-CE2 3.41Å; F164-F168 HydrophobicContact CZ-CE2 3.41Å; F164-F168 VanDerWaalsContact CZ-CE2 3.41Å; F164-F168 AromaticContact CZ-CZ 3.68Å; F164-F168 HydrophobicContact CZ-CZ 3.68Å; F164-F168 WeakPolarHBondContact O-CD2 3.41Å
165L97.1Very high95.9Very high117 Ų117114.5 Ų114.561%0.61357%0.566SS**Hα-helixtrans-70.9-25.5-178-71173.4000114.2A161 E162 N167 F168A161-L165 VanDerWaalsContact O-CG 3.32Å; A161-L165 WeakPolarHBondContact O-CG 3.4Å; A161-L165 PolarHBondContact O-N 2.85Å; E162-L165 PolarHBondContact O-N 3.26Å; L165-N167 PolarHBondContact O-N 3.07Å; L165-F168 PolarHBondContact O-N 3.22Å
166K95.9Very high95.7Very high140 Ų140119.9 Ų119.961%0.60958%0.581SS**THydrogen-bonded Turntrans-62.4-19.6173.4-73.6172.8-164.5166.10113.8E162 E163 F164E162-K166 WeakPolarHBondContact O-CG 3.47Å; E162-K166 PolarHBondContact O-N 2.88Å; E162-K166 VanDerWaalsContact O-N 3.12Å; E163-K166 PolarHBondContact O-N 2.9Å; E163-K166 IonicContact OE2-NZ 2.75Å; E163-K166 PolarHBondContact OE2-NZ 3.23Å; F164-K166 PolarHBondContact O-N 2.83Å
167N89.1Confident95.6Very high126 Ų126114.8 Ų114.867%0.67457%0.573SS**THydrogen-bonded Turntrans-94.68.2-177.4-66.5-68.9000113.2E163 F164 L165E163-N167 PolarHBondContact O-ND2 3.44Å; F164-N167 PolarHBondContact O-N 2.91Å; L165-N167 PolarHBondContact O-N 3.07Å
168F82.6Confident95.4Very high199 Ų199120.2 Ų120.287%0.87358%0.583SS**  trans-118.20172.2-69.1-88.5000110F164 L165F164-F168 HydrophobicContact CD1-CD2 4.42Å; F164-F168 AromaticContact CD1-CE2 3.83Å; F164-F168 HydrophobicContact CD1-CE2 3.83Å; F164-F168 HydrophobicContact CD2-CE2 4.39Å; F164-F168 HydrophobicContact CE1-CD2 4.23Å; F164-F168 AromaticContact CE1-CE2 3.33Å; F164-F168 HydrophobicContact CE1-CE2 3.33Å; F164-F168 AromaticContact CE1-CZ 3.91Å; F164-F168 HydrophobicContact CE1-CZ 3.91Å; F164-F168 AromaticContact CE2-CE2 3.95Å; F164-F168 HydrophobicContact CE2-CE2 3.95Å; F164-F168 HydrophobicContact CE2-CZ 4.38Å; F164-F168 HydrophobicContact CG-CE2 4.35Å; F164-F168 AromaticContact CZ-CE2 3.41Å; F164-F168 HydrophobicContact CZ-CE2 3.41Å; F164-F168 VanDerWaalsContact CZ-CE2 3.41Å; F164-F168 AromaticContact CZ-CZ 3.68Å; F164-F168 HydrophobicContact CZ-CZ 3.68Å; F164-F168 WeakPolarHBondContact O-CD2 3.41Å; L165-F168 PolarHBondContact O-N 3.22Å

Retrieved 168 of 168 residues in 55.6 ms (Link to these results)

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