A0A087XEU7_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 (A0A673ZQS8), UniProt , Accession A0A087XEU7, 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
1M51.7Low87.4Confident207 Ų20787.7 Ų87.7100%1.0249%0.487SS*.  0-0.30-99.2-173.3-90.900114.6R55M1-R55 PolarHBondContact O-NH2 3.2Å
2T62.4Low88.4Confident128 Ų12880.4 Ų80.479%0.78545%0.446SS*.  trans-77.9-24.8175.940.80000114T4 L5T2-T4 PolarHBondContact O-N 3.26Å; T2-T4 VanDerWaalsContact O-N 3.17Å; T2-L5 PolarHBondContact O-N 3.04Å
3A80.3Confident89.1Confident84 Ų8480 Ų8069%0.69443%0.434SS*.THydrogen-bonded Turntrans-62.2-24.7-17500000114.8P7A3-P7 VanDerWaalsContact O-CD 3.23Å; A3-P7 WeakPolarHBondContact O-CD 3.34Å
4T93Very high89.8Confident74 Ų7478.5 Ų78.545%0.45444%0.438SS..THydrogen-bonded Turntrans-94.4-12.8-176.9610000114.4T2 Y8 R55T2-T4 PolarHBondContact O-N 3.26Å; T2-T4 VanDerWaalsContact O-N 3.17Å; T4-Y8 WeakPolarHBondContact O-CB 3.46Å; T4-Y8 PolarHBondContact O-N 2.85Å; T4-R55 PolarHBondContact OG1-NE 3.33Å; T4-R55 VanDerWaalsContact OG1-NE 3.08Å
5L92.4Very high90.4Very high55 Ų5575.9 Ų75.929%0.28843%0.425SS..Hα-helixtrans-66.7-48.9-178.6-179.659.8000111.2T2 Y8 L9T2-L5 PolarHBondContact O-N 3.04Å; L5-Y8 HydrophobicContact CD1-CD1 4.42Å; L5-Y8 WeakPolarHBondContact O-CB 3.37Å; L5-Y8 PolarHBondContact O-N 3.32Å; L5-L9 HydrophobicContact CD1-CD1 3.88Å; L5-L9 HydrophobicContact CD1-CD2 4.41Å; L5-L9 HydrophobicContact CD1-CG 3.96Å; L5-L9 HydrophobicContact CG-CD1 3.86Å; L5-L9 HydrophobicContact CG-CG 4.31Å; L5-L9 WeakPolarHBondContact O-CG 3.32Å; L5-L9 PolarHBondContact O-N 3.41Å
6R94.7Very high90.9Very high191 Ų19171.1 Ų71.172%0.72140%0.398SS*.Hα-helixtrans-63.5-45.6-177.1-174.4171.6-174.3165.50.4113Y8 L9 N10R6-Y8 VanDerWaalsContact C-N 3.32Å; R6-Y8 PolarHBondContact O-N 3.49Å; R6-L9 PolarHBondContact O-N 3.1Å; R6-N10 WeakPolarHBondContact O-CB 3.44Å; R6-N10 PolarHBondContact O-N 3.5Å; R6-N10 PolarHBondContact O-ND2 3.38Å
7P96.9Very high91.3Very high77 Ų7774.1 Ų74.150%0.541%0.408SS..Hα-helixtrans-58.2-41.3171.8-26.234.9000113.4A3 N10 A11A3-P7 VanDerWaalsContact O-CD 3.23Å; A3-P7 WeakPolarHBondContact O-CD 3.34Å; P7-N10 PolarHBondContact O-N 3.4Å; P7-A11 PolarHBondContact O-N 3.18Å
8Y97.3Very high91.6Very high16 Ų1673.9 Ų73.96%0.06342%0.418CS..Hα-helixtrans-61.7-50.5177.5169.6-118.8000112.1T4 L5 R6 N10 A11 V12 I53 R55 K60 V61 M139T4-Y8 WeakPolarHBondContact O-CB 3.46Å; T4-Y8 PolarHBondContact O-N 2.85Å; L5-Y8 HydrophobicContact CD1-CD1 4.42Å; L5-Y8 WeakPolarHBondContact O-CB 3.37Å; L5-Y8 PolarHBondContact O-N 3.32Å; R6-Y8 VanDerWaalsContact C-N 3.32Å; R6-Y8 PolarHBondContact O-N 3.49Å; Y8-N10 VanDerWaalsContact C-N 3.32Å; Y8-N10 PolarHBondContact O-N 3.5Å; Y8-A11 WeakPolarHBondContact O-CB 3.31Å; Y8-A11 PolarHBondContact O-N 3.27Å; Y8-V12 HydrophobicContact CD2-CG2 4.27Å; Y8-V12 HydrophobicContact CE2-CG2 3.99Å; Y8-V12 WeakPolarHBondContact O-CG2 3.49Å; Y8-V12 PolarHBondContact O-N 3.39Å; Y8-I53 HydrophobicContact CD2-CG2 3.83Å; Y8-I53 HydrophobicContact CE2-CB 4.46Å; Y8-I53 HydrophobicContact CE2-CG2 3.89Å; Y8-I53 WeakPolarHBondContact CE2-O 3.45Å; Y8-R55 HydrophobicContact CD1-CB 4Å; Y8-R55 HydrophobicContact CD1-CG 4.32Å; Y8-R55 HydrophobicContact CD2-CB 3.78Å; Y8-R55 HydrophobicContact CE1-CB 4.22Å; Y8-R55 HydrophobicContact CE2-CB 4.03Å; Y8-R55 HydrophobicContact CG-CB 3.74Å; Y8-R55 HydrophobicContact CG-CG 4.08Å; Y8-K60 WeakPolarHBondContact OH-CA 3.38Å; Y8-V61 WeakPolarHBondContact OH-CG2 3.34Å; Y8-V61 PolarHBondContact OH-N 3.35Å; Y8-M139 HydrophobicContact CD1-CE 4.47Å; Y8-M139 HydrophobicContact CE1-CE 3.57Å
9L97Very high91.9Very high6 Ų670.8 Ų70.83%0.03140%0.403CS..Hα-helixtrans-64.5-35.9178.1-64.6176.7000112.3L5 R6 V12 R13 I136 M139 E140L5-L9 HydrophobicContact CD1-CD1 3.88Å; L5-L9 HydrophobicContact CD1-CD2 4.41Å; L5-L9 HydrophobicContact CD1-CG 3.96Å; L5-L9 HydrophobicContact CG-CD1 3.86Å; L5-L9 HydrophobicContact CG-CG 4.31Å; L5-L9 WeakPolarHBondContact O-CG 3.32Å; L5-L9 PolarHBondContact O-N 3.41Å; R6-L9 PolarHBondContact O-N 3.1Å; L9-V12 PolarHBondContact O-N 3.35Å; L9-R13 WeakPolarHBondContact O-CB 3.39Å; L9-R13 PolarHBondContact O-N 3.4Å; L9-I136 HydrophobicContact CB-CG2 4.4Å; L9-M139 HydrophobicContact CD2-CB 3.95Å; L9-M139 HydrophobicContact CD2-CE 3.82Å; L9-M139 HydrophobicContact CD2-SD 4.31Å; L9-E140 HydrophobicContact CD1-CG 3.43Å; L9-E140 VanDerWaalsContact CD1-CG 3.43Å; L9-E140 WeakPolarHBondContact CD1-OE1 3.41Å
10N97.9Very high92.2Very high85 Ų8567.5 Ų67.546%0.45538%0.384SS..Hα-helixtrans-63.8-41.7174.2-74.3-10.9000112R6 P7 Y8 R13 A14R6-N10 WeakPolarHBondContact O-CB 3.44Å; R6-N10 PolarHBondContact O-N 3.5Å; R6-N10 PolarHBondContact O-ND2 3.38Å; P7-N10 PolarHBondContact O-N 3.4Å; Y8-N10 VanDerWaalsContact C-N 3.32Å; Y8-N10 PolarHBondContact O-N 3.5Å; N10-R13 PolarHBondContact O-N 3.1Å; N10-A14 WeakPolarHBondContact O-CB 3.47Å; N10-A14 PolarHBondContact O-N 2.9Å
11A98.3Very high92.4Very high42 Ų4268.3 Ų68.335%0.34739%0.393SS..Hα-helixtrans-63.2-48175.600000110.9P7 Y8 R13 A14 T15 I53P7-A11 PolarHBondContact O-N 3.18Å; Y8-A11 WeakPolarHBondContact O-CB 3.31Å; Y8-A11 PolarHBondContact O-N 3.27Å; A11-R13 VanDerWaalsContact C-N 3.34Å; A11-R13 PolarHBondContact O-N 3.18Å; A11-A14 PolarHBondContact O-N 3.39Å; A11-T15 PolarHBondContact O-N 2.9Å; A11-T15 PolarHBondContact O-OG1 2.99Å; A11-T15 VanDerWaalsContact O-OG1 3.06Å; A11-I53 HydrophobicContact CB-CG2 4.06Å
12V98.4Very high94.6Very high0 Ų059.5 Ų59.50%035%0.35CS..Hα-helixtrans-58.7-45.7176.2176.10000111.1Y8 L9 A14 T15 L16 I53 V61 I136 M139Y8-V12 HydrophobicContact CD2-CG2 4.27Å; Y8-V12 HydrophobicContact CE2-CG2 3.99Å; Y8-V12 WeakPolarHBondContact O-CG2 3.49Å; Y8-V12 PolarHBondContact O-N 3.39Å; L9-V12 PolarHBondContact O-N 3.35Å; V12-A14 PolarHBondContact O-N 3.08Å; V12-T15 PolarHBondContact O-N 3Å; V12-L16 HydrophobicContact CG1-CD1 3.82Å; V12-L16 HydrophobicContact CG1-CG 4.2Å; V12-L16 WeakPolarHBondContact O-CB 3.32Å; V12-L16 VanDerWaalsContact O-CG 3.28Å; V12-L16 WeakPolarHBondContact O-CG 3.32Å; V12-L16 PolarHBondContact O-N 2.94Å; V12-I53 HydrophobicContact CB-CD1 4.34Å; V12-I53 HydrophobicContact CG2-CB 4.13Å; V12-I53 HydrophobicContact CG2-CD1 3.91Å; V12-I53 HydrophobicContact CG2-CG2 3.94Å; V12-V61 HydrophobicContact CG1-CG2 4.38Å; V12-V61 HydrophobicContact CG2-CB 4.32Å; V12-V61 HydrophobicContact CG2-CG2 4.01Å; V12-I136 HydrophobicContact CB-CD1 4.16Å; V12-I136 HydrophobicContact CG1-CD1 3.89Å; V12-M139 HydrophobicContact CG1-CE 4.46Å; V12-M139 HydrophobicContact CG1-SD 3.94Å; V12-M139 HydrophobicContact CG2-CE 4.29Å
13R98.6Very high96.2Very high75 Ų7559.9 Ų59.928%0.28334%0.343SS..Hα-helixtrans-57.8-49.4177.5175.8178.8-71.3-81.43.5112.1L9 N10 A11 T15 L16 Q17 V132 D133 I136L9-R13 WeakPolarHBondContact O-CB 3.39Å; L9-R13 PolarHBondContact O-N 3.4Å; N10-R13 PolarHBondContact O-N 3.1Å; A11-R13 VanDerWaalsContact C-N 3.34Å; A11-R13 PolarHBondContact O-N 3.18Å; R13-T15 VanDerWaalsContact C-N 3.34Å; R13-T15 PolarHBondContact O-N 3.44Å; R13-L16 PolarHBondContact O-N 3.44Å; R13-Q17 WeakPolarHBondContact O-CB 3.41Å; R13-Q17 PolarHBondContact O-N 2.84Å; R13-V132 HydrophobicContact CB-CG1 4.49Å; R13-V132 HydrophobicContact CG-CG1 3.87Å; R13-D133 IonicContact CZ-OD1 3.43Å; R13-D133 IonicContact NH1-OD1 2.67Å; R13-D133 PolarHBondContact NH1-OD1 2.84Å; R13-D133 IonicContact NH2-OD1 3.28Å; R13-D133 PolarHBondContact NH2-OD1 3.44Å; R13-I136 HydrophobicContact CB-CD1 3.94Å; R13-I136 HydrophobicContact CB-CG1 4.05Å
14A98.5Very high97Very high59 Ų5960.2 Ų60.249%0.48833%0.333SS..Hα-helixtrans-62.4-42.7179.800000111.4N10 A11 V12 Q17 A18N10-A14 WeakPolarHBondContact O-CB 3.47Å; N10-A14 PolarHBondContact O-N 2.9Å; A11-A14 PolarHBondContact O-N 3.39Å; V12-A14 PolarHBondContact O-N 3.08Å; A14-Q17 PolarHBondContact O-N 2.99Å; A14-A18 PolarHBondContact O-N 3.43Å
15T98.5Very high97.2Very high39 Ų3958.9 Ų58.924%0.23932%0.32CS..Hα-helixtrans-67-40.2177.3-550000112.2A11 V12 R13 A18 A19 V51 I53 I63A11-T15 PolarHBondContact O-N 2.9Å; A11-T15 PolarHBondContact O-OG1 2.99Å; A11-T15 VanDerWaalsContact O-OG1 3.06Å; V12-T15 PolarHBondContact O-N 3Å; R13-T15 VanDerWaalsContact C-N 3.34Å; R13-T15 PolarHBondContact O-N 3.44Å; T15-A18 PolarHBondContact O-N 3.47Å; T15-A19 VanDerWaalsContact O-CB 3.32Å; T15-A19 WeakPolarHBondContact O-CB 3.21Å; T15-A19 PolarHBondContact O-N 3Å; T15-V51 HydrophobicContact CG2-CG1 4.46Å; T15-I53 HydrophobicContact CG2-CD1 4.16Å; T15-I53 WeakPolarHBondContact OG1-CD1 3.21Å; T15-I63 HydrophobicContact CG2-CD1 3.62Å
16L98.1Very high97.3Very high0 Ų060.6 Ų60.60%034%0.337CS..Hα-helixtrans-64-40.5174.6-72.3173.3000111.9V12 R13 A18 A19 L20 I63 V72 V132 V135 I136V12-L16 HydrophobicContact CG1-CD1 3.82Å; V12-L16 HydrophobicContact CG1-CG 4.2Å; V12-L16 WeakPolarHBondContact O-CB 3.32Å; V12-L16 VanDerWaalsContact O-CG 3.28Å; V12-L16 WeakPolarHBondContact O-CG 3.32Å; V12-L16 PolarHBondContact O-N 2.94Å; R13-L16 PolarHBondContact O-N 3.44Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 3.49Å; L16-A19 PolarHBondContact O-N 2.78Å; L16-L20 WeakPolarHBondContact O-CB 3.49Å; L16-L20 WeakPolarHBondContact O-CG 3.16Å; L16-L20 PolarHBondContact O-N 2.77Å; L16-I63 HydrophobicContact CD2-CD1 3.79Å; L16-I63 HydrophobicContact CD2-CG1 4.22Å; L16-I63 HydrophobicContact CG-CD1 3.96Å; L16-V72 HydrophobicContact CD2-CG1 4.2Å; L16-V72 HydrophobicContact CD2-CG2 3.52Å; L16-V132 HydrophobicContact CB-CG1 4.3Å; L16-V132 HydrophobicContact CB-CG2 4.14Å; L16-V135 HydrophobicContact CD1-CB 4.03Å; L16-V135 HydrophobicContact CD1-CG1 3.7Å; L16-I136 HydrophobicContact CD1-CD1 4.41Å
17Q97.8Very high97.4Very high121 Ų12152.4 Ų52.457%0.56531%0.309SS*.Hα-helixtrans-62.9-36.4176.3-178.3172.6-17.500112.1R13 A14R13-Q17 WeakPolarHBondContact O-CB 3.41Å; R13-Q17 PolarHBondContact O-N 2.84Å; A14-Q17 PolarHBondContact O-N 2.99Å
18A97.7Very high97.2Very high72 Ų7254.2 Ų54.260%0.59531%0.311SS*.Hα-helixtrans-73.2-38.1174.500000112.6A14 T15 L16A14-A18 PolarHBondContact O-N 3.43Å; T15-A18 PolarHBondContact O-N 3.47Å; L16-A18 VanDerWaalsContact C-N 3.28Å; L16-A18 PolarHBondContact O-N 3.49Å
19A97.4Very high97Very high15 Ų1557.8 Ų57.812%0.12433%0.334CS..Hα-helixtrans-75.1-32.9-177.800000113.3T15 L16 C21 I63 V70T15-A19 VanDerWaalsContact O-CB 3.32Å; T15-A19 WeakPolarHBondContact O-CB 3.21Å; T15-A19 PolarHBondContact O-N 3Å; L16-A19 PolarHBondContact O-N 2.78Å; A19-C21 PolarHBondContact O-N 3.34Å; A19-I63 HydrophobicContact CB-CG2 4Å; A19-V70 HydrophobicContact CB-CG1 4.19Å; A19-V70 HydrophobicContact CB-CG2 4.09Å; A19-V70 VanDerWaalsContact O-CG2 3.25Å; A19-V70 WeakPolarHBondContact O-CG2 3.4Å
20L96.7Very high96.8Very high4 Ų460.1 Ų60.12%0.02135%0.349CS..  trans-80.945.5-179.3-68.7172.2000113.2L16 L22 V70 I118 V132L16-L20 WeakPolarHBondContact O-CB 3.49Å; L16-L20 WeakPolarHBondContact O-CG 3.16Å; L16-L20 PolarHBondContact O-N 2.77Å; L20-L22 HydrophobicContact CD2-CD1 4.23Å; L20-V70 HydrophobicContact CD2-CB 4.1Å; L20-V70 HydrophobicContact CD2-CG2 3.84Å; L20-V70 HydrophobicContact CG-CG2 4.49Å; L20-I118 HydrophobicContact CD1-CD1 4.3Å; L20-I118 HydrophobicContact CD2-CB 3.94Å; L20-I118 HydrophobicContact CD2-CD1 3.97Å; L20-I118 HydrophobicContact CD2-CG2 3.58Å; L20-V132 HydrophobicContact CD1-CG2 3.6Å
21C96.5Very high96.5Very high85 Ų8563.1 Ų63.157%0.57436%0.36SS*.  trans-105.670.3169-67.20000107.9A19A19-C21 PolarHBondContact O-N 3.34Å
22L97.8Very high96.2Very high22 Ų2272 Ų7212%0.11539%0.385CS..  trans-97144-171.8-59.2-177.5000111.6L20 S66 I67 V70 I118 N120 T123L20-L22 HydrophobicContact CD2-CD1 4.23Å; L22-S66 WeakPolarHBondContact CD2-O 3.45Å; L22-I67 WeakPolarHBondContact CA-O 3.39Å; L22-V70 HydrophobicContact CD1-CG2 4.39Å; L22-V70 HydrophobicContact CD2-CG2 3.8Å; L22-V70 HydrophobicContact CG-CG2 4.38Å; L22-I118 HydrophobicContact CD1-CG2 4.34Å; L22-N120 HydrophobicContact CB-CB 4.22Å; L22-T123 HydrophobicContact CD1-CG2 4.35Å
23E96.7Very high96Very high136 Ų13676.2 Ų76.264%0.63640%0.404SS*.  trans-126.3150.9175.1-66.3-178.5-159.700110.6F25 I67 N68E23-F25 PolarHBondContact O-N 3.48Å; E23-I67 PolarHBondContact N-O 3.36Å; E23-N68 WeakPolarHBondContact O-CA 3.38Å; E23-N68 WeakPolarHBondContact O-CB 3.38Å
24N96.9Very high95.8Very high91 Ų9175.3 Ų75.349%0.48741%0.405SS..  trans-68.5122174.1-169.1-7.6000109.6N34 N120N24-N34 PolarHBondContact OD1-ND2 3.04Å; N24-N120 WeakPolarHBondContact CB-ND2 3.37Å
25F96.9Very high95.7Very high45 Ų4576 Ų7620%0.19740%0.397CS..  trans-134.4119.6-173.5-165-92.7000111.5E23 Q28 N34 L46 I67 N68E23-F25 PolarHBondContact O-N 3.48Å; F25-Q28 HydrophobicContact CE1-CG 4.05Å; 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 3.32Å; F25-L46 HydrophobicContact CE1-CD2 3.96Å; F25-L46 HydrophobicContact CE1-CG 4.3Å; F25-L46 HydrophobicContact CE2-CD2 4.26Å; F25-L46 HydrophobicContact CZ-CD1 3.92Å; F25-L46 HydrophobicContact CZ-CD2 3.67Å; F25-L46 HydrophobicContact CZ-CG 4.47Å; F25-I67 HydrophobicContact CB-CG1 4.43Å; F25-I67 HydrophobicContact CB-CG2 3.87Å; F25-I67 HydrophobicContact CD1-CG2 3.98Å; F25-I67 HydrophobicContact CD2-CD1 3.41Å; F25-I67 VanDerWaalsContact CD2-CD1 3.41Å; F25-I67 HydrophobicContact CD2-CG1 4.06Å; F25-I67 HydrophobicContact CD2-CG2 4.14Å; F25-I67 HydrophobicContact CE2-CD1 3.66Å; F25-I67 HydrophobicContact CG-CD1 4.15Å; F25-I67 HydrophobicContact CG-CG1 4.37Å; F25-I67 HydrophobicContact CG-CG2 3.73Å; F25-N68 HydrophobicContact CB-CB 3.94Å
26S95.8Very high95.6Very high91 Ų9175.9 Ų75.964%0.63640%0.397SS*.  trans-73142.2175.7-63.30000111.2Q28S26-Q28 PolarHBondContact O-N 2.63Å
27S95Very high95.6Very high19 Ų1976 Ų7613%0.13340%0.397CS..  trans-62.5133.2179.2-172.10000111.4V29 V30 H33S27-V29 PolarHBondContact OG-N 2.98Å; S27-V30 PolarHBondContact OG-N 2.77Å; S27-H33 WeakPolarHBondContact CB-O 3.01Å; S27-H33 PolarHBondContact N-O 2.91Å
28Q93.4Very high95.6Very high115 Ų11570.3 Ų70.354%0.53737%0.371SS..SBendtrans-81.4-15.8174-68.3176.4-14.100113.3F25 S26 S43 E45F25-Q28 HydrophobicContact CE1-CG 4.05Å; F25-Q28 HydrophobicContact CZ-CG 4.24Å; S26-Q28 PolarHBondContact O-N 2.63Å; Q28-S43 PolarHBondContact OE1-OG 3.41Å; Q28-E45 PolarHBondContact OE1-OE1 3.19Å
29V93Very high95.6Very high92 Ų9269.9 Ų69.956%0.55836%0.357SS*.SBendtrans-100-35.6-171.9-178.80000112S27S27-V29 PolarHBondContact OG-N 2.98Å
30V93.3Very high95.5Very high55 Ų5572.4 Ų72.433%0.33337%0.37SS..SBendtrans-126120.5-176.8-170.20000109.5S27 R32 H33S27-V30 PolarHBondContact OG-N 2.77Å; V30-R32 PolarHBondContact O-N 3Å; V30-H33 HydrophobicContact CB-CB 4.07Å; V30-H33 HydrophobicContact CG1-CB 4.27Å; V30-H33 WeakPolarHBondContact CG1-CD2 3.29Å; V30-H33 PolarHBondContact O-N 2.93Å
31E91.9Very high95.4Very high148 Ų14878.7 Ų78.769%0.69239%0.394SS*.THydrogen-bonded Turntrans-57.3134.8-178.7-157.5-156.6136.200111.2H33E31-H33 PolarHBondContact O-CD2 3.33Å; E31-H33 PolarHBondContact O-N 3.29Å; E31-H33 VanDerWaalsContact O-N 3.15Å
32R91.9Very high95.3Very high229 Ų22977.4 Ų77.486%0.86439%0.386SS*.THydrogen-bonded Turntrans62.115.1177.7-48.5-179.1-173.3-163-5.1115.4V30V30-R32 PolarHBondContact O-N 3Å
33H93.9Very high95.2Very high87 Ų8776.7 Ų76.740%0.40338%0.383SS..  trans-97.1147.8170.6-79.4-113.2000111.5S27 V30 E31 K35S27-H33 WeakPolarHBondContact CB-O 3.01Å; S27-H33 PolarHBondContact N-O 2.91Å; V30-H33 HydrophobicContact CB-CB 4.07Å; V30-H33 HydrophobicContact CG1-CB 4.27Å; V30-H33 WeakPolarHBondContact CG1-CD2 3.29Å; V30-H33 PolarHBondContact O-N 2.93Å; E31-H33 PolarHBondContact O-CD2 3.33Å; E31-H33 PolarHBondContact O-N 3.29Å; E31-H33 VanDerWaalsContact O-N 3.15Å; H33-K35 HydrophobicContact CB-CG 4.49Å; H33-K35 VanDerWaalsContact ND1-CE 3.27Å; H33-K35 WeakPolarHBondContact ND1-CE 3.45Å
34N94.5Very high95.1Very high56 Ų5678.7 Ų78.730%0.29939%0.389SS..  trans-129.8112.1166.7-173.6-26.9000107.1N24 F25N24-N34 PolarHBondContact OD1-ND2 3.04Å; F25-N34 PolarHBondContact O-OD1 3.35Å
35K95.6Very high95.1Very high73 Ų7380.5 Ų80.532%0.31740%0.395SS..  trans-128147.6-175-64-177.3-175.71760109H33 E37 V40 N68H33-K35 HydrophobicContact CB-CG 4.49Å; H33-K35 VanDerWaalsContact ND1-CE 3.27Å; H33-K35 WeakPolarHBondContact ND1-CE 3.45Å; K35-E37 PolarHBondContact O-N 3.48Å; K35-V40 HydrophobicContact CB-CG2 3.68Å; K35-V40 HydrophobicContact CD-CG2 3.83Å; K35-V40 HydrophobicContact CG-CG2 4.39Å; K35-N68 PolarHBondContact O-ND2 2.89Å
36P97.4Very high95.1Very high38 Ų3879.1 Ų79.125%0.24739%0.389CS..  trans-62.5112.1173.724.1-31.5000110V38 E39 V40 L117 T119P36-V38 PolarHBondContact O-N 3.44Å; P36-E39 HydrophobicContact CB-CB 4.47Å; P36-E39 HydrophobicContact CB-CG 4.28Å; P36-E39 HydrophobicContact CG-CB 4.07Å; P36-E39 HydrophobicContact CG-CG 3.99Å; P36-E39 PolarHBondContact O-N 3.36Å; P36-V40 PolarHBondContact O-N 2.88Å; P36-L117 HydrophobicContact CB-CD1 4.22Å; P36-L117 HydrophobicContact CB-CD2 4.37Å; P36-L117 HydrophobicContact CG-CD2 4.16Å; P36-T119 HydrophobicContact CB-CG2 4.32Å
37E97.7Very high95.2Very high1 Ų176.7 Ų76.71%0.00537%0.369CS..Hα-helixtrans-63-29.8-173.4-70.1-62.5153.200111.8K35 E39 V40 R41 L46 L47 I67 N68 S69K35-E37 PolarHBondContact O-N 3.48Å; E37-E39 PolarHBondContact O-N 3.04Å; E37-V40 PolarHBondContact O-N 2.9Å; E37-R41 WeakPolarHBondContact O-CA 3.49Å; E37-R41 PolarHBondContact O-N 3.23Å; E37-L46 HydrophobicContact CB-CB 4.35Å; E37-L46 HydrophobicContact CG-CB 4.32Å; E37-L46 HydrophobicContact CG-CD1 3.78Å; E37-L47 WeakPolarHBondContact O-CD2 3.37Å; E37-I67 HydrophobicContact CG-CG2 4.18Å; E37-N68 WeakPolarHBondContact CB-OD1 3.37Å; E37-N68 WeakPolarHBondContact CG-OD1 3.23Å; E37-N68 PolarHBondContact N-OD1 3.08Å; E37-S69 PolarHBondContact N-OG 2.92Å
38V97.4Very high95.3Very high3 Ų380.7 Ų80.72%0.01839%0.389CS..Hα-helixtrans-66.2-23.1176.579.30000113.6P36 R41 E64 S66 S69 R71 L117P36-V38 PolarHBondContact O-N 3.44Å; V38-R41 WeakPolarHBondContact O-CG 3.5Å; V38-E64 HydrophobicContact CG2-CB 3.63Å; V38-E64 WeakPolarHBondContact CG2-O 3.22Å; V38-S66 PolarHBondContact N-OG 2.84Å; V38-S69 VanDerWaalsContact CG1-OG 3.25Å; V38-S69 WeakPolarHBondContact CG1-OG 3.43Å; V38-S69 PolarHBondContact N-OG 3.33Å; V38-R71 HydrophobicContact CG1-CB 3.97Å; V38-R71 HydrophobicContact CG2-CB 4.1Å; V38-R71 PolarHBondContact O-NH1 3.49Å; V38-R71 VanDerWaalsContact O-NH1 3.13Å; V38-L117 HydrophobicContact CG1-CD1 3.71Å
39E97.3Very high95.5Very high63 Ų6382.9 Ų82.929%0.29440%0.399SS..Hα-helixtrans-89.8-42.3176-67.9-68146.900111.8P36 E37 R71 R105 L117P36-E39 HydrophobicContact CB-CB 4.47Å; P36-E39 HydrophobicContact CB-CG 4.28Å; P36-E39 HydrophobicContact CG-CB 4.07Å; P36-E39 HydrophobicContact CG-CG 3.99Å; P36-E39 PolarHBondContact O-N 3.36Å; E37-E39 PolarHBondContact O-N 3.04Å; E39-R71 WeakPolarHBondContact OE1-CD 3.29Å; E39-R71 IonicContact OE1-CZ 3Å; E39-R71 IonicContact OE1-NH1 2.79Å; E39-R71 PolarHBondContact OE1-NH1 2.76Å; E39-R71 IonicContact OE2-NH1 3.87Å; E39-R71 PolarHBondContact OE2-NH1 3.15Å; E39-R105 IonicContact OE1-CZ 3.6Å; E39-R105 VanDerWaalsContact OE1-CZ 3.32Å; E39-R105 IonicContact OE1-NE 3.7Å; E39-R105 PolarHBondContact OE1-NE 3.29Å; E39-R105 IonicContact OE1-NH2 2.76Å; E39-R105 PolarHBondContact OE1-NH2 3.22Å; E39-R105 IonicContact OE2-CZ 2.71Å; E39-R105 IonicContact OE2-NE 2.78Å; E39-R105 IonicContact OE2-NH2 3.58Å; E39-R105 PolarHBondContact OE2-NH2 3.48Å; E39-L117 HydrophobicContact CG-CD1 4.07Å; E39-L117 HydrophobicContact CG-CD2 3.91Å
40V95.8Very high95.8Very high68 Ų6880.9 Ų80.941%0.41239%0.388SS..Hα-helixtrans-79.4-39.4-175-174.90000111.9K35 P36 E37 S42K35-V40 HydrophobicContact CB-CG2 3.68Å; K35-V40 HydrophobicContact CD-CG2 3.83Å; K35-V40 HydrophobicContact CG-CG2 4.39Å; P36-V40 PolarHBondContact O-N 2.88Å; E37-V40 PolarHBondContact O-N 2.9Å; V40-S42 PolarHBondContact O-N 3.08Å; V40-S42 VanDerWaalsContact O-N 3.12Å
41R95Very high96Very high135 Ų13581.2 Ų81.251%0.50939%0.39SS..  trans53.630.2175.8-52.2-177.675.7169.58.3114.5E37 V38 L47E37-R41 WeakPolarHBondContact O-CA 3.49Å; E37-R41 PolarHBondContact O-N 3.23Å; V38-R41 WeakPolarHBondContact O-CG 3.5Å; R41-L47 HydrophobicContact CB-CD1 3.97Å; R41-L47 HydrophobicContact CG-CD1 4.08Å; R41-L47 HydrophobicContact CG-CD2 4.42Å
42S93.9Very high96.3Very high58 Ų5878.8 Ų78.841%0.40638%0.38SS..  trans-76.9-29177.948.30000113V40V40-S42 PolarHBondContact O-N 3.08Å; V40-S42 VanDerWaalsContact O-N 3.12Å
43S95Very high96.6Very high8 Ų868.9 Ų68.96%0.05635%0.345CS..  trans-115.7108.1-177.5-72.80000110Q28 E45 L46Q28-S43 PolarHBondContact OE1-OG 3.41Å; S43-E45 VanDerWaalsContact C-N 3.33Å; S43-E45 VanDerWaalsContact CB-OE1 3.23Å; S43-E45 WeakPolarHBondContact CB-OE1 3.34Å; S43-E45 PolarHBondContact O-N 2.83Å; S43-E45 PolarHBondContact OG-OE1 2.74Å; S43-L46 PolarHBondContact O-N 3.07Å
44K95.7Very high96.8Very high178 Ų17868.1 Ų68.177%0.77435%0.349SS*.G310 helixtrans-70.3-32-174.1-71-173.2179.7179.30112.6L46 L47K44-L46 PolarHBondContact O-N 3.34Å; K44-L47 PolarHBondContact O-N 2.76Å; K44-L47 VanDerWaalsContact O-N 3.14Å
45E96.4Very high96.8Very high128 Ų12868.1 Ų68.160%0.59834%0.344SS*.G310 helixtrans-64.4-20.4177.169.8-76.3-177.600113.2Q28 S43Q28-E45 PolarHBondContact OE1-OE1 3.19Å; S43-E45 VanDerWaalsContact C-N 3.33Å; S43-E45 VanDerWaalsContact CB-OE1 3.23Å; S43-E45 WeakPolarHBondContact CB-OE1 3.34Å; S43-E45 PolarHBondContact O-N 2.83Å; S43-E45 PolarHBondContact OG-OE1 2.74Å
46L97.1Very high96.8Very high16 Ų1667.7 Ų67.78%0.08435%0.346CS..G310 helixtrans-91.1-7.8177.2-54.9-178.4000112.8F25 E37 S43 K44 S66 I67F25-L46 HydrophobicContact CD1-CD1 3.95Å; F25-L46 HydrophobicContact CE1-CD1 3.32Å; F25-L46 HydrophobicContact CE1-CD2 3.96Å; F25-L46 HydrophobicContact CE1-CG 4.3Å; F25-L46 HydrophobicContact CE2-CD2 4.26Å; F25-L46 HydrophobicContact CZ-CD1 3.92Å; F25-L46 HydrophobicContact CZ-CD2 3.67Å; F25-L46 HydrophobicContact CZ-CG 4.47Å; E37-L46 HydrophobicContact CB-CB 4.35Å; E37-L46 HydrophobicContact CG-CB 4.32Å; E37-L46 HydrophobicContact CG-CD1 3.78Å; S43-L46 PolarHBondContact O-N 3.07Å; K44-L46 PolarHBondContact O-N 3.34Å; L46-S66 WeakPolarHBondContact O-CA 3.36Å; L46-S66 VanDerWaalsContact O-CB 3.22Å; L46-S66 WeakPolarHBondContact O-CB 3.45Å; L46-I67 HydrophobicContact CB-CG2 4.1Å; L46-I67 HydrophobicContact CD1-CG2 4.38Å; L46-I67 HydrophobicContact CD2-CD1 4.42Å; L46-I67 HydrophobicContact CD2-CG2 4.14Å; L46-I67 HydrophobicContact CG-CG2 4.43Å; L46-I67 PolarHBondContact O-N 3.13Å; L46-I67 VanDerWaalsContact O-N 3.17Å
47L97.8Very high96.5Very high41 Ų4173.7 Ų73.722%0.21538%0.376CS..BIsolated β-bridgetrans-95.7132.5179.9-57.6-178.5000110.3E37 R41 K44E37-L47 WeakPolarHBondContact O-CD2 3.37Å; R41-L47 HydrophobicContact CB-CD1 3.97Å; R41-L47 HydrophobicContact CG-CD1 4.08Å; R41-L47 HydrophobicContact CG-CD2 4.42Å; K44-L47 PolarHBondContact O-N 2.76Å; K44-L47 VanDerWaalsContact O-N 3.14Å
48L97.6Very high96.2Very high103 Ų10379.8 Ų79.854%0.53940%0.402SS..PPolyproline II helixtrans-86.5162.9171.1-56.9-179.1000110.4P50 G65L48-P50 VanDerWaalsContact O-CD 3.3Å; L48-P50 WeakPolarHBondContact O-CD 3.44Å; L48-G65 WeakPolarHBondContact CB-O 3.34Å; L48-G65 PolarHBondContact N-O 3.36Å
49Q97.8Very high96.1Very high160 Ų16080.2 Ų80.275%0.74840%0.404SS*.PPolyproline II helixtrans-62.1124175.2-17759.831.200110V51Q49-V51 PolarHBondContact O-N 3.45Å
50P98.1Very high96.1Very high50 Ų5080.4 Ų80.433%0.32540%0.404SS..PPolyproline II helixtrans-61.2134.9172.7-25.236.2000111.4L48 L62 E64L48-P50 VanDerWaalsContact O-CD 3.3Å; L48-P50 WeakPolarHBondContact O-CD 3.44Å; P50-L62 HydrophobicContact CB-CD1 4.05Å; P50-E64 HydrophobicContact CB-CG 4.05Å; P50-E64 HydrophobicContact CG-CG 4.32Å
51V98.3Very high96.2Very high63 Ų6377.2 Ų77.238%0.38238%0.384SS..EExtended strand (participates in β ladder)trans-117.7133.4178.9-176.20000109.5T15 Q49 I53 I63T15-V51 HydrophobicContact CG2-CG1 4.46Å; Q49-V51 PolarHBondContact O-N 3.45Å; V51-I53 HydrophobicContact CG1-CG1 4.33Å; V51-I63 PolarHBondContact N-O 2.88Å; V51-I63 PolarHBondContact O-N 3.46Å
52I98.6Very high96.4Very high96 Ų9671.6 Ų71.649%0.49237%0.365SS..EExtended strand (participates in β ladder)trans-112.9127.4174.5-60172.6000108.6K60 V61 L62I52-K60 HydrophobicContact CG2-CB 4.25Å; I52-K60 HydrophobicContact CG2-CD 4.37Å; I52-V61 WeakPolarHBondContact CA-O 3.36Å; I52-L62 HydrophobicContact CD1-CD1 4.38Å; I52-L62 HydrophobicContact CG1-CB 4.4Å; I52-L62 HydrophobicContact CG1-CD1 3.69Å
53I98.5Very high96.6Very high22 Ų2269.1 Ų69.111%0.11335%0.347CS..EExtended strand (participates in β ladder)trans-113.9117.9174.5-54.8165.6000106Y8 A11 V12 T15 V51 K60 V61 I63Y8-I53 HydrophobicContact CD2-CG2 3.83Å; Y8-I53 HydrophobicContact CE2-CB 4.46Å; Y8-I53 HydrophobicContact CE2-CG2 3.89Å; Y8-I53 WeakPolarHBondContact CE2-O 3.45Å; A11-I53 HydrophobicContact CB-CG2 4.06Å; V12-I53 HydrophobicContact CB-CD1 4.34Å; V12-I53 HydrophobicContact CG2-CB 4.13Å; V12-I53 HydrophobicContact CG2-CD1 3.91Å; V12-I53 HydrophobicContact CG2-CG2 3.94Å; T15-I53 HydrophobicContact CG2-CD1 4.16Å; T15-I53 WeakPolarHBondContact OG1-CD1 3.21Å; V51-I53 HydrophobicContact CG1-CG1 4.33Å; I53-K60 CarbonylContact O-C 3.51Å; I53-K60 VanDerWaalsContact O-CA 3.25Å; I53-K60 WeakPolarHBondContact O-CA 3.49Å; I53-V61 PolarHBondContact N-O 2.86Å; I53-V61 PolarHBondContact O-N 2.95Å; I53-I63 HydrophobicContact CD1-CD1 4.14Å
54S97.4Very high96.8Very high70 Ų7069.5 Ų69.549%0.4935%0.347SS..EExtended strand (participates in β ladder)trans-117.6134.2-177.2-520000109.8E59 K60S54-E59 WeakPolarHBondContact CA-O 3.46Å; S54-K60 WeakPolarHBondContact OG-CB 3.32Å
55R95.5Very high96.9Very high56 Ų5661.2 Ų61.221%0.21131%0.313CS..SBendtrans-86.1-36.5169.7-167.9-162.7179.5179.7-3.2110.9M1 T4 Y8 E59M1-R55 PolarHBondContact O-NH2 3.2Å; T4-R55 PolarHBondContact OG1-NE 3.33Å; T4-R55 VanDerWaalsContact OG1-NE 3.08Å; Y8-R55 HydrophobicContact CD1-CB 4Å; Y8-R55 HydrophobicContact CD1-CG 4.32Å; Y8-R55 HydrophobicContact CD2-CB 3.78Å; Y8-R55 HydrophobicContact CE1-CB 4.22Å; Y8-R55 HydrophobicContact CE2-CB 4.03Å; Y8-R55 HydrophobicContact CG-CB 3.74Å; Y8-R55 HydrophobicContact CG-CG 4.08Å; R55-E59 HydrophobicContact CB-CB 4.11Å; R55-E59 WeakPolarHBondContact CD-OE2 3.38Å; R55-E59 IonicContact CZ-OE2 3.32Å; R55-E59 PolarHBondContact N-O 3.34Å; R55-E59 IonicContact NE-OE2 2.75Å; R55-E59 IonicContact NH1-OE1 3.41Å; R55-E59 IonicContact NH1-OE2 3.18Å; R55-E59 PolarHBondContact NH1-OE2 3.03Å
56N93.9Very high97Very high65 Ų6555.3 Ų55.335%0.34829%0.286SS..SBendtrans-157.8-175175.759.958.7000108.9K58 E59N56-K58 PolarHBondContact O-N 3.04Å; N56-K58 VanDerWaalsContact O-N 3.15Å; N56-K58 WeakPolarHBondContact OD1-CA 3.29Å; N56-K58 WeakPolarHBondContact OD1-CB 3.36Å; N56-K58 PolarHBondContact OD1-N 3.48Å; N56-E59 PolarHBondContact N-O 3.29Å; N56-E59 PolarHBondContact ND2-OE1 2.86Å; N56-E59 PolarHBondContact OD1-N 3.21Å
57D92Very high97Very high163 Ų16357 Ų5787%0.87229%0.294SS*.SBendtrans-62.8-21.9-176.4-56.4-29.2000114.3
58K91.2Very high97.1Very high130 Ų13055 Ų5557%0.56528%0.284SS*.SBendtrans-101.6-38.7-177.6-61.7-173.9175-172.70112.9N56 A75N56-K58 PolarHBondContact O-N 3.04Å; N56-K58 VanDerWaalsContact O-N 3.15Å; N56-K58 WeakPolarHBondContact OD1-CA 3.29Å; N56-K58 WeakPolarHBondContact OD1-CB 3.36Å; N56-K58 PolarHBondContact OD1-N 3.48Å; K58-A75 WeakPolarHBondContact O-CB 3.44Å
59E94.5Very high97.1Very high12 Ų1250.1 Ų50.16%0.05626%0.258CS..  trans-97.1110.4-177.2-72168.2-131.900110.9S54 R55 N56 K77S54-E59 WeakPolarHBondContact CA-O 3.46Å; R55-E59 HydrophobicContact CB-CB 4.11Å; R55-E59 WeakPolarHBondContact CD-OE2 3.38Å; R55-E59 IonicContact CZ-OE2 3.32Å; R55-E59 PolarHBondContact N-O 3.34Å; R55-E59 IonicContact NE-OE2 2.75Å; R55-E59 IonicContact NH1-OE1 3.41Å; R55-E59 IonicContact NH1-OE2 3.18Å; R55-E59 PolarHBondContact NH1-OE2 3.03Å; N56-E59 PolarHBondContact N-O 3.29Å; N56-E59 PolarHBondContact ND2-OE1 2.86Å; N56-E59 PolarHBondContact OD1-N 3.21Å; E59-K77 HydrophobicContact CG-CB 3.78Å; E59-K77 HydrophobicContact CG-CG 4.39Å; E59-K77 WeakPolarHBondContact OE1-CB 3.44Å; E59-K77 WeakPolarHBondContact OE1-CD 3.3Å; E59-K77 VanDerWaalsContact OE1-CG 3.29Å; E59-K77 WeakPolarHBondContact OE1-CG 3.47Å
60K97.4Very high97.1Very high67 Ų6742.5 Ų42.529%0.29122%0.223SC..EExtended strand (participates in β ladder)trans-151.3151.217961.1-176.4179.8-171.10112.4Y8 I52 I53 S54 A75 Y112Y8-K60 WeakPolarHBondContact OH-CA 3.38Å; I52-K60 HydrophobicContact CG2-CB 4.25Å; I52-K60 HydrophobicContact CG2-CD 4.37Å; I53-K60 CarbonylContact O-C 3.51Å; I53-K60 VanDerWaalsContact O-CA 3.25Å; I53-K60 WeakPolarHBondContact O-CA 3.49Å; S54-K60 WeakPolarHBondContact OG-CB 3.32Å; K60-A75 HydrophobicContact CG-CB 3.86Å; K60-A75 PolarHBondContact N-O 3.43Å; K60-A75 PolarHBondContact O-N 2.85Å; K60-Y112 HydrophobicContact CG-CE1 4.07Å
61V98.6Very high97.2Very high0 Ų040.9 Ų40.90%021%0.21CC..EExtended strand (participates in β ladder)trans-115.2130.6169.4-173.90000109.4Y8 V12 I52 I53 I63 V72 S73 I74 M139Y8-V61 WeakPolarHBondContact OH-CG2 3.34Å; Y8-V61 PolarHBondContact OH-N 3.35Å; V12-V61 HydrophobicContact CG1-CG2 4.38Å; V12-V61 HydrophobicContact CG2-CB 4.32Å; V12-V61 HydrophobicContact CG2-CG2 4.01Å; I52-V61 WeakPolarHBondContact CA-O 3.36Å; I53-V61 PolarHBondContact N-O 2.86Å; I53-V61 PolarHBondContact O-N 2.95Å; V61-I63 HydrophobicContact CG1-CD1 4.39Å; V61-I63 HydrophobicContact CG1-CG1 3.87Å; V61-V72 HydrophobicContact CG1-CG1 3.66Å; V61-S73 CarbonylContact C-O 3.09Å; V61-S73 VanDerWaalsContact CA-O 3.29Å; V61-S73 WeakPolarHBondContact CA-O 3.33Å; V61-I74 HydrophobicContact CG1-CG1 4.3Å; V61-I74 HydrophobicContact CG2-CG1 4.22Å; V61-I74 HydrophobicContact CG2-CG2 4.45Å; V61-M139 HydrophobicContact CG2-CE 3.38Å; V61-M139 HydrophobicContact CG2-SD 3.95Å
62L98.8Very high97.2Very high18 Ų1837.9 Ų37.99%0.09419%0.192CC..EExtended strand (participates in β ladder)trans-99.4125.5166.2168.266.5000108.9P50 I52 E64 V72 S73 Y112P50-L62 HydrophobicContact CB-CD1 4.05Å; I52-L62 HydrophobicContact CD1-CD1 4.38Å; I52-L62 HydrophobicContact CG1-CB 4.4Å; I52-L62 HydrophobicContact CG1-CD1 3.69Å; L62-E64 HydrophobicContact CD1-CG 3.93Å; L62-E64 HydrophobicContact CD2-CG 4.24Å; L62-E64 HydrophobicContact CG-CG 3.94Å; L62-V72 CarbonylContact O-C 3.44Å; L62-V72 WeakPolarHBondContact O-CA 3.25Å; L62-S73 PolarHBondContact N-O 3.3Å; L62-S73 PolarHBondContact O-N 2.82Å; L62-Y112 HydrophobicContact CB-CE1 3.69Å; L62-Y112 HydrophobicContact CB-CE2 4.16Å; L62-Y112 VanDerWaalsContact CB-CZ 3.46Å; L62-Y112 WeakPolarHBondContact CB-OH 3.47Å; L62-Y112 HydrophobicContact CD2-CE2 3.87Å
63I98.8Very high97.2Very high5 Ų533.3 Ų33.33%0.02617%0.168CC..EExtended strand (participates in β ladder)trans-116.4119.4175.6-58.8172.6000107.7T15 L16 A19 V51 I53 V61 V70 V72T15-I63 HydrophobicContact CG2-CD1 3.62Å; L16-I63 HydrophobicContact CD2-CD1 3.79Å; L16-I63 HydrophobicContact CD2-CG1 4.22Å; L16-I63 HydrophobicContact CG-CD1 3.96Å; A19-I63 HydrophobicContact CB-CG2 4Å; V51-I63 PolarHBondContact N-O 2.88Å; V51-I63 PolarHBondContact O-N 3.46Å; I53-I63 HydrophobicContact CD1-CD1 4.14Å; V61-I63 HydrophobicContact CG1-CD1 4.39Å; V61-I63 HydrophobicContact CG1-CG1 3.87Å; I63-V70 HydrophobicContact CG2-CG1 3.86Å; I63-V72 HydrophobicContact CG1-CG1 4.4Å
64E98.6Very high97.2Very high16 Ų1632.5 Ų32.58%0.07516%0.164CC..EExtended strand (participates in β ladder)trans-117.5113.5177.7-63.816996.100107.8V38 P50 L62 V70 R71V38-E64 HydrophobicContact CG2-CB 3.63Å; V38-E64 WeakPolarHBondContact CG2-O 3.22Å; P50-E64 HydrophobicContact CB-CG 4.05Å; P50-E64 HydrophobicContact CG-CG 4.32Å; L62-E64 HydrophobicContact CD1-CG 3.93Å; L62-E64 HydrophobicContact CD2-CG 4.24Å; L62-E64 HydrophobicContact CG-CG 3.94Å; E64-V70 CarbonylContact O-C 3.59Å; E64-V70 WeakPolarHBondContact O-CA 3.28Å; E64-R71 HydrophobicContact CB-CB 4.34Å; E64-R71 PolarHBondContact N-O 3.33Å; E64-R71 PolarHBondContact O-N 3.49Å; E64-R71 IonicContact OE1-CZ 3.53Å; E64-R71 IonicContact OE1-NE 3.59Å; E64-R71 IonicContact OE1-NH2 3.85Å; E64-R71 PolarHBondContact OE1-NH2 3Å; E64-R71 IonicContact OE2-CZ 3.88Å; E64-R71 VanDerWaalsContact OE2-CZ 3.26Å; E64-R71 IonicContact OE2-NE 2.93Å; E64-R71 PolarHBondContact OE2-NE 2.9Å; E64-R71 IonicContact OE2-NH2 3.65Å; E64-R71 PolarHBondContact OE2-NH2 2.79Å
65G98.3Very high97.2Very high5 Ų529.6 Ų29.65%0.05214%0.144CC..EExtended strand (participates in β ladder)trans-101.1152.2179.500000112.7L48L48-G65 WeakPolarHBondContact CB-O 3.34Å; L48-G65 PolarHBondContact N-O 3.36Å
66S98.4Very high97.2Very high3 Ų327.3 Ų27.32%0.02114%0.137CC..BIsolated β-bridgetrans-139.6177.8164.879.10000109.8L22 V38 L46 N68 S69L22-S66 WeakPolarHBondContact CD2-O 3.45Å; V38-S66 PolarHBondContact N-OG 2.84Å; L46-S66 WeakPolarHBondContact O-CA 3.36Å; L46-S66 VanDerWaalsContact O-CB 3.22Å; L46-S66 WeakPolarHBondContact O-CB 3.45Å; S66-N68 VanDerWaalsContact C-N 3.3Å; S66-N68 PolarHBondContact O-N 2.89Å; S66-N68 PolarHBondContact OG-OD1 3.44Å; S66-S69 PolarHBondContact N-O 3.03Å; S66-S69 PolarHBondContact OG-N 3.48Å; S66-S69 VanDerWaalsContact OG-N 3.15Å; S66-S69 PolarHBondContact OG-O 2.91Å; S66-S69 VanDerWaalsContact OG-O 3.06Å; S66-S69 PolarHBondContact OG-OG 3.18Å
67I98.1Very high97.1Very high51 Ų5128.5 Ų28.526%0.26214%0.139SC..SBendtrans-56.4-38.3178.2-169.9156.4000114.3L22 E23 F25 E37 L46L22-I67 WeakPolarHBondContact CA-O 3.39Å; E23-I67 PolarHBondContact N-O 3.36Å; F25-I67 HydrophobicContact CB-CG1 4.43Å; F25-I67 HydrophobicContact CB-CG2 3.87Å; F25-I67 HydrophobicContact CD1-CG2 3.98Å; F25-I67 HydrophobicContact CD2-CD1 3.41Å; F25-I67 VanDerWaalsContact CD2-CD1 3.41Å; F25-I67 HydrophobicContact CD2-CG1 4.06Å; F25-I67 HydrophobicContact CD2-CG2 4.14Å; F25-I67 HydrophobicContact CE2-CD1 3.66Å; F25-I67 HydrophobicContact CG-CD1 4.15Å; F25-I67 HydrophobicContact CG-CG1 4.37Å; F25-I67 HydrophobicContact CG-CG2 3.73Å; E37-I67 HydrophobicContact CG-CG2 4.18Å; L46-I67 HydrophobicContact CB-CG2 4.1Å; L46-I67 HydrophobicContact CD1-CG2 4.38Å; L46-I67 HydrophobicContact CD2-CD1 4.42Å; L46-I67 HydrophobicContact CD2-CG2 4.14Å; L46-I67 HydrophobicContact CG-CG2 4.43Å; L46-I67 PolarHBondContact O-N 3.13Å; L46-I67 VanDerWaalsContact O-N 3.17Å
68N97.9Very high97.1Very high1 Ų122.6 Ų22.61%0.00511%0.106CC..SBendtrans-119.60.7-173.367.3-6.9000114.3E23 F25 K35 E37 S66 T119 N120E23-N68 WeakPolarHBondContact O-CA 3.38Å; E23-N68 WeakPolarHBondContact O-CB 3.38Å; F25-N68 HydrophobicContact CB-CB 3.94Å; K35-N68 PolarHBondContact O-ND2 2.89Å; E37-N68 WeakPolarHBondContact CB-OD1 3.37Å; E37-N68 WeakPolarHBondContact CG-OD1 3.23Å; E37-N68 PolarHBondContact N-OD1 3.08Å; S66-N68 VanDerWaalsContact C-N 3.3Å; S66-N68 PolarHBondContact O-N 2.89Å; S66-N68 PolarHBondContact OG-OD1 3.44Å; N68-T119 CarbonylContact O-C 3.57Å; N68-T119 WeakPolarHBondContact O-CA 3.35Å; N68-N120 PolarHBondContact O-N 2.86Å
69S98.4Very high97.2Very high0 Ų019.3 Ų19.30%010%0.103CC..EExtended strand (participates in β ladder)trans-157.1150.5-176.858.70000113.8E37 V38 S66 I118E37-S69 PolarHBondContact N-OG 2.92Å; V38-S69 VanDerWaalsContact CG1-OG 3.25Å; V38-S69 WeakPolarHBondContact CG1-OG 3.43Å; V38-S69 PolarHBondContact N-OG 3.33Å; S66-S69 PolarHBondContact N-O 3.03Å; S66-S69 PolarHBondContact OG-N 3.48Å; S66-S69 VanDerWaalsContact OG-N 3.15Å; S66-S69 PolarHBondContact OG-O 2.91Å; S66-S69 VanDerWaalsContact OG-O 3.06Å; S66-S69 PolarHBondContact OG-OG 3.18Å; S69-I118 CarbonylContact C-O 3.53Å; S69-I118 WeakPolarHBondContact CA-O 3.36Å
70V98.7Very high97.2Very high0 Ų021.7 Ų21.70%012%0.116CC..EExtended strand (participates in β ladder)trans-125.7130.1171-176.50000109A19 L20 L22 I63 E64 V72 I118A19-V70 HydrophobicContact CB-CG1 4.19Å; A19-V70 HydrophobicContact CB-CG2 4.09Å; A19-V70 VanDerWaalsContact O-CG2 3.25Å; A19-V70 WeakPolarHBondContact O-CG2 3.4Å; L20-V70 HydrophobicContact CD2-CB 4.1Å; L20-V70 HydrophobicContact CD2-CG2 3.84Å; L20-V70 HydrophobicContact CG-CG2 4.49Å; L22-V70 HydrophobicContact CD1-CG2 4.39Å; L22-V70 HydrophobicContact CD2-CG2 3.8Å; L22-V70 HydrophobicContact CG-CG2 4.38Å; I63-V70 HydrophobicContact CG2-CG1 3.86Å; E64-V70 CarbonylContact O-C 3.59Å; E64-V70 WeakPolarHBondContact O-CA 3.28Å; V70-V72 HydrophobicContact CG1-CG2 3.94Å; V70-I118 PolarHBondContact N-O 2.84Å; V70-I118 PolarHBondContact O-N 2.82Å
71R98.6Very high97.1Very high15 Ų1524.4 Ų24.46%0.05713%0.13CC..EExtended strand (participates in β ladder)trans-101.2130167.5178.9164.966.1-133.6-4109.8V38 E39 E64 V109 F116V38-R71 HydrophobicContact CG1-CB 3.97Å; V38-R71 HydrophobicContact CG2-CB 4.1Å; V38-R71 PolarHBondContact O-NH1 3.49Å; V38-R71 VanDerWaalsContact O-NH1 3.13Å; E39-R71 WeakPolarHBondContact OE1-CD 3.29Å; E39-R71 IonicContact OE1-CZ 3Å; E39-R71 IonicContact OE1-NH1 2.79Å; E39-R71 PolarHBondContact OE1-NH1 2.76Å; E39-R71 IonicContact OE2-NH1 3.87Å; E39-R71 PolarHBondContact OE2-NH1 3.15Å; E64-R71 HydrophobicContact CB-CB 4.34Å; E64-R71 PolarHBondContact N-O 3.33Å; E64-R71 PolarHBondContact O-N 3.49Å; E64-R71 IonicContact OE1-CZ 3.53Å; E64-R71 IonicContact OE1-NE 3.59Å; E64-R71 IonicContact OE1-NH2 3.85Å; E64-R71 PolarHBondContact OE1-NH2 3Å; E64-R71 IonicContact OE2-CZ 3.88Å; E64-R71 VanDerWaalsContact OE2-CZ 3.26Å; E64-R71 IonicContact OE2-NE 2.93Å; E64-R71 PolarHBondContact OE2-NE 2.9Å; E64-R71 IonicContact OE2-NH2 3.65Å; E64-R71 PolarHBondContact OE2-NH2 2.79Å; R71-V109 HydrophobicContact CG-CG2 4.43Å; R71-F116 WeakPolarHBondContact CA-O 3.5Å
72V98.6Very high96.9Very high0 Ų027.2 Ų27.20%014%0.144CC..EExtended strand (participates in β ladder)trans-122.2115.8179.6-1740000108.1L16 V61 L62 I63 V70 I74 S115 F116 V135L16-V72 HydrophobicContact CD2-CG1 4.2Å; L16-V72 HydrophobicContact CD2-CG2 3.52Å; V61-V72 HydrophobicContact CG1-CG1 3.66Å; L62-V72 CarbonylContact O-C 3.44Å; L62-V72 WeakPolarHBondContact O-CA 3.25Å; I63-V72 HydrophobicContact CG1-CG1 4.4Å; V70-V72 HydrophobicContact CG1-CG2 3.94Å; V72-I74 HydrophobicContact CG1-CG1 4.41Å; V72-S115 CarbonylContact O-C 3.59Å; V72-S115 WeakPolarHBondContact O-CA 3.37Å; V72-F116 HydrophobicContact CB-CB 4.33Å; V72-F116 PolarHBondContact N-O 2.71Å; V72-F116 PolarHBondContact O-N 2.87Å; V72-V135 HydrophobicContact CG1-CG1 4.36Å
73S98.6Very high96.8Very high0 Ų027.3 Ų27.30%014%0.144CC..EExtended strand (participates in β ladder)trans-116.7130.5-179.2-55.50000110.5V61 L62 V109 Y112 I114 S115V61-S73 CarbonylContact C-O 3.09Å; V61-S73 VanDerWaalsContact CA-O 3.29Å; V61-S73 WeakPolarHBondContact CA-O 3.33Å; L62-S73 PolarHBondContact N-O 3.3Å; L62-S73 PolarHBondContact O-N 2.82Å; S73-V109 WeakPolarHBondContact OG-CG2 3.34Å; S73-Y112 VanDerWaalsContact C-CD1 3.48Å; S73-Y112 WeakPolarHBondContact O-CD1 3.35Å; S73-I114 WeakPolarHBondContact CA-O 3.45Å; S73-S115 WeakPolarHBondContact CB-OG 3.49Å; S73-S115 PolarHBondContact OG-OG 2.86Å
74I98.4Very high96.7Very high5 Ų531.8 Ų31.83%0.02616%0.164CC..EExtended strand (participates in β ladder)trans-119.3128.2-170.3-55170000109V61 V72 V76 D113 I114 F116 F138 M139V61-I74 HydrophobicContact CG1-CG1 4.3Å; V61-I74 HydrophobicContact CG2-CG1 4.22Å; V61-I74 HydrophobicContact CG2-CG2 4.45Å; V72-I74 HydrophobicContact CG1-CG1 4.41Å; I74-V76 HydrophobicContact CG2-CG2 4.17Å; I74-D113 PolarHBondContact O-N 2.97Å; I74-I114 HydrophobicContact CB-CG2 4.06Å; I74-I114 HydrophobicContact CD1-CG2 4.45Å; I74-I114 PolarHBondContact N-O 3.39Å; I74-I114 PolarHBondContact O-N 2.89Å; I74-F116 HydrophobicContact CD1-CD2 4.19Å; I74-F116 HydrophobicContact CD1-CE2 3.76Å; I74-F138 HydrophobicContact CD1-CD1 4.12Å; I74-F138 HydrophobicContact CD1-CE1 4.27Å; I74-M139 HydrophobicContact CD1-CG 3.75Å; I74-M139 HydrophobicContact CD1-SD 4.24Å; I74-M139 HydrophobicContact CG2-CG 4.47Å
75A97.8Very high96.6Very high9 Ų935.1 Ų35.17%0.07418%0.181CC..EExtended strand (participates in β ladder)trans-100.3120.5167.500000108.2K58 K60 Y112 D113K58-A75 WeakPolarHBondContact O-CB 3.44Å; K60-A75 HydrophobicContact CG-CB 3.86Å; K60-A75 PolarHBondContact N-O 3.43Å; K60-A75 PolarHBondContact O-N 2.85Å; A75-Y112 HydrophobicContact CB-CD1 4.06Å; A75-Y112 HydrophobicContact CB-CE1 4.44Å; A75-D113 WeakPolarHBondContact CA-OD2 2.94Å
76V95.5Very high96.6Very high8 Ų835.9 Ų35.95%0.04818%0.184CC..PPolyproline II helixtrans-96.9148.1-170.8-177.70000109.2I74 Q78 D113 I142 I146I74-V76 HydrophobicContact CG2-CG2 4.17Å; V76-Q78 PolarHBondContact O-N 3.18Å; V76-D113 HydrophobicContact CG2-CB 4.11Å; V76-D113 PolarHBondContact N-OD2 3.41Å; V76-I142 HydrophobicContact CB-CD1 4.44Å; V76-I142 HydrophobicContact CG1-CD1 4.07Å; V76-I142 HydrophobicContact CG1-CG1 4.11Å; V76-I142 HydrophobicContact CG1-CG2 4.26Å; V76-I142 HydrophobicContact CG2-CD1 3.51Å; V76-I142 HydrophobicContact CG2-CG1 4.42Å; V76-I146 HydrophobicContact CG1-CD1 3.77Å
77K91.6Very high96.5Very high90 Ų9035.7 Ų35.739%0.39118%0.183SC..PPolyproline II helixtrans-63.8128.6177.3-170.8-170.9172.2-168.60110.8E59E59-K77 HydrophobicContact CG-CB 3.78Å; E59-K77 HydrophobicContact CG-CG 4.39Å; E59-K77 WeakPolarHBondContact OE1-CB 3.44Å; E59-K77 WeakPolarHBondContact OE1-CD 3.3Å; E59-K77 VanDerWaalsContact OE1-CG 3.29Å; E59-K77 WeakPolarHBondContact OE1-CG 3.47Å
78Q92.7Very high96.5Very high40 Ų4039 Ų3919%0.18720%0.197CC..  trans-132.9104.6174.8-62.6165.63600108.2V76 C87 D113V76-Q78 PolarHBondContact O-N 3.18Å; Q78-C87 HydrophobicContact CG-CB 4.14Å; Q78-D113 PolarHBondContact NE2-OD1 3.07Å; Q78-D113 PolarHBondContact NE2-OD2 3.47Å
79A92.1Very high96.4Very high61 Ų6145.3 Ų45.350%0.50422%0.224SC..  trans-80.8-31.2-174.500000113E83A79-E83 WeakPolarHBondContact CB-OE2 3.18Å; A79-E83 PolarHBondContact N-OE2 2.85Å
80D95Very high96.3Very high61 Ų6147.6 Ų47.633%0.32623%0.234SC..SBendtrans-148.7177.5-177.356.828.9000112.6I82 E83 K84 K150D80-I82 VanDerWaalsContact C-N 3.3Å; D80-I82 PolarHBondContact O-N 2.93Å; D80-I82 WeakPolarHBondContact OD1-CG2 3.41Å; D80-I82 PolarHBondContact OD1-N 3.13Å; D80-E83 PolarHBondContact O-N 2.93Å; D80-E83 WeakPolarHBondContact OD1-CB 3.42Å; D80-E83 WeakPolarHBondContact OD1-CG 3.47Å; D80-E83 PolarHBondContact OD1-N 3.28Å; D80-K84 WeakPolarHBondContact O-CB 3.2Å; D80-K84 PolarHBondContact O-N 2.89Å; D80-K150 IonicContact OD1-NZ 2.63Å; D80-K150 WeakPolarHBondContact OD2-CE 3.37Å; D80-K150 IonicContact OD2-NZ 2.77Å; D80-K150 PolarHBondContact OD2-NZ 3.32Å
81E95.4Very high96.2Very high124 Ų12447.7 Ų47.758%0.57924%0.235SC*.Hα-helixtrans-64.5-31.2-177.4-74.6-63.8137.600113K84 I85E81-K84 PolarHBondContact O-N 3.38Å; E81-K84 IonicContact OE1-NZ 3.5Å; E81-K84 PolarHBondContact OE1-NZ 3.16Å; E81-K84 IonicContact OE2-NZ 3.94Å; E81-I85 WeakPolarHBondContact O-CG1 3.41Å; E81-I85 PolarHBondContact O-N 2.75Å; E81-I85 VanDerWaalsContact O-N 3.1Å
82I95.3Very high96.1Very high59 Ų5953.8 Ų53.830%0.30326%0.258SS..Hα-helixtrans-69.6-45176.7-174.164000110.5D80 K84 I85 L86 K150D80-I82 VanDerWaalsContact C-N 3.3Å; D80-I82 PolarHBondContact O-N 2.93Å; D80-I82 WeakPolarHBondContact OD1-CG2 3.41Å; D80-I82 PolarHBondContact OD1-N 3.13Å; I82-K84 VanDerWaalsContact C-N 3.32Å; I82-K84 PolarHBondContact O-N 2.83Å; I82-I85 PolarHBondContact O-N 3.23Å; I82-L86 HydrophobicContact CD1-CD1 4.49Å; I82-L86 HydrophobicContact CD1-CG 4.4Å; I82-L86 HydrophobicContact CG1-CD1 4Å; I82-L86 HydrophobicContact CG1-CG 4.36Å; I82-L86 WeakPolarHBondContact O-CB 3.47Å; I82-L86 VanDerWaalsContact O-CG 3.23Å; I82-L86 WeakPolarHBondContact O-CG 3.41Å; I82-L86 PolarHBondContact O-N 3Å; I82-K150 HydrophobicContact CG2-CD 4.2Å; I82-K150 HydrophobicContact CG2-CG 4.08Å
83E96.4Very high95.9Very high21 Ų2158.2 Ų58.210%0.09828%0.277CS..Hα-helixtrans-62.6-38.3175.1-75.2176.9-15900112.2A79 D80 I85 L86 C87 I146 K150A79-E83 WeakPolarHBondContact CB-OE2 3.18Å; A79-E83 PolarHBondContact N-OE2 2.85Å; D80-E83 PolarHBondContact O-N 2.93Å; D80-E83 WeakPolarHBondContact OD1-CB 3.42Å; D80-E83 WeakPolarHBondContact OD1-CG 3.47Å; D80-E83 PolarHBondContact OD1-N 3.28Å; E83-I85 PolarHBondContact O-N 3.03Å; E83-L86 PolarHBondContact O-N 3.49Å; E83-C87 WeakPolarHBondContact O-CB 3.37Å; E83-C87 PolarHBondContact O-N 3.49Å; E83-I146 HydrophobicContact CB-CG2 4.1Å; E83-I146 HydrophobicContact CG-CG2 3.87Å; E83-K150 HydrophobicContact CG-CD 3.96Å; E83-K150 IonicContact OE1-NZ 2.77Å; E83-K150 PolarHBondContact OE1-NZ 2.94Å
84K96.3Very high95.7Very high99 Ų9959.3 Ų59.343%0.4328%0.283SS..Hα-helixtrans-59-46.7175178.7175.3178.5-1700112.2D80 E81 I82 H88D80-K84 WeakPolarHBondContact O-CB 3.2Å; D80-K84 PolarHBondContact O-N 2.89Å; E81-K84 PolarHBondContact O-N 3.38Å; E81-K84 IonicContact OE1-NZ 3.5Å; E81-K84 PolarHBondContact OE1-NZ 3.16Å; E81-K84 IonicContact OE2-NZ 3.94Å; I82-K84 VanDerWaalsContact C-N 3.32Å; I82-K84 PolarHBondContact O-N 2.83Å; K84-H88 VanDerWaalsContact O-CB 3.29Å; K84-H88 WeakPolarHBondContact O-CB 3.42Å; K84-H88 PolarHBondContact O-N 3.07Å
85I97.4Very high95.4Very high85 Ų8560.4 Ų60.444%0.43629%0.288SS..Hα-helixtrans-67.8-41.9178.1-65.7166.9000111E81 I82 E83 K89E81-I85 WeakPolarHBondContact O-CG1 3.41Å; E81-I85 PolarHBondContact O-N 2.75Å; E81-I85 VanDerWaalsContact O-N 3.1Å; I82-I85 PolarHBondContact O-N 3.23Å; E83-I85 PolarHBondContact O-N 3.03Å; I85-K89 HydrophobicContact CG2-CD 4.1Å; I85-K89 WeakPolarHBondContact O-CB 3.45Å; I85-K89 WeakPolarHBondContact O-CG 3.35Å; I85-K89 PolarHBondContact O-N 3.19Å
86L97.4Very high95.2Very high21 Ų2165.7 Ų65.711%0.1131%0.312CS..Hα-helixtrans-63.3-49.6178.1-71.5174.1000111.4I82 E83 H88 K89 F90 M149 K150 V153I82-L86 HydrophobicContact CD1-CD1 4.49Å; I82-L86 HydrophobicContact CD1-CG 4.4Å; I82-L86 HydrophobicContact CG1-CD1 4Å; I82-L86 HydrophobicContact CG1-CG 4.36Å; I82-L86 WeakPolarHBondContact O-CB 3.47Å; I82-L86 VanDerWaalsContact O-CG 3.23Å; I82-L86 WeakPolarHBondContact O-CG 3.41Å; I82-L86 PolarHBondContact O-N 3Å; E83-L86 PolarHBondContact O-N 3.49Å; L86-H88 PolarHBondContact O-N 2.91Å; L86-K89 PolarHBondContact O-N 3.17Å; L86-F90 VanDerWaalsContact O-CB 3.28Å; L86-F90 WeakPolarHBondContact O-CB 3.3Å; L86-F90 PolarHBondContact O-N 3.35Å; L86-M149 HydrophobicContact CB-CE 4.43Å; L86-M149 HydrophobicContact CD1-CB 4.02Å; L86-M149 HydrophobicContact CD2-CB 4.19Å; L86-K150 HydrophobicContact CD1-CB 3.92Å; L86-V153 HydrophobicContact CD2-CG2 4.48Å
87C97.1Very high95Very high0 Ų070.6 Ų70.60%033%0.33CS..Hα-helixtrans-55.8-52.4175.7-176.20000110.6Q78 E83 K89 F90 M91 I146Q78-C87 HydrophobicContact CG-CB 4.14Å; E83-C87 WeakPolarHBondContact O-CB 3.37Å; E83-C87 PolarHBondContact O-N 3.49Å; C87-K89 PolarHBondContact O-N 3.08Å; C87-F90 PolarHBondContact O-N 3.35Å; C87-M91 WeakPolarHBondContact O-CG 3.35Å; C87-M91 PolarHBondContact O-N 3.31Å; C87-I146 HydrophobicContact CB-CD1 3.77Å
88H96.6Very high94.8Very high121 Ų12166.8 Ų66.856%0.5632%0.315SS*.Hα-helixtrans-57.7-44.8179.4175-106.3000112.6K84 L86 R92K84-H88 VanDerWaalsContact O-CB 3.29Å; K84-H88 WeakPolarHBondContact O-CB 3.42Å; K84-H88 PolarHBondContact O-N 3.07Å; L86-H88 PolarHBondContact O-N 2.91Å; H88-R92 WeakPolarHBondContact O-CB 3.4Å; H88-R92 PolarHBondContact O-N 3.48Å
89K96.8Very high94.3Very high132 Ų13271.7 Ų71.757%0.57434%0.338SS*.Hα-helixtrans-67.2-41.5178-74.7179.9-173.9-71.10112I85 L86 C87 R92 F93I85-K89 HydrophobicContact CG2-CD 4.1Å; I85-K89 WeakPolarHBondContact O-CB 3.45Å; I85-K89 WeakPolarHBondContact O-CG 3.35Å; I85-K89 PolarHBondContact O-N 3.19Å; L86-K89 PolarHBondContact O-N 3.17Å; C87-K89 PolarHBondContact O-N 3.08Å; K89-R92 PolarHBondContact O-N 3.24Å; K89-F93 WeakPolarHBondContact O-CB 3.35Å; K89-F93 PolarHBondContact O-N 3.32Å
90F96.5Very high93.9Very high48 Ų4875.5 Ų75.521%0.21135%0.35CS..Hα-helixtrans-67-45.7-179.7-176-132.1000111.6L86 C87 R92 F93 M94 I142 E145 M149L86-F90 VanDerWaalsContact O-CB 3.28Å; L86-F90 WeakPolarHBondContact O-CB 3.3Å; L86-F90 PolarHBondContact O-N 3.35Å; C87-F90 PolarHBondContact O-N 3.35Å; F90-R92 PolarHBondContact O-N 3.43Å; F90-F93 WeakPolarHBondContact O-CB 3.42Å; F90-F93 PolarHBondContact O-N 3.17Å; F90-M94 HydrophobicContact CD1-CE 3.97Å; F90-M94 HydrophobicContact CE1-CE 3.78Å; F90-M94 HydrophobicContact CE1-SD 4.24Å; F90-M94 HydrophobicContact CE2-CG 4.42Å; F90-M94 HydrophobicContact CE2-SD 4.33Å; F90-M94 HydrophobicContact CG-CE 4.38Å; F90-M94 HydrophobicContact CZ-CE 4.08Å; F90-M94 HydrophobicContact CZ-SD 3.96Å; F90-M94 PolarHBondContact O-N 2.94Å; F90-M94 VanDerWaalsContact O-N 3.08Å; F90-I142 HydrophobicContact CE1-CG1 4.47Å; F90-E145 HydrophobicContact CD1-CG 4.48Å; F90-E145 HydrophobicContact CE1-CB 4.32Å; F90-E145 HydrophobicContact CE1-CG 3.89Å; F90-E145 HydrophobicContact CE2-CG 4.35Å; F90-E145 HydrophobicContact CZ-CG 3.82Å; F90-M149 HydrophobicContact CB-CE 3.91Å; F90-M149 HydrophobicContact CD1-CE 4.14Å; F90-M149 HydrophobicContact CG-CE 3.96Å
91M96.6Very high93.3Very high2 Ų275.5 Ų75.51%0.0135%0.347CS..Hα-helixtrans-61.8-45.3175.7-64.7-45103.400110.8C87 F93 M94 M95 D113 I114 F138 I142C87-M91 WeakPolarHBondContact O-CG 3.35Å; C87-M91 PolarHBondContact O-N 3.31Å; M91-F93 VanDerWaalsContact C-N 3.29Å; M91-F93 PolarHBondContact O-N 3.14Å; M91-M94 HydrophobicContact CE-CE 3.27Å; M91-M94 PolarHBondContact O-N 3.46Å; M91-M94 VanDerWaalsContact O-N 3.17Å; M91-M94 HydrophobicContact SD-CE 3.35Å; M91-M94 WeakPolarHBondContact SD-CE 3.23Å; M91-M95 HydrophobicContact CB-CE 4.21Å; M91-M95 WeakPolarHBondContact O-CG 3.4Å; M91-M95 PolarHBondContact O-N 2.92Å; M91-D113 HydrophobicContact CG-CB 4.12Å; M91-I114 HydrophobicContact CG-CB 4.28Å; M91-I114 HydrophobicContact SD-CB 3.82Å; M91-I114 HydrophobicContact SD-CD1 3.75Å; M91-I114 HydrophobicContact SD-CG1 4.39Å; M91-I114 HydrophobicContact SD-CG2 4Å; M91-F138 HydrophobicContact SD-CZ 4.23Å; M91-I142 HydrophobicContact CE-CD1 3.19Å; M91-I142 HydrophobicContact CE-CG1 3.75Å; M91-I142 HydrophobicContact SD-CD1 3.54Å; M91-I142 VanDerWaalsContact SD-CD1 3.54Å
92R95.2Very high92.9Very high143 Ų14374.8 Ų74.854%0.5434%0.343SS..Hα-helixtrans-59.2-40.6176.3-177.2178.8168.6-152.8-4.1111.8H88 K89 F90 M94 M95 M96H88-R92 WeakPolarHBondContact O-CB 3.4Å; H88-R92 PolarHBondContact O-N 3.48Å; K89-R92 PolarHBondContact O-N 3.24Å; F90-R92 PolarHBondContact O-N 3.43Å; R92-M94 VanDerWaalsContact C-N 3.33Å; R92-M94 PolarHBondContact O-N 3.21Å; R92-M95 PolarHBondContact O-N 2.99Å; R92-M96 WeakPolarHBondContact O-CG 3.4Å; R92-M96 PolarHBondContact O-N 2.82Å
93F94.8Very high92.8Very high94 Ų9472.3 Ų72.341%0.41233%0.33SS..Hα-helixtrans-60.4-42176.4174.3-87.5000112.6K89 F90 M91 M96 R97K89-F93 WeakPolarHBondContact O-CB 3.35Å; K89-F93 PolarHBondContact O-N 3.32Å; F90-F93 WeakPolarHBondContact O-CB 3.42Å; F90-F93 PolarHBondContact O-N 3.17Å; M91-F93 VanDerWaalsContact C-N 3.29Å; M91-F93 PolarHBondContact O-N 3.14Å; F93-M96 HydrophobicContact CB-CE 4.47Å; F93-R97 VanDerWaalsContact CE2-NH2 3.28Å; F93-R97 PolarHBondContact O-NH1 3.29Å
94M93.9Very high92.8Very high23 Ų2371.8 Ų71.811%0.11333%0.328CS..Hα-helixtrans-67.9-42.9175.9-67.4-170.1-72.800111.9F90 M91 R92 M96 R97 A98 L104 I114 F138F90-M94 HydrophobicContact CD1-CE 3.97Å; F90-M94 HydrophobicContact CE1-CE 3.78Å; F90-M94 HydrophobicContact CE1-SD 4.24Å; F90-M94 HydrophobicContact CE2-CG 4.42Å; F90-M94 HydrophobicContact CE2-SD 4.33Å; F90-M94 HydrophobicContact CG-CE 4.38Å; F90-M94 HydrophobicContact CZ-CE 4.08Å; F90-M94 HydrophobicContact CZ-SD 3.96Å; F90-M94 PolarHBondContact O-N 2.94Å; F90-M94 VanDerWaalsContact O-N 3.08Å; M91-M94 HydrophobicContact CE-CE 3.27Å; M91-M94 PolarHBondContact O-N 3.46Å; M91-M94 VanDerWaalsContact O-N 3.17Å; M91-M94 HydrophobicContact SD-CE 3.35Å; M91-M94 WeakPolarHBondContact SD-CE 3.23Å; R92-M94 VanDerWaalsContact C-N 3.33Å; R92-M94 PolarHBondContact O-N 3.21Å; M94-M96 VanDerWaalsContact C-N 3.3Å; M94-M96 PolarHBondContact O-N 2.88Å; M94-R97 CarbonylContact O-C 3.51Å; M94-R97 WeakPolarHBondContact O-CA 3.34Å; M94-R97 PolarHBondContact O-N 2.86Å; M94-A98 PolarHBondContact O-N 2.95Å; M94-L104 HydrophobicContact CB-CD1 4.21Å; M94-I114 HydrophobicContact CE-CD1 3.86Å; M94-F138 HydrophobicContact CE-CE2 3.66Å; M94-F138 HydrophobicContact CE-CZ 3.64Å; M94-F138 HydrophobicContact SD-CE2 3.65Å; M94-F138 HydrophobicContact SD-CZ 4.25Å
95M93.4Very high92.8Very high27 Ų2769.2 Ų69.213%0.13332%0.315CS..Hα-helixtrans-62.2-33.9177.2-71.2-173.6-71.600113.6M91 R92 R97 A98 L104 R105 P108M91-M95 HydrophobicContact CB-CE 4.21Å; M91-M95 WeakPolarHBondContact O-CG 3.4Å; M91-M95 PolarHBondContact O-N 2.92Å; R92-M95 PolarHBondContact O-N 2.99Å; M95-R97 PolarHBondContact O-N 3.41Å; M95-A98 VanDerWaalsContact O-CB 3.3Å; M95-A98 WeakPolarHBondContact O-CB 3.3Å; M95-A98 PolarHBondContact O-N 3.12Å; M95-L104 VanDerWaalsContact CA-CD2 3.47Å; M95-L104 HydrophobicContact CB-CD2 4.09Å; M95-L104 HydrophobicContact CG-CD2 3.57Å; M95-R105 WeakPolarHBondContact CG-O 3.38Å; M95-P108 HydrophobicContact CE-CG 4.38Å; M95-P108 VanDerWaalsContact SD-CD 3.5Å; M95-P108 HydrophobicContact SD-CG 4.3Å
96M92.3Very high92.7Very high120 Ų12073.6 Ų73.659%0.59133%0.326SS*.THydrogen-bonded Turntrans-65-15.8172.7-72.4-173.9-61.600113.3R92 F93 M94R92-M96 WeakPolarHBondContact O-CG 3.4Å; R92-M96 PolarHBondContact O-N 2.82Å; F93-M96 HydrophobicContact CB-CE 4.47Å; M94-M96 VanDerWaalsContact C-N 3.3Å; M94-M96 PolarHBondContact O-N 2.88Å
97R92.3Very high92.6Very high112 Ų11280.3 Ų80.342%0.42335%0.354SS..THydrogen-bonded Turntrans-109.516.5179-69.6173.6172.568.12112.9F93 M94 M95 E99 N100 F101F93-R97 VanDerWaalsContact CE2-NH2 3.28Å; F93-R97 PolarHBondContact O-NH1 3.29Å; M94-R97 CarbonylContact O-C 3.51Å; M94-R97 WeakPolarHBondContact O-CA 3.34Å; M94-R97 PolarHBondContact O-N 2.86Å; M95-R97 PolarHBondContact O-N 3.41Å; R97-E99 PolarHBondContact O-N 3.07Å; R97-N100 PolarHBondContact O-N 2.83Å; R97-F101 PolarHBondContact O-N 3.42Å
98A87.9Confident92.6Very high10 Ų1081.9 Ų81.98%0.08337%0.365CS..THydrogen-bonded Turntrans-57.9-17.8-179.700000114.2M94 M95 F101 F102 L104 R106M94-A98 PolarHBondContact O-N 2.95Å; M95-A98 VanDerWaalsContact O-CB 3.3Å; M95-A98 WeakPolarHBondContact O-CB 3.3Å; M95-A98 PolarHBondContact O-N 3.12Å; A98-F101 CarbonylContact O-C 3.54Å; A98-F102 PolarHBondContact O-N 3.02Å; A98-L104 HydrophobicContact CB-CB 4.33Å; A98-L104 HydrophobicContact CB-CD2 4.15Å; A98-R106 HydrophobicContact CB-CG 4.1Å
99E82.3Confident92.6Very high143 Ų14377.6 Ų77.667%0.66835%0.347SS*.THydrogen-bonded Turntrans-69.1-39.5172.7-67.5-179.7179.700112.3R97 R106R97-E99 PolarHBondContact O-N 3.07Å; E99-R106 IonicContact OE1-CZ 4Å; E99-R106 IonicContact OE1-NH1 3.26Å; E99-R106 IonicContact OE1-NH2 3.72Å; E99-R106 PolarHBondContact OE1-NH2 3.27Å
100N83.3Confident92.6Very high140 Ų14080.3 Ų80.375%0.74936%0.362SS*.THydrogen-bonded Turntrans-81.7-30.1173-61.6-35.6000111R97 F102R97-N100 PolarHBondContact O-N 2.83Å; N100-F102 PolarHBondContact O-N 2.88Å
101F82.9Confident92.6Very high62 Ų6281 Ų8127%0.27238%0.383SS..SBendtrans-9770.5174.9-149.6-42.4000110.4R97 A98 I103 L104 F116 F134R97-F101 PolarHBondContact O-N 3.42Å; A98-F101 CarbonylContact O-C 3.54Å; F101-I103 HydrophobicContact CD1-CG1 3.68Å; F101-I103 HydrophobicContact CE1-CD1 3.84Å; F101-I103 HydrophobicContact CE1-CG1 3.43Å; F101-I103 VanDerWaalsContact CE1-CG1 3.43Å; F101-I103 PolarHBondContact O-N 3.44Å; F101-L104 HydrophobicContact CB-CB 3.95Å; F101-L104 HydrophobicContact CB-CD1 4.16Å; F101-L104 HydrophobicContact CD1-CB 3.82Å; F101-L104 HydrophobicContact CD1-CD1 4.04Å; F101-L104 HydrophobicContact CD2-CD1 3.85Å; F101-L104 HydrophobicContact CE2-CD1 4.47Å; F101-L104 HydrophobicContact CG-CB 3.93Å; F101-L104 HydrophobicContact CG-CD1 3.69Å; F101-L104 HydrophobicContact CG-CG 4.48Å; F101-L104 WeakPolarHBondContact O-CB 3.37Å; F101-L104 PolarHBondContact O-N 3.24Å; F101-F116 HydrophobicContact CE1-CE1 4.39Å; F101-F134 AromaticContact CE1-CE1 3.81Å; F101-F134 HydrophobicContact CE1-CE1 3.81Å; F101-F134 AromaticContact CE1-CZ 3.83Å; F101-F134 HydrophobicContact CE1-CZ 3.83Å; F101-F134 HydrophobicContact CE2-CE2 4.31Å; F101-F134 AromaticContact CE2-CZ 3.83Å; F101-F134 HydrophobicContact CE2-CZ 3.83Å; F101-F134 HydrophobicContact CZ-CD1 4.48Å; F101-F134 AromaticContact CZ-CE1 3.53Å; F101-F134 HydrophobicContact CZ-CE1 3.53Å; F101-F134 AromaticContact CZ-CE2 3.58Å; F101-F134 HydrophobicContact CZ-CE2 3.58Å; F101-F134 AromaticContact CZ-CZ 3.04Å; F101-F134 HydrophobicContact CZ-CZ 3.04Å
102F86.3Confident92.7Very high109 Ų10982.2 Ų82.248%0.47839%0.387SS..THydrogen-bonded Turntrans-63.1-13.6-164.856.2-90.2000116.4A98 N100 H122 M126A98-F102 PolarHBondContact O-N 3.02Å; N100-F102 PolarHBondContact O-N 2.88Å; F102-H122 AromaticContact CD2-CD2 3.6Å; F102-H122 AromaticContact CD2-NE2 3.65Å; F102-H122 AromaticContact CE2-CD2 3.91Å; F102-M126 HydrophobicContact CD2-CE 4.47Å; F102-M126 HydrophobicContact CE2-CE 3.3Å; F102-M126 HydrophobicContact CE2-SD 3.71Å; F102-M126 HydrophobicContact CZ-CE 3.75Å; F102-M126 HydrophobicContact CZ-SD 3.45Å; F102-M126 WeakPolarHBondContact CZ-SD 3.46Å
103I93.6Very high92.8Very high6 Ų677.2 Ų77.23%0.03137%0.371CS..THydrogen-bonded Turntrans-92.2-0.3171.963.1167.2000113.9F101 F116 L117 I118 H122 M126 L131 F134F101-I103 HydrophobicContact CD1-CG1 3.68Å; F101-I103 HydrophobicContact CE1-CD1 3.84Å; F101-I103 HydrophobicContact CE1-CG1 3.43Å; F101-I103 VanDerWaalsContact CE1-CG1 3.43Å; F101-I103 PolarHBondContact O-N 3.44Å; I103-F116 HydrophobicContact CD1-CD1 4.07Å; I103-F116 HydrophobicContact CD1-CE1 4.49Å; I103-F116 HydrophobicContact CG1-CD1 4.03Å; I103-F116 CarbonylContact O-C 3.55Å; I103-F116 VanDerWaalsContact O-CA 3.23Å; I103-F116 WeakPolarHBondContact O-CA 3.45Å; I103-F116 WeakPolarHBondContact O-CB 3.47Å; I103-L117 PolarHBondContact O-N 2.87Å; I103-I118 HydrophobicContact CB-CG1 4.4Å; I103-H122 HydrophobicContact CG2-CB 4.42Å; I103-M126 HydrophobicContact CG2-CE 4.34Å; I103-L131 HydrophobicContact CD1-CD2 4.18Å; I103-L131 HydrophobicContact CG2-CD2 4.29Å; I103-F134 HydrophobicContact CD1-CD1 3.76Å; I103-F134 HydrophobicContact CD1-CE1 3.91Å
104L95.8Very high92.9Very high11 Ų1172.8 Ų72.86%0.05835%0.352CS..BIsolated β-bridgetrans-96.4133.9-171.7-157142.7000110.4M94 M95 A98 F101 I114 F116M94-L104 HydrophobicContact CB-CD1 4.21Å; M95-L104 VanDerWaalsContact CA-CD2 3.47Å; M95-L104 HydrophobicContact CB-CD2 4.09Å; M95-L104 HydrophobicContact CG-CD2 3.57Å; A98-L104 HydrophobicContact CB-CB 4.33Å; A98-L104 HydrophobicContact CB-CD2 4.15Å; F101-L104 HydrophobicContact CB-CB 3.95Å; F101-L104 HydrophobicContact CB-CD1 4.16Å; F101-L104 HydrophobicContact CD1-CB 3.82Å; F101-L104 HydrophobicContact CD1-CD1 4.04Å; F101-L104 HydrophobicContact CD2-CD1 3.85Å; F101-L104 HydrophobicContact CE2-CD1 4.47Å; F101-L104 HydrophobicContact CG-CB 3.93Å; F101-L104 HydrophobicContact CG-CD1 3.69Å; F101-L104 HydrophobicContact CG-CG 4.48Å; F101-L104 WeakPolarHBondContact O-CB 3.37Å; F101-L104 PolarHBondContact O-N 3.24Å; L104-I114 HydrophobicContact CD1-CD1 4.04Å; L104-I114 HydrophobicContact CD2-CD1 4.49Å; L104-I114 HydrophobicContact CG-CD1 4.36Å; L104-F116 HydrophobicContact CB-CD1 4.47Å; L104-F116 HydrophobicContact CD1-CE1 3.99Å; L104-F116 HydrophobicContact CG-CD1 4.45Å; L104-F116 HydrophobicContact CG-CE1 4.28Å
105R96.6Very high93.1Very high44 Ų4471.7 Ų71.717%0.16635%0.346CS..  trans-79139176.5-66.1179.776.1-118.110.8110E39 M95 K107 S115 L117E39-R105 IonicContact OE1-CZ 3.6Å; E39-R105 VanDerWaalsContact OE1-CZ 3.32Å; E39-R105 IonicContact OE1-NE 3.7Å; E39-R105 PolarHBondContact OE1-NE 3.29Å; E39-R105 IonicContact OE1-NH2 2.76Å; E39-R105 PolarHBondContact OE1-NH2 3.22Å; E39-R105 IonicContact OE2-CZ 2.71Å; E39-R105 IonicContact OE2-NE 2.78Å; E39-R105 IonicContact OE2-NH2 3.58Å; E39-R105 PolarHBondContact OE2-NH2 3.48Å; M95-R105 WeakPolarHBondContact CG-O 3.38Å; R105-K107 WeakPolarHBondContact CB-O 3.47Å; R105-K107 PolarHBondContact NH1-O 3.03Å; R105-K107 PolarHBondContact O-N 2.79Å; R105-K107 VanDerWaalsContact O-N 3.16Å; R105-S115 WeakPolarHBondContact CB-O 3.46Å; R105-S115 PolarHBondContact N-O 2.96Å; R105-L117 HydrophobicContact CG-CB 3.6Å
106R94.8Very high93.4Very high177 Ų17770.4 Ų70.467%0.66834%0.34SS*.SBendtrans-63.2-21.3177.8-64.6-176.9-178.3-126.5-3.7113.8A98 E99A98-R106 HydrophobicContact CB-CG 4.1Å; E99-R106 IonicContact OE1-CZ 4Å; E99-R106 IonicContact OE1-NH1 3.26Å; E99-R106 IonicContact OE1-NH2 3.72Å; E99-R106 PolarHBondContact OE1-NH2 3.27Å
107K95.6Very high93.7Very high162 Ų16266.3 Ų66.370%0.70432%0.32SS*.SBendtrans-139.4139177.3-170.5178.8177.6-176.80108.3R105R105-K107 WeakPolarHBondContact CB-O 3.47Å; R105-K107 PolarHBondContact NH1-O 3.03Å; R105-K107 PolarHBondContact O-N 2.79Å; R105-K107 VanDerWaalsContact O-N 3.16Å
108P97Very high93.9Very high34 Ų3461 Ų6122%0.22130%0.3CS..PPolyproline II helixtrans-74.2165.4176.332.9-31.4000110.5M95 Y112 S115M95-P108 HydrophobicContact CE-CG 4.38Å; M95-P108 VanDerWaalsContact SD-CD 3.5Å; M95-P108 HydrophobicContact SD-CG 4.3Å; P108-Y112 WeakPolarHBondContact CB-O 3.46Å; P108-S115 WeakPolarHBondContact CA-OG 3.35Å
109V97.3Very high94.4Very high31 Ų3161.3 Ų61.319%0.18830%0.302CS..PPolyproline II helixtrans-66.2145164.5175.30000108.9R71 S73 G111 Y112 S115R71-V109 HydrophobicContact CG-CG2 4.43Å; S73-V109 WeakPolarHBondContact OG-CG2 3.34Å; V109-G111 PolarHBondContact O-N 2.77Å; V109-Y112 HydrophobicContact CB-CD2 4.16Å; V109-Y112 HydrophobicContact CG1-CD2 4.01Å; V109-Y112 HydrophobicContact CG1-CE2 4.47Å; V109-Y112 PolarHBondContact O-N 3.37Å; V109-Y112 VanDerWaalsContact O-N 3.08Å; V109-S115 PolarHBondContact N-OG 2.71Å
110E96.8Very high95.1Very high189 Ų18954.6 Ų54.688%0.88327%0.27SS*.THydrogen-bonded Turntrans-57.3133.7177.9-173175-17900111.3Y112E110-Y112 VanDerWaalsContact C-N 3.32Å; E110-Y112 WeakPolarHBondContact O-CD2 3.34Å
111G96.1Very high95.8Very high63 Ų6352 Ų5265%0.64925%0.252SS*.THydrogen-bonded Turntrans80.76.6-175.600000115.2V109V109-G111 PolarHBondContact O-N 2.77Å
112Y98.1Very high96.4Very high27 Ų2750.2 Ų50.211%0.10625%0.245CC..  trans-126.7156.8174.7-65.1-95.8000110.6K60 L62 S73 A75 P108 V109 E110K60-Y112 HydrophobicContact CG-CE1 4.07Å; L62-Y112 HydrophobicContact CB-CE1 3.69Å; L62-Y112 HydrophobicContact CB-CE2 4.16Å; L62-Y112 VanDerWaalsContact CB-CZ 3.46Å; L62-Y112 WeakPolarHBondContact CB-OH 3.47Å; L62-Y112 HydrophobicContact CD2-CE2 3.87Å; S73-Y112 VanDerWaalsContact C-CD1 3.48Å; S73-Y112 WeakPolarHBondContact O-CD1 3.35Å; A75-Y112 HydrophobicContact CB-CD1 4.06Å; A75-Y112 HydrophobicContact CB-CE1 4.44Å; P108-Y112 WeakPolarHBondContact CB-O 3.46Å; V109-Y112 HydrophobicContact CB-CD2 4.16Å; V109-Y112 HydrophobicContact CG1-CD2 4.01Å; V109-Y112 HydrophobicContact CG1-CE2 4.47Å; V109-Y112 PolarHBondContact O-N 3.37Å; V109-Y112 VanDerWaalsContact O-N 3.08Å; E110-Y112 VanDerWaalsContact C-N 3.32Å; E110-Y112 WeakPolarHBondContact O-CD2 3.34Å
113D97.9Very high96.9Very high38 Ų3846.7 Ų46.720%0.20323%0.232CC..SBendtrans-89.5-33.4-173.9-61.7-64.9000112.4I74 A75 V76 Q78 M91I74-D113 PolarHBondContact O-N 2.97Å; A75-D113 WeakPolarHBondContact CA-OD2 2.94Å; V76-D113 HydrophobicContact CG2-CB 4.11Å; V76-D113 PolarHBondContact N-OD2 3.41Å; Q78-D113 PolarHBondContact NE2-OD1 3.07Å; Q78-D113 PolarHBondContact NE2-OD2 3.47Å; M91-D113 HydrophobicContact CG-CB 4.12Å
114I97.8Very high96.9Very high0 Ų051.8 Ų51.80%026%0.256CS..EExtended strand (participates in β ladder)trans-148.6151.2178.3-165.7158.8000111.1S73 I74 M91 M94 L104 F138S73-I114 WeakPolarHBondContact CA-O 3.45Å; I74-I114 HydrophobicContact CB-CG2 4.06Å; I74-I114 HydrophobicContact CD1-CG2 4.45Å; I74-I114 PolarHBondContact N-O 3.39Å; I74-I114 PolarHBondContact O-N 2.89Å; M91-I114 HydrophobicContact CG-CB 4.28Å; M91-I114 HydrophobicContact SD-CB 3.82Å; M91-I114 HydrophobicContact SD-CD1 3.75Å; M91-I114 HydrophobicContact SD-CG1 4.39Å; M91-I114 HydrophobicContact SD-CG2 4Å; M94-I114 HydrophobicContact CE-CD1 3.86Å; L104-I114 HydrophobicContact CD1-CD1 4.04Å; L104-I114 HydrophobicContact CD2-CD1 4.49Å; L104-I114 HydrophobicContact CG-CD1 4.36Å; I114-F138 HydrophobicContact CD1-CZ 3.81Å; I114-F138 HydrophobicContact CG2-CE1 3.86Å; I114-F138 HydrophobicContact CG2-CZ 4.15Å
115S98.3Very high96.9Very high0 Ų058.8 Ų58.80%029%0.288CS..EExtended strand (participates in β ladder)trans-136.8140175.4-57.50000112V72 S73 R105 P108 V109V72-S115 CarbonylContact O-C 3.59Å; V72-S115 WeakPolarHBondContact O-CA 3.37Å; S73-S115 WeakPolarHBondContact CB-OG 3.49Å; S73-S115 PolarHBondContact OG-OG 2.86Å; R105-S115 WeakPolarHBondContact CB-O 3.46Å; R105-S115 PolarHBondContact N-O 2.96Å; P108-S115 WeakPolarHBondContact CA-OG 3.35Å; V109-S115 PolarHBondContact N-OG 2.71Å
116F98.2Very high96.8Very high0 Ų059.1 Ų59.10%029%0.292CS..EExtended strand (participates in β ladder)trans-103148.3169.6-60.2-81000110.2R71 V72 I74 F101 I103 L104 F134 F138R71-F116 WeakPolarHBondContact CA-O 3.5Å; V72-F116 HydrophobicContact CB-CB 4.33Å; V72-F116 PolarHBondContact N-O 2.71Å; V72-F116 PolarHBondContact O-N 2.87Å; I74-F116 HydrophobicContact CD1-CD2 4.19Å; I74-F116 HydrophobicContact CD1-CE2 3.76Å; F101-F116 HydrophobicContact CE1-CE1 4.39Å; I103-F116 HydrophobicContact CD1-CD1 4.07Å; I103-F116 HydrophobicContact CD1-CE1 4.49Å; I103-F116 HydrophobicContact CG1-CD1 4.03Å; I103-F116 CarbonylContact O-C 3.55Å; I103-F116 VanDerWaalsContact O-CA 3.23Å; I103-F116 WeakPolarHBondContact O-CA 3.45Å; I103-F116 WeakPolarHBondContact O-CB 3.47Å; L104-F116 HydrophobicContact CB-CD1 4.47Å; L104-F116 HydrophobicContact CD1-CE1 3.99Å; L104-F116 HydrophobicContact CG-CD1 4.45Å; L104-F116 HydrophobicContact CG-CE1 4.28Å; F116-F134 AromaticContact CE1-CE1 3.87Å; F116-F134 HydrophobicContact CE1-CE1 3.87Å; F116-F134 HydrophobicContact CZ-CE1 4.11Å; F116-F138 AromaticContact CE2-CD1 3.91Å; F116-F138 HydrophobicContact CE2-CD1 3.91Å; F116-F138 HydrophobicContact CE2-CE1 4.07Å; F116-F138 HydrophobicContact CE2-CG 4.38Å; F116-F138 AromaticContact CZ-CD1 3.85Å; F116-F138 HydrophobicContact CZ-CD1 3.85Å; F116-F138 HydrophobicContact CZ-CD2 4.12Å; F116-F138 AromaticContact CZ-CE1 3.99Å; F116-F138 HydrophobicContact CZ-CE1 3.99Å; F116-F138 HydrophobicContact CZ-CE2 4.23Å; F116-F138 AromaticContact CZ-CG 3.92Å; F116-F138 HydrophobicContact CZ-CG 3.92Å; F116-F138 HydrophobicContact CZ-CZ 4.18Å
117L98.2Very high96.9Very high34 Ų3458.9 Ų58.918%0.17829%0.293CS..EExtended strand (participates in β ladder)trans-126.5109170.8177.564.6000108.3P36 V38 E39 I103 R105 T119 H122P36-L117 HydrophobicContact CB-CD1 4.22Å; P36-L117 HydrophobicContact CB-CD2 4.37Å; P36-L117 HydrophobicContact CG-CD2 4.16Å; V38-L117 HydrophobicContact CG1-CD1 3.71Å; E39-L117 HydrophobicContact CG-CD1 4.07Å; E39-L117 HydrophobicContact CG-CD2 3.91Å; I103-L117 PolarHBondContact O-N 2.87Å; R105-L117 HydrophobicContact CG-CB 3.6Å; L117-T119 HydrophobicContact CG-CG2 4.36Å; L117-H122 PolarHBondContact O-CE1 2.99Å
118I98.1Very high96.8Very high0 Ų055.9 Ų55.90%028%0.28CS..EExtended strand (participates in β ladder)trans-104.9128.7178.4-57.6171.2000107.7L20 L22 S69 V70 I103 H122 T123 L131L20-I118 HydrophobicContact CD1-CD1 4.3Å; L20-I118 HydrophobicContact CD2-CB 3.94Å; L20-I118 HydrophobicContact CD2-CD1 3.97Å; L20-I118 HydrophobicContact CD2-CG2 3.58Å; L22-I118 HydrophobicContact CD1-CG2 4.34Å; S69-I118 CarbonylContact C-O 3.53Å; S69-I118 WeakPolarHBondContact CA-O 3.36Å; V70-I118 PolarHBondContact N-O 2.84Å; V70-I118 PolarHBondContact O-N 2.82Å; I103-I118 HydrophobicContact CB-CG1 4.4Å; I118-H122 HydrophobicContact CG2-CB 4.12Å; I118-T123 HydrophobicContact CG2-CG2 4.33Å; I118-L131 HydrophobicContact CG2-CD1 3.89Å
119T98.1Very high96.8Very high18 Ų1859 Ų5911%0.1129%0.291CS..EExtended strand (participates in β ladder)trans-115.8168.9-179.763.10000110.1P36 N68 L117 F121 H122 T123P36-T119 HydrophobicContact CB-CG2 4.32Å; N68-T119 CarbonylContact O-C 3.57Å; N68-T119 WeakPolarHBondContact O-CA 3.35Å; L117-T119 HydrophobicContact CG-CG2 4.36Å; T119-F121 PolarHBondContact O-N 3.43Å; T119-H122 PolarHBondContact N-ND1 3.49Å; T119-H122 VanDerWaalsContact N-ND1 3.14Å; T119-H122 WeakPolarHBondContact O-CB 3.25Å; T119-H122 PolarHBondContact O-N 2.93Å; T119-H122 PolarHBondContact OG1-ND1 3.02Å; T119-T123 PolarHBondContact O-N 2.78Å
120N97.3Very high96.8Very high2 Ų263.5 Ų63.51%0.01131%0.308CS..Hα-helixtrans-53.9-38173.567.3-71.9000112.1L22 N24 N68 H122 T123 E124L22-N120 HydrophobicContact CB-CB 4.22Å; N24-N120 WeakPolarHBondContact CB-ND2 3.37Å; N68-N120 PolarHBondContact O-N 2.86Å; N120-H122 VanDerWaalsContact C-N 3.26Å; N120-H122 PolarHBondContact O-N 2.97Å; N120-T123 WeakPolarHBondContact CA-OG1 3.48Å; N120-T123 CarbonylContact O-C 3.59Å; N120-T123 PolarHBondContact O-N 3.06Å; N120-T123 VanDerWaalsContact O-N 3.07Å; N120-T123 PolarHBondContact O-OG1 3.41Å; N120-E124 PolarHBondContact ND2-OE1 3.44Å; N120-E124 VanDerWaalsContact O-CG 3.28Å; N120-E124 WeakPolarHBondContact O-CG 3.23Å; N120-E124 PolarHBondContact O-N 2.98Å
121F96.8Very high96.8Very high84 Ų8454.8 Ų54.837%0.36827%0.268SS..Hα-helixtrans-59.1-36.8177.9-59.7-61.3000112.5T119 E124 Q125T119-F121 PolarHBondContact O-N 3.43Å; F121-E124 PolarHBondContact O-N 3.2Å; F121-Q125 WeakPolarHBondContact O-CG 3.34Å; F121-Q125 PolarHBondContact O-N 3.31Å
122H96.7Very high96.9Very high26 Ų2652.1 Ų52.112%0.1224%0.239CC..Hα-helixtrans-68.1-40.8176.2-59.4147.8000111.6F102 I103 L117 I118 T119 N120 E124 Q125 M126 L131F102-H122 AromaticContact CD2-CD2 3.6Å; F102-H122 AromaticContact CD2-NE2 3.65Å; F102-H122 AromaticContact CE2-CD2 3.91Å; I103-H122 HydrophobicContact CG2-CB 4.42Å; L117-H122 PolarHBondContact O-CE1 2.99Å; I118-H122 HydrophobicContact CG2-CB 4.12Å; T119-H122 PolarHBondContact N-ND1 3.49Å; T119-H122 VanDerWaalsContact N-ND1 3.14Å; T119-H122 WeakPolarHBondContact O-CB 3.25Å; T119-H122 PolarHBondContact O-N 2.93Å; T119-H122 PolarHBondContact OG1-ND1 3.02Å; N120-H122 VanDerWaalsContact C-N 3.26Å; N120-H122 PolarHBondContact O-N 2.97Å; H122-E124 VanDerWaalsContact C-N 3.33Å; H122-Q125 PolarHBondContact O-N 2.97Å; H122-M126 HydrophobicContact CB-CE 3.6Å; H122-M126 WeakPolarHBondContact O-CB 3.27Å; H122-M126 WeakPolarHBondContact O-CE 3.27Å; H122-M126 PolarHBondContact O-N 3.42Å; H122-L131 HydrophobicContact CB-CD1 4.35Å
123T95.2Very high96.9Very high34 Ų3453.6 Ų53.621%0.20925%0.248CC..Hα-helixtrans-76.3-19.3178.950.50000113.7L22 I118 T119 N120 M126 K128 L131L22-T123 HydrophobicContact CD1-CG2 4.35Å; I118-T123 HydrophobicContact CG2-CG2 4.33Å; T119-T123 PolarHBondContact O-N 2.78Å; N120-T123 WeakPolarHBondContact CA-OG1 3.48Å; N120-T123 CarbonylContact O-C 3.59Å; N120-T123 PolarHBondContact O-N 3.06Å; N120-T123 VanDerWaalsContact O-N 3.07Å; N120-T123 PolarHBondContact O-OG1 3.41Å; T123-M126 CarbonylContact C-O 3.48Å; T123-M126 VanDerWaalsContact O-O 3.07Å; T123-K128 HydrophobicContact CG2-CB 4.38Å; T123-L131 HydrophobicContact CG2-CD1 4.03Å
124E94.9Very high96.8Very high114 Ų11454.6 Ų54.653%0.53325%0.251SS..Hα-helixtrans-76-35.6171.2-73.7163.8-158.100111.6N120 F121 H122N120-E124 PolarHBondContact ND2-OE1 3.44Å; N120-E124 VanDerWaalsContact O-CG 3.28Å; N120-E124 WeakPolarHBondContact O-CG 3.23Å; N120-E124 PolarHBondContact O-N 2.98Å; F121-E124 PolarHBondContact O-N 3.2Å; H122-E124 VanDerWaalsContact C-N 3.33Å
125Q94.8Very high96.8Very high157 Ų15754.6 Ų54.673%0.73425%0.251SS*.Hα-helixtrans-92.2-25.4-177.9-66.31781.300113.9F121 H122F121-Q125 WeakPolarHBondContact O-CG 3.34Å; F121-Q125 PolarHBondContact O-N 3.31Å; H122-Q125 PolarHBondContact O-N 2.97Å
126M94.8Very high96.7Very high52 Ų5254.8 Ų54.826%0.25625%0.252SS..SBendtrans-129.3151.2-177.9-58.3175.3-71.700111.4F102 I103 H122 T123 K128 L131F102-M126 HydrophobicContact CD2-CE 4.47Å; F102-M126 HydrophobicContact CE2-CE 3.3Å; F102-M126 HydrophobicContact CE2-SD 3.71Å; F102-M126 HydrophobicContact CZ-CE 3.75Å; F102-M126 HydrophobicContact CZ-SD 3.45Å; F102-M126 WeakPolarHBondContact CZ-SD 3.46Å; I103-M126 HydrophobicContact CG2-CE 4.34Å; H122-M126 HydrophobicContact CB-CE 3.6Å; H122-M126 WeakPolarHBondContact O-CB 3.27Å; H122-M126 WeakPolarHBondContact O-CE 3.27Å; H122-M126 PolarHBondContact O-N 3.42Å; T123-M126 CarbonylContact C-O 3.48Å; T123-M126 VanDerWaalsContact O-O 3.07Å; M126-K128 PolarHBondContact O-N 3.47Å; M126-L131 HydrophobicContact CE-CD1 4Å; M126-L131 HydrophobicContact CE-CD2 3.49Å; M126-L131 VanDerWaalsContact CE-CD2 3.49Å; M126-L131 HydrophobicContact CE-CG 4.05Å; M126-L131 HydrophobicContact SD-CD2 4Å
127Y96.2Very high96.6Very high171 Ų17159.4 Ų59.467%0.67127%0.274SS*.  trans-65.6123174.3-62.8-64000111.9H129 K130 L131Y127-H129 WeakPolarHBondContact CB-CE1 3.33Å; Y127-H129 AromaticContact CG-CE1 3.73Å; Y127-H129 PolarHBondContact O-N 3.32Å; Y127-H129 VanDerWaalsContact O-N 3.11Å; Y127-K130 WeakPolarHBondContact O-CA 3.16Å; Y127-K130 WeakPolarHBondContact O-CB 3.44Å; Y127-K130 PolarHBondContact O-N 3.48Å; Y127-L131 PolarHBondContact O-N 2.87Å
128K95.3Very high96.6Very high99 Ų9958.8 Ų58.843%0.4327%0.269SS..Hα-helixtrans-52.3-37.3178.872.6177.4-176.1179.50113.9T123 M126 K130 L131 V132T123-K128 HydrophobicContact CG2-CB 4.38Å; M126-K128 PolarHBondContact O-N 3.47Å; K128-K130 VanDerWaalsContact C-N 3.29Å; K128-K130 PolarHBondContact O-N 2.95Å; K128-L131 WeakPolarHBondContact O-CB 3.4Å; K128-L131 PolarHBondContact O-N 3.44Å; K128-V132 WeakPolarHBondContact O-CG2 3.44Å; K128-V132 PolarHBondContact O-N 3.28Å
129H96.2Very high96.4Very high101 Ų10159.3 Ų59.347%0.46827%0.272SS..Hα-helixtrans-67.2-31.7179.666.3-94000111.9Y127 V132 D133Y127-H129 WeakPolarHBondContact CB-CE1 3.33Å; Y127-H129 AromaticContact CG-CE1 3.73Å; Y127-H129 PolarHBondContact O-N 3.32Å; Y127-H129 VanDerWaalsContact O-N 3.11Å; H129-V132 PolarHBondContact O-N 2.85Å; H129-D133 WeakPolarHBondContact O-CB 3.5Å; H129-D133 PolarHBondContact O-N 3.49Å
130K97.4Very high96.2Very high124 Ų12462.3 Ų62.354%0.53929%0.285SS..Hα-helixtrans-71.5-34.3173.4-66-61.1-175.9-177.50112.5Y127 K128 D133 F134Y127-K130 WeakPolarHBondContact O-CA 3.16Å; Y127-K130 WeakPolarHBondContact O-CB 3.44Å; Y127-K130 PolarHBondContact O-N 3.48Å; K128-K130 VanDerWaalsContact C-N 3.29Å; K128-K130 PolarHBondContact O-N 2.95Å; K130-D133 PolarHBondContact O-N 3.48Å; K130-F134 VanDerWaalsContact O-CB 3.28Å; K130-F134 WeakPolarHBondContact O-CB 3.36Å; K130-F134 PolarHBondContact O-N 3.35Å
131L96.6Very high96.1Very high7 Ų765.5 Ų65.54%0.03730%0.299CS..Hα-helixtrans-64-44.6171.3-74175.2000111.6I103 I118 H122 T123 M126 Y127 K128 F134 V135I103-L131 HydrophobicContact CD1-CD2 4.18Å; I103-L131 HydrophobicContact CG2-CD2 4.29Å; I118-L131 HydrophobicContact CG2-CD1 3.89Å; H122-L131 HydrophobicContact CB-CD1 4.35Å; T123-L131 HydrophobicContact CG2-CD1 4.03Å; M126-L131 HydrophobicContact CE-CD1 4Å; M126-L131 HydrophobicContact CE-CD2 3.49Å; M126-L131 VanDerWaalsContact CE-CD2 3.49Å; M126-L131 HydrophobicContact CE-CG 4.05Å; M126-L131 HydrophobicContact SD-CD2 4Å; Y127-L131 PolarHBondContact O-N 2.87Å; K128-L131 WeakPolarHBondContact O-CB 3.4Å; K128-L131 PolarHBondContact O-N 3.44Å; L131-F134 PolarHBondContact O-N 2.86Å; L131-V135 WeakPolarHBondContact O-CG2 3.32Å; L131-V135 PolarHBondContact O-N 3.37Å
132V97.8Very high95.9Very high6 Ų661.8 Ų61.84%0.03628%0.284CS..Hα-helixtrans-60.5-49.8174.4176.50000110.4R13 L16 L20 K128 H129 F134 V135 I136R13-V132 HydrophobicContact CB-CG1 4.49Å; R13-V132 HydrophobicContact CG-CG1 3.87Å; L16-V132 HydrophobicContact CB-CG1 4.3Å; L16-V132 HydrophobicContact CB-CG2 4.14Å; L20-V132 HydrophobicContact CD1-CG2 3.6Å; K128-V132 WeakPolarHBondContact O-CG2 3.44Å; K128-V132 PolarHBondContact O-N 3.28Å; H129-V132 PolarHBondContact O-N 2.85Å; V132-F134 VanDerWaalsContact C-N 3.26Å; V132-F134 PolarHBondContact O-N 3.37Å; V132-V135 PolarHBondContact O-N 3.31Å; V132-I136 HydrophobicContact CG1-CG1 4.42Å; V132-I136 WeakPolarHBondContact O-CG1 3.28Å; V132-I136 PolarHBondContact O-N 3.24Å
133D97.6Very high95.6Very high58 Ų5862.6 Ų62.631%0.3129%0.289SS..Hα-helixtrans-56.2-43177.3-73.7-23.7000111.7R13 H129 K130 I136 H137R13-D133 IonicContact CZ-OD1 3.43Å; R13-D133 IonicContact NH1-OD1 2.67Å; R13-D133 PolarHBondContact NH1-OD1 2.84Å; R13-D133 IonicContact NH2-OD1 3.28Å; R13-D133 PolarHBondContact NH2-OD1 3.44Å; H129-D133 WeakPolarHBondContact O-CB 3.5Å; H129-D133 PolarHBondContact O-N 3.49Å; K130-D133 PolarHBondContact O-N 3.48Å; D133-I136 PolarHBondContact O-N 3.42Å; D133-H137 WeakPolarHBondContact O-CB 3.44Å; D133-H137 PolarHBondContact O-N 2.77Å
134F96.6Very high95.4Very high59 Ų5966 Ų6626%0.25930%0.301SS..Hα-helixtrans-60.3-48.2177.3171.4-93.1000112.1F101 I103 F116 K130 L131 V132 I136 H137 F138F101-F134 AromaticContact CE1-CE1 3.81Å; F101-F134 HydrophobicContact CE1-CE1 3.81Å; F101-F134 AromaticContact CE1-CZ 3.83Å; F101-F134 HydrophobicContact CE1-CZ 3.83Å; F101-F134 HydrophobicContact CE2-CE2 4.31Å; F101-F134 AromaticContact CE2-CZ 3.83Å; F101-F134 HydrophobicContact CE2-CZ 3.83Å; F101-F134 HydrophobicContact CZ-CD1 4.48Å; F101-F134 AromaticContact CZ-CE1 3.53Å; F101-F134 HydrophobicContact CZ-CE1 3.53Å; F101-F134 AromaticContact CZ-CE2 3.58Å; F101-F134 HydrophobicContact CZ-CE2 3.58Å; F101-F134 AromaticContact CZ-CZ 3.04Å; F101-F134 HydrophobicContact CZ-CZ 3.04Å; I103-F134 HydrophobicContact CD1-CD1 3.76Å; I103-F134 HydrophobicContact CD1-CE1 3.91Å; F116-F134 AromaticContact CE1-CE1 3.87Å; F116-F134 HydrophobicContact CE1-CE1 3.87Å; F116-F134 HydrophobicContact CZ-CE1 4.11Å; K130-F134 VanDerWaalsContact O-CB 3.28Å; K130-F134 WeakPolarHBondContact O-CB 3.36Å; K130-F134 PolarHBondContact O-N 3.35Å; L131-F134 PolarHBondContact O-N 2.86Å; V132-F134 VanDerWaalsContact C-N 3.26Å; V132-F134 PolarHBondContact O-N 3.37Å; F134-I136 VanDerWaalsContact C-N 3.33Å; F134-I136 PolarHBondContact O-N 3.06Å; F134-H137 PolarHBondContact O-N 3.03Å; F134-F138 HydrophobicContact CE1-CB 4.33Å; F134-F138 HydrophobicContact CZ-CB 4.07Å; F134-F138 HydrophobicContact CZ-CD2 4.19Å; F134-F138 HydrophobicContact CZ-CG 4.46Å; F134-F138 WeakPolarHBondContact O-CB 3.21Å; F134-F138 PolarHBondContact O-N 3.04Å
135V97Very high95.5Very high1 Ų164.5 Ų64.51%0.00629%0.293CS..Hα-helixtrans-63.2-41.4180174.40000111L16 V72 L131 V132 F138 M139L16-V135 HydrophobicContact CD1-CB 4.03Å; L16-V135 HydrophobicContact CD1-CG1 3.7Å; V72-V135 HydrophobicContact CG1-CG1 4.36Å; L131-V135 WeakPolarHBondContact O-CG2 3.32Å; L131-V135 PolarHBondContact O-N 3.37Å; V132-V135 PolarHBondContact O-N 3.31Å; V135-F138 WeakPolarHBondContact O-CB 3.44Å; V135-F138 PolarHBondContact O-N 2.82Å; V135-M139 HydrophobicContact CG1-SD 4.46Å; V135-M139 WeakPolarHBondContact O-CG 3.22Å; V135-M139 PolarHBondContact O-N 3.15Å
136I97.6Very high95.5Very high3 Ų357.1 Ų57.12%0.01526%0.259CS..Hα-helixtrans-65.7-44.9176.9-61.9-58.5000111L9 V12 R13 L16 V132 D133 F134 F138 M139 E140L9-I136 HydrophobicContact CB-CG2 4.4Å; V12-I136 HydrophobicContact CB-CD1 4.16Å; V12-I136 HydrophobicContact CG1-CD1 3.89Å; 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 3.28Å; V132-I136 PolarHBondContact O-N 3.24Å; D133-I136 PolarHBondContact O-N 3.42Å; F134-I136 VanDerWaalsContact C-N 3.33Å; F134-I136 PolarHBondContact O-N 3.06Å; I136-F138 VanDerWaalsContact C-N 3.32Å; I136-F138 PolarHBondContact O-N 2.78Å; I136-M139 WeakPolarHBondContact O-CB 3.23Å; I136-M139 PolarHBondContact O-N 3.17Å; I136-M139 VanDerWaalsContact O-N 3.15Å; I136-E140 WeakPolarHBondContact O-CG 3.14Å; I136-E140 PolarHBondContact O-N 3.44Å
137H96.6Very high95.4Very high98 Ų9857.4 Ų57.445%0.45427%0.266SS..Hα-helixtrans-60.7-43.1176.8-17958.4000111.6D133 F134 M139 E140 E141D133-H137 WeakPolarHBondContact O-CB 3.44Å; D133-H137 PolarHBondContact O-N 2.77Å; F134-H137 PolarHBondContact O-N 3.03Å; H137-M139 VanDerWaalsContact C-N 3.3Å; H137-M139 PolarHBondContact O-N 3.4Å; H137-E140 PolarHBondContact O-N 3.44Å; H137-E141 WeakPolarHBondContact CE1-CG 3.38Å; H137-E141 IonicContact CE1-OE1 2.85Å; H137-E141 WeakPolarHBondContact O-CG 3.25Å; H137-E141 PolarHBondContact O-N 3.44Å
138F96.3Very high95.5Very high20 Ų2054.5 Ų54.59%0.08826%0.259CS..Hα-helixtrans-56.4-44.8174.1178-89.2000111.8I74 M91 M94 I114 F116 F134 V135 I136 E140 E141 I142I74-F138 HydrophobicContact CD1-CD1 4.12Å; I74-F138 HydrophobicContact CD1-CE1 4.27Å; M91-F138 HydrophobicContact SD-CZ 4.23Å; M94-F138 HydrophobicContact CE-CE2 3.66Å; M94-F138 HydrophobicContact CE-CZ 3.64Å; M94-F138 HydrophobicContact SD-CE2 3.65Å; M94-F138 HydrophobicContact SD-CZ 4.25Å; I114-F138 HydrophobicContact CD1-CZ 3.81Å; I114-F138 HydrophobicContact CG2-CE1 3.86Å; I114-F138 HydrophobicContact CG2-CZ 4.15Å; F116-F138 AromaticContact CE2-CD1 3.91Å; F116-F138 HydrophobicContact CE2-CD1 3.91Å; F116-F138 HydrophobicContact CE2-CE1 4.07Å; F116-F138 HydrophobicContact CE2-CG 4.38Å; F116-F138 AromaticContact CZ-CD1 3.85Å; F116-F138 HydrophobicContact CZ-CD1 3.85Å; F116-F138 HydrophobicContact CZ-CD2 4.12Å; F116-F138 AromaticContact CZ-CE1 3.99Å; F116-F138 HydrophobicContact CZ-CE1 3.99Å; F116-F138 HydrophobicContact CZ-CE2 4.23Å; F116-F138 AromaticContact CZ-CG 3.92Å; F116-F138 HydrophobicContact CZ-CG 3.92Å; F116-F138 HydrophobicContact CZ-CZ 4.18Å; F134-F138 HydrophobicContact CE1-CB 4.33Å; F134-F138 HydrophobicContact CZ-CB 4.07Å; F134-F138 HydrophobicContact CZ-CD2 4.19Å; F134-F138 HydrophobicContact CZ-CG 4.46Å; F134-F138 WeakPolarHBondContact O-CB 3.21Å; F134-F138 PolarHBondContact O-N 3.04Å; V135-F138 WeakPolarHBondContact O-CB 3.44Å; V135-F138 PolarHBondContact O-N 2.82Å; I136-F138 VanDerWaalsContact C-N 3.32Å; I136-F138 PolarHBondContact O-N 2.78Å; F138-E140 VanDerWaalsContact C-N 3.29Å; F138-E140 PolarHBondContact O-N 3.07Å; F138-E141 PolarHBondContact O-N 3.15Å; F138-I142 HydrophobicContact CE1-CD1 3.73Å; F138-I142 HydrophobicContact CZ-CD1 3.74Å; F138-I142 WeakPolarHBondContact O-CB 3.5Å; F138-I142 WeakPolarHBondContact O-CG2 3.48Å; F138-I142 PolarHBondContact O-N 3.4Å; F138-I142 VanDerWaalsContact O-N 3.07Å
139M95.4Very high95.5Very high12 Ų1251.8 Ų51.86%0.05925%0.248CC..Hα-helixtrans-65.4-29.1176.4-70.3176.768.100113.5Y8 L9 V12 V61 I74 V135 I136 H137 I142Y8-M139 HydrophobicContact CD1-CE 4.47Å; Y8-M139 HydrophobicContact CE1-CE 3.57Å; L9-M139 HydrophobicContact CD2-CB 3.95Å; L9-M139 HydrophobicContact CD2-CE 3.82Å; L9-M139 HydrophobicContact CD2-SD 4.31Å; V12-M139 HydrophobicContact CG1-CE 4.46Å; V12-M139 HydrophobicContact CG1-SD 3.94Å; V12-M139 HydrophobicContact CG2-CE 4.29Å; V61-M139 HydrophobicContact CG2-CE 3.38Å; V61-M139 HydrophobicContact CG2-SD 3.95Å; I74-M139 HydrophobicContact CD1-CG 3.75Å; I74-M139 HydrophobicContact CD1-SD 4.24Å; I74-M139 HydrophobicContact CG2-CG 4.47Å; V135-M139 HydrophobicContact CG1-SD 4.46Å; V135-M139 WeakPolarHBondContact O-CG 3.22Å; V135-M139 PolarHBondContact O-N 3.15Å; I136-M139 WeakPolarHBondContact O-CB 3.23Å; I136-M139 PolarHBondContact O-N 3.17Å; I136-M139 VanDerWaalsContact O-N 3.15Å; H137-M139 VanDerWaalsContact C-N 3.3Å; H137-M139 PolarHBondContact O-N 3.4Å; M139-I142 WeakPolarHBondContact O-CG2 3.43Å
140E92.8Very high95.6Very high80 Ų8049 Ų4937%0.37424%0.235SC..Hα-helixtrans-78.1-38.3177.5-73.5176.9154.500112.7L9 I136 H137 F138L9-E140 HydrophobicContact CD1-CG 3.43Å; L9-E140 VanDerWaalsContact CD1-CG 3.43Å; L9-E140 WeakPolarHBondContact CD1-OE1 3.41Å; I136-E140 WeakPolarHBondContact O-CG 3.14Å; I136-E140 PolarHBondContact O-N 3.44Å; H137-E140 PolarHBondContact O-N 3.44Å; F138-E140 VanDerWaalsContact C-N 3.29Å; F138-E140 PolarHBondContact O-N 3.07Å
141E95.1Very high95.5Very high69 Ų6948.8 Ų48.832%0.32224%0.239SC..Hα-helixtrans-85.1-28.7-174.6-64.2-52.5122.700113.1H137 F138 D143 K144 E145H137-E141 WeakPolarHBondContact CE1-CG 3.38Å; H137-E141 IonicContact CE1-OE1 2.85Å; H137-E141 WeakPolarHBondContact O-CG 3.25Å; H137-E141 PolarHBondContact O-N 3.44Å; F138-E141 PolarHBondContact O-N 3.15Å; E141-D143 VanDerWaalsContact C-N 3.31Å; E141-D143 PolarHBondContact O-N 3.07Å; E141-K144 WeakPolarHBondContact O-CB 3.43Å; E141-K144 PolarHBondContact O-N 3.3Å; E141-K144 VanDerWaalsContact O-N 3.07Å; E141-K144 IonicContact OE1-NZ 3.8Å; E141-K144 PolarHBondContact OE1-NZ 2.83Å; E141-K144 IonicContact OE2-NZ 2.71Å; E141-E145 PolarHBondContact O-N 3.04Å
142I94.2Very high95.6Very high7 Ų751.8 Ų51.84%0.03626%0.26CS..Hα-helixtrans-58.1-41.1-177-168.3165.2000113.2V76 F90 M91 F138 M139 K144 E145 I146V76-I142 HydrophobicContact CB-CD1 4.44Å; V76-I142 HydrophobicContact CG1-CD1 4.07Å; V76-I142 HydrophobicContact CG1-CG1 4.11Å; V76-I142 HydrophobicContact CG1-CG2 4.26Å; V76-I142 HydrophobicContact CG2-CD1 3.51Å; V76-I142 HydrophobicContact CG2-CG1 4.42Å; F90-I142 HydrophobicContact CE1-CG1 4.47Å; M91-I142 HydrophobicContact CE-CD1 3.19Å; M91-I142 HydrophobicContact CE-CG1 3.75Å; M91-I142 HydrophobicContact SD-CD1 3.54Å; M91-I142 VanDerWaalsContact SD-CD1 3.54Å; F138-I142 HydrophobicContact CE1-CD1 3.73Å; F138-I142 HydrophobicContact CZ-CD1 3.74Å; F138-I142 WeakPolarHBondContact O-CB 3.5Å; F138-I142 WeakPolarHBondContact O-CG2 3.48Å; F138-I142 PolarHBondContact O-N 3.4Å; F138-I142 VanDerWaalsContact O-N 3.07Å; M139-I142 WeakPolarHBondContact O-CG2 3.43Å; I142-K144 VanDerWaalsContact C-N 3.33Å; I142-K144 PolarHBondContact O-N 3.42Å; I142-E145 PolarHBondContact O-N 3.47Å; I142-I146 HydrophobicContact CG1-CD1 3.98Å; I142-I146 VanDerWaalsContact O-CG1 3.3Å; I142-I146 WeakPolarHBondContact O-CG1 3.46Å; I142-I146 PolarHBondContact O-N 2.85Å
143D88.7Confident95.6Very high43 Ų4354.6 Ų54.623%0.2328%0.278CS..Hα-helixtrans-67-36.8178.9-80-4.4000111.3E141 S147E141-D143 VanDerWaalsContact C-N 3.31Å; E141-D143 PolarHBondContact O-N 3.07Å; D143-S147 WeakPolarHBondContact O-CB 3.28Å; D143-S147 PolarHBondContact O-N 3.31Å; D143-S147 VanDerWaalsContact O-N 3.13Å; D143-S147 PolarHBondContact O-OG 3.44Å
144K92.3Very high95.6Very high106 Ų10655.7 Ų55.746%0.46128%0.283SS..Hα-helixtrans-69-48.5177.5-61.3177.3-168.7162.90110.3E141 I142 I146 S147 E148E141-K144 WeakPolarHBondContact O-CB 3.43Å; E141-K144 PolarHBondContact O-N 3.3Å; E141-K144 VanDerWaalsContact O-N 3.07Å; E141-K144 IonicContact OE1-NZ 3.8Å; E141-K144 PolarHBondContact OE1-NZ 2.83Å; E141-K144 IonicContact OE2-NZ 2.71Å; I142-K144 VanDerWaalsContact C-N 3.33Å; I142-K144 PolarHBondContact O-N 3.42Å; K144-I146 VanDerWaalsContact C-N 3.34Å; K144-I146 PolarHBondContact O-N 2.96Å; K144-S147 CarbonylContact O-C 3.46Å; K144-S147 WeakPolarHBondContact O-CA 3.22Å; K144-S147 WeakPolarHBondContact O-CB 3.18Å; K144-S147 PolarHBondContact O-N 2.83Å; K144-S147 VanDerWaalsContact O-N 3.07Å; K144-E148 WeakPolarHBondContact O-CG 3.18Å; K144-E148 PolarHBondContact O-N 2.87Å
145E96.1Very high95.6Very high81 Ų8155 Ų5538%0.37929%0.288SS..Hα-helixtrans-59.4-44179.9-171.264.1-149.300111.3F90 E141 I142 S147 E148 M149F90-E145 HydrophobicContact CD1-CG 4.48Å; F90-E145 HydrophobicContact CE1-CB 4.32Å; F90-E145 HydrophobicContact CE1-CG 3.89Å; F90-E145 HydrophobicContact CE2-CG 4.35Å; F90-E145 HydrophobicContact CZ-CG 3.82Å; E141-E145 PolarHBondContact O-N 3.04Å; I142-E145 PolarHBondContact O-N 3.47Å; E145-S147 VanDerWaalsContact C-N 3.33Å; E145-S147 PolarHBondContact O-N 3.28Å; E145-E148 PolarHBondContact O-N 3.49Å; E145-M149 HydrophobicContact CG-CE 4.21Å; E145-M149 WeakPolarHBondContact O-CB 3.35Å; E145-M149 WeakPolarHBondContact O-CG 3.47Å; E145-M149 PolarHBondContact O-N 3.34Å
146I95.1Very high95.7Very high3 Ų363.7 Ų63.72%0.01532%0.321CS..Hα-helixtrans-62.6-42.1175.7-69.2166.5000111.3V76 E83 C87 I142 K144 M149 K150V76-I146 HydrophobicContact CG1-CD1 3.77Å; E83-I146 HydrophobicContact CB-CG2 4.1Å; E83-I146 HydrophobicContact CG-CG2 3.87Å; C87-I146 HydrophobicContact CB-CD1 3.77Å; I142-I146 HydrophobicContact CG1-CD1 3.98Å; I142-I146 VanDerWaalsContact O-CG1 3.3Å; I142-I146 WeakPolarHBondContact O-CG1 3.46Å; I142-I146 PolarHBondContact O-N 2.85Å; K144-I146 VanDerWaalsContact C-N 3.34Å; K144-I146 PolarHBondContact O-N 2.96Å; I146-M149 HydrophobicContact CB-CE 4.37Å; I146-M149 HydrophobicContact CG1-CE 3.91Å; I146-M149 PolarHBondContact O-N 3.44Å; I146-K150 WeakPolarHBondContact O-CB 3.43Å; I146-K150 PolarHBondContact O-N 3.42Å
147S93.4Very high95.7Very high58 Ų5866.2 Ų66.241%0.40634%0.343SS..Hα-helixtrans-64-42.4177.5-59.70000111.7D143 K144 E145 K150 L151D143-S147 WeakPolarHBondContact O-CB 3.28Å; D143-S147 PolarHBondContact O-N 3.31Å; D143-S147 VanDerWaalsContact O-N 3.13Å; D143-S147 PolarHBondContact O-OG 3.44Å; K144-S147 CarbonylContact O-C 3.46Å; K144-S147 WeakPolarHBondContact O-CA 3.22Å; K144-S147 WeakPolarHBondContact O-CB 3.18Å; K144-S147 PolarHBondContact O-N 2.83Å; K144-S147 VanDerWaalsContact O-N 3.07Å; E145-S147 VanDerWaalsContact C-N 3.33Å; E145-S147 PolarHBondContact O-N 3.28Å; S147-K150 WeakPolarHBondContact O-CB 3.42Å; S147-K150 PolarHBondContact O-N 3.07Å; S147-L151 WeakPolarHBondContact O-CG 3.33Å; S147-L151 PolarHBondContact O-N 2.94Å
148E96.6Very high95.8Very high110 Ų11069.2 Ų69.251%0.51435%0.35SS..Hα-helixtrans-66.9-41.1177.2-73-179.1-169.200112.2K144 E145 K150 L151 S152K144-E148 WeakPolarHBondContact O-CG 3.18Å; K144-E148 PolarHBondContact O-N 2.87Å; E145-E148 PolarHBondContact O-N 3.49Å; E148-K150 VanDerWaalsContact C-N 3.32Å; E148-K150 PolarHBondContact O-N 2.91Å; E148-L151 PolarHBondContact O-N 3.01Å; E148-S152 WeakPolarHBondContact O-CB 3.34Å; E148-S152 PolarHBondContact O-N 3.21Å; E148-S152 PolarHBondContact O-OG 2.98Å
149M97.1Very high95.8Very high42 Ų4273.4 Ų73.421%0.20737%0.372CS..Hα-helixtrans-59.8-42.8173.3-76.9-170.7-71.100111.4L86 F90 E145 I146 S152 V153L86-M149 HydrophobicContact CB-CE 4.43Å; L86-M149 HydrophobicContact CD1-CB 4.02Å; L86-M149 HydrophobicContact CD2-CB 4.19Å; F90-M149 HydrophobicContact CB-CE 3.91Å; F90-M149 HydrophobicContact CD1-CE 4.14Å; F90-M149 HydrophobicContact CG-CE 3.96Å; E145-M149 HydrophobicContact CG-CE 4.21Å; E145-M149 WeakPolarHBondContact O-CB 3.35Å; E145-M149 WeakPolarHBondContact O-CG 3.47Å; E145-M149 PolarHBondContact O-N 3.34Å; I146-M149 HydrophobicContact CB-CE 4.37Å; I146-M149 HydrophobicContact CG1-CE 3.91Å; I146-M149 PolarHBondContact O-N 3.44Å; M149-S152 WeakPolarHBondContact O-CB 3.43Å; M149-S152 PolarHBondContact O-N 2.91Å; M149-V153 WeakPolarHBondContact O-CG2 3.47Å; M149-V153 PolarHBondContact O-N 3.27Å
150K96.7Very high96Very high43 Ų4377.3 Ų77.319%0.18740%0.396CS..Hα-helixtrans-63.3-46.4177.8-174.8-172.7-169.1173.50112D80 I82 E83 L86 I146 S147 E148 S152 V153 N154D80-K150 IonicContact OD1-NZ 2.63Å; D80-K150 WeakPolarHBondContact OD2-CE 3.37Å; D80-K150 IonicContact OD2-NZ 2.77Å; D80-K150 PolarHBondContact OD2-NZ 3.32Å; I82-K150 HydrophobicContact CG2-CD 4.2Å; I82-K150 HydrophobicContact CG2-CG 4.08Å; E83-K150 HydrophobicContact CG-CD 3.96Å; E83-K150 IonicContact OE1-NZ 2.77Å; E83-K150 PolarHBondContact OE1-NZ 2.94Å; L86-K150 HydrophobicContact CD1-CB 3.92Å; I146-K150 WeakPolarHBondContact O-CB 3.43Å; I146-K150 PolarHBondContact O-N 3.42Å; S147-K150 WeakPolarHBondContact O-CB 3.42Å; S147-K150 PolarHBondContact O-N 3.07Å; E148-K150 VanDerWaalsContact C-N 3.32Å; E148-K150 PolarHBondContact O-N 2.91Å; K150-S152 VanDerWaalsContact C-N 3.29Å; K150-S152 PolarHBondContact O-N 3.37Å; K150-V153 PolarHBondContact O-N 2.93Å; K150-N154 PolarHBondContact O-N 2.89Å
151L97.1Very high96.2Very high119 Ų11976 Ų7662%0.62340%0.399SS*.Hα-helixtrans-59-43.2174.7-70.5173.5000111.1S147 E148 V153 N154 A155S147-L151 WeakPolarHBondContact O-CG 3.33Å; S147-L151 PolarHBondContact O-N 2.94Å; E148-L151 PolarHBondContact O-N 3.01Å; L151-V153 PolarHBondContact O-N 3.44Å; L151-N154 PolarHBondContact O-N 3.47Å; L151-A155 WeakPolarHBondContact O-CB 3.19Å; L151-A155 PolarHBondContact O-N 3.4Å
152S97.9Very high96.3Very high70 Ų7077.5 Ų77.549%0.4941%0.406SS..Hα-helixtrans-61.5-43.1177.9-61.90000112.8E148 M149 K150 R156E148-S152 WeakPolarHBondContact O-CB 3.34Å; E148-S152 PolarHBondContact O-N 3.21Å; E148-S152 PolarHBondContact O-OG 2.98Å; M149-S152 WeakPolarHBondContact O-CB 3.43Å; M149-S152 PolarHBondContact O-N 2.91Å; K150-S152 VanDerWaalsContact C-N 3.29Å; K150-S152 PolarHBondContact O-N 3.37Å; S152-R156 WeakPolarHBondContact O-CB 3.39Å; S152-R156 PolarHBondContact O-N 3.28Å
153V97.4Very high96.5Very high65 Ų6581.8 Ų81.839%0.39443%0.426SS..Hα-helixtrans-63.2-47.2176.5170.40000110.7L86 M149 K150 L151 R156 A157L86-V153 HydrophobicContact CD2-CG2 4.48Å; M149-V153 WeakPolarHBondContact O-CG2 3.47Å; M149-V153 PolarHBondContact O-N 3.27Å; K150-V153 PolarHBondContact O-N 2.93Å; L151-V153 PolarHBondContact O-N 3.44Å; V153-R156 PolarHBondContact O-N 2.67Å; V153-A157 WeakPolarHBondContact O-CB 3.28Å; V153-A157 PolarHBondContact O-N 3.33Å
154N96.9Very high96.9Very high81 Ų8185.9 Ų85.943%0.43344%0.442SS..Hα-helixtrans-64.6-43.1-179.3-73.2-19.3000112.5K150 L151 A157 R158K150-N154 PolarHBondContact O-N 2.89Å; L151-N154 PolarHBondContact O-N 3.47Å; N154-A157 PolarHBondContact O-N 3.2Å; N154-R158 PolarHBondContact O-N 2.95Å; N154-R158 VanDerWaalsContact O-N 3.08Å
155A98.1Very high97.1Very high44 Ų4486.4 Ų86.436%0.36445%0.45SS..Hα-helixtrans-61.6-45176.800000111.2L151 R158 I159L151-A155 WeakPolarHBondContact O-CB 3.19Å; L151-A155 PolarHBondContact O-N 3.4Å; A155-R158 PolarHBondContact O-N 3.07Å; A155-I159 WeakPolarHBondContact O-CG1 3.42Å; A155-I159 PolarHBondContact O-N 3.21Å
156R97.9Very high97.1Very high183 Ų18389.2 Ų89.269%0.69146%0.46SS*.Hα-helixtrans-64.5-42176.9-173.9174.7-66.3164.21.6112.2S152 V153 R158 I159 V160S152-R156 WeakPolarHBondContact O-CB 3.39Å; S152-R156 PolarHBondContact O-N 3.28Å; V153-R156 PolarHBondContact O-N 2.67Å; R156-R158 VanDerWaalsContact C-N 3.29Å; R156-R158 PolarHBondContact O-N 3.26Å; R156-I159 PolarHBondContact O-N 2.87Å; R156-V160 HydrophobicContact CG-CG2 4.42Å; R156-V160 VanDerWaalsContact O-CG2 3.32Å; R156-V160 WeakPolarHBondContact O-CG2 3.45Å; R156-V160 PolarHBondContact O-N 3.41Å
157A97.9Very high96.8Very high57 Ų5795.1 Ų95.147%0.47149%0.492SS..Hα-helixtrans-59.8-40.2177.500000111.9V153 N154 V160 A161V153-A157 WeakPolarHBondContact O-CB 3.28Å; V153-A157 PolarHBondContact O-N 3.33Å; N154-A157 PolarHBondContact O-N 3.2Å; A157-V160 PolarHBondContact O-N 2.87Å; A157-A161 WeakPolarHBondContact O-CB 3.43Å; A157-A161 PolarHBondContact O-N 3.33Å
158R97.9Very high96.2Very high161 Ų161101.8 Ų101.861%0.60851%0.514SS*.Hα-helixtrans-61.2-49.6174.9-174.1-175.6-59.9138.62.9112N154 A155 R156 V160 A161 E162N154-R158 PolarHBondContact O-N 2.95Å; N154-R158 VanDerWaalsContact O-N 3.08Å; A155-R158 PolarHBondContact O-N 3.07Å; R156-R158 VanDerWaalsContact C-N 3.29Å; R156-R158 PolarHBondContact O-N 3.26Å; R158-V160 VanDerWaalsContact C-N 3.3Å; R158-V160 PolarHBondContact O-N 3.36Å; R158-A161 PolarHBondContact O-N 3.14Å; R158-E162 WeakPolarHBondContact CD-OE1 3.48Å; R158-E162 HydrophobicContact CG-CG 4.42Å; R158-E162 VanDerWaalsContact CG-OE1 3.31Å; R158-E162 WeakPolarHBondContact CG-OE1 3.39Å; R158-E162 WeakPolarHBondContact O-CG 3.33Å; R158-E162 PolarHBondContact O-N 3.33Å
159I98Very high96.2Very high107 Ų107101.4 Ų101.455%0.54951%0.514SS..Hα-helixtrans-58.7-44.6179.1-65.8165.9000110.6A155 R156 A161 E162 E163A155-I159 WeakPolarHBondContact O-CG1 3.42Å; A155-I159 PolarHBondContact O-N 3.21Å; R156-I159 PolarHBondContact O-N 2.87Å; I159-A161 VanDerWaalsContact C-N 3.34Å; I159-A161 PolarHBondContact O-N 3.31Å; I159-E162 PolarHBondContact O-N 3.15Å; I159-E163 WeakPolarHBondContact O-CB 3.45Å; I159-E163 PolarHBondContact O-N 2.75Å
160V98.3Very high96.2Very high94 Ų94104.5 Ų104.557%0.5753%0.53SS*.Hα-helixtrans-62-42.5178.3171.60000111.3R156 A157 R158 F164R156-V160 HydrophobicContact CG-CG2 4.42Å; R156-V160 VanDerWaalsContact O-CG2 3.32Å; R156-V160 WeakPolarHBondContact O-CG2 3.45Å; R156-V160 PolarHBondContact O-N 3.41Å; A157-V160 PolarHBondContact O-N 2.87Å; R158-V160 VanDerWaalsContact C-N 3.3Å; R158-V160 PolarHBondContact O-N 3.36Å; V160-F164 WeakPolarHBondContact O-CB 3.38Å; V160-F164 PolarHBondContact O-N 3.11Å
161A98.1Very high96.2Very high53 Ų53107.9 Ų107.944%0.43855%0.549SS..Hα-helixtrans-67-44.8178.400000112.4A157 R158 I159 E163 F164 L165A157-A161 WeakPolarHBondContact O-CB 3.43Å; A157-A161 PolarHBondContact O-N 3.33Å; R158-A161 PolarHBondContact O-N 3.14Å; I159-A161 VanDerWaalsContact C-N 3.34Å; I159-A161 PolarHBondContact O-N 3.31Å; A161-E163 VanDerWaalsContact C-N 3.35Å; A161-E163 PolarHBondContact O-N 2.88Å; A161-F164 PolarHBondContact O-N 3.49Å; A161-L165 WeakPolarHBondContact O-CG 3.38Å; A161-L165 PolarHBondContact O-N 3.07Å
162E97.6Very high96.1Very high101 Ų101107.3 Ų107.347%0.47255%0.545SS..Hα-helixtrans-60.4-45176.3-74.1173.8-169.300111.4R158 I159 L165 K166R158-E162 WeakPolarHBondContact CD-OE1 3.48Å; R158-E162 HydrophobicContact CG-CG 4.42Å; R158-E162 VanDerWaalsContact CG-OE1 3.31Å; R158-E162 WeakPolarHBondContact CG-OE1 3.39Å; R158-E162 WeakPolarHBondContact O-CG 3.33Å; R158-E162 PolarHBondContact O-N 3.33Å; I159-E162 PolarHBondContact O-N 3.15Å; E162-L165 PolarHBondContact O-N 3.24Å; E162-K166 WeakPolarHBondContact O-CG 3.28Å; E162-K166 PolarHBondContact O-N 2.84Å; E162-K166 VanDerWaalsContact O-N 3.1Å
163E97.6Very high96Very high97 Ų97109.6 Ų109.645%0.45355%0.548SS..Hα-helixtrans-67.1-38.6-179.9-164.660.8-160.400112.2I159 A161 K166 N167I159-E163 WeakPolarHBondContact O-CB 3.45Å; I159-E163 PolarHBondContact O-N 2.75Å; A161-E163 VanDerWaalsContact C-N 3.35Å; A161-E163 PolarHBondContact O-N 2.88Å; E163-K166 IonicContact OE2-NZ 3.72Å; E163-K166 PolarHBondContact OE2-NZ 3.26Å; E163-N167 PolarHBondContact O-ND2 3.44Å
164F97.2Very high95.9Very high129 Ų129112.6 Ų112.657%0.56656%0.559SS**Hα-helixtrans-61.8-44.3174.1-176-103.1000111.6V160 A161 K166 N167 F168V160-F164 WeakPolarHBondContact O-CB 3.38Å; V160-F164 PolarHBondContact O-N 3.11Å; A161-F164 PolarHBondContact O-N 3.49Å; F164-K166 PolarHBondContact O-N 3.22Å; F164-N167 PolarHBondContact O-N 2.9Å; F164-F168 HydrophobicContact CD1-CD2 4.44Å; F164-F168 AromaticContact CD1-CE2 3.8Å; F164-F168 HydrophobicContact CD1-CE2 3.8Å; F164-F168 HydrophobicContact CD2-CE2 4.39Å; F164-F168 HydrophobicContact CE1-CD2 4.28Å; F164-F168 AromaticContact CE1-CE2 3.32Å; F164-F168 HydrophobicContact CE1-CE2 3.32Å; F164-F168 AromaticContact CE1-CZ 3.87Å; F164-F168 HydrophobicContact CE1-CZ 3.87Å; F164-F168 AromaticContact CE2-CE2 3.97Å; F164-F168 HydrophobicContact CE2-CE2 3.97Å; F164-F168 HydrophobicContact CE2-CZ 4.37Å; F164-F168 HydrophobicContact CG-CE2 4.31Å; F164-F168 AromaticContact CZ-CE2 3.42Å; F164-F168 HydrophobicContact CZ-CE2 3.42Å; F164-F168 VanDerWaalsContact CZ-CE2 3.42Å; F164-F168 AromaticContact CZ-CZ 3.65Å; F164-F168 HydrophobicContact CZ-CZ 3.65Å; F164-F168 WeakPolarHBondContact O-CD2 3.39Å
165L97.1Very high95.8Very high117 Ų117114.9 Ų114.961%0.61357%0.568SS**Hα-helixtrans-71.2-26.9-177.8-71.2173.4000114.3A161 E162 N167 F168A161-L165 WeakPolarHBondContact O-CG 3.38Å; A161-L165 PolarHBondContact O-N 3.07Å; E162-L165 PolarHBondContact O-N 3.24Å; L165-N167 PolarHBondContact O-N 2.9Å; L165-F168 PolarHBondContact O-N 2.84Å
166K95.6Very high95.6Very high140 Ų140120.3 Ų120.361%0.60958%0.583SS**THydrogen-bonded Turntrans-62.2-20.8173.9-73.9173.2-163.3164.30113.7E162 E163 F164 F168E162-K166 WeakPolarHBondContact O-CG 3.28Å; E162-K166 PolarHBondContact O-N 2.84Å; E162-K166 VanDerWaalsContact O-N 3.1Å; E163-K166 IonicContact OE2-NZ 3.72Å; E163-K166 PolarHBondContact OE2-NZ 3.26Å; F164-K166 PolarHBondContact O-N 3.22Å; K166-F168 VanDerWaalsContact C-N 3.34Å
167N88.5Confident95.4Very high126 Ų126115.1 Ų115.167%0.67457%0.574SS**THydrogen-bonded Turntrans-93.37.7-177.3-67.5-67.5000113E163 F164 L165E163-N167 PolarHBondContact O-ND2 3.44Å; F164-N167 PolarHBondContact O-N 2.9Å; L165-N167 PolarHBondContact O-N 2.9Å
168F81.6Confident95.2Very high199 Ų199120.4 Ų120.487%0.87358%0.584SS**  trans-114.40170.8-69.7-88.8000110.1F164 L165 K166F164-F168 HydrophobicContact CD1-CD2 4.44Å; F164-F168 AromaticContact CD1-CE2 3.8Å; F164-F168 HydrophobicContact CD1-CE2 3.8Å; F164-F168 HydrophobicContact CD2-CE2 4.39Å; F164-F168 HydrophobicContact CE1-CD2 4.28Å; F164-F168 AromaticContact CE1-CE2 3.32Å; F164-F168 HydrophobicContact CE1-CE2 3.32Å; F164-F168 AromaticContact CE1-CZ 3.87Å; F164-F168 HydrophobicContact CE1-CZ 3.87Å; F164-F168 AromaticContact CE2-CE2 3.97Å; F164-F168 HydrophobicContact CE2-CE2 3.97Å; F164-F168 HydrophobicContact CE2-CZ 4.37Å; F164-F168 HydrophobicContact CG-CE2 4.31Å; F164-F168 AromaticContact CZ-CE2 3.42Å; F164-F168 HydrophobicContact CZ-CE2 3.42Å; F164-F168 VanDerWaalsContact CZ-CE2 3.42Å; F164-F168 AromaticContact CZ-CZ 3.65Å; F164-F168 HydrophobicContact CZ-CZ 3.65Å; F164-F168 WeakPolarHBondContact O-CD2 3.39Å; L165-F168 PolarHBondContact O-N 2.84Å; K166-F168 VanDerWaalsContact C-N 3.34Å

Retrieved 168 of 168 residues in 54.5 ms (Link to these results)

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