A0A087XFN0_POEFO Loading...

Enhancer of rudimentary homolog

May have a role in the cell cycle.

AlphaFold DB (M4A423), UniProt , Accession A0A087XFN0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 104 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M77.5Confident95.8Very high196 Ų19651.9 Ų51.997%0.96628%0.282SS*.  0129.80-66.1-174.4-7100106.6
2S93.3Very high95.8Very high43 Ų4363.8 Ų63.830%0.30133%0.329SS..  trans-122.8115.9-177.8-75.50000107.1T4 E23 S24 Y72S2-T4 PolarHBondContact O-N 3.13Å; S2-T4 PolarHBondContact O-OG1 3.39Å; S2-E23 CarbonylContact C-O 3.47Å; S2-E23 PolarHBondContact N-O 2.73Å; S2-S24 WeakPolarHBondContact O-CA 3.35Å; S2-Y72 WeakPolarHBondContact CB-O 3.46Å; S2-Y72 PolarHBondContact OG-O 2.84Å
3H98.3Very high95.9Very high59 Ų5973.1 Ų73.127%0.27336%0.358SS..  trans-51.8132.8176-177.589.1000109.5D21 Y22 Y72 Y79H3-D21 IonicContact CE1-OD2 3.62Å; H3-D21 PolarHBondContact CE1-OD2 2.69Å; H3-Y22 WeakPolarHBondContact CA-O 3.47Å; H3-Y22 PolarHBondContact ND1-O 3.49Å; H3-Y72 WeakPolarHBondContact O-CB 3.35Å; H3-Y72 PolarHBondContact O-N 3.06Å; H3-Y79 AromaticContact CD2-CE1 3.85Å; H3-Y79 AromaticContact CD2-CZ 3.8Å; H3-Y79 PolarHBondContact CD2-OH 3.4Å
4T98.7Very high95.9Very high0 Ų072.5 Ų72.50%036%0.362CS..EExtended strand (participates in β ladder)trans-132127.7-173.4-58.30000109.3S2 D21 Y22 V25 C28 C69 L70 V71S2-T4 PolarHBondContact O-N 3.13Å; S2-T4 PolarHBondContact O-OG1 3.39Å; T4-D21 WeakPolarHBondContact O-CA 3.44Å; T4-Y22 PolarHBondContact N-O 3.45Å; T4-Y22 PolarHBondContact O-N 3.19Å; T4-V25 WeakPolarHBondContact OG1-CG2 3.47Å; T4-V25 PolarHBondContact OG1-N 3.32Å; T4-C28 HydrophobicContact CG2-CB 3.65Å; T4-C69 HydrophobicContact CG2-CB 4.16Å; T4-L70 CarbonylContact C-O 3.58Å; T4-L70 VanDerWaalsContact CA-O 3.3Å; T4-L70 WeakPolarHBondContact CA-O 3.39Å; T4-V71 HydrophobicContact CG2-CG2 3.99Å
5I98.8Very high95.9Very high36 Ų3677.8 Ų77.819%0.18539%0.385CS..EExtended strand (participates in β ladder)trans-104.7126.2175.6-53.9167.4000107.7L7 Y19 A20 D21 C69 L70 Y79I5-L7 HydrophobicContact CG2-CD2 3.98Å; I5-Y19 HydrophobicContact CG2-CD2 4.42Å; I5-A20 CarbonylContact C-O 3.58Å; I5-A20 WeakPolarHBondContact CA-O 3.25Å; I5-D21 HydrophobicContact CG1-CB 4.45Å; I5-C69 CarbonylContact O-C 3.58Å; I5-C69 WeakPolarHBondContact O-CA 3.44Å; I5-C69 WeakPolarHBondContact O-CB 3.4Å; I5-L70 HydrophobicContact CB-CB 4.2Å; I5-L70 PolarHBondContact N-O 3.39Å; I5-L70 PolarHBondContact O-N 3.39Å; I5-Y79 HydrophobicContact CD1-CE1 4.02Å; I5-Y79 HydrophobicContact CG1-CE1 4.24Å
6L98.8Very high95.9Very high4 Ų475.1 Ų75.12%0.02138%0.383CS..EExtended strand (participates in β ladder)trans-96.8130.3172.9-174.166.1000109.5V8 Y19 A20 Y22 V32 L67 C69 I87L6-V8 HydrophobicContact CD2-CG2 3.96Å; L6-V8 HydrophobicContact CG-CG2 3.92Å; L6-Y19 CarbonylContact O-C 3.56Å; L6-Y19 WeakPolarHBondContact O-CA 3.48Å; L6-Y19 WeakPolarHBondContact O-CB 3.46Å; L6-A20 PolarHBondContact N-O 3.4Å; L6-A20 PolarHBondContact O-N 3.19Å; L6-Y22 HydrophobicContact CB-CD2 4.48Å; L6-Y22 HydrophobicContact CB-CE2 3.86Å; L6-Y22 HydrophobicContact CD2-CE2 4.29Å; L6-V32 HydrophobicContact CD1-CG2 3.94Å; L6-V32 HydrophobicContact CD2-CG2 3.7Å; L6-V32 HydrophobicContact CG-CG2 4.49Å; L6-L67 HydrophobicContact CD1-CD1 3.86Å; L6-L67 HydrophobicContact CD1-CG 4.47Å; L6-L67 HydrophobicContact CG-CD1 4.34Å; L6-C69 HydrophobicContact CD1-CB 4.21Å; L6-I87 HydrophobicContact CD1-CD1 4.24Å
7L98.6Very high96Very high64 Ų6479.9 Ų79.934%0.33540%0.395SS..EExtended strand (participates in β ladder)trans-112.1125.2174.2-54.5-179.5000108.5I5 L67 S68 L70I5-L7 HydrophobicContact CG2-CD2 3.98Å; L7-L67 WeakPolarHBondContact O-CA 3.2Å; L7-S68 PolarHBondContact N-O 3.02Å; L7-S68 PolarHBondContact O-N 2.89Å; L7-S68 VanDerWaalsContact O-N 3.14Å; L7-L70 HydrophobicContact CD1-CD1 4.33Å
8V98.4Very high96.1Very high13 Ų1380.4 Ų80.48%0.07940%0.404CS..EExtended strand (participates in β ladder)trans-123.4129.3-176.9-170.70000109.5L6 P10 R17 T18 M35 L64 L67L6-V8 HydrophobicContact CD2-CG2 3.96Å; L6-V8 HydrophobicContact CG-CG2 3.92Å; V8-P10 HydrophobicContact CG1-CG 4.41Å; V8-R17 WeakPolarHBondContact O-CA 3.44Å; V8-T18 HydrophobicContact CB-CG2 4.1Å; V8-T18 PolarHBondContact N-O 3.43Å; V8-T18 PolarHBondContact O-N 2.91Å; V8-M35 HydrophobicContact CG1-CE 4.23Å; V8-M35 HydrophobicContact CG1-SD 3.8Å; V8-M35 HydrophobicContact CG2-SD 4.16Å; V8-L64 HydrophobicContact CG1-CD1 4.5Å; V8-L67 HydrophobicContact CB-CD1 4.32Å; V8-L67 HydrophobicContact CG1-CD1 4.28Å; V8-L67 HydrophobicContact CG2-CD1 3.75Å
9Q98.1Very high96.2Very high21 Ų2184.7 Ų84.710%0.09842%0.416CS..EExtended strand (participates in β ladder)trans-129.4100.3169.7-174.7175.2-13.200109.3T11 K12 R13 R17 A65 D66Q9-T11 WeakPolarHBondContact CG-O 3.38Å; Q9-T11 PolarHBondContact NE2-O 3.37Å; Q9-T11 PolarHBondContact O-N 3.29Å; Q9-K12 VanDerWaalsContact NE2-C 3.31Å; Q9-K12 PolarHBondContact NE2-O 3.41Å; Q9-R13 PolarHBondContact NE2-O 3.47Å; Q9-R17 HydrophobicContact CB-CG 4.02Å; Q9-R17 HydrophobicContact CG-CG 3.73Å; Q9-A65 HydrophobicContact CG-CB 4.33Å; Q9-A65 WeakPolarHBondContact O-CB 3.48Å; Q9-A65 PolarHBondContact O-N 3.26Å; Q9-D66 HydrophobicContact CB-CB 3.94Å; Q9-D66 PolarHBondContact N-O 3.14Å; Q9-D66 PolarHBondContact O-N 3.4Å
10P96.3Very high96.3Very high59 Ų5982.2 Ų82.238%0.38341%0.409SS..SBendtrans-63.3-39.5-175.8-24.734.9000113.8V8 G16 L64 A65V8-P10 HydrophobicContact CG1-CG 4.41Å; P10-G16 WeakPolarHBondContact CD-O 3.43Å; P10-L64 HydrophobicContact CB-CD2 4.33Å; P10-A65 PolarHBondContact O-N 3.04Å; P10-A65 VanDerWaalsContact O-N 3.11Å
11T97Very high96.4Very high76 Ų7683.1 Ų83.147%0.46642%0.416SS..SBendtrans-134.4168.4-179.676.20000110.5Q9 R13Q9-T11 WeakPolarHBondContact CG-O 3.38Å; Q9-T11 PolarHBondContact NE2-O 3.37Å; Q9-T11 PolarHBondContact O-N 3.29Å; T11-R13 PolarHBondContact O-N 2.99Å; T11-R13 WeakPolarHBondContact OG1-CB 3.3Å; T11-R13 PolarHBondContact OG1-N 2.98Å
12K96.1Very high97.4Very high194 Ų19476.2 Ų76.284%0.84338%0.379SS*.SBendtrans-60.1-14.2179.3-64.3-174.1-179.9-179.10114.2Q9 A65Q9-K12 VanDerWaalsContact NE2-C 3.31Å; Q9-K12 PolarHBondContact NE2-O 3.41Å; K12-A65 HydrophobicContact CG-CB 4.22Å
13R97.3Very high97.6Very high185 Ų18580.4 Ų80.470%0.69839%0.394SS*.SBendtrans-69.8127.1176.7-67-170.6-176.1-174.50.8111Q9 T11 E15 G16Q9-R13 PolarHBondContact NE2-O 3.47Å; T11-R13 PolarHBondContact O-N 2.99Å; T11-R13 WeakPolarHBondContact OG1-CB 3.3Å; T11-R13 PolarHBondContact OG1-N 2.98Å; R13-E15 VanDerWaalsContact C-N 3.27Å; R13-E15 WeakPolarHBondContact CB-OE2 3.29Å; R13-E15 PolarHBondContact O-N 3.36Å; R13-G16 PolarHBondContact O-N 2.92Å
14P95.3Very high97.6Very high65 Ų6578.5 Ų78.542%0.42239%0.387SS..G310 helixtrans-69-23.1-175.128.3-35000113.6G16 R17P14-G16 PolarHBondContact O-N 2.89Å; P14-R17 VanDerWaalsContact O-CB 3.32Å; P14-R17 WeakPolarHBondContact O-CB 3.49Å; P14-R17 VanDerWaalsContact O-CG 3.31Å; P14-R17 WeakPolarHBondContact O-CG 3.42Å; P14-R17 PolarHBondContact O-N 3.05Å; P14-R17 VanDerWaalsContact O-N 3.11Å
15E97.1Very high97.5Very high152 Ų15280 Ų8071%0.7140%0.397SS*.G310 helixtrans-67.6-20.4-178.1-5575.8-163.800112.6R13 R17R13-E15 VanDerWaalsContact C-N 3.27Å; R13-E15 WeakPolarHBondContact CB-OE2 3.29Å; R13-E15 PolarHBondContact O-N 3.36Å; E15-R17 VanDerWaalsContact C-N 3.31Å
16G95.1Very high97.5Very high34 Ų3482.2 Ų82.235%0.35141%0.409SS..G310 helixtrans-84.3-2.1175.700000114.2P10 R13 P14 T18P10-G16 WeakPolarHBondContact CD-O 3.43Å; R13-G16 PolarHBondContact O-N 2.92Å; P14-G16 PolarHBondContact O-N 2.89Å; G16-T18 PolarHBondContact O-N 3.38Å
17R97.9Very high97.4Very high157 Ų15785.5 Ų85.559%0.59242%0.424SS*.  trans-68.7129179.1-70.4172.2179161.11.3109.9V8 Q9 P14 E15V8-R17 WeakPolarHBondContact O-CA 3.44Å; Q9-R17 HydrophobicContact CB-CG 4.02Å; Q9-R17 HydrophobicContact CG-CG 3.73Å; P14-R17 VanDerWaalsContact O-CB 3.32Å; P14-R17 WeakPolarHBondContact O-CB 3.49Å; P14-R17 VanDerWaalsContact O-CG 3.31Å; P14-R17 WeakPolarHBondContact O-CG 3.42Å; P14-R17 PolarHBondContact O-N 3.05Å; P14-R17 VanDerWaalsContact O-N 3.11Å; E15-R17 VanDerWaalsContact C-N 3.31Å
18T98.2Very high97.4Very high89 Ų8982.4 Ų82.455%0.54641%0.408SS..EExtended strand (participates in β ladder)trans-140.9166.5173.8-168.90000109.8V8 G16V8-T18 HydrophobicContact CB-CG2 4.1Å; V8-T18 PolarHBondContact N-O 3.43Å; V8-T18 PolarHBondContact O-N 2.91Å; G16-T18 PolarHBondContact O-N 3.38Å
19Y98.3Very high97.4Very high162 Ų16281.9 Ų81.964%0.63540%0.404SS*.EExtended strand (participates in β ladder)trans-137.9159.5174.770.5-83.9000110.7I5 L6I5-Y19 HydrophobicContact CG2-CD2 4.42Å; L6-Y19 CarbonylContact O-C 3.56Å; L6-Y19 WeakPolarHBondContact O-CA 3.48Å; L6-Y19 WeakPolarHBondContact O-CB 3.46Å
20A98.2Very high97.4Very high34 Ų3484 Ų8428%0.28142%0.415SS..EExtended strand (participates in β ladder)trans-142.7150.5170.300000108.9I5 L6 Y22I5-A20 CarbonylContact C-O 3.58Å; I5-A20 WeakPolarHBondContact CA-O 3.25Å; L6-A20 PolarHBondContact N-O 3.4Å; L6-A20 PolarHBondContact O-N 3.19Å; A20-Y22 HydrophobicContact CB-CE2 3.86Å
21D97.3Very high97.4Very high102 Ų10281.7 Ų81.755%0.54540%0.401SS..EExtended strand (participates in β ladder)trans-117.4152.2177.865.4-65000112H3 T4 I5H3-D21 IonicContact CE1-OD2 3.62Å; H3-D21 PolarHBondContact CE1-OD2 2.69Å; T4-D21 WeakPolarHBondContact O-CA 3.44Å; I5-D21 HydrophobicContact CG1-CB 4.45Å
22Y98.3Very high97.5Very high52 Ų5278.1 Ų78.120%0.20438%0.379CS..EExtended strand (participates in β ladder)trans-142.7152.4-173-57.7-86.4000110.3H3 T4 L6 A20 S24 E27 C28H3-Y22 WeakPolarHBondContact CA-O 3.47Å; H3-Y22 PolarHBondContact ND1-O 3.49Å; T4-Y22 PolarHBondContact N-O 3.45Å; T4-Y22 PolarHBondContact O-N 3.19Å; L6-Y22 HydrophobicContact CB-CD2 4.48Å; L6-Y22 HydrophobicContact CB-CE2 3.86Å; L6-Y22 HydrophobicContact CD2-CE2 4.29Å; A20-Y22 HydrophobicContact CB-CE2 3.86Å; Y22-S24 VanDerWaalsContact C-N 3.28Å; Y22-S24 PolarHBondContact O-N 3.3Å; Y22-E27 HydrophobicContact CD1-CB 3.98Å; Y22-E27 HydrophobicContact CG-CB 4.37Å; Y22-C28 VanDerWaalsContact CD2-CA 3.45Å; Y22-C28 HydrophobicContact CD2-CB 3.51Å; Y22-C28 HydrophobicContact CE2-CB 4.11Å; Y22-C28 VanDerWaalsContact CG-CA 3.5Å; Y22-C28 HydrophobicContact CG-CB 3.82Å
23E97.8Very high97.5Very high131 Ų13169.2 Ų69.261%0.61234%0.341SS*.SBendtrans-77.5-20.3179.6-56.9-170.4170.800112S2 E27S2-E23 CarbonylContact C-O 3.47Å; S2-E23 PolarHBondContact N-O 2.73Å; E23-E27 WeakPolarHBondContact CB-OE2 3.21Å; E23-E27 PolarHBondContact N-OE2 3.02Å
24S97.7Very high97.5Very high18 Ų1866 Ų6613%0.12633%0.332CS..SBendtrans-142.5161.317876.20000114.2S2 Y22 N26 E27 C28S2-S24 WeakPolarHBondContact O-CA 3.35Å; Y22-S24 VanDerWaalsContact C-N 3.28Å; Y22-S24 PolarHBondContact O-N 3.3Å; S24-N26 VanDerWaalsContact C-N 3.27Å; S24-N26 PolarHBondContact O-N 3.17Å; S24-E27 PolarHBondContact N-OE2 2.93Å; S24-E27 PolarHBondContact O-N 2.84Å; S24-E27 WeakPolarHBondContact OG-CG 3.46Å; S24-E27 PolarHBondContact OG-N 3.17Å; S24-C28 PolarHBondContact O-N 2.8Å; S24-C28 VanDerWaalsContact O-N 3.11Å
25V97.8Very high97.5Very high32 Ų3265.1 Ų65.119%0.19432%0.323CS..Hα-helixtrans-59.1-39.1171.9176.70000111.4T4 C28 M29 V71 W86T4-V25 WeakPolarHBondContact OG1-CG2 3.47Å; T4-V25 PolarHBondContact OG1-N 3.32Å; V25-C28 WeakPolarHBondContact O-CB 3.32Å; V25-C28 PolarHBondContact O-N 3.45Å; V25-M29 HydrophobicContact CG1-CE 4.12Å; V25-M29 HydrophobicContact CG1-CG 4.49Å; V25-M29 WeakPolarHBondContact O-CG 3.49Å; V25-M29 PolarHBondContact O-N 2.95Å; V25-V71 HydrophobicContact CG2-CG1 3.69Å; V25-V71 HydrophobicContact CG2-CG2 3.97Å; V25-W86 HydrophobicContact CG1-CH2 3.64Å; V25-W86 HydrophobicContact CG1-CZ3 4.14Å; V25-W86 HydrophobicContact CG2-CH2 4.47Å
26N97.3Very high97.5Very high82 Ų8258.6 Ų58.644%0.43929%0.292SS..Hα-helixtrans-65.5-46.2-178-70.2-13.2000111.2S24 C28 M29 E30 L94S24-N26 VanDerWaalsContact C-N 3.27Å; S24-N26 PolarHBondContact O-N 3.17Å; N26-C28 VanDerWaalsContact C-N 3.26Å; N26-C28 PolarHBondContact O-N 3.35Å; N26-M29 PolarHBondContact O-N 3.29Å; N26-M29 VanDerWaalsContact O-N 3.09Å; N26-E30 WeakPolarHBondContact O-CG 3.36Å; N26-E30 PolarHBondContact O-N 3.28Å; N26-L94 HydrophobicContact CB-CD1 4.28Å
27E98.1Very high97.5Very high73 Ų7360.1 Ų60.134%0.34129%0.29SS..Hα-helixtrans-60.8-37.9175.5-72.2170.2173.900111.8Y22 E23 S24 M29 E30 G31Y22-E27 HydrophobicContact CD1-CB 3.98Å; Y22-E27 HydrophobicContact CG-CB 4.37Å; E23-E27 WeakPolarHBondContact CB-OE2 3.21Å; E23-E27 PolarHBondContact N-OE2 3.02Å; S24-E27 PolarHBondContact N-OE2 2.93Å; S24-E27 PolarHBondContact O-N 2.84Å; S24-E27 WeakPolarHBondContact OG-CG 3.46Å; S24-E27 PolarHBondContact OG-N 3.17Å; E27-M29 VanDerWaalsContact C-N 3.35Å; E27-M29 PolarHBondContact O-N 3.41Å; E27-E30 PolarHBondContact O-N 3.1Å; E27-G31 PolarHBondContact O-N 3.02Å
28C98.4Very high97.3Very high0 Ų057.6 Ų57.60%029%0.285CS..Hα-helixtrans-60.5-43.7173.1177.50000111.9T4 Y22 S24 V25 N26 G31 V32T4-C28 HydrophobicContact CG2-CB 3.65Å; Y22-C28 VanDerWaalsContact CD2-CA 3.45Å; Y22-C28 HydrophobicContact CD2-CB 3.51Å; Y22-C28 HydrophobicContact CE2-CB 4.11Å; Y22-C28 VanDerWaalsContact CG-CA 3.5Å; Y22-C28 HydrophobicContact CG-CB 3.82Å; S24-C28 PolarHBondContact O-N 2.8Å; S24-C28 VanDerWaalsContact O-N 3.11Å; V25-C28 WeakPolarHBondContact O-CB 3.32Å; V25-C28 PolarHBondContact O-N 3.45Å; N26-C28 VanDerWaalsContact C-N 3.26Å; N26-C28 PolarHBondContact O-N 3.35Å; C28-G31 PolarHBondContact O-N 3.42Å; C28-V32 PolarHBondContact O-N 3.47Å
29M98.2Very high97.1Very high1 Ų157 Ų571%0.00528%0.276CS..Hα-helixtrans-66.5-39.3176.6-63.1-46.7110.900111.8V25 N26 E27 G31 V32 C33 W86 I87 K90 I91 L94V25-M29 HydrophobicContact CG1-CE 4.12Å; V25-M29 HydrophobicContact CG1-CG 4.49Å; V25-M29 WeakPolarHBondContact O-CG 3.49Å; V25-M29 PolarHBondContact O-N 2.95Å; N26-M29 PolarHBondContact O-N 3.29Å; N26-M29 VanDerWaalsContact O-N 3.09Å; E27-M29 VanDerWaalsContact C-N 3.35Å; E27-M29 PolarHBondContact O-N 3.41Å; M29-G31 VanDerWaalsContact C-N 3.25Å; M29-G31 PolarHBondContact O-N 3.13Å; M29-V32 PolarHBondContact O-N 3.5Å; M29-V32 VanDerWaalsContact O-N 3.14Å; M29-C33 PolarHBondContact O-N 3.3Å; M29-C33 VanDerWaalsContact O-N 3.11Å; M29-C33 PolarHBondContact O-SG 3.36Å; M29-W86 HydrophobicContact CE-CZ3 3.99Å; M29-I87 HydrophobicContact CE-CG1 4.4Å; M29-I87 HydrophobicContact SD-CB 4.35Å; M29-I87 HydrophobicContact SD-CG2 3.85Å; M29-K90 HydrophobicContact CG-CB 3.72Å; M29-K90 HydrophobicContact SD-CB 3.68Å; M29-I91 HydrophobicContact CB-CG1 3.9Å; M29-I91 HydrophobicContact CG-CG1 4.21Å; M29-I91 HydrophobicContact SD-CG1 3.93Å; M29-L94 HydrophobicContact CB-CD2 3.79Å
30E97.4Very high96.9Very high67 Ų6750 Ų5031%0.31325%0.249SC..Hα-helixtrans-61-36.3172.1-69.3177.4-176.500111.8N26 E27 V32 C33 K34 L94N26-E30 WeakPolarHBondContact O-CG 3.36Å; N26-E30 PolarHBondContact O-N 3.28Å; E27-E30 PolarHBondContact O-N 3.1Å; E30-V32 VanDerWaalsContact C-N 3.34Å; E30-V32 PolarHBondContact O-N 3.12Å; E30-C33 PolarHBondContact O-N 3.29Å; E30-K34 WeakPolarHBondContact O-CG 3.47Å; E30-K34 PolarHBondContact O-N 3.28Å; E30-L94 HydrophobicContact CG-CD2 3.68Å
31G97.6Very high96.7Very high10 Ų1054.5 Ų54.510%0.10326%0.263CS..Hα-helixtrans-58.9-41.6172.100000113E27 C28 M29 K34 M35E27-G31 PolarHBondContact O-N 3.02Å; C28-G31 PolarHBondContact O-N 3.42Å; M29-G31 VanDerWaalsContact C-N 3.25Å; M29-G31 PolarHBondContact O-N 3.13Å; G31-K34 PolarHBondContact O-N 2.63Å; G31-M35 WeakPolarHBondContact O-CB 3.46Å; G31-M35 PolarHBondContact O-N 2.96Å
32V98Very high96.5Very high0 Ų059 Ų590%027%0.272CS..Hα-helixtrans-65.8-42175.5-178.90000111.3L6 C28 M29 E30 M35 Y36 I61 L67 I87 I91L6-V32 HydrophobicContact CD1-CG2 3.94Å; L6-V32 HydrophobicContact CD2-CG2 3.7Å; L6-V32 HydrophobicContact CG-CG2 4.49Å; C28-V32 PolarHBondContact O-N 3.47Å; M29-V32 PolarHBondContact O-N 3.5Å; M29-V32 VanDerWaalsContact O-N 3.14Å; E30-V32 VanDerWaalsContact C-N 3.34Å; E30-V32 PolarHBondContact O-N 3.12Å; V32-M35 HydrophobicContact CG1-CE 4.42Å; V32-M35 WeakPolarHBondContact O-CB 3.36Å; V32-M35 PolarHBondContact O-N 3.05Å; V32-Y36 PolarHBondContact O-N 3.37Å; V32-I61 HydrophobicContact CG1-CD1 3.9Å; V32-I61 HydrophobicContact CG1-CG1 4.16Å; V32-L67 HydrophobicContact CG1-CD2 4.37Å; V32-I87 HydrophobicContact CG2-CG2 4.2Å; V32-I91 HydrophobicContact CB-CD1 3.89Å; V32-I91 HydrophobicContact CG1-CD1 3.63Å
33C96.9Very high96.2Very high7 Ų761.6 Ų61.65%0.04729%0.287CS..Hα-helixtrans-60.5-46.7174.1-62.70000111.4M29 E30 M35 Y36 E37M29-C33 PolarHBondContact O-N 3.3Å; M29-C33 VanDerWaalsContact O-N 3.11Å; M29-C33 PolarHBondContact O-SG 3.36Å; E30-C33 PolarHBondContact O-N 3.29Å; C33-M35 VanDerWaalsContact C-N 3.31Å; C33-M35 PolarHBondContact O-N 2.95Å; C33-Y36 PolarHBondContact O-N 2.86Å; C33-Y36 VanDerWaalsContact O-N 3.14Å; C33-E37 WeakPolarHBondContact O-CG 3.42Å; C33-E37 PolarHBondContact O-N 2.84Å
34K95.9Very high95.9Very high117 Ų11759 Ų5951%0.50928%0.277SS..Hα-helixtrans-60.3-39.6177.5-74.9173.2-176.9170.40112.4E30 G31 Y36 E37 E38E30-K34 WeakPolarHBondContact O-CG 3.47Å; E30-K34 PolarHBondContact O-N 3.28Å; G31-K34 PolarHBondContact O-N 2.63Å; K34-Y36 VanDerWaalsContact C-N 3.29Å; K34-Y36 PolarHBondContact O-N 3.15Å; K34-E37 PolarHBondContact O-N 2.57Å; K34-E38 WeakPolarHBondContact O-CB 3.19Å; K34-E38 WeakPolarHBondContact O-CG 3.26Å; K34-E38 PolarHBondContact O-N 2.63Å
35M96.3Very high95.6Very high47 Ų4762.9 Ų62.923%0.23230%0.303CS..Hα-helixtrans-57.9-43.1175.7180175.772.800111.7V8 G31 V32 C33 H39 F60 L64 L67V8-M35 HydrophobicContact CG1-CE 4.23Å; V8-M35 HydrophobicContact CG1-SD 3.8Å; V8-M35 HydrophobicContact CG2-SD 4.16Å; G31-M35 WeakPolarHBondContact O-CB 3.46Å; G31-M35 PolarHBondContact O-N 2.96Å; V32-M35 HydrophobicContact CG1-CE 4.42Å; V32-M35 WeakPolarHBondContact O-CB 3.36Å; V32-M35 PolarHBondContact O-N 3.05Å; C33-M35 VanDerWaalsContact C-N 3.31Å; C33-M35 PolarHBondContact O-N 2.95Å; M35-H39 PolarHBondContact O-N 3.37Å; M35-F60 HydrophobicContact CE-CE1 3.67Å; M35-F60 HydrophobicContact CE-CZ 4.15Å; M35-F60 HydrophobicContact CG-CE1 4.29Å; M35-F60 HydrophobicContact CG-CZ 4.23Å; M35-L64 HydrophobicContact CE-CD1 3.87Å; M35-L67 HydrophobicContact CE-CD1 4.45Å
36Y96.9Very high95.3Very high15 Ų1568.9 Ų68.96%0.05933%0.334CS..Hα-helixtrans-70.8-40.8175.6-178.2-128.5000112.5V32 C33 K34 E38 H39 L40 Y52 Q56 L57 F60V32-Y36 PolarHBondContact O-N 3.37Å; C33-Y36 PolarHBondContact O-N 2.86Å; C33-Y36 VanDerWaalsContact O-N 3.14Å; K34-Y36 VanDerWaalsContact C-N 3.29Å; K34-Y36 PolarHBondContact O-N 3.15Å; Y36-E38 VanDerWaalsContact C-N 3.3Å; Y36-E38 PolarHBondContact O-N 3.31Å; Y36-H39 WeakPolarHBondContact O-CA 3.23Å; Y36-H39 WeakPolarHBondContact O-CB 3.25Å; Y36-H39 PolarHBondContact O-N 3.13Å; Y36-H39 VanDerWaalsContact O-N 3.09Å; Y36-L40 HydrophobicContact CD1-CD1 3.98Å; Y36-L40 HydrophobicContact CD1-CG 4.42Å; Y36-L40 HydrophobicContact CD2-CG 4.31Å; Y36-L40 HydrophobicContact CE1-CD1 3.57Å; Y36-L40 HydrophobicContact CE1-CD2 4.47Å; Y36-L40 HydrophobicContact CE1-CG 4.08Å; Y36-L40 HydrophobicContact CE2-CD1 4.34Å; Y36-L40 HydrophobicContact CE2-CD2 3.97Å; Y36-L40 HydrophobicContact CE2-CG 3.93Å; Y36-L40 WeakPolarHBondContact O-CG 3.48Å; Y36-L40 PolarHBondContact O-N 2.99Å; Y36-Y52 HydrophobicContact CD1-CD1 4.49Å; Y36-Y52 AromaticContact CD1-CD2 3.85Å; Y36-Y52 HydrophobicContact CD1-CD2 3.85Å; Y36-Y52 HydrophobicContact CD1-CE1 4.44Å; Y36-Y52 AromaticContact CD1-CE2 3.78Å; Y36-Y52 HydrophobicContact CD1-CE2 3.78Å; Y36-Y52 HydrophobicContact CD1-CG 4.21Å; Y36-Y52 HydrophobicContact CE1-CD1 4.34Å; Y36-Y52 AromaticContact CE1-CD2 3.55Å; Y36-Y52 HydrophobicContact CE1-CD2 3.55Å; Y36-Y52 AromaticContact CE1-CE2 3.99Å; Y36-Y52 HydrophobicContact CE1-CE2 3.99Å; Y36-Y52 AromaticContact CE1-CG 3.74Å; Y36-Y52 HydrophobicContact CE1-CG 3.74Å; Y36-Q56 HydrophobicContact CE1-CB 4.46Å; Y36-Q56 WeakPolarHBondContact OH-CB 3.5Å; Y36-L57 VanDerWaalsContact CB-CD1 3.45Å; Y36-L57 HydrophobicContact CD1-CB 3.85Å; Y36-L57 HydrophobicContact CD1-CD1 3.64Å; Y36-L57 HydrophobicContact CD1-CG 4.33Å; Y36-L57 HydrophobicContact CE1-CB 4.03Å; Y36-L57 HydrophobicContact CG-CD1 3.71Å; Y36-F60 HydrophobicContact CD2-CB 3.53Å; Y36-F60 AromaticContact CD2-CD1 3.51Å; Y36-F60 HydrophobicContact CD2-CD1 3.51Å; Y36-F60 AromaticContact CD2-CD2 3.7Å; Y36-F60 HydrophobicContact CD2-CD2 3.7Å; Y36-F60 HydrophobicContact CD2-CE1 4.08Å; Y36-F60 HydrophobicContact CD2-CE2 4.25Å; Y36-F60 AromaticContact CD2-CG 3.28Å; Y36-F60 HydrophobicContact CD2-CG 3.28Å; Y36-F60 HydrophobicContact CD2-CZ 4.42Å; Y36-F60 HydrophobicContact CE2-CB 3.56Å; Y36-F60 HydrophobicContact CE2-CD1 4.42Å; Y36-F60 HydrophobicContact CE2-CD2 4.1Å; Y36-F60 AromaticContact CE2-CG 3.79Å; Y36-F60 HydrophobicContact CE2-CG 3.79Å; Y36-F60 HydrophobicContact CG-CB 4.32Å; Y36-F60 AromaticContact CG-CD1 3.89Å; Y36-F60 HydrophobicContact CG-CD1 3.89Å; Y36-F60 HydrophobicContact CG-CE1 4.39Å; Y36-F60 HydrophobicContact CG-CG 4.1Å
37E94.8Very high94.9Very high67 Ų6767.8 Ų67.831%0.31333%0.332SS..Hα-helixtrans-60.3-39.5176-74.3165.1-165.200112.4C33 K34 L40 K41 Y52C33-E37 WeakPolarHBondContact O-CG 3.42Å; C33-E37 PolarHBondContact O-N 2.84Å; K34-E37 PolarHBondContact O-N 2.57Å; E37-L40 PolarHBondContact O-N 3.45Å; E37-K41 WeakPolarHBondContact O-CB 3.26Å; E37-K41 VanDerWaalsContact O-CG 3.29Å; E37-K41 WeakPolarHBondContact O-CG 3.39Å; E37-K41 PolarHBondContact O-N 2.79Å; E37-Y52 HydrophobicContact CG-CE1 3.56Å; E37-Y52 PolarHBondContact OE1-OH 2.9Å
38E93.9Very high94.1Very high104 Ų10470.9 Ų70.949%0.48636%0.359SS..Hα-helixtrans-64.6-40.2173.2-75.4-177.6-168.400112K34 Y36 K41 R42K34-E38 WeakPolarHBondContact O-CB 3.19Å; K34-E38 WeakPolarHBondContact O-CG 3.26Å; K34-E38 PolarHBondContact O-N 2.63Å; Y36-E38 VanDerWaalsContact C-N 3.3Å; Y36-E38 PolarHBondContact O-N 3.31Å; E38-K41 PolarHBondContact O-N 2.92Å; E38-R42 WeakPolarHBondContact O-CG 3.42Å; E38-R42 PolarHBondContact O-N 2.81Å; E38-R42 VanDerWaalsContact O-N 3.07Å
39H93.7Very high93.5Very high76 Ų7675 Ų7535%0.35239%0.387SS..Hα-helixtrans-60.1-47.2173.1176.770.7000111.1M35 Y36 K41 R42 M43 F60M35-H39 PolarHBondContact O-N 3.37Å; Y36-H39 WeakPolarHBondContact O-CA 3.23Å; Y36-H39 WeakPolarHBondContact O-CB 3.25Å; Y36-H39 PolarHBondContact O-N 3.13Å; Y36-H39 VanDerWaalsContact O-N 3.09Å; H39-K41 PolarHBondContact O-N 3.26Å; H39-R42 PolarHBondContact O-N 2.99Å; H39-M43 VanDerWaalsContact NE2-CE 3.31Å; H39-M43 WeakPolarHBondContact NE2-CE 3.37Å; H39-M43 PolarHBondContact O-N 3.29Å; H39-M43 VanDerWaalsContact O-N 3.16Å; H39-F60 HydrophobicContact CB-CE2 4.2Å; H39-F60 HydrophobicContact CB-CZ 4.45Å; H39-F60 AromaticContact CG-CE2 3.97Å
40L94.8Very high92.9Very high15 Ų1577.2 Ų77.28%0.07940%0.399CS..Hα-helixtrans-61.9-42.1176.3-70.8179.2000112.8Y36 E37 R42 M43 N44 I50 Y52Y36-L40 HydrophobicContact CD1-CD1 3.98Å; Y36-L40 HydrophobicContact CD1-CG 4.42Å; Y36-L40 HydrophobicContact CD2-CG 4.31Å; Y36-L40 HydrophobicContact CE1-CD1 3.57Å; Y36-L40 HydrophobicContact CE1-CD2 4.47Å; Y36-L40 HydrophobicContact CE1-CG 4.08Å; Y36-L40 HydrophobicContact CE2-CD1 4.34Å; Y36-L40 HydrophobicContact CE2-CD2 3.97Å; Y36-L40 HydrophobicContact CE2-CG 3.93Å; Y36-L40 WeakPolarHBondContact O-CG 3.48Å; Y36-L40 PolarHBondContact O-N 2.99Å; E37-L40 PolarHBondContact O-N 3.45Å; L40-R42 VanDerWaalsContact C-N 3.31Å; L40-R42 PolarHBondContact O-N 2.89Å; L40-M43 HydrophobicContact CD2-CE 3.72Å; L40-M43 PolarHBondContact O-N 3.18Å; L40-M43 VanDerWaalsContact O-N 3.17Å; L40-N44 PolarHBondContact O-N 3.16Å; L40-N44 PolarHBondContact O-ND2 2.9Å; L40-I50 HydrophobicContact CB-CD1 3.99Å; L40-I50 HydrophobicContact CB-CG2 4.1Å; L40-I50 HydrophobicContact CD1-CG2 3.86Å; L40-I50 WeakPolarHBondContact O-CD1 3.34Å; L40-Y52 HydrophobicContact CD1-CD1 3.58Å; L40-Y52 HydrophobicContact CD1-CE1 4.32Å; L40-Y52 HydrophobicContact CD1-CG 3.9Å
41K93.2Very high92.6Very high129 Ų12980.3 Ų80.356%0.56142%0.422SS*.Hα-helixtrans-60.7-39.6176.6-78173.2-175.5172.50112.2E37 E38 H39 M43 N44 I50E37-K41 WeakPolarHBondContact O-CB 3.26Å; E37-K41 VanDerWaalsContact O-CG 3.29Å; E37-K41 WeakPolarHBondContact O-CG 3.39Å; E37-K41 PolarHBondContact O-N 2.79Å; E38-K41 PolarHBondContact O-N 2.92Å; H39-K41 PolarHBondContact O-N 3.26Å; K41-M43 VanDerWaalsContact C-N 3.33Å; K41-N44 CarbonylContact O-C 3.34Å; K41-N44 PolarHBondContact O-N 3.49Å; K41-I50 HydrophobicContact CB-CD1 4.4Å; K41-I50 HydrophobicContact CG-CD1 3.93Å
42R93.1Very high92.4Very high196 Ų19682.3 Ų82.374%0.7443%0.427SS*.Hα-helixtrans-66.2-35.4175.8-69.6174.5-167.9178.47.8112.2E38 H39 L40E38-R42 WeakPolarHBondContact O-CG 3.42Å; E38-R42 PolarHBondContact O-N 2.81Å; E38-R42 VanDerWaalsContact O-N 3.07Å; H39-R42 PolarHBondContact O-N 2.99Å; L40-R42 VanDerWaalsContact C-N 3.31Å; L40-R42 PolarHBondContact O-N 2.89Å
43M92Very high92.1Very high107 Ų10786.6 Ų86.653%0.52745%0.45SS..Hα-helixtrans-76.1-26.3176.2-66.7-164.5-62.200113.3H39 L40 K41 P45H39-M43 VanDerWaalsContact NE2-CE 3.31Å; H39-M43 WeakPolarHBondContact NE2-CE 3.37Å; H39-M43 PolarHBondContact O-N 3.29Å; H39-M43 VanDerWaalsContact O-N 3.16Å; L40-M43 HydrophobicContact CD2-CE 3.72Å; L40-M43 PolarHBondContact O-N 3.18Å; L40-M43 VanDerWaalsContact O-N 3.17Å; K41-M43 VanDerWaalsContact C-N 3.33Å; M43-P45 VanDerWaalsContact C-CD 3.45Å; M43-P45 WeakPolarHBondContact O-CD 3.43Å
44N92.1Very high92.1Very high75 Ų7588.4 Ų88.440%0.40146%0.459SS..  trans-125.862.5-175-56.2-84.2000111.5L40 K41 N46 S47 I50L40-N44 PolarHBondContact O-N 3.16Å; L40-N44 PolarHBondContact O-ND2 2.9Å; K41-N44 CarbonylContact O-C 3.34Å; K41-N44 PolarHBondContact O-N 3.49Å; N44-N46 PolarHBondContact O-N 2.99Å; N44-N46 VanDerWaalsContact O-N 3.1Å; N44-S47 PolarHBondContact O-N 3.09Å; N44-I50 HydrophobicContact CB-CD1 3.94Å
45P90.6Very high92.1Very high101 Ų10185.6 Ų85.666%0.65645%0.454SS*.THydrogen-bonded Turntrans-63.8-23.3-169.426-35.9000114.2M43M43-P45 VanDerWaalsContact C-CD 3.45Å; M43-P45 WeakPolarHBondContact O-CD 3.43Å
46N92.6Very high92.2Very high158 Ų15887.6 Ų87.685%0.84546%0.463SS*.THydrogen-bonded Turntrans-93.7-2.2-179.8-61.3-33.3000113.2N44 P48N44-N46 PolarHBondContact O-N 2.99Å; N44-N46 VanDerWaalsContact O-N 3.1Å; N46-P48 VanDerWaalsContact O-CD 3.31Å; N46-P48 WeakPolarHBondContact O-CD 3.46Å
47S88.4Confident92.2Very high58 Ų5886.9 Ų86.941%0.40646%0.46SS..  trans-90.6110.6-179.6-157.10000109.7N44 S49N44-S47 PolarHBondContact O-N 3.09Å; S47-S49 PolarHBondContact O-N 2.93Å; S47-S49 PolarHBondContact OG-O 3.42Å
48P81.3Confident92.4Very high139 Ų13985.8 Ų85.890%0.90345%0.454SS*.SBendtrans-68.8-23.3-177.128.2-35.2000112.6N46N46-P48 VanDerWaalsContact O-CD 3.31Å; N46-P48 WeakPolarHBondContact O-CD 3.46Å
49S85.4Confident92.6Very high85 Ų8585.3 Ų85.359%0.59446%0.455SS*.SBendtrans-135145.6173.4-176.30000108.6S47S47-S49 PolarHBondContact O-N 2.93Å; S47-S49 PolarHBondContact OG-O 3.42Å
50I85.9Confident92.8Very high48 Ų4883.2 Ų83.225%0.24645%0.445CS..  trans-130.8129.5176.9-56.6175.4000106.8L40 K41 N44L40-I50 HydrophobicContact CB-CD1 3.99Å; L40-I50 HydrophobicContact CB-CG2 4.1Å; L40-I50 HydrophobicContact CD1-CG2 3.86Å; L40-I50 WeakPolarHBondContact O-CD1 3.34Å; K41-I50 HydrophobicContact CB-CD1 4.4Å; K41-I50 HydrophobicContact CG-CD1 3.93Å; N44-I50 HydrophobicContact CB-CD1 3.94Å
51T90.4Very high92.9Very high132 Ų13282.5 Ų82.581%0.8144%0.441SS*.  trans-113.1146.4171.852.60000108.2
52Y93.4Very high93.1Very high53 Ų5380.4 Ų80.421%0.20844%0.436CS..  trans-146.6151.3178.559.8-87.6000110Y36 E37 L40 L57Y36-Y52 HydrophobicContact CD1-CD1 4.49Å; Y36-Y52 AromaticContact CD1-CD2 3.85Å; Y36-Y52 HydrophobicContact CD1-CD2 3.85Å; Y36-Y52 HydrophobicContact CD1-CE1 4.44Å; Y36-Y52 AromaticContact CD1-CE2 3.78Å; Y36-Y52 HydrophobicContact CD1-CE2 3.78Å; Y36-Y52 HydrophobicContact CD1-CG 4.21Å; Y36-Y52 HydrophobicContact CE1-CD1 4.34Å; Y36-Y52 AromaticContact CE1-CD2 3.55Å; Y36-Y52 HydrophobicContact CE1-CD2 3.55Å; Y36-Y52 AromaticContact CE1-CE2 3.99Å; Y36-Y52 HydrophobicContact CE1-CE2 3.99Å; Y36-Y52 AromaticContact CE1-CG 3.74Å; Y36-Y52 HydrophobicContact CE1-CG 3.74Å; E37-Y52 HydrophobicContact CG-CE1 3.56Å; E37-Y52 PolarHBondContact OE1-OH 2.9Å; L40-Y52 HydrophobicContact CD1-CD1 3.58Å; L40-Y52 HydrophobicContact CD1-CE1 4.32Å; L40-Y52 HydrophobicContact CD1-CG 3.9Å; Y52-L57 HydrophobicContact CD2-CB 4.17Å; Y52-L57 HydrophobicContact CE2-CB 3.91Å; Y52-L57 HydrophobicContact CE2-CD2 4.17Å
53D93.3Very high93.4Very high90 Ų9077.5 Ų77.548%0.48144%0.435SS..  trans-81151.6171.1-171.4-90.2000110.6S55 Q56 L57D53-S55 PolarHBondContact O-N 3.38Å; D53-S55 VanDerWaalsContact OD1-CB 3.26Å; D53-S55 WeakPolarHBondContact OD1-CB 3.16Å; D53-S55 PolarHBondContact OD1-N 3.32Å; D53-S55 PolarHBondContact OD1-OG 3.22Å; D53-Q56 HydrophobicContact CB-CG 4.34Å; D53-Q56 WeakPolarHBondContact O-CB 3.43Å; D53-Q56 PolarHBondContact O-N 3.44Å; D53-L57 PolarHBondContact O-N 3.39Å
54I95.3Very high93.6Very high45 Ų4573.1 Ų73.123%0.23141%0.414CS..Hα-helixtrans-60.2-31.2178.4-166.7166.8000112.9Q56 L57 F58 Y92 L95I54-Q56 VanDerWaalsContact C-N 3.32Å; I54-Q56 PolarHBondContact O-N 2.95Å; I54-L57 PolarHBondContact O-N 2.84Å; I54-F58 HydrophobicContact CD1-CE1 4.13Å; I54-F58 HydrophobicContact CD1-CE2 4.28Å; I54-F58 HydrophobicContact CD1-CZ 3.7Å; I54-F58 HydrophobicContact CG1-CD1 4.24Å; I54-F58 HydrophobicContact CG1-CE1 3.75Å; I54-F58 HydrophobicContact CG1-CE2 4.06Å; I54-F58 HydrophobicContact CG1-CZ 3.66Å; I54-F58 WeakPolarHBondContact O-CG 3.42Å; I54-F58 PolarHBondContact O-N 2.9Å; I54-Y92 HydrophobicContact CD1-CD2 3.81Å; I54-Y92 HydrophobicContact CD1-CG 4.45Å; I54-L95 HydrophobicContact CD1-CD1 3.97Å; I54-L95 HydrophobicContact CG1-CD1 4.27Å
55S97.1Very high93.9Very high57 Ų5771.7 Ų71.740%0.39941%0.412SS..Hα-helixtrans-57.8-43.9173540000111.7D53 L57 F58 D59D53-S55 PolarHBondContact O-N 3.38Å; D53-S55 VanDerWaalsContact OD1-CB 3.26Å; D53-S55 WeakPolarHBondContact OD1-CB 3.16Å; D53-S55 PolarHBondContact OD1-N 3.32Å; D53-S55 PolarHBondContact OD1-OG 3.22Å; S55-L57 VanDerWaalsContact C-N 3.33Å; S55-L57 PolarHBondContact O-N 3.29Å; S55-F58 CarbonylContact O-C 3.57Å; S55-F58 WeakPolarHBondContact O-CA 3.47Å; S55-F58 WeakPolarHBondContact O-CB 3.35Å; S55-F58 PolarHBondContact O-N 3.11Å; S55-D59 VanDerWaalsContact O-CG 3.27Å; S55-D59 PolarHBondContact O-N 3.48Å
56Q97.2Very high94.2Very high90 Ų9070.5 Ų70.542%0.42140%0.401SS..Hα-helixtrans-65.7-36.2179.6-55177.8-82.500112.2Y36 D53 I54 F58 F60Y36-Q56 HydrophobicContact CE1-CB 4.46Å; Y36-Q56 WeakPolarHBondContact OH-CB 3.5Å; D53-Q56 HydrophobicContact CB-CG 4.34Å; D53-Q56 WeakPolarHBondContact O-CB 3.43Å; D53-Q56 PolarHBondContact O-N 3.44Å; I54-Q56 VanDerWaalsContact C-N 3.32Å; I54-Q56 PolarHBondContact O-N 2.95Å; Q56-F58 VanDerWaalsContact C-N 3.32Å; Q56-F60 PolarHBondContact O-N 3.27Å; Q56-F60 VanDerWaalsContact O-N 3.1Å
57L97.7Very high94.5Very high0 Ų063 Ų630%036%0.36CS..Hα-helixtrans-64.6-39.2171.4170.761.5000111.2Y36 Y52 D53 I54 S55 F60 I61 I91 L95Y36-L57 VanDerWaalsContact CB-CD1 3.45Å; Y36-L57 HydrophobicContact CD1-CB 3.85Å; Y36-L57 HydrophobicContact CD1-CD1 3.64Å; Y36-L57 HydrophobicContact CD1-CG 4.33Å; Y36-L57 HydrophobicContact CE1-CB 4.03Å; Y36-L57 HydrophobicContact CG-CD1 3.71Å; Y52-L57 HydrophobicContact CD2-CB 4.17Å; Y52-L57 HydrophobicContact CE2-CB 3.91Å; Y52-L57 HydrophobicContact CE2-CD2 4.17Å; D53-L57 PolarHBondContact O-N 3.39Å; I54-L57 PolarHBondContact O-N 2.84Å; S55-L57 VanDerWaalsContact C-N 3.33Å; S55-L57 PolarHBondContact O-N 3.29Å; L57-F60 HydrophobicContact CD1-CD1 4.45Å; L57-F60 PolarHBondContact O-N 3.44Å; L57-I61 HydrophobicContact CD1-CD1 4.26Å; L57-I61 HydrophobicContact CD1-CG1 4.49Å; L57-I61 HydrophobicContact CG-CD1 4.24Å; L57-I61 WeakPolarHBondContact O-CG1 3.3Å; L57-I61 PolarHBondContact O-N 2.99Å; L57-I91 HydrophobicContact CD2-CG2 3.7Å; L57-L95 HydrophobicContact CD2-CD1 4.49Å
58F98.3Very high95Very high43 Ų4361.4 Ų61.419%0.18935%0.349CS..Hα-helixtrans-70.1-37179.2-71.5-2.3000112.7I54 S55 Q56 I61 D62 K88 I91I54-F58 HydrophobicContact CD1-CE1 4.13Å; I54-F58 HydrophobicContact CD1-CE2 4.28Å; I54-F58 HydrophobicContact CD1-CZ 3.7Å; I54-F58 HydrophobicContact CG1-CD1 4.24Å; I54-F58 HydrophobicContact CG1-CE1 3.75Å; I54-F58 HydrophobicContact CG1-CE2 4.06Å; I54-F58 HydrophobicContact CG1-CZ 3.66Å; I54-F58 WeakPolarHBondContact O-CG 3.42Å; I54-F58 PolarHBondContact O-N 2.9Å; S55-F58 CarbonylContact O-C 3.57Å; S55-F58 WeakPolarHBondContact O-CA 3.47Å; S55-F58 WeakPolarHBondContact O-CB 3.35Å; S55-F58 PolarHBondContact O-N 3.11Å; Q56-F58 VanDerWaalsContact C-N 3.32Å; F58-I61 HydrophobicContact CD1-CD1 4.29Å; F58-I61 PolarHBondContact O-N 3.27Å; F58-D62 PolarHBondContact O-N 2.77Å; F58-K88 HydrophobicContact CB-CD 4.26Å; F58-K88 HydrophobicContact CD1-CB 4.16Å; F58-K88 HydrophobicContact CD1-CD 4.23Å; F58-K88 HydrophobicContact CD1-CG 3.79Å; F58-K88 HydrophobicContact CD2-CD 4.44Å; F58-K88 HydrophobicContact CE1-CB 3.83Å; F58-K88 HydrophobicContact CE1-CG 3.97Å; F58-K88 HydrophobicContact CE2-CB 4.35Å; F58-K88 HydrophobicContact CG-CD 4.07Å; F58-K88 HydrophobicContact CG-CG 4.15Å; F58-K88 HydrophobicContact CZ-CB 3.93Å; F58-K88 HydrophobicContact CZ-CG 4.47Å; F58-K88 VanDerWaalsContact CZ-O 3.29Å; F58-K88 WeakPolarHBondContact CZ-O 3.5Å; F58-K88 WeakPolarHBondContact O-CE 3.49Å; F58-K88 PolarHBondContact O-NZ 3.14Å; F58-I91 HydrophobicContact CE1-CB 4.36Å; F58-I91 HydrophobicContact CE1-CG2 4.08Å
59D98.2Very high95.8Very high95 Ų9554.8 Ų54.851%0.50831%0.306SS..Hα-helixtrans-61.7-46.1172.7-64.3-23.9000110.2S55 I61 D62 D63S55-D59 VanDerWaalsContact O-CG 3.27Å; S55-D59 PolarHBondContact O-N 3.48Å; D59-I61 VanDerWaalsContact C-N 3.3Å; D59-I61 PolarHBondContact O-N 3.1Å; D59-D62 PolarHBondContact O-N 3.1Å; D59-D63 PolarHBondContact O-N 3.06Å
60F97.6Very high96.4Very high32 Ų3253 Ų5314%0.1429%0.289CS..Hα-helixtrans-57.4-41174.1169.7-103.4000112.9M35 Y36 H39 Q56 L57 D62 D63 L64M35-F60 HydrophobicContact CE-CE1 3.67Å; M35-F60 HydrophobicContact CE-CZ 4.15Å; M35-F60 HydrophobicContact CG-CE1 4.29Å; M35-F60 HydrophobicContact CG-CZ 4.23Å; Y36-F60 HydrophobicContact CD2-CB 3.53Å; Y36-F60 AromaticContact CD2-CD1 3.51Å; Y36-F60 HydrophobicContact CD2-CD1 3.51Å; Y36-F60 AromaticContact CD2-CD2 3.7Å; Y36-F60 HydrophobicContact CD2-CD2 3.7Å; Y36-F60 HydrophobicContact CD2-CE1 4.08Å; Y36-F60 HydrophobicContact CD2-CE2 4.25Å; Y36-F60 AromaticContact CD2-CG 3.28Å; Y36-F60 HydrophobicContact CD2-CG 3.28Å; Y36-F60 HydrophobicContact CD2-CZ 4.42Å; Y36-F60 HydrophobicContact CE2-CB 3.56Å; Y36-F60 HydrophobicContact CE2-CD1 4.42Å; Y36-F60 HydrophobicContact CE2-CD2 4.1Å; Y36-F60 AromaticContact CE2-CG 3.79Å; Y36-F60 HydrophobicContact CE2-CG 3.79Å; Y36-F60 HydrophobicContact CG-CB 4.32Å; Y36-F60 AromaticContact CG-CD1 3.89Å; Y36-F60 HydrophobicContact CG-CD1 3.89Å; Y36-F60 HydrophobicContact CG-CE1 4.39Å; Y36-F60 HydrophobicContact CG-CG 4.1Å; H39-F60 HydrophobicContact CB-CE2 4.2Å; H39-F60 HydrophobicContact CB-CZ 4.45Å; H39-F60 AromaticContact CG-CE2 3.97Å; Q56-F60 PolarHBondContact O-N 3.27Å; Q56-F60 VanDerWaalsContact O-N 3.1Å; L57-F60 HydrophobicContact CD1-CD1 4.45Å; L57-F60 PolarHBondContact O-N 3.44Å; F60-D62 VanDerWaalsContact C-N 3.35Å; F60-D63 PolarHBondContact O-N 2.97Å; F60-L64 HydrophobicContact CZ-CD2 4.39Å; F60-L64 PolarHBondContact O-N 3.32Å
61I98.1Very high97Very high0 Ų051.3 Ų51.30%028%0.282CS..Hα-helixtrans-65.3-39.3176-70.4166.6000111.2V32 L57 F58 D59 D63 L64 L67 K84 K88 I91V32-I61 HydrophobicContact CG1-CD1 3.9Å; V32-I61 HydrophobicContact CG1-CG1 4.16Å; L57-I61 HydrophobicContact CD1-CD1 4.26Å; L57-I61 HydrophobicContact CD1-CG1 4.49Å; L57-I61 HydrophobicContact CG-CD1 4.24Å; L57-I61 WeakPolarHBondContact O-CG1 3.3Å; L57-I61 PolarHBondContact O-N 2.99Å; F58-I61 HydrophobicContact CD1-CD1 4.29Å; F58-I61 PolarHBondContact O-N 3.27Å; D59-I61 VanDerWaalsContact C-N 3.3Å; D59-I61 PolarHBondContact O-N 3.1Å; I61-D63 VanDerWaalsContact C-N 3.32Å; I61-L64 PolarHBondContact O-N 2.63Å; I61-L67 HydrophobicContact CB-CD2 4.5Å; I61-L67 HydrophobicContact CG1-CD2 4.19Å; I61-L67 HydrophobicContact CG2-CD2 3.7Å; I61-K84 HydrophobicContact CG2-CB 4.21Å; I61-K84 HydrophobicContact CG2-CD 4.08Å; I61-K84 HydrophobicContact CG2-CG 4.12Å; I61-K84 WeakPolarHBondContact O-CE 3.39Å; I61-K84 PolarHBondContact O-NZ 2.97Å; I61-K88 HydrophobicContact CD1-CG 4.02Å; I61-K88 HydrophobicContact CG2-CD 4.39Å; I61-K88 HydrophobicContact CG2-CG 4.16Å; I61-I91 HydrophobicContact CD1-CD1 3.79Å
62D97.9Very high97.4Very high84 Ų8448.3 Ų48.345%0.44926%0.256SS..Hα-helixtrans-64.6-38.8178.2-75.6-26.3000112F58 D59 F60 L64 K84 K88F58-D62 PolarHBondContact O-N 2.77Å; D59-D62 PolarHBondContact O-N 3.1Å; F60-D62 VanDerWaalsContact C-N 3.35Å; D62-L64 PolarHBondContact O-N 3.43Å; D62-K84 PolarHBondContact O-NZ 2.86Å; D62-K84 VanDerWaalsContact O-NZ 3.1Å; D62-K88 WeakPolarHBondContact OD1-CE 3.37Å; D62-K88 IonicContact OD1-NZ 3.63Å; D62-K88 PolarHBondContact OD1-NZ 3.18Å; D62-K88 IonicContact OD2-NZ 2.69Å; D62-K88 PolarHBondContact OD2-NZ 2.85Å
63D97.6Very high97.6Very high136 Ų13650.6 Ų50.673%0.72726%0.264SS*.Hα-helixtrans-65.9-22.2-180-76.5-16.5000114D59 F60 I61D59-D63 PolarHBondContact O-N 3.06Å; F60-D63 PolarHBondContact O-N 2.97Å; I61-D63 VanDerWaalsContact C-N 3.32Å
64L97.5Very high97.8Very high14 Ų1449.9 Ų49.97%0.07327%0.271CS..SBendtrans-60.3145.4173.5-59.7172.6000110.3V8 P10 M35 F60 I61 D62 L67 K84V8-L64 HydrophobicContact CG1-CD1 4.5Å; P10-L64 HydrophobicContact CB-CD2 4.33Å; M35-L64 HydrophobicContact CE-CD1 3.87Å; F60-L64 HydrophobicContact CZ-CD2 4.39Å; F60-L64 PolarHBondContact O-N 3.32Å; I61-L64 PolarHBondContact O-N 2.63Å; D62-L64 PolarHBondContact O-N 3.43Å; L64-L67 HydrophobicContact CD1-CB 3.93Å; L64-L67 HydrophobicContact CD1-CD1 4.12Å; L64-L67 HydrophobicContact CD1-CD2 4.08Å; L64-L67 HydrophobicContact CD1-CG 4.28Å; L64-K84 PolarHBondContact O-NZ 2.99Å
65A97.8Very high97.8Very high45 Ų4553 Ų5337%0.37229%0.288SS..SBendtrans-67.6-39.2173.200000112.4Q9 P10 K12Q9-A65 HydrophobicContact CG-CB 4.33Å; Q9-A65 WeakPolarHBondContact O-CB 3.48Å; Q9-A65 PolarHBondContact O-N 3.26Å; P10-A65 PolarHBondContact O-N 3.04Å; P10-A65 VanDerWaalsContact O-N 3.11Å; K12-A65 HydrophobicContact CG-CB 4.22Å
66D97.7Very high97.8Very high77 Ų7754 Ų5441%0.41229%0.291SS..EExtended strand (participates in β ladder)trans-150.8146.7172.1-16720.4000111Q9Q9-D66 HydrophobicContact CB-CB 3.94Å; Q9-D66 PolarHBondContact N-O 3.14Å; Q9-D66 PolarHBondContact O-N 3.4Å
67L98.4Very high97.8Very high0 Ų057 Ų570%031%0.305CS..EExtended strand (participates in β ladder)trans-151.8118.3171.6179.780.1000107.6L6 L7 V8 V32 M35 I61 L64 K84 I87L6-L67 HydrophobicContact CD1-CD1 3.86Å; L6-L67 HydrophobicContact CD1-CG 4.47Å; L6-L67 HydrophobicContact CG-CD1 4.34Å; L7-L67 WeakPolarHBondContact O-CA 3.2Å; V8-L67 HydrophobicContact CB-CD1 4.32Å; V8-L67 HydrophobicContact CG1-CD1 4.28Å; V8-L67 HydrophobicContact CG2-CD1 3.75Å; V32-L67 HydrophobicContact CG1-CD2 4.37Å; M35-L67 HydrophobicContact CE-CD1 4.45Å; I61-L67 HydrophobicContact CB-CD2 4.5Å; I61-L67 HydrophobicContact CG1-CD2 4.19Å; I61-L67 HydrophobicContact CG2-CD2 3.7Å; L64-L67 HydrophobicContact CD1-CB 3.93Å; L64-L67 HydrophobicContact CD1-CD1 4.12Å; L64-L67 HydrophobicContact CD1-CD2 4.08Å; L64-L67 HydrophobicContact CD1-CG 4.28Å; L67-K84 HydrophobicContact CB-CD 4.44Å; L67-K84 HydrophobicContact CB-CG 3.88Å; L67-K84 VanDerWaalsContact O-CG 3.26Å; L67-K84 WeakPolarHBondContact O-CG 3.45Å; L67-K84 PolarHBondContact O-N 3.31Å; L67-I87 HydrophobicContact CD2-CD1 4.05Å; L67-I87 HydrophobicContact CD2-CG2 4.1Å; L67-I87 HydrophobicContact CG-CD1 3.86Å
68S98.3Very high97.9Very high24 Ų2460.1 Ų60.117%0.16833%0.325CS..EExtended strand (participates in β ladder)trans-141.6159.9179550000110L7 Y82L7-S68 PolarHBondContact N-O 3.02Å; L7-S68 PolarHBondContact O-N 2.89Å; L7-S68 VanDerWaalsContact O-N 3.14Å; S68-Y82 VanDerWaalsContact CA-O 3.25Å; S68-Y82 WeakPolarHBondContact CA-O 3.34Å; S68-Y82 VanDerWaalsContact CB-O 3.23Å; S68-Y82 WeakPolarHBondContact CB-O 3.39Å
69C98.5Very high97.9Very high0 Ų062.4 Ų62.40%033%0.333CS..EExtended strand (participates in β ladder)trans-134.1150.3172.2690000111.6T4 I5 L6 P81 Y82 W86 I87T4-C69 HydrophobicContact CG2-CB 4.16Å; I5-C69 CarbonylContact O-C 3.58Å; I5-C69 WeakPolarHBondContact O-CA 3.44Å; I5-C69 WeakPolarHBondContact O-CB 3.4Å; L6-C69 HydrophobicContact CD1-CB 4.21Å; C69-P81 CarbonylContact O-C 3.33Å; C69-P81 WeakPolarHBondContact O-CA 3.48Å; C69-Y82 PolarHBondContact N-O 2.86Å; C69-Y82 PolarHBondContact O-N 2.85Å; C69-W86 VanDerWaalsContact SG-CZ3 3.54Å; C69-I87 HydrophobicContact CB-CD1 4.18Å
70L98.7Very high97.9Very high47 Ų4761.2 Ų61.225%0.24632%0.324CS..EExtended strand (participates in β ladder)trans-111.1115.8177.9-66.6173.4000107.7T4 I5 L7 Y79 Q80 P81T4-L70 CarbonylContact C-O 3.58Å; T4-L70 VanDerWaalsContact CA-O 3.3Å; T4-L70 WeakPolarHBondContact CA-O 3.39Å; I5-L70 HydrophobicContact CB-CB 4.2Å; I5-L70 PolarHBondContact N-O 3.39Å; I5-L70 PolarHBondContact O-N 3.39Å; L7-L70 HydrophobicContact CD1-CD1 4.33Å; L70-Y79 HydrophobicContact CB-CD1 3.74Å; L70-Y79 HydrophobicContact CB-CG 4.12Å; L70-Y79 WeakPolarHBondContact O-CD1 3.36Å; L70-Q80 WeakPolarHBondContact CA-O 3.47Å; L70-P81 HydrophobicContact CD2-CB 3.82Å
71V98.6Very high97.9Very high13 Ų1363.4 Ų63.48%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-104.8125.7-179.7-177.50000110T4 V25 R73 Y79 Q80 Y82 W86T4-V71 HydrophobicContact CG2-CG2 3.99Å; V25-V71 HydrophobicContact CG2-CG1 3.69Å; V25-V71 HydrophobicContact CG2-CG2 3.97Å; V71-R73 PolarHBondContact O-N 2.86Å; V71-Y79 WeakPolarHBondContact O-CA 3.38Å; V71-Q80 PolarHBondContact N-O 2.76Å; V71-Q80 PolarHBondContact O-N 3.21Å; V71-Y82 HydrophobicContact CB-CD2 4.28Å; V71-Y82 HydrophobicContact CB-CE2 3.96Å; V71-Y82 HydrophobicContact CG2-CD2 3.75Å; V71-Y82 HydrophobicContact CG2-CE2 3.83Å; V71-W86 HydrophobicContact CG2-CH2 3.95Å; V71-W86 HydrophobicContact CG2-CZ3 4.38Å
72Y98.6Very high97.9Very high70 Ų7066.8 Ų66.828%0.27536%0.355SS..EExtended strand (participates in β ladder)trans-67.5129179.2-174.6-109.5000111.9S2 H3 A74 Y79S2-Y72 WeakPolarHBondContact CB-O 3.46Å; S2-Y72 PolarHBondContact OG-O 2.84Å; H3-Y72 WeakPolarHBondContact O-CB 3.35Å; H3-Y72 PolarHBondContact O-N 3.06Å; Y72-A74 HydrophobicContact CE1-CB 4.12Å; Y72-Y79 HydrophobicContact CD2-CD2 4.38Å; Y72-Y79 HydrophobicContact CD2-CE1 4.26Å; Y72-Y79 AromaticContact CD2-CE2 3.93Å; Y72-Y79 HydrophobicContact CD2-CE2 3.93Å; Y72-Y79 AromaticContact CD2-CZ 3.85Å; Y72-Y79 HydrophobicContact CG-CE1 4.42Å
73R97.9Very high98Very high101 Ų10166.7 Ų66.738%0.38136%0.355SS..EExtended strand (participates in β ladder)trans-108.8110.2175.4-76.2-161.867.2160.92.7109.6V71 D75 Q77 T78 Q80V71-R73 PolarHBondContact O-N 2.86Å; R73-D75 VanDerWaalsContact C-N 3.3Å; R73-D75 WeakPolarHBondContact CB-OD1 3.4Å; R73-D75 IonicContact CZ-OD1 3.8Å; R73-D75 IonicContact CZ-OD2 3.51Å; R73-D75 IonicContact NE-OD1 3.49Å; R73-D75 PolarHBondContact NE-OD1 3.11Å; R73-D75 VanDerWaalsContact NE-OD1 3.13Å; R73-D75 IonicContact NE-OD2 2.63Å; R73-D75 IonicContact NH2-OD1 2.63Å; R73-D75 IonicContact NH2-OD2 3.13Å; R73-D75 PolarHBondContact NH2-OD2 3.3Å; R73-D75 PolarHBondContact O-N 3.49Å; R73-Q77 WeakPolarHBondContact O-CA 3.45Å; R73-Q77 PolarHBondContact O-N 3.26Å; R73-T78 WeakPolarHBondContact CB-O 3.36Å; R73-T78 PolarHBondContact N-O 3.17Å; R73-T78 PolarHBondContact O-N 3.14Å; R73-Q80 HydrophobicContact CG-CB 4.23Å
74A96.1Very high98Very high75 Ų7561.8 Ų61.862%0.6233%0.327SS*.THydrogen-bonded Turntrans-70.9-26.1-176.400000113.3Y72Y72-A74 HydrophobicContact CE1-CB 4.12Å
75D96.4Very high98Very high111 Ų11166 Ų6659%0.59435%0.35SS*.THydrogen-bonded Turntrans-69-36.4-179.957.8-38.6000112.6R73R73-D75 VanDerWaalsContact C-N 3.3Å; R73-D75 WeakPolarHBondContact CB-OD1 3.4Å; R73-D75 IonicContact CZ-OD1 3.8Å; R73-D75 IonicContact CZ-OD2 3.51Å; R73-D75 IonicContact NE-OD1 3.49Å; R73-D75 PolarHBondContact NE-OD1 3.11Å; R73-D75 VanDerWaalsContact NE-OD1 3.13Å; R73-D75 IonicContact NE-OD2 2.63Å; R73-D75 IonicContact NH2-OD1 2.63Å; R73-D75 IonicContact NH2-OD2 3.13Å; R73-D75 PolarHBondContact NH2-OD2 3.3Å; R73-D75 PolarHBondContact O-N 3.49Å
76T97.6Very high98.1Very high76 Ų7666 Ų6647%0.46634%0.34SS..THydrogen-bonded Turntrans-107.7-7.1178.654.90000113.4T78T76-T78 WeakPolarHBondContact O-CG2 3.46Å; T76-T78 PolarHBondContact O-N 3.49Å; T76-T78 PolarHBondContact OG1-OG1 3.34Å
77Q97.3Very high98.1Very high153 Ų15362.3 Ų62.372%0.71532%0.32SS*.THydrogen-bonded Turntrans53.937.6-171.5-56.4-174.7-49.100113R73R73-Q77 WeakPolarHBondContact O-CA 3.45Å; R73-Q77 PolarHBondContact O-N 3.26Å
78T97.9Very high98.1Very high67 Ų6763.4 Ų63.441%0.41133%0.325SS..EExtended strand (participates in β ladder)trans-124.2165.9-179.160.60000111.9R73 T76R73-T78 WeakPolarHBondContact CB-O 3.36Å; R73-T78 PolarHBondContact N-O 3.17Å; R73-T78 PolarHBondContact O-N 3.14Å; T76-T78 WeakPolarHBondContact O-CG2 3.46Å; T76-T78 PolarHBondContact O-N 3.49Å; T76-T78 PolarHBondContact OG1-OG1 3.34Å
79Y98.4Very high98.1Very high90 Ų9067.1 Ų67.135%0.35334%0.339SS..EExtended strand (participates in β ladder)trans-96.4126.8167.7-77.6-84.2000110.8H3 I5 L70 V71 Y72H3-Y79 AromaticContact CD2-CE1 3.85Å; H3-Y79 AromaticContact CD2-CZ 3.8Å; H3-Y79 PolarHBondContact CD2-OH 3.4Å; I5-Y79 HydrophobicContact CD1-CE1 4.02Å; I5-Y79 HydrophobicContact CG1-CE1 4.24Å; L70-Y79 HydrophobicContact CB-CD1 3.74Å; L70-Y79 HydrophobicContact CB-CG 4.12Å; L70-Y79 WeakPolarHBondContact O-CD1 3.36Å; V71-Y79 WeakPolarHBondContact O-CA 3.38Å; Y72-Y79 HydrophobicContact CD2-CD2 4.38Å; Y72-Y79 HydrophobicContact CD2-CE1 4.26Å; Y72-Y79 AromaticContact CD2-CE2 3.93Å; Y72-Y79 HydrophobicContact CD2-CE2 3.93Å; Y72-Y79 AromaticContact CD2-CZ 3.85Å; Y72-Y79 HydrophobicContact CG-CE1 4.42Å
80Q98.4Very high98.1Very high70 Ų7070 Ų7033%0.32735%0.352SS..EExtended strand (participates in β ladder)trans-90121.8170.9-179.364.951.100109.3L70 V71 R73 Y82L70-Q80 WeakPolarHBondContact CA-O 3.47Å; V71-Q80 PolarHBondContact N-O 2.76Å; V71-Q80 PolarHBondContact O-N 3.21Å; R73-Q80 HydrophobicContact CG-CB 4.23Å; Q80-Y82 HydrophobicContact CB-CE2 3.9Å; Q80-Y82 HydrophobicContact CG-CD2 4.29Å; Q80-Y82 HydrophobicContact CG-CE1 4.17Å; Q80-Y82 HydrophobicContact CG-CE2 3.52Å; Q80-Y82 VanDerWaalsContact CG-CZ 3.47Å; Q80-Y82 WeakPolarHBondContact CG-OH 3.09Å; Q80-Y82 WeakPolarHBondContact O-CD2 3.49Å
81P98.4Very high98.1Very high78 Ų7867.8 Ų67.851%0.50634%0.34SS..EExtended strand (participates in β ladder)trans-76.7144.6174.330.8-35.3000112.3C69 L70C69-P81 CarbonylContact O-C 3.33Å; C69-P81 WeakPolarHBondContact O-CA 3.48Å; L70-P81 HydrophobicContact CD2-CB 3.82Å
82Y98.7Very high98Very high71 Ų7172.6 Ų72.628%0.27836%0.358SS..EExtended strand (participates in β ladder)trans-137.5148.7173.9-65.2-77.5000110.7S68 C69 V71 Q80 W86S68-Y82 VanDerWaalsContact CA-O 3.25Å; S68-Y82 WeakPolarHBondContact CA-O 3.34Å; S68-Y82 VanDerWaalsContact CB-O 3.23Å; S68-Y82 WeakPolarHBondContact CB-O 3.39Å; C69-Y82 PolarHBondContact N-O 2.86Å; C69-Y82 PolarHBondContact O-N 2.85Å; V71-Y82 HydrophobicContact CB-CD2 4.28Å; V71-Y82 HydrophobicContact CB-CE2 3.96Å; V71-Y82 HydrophobicContact CG2-CD2 3.75Å; V71-Y82 HydrophobicContact CG2-CE2 3.83Å; Q80-Y82 HydrophobicContact CB-CE2 3.9Å; Q80-Y82 HydrophobicContact CG-CD2 4.29Å; Q80-Y82 HydrophobicContact CG-CE1 4.17Å; Q80-Y82 HydrophobicContact CG-CE2 3.52Å; Q80-Y82 VanDerWaalsContact CG-CZ 3.47Å; Q80-Y82 WeakPolarHBondContact CG-OH 3.09Å; Q80-Y82 WeakPolarHBondContact O-CD2 3.49Å; Y82-W86 HydrophobicContact CD1-CB 4.19Å; Y82-W86 AromaticContact CD1-CD1 3.42Å; Y82-W86 VanDerWaalsContact CD1-CD1 3.42Å; Y82-W86 AromaticContact CD1-CD2 3.63Å; Y82-W86 HydrophobicContact CD1-CD2 3.63Å; Y82-W86 AromaticContact CD1-CE2 3.62Å; Y82-W86 HydrophobicContact CD1-CE3 4.4Å; Y82-W86 AromaticContact CD1-CG 3.49Å; Y82-W86 HydrophobicContact CD1-CG 3.49Å; Y82-W86 VanDerWaalsContact CD1-CG 3.49Å; Y82-W86 HydrophobicContact CD1-CZ2 4.36Å; Y82-W86 AromaticContact CD1-NE1 3.46Å; Y82-W86 HydrophobicContact CD2-CD2 4.24Å; Y82-W86 HydrophobicContact CD2-CE3 4.33Å; Y82-W86 HydrophobicContact CD2-CH2 4.22Å; Y82-W86 HydrophobicContact CD2-CZ2 4.14Å; Y82-W86 HydrophobicContact CD2-CZ3 4.33Å; Y82-W86 AromaticContact CE1-CD1 3.78Å; Y82-W86 HydrophobicContact CE1-CD2 4.29Å; Y82-W86 AromaticContact CE1-CE2 3.8Å; Y82-W86 HydrophobicContact CE1-CG 4.26Å; Y82-W86 HydrophobicContact CE1-CZ2 4.33Å; Y82-W86 AromaticContact CE1-NE1 3.44Å; Y82-W86 HydrophobicContact CE2-CH2 4.45Å; Y82-W86 HydrophobicContact CE2-CZ2 4.09Å; Y82-W86 HydrophobicContact CG-CB 4.46Å; Y82-W86 AromaticContact CG-CD2 3.58Å; Y82-W86 HydrophobicContact CG-CD2 3.58Å; Y82-W86 AromaticContact CG-CE2 3.78Å; Y82-W86 AromaticContact CG-CE3 3.89Å; Y82-W86 HydrophobicContact CG-CE3 3.89Å; Y82-W86 AromaticContact CG-CG 3.85Å; Y82-W86 HydrophobicContact CG-CG 3.85Å; Y82-W86 HydrophobicContact CG-CZ2 4.25Å; Y82-W86 HydrophobicContact CG-CZ3 4.35Å
83N98.3Very high97.9Very high83 Ų8371.5 Ų71.544%0.44436%0.358SS..  trans-96.9-176.9-175.671.4-13000112.4D85 W86 I87N83-D85 VanDerWaalsContact C-N 3.35Å; N83-D85 PolarHBondContact ND2-OD2 3.5Å; N83-D85 PolarHBondContact O-N 3.4Å; N83-D85 PolarHBondContact OD1-N 3.03Å; N83-W86 PolarHBondContact O-N 2.98Å; N83-W86 PolarHBondContact OD1-N 2.93Å; N83-I87 WeakPolarHBondContact O-CG1 3.42Å; N83-I87 PolarHBondContact O-N 3.31Å; N83-I87 VanDerWaalsContact O-N 3.13Å
84K98.1Very high97.8Very high32 Ų3267.3 Ų67.314%0.13934%0.344CS..Hα-helixtrans-51.8-46.2175.6-71.3-172-179-167.90114.3I61 D62 L64 L67 W86 I87 K88I61-K84 HydrophobicContact CG2-CB 4.21Å; I61-K84 HydrophobicContact CG2-CD 4.08Å; I61-K84 HydrophobicContact CG2-CG 4.12Å; I61-K84 WeakPolarHBondContact O-CE 3.39Å; I61-K84 PolarHBondContact O-NZ 2.97Å; D62-K84 PolarHBondContact O-NZ 2.86Å; D62-K84 VanDerWaalsContact O-NZ 3.1Å; L64-K84 PolarHBondContact O-NZ 2.99Å; L67-K84 HydrophobicContact CB-CD 4.44Å; L67-K84 HydrophobicContact CB-CG 3.88Å; L67-K84 VanDerWaalsContact O-CG 3.26Å; L67-K84 WeakPolarHBondContact O-CG 3.45Å; L67-K84 PolarHBondContact O-N 3.31Å; K84-W86 VanDerWaalsContact C-N 3.3Å; K84-W86 PolarHBondContact O-N 3Å; K84-I87 WeakPolarHBondContact O-CB 3.36Å; K84-I87 PolarHBondContact O-N 3.49Å; K84-I87 VanDerWaalsContact O-N 3.15Å; K84-K88 WeakPolarHBondContact O-CG 3.14Å; K84-K88 PolarHBondContact O-N 3.11Å
85D98.3Very high97.6Very high104 Ų10465.9 Ų65.956%0.55633%0.325SS*.Hα-helixtrans-61.9-43.1-175.6-56.9-40.3000111N83 K88 E89N83-D85 VanDerWaalsContact C-N 3.35Å; N83-D85 PolarHBondContact ND2-OD2 3.5Å; N83-D85 PolarHBondContact O-N 3.4Å; N83-D85 PolarHBondContact OD1-N 3.03Å; D85-K88 PolarHBondContact O-N 2.83Å; D85-E89 PolarHBondContact O-N 2.91Å
86W98.6Very high97.5Very high44 Ų4467.6 Ų67.617%0.16732%0.323CS..Hα-helixtrans-63.8-42.5175.7-173.293.2000111.9V25 M29 C69 V71 Y82 N83 K84 E89 K90V25-W86 HydrophobicContact CG1-CH2 3.64Å; V25-W86 HydrophobicContact CG1-CZ3 4.14Å; V25-W86 HydrophobicContact CG2-CH2 4.47Å; M29-W86 HydrophobicContact CE-CZ3 3.99Å; C69-W86 VanDerWaalsContact SG-CZ3 3.54Å; V71-W86 HydrophobicContact CG2-CH2 3.95Å; V71-W86 HydrophobicContact CG2-CZ3 4.38Å; Y82-W86 HydrophobicContact CD1-CB 4.19Å; Y82-W86 AromaticContact CD1-CD1 3.42Å; Y82-W86 VanDerWaalsContact CD1-CD1 3.42Å; Y82-W86 AromaticContact CD1-CD2 3.63Å; Y82-W86 HydrophobicContact CD1-CD2 3.63Å; Y82-W86 AromaticContact CD1-CE2 3.62Å; Y82-W86 HydrophobicContact CD1-CE3 4.4Å; Y82-W86 AromaticContact CD1-CG 3.49Å; Y82-W86 HydrophobicContact CD1-CG 3.49Å; Y82-W86 VanDerWaalsContact CD1-CG 3.49Å; Y82-W86 HydrophobicContact CD1-CZ2 4.36Å; Y82-W86 AromaticContact CD1-NE1 3.46Å; Y82-W86 HydrophobicContact CD2-CD2 4.24Å; Y82-W86 HydrophobicContact CD2-CE3 4.33Å; Y82-W86 HydrophobicContact CD2-CH2 4.22Å; Y82-W86 HydrophobicContact CD2-CZ2 4.14Å; Y82-W86 HydrophobicContact CD2-CZ3 4.33Å; Y82-W86 AromaticContact CE1-CD1 3.78Å; Y82-W86 HydrophobicContact CE1-CD2 4.29Å; Y82-W86 AromaticContact CE1-CE2 3.8Å; Y82-W86 HydrophobicContact CE1-CG 4.26Å; Y82-W86 HydrophobicContact CE1-CZ2 4.33Å; Y82-W86 AromaticContact CE1-NE1 3.44Å; Y82-W86 HydrophobicContact CE2-CH2 4.45Å; Y82-W86 HydrophobicContact CE2-CZ2 4.09Å; Y82-W86 HydrophobicContact CG-CB 4.46Å; Y82-W86 AromaticContact CG-CD2 3.58Å; Y82-W86 HydrophobicContact CG-CD2 3.58Å; Y82-W86 AromaticContact CG-CE2 3.78Å; Y82-W86 AromaticContact CG-CE3 3.89Å; Y82-W86 HydrophobicContact CG-CE3 3.89Å; Y82-W86 AromaticContact CG-CG 3.85Å; Y82-W86 HydrophobicContact CG-CG 3.85Å; Y82-W86 HydrophobicContact CG-CZ2 4.25Å; Y82-W86 HydrophobicContact CG-CZ3 4.35Å; N83-W86 PolarHBondContact O-N 2.98Å; N83-W86 PolarHBondContact OD1-N 2.93Å; K84-W86 VanDerWaalsContact C-N 3.3Å; K84-W86 PolarHBondContact O-N 3Å; W86-E89 WeakPolarHBondContact O-CB 3.32Å; W86-E89 PolarHBondContact O-N 3.38Å; W86-K90 HydrophobicContact CD2-CG 3.91Å; W86-K90 HydrophobicContact CE3-CG 3.79Å; W86-K90 HydrophobicContact CH2-CD 4.43Å; W86-K90 HydrophobicContact CH2-CG 3.66Å; W86-K90 HydrophobicContact CZ2-CD 4.14Å; W86-K90 HydrophobicContact CZ2-CG 3.77Å; W86-K90 HydrophobicContact CZ3-CB 4.47Å; W86-K90 HydrophobicContact CZ3-CG 3.66Å; W86-K90 WeakPolarHBondContact O-CG 3.49Å; W86-K90 PolarHBondContact O-N 3.23Å
87I98.6Very high97.3Very high0 Ų070.6 Ų70.60%033%0.326CS..Hα-helixtrans-59.8-47.6176.1-69.7169.6000110.4L6 M29 V32 L67 C69 N83 K84 E89 K90 I91L6-I87 HydrophobicContact CD1-CD1 4.24Å; M29-I87 HydrophobicContact CE-CG1 4.4Å; M29-I87 HydrophobicContact SD-CB 4.35Å; M29-I87 HydrophobicContact SD-CG2 3.85Å; V32-I87 HydrophobicContact CG2-CG2 4.2Å; L67-I87 HydrophobicContact CD2-CD1 4.05Å; L67-I87 HydrophobicContact CD2-CG2 4.1Å; L67-I87 HydrophobicContact CG-CD1 3.86Å; C69-I87 HydrophobicContact CB-CD1 4.18Å; N83-I87 WeakPolarHBondContact O-CG1 3.42Å; N83-I87 PolarHBondContact O-N 3.31Å; N83-I87 VanDerWaalsContact O-N 3.13Å; K84-I87 WeakPolarHBondContact O-CB 3.36Å; K84-I87 PolarHBondContact O-N 3.49Å; K84-I87 VanDerWaalsContact O-N 3.15Å; I87-E89 VanDerWaalsContact C-N 3.34Å; I87-E89 PolarHBondContact O-N 3.38Å; I87-K90 PolarHBondContact O-N 2.91Å; I87-K90 VanDerWaalsContact O-N 3.16Å; I87-I91 HydrophobicContact CG2-CD1 3.75Å; I87-I91 HydrophobicContact CG2-CG1 4.43Å; I87-I91 WeakPolarHBondContact O-CG1 3.39Å; I87-I91 PolarHBondContact O-N 3.09Å
88K98.5Very high97Very high23 Ų2366.9 Ų66.910%0.131%0.309CS..Hα-helixtrans-58-44.1176.3-72.8178.8168.4-1660112.2F58 I61 D62 K84 D85 K90 I91 Y92F58-K88 HydrophobicContact CB-CD 4.26Å; F58-K88 HydrophobicContact CD1-CB 4.16Å; F58-K88 HydrophobicContact CD1-CD 4.23Å; F58-K88 HydrophobicContact CD1-CG 3.79Å; F58-K88 HydrophobicContact CD2-CD 4.44Å; F58-K88 HydrophobicContact CE1-CB 3.83Å; F58-K88 HydrophobicContact CE1-CG 3.97Å; F58-K88 HydrophobicContact CE2-CB 4.35Å; F58-K88 HydrophobicContact CG-CD 4.07Å; F58-K88 HydrophobicContact CG-CG 4.15Å; F58-K88 HydrophobicContact CZ-CB 3.93Å; F58-K88 HydrophobicContact CZ-CG 4.47Å; F58-K88 VanDerWaalsContact CZ-O 3.29Å; F58-K88 WeakPolarHBondContact CZ-O 3.5Å; F58-K88 WeakPolarHBondContact O-CE 3.49Å; F58-K88 PolarHBondContact O-NZ 3.14Å; I61-K88 HydrophobicContact CD1-CG 4.02Å; I61-K88 HydrophobicContact CG2-CD 4.39Å; I61-K88 HydrophobicContact CG2-CG 4.16Å; D62-K88 WeakPolarHBondContact OD1-CE 3.37Å; D62-K88 IonicContact OD1-NZ 3.63Å; D62-K88 PolarHBondContact OD1-NZ 3.18Å; D62-K88 IonicContact OD2-NZ 2.69Å; D62-K88 PolarHBondContact OD2-NZ 2.85Å; K84-K88 WeakPolarHBondContact O-CG 3.14Å; K84-K88 PolarHBondContact O-N 3.11Å; D85-K88 PolarHBondContact O-N 2.83Å; K88-K90 PolarHBondContact O-N 3.37Å; K88-I91 PolarHBondContact O-N 2.85Å; K88-Y92 PolarHBondContact O-N 3.39Å
89E98.3Very high96.6Very high101 Ų10166.9 Ų66.947%0.47232%0.315SS..Hα-helixtrans-60.2-44.3175.7-169.3-154.311700111.6D85 W86 I87 Y92 V93D85-E89 PolarHBondContact O-N 2.91Å; W86-E89 WeakPolarHBondContact O-CB 3.32Å; W86-E89 PolarHBondContact O-N 3.38Å; I87-E89 VanDerWaalsContact C-N 3.34Å; I87-E89 PolarHBondContact O-N 3.38Å; E89-Y92 WeakPolarHBondContact O-CB 3.32Å; E89-Y92 PolarHBondContact O-N 3.39Å; E89-V93 WeakPolarHBondContact O-CG2 3.5Å; E89-V93 PolarHBondContact O-N 2.95Å
90K98.1Very high96.3Very high61 Ų6167.7 Ų67.727%0.26532%0.322SS..Hα-helixtrans-68.2-37.6178.8-64.7-43.6173.6-150.60112.8M29 W86 I87 K88 V93 L94M29-K90 HydrophobicContact CG-CB 3.72Å; M29-K90 HydrophobicContact SD-CB 3.68Å; W86-K90 HydrophobicContact CD2-CG 3.91Å; W86-K90 HydrophobicContact CE3-CG 3.79Å; W86-K90 HydrophobicContact CH2-CD 4.43Å; W86-K90 HydrophobicContact CH2-CG 3.66Å; W86-K90 HydrophobicContact CZ2-CD 4.14Å; W86-K90 HydrophobicContact CZ2-CG 3.77Å; W86-K90 HydrophobicContact CZ3-CB 4.47Å; W86-K90 HydrophobicContact CZ3-CG 3.66Å; W86-K90 WeakPolarHBondContact O-CG 3.49Å; W86-K90 PolarHBondContact O-N 3.23Å; I87-K90 PolarHBondContact O-N 2.91Å; I87-K90 VanDerWaalsContact O-N 3.16Å; K88-K90 PolarHBondContact O-N 3.37Å; K90-V93 PolarHBondContact O-N 3.11Å; K90-L94 WeakPolarHBondContact O-CB 3.31Å; K90-L94 PolarHBondContact O-N 2.94Å
91I98.1Very high95.9Very high0 Ų070.8 Ų70.80%034%0.337CS..Hα-helixtrans-60.7-46.2171.4-70.9168.5000110.5M29 V32 L57 F58 I61 I87 K88 V93 L94 L95M29-I91 HydrophobicContact CB-CG1 3.9Å; M29-I91 HydrophobicContact CG-CG1 4.21Å; M29-I91 HydrophobicContact SD-CG1 3.93Å; V32-I91 HydrophobicContact CB-CD1 3.89Å; V32-I91 HydrophobicContact CG1-CD1 3.63Å; L57-I91 HydrophobicContact CD2-CG2 3.7Å; F58-I91 HydrophobicContact CE1-CB 4.36Å; F58-I91 HydrophobicContact CE1-CG2 4.08Å; I61-I91 HydrophobicContact CD1-CD1 3.79Å; I87-I91 HydrophobicContact CG2-CD1 3.75Å; I87-I91 HydrophobicContact CG2-CG1 4.43Å; I87-I91 WeakPolarHBondContact O-CG1 3.39Å; I87-I91 PolarHBondContact O-N 3.09Å; K88-I91 PolarHBondContact O-N 2.85Å; I91-V93 VanDerWaalsContact C-N 3.34Å; I91-V93 PolarHBondContact O-N 3.25Å; I91-L94 WeakPolarHBondContact O-CB 3.08Å; I91-L94 PolarHBondContact O-N 3.2Å; I91-L95 HydrophobicContact CG2-CD1 3.78Å; I91-L95 HydrophobicContact CG2-CG 4.21Å; I91-L95 WeakPolarHBondContact O-CG 3.31Å; I91-L95 PolarHBondContact O-N 3.36Å
92Y97.2Very high95.2Very high114 Ų11471.2 Ų71.245%0.44735%0.347SS..Hα-helixtrans-56.1-48.3177.3178.3-92.2000111.8I54 K88 E89 L94 R96I54-Y92 HydrophobicContact CD1-CD2 3.81Å; I54-Y92 HydrophobicContact CD1-CG 4.45Å; K88-Y92 PolarHBondContact O-N 3.39Å; E89-Y92 WeakPolarHBondContact O-CB 3.32Å; E89-Y92 PolarHBondContact O-N 3.39Å; Y92-L94 PolarHBondContact O-N 3.45Å; Y92-R96 VanDerWaalsContact O-CB 3.25Å; Y92-R96 WeakPolarHBondContact O-CB 3.47Å; Y92-R96 PolarHBondContact O-N 3.35Å
93V96.6Very high94.3Very high47 Ų4772.1 Ų72.129%0.28537%0.369SS..Hα-helixtrans-63.5-41.8178.4173.50000111.5E89 K90 I91 R97E89-V93 WeakPolarHBondContact O-CG2 3.5Å; E89-V93 PolarHBondContact O-N 2.95Å; K90-V93 PolarHBondContact O-N 3.11Å; I91-V93 VanDerWaalsContact C-N 3.34Å; I91-V93 PolarHBondContact O-N 3.25Å; V93-R97 VanDerWaalsContact O-CG 3.3Å; V93-R97 WeakPolarHBondContact O-CG 3.31Å; V93-R97 PolarHBondContact O-N 3.39Å; V93-R97 VanDerWaalsContact O-N 3.1Å
94L95.3Very high92.7Very high13 Ų1379.6 Ų79.67%0.06840%0.398CS..Hα-helixtrans-59.9-55.9178.2176.870.7000111.2N26 M29 E30 K90 I91 Y92 R96 R97 Q98N26-L94 HydrophobicContact CB-CD1 4.28Å; M29-L94 HydrophobicContact CB-CD2 3.79Å; E30-L94 HydrophobicContact CG-CD2 3.68Å; K90-L94 WeakPolarHBondContact O-CB 3.31Å; K90-L94 PolarHBondContact O-N 2.94Å; I91-L94 WeakPolarHBondContact O-CB 3.08Å; I91-L94 PolarHBondContact O-N 3.2Å; Y92-L94 PolarHBondContact O-N 3.45Å; L94-R96 VanDerWaalsContact C-N 3.34Å; L94-R96 PolarHBondContact O-N 2.91Å; L94-R97 WeakPolarHBondContact O-CB 3.45Å; L94-R97 PolarHBondContact O-N 3.43Å; L94-R97 VanDerWaalsContact O-N 3.13Å; L94-Q98 PolarHBondContact O-N 3.44Å
95L93.4Very high92.4Very high46 Ų4682 Ų8224%0.24141%0.411CS..Hα-helixtrans-64.5-39.3-176.4-66179.6000111.7I54 L57 I91 R97 Q98 A99I54-L95 HydrophobicContact CD1-CD1 3.97Å; I54-L95 HydrophobicContact CG1-CD1 4.27Å; L57-L95 HydrophobicContact CD2-CD1 4.49Å; I91-L95 HydrophobicContact CG2-CD1 3.78Å; I91-L95 HydrophobicContact CG2-CG 4.21Å; I91-L95 WeakPolarHBondContact O-CG 3.31Å; I91-L95 PolarHBondContact O-N 3.36Å; L95-R97 VanDerWaalsContact C-N 3.32Å; L95-R97 PolarHBondContact O-N 3.16Å; L95-Q98 PolarHBondContact O-N 3.28Å; L95-A99 WeakPolarHBondContact O-CB 3.29Å; L95-A99 PolarHBondContact O-N 3.47Å
96R94.1Very high92.1Very high146 Ų14680.8 Ų80.855%0.55140%0.403SS*.Hα-helixtrans-60.1-41.2174.1-178.4178.5170.5-174-0.4112Y92 L94 Q100Y92-R96 VanDerWaalsContact O-CB 3.25Å; Y92-R96 WeakPolarHBondContact O-CB 3.47Å; Y92-R96 PolarHBondContact O-N 3.35Å; L94-R96 VanDerWaalsContact C-N 3.34Å; L94-R96 PolarHBondContact O-N 2.91Å; R96-Q100 VanDerWaalsContact O-CG 3.32Å; R96-Q100 WeakPolarHBondContact O-CG 3.35Å; R96-Q100 PolarHBondContact O-N 2.86Å; R96-Q100 VanDerWaalsContact O-N 3.17Å
97R93.4Very high91.7Very high140 Ų14082.8 Ų82.853%0.52842%0.416SS..Hα-helixtrans-66.5-42.8177.1-76.4173177.4177.30.9111.8V93 L94 L95 Q100 Q101V93-R97 VanDerWaalsContact O-CG 3.3Å; V93-R97 WeakPolarHBondContact O-CG 3.31Å; V93-R97 PolarHBondContact O-N 3.39Å; V93-R97 VanDerWaalsContact O-N 3.1Å; L94-R97 WeakPolarHBondContact O-CB 3.45Å; L94-R97 PolarHBondContact O-N 3.43Å; L94-R97 VanDerWaalsContact O-N 3.13Å; L95-R97 VanDerWaalsContact C-N 3.32Å; L95-R97 PolarHBondContact O-N 3.16Å; R97-Q100 PolarHBondContact O-N 3.07Å; R97-Q101 WeakPolarHBondContact O-CG 3.41Å; R97-Q101 PolarHBondContact O-N 3.3Å
98Q90.3Very high91.3Very high75 Ų7587.7 Ų87.735%0.3544%0.441SS..Hα-helixtrans-62.1-44.6177.5-71.5175.8-9.700111.4L94 L95 Q100 Q101 A102L94-Q98 PolarHBondContact O-N 3.44Å; L95-Q98 PolarHBondContact O-N 3.28Å; Q98-Q100 VanDerWaalsContact C-N 3.31Å; Q98-Q100 PolarHBondContact O-N 2.71Å; Q98-Q101 PolarHBondContact O-N 3.17Å; Q98-Q101 VanDerWaalsContact O-N 3.12Å; Q98-A102 PolarHBondContact O-N 2.92Å
99A90Very high90.9Very high66 Ų6691.8 Ų91.855%0.54546%0.462SS..Hα-helixtrans-59.7-40.5176.300000112.5L95 Q101 A103L95-A99 WeakPolarHBondContact O-CB 3.29Å; L95-A99 PolarHBondContact O-N 3.47Å; A99-Q101 VanDerWaalsContact C-N 3.34Å; A99-Q101 PolarHBondContact O-N 3.03Å; A99-A103 PolarHBondContact O-N 3.37Å
100Q92Very high90.4Very high107 Ų10791.1 Ų91.150%0.546%0.461SS..Hα-helixtrans-67.5-32.1176.1-72.9175.5-15.900113.4R96 R97 Q98R96-Q100 VanDerWaalsContact O-CG 3.32Å; R96-Q100 WeakPolarHBondContact O-CG 3.35Å; R96-Q100 PolarHBondContact O-N 2.86Å; R96-Q100 VanDerWaalsContact O-N 3.17Å; R97-Q100 PolarHBondContact O-N 3.07Å; Q98-Q100 VanDerWaalsContact C-N 3.31Å; Q98-Q100 PolarHBondContact O-N 2.71Å
101Q89.1Confident89.8Confident136 Ų13693.3 Ų93.364%0.63648%0.475SS*.Hα-helixtrans-75.2-38.9177.2-72.8172.9-0.400111.8R97 Q98 A99 A103 K104R97-Q101 WeakPolarHBondContact O-CG 3.41Å; R97-Q101 PolarHBondContact O-N 3.3Å; Q98-Q101 PolarHBondContact O-N 3.17Å; Q98-Q101 VanDerWaalsContact O-N 3.12Å; A99-Q101 VanDerWaalsContact C-N 3.34Å; A99-Q101 PolarHBondContact O-N 3.03Å; Q101-A103 PolarHBondContact O-N 3.1Å; Q101-K104 PolarHBondContact O-N 3.34Å
102A85.3Confident89.2Confident87 Ų87100.5 Ų100.572%0.71951%0.512SS*.Hα-helixtrans-68.4-21.7177.600000113.5Q98 K104Q98-A102 PolarHBondContact O-N 2.92Å; A102-K104 VanDerWaalsContact C-N 3.35Å
103A79.4Confident88.5Confident90 Ų9099.3 Ų99.374%0.74452%0.517SS*.THydrogen-bonded Turntrans-86.5-1.8177.400000114.1A99 Q101A99-A103 PolarHBondContact O-N 3.37Å; Q101-A103 PolarHBondContact O-N 3.1Å
104K63.7Low87.8Confident239 Ų239104.1 Ų104.1100%1.03954%0.538SS*.  trans-97.60173.9-76-177.1176.7-174.70110.5Q101 A102Q101-K104 PolarHBondContact O-N 3.34Å; A102-K104 VanDerWaalsContact C-N 3.35Å

Retrieved 104 of 104 residues in 60.3 ms (Link to these results)

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