A0A093JMN2_STRCA Loading...

BTB/POZ domain-containing protein KCTD21

AlphaFold DB , UniProt , Accession A0A093JMN2, Species STRCA (Struthio camelus australis), Gene n/a, Length 260 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
1M49.8Very low87.2Confident246 Ų24671.4 Ų71.4100%1.21243%0.43SS*.  01280-64.8-152.6-170.700107.2
2S67.3Low88.1Confident58 Ų5872.6 Ų72.641%0.40643%0.426SS..PPolyproline II helixtrans-72.2142.5174.9340000109.6S17S2-S17 WeakPolarHBondContact OG-CB 3.41Å
3E81.8Confident88.8Confident169 Ų16973.8 Ų73.879%0.7943%0.428SS*.PPolyproline II helixtrans-58.8142.6176.8-70.5-174163.200110.8I5E3-I5 PolarHBondContact O-N 3.48Å
4P90.9Very high89.5Confident102 Ų10270.4 Ų70.466%0.66241%0.405SS*.EExtended strand (participates in β ladder)trans-65.5134.9177.526.3-32.3000110.6T15 T16P4-T15 HydrophobicContact CB-CG2 3.8Å; P4-T16 CarbonylContact C-O 3.55Å; P4-T16 WeakPolarHBondContact CA-O 3.33Å
5I92.3Very high90Very high44 Ų4470.7 Ų70.723%0.22641%0.409CS..EExtended strand (participates in β ladder)trans-111.1129.9176-60.8178.5000108E3 L7 T15 T16 L18 L21 F33E3-I5 PolarHBondContact O-N 3.48Å; I5-L7 HydrophobicContact CG2-CD2 4.23Å; I5-T15 WeakPolarHBondContact O-CA 3.45Å; I5-T16 PolarHBondContact N-O 2.96Å; I5-T16 PolarHBondContact O-N 3.46Å; I5-L18 HydrophobicContact CD1-CB 3.78Å; I5-L18 HydrophobicContact CD1-CD1 3.85Å; I5-L18 HydrophobicContact CD1-CG 4.41Å; I5-L21 HydrophobicContact CG2-CD1 4.28Å; I5-F33 HydrophobicContact CD1-CD1 4.49Å; I5-F33 HydrophobicContact CG2-CE1 4.1Å
6T95.5Very high90.4Very high40 Ų4067.2 Ų67.225%0.24539%0.389CS..EExtended strand (participates in β ladder)trans-102131.4173.9-600000110.9L13 Y14 T15 N46 C47T6-L13 HydrophobicContact CG2-CB 4.48Å; T6-L13 HydrophobicContact CG2-CD2 4.33Å; T6-Y14 CarbonylContact C-O 3.59Å; T6-Y14 WeakPolarHBondContact CA-O 3.43Å; T6-T15 PolarHBondContact OG1-OG1 3.03Å; T6-T15 VanDerWaalsContact OG1-OG1 3.08Å; T6-N46 WeakPolarHBondContact CB-OD1 3.42Å; T6-N46 HydrophobicContact CG2-CB 4.36Å; T6-N46 WeakPolarHBondContact CG2-OD1 3.47Å; T6-C47 PolarHBondContact O-N 2.92Å
7L96.1Very high90.6Very high0 Ų064.6 Ų64.60%038%0.376CS..EExtended strand (participates in β ladder)trans-110.9141.8176.3-53.7176.6000109.2I5 V9 L13 Y14 L21 F33 C47 F56I5-L7 HydrophobicContact CG2-CD2 4.23Å; L7-V9 HydrophobicContact CB-CG2 4.22Å; L7-L13 CarbonylContact O-C 3.57Å; L7-L13 VanDerWaalsContact O-CA 3.29Å; L7-L13 WeakPolarHBondContact O-CA 3.43Å; L7-Y14 PolarHBondContact N-O 2.9Å; L7-Y14 PolarHBondContact O-N 2.88Å; L7-L21 HydrophobicContact CD1-CD1 4.1Å; L7-L21 HydrophobicContact CD1-CD2 3.75Å; L7-L21 HydrophobicContact CD2-CD1 4.1Å; L7-L21 HydrophobicContact CG-CD1 4.42Å; L7-F33 HydrophobicContact CD2-CE1 3.92Å; L7-F33 HydrophobicContact CD2-CE2 4.07Å; L7-F33 HydrophobicContact CD2-CZ 3.27Å; L7-C47 CarbonylContact C-O 3.52Å; L7-C47 WeakPolarHBondContact CA-O 3.48Å; L7-C47 HydrophobicContact CD2-CB 3.82Å; L7-F56 HydrophobicContact CD1-CE1 3.96Å; L7-F56 HydrophobicContact CD1-CZ 3.85Å
8N97.3Very high90.7Very high21 Ų2165.1 Ų65.111%0.11238%0.376CS..EExtended strand (participates in β ladder)trans-109.5106167.2-177.8-15.2000108.6G11 L13 D42 N46 C47 F48 I49N8-G11 WeakPolarHBondContact OD1-CA 3.49Å; N8-G11 PolarHBondContact OD1-N 2.72Å; N8-L13 HydrophobicContact CB-CD2 3.7Å; N8-D42 WeakPolarHBondContact CB-OD2 3.46Å; N8-D42 PolarHBondContact ND2-OD2 2.87Å; N8-N46 HydrophobicContact CB-CB 4.31Å; N8-C47 PolarHBondContact N-O 3.44Å; N8-F48 HydrophobicContact CB-CD2 4.04Å; N8-F48 CarbonylContact O-C 3.6Å; N8-F48 WeakPolarHBondContact O-CA 3.49Å; N8-F48 VanDerWaalsContact O-CD2 3.31Å; N8-F48 WeakPolarHBondContact O-CD2 3.31Å; N8-I49 PolarHBondContact O-N 3.18Å
9V97.8Very high90.8Very high0 Ų065.3 Ų65.30%038%0.382CS..EExtended strand (participates in β ladder)trans-107.5103.1-178.9-170.50000108.9L7 G11 K12 Y14 I49 R51 G53 F56L7-V9 HydrophobicContact CB-CG2 4.22Å; V9-G11 PolarHBondContact O-N 3.39Å; V9-G11 VanDerWaalsContact O-N 3.17Å; V9-K12 PolarHBondContact N-O 2.82Å; V9-K12 PolarHBondContact O-N 3.21Å; V9-Y14 HydrophobicContact CB-CD2 4.46Å; V9-Y14 HydrophobicContact CG2-CD2 4.23Å; V9-I49 CarbonylContact C-O 3.52Å; V9-I49 VanDerWaalsContact CA-O 3.31Å; V9-I49 WeakPolarHBondContact CA-O 3.41Å; V9-I49 HydrophobicContact CG1-CB 4.32Å; V9-I49 HydrophobicContact CG1-CG2 4.4Å; V9-I49 HydrophobicContact CG2-CB 4.25Å; V9-I49 HydrophobicContact CG2-CD1 4.33Å; V9-R51 HydrophobicContact CG1-CB 4.08Å; V9-G53 WeakPolarHBondContact O-CA 3.33Å; V9-F56 HydrophobicContact CB-CB 4.44Å; V9-F56 HydrophobicContact CB-CD1 4.38Å; V9-F56 HydrophobicContact CB-CG 4.33Å; V9-F56 HydrophobicContact CG1-CB 3.96Å; V9-F56 HydrophobicContact CG1-CD2 4.34Å; V9-F56 HydrophobicContact CG1-CG 4.05Å; V9-F56 HydrophobicContact CG2-CD1 3.73Å; V9-F56 HydrophobicContact CG2-CD2 4.37Å; V9-F56 HydrophobicContact CG2-CE1 3.89Å; V9-F56 HydrophobicContact CG2-CG 3.97Å; V9-F56 HydrophobicContact CG2-CZ 4.28Å
10G96Very high91.1Very high46 Ų4663 Ų6347%0.47437%0.369SS..THydrogen-bonded Turntrans56.331.4-178.800000114.1I49 R51G10-I49 PolarHBondContact N-O 2.8Å; G10-R51 WeakPolarHBondContact CA-O 3.18Å; G10-R51 PolarHBondContact N-O 2.95Å
11G95Very high91.2Very high59 Ų5960 Ų6061%0.60835%0.351SS*.THydrogen-bonded Turntrans95-8.9-176.200000114.8N8 V9N8-G11 WeakPolarHBondContact OD1-CA 3.49Å; N8-G11 PolarHBondContact OD1-N 2.72Å; V9-G11 PolarHBondContact O-N 3.39Å; V9-G11 VanDerWaalsContact O-N 3.17Å
12K97.8Very high93.3Very high86 Ų8650.2 Ų50.237%0.37431%0.305SS..EExtended strand (participates in β ladder)trans-97.3124.5177.8-166169.2177.4-167.30111.2V9 Y14V9-K12 PolarHBondContact N-O 2.82Å; V9-K12 PolarHBondContact O-N 3.21Å; K12-Y14 HydrophobicContact CB-CE2 4.04Å; K12-Y14 HydrophobicContact CD-CE2 3.85Å; K12-Y14 WeakPolarHBondContact CD-OH 3.44Å; K12-Y14 VanDerWaalsContact CE-OH 3.24Å; K12-Y14 WeakPolarHBondContact CE-OH 3.23Å; K12-Y14 HydrophobicContact CG-CD2 4.43Å; K12-Y14 HydrophobicContact CG-CE2 3.75Å; K12-Y14 PolarHBondContact NZ-OH 3.34Å
13L97.6Very high94.6Very high88 Ų8849.7 Ų49.746%0.46130%0.302SS..EExtended strand (participates in β ladder)trans-83.2133.1-179.9-60.6-179.6000111.7T6 L7 N8T6-L13 HydrophobicContact CG2-CB 4.48Å; T6-L13 HydrophobicContact CG2-CD2 4.33Å; L7-L13 CarbonylContact O-C 3.57Å; L7-L13 VanDerWaalsContact O-CA 3.29Å; L7-L13 WeakPolarHBondContact O-CA 3.43Å; N8-L13 HydrophobicContact CB-CD2 3.7Å
14Y97.9Very high95.2Very high26 Ų2643.6 Ų43.610%0.10227%0.273CS..EExtended strand (participates in β ladder)trans-129.6133.1173-72.7-84.5000109.8T6 L7 V9 K12 G53 F56 R57 L60T6-Y14 CarbonylContact C-O 3.59Å; T6-Y14 WeakPolarHBondContact CA-O 3.43Å; L7-Y14 PolarHBondContact N-O 2.9Å; L7-Y14 PolarHBondContact O-N 2.88Å; V9-Y14 HydrophobicContact CB-CD2 4.46Å; V9-Y14 HydrophobicContact CG2-CD2 4.23Å; K12-Y14 HydrophobicContact CB-CE2 4.04Å; K12-Y14 HydrophobicContact CD-CE2 3.85Å; K12-Y14 WeakPolarHBondContact CD-OH 3.44Å; K12-Y14 VanDerWaalsContact CE-OH 3.24Å; K12-Y14 WeakPolarHBondContact CE-OH 3.23Å; K12-Y14 HydrophobicContact CG-CD2 4.43Å; K12-Y14 HydrophobicContact CG-CE2 3.75Å; K12-Y14 PolarHBondContact NZ-OH 3.34Å; Y14-G53 WeakPolarHBondContact CE2-O 3.3Å; Y14-G53 VanDerWaalsContact CZ-O 3.24Å; Y14-G53 PolarHBondContact OH-O 2.66Å; Y14-F56 HydrophobicContact CD1-CD1 4.43Å; Y14-F56 AromaticContact CD2-CD1 3.59Å; Y14-F56 HydrophobicContact CD2-CD1 3.59Å; Y14-F56 HydrophobicContact CD2-CE1 4.16Å; Y14-F56 HydrophobicContact CE2-CB 4.25Å; Y14-F56 AromaticContact CE2-CD1 3.75Å; Y14-F56 HydrophobicContact CE2-CD1 3.75Å; Y14-F56 HydrophobicContact CE2-CG 4.47Å; Y14-F56 AromaticContact CG-CD1 3.95Å; Y14-F56 HydrophobicContact CG-CD1 3.95Å; Y14-F56 HydrophobicContact CG-CE1 4.19Å; Y14-R57 HydrophobicContact CE1-CB 4.21Å; Y14-L60 HydrophobicContact CD1-CD2 3.62Å; Y14-L60 HydrophobicContact CE1-CD2 4.45Å; Y14-L60 HydrophobicContact CG-CD2 4.1Å
15T96.5Very high95.3Very high76 Ų7642.7 Ų42.747%0.46627%0.267SS..EExtended strand (participates in β ladder)trans-111.9130.9173.8-54.70000109.5P4 I5 T6 R64P4-T15 HydrophobicContact CB-CG2 3.8Å; I5-T15 WeakPolarHBondContact O-CA 3.45Å; T6-T15 PolarHBondContact OG1-OG1 3.03Å; T6-T15 VanDerWaalsContact OG1-OG1 3.08Å; T15-R64 PolarHBondContact O-NH2 3.27Å
16T96.2Very high95.3Very high14 Ų1448.1 Ų48.19%0.08630%0.296CS..EExtended strand (participates in β ladder)trans-152.1-171.5178.3-161.30000110P4 I5 T20 L21 L60P4-T16 CarbonylContact C-O 3.55Å; P4-T16 WeakPolarHBondContact CA-O 3.33Å; I5-T16 PolarHBondContact N-O 2.96Å; I5-T16 PolarHBondContact O-N 3.46Å; T16-T20 WeakPolarHBondContact OG1-CB 3.2Å; T16-T20 WeakPolarHBondContact OG1-CG2 3.32Å; T16-L21 HydrophobicContact CG2-CD1 3.89Å; T16-L21 HydrophobicContact CG2-CD2 3.74Å; T16-L21 HydrophobicContact CG2-CG 3.63Å; T16-L60 HydrophobicContact CG2-CD1 3.92Å
17S94.4Very high95.2Very high24 Ų2446.4 Ų46.417%0.16829%0.286CS..EExtended strand (participates in β ladder)trans-106.1161.1175.868.90000113S2 S19 T20 L21S2-S17 WeakPolarHBondContact OG-CB 3.41Å; S17-S19 VanDerWaalsContact C-N 3.25Å; S17-S19 PolarHBondContact O-N 3.43Å; S17-S19 PolarHBondContact OG-OG 2.94Å; S17-T20 PolarHBondContact O-N 3.4Å; S17-T20 VanDerWaalsContact O-N 3.16Å; S17-T20 PolarHBondContact OG-N 3.36Å; S17-T20 PolarHBondContact OG-OG1 2.93Å; S17-L21 PolarHBondContact O-N 3.46Å
18L92.5Very high95.1Very high72 Ų7248.4 Ų48.438%0.37730%0.295SS..Hα-helixtrans-54.6-43.7173.6-173.462.2000111.7I5 T20 L21 T22 F33I5-L18 HydrophobicContact CD1-CB 3.78Å; I5-L18 HydrophobicContact CD1-CD1 3.85Å; I5-L18 HydrophobicContact CD1-CG 4.41Å; L18-T20 PolarHBondContact O-N 2.98Å; L18-L21 PolarHBondContact O-N 3.09Å; L18-T22 HydrophobicContact CD1-CG2 3.94Å; L18-T22 HydrophobicContact CG-CG2 4.24Å; L18-T22 WeakPolarHBondContact O-CG2 3.45Å; L18-T22 PolarHBondContact O-N 3.16Å; L18-T22 PolarHBondContact O-OG1 3.17Å; L18-F33 HydrophobicContact CD1-CB 3.85Å; L18-F33 HydrophobicContact CD1-CD1 4.43Å
19S93.6Very high94.9Very high69 Ų6947.4 Ų47.448%0.48329%0.29SS..Hα-helixtrans-60.7-31.9-179.157.60000113.1S17 S23S17-S19 VanDerWaalsContact C-N 3.25Å; S17-S19 PolarHBondContact O-N 3.43Å; S17-S19 PolarHBondContact OG-OG 2.94Å; S19-S23 PolarHBondContact O-N 3.05Å; S19-S23 VanDerWaalsContact O-N 3.16Å
20T95.4Very high94.7Very high20 Ų2047.4 Ų47.412%0.12329%0.29CS..Hα-helixtrans-71.9-43.1173.7-59.70000111.4T16 S17 L18 T22 S23 L60 L63 R64T16-T20 WeakPolarHBondContact OG1-CB 3.2Å; T16-T20 WeakPolarHBondContact OG1-CG2 3.32Å; S17-T20 PolarHBondContact O-N 3.4Å; S17-T20 VanDerWaalsContact O-N 3.16Å; S17-T20 PolarHBondContact OG-N 3.36Å; S17-T20 PolarHBondContact OG-OG1 2.93Å; L18-T20 PolarHBondContact O-N 2.98Å; T20-T22 VanDerWaalsContact C-N 3.27Å; T20-T22 PolarHBondContact O-N 3.4Å; T20-S23 PolarHBondContact O-N 2.98Å; T20-S23 PolarHBondContact O-OG 3.27Å; T20-L60 HydrophobicContact CG2-CD1 3.99Å; T20-L63 HydrophobicContact CG2-CB 3.64Å; T20-R64 HydrophobicContact CG2-CG 3.66Å
21L94.4Very high94.4Very high0 Ų046.4 Ų46.40%028%0.277CS..Hα-helixtrans-71.3-25.5-178.8-63173.9000112.8I5 L7 T16 S17 L18 L29 G30 F33 L63I5-L21 HydrophobicContact CG2-CD1 4.28Å; L7-L21 HydrophobicContact CD1-CD1 4.1Å; L7-L21 HydrophobicContact CD1-CD2 3.75Å; L7-L21 HydrophobicContact CD2-CD1 4.1Å; L7-L21 HydrophobicContact CG-CD1 4.42Å; T16-L21 HydrophobicContact CG2-CD1 3.89Å; T16-L21 HydrophobicContact CG2-CD2 3.74Å; T16-L21 HydrophobicContact CG2-CG 3.63Å; S17-L21 PolarHBondContact O-N 3.46Å; L18-L21 PolarHBondContact O-N 3.09Å; L21-L29 CarbonylContact O-C 3.6Å; L21-G30 PolarHBondContact O-N 2.87Å; L21-F33 HydrophobicContact CB-CB 4.22Å; L21-F33 HydrophobicContact CB-CD2 3.97Å; L21-F33 HydrophobicContact CB-CG 4.02Å; L21-F33 HydrophobicContact CD1-CD1 3.83Å; L21-F33 HydrophobicContact CD1-CD2 3.91Å; L21-F33 HydrophobicContact CD1-CE1 3.8Å; L21-F33 HydrophobicContact CD1-CE2 3.91Å; L21-F33 HydrophobicContact CD1-CG 3.91Å; L21-F33 HydrophobicContact CD1-CZ 3.87Å; L21-F33 HydrophobicContact CG-CD2 4.43Å; L21-L63 HydrophobicContact CD2-CD1 4.33Å
22T93.2Very high94.2Very high41 Ų4144.6 Ų44.625%0.25225%0.254SS..THydrogen-bonded Turntrans-104.114.517867.10000113.1L18 T20 F24 F33L18-T22 HydrophobicContact CD1-CG2 3.94Å; L18-T22 HydrophobicContact CG-CG2 4.24Å; L18-T22 WeakPolarHBondContact O-CG2 3.45Å; L18-T22 PolarHBondContact O-N 3.16Å; L18-T22 PolarHBondContact O-OG1 3.17Å; T20-T22 VanDerWaalsContact C-N 3.27Å; T20-T22 PolarHBondContact O-N 3.4Å; T22-F24 PolarHBondContact O-N 2.88Å; T22-F33 HydrophobicContact CG2-CB 3.89Å
23S93.8Very high93.8Very high47 Ų4742 Ų4233%0.32924%0.242SC..SBendtrans-62.6-27.5178.958.60000112.2S19 T20 L63S19-S23 PolarHBondContact O-N 3.05Å; S19-S23 VanDerWaalsContact O-N 3.16Å; T20-S23 PolarHBondContact O-N 2.98Å; T20-S23 PolarHBondContact O-OG 3.27Å; S23-L63 PolarHBondContact OG-O 3.08Å
24F94.7Very high93.1Very high41 Ų4140.6 Ų40.618%0.1824%0.24CC..SBendtrans-119.691.8170.4-57.6-80.5000109.5T22 D26 S27 F62 L63 I89 P91T22-F24 PolarHBondContact O-N 2.88Å; F24-D26 PolarHBondContact O-N 2.92Å; F24-S27 WeakPolarHBondContact O-CB 3.34Å; F24-S27 PolarHBondContact O-N 3.13Å; F24-S27 VanDerWaalsContact O-N 3.1Å; F24-S27 PolarHBondContact O-OG 3.06Å; F24-F62 HydrophobicContact CE2-CD1 4.13Å; F24-F62 AromaticContact CE2-CE1 3.87Å; F24-F62 HydrophobicContact CE2-CE1 3.87Å; F24-F62 HydrophobicContact CZ-CD1 4.47Å; F24-F62 AromaticContact CZ-CE1 3.79Å; F24-F62 HydrophobicContact CZ-CE1 3.79Å; F24-L63 HydrophobicContact CD2-CD2 3.5Å; F24-L63 HydrophobicContact CE2-CD2 3.91Å; F24-I89 HydrophobicContact CB-CG2 4.37Å; F24-I89 HydrophobicContact CD1-CG2 4.41Å; F24-I89 HydrophobicContact CD2-CG2 3.71Å; F24-I89 HydrophobicContact CE2-CG2 4.06Å; F24-I89 HydrophobicContact CG-CG2 3.89Å; F24-P91 HydrophobicContact CD1-CG 4.06Å; F24-P91 HydrophobicContact CE1-CB 4.29Å; F24-P91 HydrophobicContact CE1-CG 3.72Å
25P92.8Very high92Very high82 Ų8242.7 Ų42.753%0.53227%0.27SS..THydrogen-bonded Turntrans-61-28.6-173.8-26.435.7000114.9S27 G30P25-S27 VanDerWaalsContact C-N 3.28Å; P25-G30 CarbonylContact O-C 3.52Å
26D92.6Very high90.5Very high159 Ų15946.9 Ų46.985%0.8528%0.281SS*.THydrogen-bonded Turntrans-83.5-4.2-179.2-57.1-41.2000113.2F24F24-D26 PolarHBondContact O-N 2.92Å
27S94.6Very high89.2Confident3 Ų351 Ų512%0.02130%0.301CS..SBendtrans-78.6166174.572.80000112F24 P25 L29 G30 A31 Q88F24-S27 WeakPolarHBondContact O-CB 3.34Å; F24-S27 PolarHBondContact O-N 3.13Å; F24-S27 VanDerWaalsContact O-N 3.1Å; F24-S27 PolarHBondContact O-OG 3.06Å; P25-S27 VanDerWaalsContact C-N 3.28Å; S27-L29 VanDerWaalsContact C-N 3.3Å; S27-L29 PolarHBondContact O-N 3.36Å; S27-G30 PolarHBondContact O-N 2.89Å; S27-G30 VanDerWaalsContact O-N 3.13Å; S27-G30 PolarHBondContact OG-N 3.13Å; S27-A31 PolarHBondContact O-N 2.84Å; S27-Q88 WeakPolarHBondContact CA-O 3.32Å
28M93.1Very high87.9Confident42 Ų4256 Ų5621%0.20733%0.333CS..Hα-helixtrans-58.4-41.4175-179.9-90.7-167.500111.9A31 M32 F86 Y87M28-A31 PolarHBondContact O-N 3.49Å; M28-M32 HydrophobicContact CE-CG 4.32Å; M28-M32 HydrophobicContact CE-SD 3.23Å; M28-M32 WeakPolarHBondContact CE-SD 3.48Å; M28-M32 WeakPolarHBondContact O-CG 3.46Å; M28-M32 PolarHBondContact O-N 2.91Å; M28-M32 HydrophobicContact SD-CG 4.18Å; M28-M32 HydrophobicContact SD-SD 3.32Å; M28-F86 HydrophobicContact CE-CE1 3.44Å; M28-F86 VanDerWaalsContact CE-CE1 3.44Å; M28-F86 HydrophobicContact CE-CZ 3.45Å; M28-F86 VanDerWaalsContact CE-CZ 3.45Å; M28-F86 HydrophobicContact SD-CE1 4.02Å; M28-Y87 WeakPolarHBondContact CB-O 3.23Å; M28-Y87 PolarHBondContact N-O 3.42Å; M28-Y87 HydrophobicContact SD-CD1 4.03Å; M28-Y87 HydrophobicContact SD-CE1 4.42Å
29L93.5Very high87.3Confident0 Ų055.1 Ų55.10%033%0.331CS..Hα-helixtrans-68.1-39.5175.4-67.3170.9000111.6L21 S27 A31 M32 F33 I49 F56 L63 Y87L21-L29 CarbonylContact O-C 3.6Å; S27-L29 VanDerWaalsContact C-N 3.3Å; S27-L29 PolarHBondContact O-N 3.36Å; L29-A31 VanDerWaalsContact C-N 3.31Å; L29-A31 PolarHBondContact O-N 2.73Å; L29-M32 HydrophobicContact CD2-SD 4.45Å; L29-M32 PolarHBondContact O-N 3Å; L29-F33 HydrophobicContact CD2-CD2 4.49Å; L29-F33 HydrophobicContact CD2-CE2 4.12Å; L29-F33 VanDerWaalsContact O-CD2 3.32Å; L29-F33 WeakPolarHBondContact O-CD2 3.12Å; L29-F33 PolarHBondContact O-N 3.37Å; L29-I49 HydrophobicContact CD2-CD1 3.89Å; L29-F56 HydrophobicContact CD1-CE2 4.12Å; L29-F56 HydrophobicContact CD1-CZ 4.41Å; L29-L63 HydrophobicContact CD1-CD1 3.69Å; L29-Y87 HydrophobicContact CD1-CD1 3.92Å; L29-Y87 HydrophobicContact CD1-CE1 4.37Å; L29-Y87 HydrophobicContact CD1-CG 4.47Å; L29-Y87 HydrophobicContact CD2-CD1 4.09Å; L29-Y87 HydrophobicContact CD2-CE1 4.11Å; L29-Y87 HydrophobicContact CG-CD1 3.8Å; L29-Y87 HydrophobicContact CG-CE1 4.3Å
30G92.5Very high87Confident0 Ų059.6 Ų59.60%034%0.341CS..Hα-helixtrans-57.6-43.317300000112.3L21 P25 S27 S34L21-G30 PolarHBondContact O-N 2.87Å; P25-G30 CarbonylContact O-C 3.52Å; S27-G30 PolarHBondContact O-N 2.89Å; S27-G30 VanDerWaalsContact O-N 3.13Å; S27-G30 PolarHBondContact OG-N 3.13Å; G30-S34 WeakPolarHBondContact O-CB 3.48Å; G30-S34 PolarHBondContact O-N 3.39Å; G30-S34 PolarHBondContact O-OG 3.17Å
31A90.9Very high86.8Confident25 Ų2565.6 Ų65.621%0.20737%0.366CS..Hα-helixtrans-67.1-43175.800000112.9S27 M28 L29 S34 M37S27-A31 PolarHBondContact O-N 2.84Å; M28-A31 PolarHBondContact O-N 3.49Å; L29-A31 VanDerWaalsContact C-N 3.31Å; L29-A31 PolarHBondContact O-N 2.73Å; A31-S34 PolarHBondContact O-OG 3.08Å; A31-M37 HydrophobicContact CB-CG 4.28Å; A31-M37 HydrophobicContact CB-SD 3.92Å
32M89.8Confident86.7Confident22 Ų2267 Ų6711%0.10837%0.373CS..Hα-helixtrans-61.9-43.4177.5-7518073.600112.8M28 L29 T39 I49M28-M32 HydrophobicContact CE-CG 4.32Å; M28-M32 HydrophobicContact CE-SD 3.23Å; M28-M32 WeakPolarHBondContact CE-SD 3.48Å; M28-M32 WeakPolarHBondContact O-CG 3.46Å; M28-M32 PolarHBondContact O-N 2.91Å; M28-M32 HydrophobicContact SD-CG 4.18Å; M28-M32 HydrophobicContact SD-SD 3.32Å; L29-M32 HydrophobicContact CD2-SD 4.45Å; L29-M32 PolarHBondContact O-N 3Å; M32-T39 HydrophobicContact CB-CG2 4.17Å; M32-T39 HydrophobicContact CE-CG2 3.79Å; M32-I49 HydrophobicContact CE-CD1 4.43Å; M32-I49 HydrophobicContact CE-CG1 4.2Å
33F88.9Confident86.6Confident30 Ų3071.2 Ų71.213%0.13240%0.404CS..Hα-helixtrans-97.3-3-172.3-70.7-82.7000114I5 L7 L18 L21 T22 L29 G35 C47I5-F33 HydrophobicContact CD1-CD1 4.49Å; I5-F33 HydrophobicContact CG2-CE1 4.1Å; L7-F33 HydrophobicContact CD2-CE1 3.92Å; L7-F33 HydrophobicContact CD2-CE2 4.07Å; L7-F33 HydrophobicContact CD2-CZ 3.27Å; L18-F33 HydrophobicContact CD1-CB 3.85Å; L18-F33 HydrophobicContact CD1-CD1 4.43Å; L21-F33 HydrophobicContact CB-CB 4.22Å; L21-F33 HydrophobicContact CB-CD2 3.97Å; L21-F33 HydrophobicContact CB-CG 4.02Å; L21-F33 HydrophobicContact CD1-CD1 3.83Å; L21-F33 HydrophobicContact CD1-CD2 3.91Å; L21-F33 HydrophobicContact CD1-CE1 3.8Å; L21-F33 HydrophobicContact CD1-CE2 3.91Å; L21-F33 HydrophobicContact CD1-CG 3.91Å; L21-F33 HydrophobicContact CD1-CZ 3.87Å; L21-F33 HydrophobicContact CG-CD2 4.43Å; T22-F33 HydrophobicContact CG2-CB 3.89Å; L29-F33 HydrophobicContact CD2-CD2 4.49Å; L29-F33 HydrophobicContact CD2-CE2 4.12Å; L29-F33 VanDerWaalsContact O-CD2 3.32Å; L29-F33 WeakPolarHBondContact O-CD2 3.12Å; L29-F33 PolarHBondContact O-N 3.37Å; F33-G35 VanDerWaalsContact C-N 3.25Å; F33-C47 HydrophobicContact CE1-CB 4.32Å; F33-C47 HydrophobicContact CZ-CB 3.99Å
34S83.2Confident86.5Confident59 Ų5976 Ų7641%0.41342%0.421SS..THydrogen-bonded Turntrans-83.12.2167.856.40000113.8G30 A31 K36G30-S34 WeakPolarHBondContact O-CB 3.48Å; G30-S34 PolarHBondContact O-N 3.39Å; G30-S34 PolarHBondContact O-OG 3.17Å; A31-S34 PolarHBondContact O-OG 3.08Å; S34-K36 VanDerWaalsContact C-N 3.26Å; S34-K36 PolarHBondContact O-N 2.92Å; S34-K36 WeakPolarHBondContact OG-CD 3.47Å; S34-K36 WeakPolarHBondContact OG-CG 3.38Å
35G74.5Confident86.3Confident71 Ų7175.9 Ų75.973%0.73243%0.432SS*.THydrogen-bonded Turntrans78.87-177.600000114F33F33-G35 VanDerWaalsContact C-N 3.25Å
36K66.3Low86.3Confident164 Ų16473.2 Ų73.271%0.71341%0.413SS*.SBendtrans-81.9-17.4-180-63.9178.4-175.4174.90113.2S34S34-K36 VanDerWaalsContact C-N 3.26Å; S34-K36 PolarHBondContact O-N 2.92Å; S34-K36 WeakPolarHBondContact OG-CD 3.47Å; S34-K36 WeakPolarHBondContact OG-CG 3.38Å
37M68.3Low86.3Confident100 Ų10066.1 Ų66.149%0.49338%0.376SS..SBendtrans-131141.8-179.2-60.9-169.573.700112.4A31 T39A31-M37 HydrophobicContact CB-CG 4.28Å; A31-M37 HydrophobicContact CB-SD 3.92Å; M37-T39 PolarHBondContact O-N 3.27Å
38P66.9Low86.3Confident130 Ų13068.9 Ų68.984%0.84439%0.388SS*.PPolyproline II helixtrans-67.2131.5173.525.9-30.9000110.9
39T79.4Confident86.4Confident53 Ų5367.1 Ų67.133%0.32538%0.379SS..PPolyproline II helixtrans-104129178.648.30000110.4M32 M37M32-T39 HydrophobicContact CB-CG2 4.17Å; M32-T39 HydrophobicContact CE-CG2 3.79Å; M37-T39 PolarHBondContact O-N 3.27Å
40K87.8Confident86.5Confident162 Ų16273.4 Ų73.470%0.70441%0.413SS*.PPolyproline II helixtrans-69.1143.9169.8-73-176.2179.8177.90108.8C47 F48K40-C47 WeakPolarHBondContact O-CA 3.48Å; K40-F48 PolarHBondContact O-N 2.94Å
41K91.7Very high86.7Confident147 Ų14776.9 Ų76.964%0.63943%0.426SS*.BIsolated β-bridgetrans-115.9146.4173.6-66.9-176.7176.1-171.50110.5G45 N46K41-G45 WeakPolarHBondContact CD-O 3.31Å; K41-N46 CarbonylContact C-O 3.51Å; K41-N46 WeakPolarHBondContact CA-O 3.36Å
42D92Very high87Confident30 Ų3078.5 Ų78.516%0.1643%0.431CS..  trans-77.4-179.517071.313000111.6N8 Q44 G45 N46 F48N8-D42 WeakPolarHBondContact CB-OD2 3.46Å; N8-D42 PolarHBondContact ND2-OD2 2.87Å; D42-Q44 PolarHBondContact O-N 3.06Å; D42-Q44 VanDerWaalsContact O-N 3.13Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.22Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.2Å; D42-Q44 PolarHBondContact OD1-N 3.09Å; D42-G45 PolarHBondContact O-N 2.94Å; D42-G45 PolarHBondContact OD1-N 3.35Å; D42-N46 PolarHBondContact N-O 2.87Å; D42-N46 PolarHBondContact OD1-N 3.35Å; D42-N46 PolarHBondContact OD1-ND2 2.81Å; D42-N46 WeakPolarHBondContact OD2-CB 3.07Å; D42-N46 PolarHBondContact OD2-ND2 3.39Å; D42-N46 VanDerWaalsContact OD2-ND2 3.08Å; D42-F48 HydrophobicContact CB-CB 4.44Å
43S91.5Very high87.4Confident128 Ų12877.8 Ų77.890%0.89543%0.429SS*.THydrogen-bonded Turntrans-64.1-14.5179.8600000114.2
44Q91.4Very high87.7Confident147 Ų14783.4 Ų83.469%0.68745%0.454SS*.THydrogen-bonded Turntrans-101.31.9177.6-59.5-175.833.600112D42D42-Q44 PolarHBondContact O-N 3.06Å; D42-Q44 VanDerWaalsContact O-N 3.13Å; D42-Q44 WeakPolarHBondContact OD1-CA 3.22Å; D42-Q44 WeakPolarHBondContact OD1-CB 3.2Å; D42-Q44 PolarHBondContact OD1-N 3.09Å
45G90.6Very high88.4Confident40 Ų4080.6 Ų80.641%0.41243%0.434SS..SBendtrans83.85.1179.400000114.8K41 D42K41-G45 WeakPolarHBondContact CD-O 3.31Å; D42-G45 PolarHBondContact O-N 2.94Å; D42-G45 PolarHBondContact OD1-N 3.35Å
46N92.2Very high89.6Confident26 Ų2677.2 Ų77.214%0.13940%0.399CS..PPolyproline II helixtrans-74.9146.3175.9-51.4-59.5000110.1T6 N8 K41 D42 F48T6-N46 WeakPolarHBondContact CB-OD1 3.42Å; T6-N46 HydrophobicContact CG2-CB 4.36Å; T6-N46 WeakPolarHBondContact CG2-OD1 3.47Å; N8-N46 HydrophobicContact CB-CB 4.31Å; K41-N46 CarbonylContact C-O 3.51Å; K41-N46 WeakPolarHBondContact CA-O 3.36Å; D42-N46 PolarHBondContact N-O 2.87Å; D42-N46 PolarHBondContact OD1-N 3.35Å; D42-N46 PolarHBondContact OD1-ND2 2.81Å; D42-N46 WeakPolarHBondContact OD2-CB 3.07Å; D42-N46 PolarHBondContact OD2-ND2 3.39Å; D42-N46 VanDerWaalsContact OD2-ND2 3.08Å; N46-F48 PolarHBondContact O-N 3.47Å
47C92.2Very high91Very high10 Ų1074.8 Ų74.87%0.06839%0.386CS..EExtended strand (participates in β ladder)trans-64.7121.8174.4-1790000109.8T6 L7 N8 F33 K40T6-C47 PolarHBondContact O-N 2.92Å; L7-C47 CarbonylContact C-O 3.52Å; L7-C47 WeakPolarHBondContact CA-O 3.48Å; L7-C47 HydrophobicContact CD2-CB 3.82Å; N8-C47 PolarHBondContact N-O 3.44Å; F33-C47 HydrophobicContact CE1-CB 4.32Å; F33-C47 HydrophobicContact CZ-CB 3.99Å; K40-C47 WeakPolarHBondContact O-CA 3.48Å
48F95.1Very high92.5Very high60 Ų6071.1 Ų71.126%0.26337%0.366SS..EExtended strand (participates in β ladder)trans-97.8130.8-176.9-179.5-110.4000111.6N8 K40 D42 N46 D50N8-F48 HydrophobicContact CB-CD2 4.04Å; N8-F48 CarbonylContact O-C 3.6Å; N8-F48 WeakPolarHBondContact O-CA 3.49Å; N8-F48 VanDerWaalsContact O-CD2 3.31Å; N8-F48 WeakPolarHBondContact O-CD2 3.31Å; K40-F48 PolarHBondContact O-N 2.94Å; D42-F48 HydrophobicContact CB-CB 4.44Å; N46-F48 PolarHBondContact O-N 3.47Å; F48-D50 HydrophobicContact CE1-CB 3.77Å; F48-D50 HydrophobicContact CZ-CB 4.05Å
49I95.3Very high93.9Very high6 Ų664.9 Ų64.93%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-125.6117.4175.9-55.1179.6000107.5N8 V9 G10 L29 M32 R51 F86 Y87N8-I49 PolarHBondContact O-N 3.18Å; V9-I49 CarbonylContact C-O 3.52Å; V9-I49 VanDerWaalsContact CA-O 3.31Å; V9-I49 WeakPolarHBondContact CA-O 3.41Å; V9-I49 HydrophobicContact CG1-CB 4.32Å; V9-I49 HydrophobicContact CG1-CG2 4.4Å; V9-I49 HydrophobicContact CG2-CB 4.25Å; V9-I49 HydrophobicContact CG2-CD1 4.33Å; G10-I49 PolarHBondContact N-O 2.8Å; L29-I49 HydrophobicContact CD2-CD1 3.89Å; M32-I49 HydrophobicContact CE-CD1 4.43Å; M32-I49 HydrophobicContact CE-CG1 4.2Å; I49-R51 HydrophobicContact CG2-CB 3.94Å; I49-R51 HydrophobicContact CG2-CG 3.58Å; I49-R51 PolarHBondContact O-N 2.93Å; I49-F86 HydrophobicContact CG2-CE1 4.36Å; I49-Y87 HydrophobicContact CG2-CE1 4.31Å
50D95.6Very high94.8Very high132 Ų13262.4 Ų62.471%0.70631%0.311SS*.  trans-8366.1-177-167.620000111.4F48F48-D50 HydrophobicContact CE1-CB 3.77Å; F48-D50 HydrophobicContact CZ-CB 4.05Å
51R96.9Very high95.3Very high72 Ų7257.2 Ų57.227%0.27229%0.291SS..SBendtrans-140.3174.8-174.6-64.1-57-62.2-176.2-1.9111.6V9 G10 I49 G53 E83 F86 Y87V9-R51 HydrophobicContact CG1-CB 4.08Å; G10-R51 WeakPolarHBondContact CA-O 3.18Å; G10-R51 PolarHBondContact N-O 2.95Å; I49-R51 HydrophobicContact CG2-CB 3.94Å; I49-R51 HydrophobicContact CG2-CG 3.58Å; I49-R51 PolarHBondContact O-N 2.93Å; R51-G53 PolarHBondContact O-N 2.86Å; R51-E83 WeakPolarHBondContact CB-OE2 3.48Å; R51-E83 IonicContact CZ-OE1 3.36Å; R51-E83 IonicContact CZ-OE2 3.57Å; R51-E83 IonicContact NE-OE1 3.34Å; R51-E83 PolarHBondContact NE-OE1 3.33Å; R51-E83 IonicContact NE-OE2 2.88Å; R51-E83 PolarHBondContact NE-OE2 3.16Å; R51-E83 VanDerWaalsContact NH2-CD 3.34Å; R51-E83 IonicContact NH2-OE1 2.72Å; R51-E83 PolarHBondContact NH2-OE1 3.13Å; R51-E83 IonicContact NH2-OE2 3.39Å; R51-E83 PolarHBondContact NH2-OE2 3.36Å; R51-F86 HydrophobicContact CG-CD1 3.84Å; R51-F86 HydrophobicContact CG-CE1 3.48Å; R51-F86 VanDerWaalsContact CG-CE1 3.48Å; R51-F86 HydrophobicContact CG-CE2 4.38Å; R51-F86 HydrophobicContact CG-CG 4.44Å; R51-F86 HydrophobicContact CG-CZ 3.77Å; R51-Y87 WeakPolarHBondContact CB-OH 3.23Å
52D97.7Very high95.6Very high59 Ų5950.5 Ų50.532%0.31626%0.262SS..  trans-69.2106.2-178.9-168.4-62.6000112K54 I55 F56 E83D52-K54 VanDerWaalsContact C-N 3.3Å; D52-K54 PolarHBondContact O-N 3.14Å; D52-K54 WeakPolarHBondContact OD1-CA 3.47Å; D52-K54 WeakPolarHBondContact OD1-CB 3.32Å; D52-K54 PolarHBondContact OD1-N 3.1Å; D52-I55 HydrophobicContact CB-CB 4.27Å; D52-I55 HydrophobicContact CB-CG1 4.3Å; D52-I55 PolarHBondContact OD1-N 3.4Å; D52-F56 WeakPolarHBondContact O-CB 3.03Å; D52-F56 PolarHBondContact O-N 3.22Å; D52-F56 VanDerWaalsContact O-N 3.09Å; D52-E83 HydrophobicContact CB-CG 4.43Å
53G97.1Very high95.8Very high7 Ų749.4 Ų49.47%0.07226%0.256CS..THydrogen-bonded Turntrans-64.1-29.4179.100000113.9V9 Y14 R51V9-G53 WeakPolarHBondContact O-CA 3.33Å; Y14-G53 WeakPolarHBondContact CE2-O 3.3Å; Y14-G53 VanDerWaalsContact CZ-O 3.24Å; Y14-G53 PolarHBondContact OH-O 2.66Å; R51-G53 PolarHBondContact O-N 2.86Å
54K96.9Very high96Very high149 Ų14949.1 Ų49.165%0.64824%0.235SC*.THydrogen-bonded Turntrans-71.7-47.7-179.3-67.8179.2-178.5175.10110.7D52 F56 R57D52-K54 VanDerWaalsContact C-N 3.3Å; D52-K54 PolarHBondContact O-N 3.14Å; D52-K54 WeakPolarHBondContact OD1-CA 3.47Å; D52-K54 WeakPolarHBondContact OD1-CB 3.32Å; D52-K54 PolarHBondContact OD1-N 3.1Å; K54-F56 VanDerWaalsContact C-N 3.3Å; K54-F56 PolarHBondContact O-N 3.22Å; K54-R57 WeakPolarHBondContact O-CB 3.44Å; K54-R57 PolarHBondContact O-N 3.16Å
55I97.7Very high96.3Very high0 Ų045.2 Ų45.20%022%0.221CC..THydrogen-bonded Turntrans-66.4-33.6178.9-61.5-62.1000111.3D52 R57 Y58 F74 E76 L79 L80 E83D52-I55 HydrophobicContact CB-CB 4.27Å; D52-I55 HydrophobicContact CB-CG1 4.3Å; D52-I55 PolarHBondContact OD1-N 3.4Å; I55-R57 PolarHBondContact O-N 3.46Å; I55-Y58 WeakPolarHBondContact O-CD2 3.35Å; I55-Y58 PolarHBondContact O-N 3.4Å; I55-F74 HydrophobicContact CD1-CE2 4.45Å; I55-F74 HydrophobicContact CD1-CZ 4.14Å; I55-E76 HydrophobicContact CD1-CB 3.97Å; I55-L79 HydrophobicContact CD1-CB 4.21Å; I55-L79 HydrophobicContact CG1-CB 4.18Å; I55-L80 HydrophobicContact CG2-CB 4.33Å; I55-L80 HydrophobicContact CG2-CD1 3.75Å; I55-E83 HydrophobicContact CB-CG 3.96Å; I55-E83 HydrophobicContact CG2-CB 3.8Å; I55-E83 HydrophobicContact CG2-CG 3.51Å
56F98.1Very high96.5Very high0 Ų046.7 Ų46.70%023%0.225CC..Hα-helixtrans-54-25.6178-172.5-105.4000114.3L7 V9 Y14 L29 D52 K54 Y58 I59 L60 Y87L7-F56 HydrophobicContact CD1-CE1 3.96Å; L7-F56 HydrophobicContact CD1-CZ 3.85Å; V9-F56 HydrophobicContact CB-CB 4.44Å; V9-F56 HydrophobicContact CB-CD1 4.38Å; V9-F56 HydrophobicContact CB-CG 4.33Å; V9-F56 HydrophobicContact CG1-CB 3.96Å; V9-F56 HydrophobicContact CG1-CD2 4.34Å; V9-F56 HydrophobicContact CG1-CG 4.05Å; V9-F56 HydrophobicContact CG2-CD1 3.73Å; V9-F56 HydrophobicContact CG2-CD2 4.37Å; V9-F56 HydrophobicContact CG2-CE1 3.89Å; V9-F56 HydrophobicContact CG2-CG 3.97Å; V9-F56 HydrophobicContact CG2-CZ 4.28Å; Y14-F56 HydrophobicContact CD1-CD1 4.43Å; Y14-F56 AromaticContact CD2-CD1 3.59Å; Y14-F56 HydrophobicContact CD2-CD1 3.59Å; Y14-F56 HydrophobicContact CD2-CE1 4.16Å; Y14-F56 HydrophobicContact CE2-CB 4.25Å; Y14-F56 AromaticContact CE2-CD1 3.75Å; Y14-F56 HydrophobicContact CE2-CD1 3.75Å; Y14-F56 HydrophobicContact CE2-CG 4.47Å; Y14-F56 AromaticContact CG-CD1 3.95Å; Y14-F56 HydrophobicContact CG-CD1 3.95Å; Y14-F56 HydrophobicContact CG-CE1 4.19Å; L29-F56 HydrophobicContact CD1-CE2 4.12Å; L29-F56 HydrophobicContact CD1-CZ 4.41Å; D52-F56 WeakPolarHBondContact O-CB 3.03Å; D52-F56 PolarHBondContact O-N 3.22Å; D52-F56 VanDerWaalsContact O-N 3.09Å; K54-F56 VanDerWaalsContact C-N 3.3Å; K54-F56 PolarHBondContact O-N 3.22Å; F56-Y58 PolarHBondContact O-N 3.27Å; F56-I59 HydrophobicContact CD2-CB 4.18Å; F56-I59 HydrophobicContact CD2-CG1 4.49Å; F56-I59 HydrophobicContact CE2-CB 4.47Å; F56-I59 HydrophobicContact CE2-CG2 4.42Å; F56-I59 WeakPolarHBondContact O-CB 3.47Å; F56-I59 PolarHBondContact O-N 3.42Å; F56-L60 HydrophobicContact CD1-CB 4.32Å; F56-L60 HydrophobicContact CE1-CB 4.03Å; F56-L60 HydrophobicContact CE1-CD2 4.26Å; F56-L60 WeakPolarHBondContact O-CB 3.34Å; F56-L60 PolarHBondContact O-N 2.75Å; F56-Y87 HydrophobicContact CD2-CE1 4.17Å; F56-Y87 AromaticContact CD2-CE2 3.73Å; F56-Y87 HydrophobicContact CD2-CE2 3.73Å; F56-Y87 AromaticContact CD2-CZ 3.46Å; F56-Y87 VanDerWaalsContact CD2-CZ 3.46Å; F56-Y87 VanDerWaalsContact CD2-OH 3.23Å; F56-Y87 WeakPolarHBondContact CD2-OH 3.43Å; F56-Y87 AromaticContact CE2-CE1 3.89Å; F56-Y87 HydrophobicContact CE2-CE1 3.89Å; F56-Y87 HydrophobicContact CE2-CE2 4.18Å; F56-Y87 AromaticContact CE2-CZ 3.68Å
57R97.4Very high96.7Very high113 Ų11351.4 Ų51.443%0.42625%0.246SC..Hα-helixtrans-53.4-42.4174.2-177.8175.767.1152.3-1.2112.2Y14 K54 I55 L60 N61Y14-R57 HydrophobicContact CE1-CB 4.21Å; K54-R57 WeakPolarHBondContact O-CB 3.44Å; K54-R57 PolarHBondContact O-N 3.16Å; I55-R57 PolarHBondContact O-N 3.46Å; R57-L60 PolarHBondContact O-N 2.95Å; R57-N61 WeakPolarHBondContact O-CB 3.5Å; R57-N61 VanDerWaalsContact O-CG 3.3Å; R57-N61 PolarHBondContact O-N 2.69Å
58Y98Very high96.9Very high22 Ų2252.5 Ų52.59%0.08625%0.251CS..Hα-helixtrans-71.2-40.5-178.1-57.6-71.6000111.3I55 F56 L60 N61 F62 D69 L70 P71 F74I55-Y58 WeakPolarHBondContact O-CD2 3.35Å; I55-Y58 PolarHBondContact O-N 3.4Å; F56-Y58 PolarHBondContact O-N 3.27Å; Y58-L60 PolarHBondContact O-N 3.23Å; Y58-N61 PolarHBondContact O-N 3.14Å; Y58-F62 PolarHBondContact O-N 3.03Å; Y58-D69 WeakPolarHBondContact CD1-O 3.5Å; Y58-L70 HydrophobicContact CD1-CD2 3.76Å; Y58-L70 HydrophobicContact CE1-CD2 4.14Å; Y58-L70 HydrophobicContact CG-CD2 4.08Å; Y58-P71 HydrophobicContact CE1-CG 4.42Å; Y58-F74 HydrophobicContact CD2-CE2 4.22Å; Y58-F74 HydrophobicContact CD2-CZ 4.48Å; Y58-F74 HydrophobicContact CE2-CD2 4.33Å; Y58-F74 AromaticContact CE2-CE2 3.54Å; Y58-F74 HydrophobicContact CE2-CE2 3.54Å; Y58-F74 HydrophobicContact CE2-CZ 4.2Å; Y58-F74 AromaticContact CZ-CE2 3.72Å
59I98.1Very high96.7Very high0 Ų054.2 Ų54.20%026%0.263CS..Hα-helixtrans-58.7-49.5173.2-48.1-58.1000110F56 N61 F62 L63 L80 E83 V84 Y87 I89 L92F56-I59 HydrophobicContact CD2-CB 4.18Å; F56-I59 HydrophobicContact CD2-CG1 4.49Å; F56-I59 HydrophobicContact CE2-CB 4.47Å; F56-I59 HydrophobicContact CE2-CG2 4.42Å; F56-I59 WeakPolarHBondContact O-CB 3.47Å; F56-I59 PolarHBondContact O-N 3.42Å; I59-N61 PolarHBondContact O-N 3.48Å; I59-F62 WeakPolarHBondContact O-CB 3.35Å; I59-F62 PolarHBondContact O-N 2.93Å; I59-L63 WeakPolarHBondContact O-CG 3.2Å; I59-L63 PolarHBondContact O-N 3.37Å; I59-L80 HydrophobicContact CD1-CD1 4.03Å; I59-E83 HydrophobicContact CD1-CB 4.4Å; I59-V84 HydrophobicContact CD1-CG2 3.52Å; I59-Y87 HydrophobicContact CB-CD2 4.42Å; I59-Y87 HydrophobicContact CD1-CD2 4.33Å; I59-Y87 HydrophobicContact CG1-CD2 3.91Å; I59-Y87 HydrophobicContact CG1-CE2 4.11Å; I59-Y87 HydrophobicContact CG2-CD2 3.88Å; I59-Y87 HydrophobicContact CG2-CE2 4.48Å; I59-Y87 HydrophobicContact CG2-CG 4.17Å; I59-I89 HydrophobicContact CG2-CD1 3.65Å; I59-L92 HydrophobicContact CD1-CD2 3.68Å; I59-L92 HydrophobicContact CG2-CD2 4.26Å
60L97.9Very high96.6Very high1 Ų155.8 Ų55.81%0.00527%0.272CS..Hα-helixtrans-65.1-37.4-179-178.259.6000112.7Y14 T16 T20 F56 R57 Y58 L63 R64Y14-L60 HydrophobicContact CD1-CD2 3.62Å; Y14-L60 HydrophobicContact CE1-CD2 4.45Å; Y14-L60 HydrophobicContact CG-CD2 4.1Å; T16-L60 HydrophobicContact CG2-CD1 3.92Å; T20-L60 HydrophobicContact CG2-CD1 3.99Å; F56-L60 HydrophobicContact CD1-CB 4.32Å; F56-L60 HydrophobicContact CE1-CB 4.03Å; F56-L60 HydrophobicContact CE1-CD2 4.26Å; F56-L60 WeakPolarHBondContact O-CB 3.34Å; F56-L60 PolarHBondContact O-N 2.75Å; R57-L60 PolarHBondContact O-N 2.95Å; Y58-L60 PolarHBondContact O-N 3.23Å; L60-L63 HydrophobicContact CD1-CD1 4.49Å; L60-L63 PolarHBondContact O-N 2.87Å; L60-R64 WeakPolarHBondContact O-CG 3.39Å; L60-R64 PolarHBondContact O-N 2.6Å
61N97.8Very high96.3Very high53 Ų5352 Ų5228%0.28325%0.254SS..Hα-helixtrans-66.8-42.2174.9-76.3-10.5000111.3R57 Y58 I59 L63 R64 T65R57-N61 WeakPolarHBondContact O-CB 3.5Å; R57-N61 VanDerWaalsContact O-CG 3.3Å; R57-N61 PolarHBondContact O-N 2.69Å; Y58-N61 PolarHBondContact O-N 3.14Å; I59-N61 PolarHBondContact O-N 3.48Å; N61-L63 VanDerWaalsContact C-N 3.29Å; N61-L63 PolarHBondContact O-N 2.78Å; N61-R64 WeakPolarHBondContact O-CA 3.42Å; N61-R64 WeakPolarHBondContact O-CB 3.29Å; N61-R64 PolarHBondContact O-N 3.11Å; N61-R64 PolarHBondContact OD1-NH1 2.91Å; N61-T65 PolarHBondContact O-N 3.02Å; N61-T65 PolarHBondContact O-OG1 2.94Å; N61-T65 VanDerWaalsContact O-OG1 3.1Å
62F98.1Very high95.3Very high6 Ų658 Ų583%0.02629%0.285CS..Hα-helixtrans-57.8-42.1172.9-173.9-86.1000111.7F24 Y58 I59 R64 T65 S66 H67 L68 I89 P91 L92 A95F24-F62 HydrophobicContact CE2-CD1 4.13Å; F24-F62 AromaticContact CE2-CE1 3.87Å; F24-F62 HydrophobicContact CE2-CE1 3.87Å; F24-F62 HydrophobicContact CZ-CD1 4.47Å; F24-F62 AromaticContact CZ-CE1 3.79Å; F24-F62 HydrophobicContact CZ-CE1 3.79Å; Y58-F62 PolarHBondContact O-N 3.03Å; I59-F62 WeakPolarHBondContact O-CB 3.35Å; I59-F62 PolarHBondContact O-N 2.93Å; F62-R64 PolarHBondContact O-N 2.77Å; F62-R64 VanDerWaalsContact O-N 3.15Å; F62-T65 PolarHBondContact O-N 3.28Å; F62-S66 WeakPolarHBondContact O-CA 3.35Å; F62-S66 PolarHBondContact O-N 3.1Å; F62-H67 VanDerWaalsContact CD2-C 3.44Å; F62-H67 WeakPolarHBondContact CD2-O 3.36Å; F62-L68 HydrophobicContact CD2-CB 4.19Å; F62-I89 HydrophobicContact CD1-CG2 4.2Å; F62-I89 HydrophobicContact CE1-CG2 3.92Å; F62-P91 HydrophobicContact CE1-CB 4.31Å; F62-P91 HydrophobicContact CZ-CB 4.01Å; F62-L92 HydrophobicContact CB-CD1 4.14Å; F62-L92 HydrophobicContact CB-CD2 4.26Å; F62-L92 HydrophobicContact CD1-CB 3.78Å; F62-L92 HydrophobicContact CD1-CD1 4.3Å; F62-L92 HydrophobicContact CD1-CD2 4.21Å; F62-L92 HydrophobicContact CD1-CG 4.31Å; F62-L92 HydrophobicContact CD2-CB 4.3Å; F62-L92 HydrophobicContact CD2-CD1 3.56Å; F62-L92 HydrophobicContact CD2-CG 4.39Å; F62-L92 HydrophobicContact CE1-CB 3.65Å; F62-L92 HydrophobicContact CE2-CB 4.17Å; F62-L92 HydrophobicContact CE2-CD1 4Å; F62-L92 HydrophobicContact CG-CB 4.12Å; F62-L92 HydrophobicContact CG-CD1 3.73Å; F62-L92 HydrophobicContact CG-CD2 4.17Å; F62-L92 HydrophobicContact CG-CG 4.21Å; F62-L92 HydrophobicContact CZ-CB 3.85Å; F62-A95 HydrophobicContact CE2-CB 4.2Å
63L96.9Very high94.2Very high6 Ų660 Ų603%0.03130%0.296CS..Hα-helixtrans-61.2-23.6175.6-67177.4000113.9T20 L21 S23 F24 L29 I59 L60 N61 I89T20-L63 HydrophobicContact CG2-CB 3.64Å; L21-L63 HydrophobicContact CD2-CD1 4.33Å; S23-L63 PolarHBondContact OG-O 3.08Å; F24-L63 HydrophobicContact CD2-CD2 3.5Å; F24-L63 HydrophobicContact CE2-CD2 3.91Å; L29-L63 HydrophobicContact CD1-CD1 3.69Å; I59-L63 WeakPolarHBondContact O-CG 3.2Å; I59-L63 PolarHBondContact O-N 3.37Å; L60-L63 HydrophobicContact CD1-CD1 4.49Å; L60-L63 PolarHBondContact O-N 2.87Å; N61-L63 VanDerWaalsContact C-N 3.29Å; N61-L63 PolarHBondContact O-N 2.78Å; L63-I89 HydrophobicContact CD2-CD1 3.63Å; L63-I89 HydrophobicContact CD2-CG1 4.33Å; L63-I89 HydrophobicContact CG-CD1 4.21Å
64R96.1Very high93.7Very high122 Ų12260.9 Ų60.946%0.4630%0.298SS..Hα-helixtrans-89.4-40.5-179.6-68.8167.2175.1161.9-6.2112.6T15 T20 L60 N61 F62T15-R64 PolarHBondContact O-NH2 3.27Å; T20-R64 HydrophobicContact CG2-CG 3.66Å; L60-R64 WeakPolarHBondContact O-CG 3.39Å; L60-R64 PolarHBondContact O-N 2.6Å; N61-R64 WeakPolarHBondContact O-CA 3.42Å; N61-R64 WeakPolarHBondContact O-CB 3.29Å; N61-R64 PolarHBondContact O-N 3.11Å; N61-R64 PolarHBondContact OD1-NH1 2.91Å; F62-R64 PolarHBondContact O-N 2.77Å; F62-R64 VanDerWaalsContact O-N 3.15Å
65T96.3Very high92.9Very high66 Ų6659.8 Ų59.841%0.40530%0.295SS..Hα-helixtrans-109.2-17.1-170.762.20000113.3N61 F62 H67N61-T65 PolarHBondContact O-N 3.02Å; N61-T65 PolarHBondContact O-OG1 2.94Å; N61-T65 VanDerWaalsContact O-OG1 3.1Å; F62-T65 PolarHBondContact O-N 3.28Å; T65-H67 PolarHBondContact O-N 2.94Å; T65-H67 PolarHBondContact O-ND1 2.52Å; T65-H67 PolarHBondContact OG1-N 2.76Å; T65-H67 PolarHBondContact OG1-O 3.49Å
66S95.8Very high92.6Very high71 Ų7163.7 Ų63.750%0.49731%0.313SS..SBendtrans58.523.2-166.4-54.90000113.9F62F62-S66 WeakPolarHBondContact O-CA 3.35Å; F62-S66 PolarHBondContact O-N 3.1Å
67H95.8Very high92.2Very high125 Ų12565.2 Ų65.258%0.57932%0.321SS*.SBendtrans-125.3140178-66.677.3000110.6F62 T65 D69F62-H67 VanDerWaalsContact CD2-C 3.44Å; F62-H67 WeakPolarHBondContact CD2-O 3.36Å; T65-H67 PolarHBondContact O-N 2.94Å; T65-H67 PolarHBondContact O-ND1 2.52Å; T65-H67 PolarHBondContact OG1-N 2.76Å; T65-H67 PolarHBondContact OG1-O 3.49Å; H67-D69 PolarHBondContact O-N 3.38Å
68L95.9Very high91.9Very high32 Ų3261.9 Ų61.917%0.16832%0.322CS..  trans-9093.2177177.857000110F62 L70 L80 L92 A95 L96F62-L68 HydrophobicContact CD2-CB 4.19Å; L68-L70 HydrophobicContact CD1-CD1 4.5Å; L68-L70 HydrophobicContact CD1-CD2 3.95Å; L68-L70 HydrophobicContact CD1-CG 4.09Å; L68-L70 HydrophobicContact CD2-CD1 4.47Å; L68-L70 HydrophobicContact CG-CD1 4.38Å; L68-L70 HydrophobicContact CG-CG 4.18Å; L68-L80 HydrophobicContact CD1-CD2 4.37Å; L68-L92 HydrophobicContact CB-CD1 4.4Å; L68-L92 HydrophobicContact CD1-CD1 3.87Å; L68-L92 HydrophobicContact CD2-CD1 4.33Å; L68-L92 HydrophobicContact CG-CD1 4.42Å; L68-A95 HydrophobicContact CB-CB 4.2Å; L68-A95 HydrophobicContact CD2-CB 4.44Å; L68-L96 HydrophobicContact CD2-CB 4.08Å; L68-L96 HydrophobicContact CD2-CD1 3.97Å
69D92.2Very high91.7Very high97 Ų9763.7 Ų63.752%0.51933%0.333SS..  trans-96.6111.3179.8-59-44.9000111Y58 H67Y58-D69 WeakPolarHBondContact CD1-O 3.5Å; H67-D69 PolarHBondContact O-N 3.38Å
70L93Very high91.7Very high39 Ų3963.7 Ų63.720%0.20433%0.333CS..  trans-115.3145177.1-59.3178.2000110.4Y58 L68 F74 M77 L80Y58-L70 HydrophobicContact CD1-CD2 3.76Å; Y58-L70 HydrophobicContact CE1-CD2 4.14Å; Y58-L70 HydrophobicContact CG-CD2 4.08Å; L68-L70 HydrophobicContact CD1-CD1 4.5Å; L68-L70 HydrophobicContact CD1-CD2 3.95Å; L68-L70 HydrophobicContact CD1-CG 4.09Å; L68-L70 HydrophobicContact CD2-CD1 4.47Å; L68-L70 HydrophobicContact CG-CD1 4.38Å; L68-L70 HydrophobicContact CG-CG 4.18Å; L70-F74 HydrophobicContact CB-CB 4.18Å; L70-F74 HydrophobicContact CB-CG 4.35Å; L70-F74 HydrophobicContact CD1-CD1 3.97Å; L70-F74 HydrophobicContact CD1-CE1 4.37Å; L70-F74 HydrophobicContact CD2-CD1 4.2Å; L70-F74 HydrophobicContact CD2-CE1 4.23Å; L70-F74 HydrophobicContact CD2-CG 4.34Å; L70-F74 HydrophobicContact CD2-CZ 4.42Å; L70-F74 HydrophobicContact CG-CD1 4.48Å; L70-M77 HydrophobicContact CD1-SD 3.76Å; L70-L80 HydrophobicContact CD1-CD2 3.94Å; L70-L80 HydrophobicContact CD2-CD2 3.67Å; L70-L80 HydrophobicContact CG-CD2 4.43Å
71P89.6Confident91.6Very high52 Ų5267.7 Ų67.734%0.33835%0.348SS..  trans-54.6147.5166-23.732.9000111.3Y58 D73 F74Y58-P71 HydrophobicContact CE1-CG 4.42Å; P71-D73 VanDerWaalsContact CB-OD1 3.3Å; P71-D73 WeakPolarHBondContact CB-OD1 3.38Å; P71-D73 PolarHBondContact O-N 3.46Å; P71-F74 HydrophobicContact CB-CB 4.42Å; P71-F74 VanDerWaalsContact O-CB 3.26Å; P71-F74 WeakPolarHBondContact O-CB 3.48Å; P71-F74 PolarHBondContact O-N 2.97Å; P71-F74 VanDerWaalsContact O-N 3.08Å
72E75.5Confident91.6Very high199 Ų19972.6 Ų72.693%0.9336%0.362SS*.THydrogen-bonded Turntrans-56.8-33.2177.7-67.6179.6174.500112.1
73D74.2Confident91.6Very high100 Ų10073 Ų7354%0.53536%0.364SS..THydrogen-bonded Turntrans-96.617.1-179.170.1-31.3000113.6P71 Q75P71-D73 VanDerWaalsContact CB-OD1 3.3Å; P71-D73 WeakPolarHBondContact CB-OD1 3.38Å; P71-D73 PolarHBondContact O-N 3.46Å; D73-Q75 VanDerWaalsContact O-CG 3.3Å; D73-Q75 WeakPolarHBondContact O-CG 3.45Å; D73-Q75 PolarHBondContact O-N 3.27Å; D73-Q75 PolarHBondContact O-NE2 2.87Å
74F85.9Confident91.6Very high25 Ų2572.7 Ų72.711%0.1136%0.363CS..  trans-60.8110.6-175.3-172.9-104.6000113.1I55 Y58 L70 P71 E76 M77 L80I55-F74 HydrophobicContact CD1-CE2 4.45Å; I55-F74 HydrophobicContact CD1-CZ 4.14Å; Y58-F74 HydrophobicContact CD2-CE2 4.22Å; Y58-F74 HydrophobicContact CD2-CZ 4.48Å; Y58-F74 HydrophobicContact CE2-CD2 4.33Å; Y58-F74 AromaticContact CE2-CE2 3.54Å; Y58-F74 HydrophobicContact CE2-CE2 3.54Å; Y58-F74 HydrophobicContact CE2-CZ 4.2Å; Y58-F74 AromaticContact CZ-CE2 3.72Å; L70-F74 HydrophobicContact CB-CB 4.18Å; L70-F74 HydrophobicContact CB-CG 4.35Å; L70-F74 HydrophobicContact CD1-CD1 3.97Å; L70-F74 HydrophobicContact CD1-CE1 4.37Å; L70-F74 HydrophobicContact CD2-CD1 4.2Å; L70-F74 HydrophobicContact CD2-CE1 4.23Å; L70-F74 HydrophobicContact CD2-CG 4.34Å; L70-F74 HydrophobicContact CD2-CZ 4.42Å; L70-F74 HydrophobicContact CG-CD1 4.48Å; P71-F74 HydrophobicContact CB-CB 4.42Å; P71-F74 VanDerWaalsContact O-CB 3.26Å; P71-F74 WeakPolarHBondContact O-CB 3.48Å; P71-F74 PolarHBondContact O-N 2.97Å; P71-F74 VanDerWaalsContact O-N 3.08Å; F74-E76 VanDerWaalsContact CE1-C 3.44Å; F74-E76 HydrophobicContact CE1-CB 4.22Å; F74-E76 HydrophobicContact CE2-CB 4.02Å; F74-E76 HydrophobicContact CZ-CB 3.71Å; F74-M77 HydrophobicContact CD1-CG 4.01Å; F74-M77 HydrophobicContact CD1-SD 3.61Å; F74-M77 HydrophobicContact CE1-CG 4.28Å; F74-M77 HydrophobicContact CE1-SD 3.83Å; F74-L80 HydrophobicContact CE1-CB 3.95Å; F74-L80 HydrophobicContact CE1-CD2 3.81Å; F74-L80 HydrophobicContact CZ-CB 4.02Å; F74-L80 HydrophobicContact CZ-CD2 4.18Å
75Q80.1Confident91.6Very high127 Ų12770.7 Ų70.759%0.59336%0.361SS*.  trans-96.9-6.3-176.2-59.6-53.1-69.500114.3D73 M77D73-Q75 VanDerWaalsContact O-CG 3.3Å; D73-Q75 WeakPolarHBondContact O-CG 3.45Å; D73-Q75 PolarHBondContact O-N 3.27Å; D73-Q75 PolarHBondContact O-NE2 2.87Å; Q75-M77 PolarHBondContact O-N 3.22Å
76E91.3Very high91.6Very high82 Ų8270.8 Ų70.838%0.38336%0.356SS..  trans-99.128.6-170-64.4-176112.900113.1I55 F74 G78 L79 L80I55-E76 HydrophobicContact CD1-CB 3.97Å; F74-E76 VanDerWaalsContact CE1-C 3.44Å; F74-E76 HydrophobicContact CE1-CB 4.22Å; F74-E76 HydrophobicContact CE2-CB 4.02Å; F74-E76 HydrophobicContact CZ-CB 3.71Å; E76-G78 VanDerWaalsContact C-N 3.27Å; E76-G78 PolarHBondContact O-N 3.48Å; E76-L79 HydrophobicContact CB-CB 4.32Å; E76-L79 HydrophobicContact CB-CD1 4.18Å; E76-L79 HydrophobicContact CG-CD1 4.15Å; E76-L79 WeakPolarHBondContact O-CB 3.5Å; E76-L79 PolarHBondContact O-N 3.06Å; E76-L79 WeakPolarHBondContact OE1-CD1 3.43Å; E76-L80 PolarHBondContact O-N 3.33Å
77M90.3Very high91.6Very high31 Ų3167.4 Ų67.415%0.15333%0.332CS..Hα-helixtrans-51.8-42.1-177.8-72.8-62.5-70.600113.3L70 F74 Q75 L79 L80 R81 L96 E100 L103L70-M77 HydrophobicContact CD1-SD 3.76Å; F74-M77 HydrophobicContact CD1-CG 4.01Å; F74-M77 HydrophobicContact CD1-SD 3.61Å; F74-M77 HydrophobicContact CE1-CG 4.28Å; F74-M77 HydrophobicContact CE1-SD 3.83Å; Q75-M77 PolarHBondContact O-N 3.22Å; M77-L79 VanDerWaalsContact C-N 3.34Å; M77-L79 PolarHBondContact O-N 3.27Å; M77-L80 PolarHBondContact O-N 3.24Å; M77-R81 PolarHBondContact O-N 2.97Å; M77-L96 HydrophobicContact CE-CD1 3.59Å; M77-L96 HydrophobicContact SD-CD1 4.43Å; M77-E100 HydrophobicContact CE-CG 3.43Å; M77-E100 VanDerWaalsContact CE-CG 3.43Å; M77-L103 HydrophobicContact CE-CD1 4.26Å
78G90.4Very high91.6Very high44 Ų4467.2 Ų67.245%0.45433%0.332SS..Hα-helixtrans-66.2-32.6177.700000113.8E76 R82E76-G78 VanDerWaalsContact C-N 3.27Å; E76-G78 PolarHBondContact O-N 3.48Å; G78-R82 WeakPolarHBondContact O-CG 3.49Å; G78-R82 PolarHBondContact O-N 3.5Å
79L95.4Very high91.7Very high60 Ų6065.7 Ų65.731%0.31432%0.324SS..Hα-helixtrans-74.2-44174.2-67.2174000110.5I55 E76 M77 R81 R82 E83I55-L79 HydrophobicContact CD1-CB 4.21Å; I55-L79 HydrophobicContact CG1-CB 4.18Å; E76-L79 HydrophobicContact CB-CB 4.32Å; E76-L79 HydrophobicContact CB-CD1 4.18Å; E76-L79 HydrophobicContact CG-CD1 4.15Å; E76-L79 WeakPolarHBondContact O-CB 3.5Å; E76-L79 PolarHBondContact O-N 3.06Å; E76-L79 WeakPolarHBondContact OE1-CD1 3.43Å; M77-L79 VanDerWaalsContact C-N 3.34Å; M77-L79 PolarHBondContact O-N 3.27Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 2.93Å; L79-R82 PolarHBondContact O-N 2.94Å; L79-R82 VanDerWaalsContact O-N 3.14Å; L79-E83 PolarHBondContact O-N 3.36Å; L79-E83 VanDerWaalsContact O-N 3.13Å
80L97.3Very high91.9Very high0 Ų066.2 Ų66.20%032%0.323CS..Hα-helixtrans-56-46.9175.8-179.162.4000111.7I55 I59 L68 L70 F74 E76 M77 R82 E83 V84 L96I55-L80 HydrophobicContact CG2-CB 4.33Å; I55-L80 HydrophobicContact CG2-CD1 3.75Å; I59-L80 HydrophobicContact CD1-CD1 4.03Å; L68-L80 HydrophobicContact CD1-CD2 4.37Å; L70-L80 HydrophobicContact CD1-CD2 3.94Å; L70-L80 HydrophobicContact CD2-CD2 3.67Å; L70-L80 HydrophobicContact CG-CD2 4.43Å; F74-L80 HydrophobicContact CE1-CB 3.95Å; F74-L80 HydrophobicContact CE1-CD2 3.81Å; F74-L80 HydrophobicContact CZ-CB 4.02Å; F74-L80 HydrophobicContact CZ-CD2 4.18Å; E76-L80 PolarHBondContact O-N 3.33Å; M77-L80 PolarHBondContact O-N 3.24Å; L80-R82 VanDerWaalsContact C-N 3.33Å; L80-R82 PolarHBondContact O-N 3.36Å; L80-E83 PolarHBondContact O-N 3.38Å; L80-E83 VanDerWaalsContact O-N 3.16Å; L80-V84 HydrophobicContact CD1-CG2 4.01Å; L80-V84 HydrophobicContact CG-CG2 4.17Å; L80-V84 WeakPolarHBondContact O-CB 3.34Å; L80-V84 VanDerWaalsContact O-CG2 3.3Å; L80-V84 WeakPolarHBondContact O-CG2 3.44Å; L80-V84 PolarHBondContact O-N 3.01Å; L80-L96 HydrophobicContact CD2-CD1 3.75Å; L80-L96 HydrophobicContact CG-CD1 4.23Å
81R96.1Very high92Very high85 Ų8566.9 Ų66.932%0.32133%0.33SS..Hα-helixtrans-53.1-48.7174.8169.5165-90.5143-3.7112.4M77 L79 E83 V84 D85 L96 E100M77-R81 PolarHBondContact O-N 2.97Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 2.93Å; R81-E83 VanDerWaalsContact C-N 3.29Å; R81-E83 PolarHBondContact O-N 3.25Å; R81-V84 PolarHBondContact O-N 3.16Å; R81-D85 WeakPolarHBondContact CG-OD2 3.47Å; R81-D85 WeakPolarHBondContact O-CB 3.39Å; R81-D85 PolarHBondContact O-N 3.41Å; R81-L96 HydrophobicContact CB-CD2 3.9Å; R81-E100 VanDerWaalsContact CZ-CD 3.43Å; R81-E100 IonicContact CZ-OE1 2.81Å; R81-E100 IonicContact CZ-OE2 3.16Å; R81-E100 IonicContact NE-OE1 2.78Å; R81-E100 IonicContact NH1-OE1 3.89Å; R81-E100 PolarHBondContact NH1-OE1 3.32Å; R81-E100 IonicContact NH1-OE2 2.75Å; R81-E100 PolarHBondContact NH1-OE2 3.45Å; R81-E100 VanDerWaalsContact NH2-CD 3.3Å; R81-E100 IonicContact NH2-OE1 3.38Å; R81-E100 PolarHBondContact NH2-OE1 3.21Å; R81-E100 IonicContact NH2-OE2 3.94Å; R81-E100 PolarHBondContact NH2-OE2 3.43Å
82R97Very high92.4Very high156 Ų15664.4 Ų64.459%0.58931%0.314SS*.Hα-helixtrans-61.8-36.4-179.7-67.8173.2-167.7152.84.2112.6G78 L79 L80 F86G78-R82 WeakPolarHBondContact O-CG 3.49Å; G78-R82 PolarHBondContact O-N 3.5Å; L79-R82 PolarHBondContact O-N 2.94Å; L79-R82 VanDerWaalsContact O-N 3.14Å; L80-R82 VanDerWaalsContact C-N 3.33Å; L80-R82 PolarHBondContact O-N 3.36Å; R82-F86 WeakPolarHBondContact O-CB 3.17Å; R82-F86 PolarHBondContact O-N 2.99Å
83E97.9Very high93.4Very high13 Ų1356.2 Ų56.26%0.06128%0.276CS..Hα-helixtrans-72.9-43175.5-64.8-46.6126.600111.7R51 D52 I55 I59 L79 L80 R81 D85 F86 Y87R51-E83 WeakPolarHBondContact CB-OE2 3.48Å; R51-E83 IonicContact CZ-OE1 3.36Å; R51-E83 IonicContact CZ-OE2 3.57Å; R51-E83 IonicContact NE-OE1 3.34Å; R51-E83 PolarHBondContact NE-OE1 3.33Å; R51-E83 IonicContact NE-OE2 2.88Å; R51-E83 PolarHBondContact NE-OE2 3.16Å; R51-E83 VanDerWaalsContact NH2-CD 3.34Å; R51-E83 IonicContact NH2-OE1 2.72Å; R51-E83 PolarHBondContact NH2-OE1 3.13Å; R51-E83 IonicContact NH2-OE2 3.39Å; R51-E83 PolarHBondContact NH2-OE2 3.36Å; D52-E83 HydrophobicContact CB-CG 4.43Å; I55-E83 HydrophobicContact CB-CG 3.96Å; I55-E83 HydrophobicContact CG2-CB 3.8Å; I55-E83 HydrophobicContact CG2-CG 3.51Å; I59-E83 HydrophobicContact CD1-CB 4.4Å; L79-E83 PolarHBondContact O-N 3.36Å; L79-E83 VanDerWaalsContact O-N 3.13Å; L80-E83 PolarHBondContact O-N 3.38Å; L80-E83 VanDerWaalsContact O-N 3.16Å; R81-E83 VanDerWaalsContact C-N 3.29Å; R81-E83 PolarHBondContact O-N 3.25Å; E83-D85 VanDerWaalsContact C-N 3.31Å; E83-D85 PolarHBondContact O-N 2.95Å; E83-F86 WeakPolarHBondContact O-CB 3.4Å; E83-F86 PolarHBondContact O-N 2.75Å; E83-F86 VanDerWaalsContact O-N 3.09Å; E83-Y87 HydrophobicContact CB-CD2 4.3Å; E83-Y87 HydrophobicContact CB-CE2 4.13Å; E83-Y87 WeakPolarHBondContact O-CD2 3.29Å; E83-Y87 PolarHBondContact O-N 3.46Å
84V96.9Very high94.5Very high1 Ų155.7 Ų55.71%0.00627%0.27CS..Hα-helixtrans-58.5-43.7176.1168.70000111.1I59 L80 R81 F86 Y87 Q88 L92 I93 L96I59-V84 HydrophobicContact CD1-CG2 3.52Å; L80-V84 HydrophobicContact CD1-CG2 4.01Å; L80-V84 HydrophobicContact CG-CG2 4.17Å; L80-V84 WeakPolarHBondContact O-CB 3.34Å; L80-V84 VanDerWaalsContact O-CG2 3.3Å; L80-V84 WeakPolarHBondContact O-CG2 3.44Å; L80-V84 PolarHBondContact O-N 3.01Å; R81-V84 PolarHBondContact O-N 3.16Å; V84-F86 VanDerWaalsContact C-N 3.32Å; V84-F86 PolarHBondContact O-N 3.43Å; V84-Y87 PolarHBondContact O-N 3.41Å; V84-Q88 PolarHBondContact O-N 3.43Å; V84-L92 HydrophobicContact CB-CG 4.46Å; V84-L92 HydrophobicContact CG1-CB 4.5Å; V84-L92 HydrophobicContact CG1-CD2 4.41Å; V84-L92 HydrophobicContact CG1-CG 3.91Å; V84-L92 HydrophobicContact CG2-CD1 4.26Å; V84-L92 HydrophobicContact CG2-CD2 3.78Å; V84-L92 HydrophobicContact CG2-CG 3.75Å; V84-I93 HydrophobicContact CG1-CB 4.2Å; V84-I93 HydrophobicContact CG1-CG1 3.48Å; V84-I93 VanDerWaalsContact CG1-CG1 3.48Å; V84-L96 HydrophobicContact CB-CD2 4.17Å; V84-L96 HydrophobicContact CG1-CD2 4.29Å; V84-L96 HydrophobicContact CG2-CD2 4.15Å
85D96.1Very high95Very high79 Ų7955.7 Ų55.742%0.42228%0.275SS..Hα-helixtrans-64-36.1175.1-66.5-23.3000112.2R81 E83 Q88R81-D85 WeakPolarHBondContact CG-OD2 3.47Å; R81-D85 WeakPolarHBondContact O-CB 3.39Å; R81-D85 PolarHBondContact O-N 3.41Å; E83-D85 VanDerWaalsContact C-N 3.31Å; E83-D85 PolarHBondContact O-N 2.95Å; D85-Q88 WeakPolarHBondContact O-CG 3.46Å
86F96.6Very high95.7Very high69 Ų6949.7 Ų49.730%0.30325%0.247SC..Hα-helixtrans-69.1-44.3177.4175.6-92.4000112.3M28 I49 R51 R82 E83 V84 Q88M28-F86 HydrophobicContact CE-CE1 3.44Å; M28-F86 VanDerWaalsContact CE-CE1 3.44Å; M28-F86 HydrophobicContact CE-CZ 3.45Å; M28-F86 VanDerWaalsContact CE-CZ 3.45Å; M28-F86 HydrophobicContact SD-CE1 4.02Å; I49-F86 HydrophobicContact CG2-CE1 4.36Å; R51-F86 HydrophobicContact CG-CD1 3.84Å; R51-F86 HydrophobicContact CG-CE1 3.48Å; R51-F86 VanDerWaalsContact CG-CE1 3.48Å; R51-F86 HydrophobicContact CG-CE2 4.38Å; R51-F86 HydrophobicContact CG-CG 4.44Å; R51-F86 HydrophobicContact CG-CZ 3.77Å; R82-F86 WeakPolarHBondContact O-CB 3.17Å; R82-F86 PolarHBondContact O-N 2.99Å; E83-F86 WeakPolarHBondContact O-CB 3.4Å; E83-F86 PolarHBondContact O-N 2.75Å; E83-F86 VanDerWaalsContact O-N 3.09Å; V84-F86 VanDerWaalsContact C-N 3.32Å; V84-F86 PolarHBondContact O-N 3.43Å; F86-Q88 VanDerWaalsContact C-N 3.32Å
87Y96.4Very high95.8Very high0 Ų050.6 Ų50.60%025%0.251CS..Hα-helixtrans-79.2-15.2-178.1-67.1-65.2000113.5M28 L29 I49 R51 F56 I59 E83 V84 I89M28-Y87 WeakPolarHBondContact CB-O 3.23Å; M28-Y87 PolarHBondContact N-O 3.42Å; M28-Y87 HydrophobicContact SD-CD1 4.03Å; M28-Y87 HydrophobicContact SD-CE1 4.42Å; L29-Y87 HydrophobicContact CD1-CD1 3.92Å; L29-Y87 HydrophobicContact CD1-CE1 4.37Å; L29-Y87 HydrophobicContact CD1-CG 4.47Å; L29-Y87 HydrophobicContact CD2-CD1 4.09Å; L29-Y87 HydrophobicContact CD2-CE1 4.11Å; L29-Y87 HydrophobicContact CG-CD1 3.8Å; L29-Y87 HydrophobicContact CG-CE1 4.3Å; I49-Y87 HydrophobicContact CG2-CE1 4.31Å; R51-Y87 WeakPolarHBondContact CB-OH 3.23Å; F56-Y87 HydrophobicContact CD2-CE1 4.17Å; F56-Y87 AromaticContact CD2-CE2 3.73Å; F56-Y87 HydrophobicContact CD2-CE2 3.73Å; F56-Y87 AromaticContact CD2-CZ 3.46Å; F56-Y87 VanDerWaalsContact CD2-CZ 3.46Å; F56-Y87 VanDerWaalsContact CD2-OH 3.23Å; F56-Y87 WeakPolarHBondContact CD2-OH 3.43Å; F56-Y87 AromaticContact CE2-CE1 3.89Å; F56-Y87 HydrophobicContact CE2-CE1 3.89Å; F56-Y87 HydrophobicContact CE2-CE2 4.18Å; F56-Y87 AromaticContact CE2-CZ 3.68Å; I59-Y87 HydrophobicContact CB-CD2 4.42Å; I59-Y87 HydrophobicContact CD1-CD2 4.33Å; I59-Y87 HydrophobicContact CG1-CD2 3.91Å; I59-Y87 HydrophobicContact CG1-CE2 4.11Å; I59-Y87 HydrophobicContact CG2-CD2 3.88Å; I59-Y87 HydrophobicContact CG2-CE2 4.48Å; I59-Y87 HydrophobicContact CG2-CG 4.17Å; E83-Y87 HydrophobicContact CB-CD2 4.3Å; E83-Y87 HydrophobicContact CB-CE2 4.13Å; E83-Y87 WeakPolarHBondContact O-CD2 3.29Å; E83-Y87 PolarHBondContact O-N 3.46Å; V84-Y87 PolarHBondContact O-N 3.41Å; Y87-I89 VanDerWaalsContact C-N 3.29Å; Y87-I89 PolarHBondContact O-N 2.83Å
88Q96.1Very high95.8Very high121 Ų12156 Ų5657%0.56528%0.276SS*.THydrogen-bonded Turntrans54.741.1172.4-59.5-1770.900113.5S27 V84 D85 F86 Q90S27-Q88 WeakPolarHBondContact CA-O 3.32Å; V84-Q88 PolarHBondContact O-N 3.43Å; D85-Q88 WeakPolarHBondContact O-CG 3.46Å; F86-Q88 VanDerWaalsContact C-N 3.32Å; Q88-Q90 PolarHBondContact O-N 3.22Å
89I96.8Very high95.7Very high0 Ų057.1 Ų57.10%027%0.268CS..  trans-88.598.1174.7-59.9158.8000107.2F24 I59 F62 L63 Y87 L92 I93F24-I89 HydrophobicContact CB-CG2 4.37Å; F24-I89 HydrophobicContact CD1-CG2 4.41Å; F24-I89 HydrophobicContact CD2-CG2 3.71Å; F24-I89 HydrophobicContact CE2-CG2 4.06Å; F24-I89 HydrophobicContact CG-CG2 3.89Å; I59-I89 HydrophobicContact CG2-CD1 3.65Å; F62-I89 HydrophobicContact CD1-CG2 4.2Å; F62-I89 HydrophobicContact CE1-CG2 3.92Å; L63-I89 HydrophobicContact CD2-CD1 3.63Å; L63-I89 HydrophobicContact CD2-CG1 4.33Å; L63-I89 HydrophobicContact CG-CD1 4.21Å; Y87-I89 VanDerWaalsContact C-N 3.29Å; Y87-I89 PolarHBondContact O-N 2.83Å; I89-L92 HydrophobicContact CB-CB 3.9Å; I89-L92 HydrophobicContact CB-CD2 4.38Å; I89-L92 HydrophobicContact CD1-CD2 4.11Å; I89-L92 HydrophobicContact CG2-CB 3.74Å; I89-L92 WeakPolarHBondContact O-CA 3.35Å; I89-L92 WeakPolarHBondContact O-CB 3.35Å; I89-L92 PolarHBondContact O-N 3.49Å; I89-I93 PolarHBondContact O-N 2.93Å
90Q96.2Very high95.3Very high107 Ų10756.4 Ų56.450%0.526%0.263SS..Hα-helixtrans-53.4-47.2-171.6-175.762.628.200114Q88 L92 I93 E94Q88-Q90 PolarHBondContact O-N 3.22Å; Q90-L92 PolarHBondContact O-N 3.42Å; Q90-I93 WeakPolarHBondContact O-CB 3.27Å; Q90-I93 PolarHBondContact O-N 3.34Å; Q90-I93 VanDerWaalsContact O-N 3.14Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.43Å; Q90-E94 PolarHBondContact NE2-OE1 2.98Å; Q90-E94 PolarHBondContact O-N 3.31Å; Q90-E94 VanDerWaalsContact O-N 3.1Å
91P96.9Very high94.7Very high54 Ų5460 Ų6035%0.35129%0.285SS..Hα-helixtrans-63.9-26.9177.4-26.138.8000114F24 F62 A95F24-P91 HydrophobicContact CD1-CG 4.06Å; F24-P91 HydrophobicContact CE1-CB 4.29Å; F24-P91 HydrophobicContact CE1-CG 3.72Å; F62-P91 HydrophobicContact CE1-CB 4.31Å; F62-P91 HydrophobicContact CZ-CB 4.01Å; P91-A95 WeakPolarHBondContact O-CB 3.39Å; P91-A95 PolarHBondContact O-N 3.11Å
92L97.7Very high94.1Very high0 Ų061.1 Ų61.10%029%0.294CS..Hα-helixtrans-76.4-36.6176.1176.455000111.6I59 F62 L68 V84 I89 Q90 E94 A95 L96I59-L92 HydrophobicContact CD1-CD2 3.68Å; I59-L92 HydrophobicContact CG2-CD2 4.26Å; F62-L92 HydrophobicContact CB-CD1 4.14Å; F62-L92 HydrophobicContact CB-CD2 4.26Å; F62-L92 HydrophobicContact CD1-CB 3.78Å; F62-L92 HydrophobicContact CD1-CD1 4.3Å; F62-L92 HydrophobicContact CD1-CD2 4.21Å; F62-L92 HydrophobicContact CD1-CG 4.31Å; F62-L92 HydrophobicContact CD2-CB 4.3Å; F62-L92 HydrophobicContact CD2-CD1 3.56Å; F62-L92 HydrophobicContact CD2-CG 4.39Å; F62-L92 HydrophobicContact CE1-CB 3.65Å; F62-L92 HydrophobicContact CE2-CB 4.17Å; F62-L92 HydrophobicContact CE2-CD1 4Å; F62-L92 HydrophobicContact CG-CB 4.12Å; F62-L92 HydrophobicContact CG-CD1 3.73Å; F62-L92 HydrophobicContact CG-CD2 4.17Å; F62-L92 HydrophobicContact CG-CG 4.21Å; F62-L92 HydrophobicContact CZ-CB 3.85Å; L68-L92 HydrophobicContact CB-CD1 4.4Å; L68-L92 HydrophobicContact CD1-CD1 3.87Å; L68-L92 HydrophobicContact CD2-CD1 4.33Å; L68-L92 HydrophobicContact CG-CD1 4.42Å; V84-L92 HydrophobicContact CB-CG 4.46Å; V84-L92 HydrophobicContact CG1-CB 4.5Å; V84-L92 HydrophobicContact CG1-CD2 4.41Å; V84-L92 HydrophobicContact CG1-CG 3.91Å; V84-L92 HydrophobicContact CG2-CD1 4.26Å; V84-L92 HydrophobicContact CG2-CD2 3.78Å; V84-L92 HydrophobicContact CG2-CG 3.75Å; I89-L92 HydrophobicContact CB-CB 3.9Å; I89-L92 HydrophobicContact CB-CD2 4.38Å; I89-L92 HydrophobicContact CD1-CD2 4.11Å; I89-L92 HydrophobicContact CG2-CB 3.74Å; I89-L92 WeakPolarHBondContact O-CA 3.35Å; I89-L92 WeakPolarHBondContact O-CB 3.35Å; I89-L92 PolarHBondContact O-N 3.49Å; Q90-L92 PolarHBondContact O-N 3.42Å; L92-E94 VanDerWaalsContact C-N 3.31Å; L92-A95 PolarHBondContact O-N 3.31Å; L92-L96 WeakPolarHBondContact O-CB 3.42Å; L92-L96 PolarHBondContact O-N 2.99Å
93I96.7Very high93.2Very high27 Ų2757.6 Ų57.614%0.13829%0.286CS..Hα-helixtrans-58.9-47.6172.8-66.2165.5000109.5V84 I89 Q90 L96 Q97V84-I93 HydrophobicContact CG1-CB 4.2Å; V84-I93 HydrophobicContact CG1-CG1 3.48Å; V84-I93 VanDerWaalsContact CG1-CG1 3.48Å; I89-I93 PolarHBondContact O-N 2.93Å; Q90-I93 WeakPolarHBondContact O-CB 3.27Å; Q90-I93 PolarHBondContact O-N 3.34Å; Q90-I93 VanDerWaalsContact O-N 3.14Å; I93-L96 PolarHBondContact O-N 3.46Å; I93-Q97 WeakPolarHBondContact O-CG 3.24Å; I93-Q97 PolarHBondContact O-N 2.93Å
94E96.1Very high92.3Very high88 Ų8859.6 Ų59.641%0.41130%0.302SS..Hα-helixtrans-62.5-50178.5-70.6166.6-166.400111.4Q90 L92 L96 Q97 E98Q90-E94 WeakPolarHBondContact CG-OE1 3.43Å; Q90-E94 PolarHBondContact NE2-OE1 2.98Å; Q90-E94 PolarHBondContact O-N 3.31Å; Q90-E94 VanDerWaalsContact O-N 3.1Å; L92-E94 VanDerWaalsContact C-N 3.31Å; E94-L96 VanDerWaalsContact C-N 3.27Å; E94-L96 PolarHBondContact O-N 3.02Å; E94-Q97 WeakPolarHBondContact O-CB 3.28Å; E94-Q97 PolarHBondContact O-N 3.17Å; E94-Q97 VanDerWaalsContact O-N 3.11Å; E94-E98 WeakPolarHBondContact O-CG 3.27Å; E94-E98 PolarHBondContact O-N 3.01Å
95A95.8Very high91.3Very high25 Ų2565.6 Ų65.621%0.20733%0.328CS..Hα-helixtrans-58.1-38.7177.100000112.7F62 L68 P91 L92 K99F62-A95 HydrophobicContact CE2-CB 4.2Å; L68-A95 HydrophobicContact CB-CB 4.2Å; L68-A95 HydrophobicContact CD2-CB 4.44Å; P91-A95 WeakPolarHBondContact O-CB 3.39Å; P91-A95 PolarHBondContact O-N 3.11Å; L92-A95 PolarHBondContact O-N 3.31Å; A95-K99 WeakPolarHBondContact O-CB 3.37Å; A95-K99 PolarHBondContact O-N 2.86Å
96L95.4Very high90.2Very high2 Ų264 Ų641%0.0133%0.326CS..Hα-helixtrans-66.9-42.9176.5-176.766.8000111.7L68 M77 L80 R81 V84 L92 I93 E94 K99 E100L68-L96 HydrophobicContact CD2-CB 4.08Å; L68-L96 HydrophobicContact CD2-CD1 3.97Å; M77-L96 HydrophobicContact CE-CD1 3.59Å; M77-L96 HydrophobicContact SD-CD1 4.43Å; L80-L96 HydrophobicContact CD2-CD1 3.75Å; L80-L96 HydrophobicContact CG-CD1 4.23Å; R81-L96 HydrophobicContact CB-CD2 3.9Å; V84-L96 HydrophobicContact CB-CD2 4.17Å; V84-L96 HydrophobicContact CG1-CD2 4.29Å; V84-L96 HydrophobicContact CG2-CD2 4.15Å; L92-L96 WeakPolarHBondContact O-CB 3.42Å; L92-L96 PolarHBondContact O-N 2.99Å; I93-L96 PolarHBondContact O-N 3.46Å; E94-L96 VanDerWaalsContact C-N 3.27Å; E94-L96 PolarHBondContact O-N 3.02Å; L96-K99 PolarHBondContact O-N 3.41Å; L96-E100 WeakPolarHBondContact O-CG 3.39Å; L96-E100 PolarHBondContact O-N 3.23Å
97Q92.8Very high89.4Confident100 Ų10062.5 Ų62.547%0.46732%0.32SS..Hα-helixtrans-62.3-44.6176.9-72.7174.42.700111.5I93 E94 K99 E100 V101I93-Q97 WeakPolarHBondContact O-CG 3.24Å; I93-Q97 PolarHBondContact O-N 2.93Å; E94-Q97 WeakPolarHBondContact O-CB 3.28Å; E94-Q97 PolarHBondContact O-N 3.17Å; E94-Q97 VanDerWaalsContact O-N 3.11Å; Q97-K99 VanDerWaalsContact C-N 3.33Å; Q97-K99 PolarHBondContact O-N 2.86Å; Q97-E100 PolarHBondContact O-N 3.26Å; Q97-V101 WeakPolarHBondContact O-CG2 3.39Å; Q97-V101 PolarHBondContact O-N 2.89Å
98E90.9Very high88.7Confident144 Ų14467.1 Ų67.167%0.67334%0.34SS*.Hα-helixtrans-59-45.1175.1-71.9-179177.500111.5E94 E100 V101 E102E94-E98 WeakPolarHBondContact O-CG 3.27Å; E94-E98 PolarHBondContact O-N 3.01Å; E98-E100 VanDerWaalsContact C-N 3.34Å; E98-E100 PolarHBondContact O-N 2.73Å; E98-V101 PolarHBondContact O-N 2.96Å; E98-E102 PolarHBondContact O-N 2.99Å
99K89.5Confident88.3Confident68 Ų6865.5 Ų65.530%0.29634%0.335SS..Hα-helixtrans-61.4-41.3178.1-168.170.2-168.6164.70112.4A95 L96 Q97 E102 L103A95-K99 WeakPolarHBondContact O-CB 3.37Å; A95-K99 PolarHBondContact O-N 2.86Å; L96-K99 PolarHBondContact O-N 3.41Å; Q97-K99 VanDerWaalsContact C-N 3.33Å; Q97-K99 PolarHBondContact O-N 2.86Å; K99-E102 WeakPolarHBondContact CD-OE2 3.25Å; K99-E102 IonicContact NZ-OE1 2.98Å; K99-E102 IonicContact NZ-OE2 3.59Å; K99-E102 PolarHBondContact NZ-OE2 3.19Å; K99-E102 WeakPolarHBondContact O-CB 3.39Å; K99-E102 PolarHBondContact O-N 2.89Å; K99-L103 HydrophobicContact CG-CD1 4.34Å; K99-L103 VanDerWaalsContact O-CG 3.29Å; K99-L103 WeakPolarHBondContact O-CG 3.44Å; K99-L103 PolarHBondContact O-N 2.99Å
100E86.6Confident88Confident45 Ų4565.7 Ų65.721%0.2134%0.337CS..Hα-helixtrans-68.1-36.6176.7-73.9-177.616900113.2M77 R81 L96 Q97 E98 E102 L103 S104M77-E100 HydrophobicContact CE-CG 3.43Å; M77-E100 VanDerWaalsContact CE-CG 3.43Å; R81-E100 VanDerWaalsContact CZ-CD 3.43Å; R81-E100 IonicContact CZ-OE1 2.81Å; R81-E100 IonicContact CZ-OE2 3.16Å; R81-E100 IonicContact NE-OE1 2.78Å; R81-E100 IonicContact NH1-OE1 3.89Å; R81-E100 PolarHBondContact NH1-OE1 3.32Å; R81-E100 IonicContact NH1-OE2 2.75Å; R81-E100 PolarHBondContact NH1-OE2 3.45Å; R81-E100 VanDerWaalsContact NH2-CD 3.3Å; R81-E100 IonicContact NH2-OE1 3.38Å; R81-E100 PolarHBondContact NH2-OE1 3.21Å; R81-E100 IonicContact NH2-OE2 3.94Å; R81-E100 PolarHBondContact NH2-OE2 3.43Å; L96-E100 WeakPolarHBondContact O-CG 3.39Å; L96-E100 PolarHBondContact O-N 3.23Å; Q97-E100 PolarHBondContact O-N 3.26Å; E98-E100 VanDerWaalsContact C-N 3.34Å; E98-E100 PolarHBondContact O-N 2.73Å; E100-E102 VanDerWaalsContact C-N 3.33Å; E100-L103 PolarHBondContact O-N 2.96Å; E100-S104 VanDerWaalsContact O-CB 3.23Å; E100-S104 WeakPolarHBondContact O-CB 3.49Å; E100-S104 PolarHBondContact O-N 2.63Å
101V84.9Confident87.8Confident75 Ų7564 Ų6446%0.45533%0.33SS..Hα-helixtrans-64.9-41.1173.3170.60000110.3Q97 E98 S104 K105Q97-V101 WeakPolarHBondContact O-CG2 3.39Å; Q97-V101 PolarHBondContact O-N 2.89Å; E98-V101 PolarHBondContact O-N 2.96Å; V101-S104 PolarHBondContact O-N 3.24Å; V101-K105 HydrophobicContact CG1-CD 4.11Å; V101-K105 HydrophobicContact CG1-CG 4.44Å; V101-K105 WeakPolarHBondContact O-CB 3.36Å; V101-K105 VanDerWaalsContact O-CG 3.28Å; V101-K105 WeakPolarHBondContact O-CG 3.42Å; V101-K105 PolarHBondContact O-N 2.83Å
102E82.4Confident87.6Confident109 Ų10961.4 Ų61.451%0.50931%0.313SS..Hα-helixtrans-59.6-51.8174.6-170.2-166.2178.700111.2E98 K99 E100 S104 K105 A106E98-E102 PolarHBondContact O-N 2.99Å; K99-E102 WeakPolarHBondContact CD-OE2 3.25Å; K99-E102 IonicContact NZ-OE1 2.98Å; K99-E102 IonicContact NZ-OE2 3.59Å; K99-E102 PolarHBondContact NZ-OE2 3.19Å; K99-E102 WeakPolarHBondContact O-CB 3.39Å; K99-E102 PolarHBondContact O-N 2.89Å; E100-E102 VanDerWaalsContact C-N 3.33Å; E102-S104 VanDerWaalsContact C-N 3.32Å; E102-S104 PolarHBondContact O-N 3.14Å; E102-K105 PolarHBondContact O-N 3.02Å; E102-A106 PolarHBondContact O-N 3.08Å
103L78.8Confident87.4Confident82 Ų8263 Ų6343%0.42932%0.322SS..Hα-helixtrans-60.8-41.7177.3-69.4170.3000111.5M77 K99 E100 K105 A106 E107M77-L103 HydrophobicContact CE-CD1 4.26Å; K99-L103 HydrophobicContact CG-CD1 4.34Å; K99-L103 VanDerWaalsContact O-CG 3.29Å; K99-L103 WeakPolarHBondContact O-CG 3.44Å; K99-L103 PolarHBondContact O-N 2.99Å; E100-L103 PolarHBondContact O-N 2.96Å; L103-K105 PolarHBondContact O-N 2.94Å; L103-A106 PolarHBondContact O-N 3.01Å; L103-E107 WeakPolarHBondContact O-CB 3.39Å; L103-E107 WeakPolarHBondContact O-CG 3.3Å; L103-E107 PolarHBondContact O-N 3.34Å
104S78.6Confident87.2Confident56 Ų5661.8 Ų61.839%0.39232%0.315SS..Hα-helixtrans-64.4-39.9176.1-177.80000112.1E100 V101 E102 E107 K108E100-S104 VanDerWaalsContact O-CB 3.23Å; E100-S104 WeakPolarHBondContact O-CB 3.49Å; E100-S104 PolarHBondContact O-N 2.63Å; V101-S104 PolarHBondContact O-N 3.24Å; E102-S104 VanDerWaalsContact C-N 3.32Å; E102-S104 PolarHBondContact O-N 3.14Å; S104-E107 PolarHBondContact O-N 2.95Å; S104-K108 WeakPolarHBondContact O-CB 3.26Å; S104-K108 VanDerWaalsContact O-CG 3.27Å; S104-K108 WeakPolarHBondContact O-CG 3.4Å; S104-K108 PolarHBondContact O-N 3.46Å
105K76.3Confident87Confident127 Ų12760.3 Ų60.355%0.55231%0.312SS*.Hα-helixtrans-66.4-41.8175.3-77.4173.7-179.2175.40111.7V101 E102 L103 E107 K108 N109V101-K105 HydrophobicContact CG1-CD 4.11Å; V101-K105 HydrophobicContact CG1-CG 4.44Å; V101-K105 WeakPolarHBondContact O-CB 3.36Å; V101-K105 VanDerWaalsContact O-CG 3.28Å; V101-K105 WeakPolarHBondContact O-CG 3.42Å; V101-K105 PolarHBondContact O-N 2.83Å; E102-K105 PolarHBondContact O-N 3.02Å; L103-K105 PolarHBondContact O-N 2.94Å; K105-E107 VanDerWaalsContact C-N 3.29Å; K105-E107 PolarHBondContact O-N 3.1Å; K105-K108 PolarHBondContact O-N 2.96Å; K105-N109 WeakPolarHBondContact O-CB 3.46Å; K105-N109 PolarHBondContact O-N 3.15Å
106A73.2Confident86.9Confident46 Ų4659.2 Ų59.238%0.3830%0.303SS..Hα-helixtrans-63.9-36.5175.700000111.8E102 L103 N109E102-A106 PolarHBondContact O-N 3.08Å; L103-A106 PolarHBondContact O-N 3.01Å; A106-N109 CarbonylContact O-C 3.58Å
107E79.1Confident86.7Confident36 Ų3663.2 Ų63.217%0.16832%0.324CS..Hα-helixtrans-70.7-38.5173-73.4-65.2155.500111.5L103 S104 K105 S152 C153 L154 R258L103-E107 WeakPolarHBondContact O-CB 3.39Å; L103-E107 WeakPolarHBondContact O-CG 3.3Å; L103-E107 PolarHBondContact O-N 3.34Å; S104-E107 PolarHBondContact O-N 2.95Å; K105-E107 VanDerWaalsContact C-N 3.29Å; K105-E107 PolarHBondContact O-N 3.1Å; E107-S152 VanDerWaalsContact OE2-CB 3.32Å; E107-S152 WeakPolarHBondContact OE2-CB 3.39Å; E107-S152 PolarHBondContact OE2-OG 3.05Å; E107-C153 PolarHBondContact OE1-N 2.97Å; E107-C153 PolarHBondContact OE1-SG 2.84Å; E107-C153 VanDerWaalsContact OE1-SG 3.38Å; E107-L154 HydrophobicContact CG-CD1 4Å; E107-L154 HydrophobicContact CG-CG 4.46Å; E107-R258 PolarHBondContact O-NE 3.44Å; E107-R258 PolarHBondContact O-NH2 2.79Å; E107-R258 IonicContact OE2-NH2 3.45Å
108K81.9Confident86.7Confident98 Ų9863 Ų6343%0.42632%0.323SS..Hα-helixtrans-67.2-42.2175.4-77.6175.9-175.6-174.90113.2S104 K105 R258 K260S104-K108 WeakPolarHBondContact O-CB 3.26Å; S104-K108 VanDerWaalsContact O-CG 3.27Å; S104-K108 WeakPolarHBondContact O-CG 3.4Å; S104-K108 PolarHBondContact O-N 3.46Å; K105-K108 PolarHBondContact O-N 2.96Å; K108-R258 CarbonylContact O-C 3.55Å; K108-R258 WeakPolarHBondContact O-CG 3.24Å; K108-R258 VanDerWaalsContact O-O 3.13Å; K108-K260 HydrophobicContact CB-CB 4.16Å; K108-K260 WeakPolarHBondContact CB-O 3.45Å; K108-K260 HydrophobicContact CG-CB 4.23Å; K108-K260 PolarHBondContact O-N 3.31Å
109N87.9Confident86.8Confident86 Ų8662.4 Ų62.446%0.4632%0.319SS..SBendtrans-102.488.3178.3-67.9-33.9000109.5K105 A106 R258K105-N109 WeakPolarHBondContact O-CB 3.46Å; K105-N109 PolarHBondContact O-N 3.15Å; A106-N109 CarbonylContact O-C 3.58Å; N109-R258 CarbonylContact C-O 3.59Å; N109-R258 VanDerWaalsContact CA-O 3.23Å; N109-R258 WeakPolarHBondContact CA-O 3.38Å
110A91Very high87Confident5 Ų563.5 Ų63.54%0.04133%0.331CS..EExtended strand (participates in β ladder)trans-117.8147.5-173.700000112.3T151 F236 I257 R258A110-T151 VanDerWaalsContact CA-OG1 3.27Å; A110-T151 WeakPolarHBondContact CA-OG1 3.43Å; A110-F236 HydrophobicContact CB-CE1 3.77Å; A110-F236 HydrophobicContact CB-CZ 3.57Å; A110-I257 CarbonylContact O-C 3.56Å; A110-I257 WeakPolarHBondContact O-CA 3.49Å; A110-R258 HydrophobicContact CB-CB 4.28Å; A110-R258 PolarHBondContact N-O 3.42Å; A110-R258 PolarHBondContact O-N 2.81Å
111M92.1Very high87.4Confident70 Ų7065.2 Ų65.235%0.34534%0.339SS..EExtended strand (participates in β ladder)trans-114.8145.7169.6-178.6178.360.100109N113 F149 S150 T151 L256M111-N113 VanDerWaalsContact CE-ND2 3.29Å; M111-N113 WeakPolarHBondContact CE-ND2 3.35Å; M111-N113 PolarHBondContact SD-ND2 3.48Å; M111-N113 VanDerWaalsContact SD-ND2 3.41Å; M111-F149 HydrophobicContact CE-CD1 4.34Å; M111-F149 HydrophobicContact CE-CE1 3.84Å; M111-S150 VanDerWaalsContact O-CA 3.23Å; M111-S150 WeakPolarHBondContact O-CA 3.49Å; M111-S150 PolarHBondContact O-OG 2.91Å; M111-T151 HydrophobicContact CB-CG2 4.35Å; M111-T151 PolarHBondContact N-OG1 3.48Å; M111-T151 PolarHBondContact O-N 2.81Å; M111-L256 CarbonylContact C-O 3.58Å; M111-L256 WeakPolarHBondContact CA-O 3.44Å
112L92.9Very high87.8Confident0 Ų064.9 Ų64.90%034%0.337CS..EExtended strand (participates in β ladder)trans-129.4121.8172.6174.567.6000108.3I114 I148 F149 F155 A231 F236 R255 L256L112-I114 HydrophobicContact CD1-CG1 4.25Å; L112-I114 HydrophobicContact CD2-CD1 4.12Å; L112-I114 HydrophobicContact CD2-CG1 4.48Å; L112-I114 HydrophobicContact CG-CD1 4.32Å; L112-I114 HydrophobicContact CG-CG1 4.13Å; L112-I148 HydrophobicContact CD1-CG2 3.53Å; L112-F149 CarbonylContact C-O 3.48Å; L112-F149 WeakPolarHBondContact CA-O 3.14Å; L112-F155 HydrophobicContact CD1-CD1 4.02Å; L112-F155 HydrophobicContact CD1-CE1 3.6Å; L112-F155 HydrophobicContact CD2-CD1 4.3Å; L112-F155 HydrophobicContact CD2-CE1 3.43Å; L112-F155 VanDerWaalsContact CD2-CE1 3.43Å; L112-F155 HydrophobicContact CD2-CZ 3.76Å; L112-F155 HydrophobicContact CG-CE1 4.12Å; L112-A231 HydrophobicContact CD2-CB 4.22Å; L112-F236 HydrophobicContact CB-CD1 4.09Å; L112-F236 HydrophobicContact CB-CE1 3.79Å; L112-F236 HydrophobicContact CB-CZ 4.41Å; L112-R255 CarbonylContact O-C 3.34Å; L112-R255 WeakPolarHBondContact O-CA 3.44Å; L112-L256 HydrophobicContact CB-CB 4.2Å; L112-L256 HydrophobicContact CD2-CB 4.45Å; L112-L256 HydrophobicContact CD2-CD1 3.73Å; L112-L256 HydrophobicContact CD2-CG 4.24Å; L112-L256 PolarHBondContact N-O 3.48Å; L112-L256 PolarHBondContact O-N 2.79Å
113N92.7Very high88.2Confident34 Ų3459.8 Ų59.818%0.18231%0.313CS..EExtended strand (participates in β ladder)trans-116.8132.1173-69.5-48000108.9M111 I148 F149 I254 R255M111-N113 VanDerWaalsContact CE-ND2 3.29Å; M111-N113 WeakPolarHBondContact CE-ND2 3.35Å; M111-N113 PolarHBondContact SD-ND2 3.48Å; M111-N113 VanDerWaalsContact SD-ND2 3.41Å; N113-I148 WeakPolarHBondContact O-CA 3.38Å; N113-F149 HydrophobicContact CB-CB 4.46Å; N113-F149 PolarHBondContact N-O 3.17Å; N113-F149 PolarHBondContact O-N 3.06Å; N113-I254 CarbonylContact C-O 3.6Å; N113-I254 WeakPolarHBondContact CA-O 3.42Å; N113-R255 WeakPolarHBondContact OD1-CD 3.45Å; N113-R255 VanDerWaalsContact OD1-CG 3.25Å; N113-R255 WeakPolarHBondContact OD1-CG 3.41Å
114I92.9Very high88.8Confident2 Ų260.7 Ų60.71%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-127.5122.7177.3-52.2170.1000107.4L112 L116 H147 I148 F223 V227 I253 I254L112-I114 HydrophobicContact CD1-CG1 4.25Å; L112-I114 HydrophobicContact CD2-CD1 4.12Å; L112-I114 HydrophobicContact CD2-CG1 4.48Å; L112-I114 HydrophobicContact CG-CD1 4.32Å; L112-I114 HydrophobicContact CG-CG1 4.13Å; I114-L116 HydrophobicContact CG2-CD2 3.87Å; I114-L116 HydrophobicContact CG2-CG 4.05Å; I114-H147 WeakPolarHBondContact CA-O 3.42Å; I114-I148 HydrophobicContact CG1-CG1 4.36Å; I114-I148 HydrophobicContact CG1-CG2 4.2Å; I114-I148 HydrophobicContact CG2-CG1 4.16Å; I114-F223 HydrophobicContact CG2-CE1 4.12Å; I114-V227 HydrophobicContact CD1-CB 4.49Å; I114-V227 HydrophobicContact CD1-CG1 3.55Å; I114-I253 CarbonylContact O-C 3.57Å; I114-I253 VanDerWaalsContact O-CA 3.29Å; I114-I253 WeakPolarHBondContact O-CA 3.43Å; I114-I254 HydrophobicContact CB-CB 4.18Å; I114-I254 HydrophobicContact CD1-CB 4.4Å; I114-I254 HydrophobicContact CD1-CG2 4.45Å; I114-I254 PolarHBondContact N-O 2.84Å; I114-I254 PolarHBondContact O-N 3Å
115T92.3Very high89.4Confident57 Ų5758.3 Ų58.335%0.3530%0.298SS..EExtended strand (participates in β ladder)trans-107.1133170.1-55.60000108.7A146 H147 K252T115-A146 WeakPolarHBondContact O-CA 3.36Å; T115-H147 PolarHBondContact N-O 3.18Å; T115-H147 PolarHBondContact O-N 2.52Å; T115-K252 WeakPolarHBondContact CA-O 3.46Å
116L92.4Very high90.1Very high2 Ų255 Ų551%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-119.8126.7-175.6-65.7178.5000110.7I114 S145 A146 F220 F223 V224 N251 K252 I254I114-L116 HydrophobicContact CG2-CD2 3.87Å; I114-L116 HydrophobicContact CG2-CG 4.05Å; L116-S145 WeakPolarHBondContact CA-O 3.23Å; L116-A146 HydrophobicContact CD2-CB 3.45Å; L116-A146 VanDerWaalsContact CD2-CB 3.45Å; L116-F220 HydrophobicContact CB-CD1 4.31Å; L116-F220 HydrophobicContact CB-CD2 4.38Å; L116-F220 HydrophobicContact CB-CE1 3.87Å; L116-F220 HydrophobicContact CB-CE2 3.93Å; L116-F220 HydrophobicContact CB-CZ 3.67Å; L116-F220 HydrophobicContact CD1-CB 4.42Å; L116-F220 HydrophobicContact CD1-CD1 4.12Å; L116-F220 HydrophobicContact CD1-CE1 4.48Å; L116-F220 HydrophobicContact CD1-CG 4.18Å; L116-F220 HydrophobicContact CD2-CD1 4.18Å; L116-F220 HydrophobicContact CD2-CE1 3.97Å; L116-F220 HydrophobicContact CG-CD1 4.44Å; L116-F220 HydrophobicContact CG-CE1 4.32Å; L116-F223 HydrophobicContact CD1-CD1 4.31Å; L116-F223 HydrophobicContact CD2-CD1 3.84Å; L116-F223 HydrophobicContact CD2-CE1 3.71Å; L116-V224 HydrophobicContact CD1-CG2 3.64Å; L116-N251 VanDerWaalsContact CB-O 3.26Å; L116-N251 WeakPolarHBondContact CB-O 3.26Å; L116-N251 HydrophobicContact CD1-CB 4.47Å; L116-N251 WeakPolarHBondContact CD1-O 3.32Å; L116-K252 PolarHBondContact N-O 2.88Å; L116-I254 HydrophobicContact CD1-CD1 4.27Å
117D92.1Very high90.7Very high85 Ų8555 Ų5546%0.45528%0.283SS..EExtended strand (participates in β ladder)trans-123.2123.3-179.4-72.3-59.6000111.3F144 S145 H147 F220D117-F144 CarbonylContact O-C 3.6Å; D117-F144 WeakPolarHBondContact O-CA 3.43Å; D117-S145 PolarHBondContact N-O 3.09Å; D117-S145 PolarHBondContact O-N 3.32Å; D117-H147 IonicContact OD2-CD2 3.46Å; D117-H147 IonicContact OD2-NE2 2.6Å; D117-F220 VanDerWaalsContact C-CZ 3.46Å; D117-F220 WeakPolarHBondContact O-CZ 3.39Å
118Q92.3Very high91Very high96 Ų9660.7 Ų60.745%0.44930%0.304SS..EExtended strand (participates in β ladder)trans-119135.8179.7174.7178.9-20.500110.1E142 V143 F144 F220Q118-E142 PolarHBondContact NE2-OE1 3.02Å; Q118-V143 WeakPolarHBondContact CA-O 3.44Å; Q118-F144 HydrophobicContact CB-CD1 4.2Å; Q118-F144 HydrophobicContact CG-CD1 4.04Å; Q118-F144 HydrophobicContact CG-CE1 3.95Å; Q118-F220 HydrophobicContact CB-CD2 4.34Å; Q118-F220 HydrophobicContact CB-CE2 3.41Å; Q118-F220 VanDerWaalsContact CB-CE2 3.41Å; Q118-F220 HydrophobicContact CB-CZ 3.66Å; Q118-F220 HydrophobicContact CG-CE2 4.48Å
119K93.3Very high91.1Very high132 Ų13262.4 Ų62.457%0.57431%0.313SS*.EExtended strand (participates in β ladder)trans-136.3156.617166.2-176.3-179.4-175.60110.6V143K119-V143 HydrophobicContact CG-CB 3.88Å; K119-V143 PolarHBondContact N-O 2.62Å; K119-V143 PolarHBondContact O-N 3.3Å
120T94.3Very high91.1Very high91 Ų9160 Ų6056%0.55831%0.305SS*.EExtended strand (participates in β ladder)trans-98.3132.4170.8-520000109.1N140 M141T120-N140 HydrophobicContact CG2-CB 3.76Å; T120-M141 WeakPolarHBondContact CA-O 3.39Å
121Q93.3Very high91Very high81 Ų8164.5 Ų64.538%0.37933%0.334SS..EExtended strand (participates in β ladder)trans-123.9135.9174.8176.6176.3-14.100108.9M141 V143Q121-M141 PolarHBondContact N-O 3.37Å; Q121-M141 PolarHBondContact O-N 2.86Å; Q121-V143 HydrophobicContact CB-CG2 3.82Å
122T93.5Very high90.7Very high68 Ų6869.9 Ų69.942%0.41736%0.358SS..EExtended strand (participates in β ladder)trans-79.6127.6170.5-55.40000109.4S139 N140T122-S139 CarbonylContact C-O 3.58Å; T122-S139 WeakPolarHBondContact CA-O 3.42Å; T122-N140 PolarHBondContact OG1-OD1 3.03Å
123V92Very high90.5Very high1 Ų174.3 Ų74.31%0.00638%0.381CS..EExtended strand (participates in β ladder)trans-106.2133.517463.40000109.1F125 S138 S139 M141 L195 L205V123-F125 HydrophobicContact CG1-CD1 4.32Å; V123-F125 HydrophobicContact CG1-CE1 4.42Å; V123-S138 VanDerWaalsContact O-CA 3.3Å; V123-S138 WeakPolarHBondContact O-CA 3.37Å; V123-S139 WeakPolarHBondContact CG1-O 3.32Å; V123-S139 PolarHBondContact N-O 3.43Å; V123-S139 PolarHBondContact O-N 3.43Å; V123-M141 HydrophobicContact CB-CE 4.34Å; V123-M141 HydrophobicContact CG1-CB 4.26Å; V123-L195 HydrophobicContact CG1-CD2 4.3Å; V123-L195 HydrophobicContact CG2-CD1 4.3Å; V123-L195 HydrophobicContact CG2-CD2 4.26Å; V123-L205 HydrophobicContact CG2-CD1 4.3Å
124H91.9Very high90.2Very high102 Ų10279.3 Ų79.347%0.47240%0.398SS..EExtended strand (participates in β ladder)trans-108.1132.3176.5-58.8-66.4000109.1S137 S138 Q203H124-S137 WeakPolarHBondContact CA-O 3.28Å; H124-S138 PolarHBondContact CE1-OG 3.12Å; H124-S138 PolarHBondContact ND1-OG 3.31Å; H124-Q203 PolarHBondContact O-NE2 3.41Å
125F91Very high90Very high6 Ų680.6 Ų80.63%0.02641%0.407CS..EExtended strand (participates in β ladder)trans-151.9162.8-176.860.2-80.6000111.4V123 V127 S137 S139 G194 L195 E199V123-F125 HydrophobicContact CG1-CD1 4.32Å; V123-F125 HydrophobicContact CG1-CE1 4.42Å; F125-V127 HydrophobicContact CD2-CG2 3.69Å; F125-V127 HydrophobicContact CE2-CG2 3.37Å; F125-V127 HydrophobicContact CZ-CG2 4.45Å; F125-S137 PolarHBondContact N-O 3.35Å; F125-S137 PolarHBondContact O-N 3.44Å; F125-S137 VanDerWaalsContact O-O 3.14Å; F125-S139 WeakPolarHBondContact CE1-OG 3.49Å; F125-G194 WeakPolarHBondContact CE2-O 3.45Å; F125-L195 HydrophobicContact CB-CD1 3.52Å; F125-L195 HydrophobicContact CD1-CD1 3.47Å; F125-L195 VanDerWaalsContact CD1-CD1 3.47Å; F125-L195 HydrophobicContact CD2-CD1 3.84Å; F125-L195 HydrophobicContact CE1-CD1 4.05Å; F125-L195 HydrophobicContact CE2-CD1 4.35Å; F125-L195 HydrophobicContact CG-CD1 3.34Å; F125-L195 HydrophobicContact CZ-CD1 4.45Å; F125-E199 HydrophobicContact CB-CB 4.49Å; F125-E199 HydrophobicContact CB-CG 3.83Å
126T89.2Confident90Very high58 Ų5884.2 Ų84.236%0.35642%0.424SS..EExtended strand (participates in β ladder)trans-104.2127.7179.7-46.50000109.5Y134 S135T126-Y134 HydrophobicContact CG2-CD1 3.68Å; T126-Y134 HydrophobicContact CG2-CG 4.01Å; T126-S135 WeakPolarHBondContact CA-O 3.35Å
127V86.1Confident89.9Confident44 Ų4485.8 Ų85.827%0.26744%0.435SS..EExtended strand (participates in β ladder)trans-101.3131.9174.5-178.40000108.4F125 Y134 S135 S137F125-V127 HydrophobicContact CD2-CG2 3.69Å; F125-V127 HydrophobicContact CE2-CG2 3.37Å; F125-V127 HydrophobicContact CZ-CG2 4.45Å; V127-Y134 CarbonylContact O-C 3.56Å; V127-Y134 WeakPolarHBondContact O-CA 3.45Å; V127-S135 PolarHBondContact N-O 3.38Å; V127-S135 PolarHBondContact O-N 3.05Å; V127-S137 WeakPolarHBondContact CG2-OG 3.41Å
128R85.6Confident90Very high157 Ų15785 Ų8559%0.59244%0.436SS*.EExtended strand (participates in β ladder)trans-88.3113.2175.4-174.9179.8175.9-176.5-2.6109.3A130 Y134R128-A130 WeakPolarHBondContact CG-O 3.45Å; R128-A130 PolarHBondContact NE-O 3.37Å; R128-Y134 HydrophobicContact CB-CD1 3.99Å; R128-Y134 HydrophobicContact CB-CE1 3.75Å; R128-Y134 HydrophobicContact CG-CD1 4.29Å; R128-Y134 HydrophobicContact CG-CE1 3.83Å
129E84.9Confident89.9Confident134 Ų13482 Ų8263%0.62643%0.426SS*.EExtended strand (participates in β ladder)trans-93.2-32.4-179.7-64.7-174.9-174.900112.3I133 S135E129-I133 HydrophobicContact CB-CG2 4.31Å; E129-I133 PolarHBondContact N-O 2.76Å; E129-S135 VanDerWaalsContact OE1-CB 3.24Å; E129-S135 WeakPolarHBondContact OE1-CB 3.19Å; E129-S135 PolarHBondContact OE1-OG 3.39Å
130A87.7Confident89.9Confident34 Ų3481.4 Ų81.428%0.28143%0.429SS..EExtended strand (participates in β ladder)trans-152.2174.9176.500000110.8R128 Q132 I133R128-A130 WeakPolarHBondContact CG-O 3.45Å; R128-A130 PolarHBondContact NE-O 3.37Å; A130-Q132 PolarHBondContact O-N 3.38Å; A130-Q132 VanDerWaalsContact O-N 3.12Å; A130-I133 HydrophobicContact CB-CB 3.9Å; A130-I133 HydrophobicContact CB-CD1 3.83Å; A130-I133 HydrophobicContact CB-CG1 3.98Å; A130-I133 PolarHBondContact N-O 3.17Å; A130-I133 PolarHBondContact O-N 3.19Å; A130-I133 VanDerWaalsContact O-N 3.12Å
131P89.6Confident89.9Confident100 Ų10077.1 Ų77.165%0.64940%0.402SS*.THydrogen-bonded Turntrans-53.8121.1167.2-22.634.3000110.2I133P131-I133 PolarHBondContact O-N 3.34Å
132Q85.1Confident90Very high183 Ų18376.9 Ų76.986%0.85540%0.401SS*.THydrogen-bonded Turntrans66.45.8-178.1-50.8176-2.800116.2A130A130-Q132 PolarHBondContact O-N 3.38Å; A130-Q132 VanDerWaalsContact O-N 3.12Å
133I88.4Confident90.1Very high94 Ų9474.7 Ų74.748%0.48239%0.387SS..EExtended strand (participates in β ladder)trans-110.2120.7175.9-54.5-177.5000109.2E129 A130 P131E129-I133 HydrophobicContact CB-CG2 4.31Å; E129-I133 PolarHBondContact N-O 2.76Å; A130-I133 HydrophobicContact CB-CB 3.9Å; A130-I133 HydrophobicContact CB-CD1 3.83Å; A130-I133 HydrophobicContact CB-CG1 3.98Å; A130-I133 PolarHBondContact N-O 3.17Å; A130-I133 PolarHBondContact O-N 3.19Å; A130-I133 VanDerWaalsContact O-N 3.12Å; P131-I133 PolarHBondContact O-N 3.34Å
134Y87Confident90.2Very high139 Ų13974.7 Ų74.755%0.54539%0.387SS..EExtended strand (participates in β ladder)trans-132.2132.2-175-70.6-86.4000109.5T126 V127 R128T126-Y134 HydrophobicContact CG2-CD1 3.68Å; T126-Y134 HydrophobicContact CG2-CG 4.01Å; V127-Y134 CarbonylContact O-C 3.56Å; V127-Y134 WeakPolarHBondContact O-CA 3.45Å; R128-Y134 HydrophobicContact CB-CD1 3.99Å; R128-Y134 HydrophobicContact CB-CE1 3.75Å; R128-Y134 HydrophobicContact CG-CD1 4.29Å; R128-Y134 HydrophobicContact CG-CE1 3.83Å
135S89.2Confident90.3Very high28 Ų2870.5 Ų70.520%0.19637%0.37CS..EExtended strand (participates in β ladder)trans-112.9138.4174.9570000110.5T126 V127 E129 S137T126-S135 WeakPolarHBondContact CA-O 3.35Å; V127-S135 PolarHBondContact N-O 3.38Å; V127-S135 PolarHBondContact O-N 3.05Å; E129-S135 VanDerWaalsContact OE1-CB 3.24Å; E129-S135 WeakPolarHBondContact OE1-CB 3.19Å; E129-S135 PolarHBondContact OE1-OG 3.39Å; S135-S137 PolarHBondContact O-N 2.8Å
136L91.3Very high90.5Very high134 Ų13470.2 Ų70.270%0.70237%0.369SS*.EExtended strand (participates in β ladder)trans-78.8120.5172.5-177.867.2000108.5
137S90.7Very high90.7Very high34 Ų3471.2 Ų71.224%0.23837%0.369CS..EExtended strand (participates in β ladder)trans-113.8153.4177.6-68.60000110.6H124 F125 V127 S135H124-S137 WeakPolarHBondContact CA-O 3.28Å; F125-S137 PolarHBondContact N-O 3.35Å; F125-S137 PolarHBondContact O-N 3.44Å; F125-S137 VanDerWaalsContact O-O 3.14Å; V127-S137 WeakPolarHBondContact CG2-OG 3.41Å; S135-S137 PolarHBondContact O-N 2.8Å
138S92.9Very high91.1Very high69 Ų6969.2 Ų69.248%0.48336%0.357SS..EExtended strand (participates in β ladder)trans-137.2134.9176-54.30000109.3V123 H124V123-S138 VanDerWaalsContact O-CA 3.3Å; V123-S138 WeakPolarHBondContact O-CA 3.37Å; H124-S138 PolarHBondContact CE1-OG 3.12Å; H124-S138 PolarHBondContact ND1-OG 3.31Å
139S92.1Very high91.5Very high34 Ų3464.5 Ų64.524%0.23834%0.341CS..EExtended strand (participates in β ladder)trans-136.8153.4179.1-60.60000110.2T122 V123 F125T122-S139 CarbonylContact C-O 3.58Å; T122-S139 WeakPolarHBondContact CA-O 3.42Å; V123-S139 WeakPolarHBondContact CG1-O 3.32Å; V123-S139 PolarHBondContact N-O 3.43Å; V123-S139 PolarHBondContact O-N 3.43Å; F125-S139 WeakPolarHBondContact CE1-OG 3.49Å
140N93.3Very high91.9Very high118 Ų11858.1 Ų58.163%0.63131%0.311SS*.EExtended strand (participates in β ladder)trans-83.2133.8169.4-70.5-29.8000109T120 T122T120-N140 HydrophobicContact CG2-CB 3.76Å; T122-N140 PolarHBondContact OG1-OD1 3.03Å
141M93.8Very high92Very high2 Ų258.9 Ų58.91%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-124.5135.5179.8-178170.662.600109T120 Q121 V123 V143 V189 V192 L205T120-M141 WeakPolarHBondContact CA-O 3.39Å; Q121-M141 PolarHBondContact N-O 3.37Å; Q121-M141 PolarHBondContact O-N 2.86Å; V123-M141 HydrophobicContact CB-CE 4.34Å; V123-M141 HydrophobicContact CG1-CB 4.26Å; M141-V143 HydrophobicContact CE-CG2 4.38Å; M141-V189 HydrophobicContact CE-CB 4.26Å; M141-V189 HydrophobicContact CE-CG1 3.93Å; M141-V189 HydrophobicContact CG-CB 4.15Å; M141-V189 HydrophobicContact SD-CB 3.7Å; M141-V189 HydrophobicContact SD-CG1 4.05Å; M141-V189 HydrophobicContact SD-CG2 3.87Å; M141-V192 HydrophobicContact CB-CG2 3.62Å; M141-V192 HydrophobicContact CG-CG2 3.5Å; M141-V192 HydrophobicContact SD-CG2 3.83Å; M141-L205 HydrophobicContact CE-CD1 3.71Å; M141-L205 HydrophobicContact CE-CD2 3.75Å; M141-L205 HydrophobicContact CE-CG 4.31Å; M141-L205 HydrophobicContact SD-CD1 3.95Å
142E94.6Very high92Very high76 Ų7654.1 Ų54.136%0.35528%0.281SS..EExtended strand (participates in β ladder)trans-82.2132.2171.6-59.6-174.1135.400109.7Q118 F144 V189 A190Q118-E142 PolarHBondContact NE2-OE1 3.02Å; E142-F144 HydrophobicContact CB-CE1 4Å; E142-F144 HydrophobicContact CB-CE2 3.98Å; E142-F144 HydrophobicContact CB-CZ 3.51Å; E142-F144 HydrophobicContact CG-CZ 4.46Å; E142-F144 WeakPolarHBondContact OE2-CZ 3.38Å; E142-V189 WeakPolarHBondContact O-CA 3.41Å; E142-A190 HydrophobicContact CB-CB 4.02Å; E142-A190 PolarHBondContact O-N 2.89Å
143V94.8Very high92.1Very high21 Ų2146.9 Ų46.913%0.12725%0.25CS..EExtended strand (participates in β ladder)trans-116.8128.8174.9-1750000107.4Q118 K119 Q121 M141 V189Q118-V143 WeakPolarHBondContact CA-O 3.44Å; K119-V143 HydrophobicContact CG-CB 3.88Å; K119-V143 PolarHBondContact N-O 2.62Å; K119-V143 PolarHBondContact O-N 3.3Å; Q121-V143 HydrophobicContact CB-CG2 3.82Å; M141-V143 HydrophobicContact CE-CG2 4.38Å; V143-V189 HydrophobicContact CG1-CG1 4.38Å; V143-V189 HydrophobicContact CG2-CG1 4.12Å
144F95.3Very high92.1Very high1 Ų147.1 Ų47.10%0.00425%0.252CS..EExtended strand (participates in β ladder)trans-117141.5-174.6-53.4-72.3000109.8D117 Q118 E142 D187 W188 A190 N218 F220D117-F144 CarbonylContact O-C 3.6Å; D117-F144 WeakPolarHBondContact O-CA 3.43Å; Q118-F144 HydrophobicContact CB-CD1 4.2Å; Q118-F144 HydrophobicContact CG-CD1 4.04Å; Q118-F144 HydrophobicContact CG-CE1 3.95Å; E142-F144 HydrophobicContact CB-CE1 4Å; E142-F144 HydrophobicContact CB-CE2 3.98Å; E142-F144 HydrophobicContact CB-CZ 3.51Å; E142-F144 HydrophobicContact CG-CZ 4.46Å; E142-F144 WeakPolarHBondContact OE2-CZ 3.38Å; F144-D187 WeakPolarHBondContact O-CA 3.23Å; F144-W188 HydrophobicContact CB-CD2 3.7Å; F144-W188 VanDerWaalsContact CB-CE2 3.4Å; F144-W188 HydrophobicContact CB-CE3 4.01Å; F144-W188 HydrophobicContact CB-CG 4.32Å; F144-W188 HydrophobicContact CB-CH2 3.81Å; F144-W188 HydrophobicContact CB-CZ2 3.48Å; F144-W188 VanDerWaalsContact CB-CZ2 3.48Å; F144-W188 HydrophobicContact CB-CZ3 4.06Å; F144-W188 AromaticContact CD2-CD1 3.66Å; F144-W188 HydrophobicContact CD2-CD2 4.39Å; F144-W188 AromaticContact CD2-CE2 3.77Å; F144-W188 HydrophobicContact CD2-CG 4.34Å; F144-W188 HydrophobicContact CD2-CZ2 4.32Å; F144-W188 AromaticContact CD2-NE1 3.27Å; F144-W188 VanDerWaalsContact CD2-NE1 3.27Å; F144-W188 HydrophobicContact CG-CD2 4.48Å; F144-W188 AromaticContact CG-CE2 3.83Å; F144-W188 AromaticContact CG-CZ2 3.98Å; F144-W188 HydrophobicContact CG-CZ2 3.98Å; F144-W188 AromaticContact CG-NE1 3.82Å; F144-W188 PolarHBondContact N-O 3.05Å; F144-W188 PolarHBondContact O-N 2.82Å; F144-A190 HydrophobicContact CE2-CB 3.83Å; F144-A190 HydrophobicContact CZ-CB 4.3Å; F144-N218 WeakPolarHBondContact CE2-O 3.49Å; F144-N218 WeakPolarHBondContact CZ-O 3.31Å; F144-F220 HydrophobicContact CB-CD1 4.41Å; F144-F220 HydrophobicContact CB-CE1 3.75Å; F144-F220 HydrophobicContact CB-CZ 4.41Å; F144-F220 AromaticContact CD1-CD1 3.76Å; F144-F220 HydrophobicContact CD1-CD1 3.76Å; F144-F220 AromaticContact CD1-CE1 3.53Å; F144-F220 HydrophobicContact CD1-CE1 3.53Å; F144-F220 HydrophobicContact CD1-CE2 4.36Å; F144-F220 HydrophobicContact CD1-CG 4.27Å; F144-F220 AromaticContact CD1-CZ 3.85Å; F144-F220 HydrophobicContact CD1-CZ 3.85Å; F144-F220 HydrophobicContact CE1-CD1 4.45Å; F144-F220 HydrophobicContact CG-CD1 4.35Å; F144-F220 HydrophobicContact CG-CE1 4.02Å
145S94.5Very high92.3Very high15 Ų1540.5 Ų40.511%0.10523%0.226CC..EExtended strand (participates in β ladder)trans-127.8140.3166.7-162.30000109.8L116 D117 L186 D187L116-S145 WeakPolarHBondContact CA-O 3.23Å; D117-S145 PolarHBondContact N-O 3.09Å; D117-S145 PolarHBondContact O-N 3.32Å; S145-L186 CarbonylContact C-O 3.55Å; S145-L186 VanDerWaalsContact CA-O 3.23Å; S145-L186 WeakPolarHBondContact CA-O 3.46Å; S145-L186 PolarHBondContact OG-O 2.88Å; S145-D187 VanDerWaalsContact CB-OD1 3.25Å; S145-D187 WeakPolarHBondContact CB-OD1 3.39Å; S145-D187 PolarHBondContact OG-OD1 3.26Å
146A94.8Very high92.4Very high0 Ų039.1 Ų39.10%022%0.217CC..EExtended strand (participates in β ladder)trans-124.8120.317100000109.7T115 L116 I148 T185 L186 W188 F223T115-A146 WeakPolarHBondContact O-CA 3.36Å; L116-A146 HydrophobicContact CD2-CB 3.45Å; L116-A146 VanDerWaalsContact CD2-CB 3.45Å; A146-I148 HydrophobicContact CB-CG1 4.38Å; A146-T185 CarbonylContact O-C 3.55Å; A146-T185 WeakPolarHBondContact O-CA 3.28Å; A146-L186 HydrophobicContact CB-CB 4.3Å; A146-L186 PolarHBondContact N-O 3.05Å; A146-L186 PolarHBondContact O-N 3.38Å; A146-W188 HydrophobicContact CB-CH2 3.97Å; A146-W188 HydrophobicContact CB-CZ3 3.72Å; A146-F223 HydrophobicContact CB-CE1 3.85Å; A146-F223 HydrophobicContact CB-CE2 4.4Å; A146-F223 HydrophobicContact CB-CZ 3.67Å
147H94.1Very high92.3Very high79 Ų7936.8 Ų36.837%0.36620%0.201SC..EExtended strand (participates in β ladder)trans-102.2107.8172.7-60.6-64.4000108.7I114 T115 D117 T185I114-H147 WeakPolarHBondContact CA-O 3.42Å; T115-H147 PolarHBondContact N-O 3.18Å; T115-H147 PolarHBondContact O-N 2.52Å; D117-H147 IonicContact OD2-CD2 3.46Å; D117-H147 IonicContact OD2-NE2 2.6Å; H147-T185 PolarHBondContact ND1-OG1 2.77Å
148I94.5Very high92.3Very high2 Ų238 Ų381%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-109.1125.5-173.4-52.5166.5000108.1L112 N113 I114 A146 L156 L159 H183 L184 L186 F223L112-I148 HydrophobicContact CD1-CG2 3.53Å; N113-I148 WeakPolarHBondContact O-CA 3.38Å; I114-I148 HydrophobicContact CG1-CG1 4.36Å; I114-I148 HydrophobicContact CG1-CG2 4.2Å; I114-I148 HydrophobicContact CG2-CG1 4.16Å; A146-I148 HydrophobicContact CB-CG1 4.38Å; I148-L156 HydrophobicContact CG2-CD2 3.64Å; I148-L159 HydrophobicContact CD1-CD2 3.84Å; I148-H183 CarbonylContact O-C 3.47Å; I148-H183 WeakPolarHBondContact O-CA 3.38Å; I148-L184 WeakPolarHBondContact CA-O 3.19Å; I148-L184 HydrophobicContact CB-CB 4.21Å; I148-L184 WeakPolarHBondContact CB-O 3.42Å; I148-L184 HydrophobicContact CD1-CB 4.49Å; I148-L184 HydrophobicContact CD1-CD2 3.99Å; I148-L184 HydrophobicContact CD1-CG 4.2Å; I148-L184 PolarHBondContact N-O 2.9Å; I148-L184 PolarHBondContact O-N 2.82Å; I148-L186 HydrophobicContact CD1-CD1 3.92Å; I148-L186 HydrophobicContact CD1-CG 4.41Å; I148-F223 HydrophobicContact CD1-CZ 4.09Å
149F93.3Very high92.3Very high57 Ų5734.7 Ų34.725%0.2518%0.181CC..EExtended strand (participates in β ladder)trans-117.6131169.7170.2-101.7000109.2M111 L112 N113 T151 N182 H183M111-F149 HydrophobicContact CE-CD1 4.34Å; M111-F149 HydrophobicContact CE-CE1 3.84Å; L112-F149 CarbonylContact C-O 3.48Å; L112-F149 WeakPolarHBondContact CA-O 3.14Å; N113-F149 HydrophobicContact CB-CB 4.46Å; N113-F149 PolarHBondContact N-O 3.17Å; N113-F149 PolarHBondContact O-N 3.06Å; F149-T151 HydrophobicContact CE1-CG2 3.82Å; F149-T151 HydrophobicContact CZ-CG2 3.92Å; F149-N182 CarbonylContact C-O 3.6Å; F149-N182 WeakPolarHBondContact CA-O 3.3Å; F149-N182 HydrophobicContact CD2-CB 4.37Å; F149-N182 VanDerWaalsContact CD2-O 3.32Å; F149-N182 WeakPolarHBondContact CD2-O 3.32Å; F149-N182 HydrophobicContact CE2-CB 4.05Å; F149-H183 AromaticContact CD2-CD2 3.86Å; F149-H183 AromaticContact CD2-CE1 3.3Å; F149-H183 WeakPolarHBondContact CD2-CE1 3.24Å; F149-H183 AromaticContact CD2-ND1 3.8Å; F149-H183 AromaticContact CD2-NE2 3.31Å; F149-H183 VanDerWaalsContact CD2-NE2 3.31Å; F149-H183 WeakPolarHBondContact CD2-NE2 3.18Å; F149-H183 AromaticContact CE2-NE2 3.7Å
150S92.4Very high92.3Very high0 Ų033 Ų330%017%0.17CC..EExtended strand (participates in β ladder)trans-135.8140.6168.2-166.90000111.7M111 S152 N182M111-S150 VanDerWaalsContact O-CA 3.23Å; M111-S150 WeakPolarHBondContact O-CA 3.49Å; M111-S150 PolarHBondContact O-OG 2.91Å; S150-S152 PolarHBondContact O-N 2.91Å; S150-S152 PolarHBondContact OG-N 3.36Å; S150-S152 VanDerWaalsContact OG-N 3.15Å; S150-S152 PolarHBondContact OG-O 3.49Å; S150-N182 PolarHBondContact N-O 2.79Å; S150-N182 WeakPolarHBondContact O-CA 3.44Å; S150-N182 WeakPolarHBondContact O-CB 3.48Å; S150-N182 PolarHBondContact O-ND2 3.45Å
151T90.3Very high92.1Very high51 Ų5129.7 Ų29.731%0.31316%0.156SC..SBendtrans-74.9-12.2168.6640000112.3A110 M111 F149A110-T151 VanDerWaalsContact CA-OG1 3.27Å; A110-T151 WeakPolarHBondContact CA-OG1 3.43Å; M111-T151 HydrophobicContact CB-CG2 4.35Å; M111-T151 PolarHBondContact N-OG1 3.48Å; M111-T151 PolarHBondContact O-N 2.81Å; F149-T151 HydrophobicContact CE1-CG2 3.82Å; F149-T151 HydrophobicContact CZ-CG2 3.92Å
152S90.3Very high92.1Very high0 Ų033.2 Ų33.20%017%0.171CC..  trans-97.1106170.5172.50000109.9E107 S150 L154 F155 L156 R258E107-S152 VanDerWaalsContact OE2-CB 3.32Å; E107-S152 WeakPolarHBondContact OE2-CB 3.39Å; E107-S152 PolarHBondContact OE2-OG 3.05Å; S150-S152 PolarHBondContact O-N 2.91Å; S150-S152 PolarHBondContact OG-N 3.36Å; S150-S152 VanDerWaalsContact OG-N 3.15Å; S150-S152 PolarHBondContact OG-O 3.49Å; S152-L154 PolarHBondContact O-N 2.66Å; S152-F155 PolarHBondContact O-N 2.97Å; S152-F155 WeakPolarHBondContact OG-CB 3.35Å; S152-F155 PolarHBondContact OG-N 2.79Å; S152-F155 VanDerWaalsContact OG-N 3.09Å; S152-L156 PolarHBondContact O-N 3.23Å; S152-R258 PolarHBondContact OG-NH2 3.08Å
153C87.5Confident92Very high30 Ų3029.6 Ų29.620%0.20315%0.154CC..Hα-helixtrans-69.4-28.9176.870.10000111.4E107 F155 L156 K157 P181E107-C153 PolarHBondContact OE1-N 2.97Å; E107-C153 PolarHBondContact OE1-SG 2.84Å; E107-C153 VanDerWaalsContact OE1-SG 3.38Å; C153-F155 VanDerWaalsContact C-N 3.34Å; C153-L156 PolarHBondContact O-N 3.38Å; C153-K157 WeakPolarHBondContact O-CG 3.31Å; C153-K157 PolarHBondContact O-N 3.09Å; C153-P181 VanDerWaalsContact CA-O 3.3Å; C153-P181 WeakPolarHBondContact CA-O 3.33Å; C153-P181 HydrophobicContact CB-CB 4.12Å; C153-P181 WeakPolarHBondContact CB-O 3.39Å
154L87.5Confident92Very high99 Ų9931.2 Ų31.252%0.51816%0.158SC..Hα-helixtrans-65.4-39.5175.2-63.2179.5000111.3E107 S152 K157 L158E107-L154 HydrophobicContact CG-CD1 4Å; E107-L154 HydrophobicContact CG-CG 4.46Å; S152-L154 PolarHBondContact O-N 2.66Å; L154-K157 PolarHBondContact O-N 3.06Å; L154-L158 WeakPolarHBondContact O-CB 3.3Å; L154-L158 PolarHBondContact O-N 2.88Å
155F91.4Very high91.9Very high0 Ų031.8 Ų31.80%016%0.16CC..Hα-helixtrans-62.5-44.3174.9175.6-101.9000111.7L112 S152 C153 K157 L158 L159 I230 A231 D234 F236L112-F155 HydrophobicContact CD1-CD1 4.02Å; L112-F155 HydrophobicContact CD1-CE1 3.6Å; L112-F155 HydrophobicContact CD2-CD1 4.3Å; L112-F155 HydrophobicContact CD2-CE1 3.43Å; L112-F155 VanDerWaalsContact CD2-CE1 3.43Å; L112-F155 HydrophobicContact CD2-CZ 3.76Å; L112-F155 HydrophobicContact CG-CE1 4.12Å; S152-F155 PolarHBondContact O-N 2.97Å; S152-F155 WeakPolarHBondContact OG-CB 3.35Å; S152-F155 PolarHBondContact OG-N 2.79Å; S152-F155 VanDerWaalsContact OG-N 3.09Å; C153-F155 VanDerWaalsContact C-N 3.34Å; F155-K157 VanDerWaalsContact C-N 3.33Å; F155-K157 PolarHBondContact O-N 3.26Å; F155-L158 WeakPolarHBondContact O-CB 3.37Å; F155-L158 PolarHBondContact O-N 3.24Å; F155-L159 HydrophobicContact CE1-CB 4.46Å; F155-L159 HydrophobicContact CE1-CD2 4.16Å; F155-L159 HydrophobicContact CZ-CB 4.43Å; F155-L159 HydrophobicContact CZ-CD2 4.39Å; F155-L159 WeakPolarHBondContact O-CB 3.39Å; F155-L159 PolarHBondContact O-N 2.87Å; F155-I230 HydrophobicContact CE2-CG2 4.05Å; F155-A231 HydrophobicContact CE2-CB 3.81Å; F155-A231 HydrophobicContact CZ-CB 3.77Å; F155-D234 HydrophobicContact CD2-CB 4.07Å; F155-D234 WeakPolarHBondContact CD2-OD2 3.46Å; F155-D234 HydrophobicContact CE2-CB 4.47Å; F155-F236 HydrophobicContact CB-CE2 3.93Å; F155-F236 HydrophobicContact CB-CZ 4.27Å; F155-F236 HydrophobicContact CD1-CE2 4.3Å; F155-F236 HydrophobicContact CD1-CZ 4.46Å; F155-F236 HydrophobicContact CD2-CD2 4.17Å; F155-F236 AromaticContact CD2-CE2 3.72Å; F155-F236 HydrophobicContact CD2-CE2 3.72Å; F155-F236 HydrophobicContact CE2-CD2 4.45Å; F155-F236 HydrophobicContact CE2-CE2 4.38Å; F155-F236 HydrophobicContact CG-CD2 4.5Å; F155-F236 AromaticContact CG-CE2 3.67Å; F155-F236 HydrophobicContact CG-CE2 3.67Å; F155-F236 HydrophobicContact CG-CZ 4.17Å
156L91.7Very high91.6Very high0 Ų031.5 Ų31.50%016%0.159CC..Hα-helixtrans-64.8-36.8177.4-66.3-171.6000112.7I148 S152 C153 L159 G160 L178 N182 L184I148-L156 HydrophobicContact CG2-CD2 3.64Å; S152-L156 PolarHBondContact O-N 3.23Å; C153-L156 PolarHBondContact O-N 3.38Å; L156-L159 PolarHBondContact O-N 2.91Å; L156-G160 PolarHBondContact O-N 2.83Å; L156-L178 HydrophobicContact CB-CD2 4.18Å; L156-N182 VanDerWaalsContact CD1-O 3.3Å; L156-N182 WeakPolarHBondContact CD1-O 3.41Å; L156-L184 HydrophobicContact CD1-CB 4.47Å; L156-L184 HydrophobicContact CD2-CB 4.48Å
157K88.8Confident90.8Very high84 Ų8435.1 Ų35.137%0.36517%0.174SC..Hα-helixtrans-63.1-43.6171.8-72.4171.9-179.1171.90111.7C153 L154 F155 G160 S161C153-K157 WeakPolarHBondContact O-CG 3.31Å; C153-K157 PolarHBondContact O-N 3.09Å; L154-K157 PolarHBondContact O-N 3.06Å; F155-K157 VanDerWaalsContact C-N 3.33Å; F155-K157 PolarHBondContact O-N 3.26Å; K157-G160 PolarHBondContact O-N 3.49Å; K157-S161 WeakPolarHBondContact O-CB 3.48Å; K157-S161 PolarHBondContact O-N 2.86Å
158L91.1Very high89.8Confident59 Ų5935.1 Ų35.131%0.30918%0.177SC..Hα-helixtrans-59.6-50.5174.8174.363.3000110.4L154 F155 G160 S161 K162 I230 D234L154-L158 WeakPolarHBondContact O-CB 3.3Å; L154-L158 PolarHBondContact O-N 2.88Å; F155-L158 WeakPolarHBondContact O-CB 3.37Å; F155-L158 PolarHBondContact O-N 3.24Å; L158-G160 PolarHBondContact O-N 2.77Å; L158-S161 WeakPolarHBondContact O-CB 3.21Å; L158-S161 PolarHBondContact O-N 2.95Å; L158-S161 VanDerWaalsContact O-N 3.14Å; L158-S161 PolarHBondContact O-OG 3.27Å; L158-K162 WeakPolarHBondContact O-CG 3.3Å; L158-K162 PolarHBondContact O-N 3.23Å; L158-I230 HydrophobicContact CD2-CG2 4.03Å; L158-I230 HydrophobicContact CG-CG2 4.09Å; L158-D234 HydrophobicContact CD2-CB 4.18Å
159L92.7Very high88.7Confident0 Ų037.9 Ų37.90%021%0.206CC..Hα-helixtrans-59.5-48.2178.6-176.760.7000111.5I148 F155 L156 S161 K162 L163 L184 V227 I230I148-L159 HydrophobicContact CD1-CD2 3.84Å; F155-L159 HydrophobicContact CE1-CB 4.46Å; F155-L159 HydrophobicContact CE1-CD2 4.16Å; F155-L159 HydrophobicContact CZ-CB 4.43Å; F155-L159 HydrophobicContact CZ-CD2 4.39Å; F155-L159 WeakPolarHBondContact O-CB 3.39Å; F155-L159 PolarHBondContact O-N 2.87Å; L156-L159 PolarHBondContact O-N 2.91Å; L159-S161 PolarHBondContact O-N 3.15Å; L159-K162 PolarHBondContact O-N 2.86Å; L159-L163 HydrophobicContact CD1-CD1 3.82Å; L159-L163 HydrophobicContact CD1-CG 4.13Å; L159-L163 HydrophobicContact CG-CD1 3.91Å; L159-L163 HydrophobicContact CG-CG 4.46Å; L159-L163 WeakPolarHBondContact O-CG 3.28Å; L159-L163 PolarHBondContact O-N 3.08Å; L159-L163 VanDerWaalsContact O-N 3.09Å; L159-L184 HydrophobicContact CD2-CD2 4.37Å; L159-V227 HydrophobicContact CD1-CG2 4.17Å; L159-I230 HydrophobicContact CD1-CD1 3.73Å
160G91.3Very high88.3Confident0 Ų040.8 Ų40.80%022%0.224CC..Hα-helixtrans-63.3-23.4177.100000114.2L156 K157 L158 K162 S173 I174 S175L156-G160 PolarHBondContact O-N 2.83Å; K157-G160 PolarHBondContact O-N 3.49Å; L158-G160 PolarHBondContact O-N 2.77Å; G160-K162 VanDerWaalsContact C-N 3.35Å; G160-S173 PolarHBondContact O-OG 3.19Å; G160-S173 VanDerWaalsContact O-OG 3.13Å; G160-I174 PolarHBondContact O-N 2.82Å; G160-S175 PolarHBondContact O-N 3.42Å
161S90.3Very high87.9Confident48 Ų4844.5 Ų44.534%0.33624%0.244SC..Hα-helixtrans-77.5-20.2173.480.20000113.7K157 L158 L159 Y164K157-S161 WeakPolarHBondContact O-CB 3.48Å; K157-S161 PolarHBondContact O-N 2.86Å; L158-S161 WeakPolarHBondContact O-CB 3.21Å; L158-S161 PolarHBondContact O-N 2.95Å; L158-S161 VanDerWaalsContact O-N 3.14Å; L158-S161 PolarHBondContact O-OG 3.27Å; L159-S161 PolarHBondContact O-N 3.15Å; S161-Y164 VanDerWaalsContact O-CE2 3.25Å; S161-Y164 WeakPolarHBondContact O-CE2 3.35Å; S161-Y164 PolarHBondContact O-OH 3.41Å
162K92.2Very high87.8Confident76 Ų7643.6 Ų43.633%0.3324%0.24SC..Hα-helixtrans-97.2-24.1-179.2-62.4-62.9-178.5179.80112.9L158 L159 G160 V210 V211 I230L158-K162 WeakPolarHBondContact O-CG 3.3Å; L158-K162 PolarHBondContact O-N 3.23Å; L159-K162 PolarHBondContact O-N 2.86Å; G160-K162 VanDerWaalsContact C-N 3.35Å; K162-V210 WeakPolarHBondContact O-CA 3.35Å; K162-V211 PolarHBondContact O-N 3.14Å; K162-I230 HydrophobicContact CB-CD1 3.8Å; K162-I230 HydrophobicContact CG-CD1 4.06Å
163L93.9Very high87.5Confident0 Ų044.7 Ų44.70%025%0.247CC..EExtended strand (participates in β ladder)trans-97.8140.7179.7-60.3-177.8000111.4L159 I174 L186 L208 W209 V210 I217 F223L159-L163 HydrophobicContact CD1-CD1 3.82Å; L159-L163 HydrophobicContact CD1-CG 4.13Å; L159-L163 HydrophobicContact CG-CD1 3.91Å; L159-L163 HydrophobicContact CG-CG 4.46Å; L159-L163 WeakPolarHBondContact O-CG 3.28Å; L159-L163 PolarHBondContact O-N 3.08Å; L159-L163 VanDerWaalsContact O-N 3.09Å; L163-I174 HydrophobicContact CB-CB 4.3Å; L163-I174 HydrophobicContact CB-CG1 3.68Å; L163-I174 VanDerWaalsContact O-CG1 3.31Å; L163-I174 WeakPolarHBondContact O-CG1 3.48Å; L163-I174 PolarHBondContact O-N 3.36Å; L163-L186 HydrophobicContact CD1-CD1 3.55Å; L163-L208 HydrophobicContact CB-CD1 4.35Å; L163-W209 WeakPolarHBondContact CA-O 3.23Å; L163-V210 HydrophobicContact CD2-CG2 3.74Å; L163-I217 HydrophobicContact CD2-CD1 3.77Å; L163-F223 HydrophobicContact CD1-CE2 4.38Å
164Y94.3Very high87.4Confident55 Ų5543.3 Ų43.322%0.21624%0.238CC..EExtended strand (participates in β ladder)trans-136.6138.7-179.4-70.8-105.1000110.6S161 L171 S172 S173 W209 V211S161-Y164 VanDerWaalsContact O-CE2 3.25Å; S161-Y164 WeakPolarHBondContact O-CE2 3.35Å; S161-Y164 PolarHBondContact O-OH 3.41Å; Y164-L171 HydrophobicContact CD1-CB 3.89Å; Y164-L171 HydrophobicContact CG-CB 4.34Å; Y164-S172 CarbonylContact C-O 3.58Å; Y164-S172 VanDerWaalsContact CA-O 3.24Å; Y164-S172 WeakPolarHBondContact CA-O 3.18Å; Y164-S173 VanDerWaalsContact CD1-CA 3.44Å; Y164-W209 PolarHBondContact N-O 2.74Å; Y164-W209 PolarHBondContact O-N 2.56Å; Y164-V211 HydrophobicContact CD2-CB 3.77Å; Y164-V211 HydrophobicContact CD2-CG2 3.4Å; Y164-V211 VanDerWaalsContact CD2-CG2 3.4Å; Y164-V211 HydrophobicContact CE2-CB 3.68Å; Y164-V211 HydrophobicContact CE2-CG1 4.22Å; Y164-V211 HydrophobicContact CE2-CG2 3.77Å; Y164-V211 HydrophobicContact CG-CG2 4Å
165Y92.6Very high86.9Confident12 Ų1241.7 Ų41.75%0.04723%0.234CC..EExtended strand (participates in β ladder)trans-80.4131.6161.8-74.5-52000109.3L171 S172 I174 Y177 L186 D187 K206 R207 L208Y165-L171 CarbonylContact O-C 3.51Å; Y165-L171 WeakPolarHBondContact O-CA 3.39Å; Y165-S172 PolarHBondContact N-O 2.88Å; Y165-S172 PolarHBondContact O-N 3.21Å; Y165-I174 HydrophobicContact CD1-CD1 4.22Å; Y165-I174 HydrophobicContact CD2-CD1 3.24Å; Y165-I174 HydrophobicContact CE1-CD1 4.14Å; Y165-I174 HydrophobicContact CE2-CD1 3.15Å; Y165-I174 HydrophobicContact CG-CD1 3.78Å; Y165-Y177 HydrophobicContact CD2-CD2 4.4Å; Y165-Y177 HydrophobicContact CD2-CE2 4.03Å; Y165-L186 VanDerWaalsContact OH-CA 3.3Å; Y165-L186 WeakPolarHBondContact OH-CA 3.39Å; Y165-D187 WeakPolarHBondContact CE1-O 3.3Å; Y165-D187 PolarHBondContact OH-N 3.22Å; Y165-D187 PolarHBondContact OH-O 3.26Å; Y165-K206 HydrophobicContact CD1-CB 3.91Å; Y165-K206 HydrophobicContact CD1-CD 4.29Å; Y165-K206 HydrophobicContact CD2-CD 4.44Å; Y165-K206 HydrophobicContact CE1-CB 4.25Å; Y165-K206 HydrophobicContact CE1-CD 4.35Å; Y165-K206 HydrophobicContact CE2-CD 4.49Å; Y165-K206 HydrophobicContact CG-CD 4.35Å; Y165-R207 WeakPolarHBondContact CA-O 3.41Å; Y165-L208 HydrophobicContact CD1-CD1 4.04Å; Y165-L208 HydrophobicContact CE1-CD1 3.96Å
166C88Confident85.9Confident10 Ų1045.9 Ų45.97%0.06826%0.264CS..EExtended strand (participates in β ladder)trans-93116.9165.8-1770000108.7N170 L171 R207 W209C166-N170 WeakPolarHBondContact CA-O 3.27Å; C166-L171 HydrophobicContact CB-CD2 3.85Å; C166-R207 HydrophobicContact CB-CB 4.49Å; C166-R207 PolarHBondContact N-O 3.2Å; C166-W209 VanDerWaalsContact CB-CD1 3.41Å; C166-W209 HydrophobicContact CB-CG 4.32Å
167F78.1Confident84.9Confident75 Ų7551 Ų5133%0.32928%0.284SS..EExtended strand (participates in β ladder)trans-129.1119.5174.5-173.1-102.2000108.9G169 N170 T201F167-G169 PolarHBondContact O-N 3.13Å; F167-N170 PolarHBondContact N-O 3.35Å; F167-N170 WeakPolarHBondContact O-CB 3.48Å; F167-N170 PolarHBondContact O-N 3.46Å; F167-T201 HydrophobicContact CZ-CG2 4.5Å
168N74.3Confident84.4Confident80 Ų8049 Ų4943%0.42828%0.277SS..THydrogen-bonded Turntrans56.536.4179.3-523.7000113.2N170 T201N168-N170 PolarHBondContact O-N 3.06Å; N168-T201 VanDerWaalsContact ND2-CG2 3.31Å; N168-T201 WeakPolarHBondContact ND2-CG2 3.4Å; N168-T201 WeakPolarHBondContact OD1-CB 3.41Å; N168-T201 WeakPolarHBondContact OD1-CG2 3.49Å; N168-T201 PolarHBondContact OD1-OG1 3.35Å
169G71.7Confident83.7Confident60 Ų6055.3 Ų55.362%0.61931%0.305SS*.THydrogen-bonded Turntrans74.9-2.9-175.100000114.9F167F167-G169 PolarHBondContact O-N 3.13Å
170N83.2Confident83.2Confident118 Ų11858.5 Ų58.563%0.63132%0.322SS*.EExtended strand (participates in β ladder)trans-95.6139.1173.9-65.4-50.2000110.7C166 F167 N168C166-N170 WeakPolarHBondContact CA-O 3.27Å; F167-N170 PolarHBondContact N-O 3.35Å; F167-N170 WeakPolarHBondContact O-CB 3.48Å; F167-N170 PolarHBondContact O-N 3.46Å; N168-N170 PolarHBondContact O-N 3.06Å
171L85.1Confident82.8Confident77 Ų7760.5 Ų60.540%0.40334%0.335SS..EExtended strand (participates in β ladder)trans-93.6121174.6-64.6175.5000109.8Y164 Y165 C166 W209 V211Y164-L171 HydrophobicContact CD1-CB 3.89Å; Y164-L171 HydrophobicContact CG-CB 4.34Å; Y165-L171 CarbonylContact O-C 3.51Å; Y165-L171 WeakPolarHBondContact O-CA 3.39Å; C166-L171 HydrophobicContact CB-CD2 3.85Å; L171-W209 HydrophobicContact CD2-CB 4.22Å; L171-W209 HydrophobicContact CD2-CG 4.2Å; L171-V211 HydrophobicContact CD1-CG2 4.26Å
172S86.8Confident82.8Confident33 Ų3360.7 Ų60.723%0.23133%0.332CS..EExtended strand (participates in β ladder)trans-107.1127.6168.860.90000110.2Y164 Y165 Y177Y164-S172 CarbonylContact C-O 3.58Å; Y164-S172 VanDerWaalsContact CA-O 3.24Å; Y164-S172 WeakPolarHBondContact CA-O 3.18Å; Y165-S172 PolarHBondContact N-O 2.88Å; Y165-S172 PolarHBondContact O-N 3.21Å; S172-Y177 PolarHBondContact OG-OH 2.9Å
173S84.4Confident82.8Confident22 Ų2261.6 Ų61.615%0.15434%0.338CS..EExtended strand (participates in β ladder)trans-64.6141.6179.3178.70000110.5G160 Y164 S175 S176 Y177G160-S173 PolarHBondContact O-OG 3.19Å; G160-S173 VanDerWaalsContact O-OG 3.13Å; Y164-S173 VanDerWaalsContact CD1-CA 3.44Å; S173-S175 WeakPolarHBondContact CB-OG 3.32Å; S173-S175 PolarHBondContact O-N 3.31Å; S173-S175 WeakPolarHBondContact OG-CB 3.37Å; S173-S175 PolarHBondContact OG-N 3.02Å; S173-S175 VanDerWaalsContact OG-N 3.15Å; S173-S175 PolarHBondContact OG-OG 3.41Å; S173-S176 PolarHBondContact O-N 3.09Å; S173-S176 PolarHBondContact O-OG 2.97Å; S173-Y177 WeakPolarHBondContact O-CD2 3.44Å; S173-Y177 WeakPolarHBondContact O-CE2 3.3Å
174I86.9Confident82.7Confident1 Ų161.8 Ų61.81%0.00534%0.339CS..G310 helixtrans-63.8-23.5172-65.7-54.9000111.8G160 L163 Y165 S176 Y177 L184 L186 L208G160-I174 PolarHBondContact O-N 2.82Å; L163-I174 HydrophobicContact CB-CB 4.3Å; L163-I174 HydrophobicContact CB-CG1 3.68Å; L163-I174 VanDerWaalsContact O-CG1 3.31Å; L163-I174 WeakPolarHBondContact O-CG1 3.48Å; L163-I174 PolarHBondContact O-N 3.36Å; Y165-I174 HydrophobicContact CD1-CD1 4.22Å; Y165-I174 HydrophobicContact CD2-CD1 3.24Å; Y165-I174 HydrophobicContact CE1-CD1 4.14Å; Y165-I174 HydrophobicContact CE2-CD1 3.15Å; Y165-I174 HydrophobicContact CG-CD1 3.78Å; I174-S176 PolarHBondContact O-N 2.78Å; I174-S176 VanDerWaalsContact O-N 3.08Å; I174-Y177 WeakPolarHBondContact O-CB 3.36Å; I174-Y177 PolarHBondContact O-N 3.14Å; I174-L184 HydrophobicContact CG2-CD1 3.51Å; I174-L184 HydrophobicContact CG2-CD2 3.97Å; I174-L184 HydrophobicContact CG2-CG 4.36Å; I174-L186 HydrophobicContact CD1-CD2 3.69Å; I174-L186 HydrophobicContact CG1-CD2 3.91Å; I174-L186 HydrophobicContact CG2-CD2 3.76Å; I174-L208 HydrophobicContact CD1-CD1 4.27Å; I174-L208 HydrophobicContact CG1-CD1 4.4Å
175S76.9Confident82.7Confident65 Ų6562.7 Ų62.746%0.45535%0.35SS..G310 helixtrans-53.2-31.5178.3620000114.4G160 S173 Y177G160-S175 PolarHBondContact O-N 3.42Å; S173-S175 WeakPolarHBondContact CB-OG 3.32Å; S173-S175 PolarHBondContact O-N 3.31Å; S173-S175 WeakPolarHBondContact OG-CB 3.37Å; S173-S175 PolarHBondContact OG-N 3.02Å; S173-S175 VanDerWaalsContact OG-N 3.15Å; S173-S175 PolarHBondContact OG-OG 3.41Å; S175-Y177 PolarHBondContact O-N 2.87Å
176S70.1Confident82.8Confident89 Ų8962.1 Ų62.162%0.62235%0.348SS*.G310 helixtrans-74-11.4176.856.10000114.4S173 I174S173-S176 PolarHBondContact O-N 3.09Å; S173-S176 PolarHBondContact O-OG 2.97Å; I174-S176 PolarHBondContact O-N 2.78Å; I174-S176 VanDerWaalsContact O-N 3.08Å
177Y70.7Confident83.1Confident107 Ų10765.5 Ų65.542%0.4237%0.365SS..G310 helixtrans-106.2-2.8-177.3-56.6-89.2000113.1Y165 S172 S173 I174 S175 Q179Y165-Y177 HydrophobicContact CD2-CD2 4.4Å; Y165-Y177 HydrophobicContact CD2-CE2 4.03Å; S172-Y177 PolarHBondContact OG-OH 2.9Å; S173-Y177 WeakPolarHBondContact O-CD2 3.44Å; S173-Y177 WeakPolarHBondContact O-CE2 3.3Å; I174-Y177 WeakPolarHBondContact O-CB 3.36Å; I174-Y177 PolarHBondContact O-N 3.14Å; S175-Y177 PolarHBondContact O-N 2.87Å; Y177-Q179 PolarHBondContact O-N 3.38Å
178L76.9Confident83.9Confident42 Ų4262.1 Ų62.122%0.2235%0.35CS..  trans-72.793.9172.8-89.3153.5000109.7L156 L184L156-L178 HydrophobicContact CB-CD2 4.18Å; L178-L184 HydrophobicContact CD2-CB 4.22Å; L178-L184 HydrophobicContact CD2-CD1 4.38Å; L178-L184 HydrophobicContact CG-CD1 4.3Å
179Q76.8Confident84.8Confident192 Ų19258.7 Ų58.790%0.89733%0.332SS*.  trans-87.3-32.1173.3-65.4-179.2-10.200112Y177Y177-Q179 PolarHBondContact O-N 3.38Å
180D82.7Confident85.8Confident66 Ų6656.3 Ų56.335%0.35331%0.307SS..SBendtrans-108.4131.1179.2-175.9-46.6000108.9N182 H183D180-N182 PolarHBondContact O-N 2.97Å; D180-N182 WeakPolarHBondContact OD1-CA 3.44Å; D180-N182 PolarHBondContact OD1-N 3.15Å; D180-H183 HydrophobicContact CB-CB 3.97Å; D180-H183 IonicContact OD1-CD2 3.7Å; D180-H183 PolarHBondContact OD1-N 3.01Å; D180-H183 IonicContact OD2-CD2 2.64Å; D180-H183 PolarHBondContact OD2-CD2 3.5Å; D180-H183 IonicContact OD2-CG 3.99Å
181P83.6Confident86.2Confident43 Ų4353.2 Ų53.228%0.27929%0.294SS..SBendtrans-67.5-21-178.727.2-34.6000114.1C153C153-P181 VanDerWaalsContact CA-O 3.3Å; C153-P181 WeakPolarHBondContact CA-O 3.33Å; C153-P181 HydrophobicContact CB-CB 4.12Å; C153-P181 WeakPolarHBondContact CB-O 3.39Å
182N90.1Very high86.4Confident51 Ų5150.3 Ų50.327%0.27328%0.28SS..SBendtrans-116.1-7.4-174.3-67.6101.8000113.6F149 S150 L156 D180F149-N182 CarbonylContact C-O 3.6Å; F149-N182 WeakPolarHBondContact CA-O 3.3Å; F149-N182 HydrophobicContact CD2-CB 4.37Å; F149-N182 VanDerWaalsContact CD2-O 3.32Å; F149-N182 WeakPolarHBondContact CD2-O 3.32Å; F149-N182 HydrophobicContact CE2-CB 4.05Å; S150-N182 PolarHBondContact N-O 2.79Å; S150-N182 WeakPolarHBondContact O-CA 3.44Å; S150-N182 WeakPolarHBondContact O-CB 3.48Å; S150-N182 PolarHBondContact O-ND2 3.45Å; L156-N182 VanDerWaalsContact CD1-O 3.3Å; L156-N182 WeakPolarHBondContact CD1-O 3.41Å; D180-N182 PolarHBondContact O-N 2.97Å; D180-N182 WeakPolarHBondContact OD1-CA 3.44Å; D180-N182 PolarHBondContact OD1-N 3.15Å
183H91.3Very high86.3Confident95 Ų9557.7 Ų57.744%0.4431%0.311SS..EExtended strand (participates in β ladder)trans-124.7138.8177.7-70.8-91.8000113.1I148 F149 D180I148-H183 CarbonylContact O-C 3.47Å; I148-H183 WeakPolarHBondContact O-CA 3.38Å; F149-H183 AromaticContact CD2-CD2 3.86Å; F149-H183 AromaticContact CD2-CE1 3.3Å; F149-H183 WeakPolarHBondContact CD2-CE1 3.24Å; F149-H183 AromaticContact CD2-ND1 3.8Å; F149-H183 AromaticContact CD2-NE2 3.31Å; F149-H183 VanDerWaalsContact CD2-NE2 3.31Å; F149-H183 WeakPolarHBondContact CD2-NE2 3.18Å; F149-H183 AromaticContact CE2-NE2 3.7Å; D180-H183 HydrophobicContact CB-CB 3.97Å; D180-H183 IonicContact OD1-CD2 3.7Å; D180-H183 PolarHBondContact OD1-N 3.01Å; D180-H183 IonicContact OD2-CD2 2.64Å; D180-H183 PolarHBondContact OD2-CD2 3.5Å; D180-H183 IonicContact OD2-CG 3.99Å
184L93.2Very high86.2Confident5 Ų559.4 Ų59.43%0.02633%0.332CS..EExtended strand (participates in β ladder)trans-136.6123.5173.217361.4000109.9I148 L156 L159 I174 L178 L186I148-L184 WeakPolarHBondContact CA-O 3.19Å; I148-L184 HydrophobicContact CB-CB 4.21Å; I148-L184 WeakPolarHBondContact CB-O 3.42Å; I148-L184 HydrophobicContact CD1-CB 4.49Å; I148-L184 HydrophobicContact CD1-CD2 3.99Å; I148-L184 HydrophobicContact CD1-CG 4.2Å; I148-L184 PolarHBondContact N-O 2.9Å; I148-L184 PolarHBondContact O-N 2.82Å; L156-L184 HydrophobicContact CD1-CB 4.47Å; L156-L184 HydrophobicContact CD2-CB 4.48Å; L159-L184 HydrophobicContact CD2-CD2 4.37Å; I174-L184 HydrophobicContact CG2-CD1 3.51Å; I174-L184 HydrophobicContact CG2-CD2 3.97Å; I174-L184 HydrophobicContact CG2-CG 4.36Å; L178-L184 HydrophobicContact CD2-CB 4.22Å; L178-L184 HydrophobicContact CD2-CD1 4.38Å; L178-L184 HydrophobicContact CG-CD1 4.3Å; L184-L186 HydrophobicContact CD1-CD2 3.93Å; L184-L186 HydrophobicContact CD1-CG 4.45Å; L184-L186 HydrophobicContact CD2-CD1 4.45Å; L184-L186 HydrophobicContact CD2-CD2 4.32Å; L184-L186 HydrophobicContact CD2-CG 4.39Å; L184-L186 HydrophobicContact CG-CD2 4.14Å; L184-L186 HydrophobicContact CG-CG 4.15Å
185T93.3Very high86.3Confident74 Ų7460 Ų6045%0.45434%0.335SS..EExtended strand (participates in β ladder)trans-107.8129.4172.4-620000109.8A146 H147A146-T185 CarbonylContact O-C 3.55Å; A146-T185 WeakPolarHBondContact O-CA 3.28Å; H147-T185 PolarHBondContact ND1-OG1 2.77Å
186L94.6Very high86.8Confident0 Ų059 Ų590%033%0.327CS..EExtended strand (participates in β ladder)trans-120.1129.7176.3-58.8175.5000110.2S145 A146 I148 L163 Y165 I174 L184 W188 L208 F223S145-L186 CarbonylContact C-O 3.55Å; S145-L186 VanDerWaalsContact CA-O 3.23Å; S145-L186 WeakPolarHBondContact CA-O 3.46Å; S145-L186 PolarHBondContact OG-O 2.88Å; A146-L186 HydrophobicContact CB-CB 4.3Å; A146-L186 PolarHBondContact N-O 3.05Å; A146-L186 PolarHBondContact O-N 3.38Å; I148-L186 HydrophobicContact CD1-CD1 3.92Å; I148-L186 HydrophobicContact CD1-CG 4.41Å; L163-L186 HydrophobicContact CD1-CD1 3.55Å; Y165-L186 VanDerWaalsContact OH-CA 3.3Å; Y165-L186 WeakPolarHBondContact OH-CA 3.39Å; I174-L186 HydrophobicContact CD1-CD2 3.69Å; I174-L186 HydrophobicContact CG1-CD2 3.91Å; I174-L186 HydrophobicContact CG2-CD2 3.76Å; L184-L186 HydrophobicContact CD1-CD2 3.93Å; L184-L186 HydrophobicContact CD1-CG 4.45Å; L184-L186 HydrophobicContact CD2-CD1 4.45Å; L184-L186 HydrophobicContact CD2-CD2 4.32Å; L184-L186 HydrophobicContact CD2-CG 4.39Å; L184-L186 HydrophobicContact CG-CD2 4.14Å; L184-L186 HydrophobicContact CG-CG 4.15Å; L186-W188 HydrophobicContact CB-CE3 4.07Å; L186-W188 HydrophobicContact CB-CZ3 3.98Å; L186-L208 HydrophobicContact CD1-CD2 4.2Å; L186-F223 HydrophobicContact CD1-CE2 3.78Å; L186-F223 HydrophobicContact CD1-CZ 4.15Å
187D93.8Very high87.5Confident81 Ų8159.8 Ų59.843%0.43332%0.321SS..EExtended strand (participates in β ladder)trans-125.8123.5176-62.2-57.4000109.2F144 S145 Y165F144-D187 WeakPolarHBondContact O-CA 3.23Å; S145-D187 VanDerWaalsContact CB-OD1 3.25Å; S145-D187 WeakPolarHBondContact CB-OD1 3.39Å; S145-D187 PolarHBondContact OG-OD1 3.26Å; Y165-D187 WeakPolarHBondContact CE1-O 3.3Å; Y165-D187 PolarHBondContact OH-N 3.22Å; Y165-D187 PolarHBondContact OH-O 3.26Å
188W94.9Very high88.3Confident3 Ų362.3 Ų62.31%0.01134%0.337CS..EExtended strand (participates in β ladder)trans-149.8166.7-179.474.599.6000112.6F144 A146 L186 K206 L208 I217 F220 F223F144-W188 HydrophobicContact CB-CD2 3.7Å; F144-W188 VanDerWaalsContact CB-CE2 3.4Å; F144-W188 HydrophobicContact CB-CE3 4.01Å; F144-W188 HydrophobicContact CB-CG 4.32Å; F144-W188 HydrophobicContact CB-CH2 3.81Å; F144-W188 HydrophobicContact CB-CZ2 3.48Å; F144-W188 VanDerWaalsContact CB-CZ2 3.48Å; F144-W188 HydrophobicContact CB-CZ3 4.06Å; F144-W188 AromaticContact CD2-CD1 3.66Å; F144-W188 HydrophobicContact CD2-CD2 4.39Å; F144-W188 AromaticContact CD2-CE2 3.77Å; F144-W188 HydrophobicContact CD2-CG 4.34Å; F144-W188 HydrophobicContact CD2-CZ2 4.32Å; F144-W188 AromaticContact CD2-NE1 3.27Å; F144-W188 VanDerWaalsContact CD2-NE1 3.27Å; F144-W188 HydrophobicContact CG-CD2 4.48Å; F144-W188 AromaticContact CG-CE2 3.83Å; F144-W188 AromaticContact CG-CZ2 3.98Å; F144-W188 HydrophobicContact CG-CZ2 3.98Å; F144-W188 AromaticContact CG-NE1 3.82Å; F144-W188 PolarHBondContact N-O 3.05Å; F144-W188 PolarHBondContact O-N 2.82Å; A146-W188 HydrophobicContact CB-CH2 3.97Å; A146-W188 HydrophobicContact CB-CZ3 3.72Å; L186-W188 HydrophobicContact CB-CE3 4.07Å; L186-W188 HydrophobicContact CB-CZ3 3.98Å; W188-K206 CarbonylContact C-O 3.57Å; W188-K206 VanDerWaalsContact CA-O 3.22Å; W188-K206 WeakPolarHBondContact CA-O 3.22Å; W188-K206 WeakPolarHBondContact CB-O 3.17Å; W188-L208 HydrophobicContact CB-CB 3.68Å; W188-L208 HydrophobicContact CD2-CB 4.09Å; W188-L208 HydrophobicContact CD2-CD2 3.85Å; W188-L208 HydrophobicContact CE3-CD2 3.91Å; W188-L208 HydrophobicContact CG-CB 3.59Å; W188-L208 HydrophobicContact CG-CD2 4.27Å; W188-L208 HydrophobicContact CZ3-CD2 4.31Å; W188-I217 HydrophobicContact CZ2-CG2 4.01Å; W188-I217 PolarHBondContact NE1-O 3.45Å; W188-I217 VanDerWaalsContact NE1-O 3.15Å; W188-F220 HydrophobicContact CH2-CD1 4.31Å; W188-F220 HydrophobicContact CH2-CE1 4.16Å; W188-F220 HydrophobicContact CZ2-CD1 4.16Å; W188-F220 HydrophobicContact CZ2-CE1 4.29Å; W188-F223 HydrophobicContact CH2-CB 4.36Å; W188-F223 HydrophobicContact CH2-CD1 4.29Å; W188-F223 AromaticContact CH2-CD2 3.81Å; W188-F223 HydrophobicContact CH2-CD2 3.81Å; W188-F223 HydrophobicContact CH2-CE2 4.16Å; W188-F223 AromaticContact CH2-CG 3.88Å; W188-F223 HydrophobicContact CH2-CG 3.88Å; W188-F223 HydrophobicContact CZ2-CB 4.02Å; W188-F223 HydrophobicContact CZ2-CD2 4.04Å; W188-F223 HydrophobicContact CZ2-CG 4.02Å; W188-F223 HydrophobicContact CZ3-CD2 4.49Å; W188-F223 HydrophobicContact CZ3-CE2 4.49Å
189V94.8Very high88.8Confident8 Ų861.2 Ų61.25%0.04833%0.33CS..EExtended strand (participates in β ladder)trans-117.4152.4179.2-55.10000112.1M141 E142 V143 Y200 L205 K206 R207M141-V189 HydrophobicContact CE-CB 4.26Å; M141-V189 HydrophobicContact CE-CG1 3.93Å; M141-V189 HydrophobicContact CG-CB 4.15Å; M141-V189 HydrophobicContact SD-CB 3.7Å; M141-V189 HydrophobicContact SD-CG1 4.05Å; M141-V189 HydrophobicContact SD-CG2 3.87Å; E142-V189 WeakPolarHBondContact O-CA 3.41Å; V143-V189 HydrophobicContact CG1-CG1 4.38Å; V143-V189 HydrophobicContact CG2-CG1 4.12Å; V189-Y200 HydrophobicContact CG2-CD1 4.18Å; V189-Y200 HydrophobicContact CG2-CE1 3.93Å; V189-L205 HydrophobicContact CG1-CB 4.48Å; V189-L205 HydrophobicContact CG1-CD2 4.33Å; V189-L205 HydrophobicContact CG2-CB 3.97Å; V189-K206 PolarHBondContact N-O 2.58Å; V189-R207 HydrophobicContact CG2-CG 4.1Å
190A92.9Very high89.4Confident10 Ų1052.6 Ų52.68%0.08329%0.289CS..  trans-65.4155.816600000111.1E142 F144E142-A190 HydrophobicContact CB-CB 4.02Å; E142-A190 PolarHBondContact O-N 2.89Å; F144-A190 HydrophobicContact CE2-CB 3.83Å; F144-A190 HydrophobicContact CZ-CB 4.3Å
191S89.6Confident89.5Confident53 Ų5351.7 Ų51.737%0.37129%0.287SS..  trans-71136.3164-710000109.7Y200 Q216S191-Y200 WeakPolarHBondContact CA-OH 3.13Å; S191-Q216 VanDerWaalsContact OG-CD 3.26Å; S191-Q216 PolarHBondContact OG-NE2 2.87Å; S191-Q216 PolarHBondContact OG-OE1 2.79Å
192V89.4Confident89.7Confident17 Ų1757.3 Ų57.310%0.10330%0.302CS..  trans-110.1124.4179.2178.50000106.5M141 G194 L195 Y200M141-V192 HydrophobicContact CB-CG2 3.62Å; M141-V192 HydrophobicContact CG-CG2 3.5Å; M141-V192 HydrophobicContact SD-CG2 3.83Å; V192-G194 PolarHBondContact O-N 2.82Å; V192-L195 HydrophobicContact CB-CB 3.83Å; V192-L195 HydrophobicContact CB-CD2 4.08Å; V192-L195 HydrophobicContact CG1-CB 4.11Å; V192-L195 HydrophobicContact CG2-CD2 4.3Å; V192-L195 PolarHBondContact O-N 2.84Å; V192-Y200 PolarHBondContact N-OH 2.83Å
193E85.1Confident89.6Confident187 Ų18757.7 Ų57.787%0.87430%0.303SS*.THydrogen-bonded Turntrans-60.6129.5178.4-169.5175.6-176.800110.3L195E193-L195 VanDerWaalsContact C-N 3.28Å; E193-L195 PolarHBondContact O-N 3.15Å
194G83.1Confident89.5Confident58 Ų5858 Ų5860%0.59831%0.307SS*.THydrogen-bonded Turntrans79.6-4.2179.500000115.9F125 V192 P196F125-G194 WeakPolarHBondContact CE2-O 3.45Å; V192-G194 PolarHBondContact O-N 2.82Å; G194-P196 VanDerWaalsContact O-CD 3.26Å; G194-P196 WeakPolarHBondContact O-CD 3.25Å
195L87.9Confident89.3Confident13 Ų1358.6 Ų58.67%0.06831%0.31CS..  trans-74.4117.7173.3-176.261.2000109.9V123 F125 V192 E193 E199 Y200 L205V123-L195 HydrophobicContact CG1-CD2 4.3Å; V123-L195 HydrophobicContact CG2-CD1 4.3Å; V123-L195 HydrophobicContact CG2-CD2 4.26Å; F125-L195 HydrophobicContact CB-CD1 3.52Å; F125-L195 HydrophobicContact CD1-CD1 3.47Å; F125-L195 VanDerWaalsContact CD1-CD1 3.47Å; F125-L195 HydrophobicContact CD2-CD1 3.84Å; F125-L195 HydrophobicContact CE1-CD1 4.05Å; F125-L195 HydrophobicContact CE2-CD1 4.35Å; F125-L195 HydrophobicContact CG-CD1 3.34Å; F125-L195 HydrophobicContact CZ-CD1 4.45Å; V192-L195 HydrophobicContact CB-CB 3.83Å; V192-L195 HydrophobicContact CB-CD2 4.08Å; V192-L195 HydrophobicContact CG1-CB 4.11Å; V192-L195 HydrophobicContact CG2-CD2 4.3Å; V192-L195 PolarHBondContact O-N 2.84Å; E193-L195 VanDerWaalsContact C-N 3.28Å; E193-L195 PolarHBondContact O-N 3.15Å; L195-E199 HydrophobicContact CD1-CB 3.53Å; L195-E199 HydrophobicContact CD1-CG 4.03Å; L195-E199 HydrophobicContact CG-CB 4.07Å; L195-Y200 HydrophobicContact CB-CE2 4.03Å; L195-Y200 HydrophobicContact CD2-CD1 4.48Å; L195-Y200 HydrophobicContact CD2-CD2 4.21Å; L195-Y200 HydrophobicContact CD2-CE1 3.95Å; L195-Y200 HydrophobicContact CD2-CE2 3.68Å; L195-Y200 HydrophobicContact CG-CD2 4.23Å; L195-Y200 HydrophobicContact CG-CE2 3.72Å; L195-L205 HydrophobicContact CD2-CD1 4.38Å
196P87.9Confident89.2Confident46 Ų4658.4 Ų58.430%0.29930%0.303SS..  trans-61146.1179.4-24.334.7000112.7G194 E198 E199G194-P196 VanDerWaalsContact O-CD 3.26Å; G194-P196 WeakPolarHBondContact O-CD 3.25Å; P196-E198 PolarHBondContact O-N 3.38Å; P196-E199 HydrophobicContact CB-CG 4.18Å; P196-E199 HydrophobicContact CG-CG 4.24Å; P196-E199 VanDerWaalsContact O-CB 3.29Å; P196-E199 WeakPolarHBondContact O-CB 3.29Å; P196-E199 PolarHBondContact O-N 3.47Å
197E85.9Confident89.2Confident104 Ų10459.4 Ų59.449%0.48631%0.307SS..Hα-helixtrans-56.2-36.9179.1-77-64.2149.800113.3E199 Y200 T201 R207E197-E199 PolarHBondContact O-N 3.33Å; E197-Y200 WeakPolarHBondContact O-CB 3.31Å; E197-Y200 PolarHBondContact O-N 3.49Å; E197-T201 PolarHBondContact O-N 2.84Å; E197-R207 VanDerWaalsContact CD-NH2 3.29Å; E197-R207 IonicContact OE1-CZ 3.59Å; E197-R207 IonicContact OE1-NH1 3.12Å; E197-R207 PolarHBondContact OE1-NH1 3.03Å; E197-R207 IonicContact OE1-NH2 3.26Å; E197-R207 PolarHBondContact OE1-NH2 2.92Å; E197-R207 VanDerWaalsContact OE1-NH2 3.14Å; E197-R207 IonicContact OE2-CZ 2.65Å; E197-R207 IonicContact OE2-NH1 3.24Å; E197-R207 IonicContact OE2-NH2 2.78Å; E197-R207 PolarHBondContact OE2-NH2 2.75Å
198E86.3Confident89.2Confident161 Ų16155.5 Ų55.575%0.75229%0.286SS*.Hα-helixtrans-61.3-27176.9-62.2176.2-171.400112.7P196 T201 R202P196-E198 PolarHBondContact O-N 3.38Å; E198-T201 WeakPolarHBondContact O-CB 3.49Å; E198-T201 PolarHBondContact O-N 3.47Å; E198-R202 VanDerWaalsContact O-CB 3.26Å; E198-R202 WeakPolarHBondContact O-CB 3.36Å; E198-R202 PolarHBondContact O-N 2.97Å
199E88.8Confident89.2Confident19 Ų1957.6 Ų57.69%0.08929%0.294CS..Hα-helixtrans-74.8-32.9179.8-69.9-70.5170.100112.3F125 L195 P196 E197 T201 R202 Q203F125-E199 HydrophobicContact CB-CB 4.49Å; F125-E199 HydrophobicContact CB-CG 3.83Å; L195-E199 HydrophobicContact CD1-CB 3.53Å; L195-E199 HydrophobicContact CD1-CG 4.03Å; L195-E199 HydrophobicContact CG-CB 4.07Å; P196-E199 HydrophobicContact CB-CG 4.18Å; P196-E199 HydrophobicContact CG-CG 4.24Å; P196-E199 VanDerWaalsContact O-CB 3.29Å; P196-E199 WeakPolarHBondContact O-CB 3.29Å; P196-E199 PolarHBondContact O-N 3.47Å; E197-E199 PolarHBondContact O-N 3.33Å; E199-T201 VanDerWaalsContact C-N 3.29Å; E199-T201 PolarHBondContact O-N 3.48Å; E199-R202 VanDerWaalsContact CD-NE 3.32Å; E199-R202 PolarHBondContact O-N 2.81Å; E199-R202 IonicContact OE1-CZ 3.17Å; E199-R202 IonicContact OE1-NE 2.62Å; E199-R202 PolarHBondContact OE1-NE 2.81Å; E199-R202 IonicContact OE1-NH2 3.67Å; E199-R202 PolarHBondContact OE1-NH2 2.86Å; E199-R202 IonicContact OE2-CZ 2.8Å; E199-R202 IonicContact OE2-NE 3.66Å; E199-R202 PolarHBondContact OE2-NE 3.01Å; E199-R202 IonicContact OE2-NH2 3.99Å; E199-R202 PolarHBondContact OE2-NH2 2.85Å; E199-Q203 VanDerWaalsContact O-CB 3.31Å; E199-Q203 WeakPolarHBondContact O-CB 3.27Å; E199-Q203 WeakPolarHBondContact O-CG 2.98Å; E199-Q203 PolarHBondContact O-N 3.38Å; E199-Q203 PolarHBondContact OE2-NE2 3.04Å
200Y88.5Confident89.1Confident10 Ų1057.5 Ų57.54%0.03929%0.294CS..Hα-helixtrans-61-43.8171.4-71.4-87.6000110.8V189 S191 V192 L195 E197 N204 L205 R207V189-Y200 HydrophobicContact CG2-CD1 4.18Å; V189-Y200 HydrophobicContact CG2-CE1 3.93Å; S191-Y200 WeakPolarHBondContact CA-OH 3.13Å; V192-Y200 PolarHBondContact N-OH 2.83Å; L195-Y200 HydrophobicContact CB-CE2 4.03Å; L195-Y200 HydrophobicContact CD2-CD1 4.48Å; L195-Y200 HydrophobicContact CD2-CD2 4.21Å; L195-Y200 HydrophobicContact CD2-CE1 3.95Å; L195-Y200 HydrophobicContact CD2-CE2 3.68Å; L195-Y200 HydrophobicContact CG-CD2 4.23Å; L195-Y200 HydrophobicContact CG-CE2 3.72Å; E197-Y200 WeakPolarHBondContact O-CB 3.31Å; E197-Y200 PolarHBondContact O-N 3.49Å; Y200-N204 PolarHBondContact O-N 3.34Å; Y200-N204 VanDerWaalsContact O-N 3.13Å; Y200-L205 HydrophobicContact CD1-CB 3.81Å; Y200-L205 HydrophobicContact CD1-CD1 4.27Å; Y200-L205 PolarHBondContact O-N 3.3Å; Y200-R207 HydrophobicContact CD1-CG 4.25Å; Y200-R207 HydrophobicContact CE1-CG 4.24Å
201T85.8Confident88.9Confident48 Ų4859 Ų5929%0.29430%0.302SS..Hα-helixtrans-62.3-54173.7-59.30000111.8F167 N168 E197 E198 E199 Q203 N204F167-T201 HydrophobicContact CZ-CG2 4.5Å; N168-T201 VanDerWaalsContact ND2-CG2 3.31Å; N168-T201 WeakPolarHBondContact ND2-CG2 3.4Å; N168-T201 WeakPolarHBondContact OD1-CB 3.41Å; N168-T201 WeakPolarHBondContact OD1-CG2 3.49Å; N168-T201 PolarHBondContact OD1-OG1 3.35Å; E197-T201 PolarHBondContact O-N 2.84Å; E198-T201 WeakPolarHBondContact O-CB 3.49Å; E198-T201 PolarHBondContact O-N 3.47Å; E199-T201 VanDerWaalsContact C-N 3.29Å; E199-T201 PolarHBondContact O-N 3.48Å; T201-Q203 VanDerWaalsContact C-N 3.26Å; T201-Q203 PolarHBondContact O-N 3.19Å; T201-N204 PolarHBondContact O-N 3.37Å; T201-N204 VanDerWaalsContact O-N 3.1Å
202R87.3Confident88.5Confident160 Ų16061.3 Ų61.360%0.60432%0.316SS*.Hα-helixtrans-60.3-37.6-173.8-171.7179.17399.3-0.9112E198 E199E198-R202 VanDerWaalsContact O-CB 3.26Å; E198-R202 WeakPolarHBondContact O-CB 3.36Å; E198-R202 PolarHBondContact O-N 2.97Å; E199-R202 VanDerWaalsContact CD-NE 3.32Å; E199-R202 PolarHBondContact O-N 2.81Å; E199-R202 IonicContact OE1-CZ 3.17Å; E199-R202 IonicContact OE1-NE 2.62Å; E199-R202 PolarHBondContact OE1-NE 2.81Å; E199-R202 IonicContact OE1-NH2 3.67Å; E199-R202 PolarHBondContact OE1-NH2 2.86Å; E199-R202 IonicContact OE2-CZ 2.8Å; E199-R202 IonicContact OE2-NE 3.66Å; E199-R202 PolarHBondContact OE2-NE 3.01Å; E199-R202 IonicContact OE2-NH2 3.99Å; E199-R202 PolarHBondContact OE2-NH2 2.85Å
203Q88.3Confident88.2Confident60 Ų6065.8 Ų65.828%0.2834%0.339SS..THydrogen-bonded Turntrans-97.18.2-177.9-57.4-172.354.500112.8H124 E199 T201 L205H124-Q203 PolarHBondContact O-NE2 3.41Å; E199-Q203 VanDerWaalsContact O-CB 3.31Å; E199-Q203 WeakPolarHBondContact O-CB 3.27Å; E199-Q203 WeakPolarHBondContact O-CG 2.98Å; E199-Q203 PolarHBondContact O-N 3.38Å; E199-Q203 PolarHBondContact OE2-NE2 3.04Å; T201-Q203 VanDerWaalsContact C-N 3.26Å; T201-Q203 PolarHBondContact O-N 3.19Å; Q203-L205 VanDerWaalsContact C-N 3.25Å; Q203-L205 HydrophobicContact CB-CD1 4.01Å; Q203-L205 HydrophobicContact CB-CD2 4.38Å; Q203-L205 HydrophobicContact CB-CG 3.82Å; Q203-L205 PolarHBondContact O-N 2.91Å
204N88.2Confident88.3Confident100 Ų10061.5 Ų61.554%0.53532%0.322SS..THydrogen-bonded Turntrans53.839.5179.5-167.934.4000113.5Y200 T201Y200-N204 PolarHBondContact O-N 3.34Å; Y200-N204 VanDerWaalsContact O-N 3.13Å; T201-N204 PolarHBondContact O-N 3.37Å; T201-N204 VanDerWaalsContact O-N 3.1Å
205L89.7Confident88.7Confident18 Ų1862 Ų629%0.09431%0.307CS..  trans-88.6116-179.8-56.3176.3000109.5V123 M141 V189 L195 Y200 Q203V123-L205 HydrophobicContact CG2-CD1 4.3Å; M141-L205 HydrophobicContact CE-CD1 3.71Å; M141-L205 HydrophobicContact CE-CD2 3.75Å; M141-L205 HydrophobicContact CE-CG 4.31Å; M141-L205 HydrophobicContact SD-CD1 3.95Å; V189-L205 HydrophobicContact CG1-CB 4.48Å; V189-L205 HydrophobicContact CG1-CD2 4.33Å; V189-L205 HydrophobicContact CG2-CB 3.97Å; L195-L205 HydrophobicContact CD2-CD1 4.38Å; Y200-L205 HydrophobicContact CD1-CB 3.81Å; Y200-L205 HydrophobicContact CD1-CD1 4.27Å; Y200-L205 PolarHBondContact O-N 3.3Å; Q203-L205 VanDerWaalsContact C-N 3.25Å; Q203-L205 HydrophobicContact CB-CD1 4.01Å; Q203-L205 HydrophobicContact CB-CD2 4.38Å; Q203-L205 HydrophobicContact CB-CG 3.82Å; Q203-L205 PolarHBondContact O-N 2.91Å
206K91.1Very high88.9Confident70 Ų7063.2 Ų63.230%0.30431%0.313SS..  trans-92.6133.5-176.5-59.3177.4-172.9173.50110.5Y165 W188 V189Y165-K206 HydrophobicContact CD1-CB 3.91Å; Y165-K206 HydrophobicContact CD1-CD 4.29Å; Y165-K206 HydrophobicContact CD2-CD 4.44Å; Y165-K206 HydrophobicContact CE1-CB 4.25Å; Y165-K206 HydrophobicContact CE1-CD 4.35Å; Y165-K206 HydrophobicContact CE2-CD 4.49Å; Y165-K206 HydrophobicContact CG-CD 4.35Å; W188-K206 CarbonylContact C-O 3.57Å; W188-K206 VanDerWaalsContact CA-O 3.22Å; W188-K206 WeakPolarHBondContact CA-O 3.22Å; W188-K206 WeakPolarHBondContact CB-O 3.17Å; V189-K206 PolarHBondContact N-O 2.58Å
207R93.6Very high89.2Confident21 Ų2161 Ų618%0.07930%0.299CS..EExtended strand (participates in β ladder)trans-105.6144.7170-65.9-178.8-61.3-168.6-0.6109.4Y165 C166 V189 E197 Y200Y165-R207 WeakPolarHBondContact CA-O 3.41Å; C166-R207 HydrophobicContact CB-CB 4.49Å; C166-R207 PolarHBondContact N-O 3.2Å; V189-R207 HydrophobicContact CG2-CG 4.1Å; E197-R207 VanDerWaalsContact CD-NH2 3.29Å; E197-R207 IonicContact OE1-CZ 3.59Å; E197-R207 IonicContact OE1-NH1 3.12Å; E197-R207 PolarHBondContact OE1-NH1 3.03Å; E197-R207 IonicContact OE1-NH2 3.26Å; E197-R207 PolarHBondContact OE1-NH2 2.92Å; E197-R207 VanDerWaalsContact OE1-NH2 3.14Å; E197-R207 IonicContact OE2-CZ 2.65Å; E197-R207 IonicContact OE2-NH1 3.24Å; E197-R207 IonicContact OE2-NH2 2.78Å; E197-R207 PolarHBondContact OE2-NH2 2.75Å; Y200-R207 HydrophobicContact CD1-CG 4.25Å; Y200-R207 HydrophobicContact CE1-CG 4.24Å
208L95.3Very high89.5Confident0 Ų059.7 Ų59.70%030%0.295CS..EExtended strand (participates in β ladder)trans-103.6139.5-178.7-170.669.4000110.4L163 Y165 I174 L186 W188 I217 F223L163-L208 HydrophobicContact CB-CD1 4.35Å; Y165-L208 HydrophobicContact CD1-CD1 4.04Å; Y165-L208 HydrophobicContact CE1-CD1 3.96Å; I174-L208 HydrophobicContact CD1-CD1 4.27Å; I174-L208 HydrophobicContact CG1-CD1 4.4Å; L186-L208 HydrophobicContact CD1-CD2 4.2Å; W188-L208 HydrophobicContact CB-CB 3.68Å; W188-L208 HydrophobicContact CD2-CB 4.09Å; W188-L208 HydrophobicContact CD2-CD2 3.85Å; W188-L208 HydrophobicContact CE3-CD2 3.91Å; W188-L208 HydrophobicContact CG-CB 3.59Å; W188-L208 HydrophobicContact CG-CD2 4.27Å; W188-L208 HydrophobicContact CZ3-CD2 4.31Å; L208-I217 HydrophobicContact CB-CB 4.21Å; L208-I217 HydrophobicContact CD2-CB 4.3Å; L208-I217 HydrophobicContact CD2-CD1 3.63Å; L208-I217 HydrophobicContact CD2-CG2 4.33Å; L208-I217 HydrophobicContact CG-CB 4.37Å; L208-I217 HydrophobicContact CG-CD1 3.77Å; L208-I217 PolarHBondContact O-N 2.97Å; L208-F223 HydrophobicContact CD2-CD2 4Å; L208-F223 HydrophobicContact CD2-CE2 4.1Å
209W94.4Very high89.8Confident46 Ų4653.6 Ų53.617%0.17427%0.27CS..EExtended strand (participates in β ladder)trans-134.4151.6-176.1-73.368.1000111.2L163 Y164 C166 L171 N214 K215 Q216L163-W209 WeakPolarHBondContact CA-O 3.23Å; Y164-W209 PolarHBondContact N-O 2.74Å; Y164-W209 PolarHBondContact O-N 2.56Å; C166-W209 VanDerWaalsContact CB-CD1 3.41Å; C166-W209 HydrophobicContact CB-CG 4.32Å; L171-W209 HydrophobicContact CD2-CB 4.22Å; L171-W209 HydrophobicContact CD2-CG 4.2Å; W209-N214 HydrophobicContact CZ3-CB 4.5Å; W209-N214 WeakPolarHBondContact CZ3-O 3.3Å; W209-N214 WeakPolarHBondContact CZ3-OD1 3.41Å; W209-K215 CarbonylContact C-O 3.53Å; W209-K215 WeakPolarHBondContact CA-O 3.41Å; W209-Q216 HydrophobicContact CD2-CB 4.15Å; W209-Q216 HydrophobicContact CH2-CB 4.36Å; W209-Q216 HydrophobicContact CZ2-CB 3.95Å; W209-Q216 HydrophobicContact CZ2-CG 4.34Å
210V92.9Very high89.8Confident7 Ų753.5 Ų53.54%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-106.9134.7170.3-175.60000110.3K162 L163 N214 K215 I217 E226K162-V210 WeakPolarHBondContact O-CA 3.35Å; L163-V210 HydrophobicContact CD2-CG2 3.74Å; V210-N214 WeakPolarHBondContact O-CA 3.46Å; V210-N214 PolarHBondContact O-N 3.2Å; V210-K215 PolarHBondContact N-O 3.47Å; V210-K215 PolarHBondContact O-N 3.49Å; V210-I217 HydrophobicContact CG2-CD1 3.38Å; V210-I217 HydrophobicContact CG2-CG1 3.78Å; V210-E226 HydrophobicContact CG2-CB 3.96Å; V210-E226 HydrophobicContact CG2-CG 3.83Å
211V87.3Confident89.9Confident42 Ų4258.9 Ų58.926%0.25530%0.295SS..THydrogen-bonded Turntrans-120.2136.3178.2175.40000108.8K162 Y164 L171K162-V211 PolarHBondContact O-N 3.14Å; Y164-V211 HydrophobicContact CD2-CB 3.77Å; Y164-V211 HydrophobicContact CD2-CG2 3.4Å; Y164-V211 VanDerWaalsContact CD2-CG2 3.4Å; Y164-V211 HydrophobicContact CE2-CB 3.68Å; Y164-V211 HydrophobicContact CE2-CG1 4.22Å; Y164-V211 HydrophobicContact CE2-CG2 3.77Å; Y164-V211 HydrophobicContact CG-CG2 4Å; L171-V211 HydrophobicContact CD1-CG2 4.26Å
212P82.4Confident90.2Very high101 Ų10157.6 Ų57.666%0.65629%0.287SS*.THydrogen-bonded Turncis-89.8-6.816.836.1-36.8000116.5N214P212-N214 PolarHBondContact O-N 3.22Å
213D83.3Confident90.4Very high110 Ų11050 Ų5059%0.58826%0.258SS*.THydrogen-bonded Turntrans-66.3-8.2-172.8-64.2-17.2000114K215D213-K215 HydrophobicContact CB-CB 4.36Å; D213-K215 PolarHBondContact O-N 2.64Å
214N86.6Confident90.6Very high98 Ų9847.7 Ų47.752%0.52425%0.248SC..THydrogen-bonded Turntrans48.145.8-178.7-158.643.2000111.1W209 V210 P212W209-N214 HydrophobicContact CZ3-CB 4.5Å; W209-N214 WeakPolarHBondContact CZ3-O 3.3Å; W209-N214 WeakPolarHBondContact CZ3-OD1 3.41Å; V210-N214 WeakPolarHBondContact O-CA 3.46Å; V210-N214 PolarHBondContact O-N 3.2Å; P212-N214 PolarHBondContact O-N 3.22Å
215K90.9Very high90.7Very high67 Ų6746.3 Ų46.329%0.29124%0.239SC..EExtended strand (participates in β ladder)trans-103.9123.5-176.1-176.4-179.5174.9-169.10109.1W209 V210 D213 V222 E226W209-K215 CarbonylContact C-O 3.53Å; W209-K215 WeakPolarHBondContact CA-O 3.41Å; V210-K215 PolarHBondContact N-O 3.47Å; V210-K215 PolarHBondContact O-N 3.49Å; D213-K215 HydrophobicContact CB-CB 4.36Å; D213-K215 PolarHBondContact O-N 2.64Å; K215-V222 HydrophobicContact CD-CG1 4.38Å; K215-E226 IonicContact NZ-OE1 2.69Å; K215-E226 PolarHBondContact NZ-OE1 2.84Å
216Q92.6Very high90.9Very high39 Ų3945.8 Ų45.818%0.18224%0.236CC..EExtended strand (participates in β ladder)trans-71.4136.5172.2-171.3-174.5-10.700110.5S191 W209 N218S191-Q216 VanDerWaalsContact OG-CD 3.26Å; S191-Q216 PolarHBondContact OG-NE2 2.87Å; S191-Q216 PolarHBondContact OG-OE1 2.79Å; W209-Q216 HydrophobicContact CD2-CB 4.15Å; W209-Q216 HydrophobicContact CH2-CB 4.36Å; W209-Q216 HydrophobicContact CZ2-CB 3.95Å; W209-Q216 HydrophobicContact CZ2-CG 4.34Å; Q216-N218 PolarHBondContact O-N 2.94Å
217I94.2Very high91Very high1 Ų142.6 Ų42.61%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-91.298169.3-63.2164.9000107.9L163 W188 L208 V210 V222 F223L163-I217 HydrophobicContact CD2-CD1 3.77Å; W188-I217 HydrophobicContact CZ2-CG2 4.01Å; W188-I217 PolarHBondContact NE1-O 3.45Å; W188-I217 VanDerWaalsContact NE1-O 3.15Å; L208-I217 HydrophobicContact CB-CB 4.21Å; L208-I217 HydrophobicContact CD2-CB 4.3Å; L208-I217 HydrophobicContact CD2-CD1 3.63Å; L208-I217 HydrophobicContact CD2-CG2 4.33Å; L208-I217 HydrophobicContact CG-CB 4.37Å; L208-I217 HydrophobicContact CG-CD1 3.77Å; L208-I217 PolarHBondContact O-N 2.97Å; V210-I217 HydrophobicContact CG2-CD1 3.38Å; V210-I217 HydrophobicContact CG2-CG1 3.78Å; I217-V222 HydrophobicContact CB-CG1 4.48Å; I217-V222 HydrophobicContact CG1-CG1 4.19Å; I217-F223 HydrophobicContact CD1-CD2 4.19Å; I217-F223 HydrophobicContact CG2-CB 3.56Å; I217-F223 HydrophobicContact CG2-CD2 4.11Å; I217-F223 HydrophobicContact CG2-CG 4.33Å
218N93Very high90.9Very high75 Ų7543 Ų4340%0.40123%0.226SC..  trans-1070.2-177.465.6-8.3000113.9F144 Q216F144-N218 WeakPolarHBondContact CE2-O 3.49Å; F144-N218 WeakPolarHBondContact CZ-O 3.31Å; Q216-N218 PolarHBondContact O-N 2.94Å
219S91.5Very high90.8Very high33 Ų3348.4 Ų48.423%0.23125%0.249CC..SBendtrans-153.8164.2177.868.90000110.9Q221 V222 F223S219-Q221 VanDerWaalsContact C-N 3.31Å; S219-Q221 PolarHBondContact O-N 3.48Å; S219-V222 PolarHBondContact O-N 2.8Å; S219-V222 PolarHBondContact OG-N 3.47Å; S219-F223 PolarHBondContact O-N 2.89Å; S219-F223 VanDerWaalsContact O-N 3.08Å
220F89.3Confident90.7Very high17 Ų1747.6 Ų47.68%0.07525%0.248CC..Hα-helixtrans-62-37.3171.8-73.9-26.9000113.3L116 D117 Q118 F144 W188 V222 F223 V224 N251L116-F220 HydrophobicContact CB-CD1 4.31Å; L116-F220 HydrophobicContact CB-CD2 4.38Å; L116-F220 HydrophobicContact CB-CE1 3.87Å; L116-F220 HydrophobicContact CB-CE2 3.93Å; L116-F220 HydrophobicContact CB-CZ 3.67Å; L116-F220 HydrophobicContact CD1-CB 4.42Å; L116-F220 HydrophobicContact CD1-CD1 4.12Å; L116-F220 HydrophobicContact CD1-CE1 4.48Å; L116-F220 HydrophobicContact CD1-CG 4.18Å; L116-F220 HydrophobicContact CD2-CD1 4.18Å; L116-F220 HydrophobicContact CD2-CE1 3.97Å; L116-F220 HydrophobicContact CG-CD1 4.44Å; L116-F220 HydrophobicContact CG-CE1 4.32Å; D117-F220 VanDerWaalsContact C-CZ 3.46Å; D117-F220 WeakPolarHBondContact O-CZ 3.39Å; Q118-F220 HydrophobicContact CB-CD2 4.34Å; Q118-F220 HydrophobicContact CB-CE2 3.41Å; Q118-F220 VanDerWaalsContact CB-CE2 3.41Å; Q118-F220 HydrophobicContact CB-CZ 3.66Å; Q118-F220 HydrophobicContact CG-CE2 4.48Å; F144-F220 HydrophobicContact CB-CD1 4.41Å; F144-F220 HydrophobicContact CB-CE1 3.75Å; F144-F220 HydrophobicContact CB-CZ 4.41Å; F144-F220 AromaticContact CD1-CD1 3.76Å; F144-F220 HydrophobicContact CD1-CD1 3.76Å; F144-F220 AromaticContact CD1-CE1 3.53Å; F144-F220 HydrophobicContact CD1-CE1 3.53Å; F144-F220 HydrophobicContact CD1-CE2 4.36Å; F144-F220 HydrophobicContact CD1-CG 4.27Å; F144-F220 AromaticContact CD1-CZ 3.85Å; F144-F220 HydrophobicContact CD1-CZ 3.85Å; F144-F220 HydrophobicContact CE1-CD1 4.45Å; F144-F220 HydrophobicContact CG-CD1 4.35Å; F144-F220 HydrophobicContact CG-CE1 4.02Å; W188-F220 HydrophobicContact CH2-CD1 4.31Å; W188-F220 HydrophobicContact CH2-CE1 4.16Å; W188-F220 HydrophobicContact CZ2-CD1 4.16Å; W188-F220 HydrophobicContact CZ2-CE1 4.29Å; F220-V222 VanDerWaalsContact C-N 3.3Å; F220-V222 PolarHBondContact O-N 3.08Å; F220-F223 WeakPolarHBondContact O-CB 3.26Å; F220-F223 PolarHBondContact O-N 3.41Å; F220-V224 WeakPolarHBondContact O-CB 3.36Å; F220-V224 WeakPolarHBondContact O-CG2 3.29Å; F220-V224 PolarHBondContact O-N 3.36Å; F220-N251 HydrophobicContact CB-CB 4.32Å
221Q89.3Confident90.7Very high123 Ų12347.2 Ų47.258%0.57525%0.246SC*.Hα-helixtrans-57.8-48178.6-179.1179.5-9.100110.9S219 F223 V224 E225S219-Q221 VanDerWaalsContact C-N 3.31Å; S219-Q221 PolarHBondContact O-N 3.48Å; Q221-F223 PolarHBondContact O-N 2.84Å; Q221-V224 PolarHBondContact O-N 2.81Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.11Å; Q221-E225 PolarHBondContact NE2-OE1 2.87Å; Q221-E225 WeakPolarHBondContact O-CB 3.42Å; Q221-E225 VanDerWaalsContact O-CG 3.3Å; Q221-E225 WeakPolarHBondContact O-CG 3.11Å; Q221-E225 PolarHBondContact O-N 3.45Å
222V92.4Very high90.9Very high22 Ų2250.8 Ų50.813%0.13326%0.261CS..Hα-helixtrans-63.6-43.5178176.40000111K215 I217 S219 F220 V224 E225 E226K215-V222 HydrophobicContact CD-CG1 4.38Å; I217-V222 HydrophobicContact CB-CG1 4.48Å; I217-V222 HydrophobicContact CG1-CG1 4.19Å; S219-V222 PolarHBondContact O-N 2.8Å; S219-V222 PolarHBondContact OG-N 3.47Å; F220-V222 VanDerWaalsContact C-N 3.3Å; F220-V222 PolarHBondContact O-N 3.08Å; V222-V224 PolarHBondContact O-N 2.88Å; V222-E225 PolarHBondContact O-N 3.29Å; V222-E226 WeakPolarHBondContact O-CG 3.41Å; V222-E226 PolarHBondContact O-N 3.22Å; V222-E226 VanDerWaalsContact O-N 3.14Å
223F93.3Very high91.3Very high0 Ų049.3 Ų49.30%026%0.264CS..Hα-helixtrans-57.1-50.9177.1179.3-102.2000111.7I114 L116 A146 I148 L163 L186 W188 L208 I217 S219 F220 Q221 E226 V227I114-F223 HydrophobicContact CG2-CE1 4.12Å; L116-F223 HydrophobicContact CD1-CD1 4.31Å; L116-F223 HydrophobicContact CD2-CD1 3.84Å; L116-F223 HydrophobicContact CD2-CE1 3.71Å; A146-F223 HydrophobicContact CB-CE1 3.85Å; A146-F223 HydrophobicContact CB-CE2 4.4Å; A146-F223 HydrophobicContact CB-CZ 3.67Å; I148-F223 HydrophobicContact CD1-CZ 4.09Å; L163-F223 HydrophobicContact CD1-CE2 4.38Å; L186-F223 HydrophobicContact CD1-CE2 3.78Å; L186-F223 HydrophobicContact CD1-CZ 4.15Å; W188-F223 HydrophobicContact CH2-CB 4.36Å; W188-F223 HydrophobicContact CH2-CD1 4.29Å; W188-F223 AromaticContact CH2-CD2 3.81Å; W188-F223 HydrophobicContact CH2-CD2 3.81Å; W188-F223 HydrophobicContact CH2-CE2 4.16Å; W188-F223 AromaticContact CH2-CG 3.88Å; W188-F223 HydrophobicContact CH2-CG 3.88Å; W188-F223 HydrophobicContact CZ2-CB 4.02Å; W188-F223 HydrophobicContact CZ2-CD2 4.04Å; W188-F223 HydrophobicContact CZ2-CG 4.02Å; W188-F223 HydrophobicContact CZ3-CD2 4.49Å; W188-F223 HydrophobicContact CZ3-CE2 4.49Å; L208-F223 HydrophobicContact CD2-CD2 4Å; L208-F223 HydrophobicContact CD2-CE2 4.1Å; I217-F223 HydrophobicContact CD1-CD2 4.19Å; I217-F223 HydrophobicContact CG2-CB 3.56Å; I217-F223 HydrophobicContact CG2-CD2 4.11Å; I217-F223 HydrophobicContact CG2-CG 4.33Å; S219-F223 PolarHBondContact O-N 2.89Å; S219-F223 VanDerWaalsContact O-N 3.08Å; F220-F223 WeakPolarHBondContact O-CB 3.26Å; F220-F223 PolarHBondContact O-N 3.41Å; Q221-F223 PolarHBondContact O-N 2.84Å; F223-E226 PolarHBondContact O-N 3.2Å; F223-V227 HydrophobicContact CD1-CG2 4.23Å; F223-V227 HydrophobicContact CD2-CG2 4.24Å; F223-V227 HydrophobicContact CE1-CG2 3.8Å; F223-V227 HydrophobicContact CE2-CG2 3.82Å; F223-V227 HydrophobicContact CG-CG2 4.43Å; F223-V227 HydrophobicContact CZ-CG2 3.59Å; F223-V227 VanDerWaalsContact O-CG2 3.32Å; F223-V227 WeakPolarHBondContact O-CG2 3.36Å; F223-V227 PolarHBondContact O-N 3.41Å
224V90.7Very high91.6Very high11 Ų1146 Ų467%0.06725%0.246CC..Hα-helixtrans-63.2-44.9-177.3171.20000111L116 F220 Q221 V222 E226 V227 L228 I254L116-V224 HydrophobicContact CD1-CG2 3.64Å; F220-V224 WeakPolarHBondContact O-CB 3.36Å; F220-V224 WeakPolarHBondContact O-CG2 3.29Å; F220-V224 PolarHBondContact O-N 3.36Å; Q221-V224 PolarHBondContact O-N 2.81Å; V222-V224 PolarHBondContact O-N 2.88Å; V224-E226 VanDerWaalsContact C-N 3.35Å; V224-E226 PolarHBondContact O-N 3.35Å; V224-V227 PolarHBondContact O-N 2.85Å; V224-L228 HydrophobicContact CG1-CD1 3.68Å; V224-L228 HydrophobicContact CG1-CG 4.11Å; V224-L228 VanDerWaalsContact O-CB 3.28Å; V224-L228 WeakPolarHBondContact O-CB 3.42Å; V224-L228 WeakPolarHBondContact O-CG 3.42Å; V224-L228 PolarHBondContact O-N 3.39Å; V224-I254 HydrophobicContact CB-CD1 4.04Å; V224-I254 HydrophobicContact CG1-CD1 3.58Å; V224-I254 HydrophobicContact CG2-CD1 3.34Å
225E91.1Very high91.8Very high72 Ų7242.6 Ų42.634%0.33624%0.235SC..Hα-helixtrans-56.7-46.9176.2-76172.8-16900112Q221 V222 K229Q221-E225 WeakPolarHBondContact CG-OE1 3.11Å; Q221-E225 PolarHBondContact NE2-OE1 2.87Å; Q221-E225 WeakPolarHBondContact O-CB 3.42Å; Q221-E225 VanDerWaalsContact O-CG 3.3Å; Q221-E225 WeakPolarHBondContact O-CG 3.11Å; Q221-E225 PolarHBondContact O-N 3.45Å; V222-E225 PolarHBondContact O-N 3.29Å; E225-K229 VanDerWaalsContact O-CG 3.26Å; E225-K229 WeakPolarHBondContact O-CG 3.26Å; E225-K229 PolarHBondContact O-N 3.06Å
226E93.4Very high91.8Very high7 Ų739.7 Ų39.73%0.03322%0.222CC..Hα-helixtrans-70.8-40.5-178.4-60.1-51.7146.400112.3V210 K215 V222 F223 V224 K229 I230V210-E226 HydrophobicContact CG2-CB 3.96Å; V210-E226 HydrophobicContact CG2-CG 3.83Å; K215-E226 IonicContact NZ-OE1 2.69Å; K215-E226 PolarHBondContact NZ-OE1 2.84Å; V222-E226 WeakPolarHBondContact O-CG 3.41Å; V222-E226 PolarHBondContact O-N 3.22Å; V222-E226 VanDerWaalsContact O-N 3.14Å; F223-E226 PolarHBondContact O-N 3.2Å; V224-E226 VanDerWaalsContact C-N 3.35Å; V224-E226 PolarHBondContact O-N 3.35Å; E226-K229 VanDerWaalsContact CD-NZ 3.33Å; E226-K229 PolarHBondContact O-N 3.47Å; E226-K229 IonicContact OE1-NZ 3.46Å; E226-K229 PolarHBondContact OE1-NZ 3.29Å; E226-K229 WeakPolarHBondContact OE2-CD 3.42Å; E226-K229 IonicContact OE2-NZ 3.93Å; E226-K229 PolarHBondContact OE2-NZ 2.93Å; E226-I230 VanDerWaalsContact O-CG1 3.32Å; E226-I230 WeakPolarHBondContact O-CG1 3.31Å; E226-I230 PolarHBondContact O-N 2.93Å; E226-I230 VanDerWaalsContact O-N 3.12Å
227V92.9Very high91.7Very high3 Ų340.8 Ų40.82%0.01823%0.233CC..Hα-helixtrans-64.7-42.1175.7177.30000111.2I114 L159 F223 V224 I230 A231I114-V227 HydrophobicContact CD1-CB 4.49Å; I114-V227 HydrophobicContact CD1-CG1 3.55Å; L159-V227 HydrophobicContact CD1-CG2 4.17Å; F223-V227 HydrophobicContact CD1-CG2 4.23Å; F223-V227 HydrophobicContact CD2-CG2 4.24Å; F223-V227 HydrophobicContact CE1-CG2 3.8Å; F223-V227 HydrophobicContact CE2-CG2 3.82Å; F223-V227 HydrophobicContact CG-CG2 4.43Å; F223-V227 HydrophobicContact CZ-CG2 3.59Å; F223-V227 VanDerWaalsContact O-CG2 3.32Å; F223-V227 WeakPolarHBondContact O-CG2 3.36Å; F223-V227 PolarHBondContact O-N 3.41Å; V224-V227 PolarHBondContact O-N 2.85Å; V227-I230 PolarHBondContact O-N 3.3Å; V227-A231 VanDerWaalsContact O-CB 3.28Å; V227-A231 WeakPolarHBondContact O-CB 3.26Å; V227-A231 PolarHBondContact O-N 3.34Å
228L91.9Very high91.4Very high30 Ų3044.5 Ų44.516%0.15725%0.252CS..Hα-helixtrans-62-43.5176.6-74176.5000111.6V224 I230 A231 M232 I254 L256V224-L228 HydrophobicContact CG1-CD1 3.68Å; V224-L228 HydrophobicContact CG1-CG 4.11Å; V224-L228 VanDerWaalsContact O-CB 3.28Å; V224-L228 WeakPolarHBondContact O-CB 3.42Å; V224-L228 WeakPolarHBondContact O-CG 3.42Å; V224-L228 PolarHBondContact O-N 3.39Å; L228-I230 VanDerWaalsContact C-N 3.34Å; L228-I230 PolarHBondContact O-N 2.81Å; L228-A231 PolarHBondContact O-N 3.22Å; L228-M232 VanDerWaalsContact O-CB 3.28Å; L228-M232 WeakPolarHBondContact O-CB 3.25Å; L228-M232 WeakPolarHBondContact O-CG 3.44Å; L228-M232 PolarHBondContact O-N 2.95Å; L228-I254 HydrophobicContact CD2-CG2 4.44Å; L228-L256 HydrophobicContact CD2-CD1 3.87Å; L228-L256 HydrophobicContact CD2-CD2 3.7Å; L228-L256 HydrophobicContact CD2-CG 4.36Å
229K92.6Very high90.8Very high113 Ų11341.9 Ų41.949%0.49124%0.239SC..Hα-helixtrans-57-47.4175.2-73.5170-167.1171.20111.8E225 E226 G233E225-K229 VanDerWaalsContact O-CG 3.26Å; E225-K229 WeakPolarHBondContact O-CG 3.26Å; E225-K229 PolarHBondContact O-N 3.06Å; E226-K229 VanDerWaalsContact CD-NZ 3.33Å; E226-K229 PolarHBondContact O-N 3.47Å; E226-K229 IonicContact OE1-NZ 3.46Å; E226-K229 PolarHBondContact OE1-NZ 3.29Å; E226-K229 WeakPolarHBondContact OE2-CD 3.42Å; E226-K229 IonicContact OE2-NZ 3.93Å; E226-K229 PolarHBondContact OE2-NZ 2.93Å; K229-G233 PolarHBondContact O-N 3.1Å
230I93.3Very high89.6Confident28 Ų2846.2 Ų46.214%0.14427%0.269CS..Hα-helixtrans-65.3-47.4-179.9-62.5165.3000110.2F155 L158 L159 K162 E226 V227 L228 G233 D234F155-I230 HydrophobicContact CE2-CG2 4.05Å; L158-I230 HydrophobicContact CD2-CG2 4.03Å; L158-I230 HydrophobicContact CG-CG2 4.09Å; L159-I230 HydrophobicContact CD1-CD1 3.73Å; K162-I230 HydrophobicContact CB-CD1 3.8Å; K162-I230 HydrophobicContact CG-CD1 4.06Å; E226-I230 VanDerWaalsContact O-CG1 3.32Å; E226-I230 WeakPolarHBondContact O-CG1 3.31Å; E226-I230 PolarHBondContact O-N 2.93Å; E226-I230 VanDerWaalsContact O-N 3.12Å; V227-I230 PolarHBondContact O-N 3.3Å; L228-I230 VanDerWaalsContact C-N 3.34Å; L228-I230 PolarHBondContact O-N 2.81Å; I230-G233 PolarHBondContact O-N 3.13Å; I230-D234 PolarHBondContact O-N 3.33Å
231A93Very high88.6Confident0 Ų049.2 Ų49.20%029%0.292CS..Hα-helixtrans-64.3-44.1-178.400000112.6L112 F155 V227 L228 G233 D234 G235 F236 L256L112-A231 HydrophobicContact CD2-CB 4.22Å; F155-A231 HydrophobicContact CE2-CB 3.81Å; F155-A231 HydrophobicContact CZ-CB 3.77Å; V227-A231 VanDerWaalsContact O-CB 3.28Å; V227-A231 WeakPolarHBondContact O-CB 3.26Å; V227-A231 PolarHBondContact O-N 3.34Å; L228-A231 PolarHBondContact O-N 3.22Å; A231-G233 VanDerWaalsContact C-N 3.33Å; A231-G233 PolarHBondContact O-N 2.82Å; A231-D234 CarbonylContact O-C 3.57Å; A231-D234 WeakPolarHBondContact O-CA 3.44Å; A231-D234 PolarHBondContact O-N 2.85Å; A231-D234 VanDerWaalsContact O-N 3.09Å; A231-G235 PolarHBondContact O-N 2.82Å; A231-G235 VanDerWaalsContact O-N 3.08Å; A231-F236 HydrophobicContact CB-CB 3.99Å; A231-F236 HydrophobicContact CB-CD2 4.33Å; A231-F236 HydrophobicContact CB-CG 4.36Å; A231-F236 WeakPolarHBondContact O-CB 3.29Å; A231-F236 PolarHBondContact O-N 3.13Å; A231-L256 HydrophobicContact CB-CD1 3.39Å
232M91.3Very high87Confident117 Ų11748.1 Ų48.158%0.57629%0.287SS*.Hα-helixtrans-65.1-37.7176-67.9176.976.400111.8L228 D234 G235 F236L228-M232 VanDerWaalsContact O-CB 3.28Å; L228-M232 WeakPolarHBondContact O-CB 3.25Å; L228-M232 WeakPolarHBondContact O-CG 3.44Å; L228-M232 PolarHBondContact O-N 2.95Å; M232-D234 PolarHBondContact O-N 2.61Å; M232-G235 PolarHBondContact O-N 2.92Å; M232-F236 WeakPolarHBondContact CA-O 3.41Å
233G90.2Very high85.4Confident70 Ų7048.7 Ų48.772%0.72229%0.29SS*.Hα-helixtrans-60.8-33.3171.200000113.2K229 I230 A231 G235K229-G233 PolarHBondContact O-N 3.1Å; I230-G233 PolarHBondContact O-N 3.13Å; A231-G233 VanDerWaalsContact C-N 3.33Å; A231-G233 PolarHBondContact O-N 2.82Å; G233-G235 VanDerWaalsContact C-N 3.27Å
234D90.4Very high83.6Confident40 Ų4056 Ų5621%0.21433%0.325CS..THydrogen-bonded Turntrans-83.5-2.5175.8-158.440.4000113.2F155 L158 I230 A231 M232 F236 R258 K260F155-D234 HydrophobicContact CD2-CB 4.07Å; F155-D234 WeakPolarHBondContact CD2-OD2 3.46Å; F155-D234 HydrophobicContact CE2-CB 4.47Å; L158-D234 HydrophobicContact CD2-CB 4.18Å; I230-D234 PolarHBondContact O-N 3.33Å; A231-D234 CarbonylContact O-C 3.57Å; A231-D234 WeakPolarHBondContact O-CA 3.44Å; A231-D234 PolarHBondContact O-N 2.85Å; A231-D234 VanDerWaalsContact O-N 3.09Å; M232-D234 PolarHBondContact O-N 2.61Å; D234-F236 HydrophobicContact CB-CD2 4.36Å; D234-R258 VanDerWaalsContact O-CD 3.27Å; D234-R258 WeakPolarHBondContact O-CD 3.44Å; D234-R258 PolarHBondContact O-NH1 2.79Å; D234-R258 IonicContact OD1-NH1 3.69Å; D234-R258 PolarHBondContact OD1-NH1 2.96Å; D234-R258 IonicContact OD2-CZ 3.38Å; D234-R258 IonicContact OD2-NH1 3.14Å; D234-R258 PolarHBondContact OD2-NH1 2.92Å; D234-R258 IonicContact OD2-NH2 2.74Å; D234-K260 PolarHBondContact O-NZ 3.21Å; D234-K260 VanDerWaalsContact O-NZ 3.11Å
235G89.7Confident81.8Confident27 Ų2761.2 Ų61.228%0.27836%0.356SS..THydrogen-bonded Turntrans92.711.8174.800000115.5A231 M232 G233 R258A231-G235 PolarHBondContact O-N 2.82Å; A231-G235 VanDerWaalsContact O-N 3.08Å; M232-G235 PolarHBondContact O-N 2.92Å; G233-G235 VanDerWaalsContact C-N 3.27Å; G235-R258 WeakPolarHBondContact O-CG 3.48Å
236F92.4Very high80Confident5 Ų560.7 Ų60.72%0.02236%0.361CS..  trans-70.8148.3166.7-73.3-96000110.8A110 L112 F155 A231 M232 D234 L256 I257 R258A110-F236 HydrophobicContact CB-CE1 3.77Å; A110-F236 HydrophobicContact CB-CZ 3.57Å; L112-F236 HydrophobicContact CB-CD1 4.09Å; L112-F236 HydrophobicContact CB-CE1 3.79Å; L112-F236 HydrophobicContact CB-CZ 4.41Å; F155-F236 HydrophobicContact CB-CE2 3.93Å; F155-F236 HydrophobicContact CB-CZ 4.27Å; F155-F236 HydrophobicContact CD1-CE2 4.3Å; F155-F236 HydrophobicContact CD1-CZ 4.46Å; F155-F236 HydrophobicContact CD2-CD2 4.17Å; F155-F236 AromaticContact CD2-CE2 3.72Å; F155-F236 HydrophobicContact CD2-CE2 3.72Å; F155-F236 HydrophobicContact CE2-CD2 4.45Å; F155-F236 HydrophobicContact CE2-CE2 4.38Å; F155-F236 HydrophobicContact CG-CD2 4.5Å; F155-F236 AromaticContact CG-CE2 3.67Å; F155-F236 HydrophobicContact CG-CE2 3.67Å; F155-F236 HydrophobicContact CG-CZ 4.17Å; A231-F236 HydrophobicContact CB-CB 3.99Å; A231-F236 HydrophobicContact CB-CD2 4.33Å; A231-F236 HydrophobicContact CB-CG 4.36Å; A231-F236 WeakPolarHBondContact O-CB 3.29Å; A231-F236 PolarHBondContact O-N 3.13Å; M232-F236 WeakPolarHBondContact CA-O 3.41Å; D234-F236 HydrophobicContact CB-CD2 4.36Å; F236-L256 HydrophobicContact CB-CB 3.96Å; F236-L256 HydrophobicContact CB-CD1 4.17Å; F236-L256 HydrophobicContact CD1-CB 3.93Å; F236-L256 HydrophobicContact CG-CB 4.34Å; F236-I257 CarbonylContact C-O 3.52Å; F236-I257 WeakPolarHBondContact CA-O 3.49Å; F236-R258 HydrophobicContact CD1-CB 3.81Å; F236-R258 HydrophobicContact CD2-CB 4.3Å; F236-R258 HydrophobicContact CE1-CB 4.02Å; F236-R258 HydrophobicContact CE2-CB 4.48Å; F236-R258 HydrophobicContact CG-CB 3.97Å; F236-R258 HydrophobicContact CZ-CB 4.35Å
237C90.3Very high78.2Confident63 Ų6363.2 Ų63.243%0.42637%0.374SS..EExtended strand (participates in β ladder)trans-125.8159.7169.860.70000110.2D239 L256 I257C237-D239 PolarHBondContact O-N 3.26Å; C237-L256 CarbonylContact O-C 3.56Å; C237-L256 WeakPolarHBondContact O-CA 3.47Å; C237-L256 WeakPolarHBondContact O-CB 3.3Å; C237-I257 PolarHBondContact N-O 3.36Å; C237-I257 PolarHBondContact O-N 3.43Å; C237-I257 PolarHBondContact SG-O 2.91Å
238I86.8Confident76.2Confident78 Ų7866.4 Ų66.440%0.439%0.388SS..EExtended strand (participates in β ladder)trans-64.2130176.9-62.7172.3000108.7S240 F248 L256I238-S240 PolarHBondContact O-N 2.89Å; I238-F248 HydrophobicContact CD1-CE2 4.45Å; I238-F248 HydrophobicContact CD1-CZ 4.17Å; I238-F248 HydrophobicContact CG2-CE2 4.48Å; I238-L256 HydrophobicContact CB-CD2 4.23Å; I238-L256 HydrophobicContact CG1-CD2 3.74Å
239D81Confident74.2Confident21 Ų2172.4 Ų72.411%0.11242%0.417CS..  trans-69.6102.3171.5-175-3.8000109.1C237 S241 H242 R255 I257C237-D239 PolarHBondContact O-N 3.26Å; D239-S241 VanDerWaalsContact CG-OG 3.31Å; D239-S241 PolarHBondContact O-N 2.99Å; D239-S241 VanDerWaalsContact OD1-CB 3.27Å; D239-S241 WeakPolarHBondContact OD1-CB 3.43Å; D239-S241 PolarHBondContact OD1-N 3.22Å; D239-S241 PolarHBondContact OD1-OG 3.12Å; D239-S241 PolarHBondContact OD2-OG 3.4Å; D239-H242 CarbonylContact O-C 3.52Å; D239-R255 HydrophobicContact CB-CB 4.02Å; D239-R255 PolarHBondContact N-O 2.83Å; D239-I257 HydrophobicContact CB-CD1 3.94Å; D239-I257 HydrophobicContact CB-CG1 4.35Å; D239-I257 HydrophobicContact CB-CG2 4.15Å
240S66.6Low72.5Confident124 Ų12473.5 Ų73.587%0.86742%0.422SS*.THydrogen-bonded Turntrans-74-7.6178.958.20000113.2I238I238-S240 PolarHBondContact O-N 2.89Å
241S67Low71Confident80 Ų8074.4 Ų74.456%0.55943%0.427SS*.THydrogen-bonded Turntrans-83.4-25.217877.60000112.6D239D239-S241 VanDerWaalsContact CG-OG 3.31Å; D239-S241 PolarHBondContact O-N 2.99Å; D239-S241 VanDerWaalsContact OD1-CB 3.27Å; D239-S241 WeakPolarHBondContact OD1-CB 3.43Å; D239-S241 PolarHBondContact OD1-N 3.22Å; D239-S241 PolarHBondContact OD1-OG 3.12Å; D239-S241 PolarHBondContact OD2-OG 3.4Å
242H56.9Low70Confident100 Ų10080.1 Ų80.146%0.46345%0.452SS..SBendtrans-157.6134.9-178.2-66.981.7000109.7D239D239-H242 CarbonylContact O-C 3.52Å
243P58.8Low69.6Low33 Ų3377.2 Ų77.221%0.21444%0.438CS..SBendcis-99171.721.9-0.221.1000113.9T245 D247P243-T245 PolarHBondContact O-N 3.12Å; P243-D247 HydrophobicContact CB-CB 4.07Å
244H54.7Low69.4Low155 Ų15574 Ų7472%0.71841%0.405SS*.  trans-48.8134.6159.5-93.5-71.6000109.1S246 D247H244-S246 PolarHBondContact O-N 2.92Å; H244-D247 PolarHBondContact O-N 2.88Å
245T52.7Low69.3Low119 Ų11976.3 Ų76.373%0.7341%0.41SS*.Hα-helixtrans-50.8-25-176.339.90000114P243 M249P243-T245 PolarHBondContact O-N 3.12Å; T245-M249 WeakPolarHBondContact O-CB 3.29Å; T245-M249 WeakPolarHBondContact O-CG 3.33Å; T245-M249 PolarHBondContact O-N 2.65Å
246S53.8Low69.4Low61 Ų6175 Ų7543%0.42740%0.397SS..Hα-helixtrans-69.1-29.1175.654.20000115.4H244 K250H244-S246 PolarHBondContact O-N 2.92Å; S246-K250 VanDerWaalsContact O-CG 3.29Å; S246-K250 WeakPolarHBondContact O-CG 3.41Å; S246-K250 PolarHBondContact O-N 3.24Å
247D54.9Low69.4Low60 Ų6075.7 Ų75.732%0.32140%0.4SS..Hα-helixtrans-88-33.3-177.3-67.9-27.1000111.9P243 H244 K250 N251 K252P243-D247 HydrophobicContact CB-CB 4.07Å; H244-D247 PolarHBondContact O-N 2.88Å; D247-K250 PolarHBondContact O-N 2.78Å; D247-N251 PolarHBondContact O-N 2.8Å; D247-K252 PolarHBondContact O-N 2.89Å
248F52Low69.4Low70 Ų7073.3 Ų73.331%0.30738%0.383SS..Hα-helixtrans-63.1-44.6169.1-171.5-95.1000110.7I238 K250 N251I238-F248 HydrophobicContact CD1-CE2 4.45Å; I238-F248 HydrophobicContact CD1-CZ 4.17Å; I238-F248 HydrophobicContact CG2-CE2 4.48Å; F248-K250 PolarHBondContact O-N 3.26Å; F248-N251 PolarHBondContact O-N 2.98Å; F248-N251 PolarHBondContact O-OD1 2.84Å
249M49Very low69.1Low156 Ų15677.5 Ų77.577%0.76839%0.394SS*.THydrogen-bonded Turntrans-66.6-17.1176.4-69.8-66.3-71.900113.7T245T245-M249 WeakPolarHBondContact O-CB 3.29Å; T245-M249 WeakPolarHBondContact O-CG 3.33Å; T245-M249 PolarHBondContact O-N 2.65Å
250K58Low68.3Low136 Ų13684.3 Ų84.359%0.59142%0.423SS*.THydrogen-bonded Turntrans-96.82.2174.8-73.2176.3-176.61760113.2S246 D247 F248 K252S246-K250 VanDerWaalsContact O-CG 3.29Å; S246-K250 WeakPolarHBondContact O-CG 3.41Å; S246-K250 PolarHBondContact O-N 3.24Å; D247-K250 PolarHBondContact O-N 2.78Å; F248-K250 PolarHBondContact O-N 3.26Å; K250-K252 HydrophobicContact CB-CG 4.24Å; K250-K252 PolarHBondContact O-N 2.65Å; K250-K252 VanDerWaalsContact O-N 3.13Å
251N60.6Low68.3Low48 Ų4882.4 Ų82.426%0.25740%0.401SS..THydrogen-bonded Turntrans50.532.2-177.2-65.3-34000113.5L116 F220 D247 F248L116-N251 VanDerWaalsContact CB-O 3.26Å; L116-N251 WeakPolarHBondContact CB-O 3.26Å; L116-N251 HydrophobicContact CD1-CB 4.47Å; L116-N251 WeakPolarHBondContact CD1-O 3.32Å; F220-N251 HydrophobicContact CB-CB 4.32Å; D247-N251 PolarHBondContact O-N 2.8Å; F248-N251 PolarHBondContact O-N 2.98Å; F248-N251 PolarHBondContact O-OD1 2.84Å
252K74.1Confident68.4Low119 Ų11982.5 Ų82.552%0.51739%0.393SS..SBendtrans-92.7-33.7-177.4-73.1-164.2174.8-164.30113.3T115 L116 D247 K250T115-K252 WeakPolarHBondContact CA-O 3.46Å; L116-K252 PolarHBondContact N-O 2.88Å; D247-K252 PolarHBondContact O-N 2.89Å; K250-K252 HydrophobicContact CB-CG 4.24Å; K250-K252 PolarHBondContact O-N 2.65Å; K250-K252 VanDerWaalsContact O-N 3.13Å
253I81.6Confident69Low56 Ų5681.5 Ų81.529%0.28739%0.389SS..EExtended strand (participates in β ladder)trans-140125.1-178.4-56.5176.6000108.6I114 R255I114-I253 CarbonylContact O-C 3.57Å; I114-I253 VanDerWaalsContact O-CA 3.29Å; I114-I253 WeakPolarHBondContact O-CA 3.43Å; I253-R255 HydrophobicContact CG2-CG 4.22Å
254I86.4Confident69.6Low3 Ų384.4 Ų84.42%0.01540%0.399CS..EExtended strand (participates in β ladder)trans-119.1131.3174.3-60.8161000108.3N113 I114 L116 V224 L228 L256N113-I254 CarbonylContact C-O 3.6Å; N113-I254 WeakPolarHBondContact CA-O 3.42Å; I114-I254 HydrophobicContact CB-CB 4.18Å; I114-I254 HydrophobicContact CD1-CB 4.4Å; I114-I254 HydrophobicContact CD1-CG2 4.45Å; I114-I254 PolarHBondContact N-O 2.84Å; I114-I254 PolarHBondContact O-N 3Å; L116-I254 HydrophobicContact CD1-CD1 4.27Å; V224-I254 HydrophobicContact CB-CD1 4.04Å; V224-I254 HydrophobicContact CG1-CD1 3.58Å; V224-I254 HydrophobicContact CG2-CD1 3.34Å; L228-I254 HydrophobicContact CD2-CG2 4.44Å; I254-L256 HydrophobicContact CG2-CD2 4.03Å; I254-L256 HydrophobicContact CG2-CG 4.17Å
255R89.2Confident70.6Confident88 Ų8879.9 Ų79.933%0.33238%0.379SS..EExtended strand (participates in β ladder)trans-124122.5176.4-58.3-161.6174171.1-2.3109.7L112 N113 D239 I253L112-R255 CarbonylContact O-C 3.34Å; L112-R255 WeakPolarHBondContact O-CA 3.44Å; N113-R255 WeakPolarHBondContact OD1-CD 3.45Å; N113-R255 VanDerWaalsContact OD1-CG 3.25Å; N113-R255 WeakPolarHBondContact OD1-CG 3.41Å; D239-R255 HydrophobicContact CB-CB 4.02Å; D239-R255 PolarHBondContact N-O 2.83Å; I253-R255 HydrophobicContact CG2-CG 4.22Å
256L90.9Very high71.8Confident0 Ų077.3 Ų77.30%036%0.356CS..EExtended strand (participates in β ladder)trans-122148.8172.7-46.4179.5000109.7M111 L112 L228 A231 F236 C237 I238 I254M111-L256 CarbonylContact C-O 3.58Å; M111-L256 WeakPolarHBondContact CA-O 3.44Å; L112-L256 HydrophobicContact CB-CB 4.2Å; L112-L256 HydrophobicContact CD2-CB 4.45Å; L112-L256 HydrophobicContact CD2-CD1 3.73Å; L112-L256 HydrophobicContact CD2-CG 4.24Å; L112-L256 PolarHBondContact N-O 3.48Å; L112-L256 PolarHBondContact O-N 2.79Å; L228-L256 HydrophobicContact CD2-CD1 3.87Å; L228-L256 HydrophobicContact CD2-CD2 3.7Å; L228-L256 HydrophobicContact CD2-CG 4.36Å; A231-L256 HydrophobicContact CB-CD1 3.39Å; F236-L256 HydrophobicContact CB-CB 3.96Å; F236-L256 HydrophobicContact CB-CD1 4.17Å; F236-L256 HydrophobicContact CD1-CB 3.93Å; F236-L256 HydrophobicContact CG-CB 4.34Å; C237-L256 CarbonylContact O-C 3.56Å; C237-L256 WeakPolarHBondContact O-CA 3.47Å; C237-L256 WeakPolarHBondContact O-CB 3.3Å; I238-L256 HydrophobicContact CB-CD2 4.23Å; I238-L256 HydrophobicContact CG1-CD2 3.74Å; I254-L256 HydrophobicContact CG2-CD2 4.03Å; I254-L256 HydrophobicContact CG2-CG 4.17Å
257I91.4Very high73.1Confident19 Ų1978.5 Ų78.510%0.09735%0.351CS..EExtended strand (participates in β ladder)trans-128.9144.7177.858.8-163.6000109.1A110 F236 C237 D239 Y259A110-I257 CarbonylContact O-C 3.56Å; A110-I257 WeakPolarHBondContact O-CA 3.49Å; F236-I257 CarbonylContact C-O 3.52Å; F236-I257 WeakPolarHBondContact CA-O 3.49Å; C237-I257 PolarHBondContact N-O 3.36Å; C237-I257 PolarHBondContact O-N 3.43Å; C237-I257 PolarHBondContact SG-O 2.91Å; D239-I257 HydrophobicContact CB-CD1 3.94Å; D239-I257 HydrophobicContact CB-CG1 4.35Å; D239-I257 HydrophobicContact CB-CG2 4.15Å; I257-Y259 HydrophobicContact CB-CE2 3.93Å; I257-Y259 HydrophobicContact CD1-CD2 4.38Å; I257-Y259 HydrophobicContact CD1-CE2 3.39Å; I257-Y259 HydrophobicContact CG1-CD2 4.24Å; I257-Y259 HydrophobicContact CG1-CE2 3.61Å
258R91.1Very high74.5Confident13 Ų1379.9 Ų79.95%0.04935%0.353CS..EExtended strand (participates in β ladder)trans-121.8124172179.7168.969.1-163.2-10.4106.8E107 K108 N109 A110 S152 D234 G235 F236 K260E107-R258 PolarHBondContact O-NE 3.44Å; E107-R258 PolarHBondContact O-NH2 2.79Å; E107-R258 IonicContact OE2-NH2 3.45Å; K108-R258 CarbonylContact O-C 3.55Å; K108-R258 WeakPolarHBondContact O-CG 3.24Å; K108-R258 VanDerWaalsContact O-O 3.13Å; N109-R258 CarbonylContact C-O 3.59Å; N109-R258 VanDerWaalsContact CA-O 3.23Å; N109-R258 WeakPolarHBondContact CA-O 3.38Å; A110-R258 HydrophobicContact CB-CB 4.28Å; A110-R258 PolarHBondContact N-O 3.42Å; A110-R258 PolarHBondContact O-N 2.81Å; S152-R258 PolarHBondContact OG-NH2 3.08Å; D234-R258 VanDerWaalsContact O-CD 3.27Å; D234-R258 WeakPolarHBondContact O-CD 3.44Å; D234-R258 PolarHBondContact O-NH1 2.79Å; D234-R258 IonicContact OD1-NH1 3.69Å; D234-R258 PolarHBondContact OD1-NH1 2.96Å; D234-R258 IonicContact OD2-CZ 3.38Å; D234-R258 IonicContact OD2-NH1 3.14Å; D234-R258 PolarHBondContact OD2-NH1 2.92Å; D234-R258 IonicContact OD2-NH2 2.74Å; G235-R258 WeakPolarHBondContact O-CG 3.48Å; F236-R258 HydrophobicContact CD1-CB 3.81Å; F236-R258 HydrophobicContact CD2-CB 4.3Å; F236-R258 HydrophobicContact CE1-CB 4.02Å; F236-R258 HydrophobicContact CE2-CB 4.48Å; F236-R258 HydrophobicContact CG-CB 3.97Å; F236-R258 HydrophobicContact CZ-CB 4.35Å; R258-K260 HydrophobicContact CG-CD 4.37Å; R258-K260 HydrophobicContact CG-CG 4.16Å
259Y80.6Confident76.3Confident166 Ų16680.8 Ų80.865%0.65136%0.357SS*.  trans-120.8112168.9-56-70.2000107I257I257-Y259 HydrophobicContact CB-CE2 3.93Å; I257-Y259 HydrophobicContact CD1-CD2 4.38Å; I257-Y259 HydrophobicContact CD1-CE2 3.39Å; I257-Y259 HydrophobicContact CG1-CD2 4.24Å; I257-Y259 HydrophobicContact CG1-CE2 3.61Å
260K63.3Low78.8Confident165 Ų16573.9 Ų73.972%0.71732%0.32SS*.  trans-126.90178.6-84.2-174.2175.8168.20111.7K108 D234 R258K108-K260 HydrophobicContact CB-CB 4.16Å; K108-K260 WeakPolarHBondContact CB-O 3.45Å; K108-K260 HydrophobicContact CG-CB 4.23Å; K108-K260 PolarHBondContact O-N 3.31Å; D234-K260 PolarHBondContact O-NZ 3.21Å; D234-K260 VanDerWaalsContact O-NZ 3.11Å; R258-K260 HydrophobicContact CG-CD 4.37Å; R258-K260 HydrophobicContact CG-CG 4.16Å

Retrieved 260 of 260 residues in 156.8 ms (Link to these results)

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