A0A077Z9M2_TRITR Loading...

Transmembrane protein 47

AlphaFold DB , UniProt , Accession A0A077Z9M2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 208 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
1M61.4Low70.5Confident228 Ų22893.4 Ų93.4100%1.12353%0.532SS*.  0133.60-79.6167.5171.400106.5D3M1-D3 PolarHBondContact O-N 3.26Å
2P67.2Low69.6Low73 Ų7391.3 Ų91.347%0.47452%0.523SS..PPolyproline II helixtrans-61129.9171.525.7-31000108.5A4 Y201P2-A4 PolarHBondContact O-N 3.39Å; P2-Y201 HydrophobicContact CG-CD1 4.4Å
3D72.9Confident68.9Low111 Ų11190.9 Ų90.959%0.59452%0.523SS*.EExtended strand (participates in β ladder)trans-68.3119.4173.7-77.3-30.9000108M1 T202M1-D3 PolarHBondContact O-N 3.26Å; D3-T202 PolarHBondContact O-N 3.03Å
4A74.7Confident68.2Low57 Ų5790 Ų9047%0.47152%0.52SS..EExtended strand (participates in β ladder)trans-99.5116176.900000108.9P2 Y201P2-A4 PolarHBondContact O-N 3.39Å; A4-Y201 HydrophobicContact CB-CD1 3.81Å; A4-Y201 HydrophobicContact CB-CE1 3.79Å
5T77.6Confident68.2Low76 Ų7687.8 Ų87.847%0.46650%0.499SS..EExtended strand (participates in β ladder)trans-100.3118.2172.2-570000108.5T7 V200T5-T7 HydrophobicContact CG2-CG2 4.1Å; T5-V200 PolarHBondContact N-O 3.37Å; T5-V200 PolarHBondContact O-N 3.5Å
6T75.2Confident69.2Low102 Ų10287.6 Ų87.663%0.62650%0.502SS*.EExtended strand (participates in β ladder)trans-85.9112.5173.557.70000109.4T199T6-T199 HydrophobicContact CG2-CG2 3.84Å
7T76.8Confident70.3Confident56 Ų5684.9 Ų84.934%0.34449%0.486SS..EExtended strand (participates in β ladder)trans-108.9129.9174.656.50000109.7T5 E9 K198T5-T7 HydrophobicContact CG2-CG2 4.1Å; T7-E9 PolarHBondContact O-N 3.45Å; T7-K198 PolarHBondContact N-O 3.14Å; T7-K198 PolarHBondContact O-N 3.37Å; T7-K198 PolarHBondContact OG1-O 3.12Å
8I73.2Confident71.4Confident111 Ų11180.7 Ų80.757%0.56946%0.461SS*.EExtended strand (participates in β ladder)trans-85.9109.3172.1-61172.4000107.5Y195 E197I8-Y195 HydrophobicContact CG2-CD1 3.56Å; I8-Y195 HydrophobicContact CG2-CG 4.2Å; I8-E197 HydrophobicContact CG1-CG 4.45Å
9E67.2Low72.5Confident77 Ų7779.8 Ų79.836%0.3646%0.457SS..EExtended strand (participates in β ladder)trans-91.5128.3171.8-70.7178.817700108.7T7 V11 K196 K198T7-E9 PolarHBondContact O-N 3.45Å; E9-V11 PolarHBondContact O-N 2.83Å; E9-K196 PolarHBondContact N-O 3.26Å; E9-K196 PolarHBondContact O-N 2.83Å; E9-K198 VanDerWaalsContact OE1-CD 3.3Å; E9-K198 WeakPolarHBondContact OE1-CD 3.31Å; E9-K198 IonicContact OE1-NZ 2.97Å; E9-K198 PolarHBondContact OE1-NZ 2.92Å; E9-K198 IonicContact OE2-NZ 3.73Å
10T67.2Low73.6Confident80 Ų8080 Ų8049%0.49146%0.455SS..EExtended strand (participates in β ladder)trans-83.2109.7170.545.60000108.9V193 Y195T10-V193 HydrophobicContact CG2-CG1 4.09Å; T10-Y195 HydrophobicContact CG2-CD1 4.03Å; T10-Y195 HydrophobicContact CG2-CE1 3.85Å
11V61.8Low74.6Confident56 Ų5676.1 Ų76.134%0.33943%0.434SS..EExtended strand (participates in β ladder)trans-100.2117178.4-176.30000109.2E9 Y194 K196E9-V11 PolarHBondContact O-N 2.83Å; V11-Y194 PolarHBondContact N-O 2.89Å; V11-Y194 VanDerWaalsContact N-O 3.11Å; V11-K196 HydrophobicContact CG2-CB 4.12Å
12T59.8Low76.2Confident68 Ų6866.8 Ų66.842%0.41739%0.388SS..  trans-93.8109.9175.656.30000109.5V14 Y117T12-V14 PolarHBondContact O-N 2.9Å; T12-Y117 HydrophobicContact CG2-CE1 3.45Å; T12-Y117 VanDerWaalsContact CG2-CE1 3.45Å; T12-Y117 WeakPolarHBondContact CG2-OH 3.3Å
13V59.8Low77.6Confident87 Ų8767.6 Ų67.653%0.52739%0.388SS..  trans-85.4101.2172.5-177.60000107.7R15 Y194V13-R15 HydrophobicContact CG1-CG 4.35Å; V13-R15 PolarHBondContact O-N 2.93Å; V13-Y194 HydrophobicContact CG2-CD2 4.06Å; V13-Y194 HydrophobicContact CG2-CE2 4.21Å
14V60.3Low78.8Confident78 Ų7863.5 Ų63.547%0.47337%0.367SS..  trans-69.399.7168.8-178.30000107.5T12T12-V14 PolarHBondContact O-N 2.9Å
15R67.2Low79.8Confident57 Ų5760.9 Ų60.922%0.21535%0.345CS..  trans-67.6136177.3-63.6179-175.8-142.80.5109.1V13 L17 R190 E192 Y194V13-R15 HydrophobicContact CG1-CG 4.35Å; V13-R15 PolarHBondContact O-N 2.93Å; R15-L17 HydrophobicContact CB-CD1 4.35Å; R15-L17 PolarHBondContact O-N 3.31Å; R15-R190 PolarHBondContact NE-O 2.93Å; R15-R190 VanDerWaalsContact NH1-CB 3.28Å; R15-R190 PolarHBondContact NH2-O 3.41Å; R15-E192 IonicContact NH2-OE1 3.79Å; R15-Y194 PolarHBondContact NH2-OH 2.98Å
16P84.1Confident80.8Confident84 Ų8460.7 Ų60.755%0.54534%0.341SS..THydrogen-bonded Turntrans-65.6-9.5-174.626.9-35.3000113.5K18 V19 I20P16-K18 VanDerWaalsContact C-N 3.3Å; P16-K18 PolarHBondContact O-N 2.94Å; P16-V19 PolarHBondContact O-N 3.28Å; P16-V19 VanDerWaalsContact O-N 3.08Å; P16-I20 HydrophobicContact CB-CD1 4.49Å; P16-I20 WeakPolarHBondContact O-CG1 3.09Å; P16-I20 PolarHBondContact O-N 2.97Å
17L88.7Confident81.9Confident43 Ų4359.9 Ų59.923%0.22533%0.332CS..Hα-helixtrans-56.4-40.3-177.8-81.867.1000112.7R15 V19 I20 S21 L183R15-L17 HydrophobicContact CB-CD1 4.35Å; R15-L17 PolarHBondContact O-N 3.31Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 3.5Å; L17-I20 PolarHBondContact O-N 3.35Å; L17-S21 WeakPolarHBondContact O-CB 3.05Å; L17-S21 PolarHBondContact O-N 3.17Å; L17-L183 HydrophobicContact CG-CD2 4.31Å
18K89.4Confident82.9Confident8 Ų857.2 Ų57.24%0.03532%0.316CS..Hα-helixtrans-67.1-35.6178.2-64.2-52.3-153.6-153.10112.6P16 S21 L22 L112 Y124 L184 D187P16-K18 VanDerWaalsContact C-N 3.3Å; P16-K18 PolarHBondContact O-N 2.94Å; K18-S21 WeakPolarHBondContact O-CB 3.32Å; K18-S21 PolarHBondContact O-N 3.11Å; K18-L22 PolarHBondContact O-N 3.03Å; K18-L112 HydrophobicContact CB-CD2 4.15Å; K18-Y124 HydrophobicContact CD-CD1 4.4Å; K18-Y124 HydrophobicContact CD-CE1 4.45Å; K18-Y124 HydrophobicContact CD-CG 4.5Å; K18-Y124 HydrophobicContact CG-CE1 4.36Å; K18-Y124 HydrophobicContact CG-CE2 4.26Å; K18-L184 HydrophobicContact CD-CD2 3.75Å; K18-L184 PolarHBondContact NZ-O 3.02Å; K18-D187 HydrophobicContact CD-CB 4.29Å; K18-D187 WeakPolarHBondContact CD-OD2 3.42Å; K18-D187 WeakPolarHBondContact CE-OD2 3.36Å; K18-D187 IonicContact NZ-OD2 2.84Å; K18-D187 PolarHBondContact NZ-OD2 3.03Å; K18-D187 VanDerWaalsContact NZ-OD2 3.15Å
19V92.6Very high84.1Confident65 Ų6553.1 Ų53.139%0.39430%0.295SS..Hα-helixtrans-70.2-42.3176.7-178.60000110.2P16 L17 S21 L22 I23 L112P16-V19 PolarHBondContact O-N 3.28Å; P16-V19 VanDerWaalsContact O-N 3.08Å; L17-V19 VanDerWaalsContact C-N 3.34Å; L17-V19 PolarHBondContact O-N 3.5Å; V19-S21 VanDerWaalsContact C-N 3.33Å; V19-S21 PolarHBondContact O-N 2.94Å; V19-L22 WeakPolarHBondContact O-CB 2.87Å; V19-L22 PolarHBondContact O-N 2.83Å; V19-I23 HydrophobicContact CG1-CD1 4.27Å; V19-I23 WeakPolarHBondContact O-CG1 3.42Å; V19-I23 PolarHBondContact O-N 3.33Å; V19-L112 HydrophobicContact CG2-CD2 4.2Å
20I94Very high85.6Confident82 Ų8254.4 Ų54.442%0.42130%0.304SS..Hα-helixtrans-62.3-43.4175.1-61.9165.9000110.2P16 L17 L22 I23 C24 L183P16-I20 HydrophobicContact CB-CD1 4.49Å; P16-I20 WeakPolarHBondContact O-CG1 3.09Å; P16-I20 PolarHBondContact O-N 2.97Å; L17-I20 PolarHBondContact O-N 3.35Å; I20-L22 VanDerWaalsContact C-N 3.33Å; I20-L22 PolarHBondContact O-N 3.47Å; I20-I23 PolarHBondContact O-N 2.62Å; I20-C24 PolarHBondContact O-N 3.01Å; I20-C24 PolarHBondContact O-SG 2.98Å; I20-C24 VanDerWaalsContact O-SG 3.35Å; I20-L183 HydrophobicContact CB-CD1 4.18Å; I20-L183 HydrophobicContact CG2-CD1 3.64Å
21S94.4Very high87Confident0 Ų052.4 Ų52.40%029%0.292CS..Hα-helixtrans-56.2-46.9174.7-1750000111.9L17 K18 V19 I23 C24 E25 A180 L184L17-S21 WeakPolarHBondContact O-CB 3.05Å; L17-S21 PolarHBondContact O-N 3.17Å; K18-S21 WeakPolarHBondContact O-CB 3.32Å; K18-S21 PolarHBondContact O-N 3.11Å; V19-S21 VanDerWaalsContact C-N 3.33Å; V19-S21 PolarHBondContact O-N 2.94Å; S21-I23 VanDerWaalsContact C-N 3.33Å; S21-I23 PolarHBondContact O-N 2.99Å; S21-C24 WeakPolarHBondContact O-CB 3.3Å; S21-C24 PolarHBondContact O-N 3.21Å; S21-E25 WeakPolarHBondContact O-CG 3.11Å; S21-E25 PolarHBondContact O-N 3.47Å; S21-A180 PolarHBondContact OG-O 3.21Å; S21-L184 WeakPolarHBondContact OG-CG 3.29Å
22L95.6Very high88.7Confident32 Ų3249.8 Ų49.817%0.16828%0.276CS..Hα-helixtrans-59.6-43.6178.1-178.965.7000111.8K18 V19 I20 C24 E25 I26 I105 T108 L112K18-L22 PolarHBondContact O-N 3.03Å; V19-L22 WeakPolarHBondContact O-CB 2.87Å; V19-L22 PolarHBondContact O-N 2.83Å; I20-L22 VanDerWaalsContact C-N 3.33Å; I20-L22 PolarHBondContact O-N 3.47Å; L22-C24 VanDerWaalsContact C-N 3.33Å; L22-C24 PolarHBondContact O-N 2.98Å; L22-E25 PolarHBondContact O-N 3.23Å; L22-I26 HydrophobicContact CD1-CD1 4.49Å; L22-I26 HydrophobicContact CG-CD1 4.13Å; L22-I26 WeakPolarHBondContact O-CG1 3.37Å; L22-I26 PolarHBondContact O-N 2.85Å; L22-I105 HydrophobicContact CD1-CB 4.38Å; L22-I105 HydrophobicContact CD1-CG2 3.87Å; L22-T108 HydrophobicContact CB-CG2 4Å; L22-T108 HydrophobicContact CD1-CG2 3.96Å; L22-T108 HydrophobicContact CG-CG2 4.49Å; L22-L112 HydrophobicContact CD2-CD1 3.77Å
23I96.8Very high90.5Very high90 Ų9051 Ų5146%0.46228%0.279SS..Hα-helixtrans-61.8-43.7176.6-65.6165.5000110.3V19 I20 S21 E25 I26 L27V19-I23 HydrophobicContact CG1-CD1 4.27Å; V19-I23 WeakPolarHBondContact O-CG1 3.42Å; V19-I23 PolarHBondContact O-N 3.33Å; I20-I23 PolarHBondContact O-N 2.62Å; S21-I23 VanDerWaalsContact C-N 3.33Å; S21-I23 PolarHBondContact O-N 2.99Å; I23-E25 VanDerWaalsContact C-N 3.35Å; I23-E25 PolarHBondContact O-N 3.31Å; I23-I26 PolarHBondContact O-N 3.33Å; I23-L27 HydrophobicContact CG2-CD1 4.16Å; I23-L27 WeakPolarHBondContact O-CG 3.48Å; I23-L27 PolarHBondContact O-N 3.4Å
24C97.3Very high92.2Very high25 Ų2550.7 Ų50.717%0.16927%0.274CS..Hα-helixtrans-60.9-40.7176.3-70.10000112.3I20 S21 L22 L27 A28 A180I20-C24 PolarHBondContact O-N 3.01Å; I20-C24 PolarHBondContact O-SG 2.98Å; I20-C24 VanDerWaalsContact O-SG 3.35Å; S21-C24 WeakPolarHBondContact O-CB 3.3Å; S21-C24 PolarHBondContact O-N 3.21Å; L22-C24 VanDerWaalsContact C-N 3.33Å; L22-C24 PolarHBondContact O-N 2.98Å; C24-L27 PolarHBondContact O-N 2.95Å; C24-A28 WeakPolarHBondContact O-CB 3.3Å; C24-A28 PolarHBondContact O-N 3.4Å; C24-A180 HydrophobicContact CB-CB 3.92Å
25E96.9Very high93.9Very high1 Ų147 Ų471%0.00525%0.252CS..Hα-helixtrans-66.7-39.6176.4-67.2178.9159.600112.2S21 L22 I23 A28 L29 S104 I105 T108 S131 A180S21-E25 WeakPolarHBondContact O-CG 3.11Å; S21-E25 PolarHBondContact O-N 3.47Å; L22-E25 PolarHBondContact O-N 3.23Å; I23-E25 VanDerWaalsContact C-N 3.35Å; I23-E25 PolarHBondContact O-N 3.31Å; E25-A28 WeakPolarHBondContact O-CB 3.39Å; E25-A28 PolarHBondContact O-N 3.33Å; E25-L29 PolarHBondContact O-N 3.4Å; E25-S104 PolarHBondContact OE1-OG 3.08Å; E25-I105 HydrophobicContact CB-CD1 4.1Å; E25-I105 HydrophobicContact CB-CG1 3.52Å; E25-T108 PolarHBondContact OE2-OG1 2.83Å; E25-S131 PolarHBondContact OE1-OG 3.48Å; E25-A180 HydrophobicContact CG-CB 3.4Å; E25-A180 VanDerWaalsContact CG-CB 3.4Å
26I98.2Very high95.2Very high72 Ų7245.3 Ų45.337%0.36925%0.247SC..Hα-helixtrans-62.1-46.6175.2-68165.4000110.1L22 I23 A28 L29 L30 I105L22-I26 HydrophobicContact CD1-CD1 4.49Å; L22-I26 HydrophobicContact CG-CD1 4.13Å; L22-I26 WeakPolarHBondContact O-CG1 3.37Å; L22-I26 PolarHBondContact O-N 2.85Å; I23-I26 PolarHBondContact O-N 3.33Å; I26-A28 VanDerWaalsContact C-N 3.32Å; I26-A28 PolarHBondContact O-N 3.15Å; I26-L29 PolarHBondContact O-N 3.07Å; I26-L30 HydrophobicContact CG2-CD1 4.1Å; I26-L30 HydrophobicContact CG2-CG 4.47Å; I26-L30 VanDerWaalsContact O-CG 3.32Å; I26-L30 WeakPolarHBondContact O-CG 3.35Å; I26-L30 PolarHBondContact O-N 3.24Å; I26-I105 HydrophobicContact CG1-CD1 4.11Å; I26-I105 HydrophobicContact CG1-CG1 4.44Å; I26-I105 HydrophobicContact CG1-CG2 4.2Å
27L98.1Very high95.6Very high85 Ų8545.3 Ų45.345%0.44525%0.249SC..Hα-helixtrans-62.4-40.1175.6-69.8174.5000111.8I23 C24 L29 L30 T31I23-L27 HydrophobicContact CG2-CD1 4.16Å; I23-L27 WeakPolarHBondContact O-CG 3.48Å; I23-L27 PolarHBondContact O-N 3.4Å; C24-L27 PolarHBondContact O-N 2.95Å; L27-L29 VanDerWaalsContact C-N 3.35Å; L27-L29 PolarHBondContact O-N 2.97Å; L27-L30 PolarHBondContact O-N 2.98Å; L27-T31 WeakPolarHBondContact O-CB 3.47Å; L27-T31 WeakPolarHBondContact O-CG2 3.49Å; L27-T31 PolarHBondContact O-N 3.39Å; L27-T31 PolarHBondContact O-OG1 3.32Å
28A98Very high95.8Very high0 Ų044.5 Ų44.50%025%0.245CC..Hα-helixtrans-60.3-44.3174.900000111.4C24 E25 I26 T31 L32 S173 C176 T177C24-A28 WeakPolarHBondContact O-CB 3.3Å; C24-A28 PolarHBondContact O-N 3.4Å; E25-A28 WeakPolarHBondContact O-CB 3.39Å; E25-A28 PolarHBondContact O-N 3.33Å; I26-A28 VanDerWaalsContact C-N 3.32Å; I26-A28 PolarHBondContact O-N 3.15Å; A28-T31 WeakPolarHBondContact CA-OG1 3.42Å; A28-T31 PolarHBondContact O-OG1 3.04Å; A28-L32 VanDerWaalsContact O-CB 3.28Å; A28-L32 WeakPolarHBondContact O-CB 3.36Å; A28-L32 PolarHBondContact O-N 3.29Å; A28-S173 WeakPolarHBondContact O-CB 3.49Å; A28-S173 PolarHBondContact O-OG 3.25Å; A28-C176 HydrophobicContact CB-CB 3.7Å; A28-T177 WeakPolarHBondContact CB-OG1 3.21Å
29L98.2Very high95.8Very high25 Ų2544.9 Ų44.913%0.13125%0.249CC..Hα-helixtrans-65.5-45.8177.9-177.263.5000111.7E25 I26 L27 T31 L32 L33 I101 L102 I105E25-L29 PolarHBondContact O-N 3.4Å; I26-L29 PolarHBondContact O-N 3.07Å; L27-L29 VanDerWaalsContact C-N 3.35Å; L27-L29 PolarHBondContact O-N 2.97Å; L29-T31 PolarHBondContact O-N 2.97Å; L29-L32 PolarHBondContact O-N 3.35Å; L29-L33 HydrophobicContact CD1-CD1 4.28Å; L29-L33 HydrophobicContact CD1-CG 4.26Å; L29-L33 HydrophobicContact CG-CD1 4.06Å; L29-L33 HydrophobicContact CG-CG 4.44Å; L29-L33 WeakPolarHBondContact O-CB 3.43Å; L29-L33 VanDerWaalsContact O-CG 3.27Å; L29-L33 WeakPolarHBondContact O-CG 3.46Å; L29-L33 PolarHBondContact O-N 3.48Å; L29-I101 HydrophobicContact CB-CG2 4.09Å; L29-L102 HydrophobicContact CD2-CB 4.27Å; L29-L102 HydrophobicContact CD2-CD1 3.84Å; L29-I105 HydrophobicContact CB-CD1 4.06Å; L29-I105 HydrophobicContact CD2-CD1 3.86Å
30L98.1Very high95.8Very high104 Ų10442 Ų4255%0.54523%0.233SC..Hα-helixtrans-61.7-44.4179.1-69.9175.1000111.9I26 L27 L33 L34I26-L30 HydrophobicContact CG2-CD1 4.1Å; I26-L30 HydrophobicContact CG2-CG 4.47Å; I26-L30 VanDerWaalsContact O-CG 3.32Å; I26-L30 WeakPolarHBondContact O-CG 3.35Å; I26-L30 PolarHBondContact O-N 3.24Å; L27-L30 PolarHBondContact O-N 2.98Å; L30-L33 PolarHBondContact O-N 3.49Å; L30-L34 WeakPolarHBondContact O-CB 3.38Å; L30-L34 PolarHBondContact O-N 2.87Å
31T97.4Very high95.7Very high39 Ų3938.2 Ų38.224%0.23921%0.213CC..Hα-helixtrans-67.3-37.3176.849.90000111.9L27 A28 L29 L34 S35 V169 S173L27-T31 WeakPolarHBondContact O-CB 3.47Å; L27-T31 WeakPolarHBondContact O-CG2 3.49Å; L27-T31 PolarHBondContact O-N 3.39Å; L27-T31 PolarHBondContact O-OG1 3.32Å; A28-T31 WeakPolarHBondContact CA-OG1 3.42Å; A28-T31 PolarHBondContact O-OG1 3.04Å; L29-T31 PolarHBondContact O-N 2.97Å; T31-L34 PolarHBondContact O-N 3.49Å; T31-S35 WeakPolarHBondContact O-CB 3.36Å; T31-S35 PolarHBondContact O-N 3.08Å; T31-V169 HydrophobicContact CG2-CG1 4.41Å; T31-V169 VanDerWaalsContact O-CG1 3.28Å; T31-V169 WeakPolarHBondContact O-CG1 3.24Å; T31-S173 VanDerWaalsContact OG1-CA 3.25Å; T31-S173 WeakPolarHBondContact OG1-CA 3.28Å; T31-S173 VanDerWaalsContact OG1-CB 3.25Å; T31-S173 WeakPolarHBondContact OG1-CB 3.5Å
32L97.5Very high95.5Very high1 Ų138.3 Ų38.31%0.00521%0.213CC..Hα-helixtrans-63.8-46.7174.4-174.958.2000112.1A28 L29 L34 S35 L36 L94 G98 I101 S173A28-L32 VanDerWaalsContact O-CB 3.28Å; A28-L32 WeakPolarHBondContact O-CB 3.36Å; A28-L32 PolarHBondContact O-N 3.29Å; L29-L32 PolarHBondContact O-N 3.35Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 3.19Å; L32-S35 WeakPolarHBondContact O-CB 3.45Å; L32-S35 PolarHBondContact O-N 3.4Å; L32-L36 HydrophobicContact CD1-CD1 4.35Å; L32-L36 HydrophobicContact CD1-CG 4.45Å; L32-L36 HydrophobicContact CG-CD1 4.15Å; L32-L36 WeakPolarHBondContact O-CG 3.41Å; L32-L36 PolarHBondContact O-N 3.36Å; L32-L94 HydrophobicContact CD1-CB 4.31Å; L32-L94 HydrophobicContact CD1-CD2 4.01Å; L32-G98 VanDerWaalsContact CD2-CA 3.47Å; L32-I101 HydrophobicContact CD2-CD1 4.31Å; L32-S173 WeakPolarHBondContact CB-OG 3.02Å
33L97Very high95.2Very high94 Ų9439.5 Ų39.549%0.49222%0.217SC..Hα-helixtrans-63.5-40.3177.3-69.3174.4000111.4L29 L30 S35 L36 S37L29-L33 HydrophobicContact CD1-CD1 4.28Å; L29-L33 HydrophobicContact CD1-CG 4.26Å; L29-L33 HydrophobicContact CG-CD1 4.06Å; L29-L33 HydrophobicContact CG-CG 4.44Å; L29-L33 WeakPolarHBondContact O-CB 3.43Å; L29-L33 VanDerWaalsContact O-CG 3.27Å; L29-L33 WeakPolarHBondContact O-CG 3.46Å; L29-L33 PolarHBondContact O-N 3.48Å; L30-L33 PolarHBondContact O-N 3.49Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-L36 PolarHBondContact O-N 3.48Å; L33-S37 VanDerWaalsContact O-CB 3.29Å; L33-S37 WeakPolarHBondContact O-CB 3.39Å; L33-S37 PolarHBondContact O-N 2.91Å; L33-S37 PolarHBondContact O-OG 2.93Å
34L96.6Very high94.6Very high80 Ų8035.2 Ų35.242%0.41920%0.195SC..Hα-helixtrans-59.8-47172.3179.860.9000110.4L30 T31 L32 L36 S37 T38 W165 V169L30-L34 WeakPolarHBondContact O-CB 3.38Å; L30-L34 PolarHBondContact O-N 2.87Å; T31-L34 PolarHBondContact O-N 3.49Å; L32-L34 VanDerWaalsContact C-N 3.33Å; L32-L34 PolarHBondContact O-N 3.19Å; L34-L36 PolarHBondContact O-N 2.87Å; L34-S37 PolarHBondContact O-N 3.2Å; L34-S37 PolarHBondContact O-OG 3.42Å; L34-S37 VanDerWaalsContact O-OG 3.06Å; L34-T38 HydrophobicContact CD1-CG2 3.92Å; L34-T38 HydrophobicContact CG-CG2 4.43Å; L34-T38 WeakPolarHBondContact O-CG2 3.44Å; L34-T38 PolarHBondContact O-N 3.02Å; L34-W165 HydrophobicContact CD2-CZ3 4.43Å; L34-W165 HydrophobicContact CG-CZ3 4.48Å; L34-V169 HydrophobicContact CB-CG1 4.43Å; L34-V169 HydrophobicContact CD2-CG1 4.16Å; L34-V169 HydrophobicContact CG-CG1 4.39Å
35S95.4Very high93.8Very high0 Ų038 Ų380%021%0.205CC..Hα-helixtrans-60.3-44.5179-173.30000112.2T31 L32 L33 W41 S166T31-S35 WeakPolarHBondContact O-CB 3.36Å; T31-S35 PolarHBondContact O-N 3.08Å; L32-S35 WeakPolarHBondContact O-CB 3.45Å; L32-S35 PolarHBondContact O-N 3.4Å; L33-S35 VanDerWaalsContact C-N 3.33Å; S35-W41 PolarHBondContact O-NE1 3.38Å; S35-W41 WeakPolarHBondContact OG-CZ2 3.09Å; S35-W41 PolarHBondContact OG-NE1 3.03Å; S35-S166 VanDerWaalsContact CA-OG 3.24Å; S35-S166 WeakPolarHBondContact CA-OG 3.3Å; S35-S166 PolarHBondContact O-OG 3.35Å; S35-S166 PolarHBondContact OG-O 2.89Å; S35-S166 PolarHBondContact OG-OG 3.47Å
36L94.2Very high92.9Very high21 Ų2139.3 Ų39.311%0.1122%0.22CC..Hα-helixtrans-70.8-31.5-179.8-71.9172.7000114L32 L33 L34 F53 L94 V95L32-L36 HydrophobicContact CD1-CD1 4.35Å; L32-L36 HydrophobicContact CD1-CG 4.45Å; L32-L36 HydrophobicContact CG-CD1 4.15Å; L32-L36 WeakPolarHBondContact O-CG 3.41Å; L32-L36 PolarHBondContact O-N 3.36Å; L33-L36 PolarHBondContact O-N 3.48Å; L34-L36 PolarHBondContact O-N 2.87Å; L36-F53 HydrophobicContact CB-CE2 4.29Å; L36-F53 HydrophobicContact CD2-CE2 3.95Å; L36-L94 HydrophobicContact CD1-CB 4.41Å; L36-L94 HydrophobicContact CD2-CB 3.84Å; L36-L94 HydrophobicContact CD2-CD1 4Å; L36-V95 HydrophobicContact CD1-CG2 4.33Å
37S93Very high92.2Very high85 Ų8536.4 Ų36.459%0.59420%0.204SC*.Hα-helixtrans-81.4-19-177.158.60000113.8L33 L34L33-S37 VanDerWaalsContact O-CB 3.29Å; L33-S37 WeakPolarHBondContact O-CB 3.39Å; L33-S37 PolarHBondContact O-N 2.91Å; L33-S37 PolarHBondContact O-OG 2.93Å; L34-S37 PolarHBondContact O-N 3.2Å; L34-S37 PolarHBondContact O-OG 3.42Å; L34-S37 VanDerWaalsContact O-OG 3.06Å
38T92.5Very high91.6Very high25 Ų2532.6 Ų32.615%0.15318%0.184CC..  trans-90.3155.7-178.384.30000112.4L34 A40 W165 S166L34-T38 HydrophobicContact CD1-CG2 3.92Å; L34-T38 HydrophobicContact CG-CG2 4.43Å; L34-T38 WeakPolarHBondContact O-CG2 3.44Å; L34-T38 PolarHBondContact O-N 3.02Å; T38-A40 VanDerWaalsContact C-N 3.3Å; T38-A40 PolarHBondContact OG1-N 3.46Å; T38-W165 HydrophobicContact CG2-CH2 3.46Å; T38-W165 VanDerWaalsContact CG2-CH2 3.46Å; T38-W165 HydrophobicContact CG2-CZ2 3.92Å; T38-W165 HydrophobicContact CG2-CZ3 4.39Å; T38-S166 WeakPolarHBondContact OG1-CB 3.36Å; T38-S166 PolarHBondContact OG1-OG 3.19Å
39C90.2Very high91.2Very high16 Ų1635.7 Ų35.711%0.10820%0.198CC..SBendtrans-9317.9173.7-50.70000113K49 S50 G51 C56C39-K49 HydrophobicContact CB-CD 4.41Å; C39-K49 HydrophobicContact CB-CG 4.46Å; C39-S50 CarbonylContact O-C 3.59Å; C39-S50 PolarHBondContact O-N 3.29Å; C39-G51 PolarHBondContact O-N 2.97Å; C39-C56 PolarHBondContact SG-SG 3.21Å
40A91.8Very high90.8Very high6 Ų634.5 Ų34.55%0.0519%0.191CC..  trans-11143.2-167.800000112.2T38 D164 W165 S166T38-A40 VanDerWaalsContact C-N 3.3Å; T38-A40 PolarHBondContact OG1-N 3.46Å; A40-D164 WeakPolarHBondContact CB-OD2 3.23Å; A40-D164 CarbonylContact O-C 3.5Å; A40-D164 VanDerWaalsContact O-C 3.28Å; A40-D164 VanDerWaalsContact O-CB 3.22Å; A40-D164 WeakPolarHBondContact O-CB 3.45Å; A40-W165 HydrophobicContact CB-CD2 4.41Å; A40-W165 HydrophobicContact CB-CZ2 3.94Å; A40-S166 VanDerWaalsContact C-CB 3.47Å; A40-S166 WeakPolarHBondContact O-CB 3.25Å; A40-S166 PolarHBondContact O-N 2.89Å
41W92.7Very high90.4Very high1 Ų129.6 Ų29.60%0.00417%0.166CC..SBendtrans-86.5-42.7173.7-84.461.8000111.7S35 S50 I52 T90 L94 L142 F145 D164 S166 Y167S35-W41 PolarHBondContact O-NE1 3.38Å; S35-W41 WeakPolarHBondContact OG-CZ2 3.09Å; S35-W41 PolarHBondContact OG-NE1 3.03Å; W41-S50 WeakPolarHBondContact CB-O 3.07Å; W41-S50 PolarHBondContact N-O 3.07Å; W41-S50 VanDerWaalsContact N-O 3.13Å; W41-I52 HydrophobicContact CD2-CD1 3.78Å; W41-I52 HydrophobicContact CD2-CG1 3.67Å; W41-I52 VanDerWaalsContact CE2-CG1 3.47Å; W41-I52 HydrophobicContact CE3-CD1 3.59Å; W41-I52 HydrophobicContact CE3-CG1 4.02Å; W41-I52 HydrophobicContact CG-CG1 4.2Å; W41-I52 HydrophobicContact CH2-CD1 3.99Å; W41-I52 HydrophobicContact CH2-CG1 4.09Å; W41-I52 HydrophobicContact CZ2-CD1 4.12Å; W41-I52 HydrophobicContact CZ2-CG1 3.7Å; W41-I52 HydrophobicContact CZ3-CD1 3.7Å; W41-I52 HydrophobicContact CZ3-CG1 4.22Å; W41-T90 HydrophobicContact CZ3-CG2 4.41Å; W41-L94 HydrophobicContact CH2-CD1 3.47Å; W41-L94 VanDerWaalsContact CH2-CD1 3.47Å; W41-L94 HydrophobicContact CZ2-CD1 3.83Å; W41-L142 HydrophobicContact CH2-CD2 3.92Å; W41-L142 HydrophobicContact CZ3-CD2 4.37Å; W41-F145 HydrophobicContact CE3-CD1 4.06Å; W41-F145 AromaticContact CE3-CE1 3.77Å; W41-F145 HydrophobicContact CE3-CE1 3.77Å; W41-F145 HydrophobicContact CE3-CE2 4.49Å; W41-F145 AromaticContact CE3-CZ 4Å; W41-F145 HydrophobicContact CE3-CZ 4Å; W41-F145 HydrophobicContact CZ3-CD1 4.08Å; W41-F145 HydrophobicContact CZ3-CE1 4.26Å; W41-F145 HydrophobicContact CZ3-CG 4.27Å; W41-D164 PolarHBondContact O-N 3.49Å; W41-S166 PolarHBondContact NE1-OG 3.24Å; W41-Y167 AromaticContact CE3-CD2 3.8Å; W41-Y167 HydrophobicContact CE3-CD2 3.8Å; W41-Y167 HydrophobicContact CH2-CD2 4.38Å; W41-Y167 AromaticContact CZ3-CD2 3.64Å; W41-Y167 HydrophobicContact CZ3-CD2 3.64Å; W41-Y167 HydrophobicContact CZ3-CE2 4.24Å
42L90.4Very high90.1Very high2 Ų227.7 Ų27.71%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-129.3142.1178.5-66.4170.7000108.8K49 S50 F87 F145 F149 W161 E162 L163L42-K49 CarbonylContact O-C 3.28Å; L42-K49 VanDerWaalsContact O-CA 3.23Å; L42-K49 WeakPolarHBondContact O-CA 3.33Å; L42-S50 PolarHBondContact N-O 3.01Å; L42-S50 PolarHBondContact O-N 3.45Å; L42-F87 HydrophobicContact CD1-CZ 3.8Å; L42-F145 HydrophobicContact CD1-CE1 4.34Å; L42-F145 HydrophobicContact CD1-CZ 3.86Å; L42-F145 HydrophobicContact CD2-CE1 4.34Å; L42-F145 HydrophobicContact CG-CE1 4.3Å; L42-F145 HydrophobicContact CG-CZ 4.19Å; L42-F149 HydrophobicContact CD1-CD2 4.07Å; L42-F149 HydrophobicContact CD1-CE2 3.78Å; L42-F149 HydrophobicContact CD1-CZ 4.1Å; L42-F149 HydrophobicContact CD2-CD1 3.99Å; L42-F149 HydrophobicContact CD2-CE1 3.57Å; L42-F149 HydrophobicContact CD2-CE2 4.18Å; L42-F149 HydrophobicContact CD2-CG 4.44Å; L42-F149 HydrophobicContact CD2-CZ 3.7Å; L42-F149 HydrophobicContact CG-CZ 4.49Å; L42-W161 HydrophobicContact CB-CE3 4.21Å; L42-W161 HydrophobicContact CB-CZ3 4.31Å; L42-E162 WeakPolarHBondContact CA-O 3.48Å; L42-L163 HydrophobicContact CD2-CD2 3.73Å; L42-L163 HydrophobicContact CD2-CG 4.48Å
43K88.8Confident89.8Confident58 Ų5831.2 Ų31.225%0.25217%0.17SC..EExtended strand (participates in β ladder)trans-133.8151.8172.966.1-179.4178.5167.60110F48 W161 E162 D164K43-F48 CarbonylContact C-O 3.16Å; K43-F48 WeakPolarHBondContact CA-O 3.37Å; K43-W161 WeakPolarHBondContact O-CA 3.44Å; K43-E162 WeakPolarHBondContact CE-OE2 3.45Å; K43-E162 HydrophobicContact CG-CB 4.07Å; K43-E162 PolarHBondContact N-O 3.39Å; K43-E162 IonicContact NZ-OE2 3.15Å; K43-E162 PolarHBondContact NZ-OE2 2.9Å; K43-E162 PolarHBondContact O-N 3.3Å; K43-D164 HydrophobicContact CB-CB 4.15Å; K43-D164 HydrophobicContact CD-CB 4.02Å; K43-D164 HydrophobicContact CG-CB 3.97Å
44C85Confident89.5Confident0 Ų031.2 Ų31.20%017%0.167CC..EExtended strand (participates in β ladder)trans-129.9111.7173.8-163.90000109.2G46 Y47 F48 T160 W161C44-G46 PolarHBondContact O-N 3.15Å; C44-Y47 HydrophobicContact CB-CE1 4.34Å; C44-Y47 HydrophobicContact CB-CE2 4.29Å; C44-Y47 VanDerWaalsContact O-CD1 3.28Å; C44-Y47 WeakPolarHBondContact O-CD1 3.38Å; C44-Y47 PolarHBondContact O-N 3.11Å; C44-Y47 PolarHBondContact SG-OH 3.27Å; C44-F48 HydrophobicContact CB-CB 4.4Å; C44-F48 PolarHBondContact N-O 3.45Å; C44-F48 PolarHBondContact O-N 3.27Å; C44-T160 WeakPolarHBondContact CA-O 3.04Å; C44-T160 PolarHBondContact SG-O 3.48Å; C44-W161 HydrophobicContact CB-CD2 3.9Å; C44-W161 HydrophobicContact CB-CE3 3.92Å; C44-W161 HydrophobicContact CB-CG 4.44Å; C44-W161 HydrophobicContact CB-CH2 4.41Å; C44-W161 HydrophobicContact CB-CZ2 4.36Å; C44-W161 HydrophobicContact CB-CZ3 4.19Å
45E80.1Confident89.2Confident82 Ų8227.4 Ų27.438%0.38315%0.147SC..THydrogen-bonded Turntrans36.531.7176.8-56.9-175.7177.500117Y47 H64 T160E45-Y47 VanDerWaalsContact C-N 3.29Å; E45-Y47 HydrophobicContact CB-CD1 3.88Å; E45-Y47 HydrophobicContact CB-CE1 3.77Å; E45-Y47 HydrophobicContact CG-CE1 4.49Å; E45-Y47 PolarHBondContact O-N 3Å; E45-H64 IonicContact OE2-NE2 3.8Å; E45-T160 WeakPolarHBondContact CG-OG1 2.94Å; E45-T160 WeakPolarHBondContact OE1-CB 3.44Å; E45-T160 WeakPolarHBondContact OE1-CG2 3.41Å; E45-T160 PolarHBondContact OE1-OG1 2.65Å
46G78Confident89Confident30 Ų3027.6 Ų27.631%0.30915%0.148SC..THydrogen-bonded Turntrans70.114.4179.300000115.8C44 Y58C44-G46 PolarHBondContact O-N 3.15Å; G46-Y58 VanDerWaalsContact C-CD2 3.47Å; G46-Y58 WeakPolarHBondContact O-CB 3.47Å; G46-Y58 VanDerWaalsContact O-CD2 3.26Å; G46-Y58 WeakPolarHBondContact O-CD2 3.45Å
47Y82.7Confident88.8Confident11 Ų1126.7 Ų26.74%0.04314%0.144CC..THydrogen-bonded Turntrans-108.1-27.9173.164.4-98.7000113C44 E45 T57 Y58 H64C44-Y47 HydrophobicContact CB-CE1 4.34Å; C44-Y47 HydrophobicContact CB-CE2 4.29Å; C44-Y47 VanDerWaalsContact O-CD1 3.28Å; C44-Y47 WeakPolarHBondContact O-CD1 3.38Å; C44-Y47 PolarHBondContact O-N 3.11Å; C44-Y47 PolarHBondContact SG-OH 3.27Å; E45-Y47 VanDerWaalsContact C-N 3.29Å; E45-Y47 HydrophobicContact CB-CD1 3.88Å; E45-Y47 HydrophobicContact CB-CE1 3.77Å; E45-Y47 HydrophobicContact CG-CE1 4.49Å; E45-Y47 PolarHBondContact O-N 3Å; Y47-T57 WeakPolarHBondContact O-CG2 3.22Å; Y47-Y58 VanDerWaalsContact C-CD2 3.43Å; Y47-Y58 PolarHBondContact O-N 3.32Å; Y47-H64 HydrophobicContact CD1-CB 4.16Å; Y47-H64 HydrophobicContact CE1-CB 4.16Å
48F86.2Confident88.5Confident5 Ų526.1 Ų26.12%0.02213%0.129CC..EExtended strand (participates in β ladder)trans-135.1142.9-179.5-173.4-95.7000111.4K43 C44 E55 A70 I81 W161K43-F48 CarbonylContact C-O 3.16Å; K43-F48 WeakPolarHBondContact CA-O 3.37Å; C44-F48 HydrophobicContact CB-CB 4.4Å; C44-F48 PolarHBondContact N-O 3.45Å; C44-F48 PolarHBondContact O-N 3.27Å; F48-E55 HydrophobicContact CE1-CB 4.48Å; F48-E55 HydrophobicContact CE2-CB 4.25Å; F48-E55 HydrophobicContact CE2-CG 4.34Å; F48-E55 HydrophobicContact CZ-CB 3.71Å; F48-E55 HydrophobicContact CZ-CG 4.08Å; F48-A70 HydrophobicContact CD2-CB 4.18Å; F48-A70 HydrophobicContact CE2-CB 3.99Å; F48-I81 HydrophobicContact CE1-CD1 4.27Å; F48-W161 AromaticContact CD1-CH2 3.42Å; F48-W161 HydrophobicContact CD1-CH2 3.42Å; F48-W161 VanDerWaalsContact CD1-CH2 3.42Å; F48-W161 HydrophobicContact CD1-CZ2 4.45Å; F48-W161 AromaticContact CD1-CZ3 3.75Å; F48-W161 HydrophobicContact CD1-CZ3 3.75Å; F48-W161 AromaticContact CE1-CH2 3.52Å; F48-W161 HydrophobicContact CE1-CH2 3.52Å; F48-W161 AromaticContact CE1-CZ3 3.97Å; F48-W161 HydrophobicContact CE1-CZ3 3.97Å
49K89.3Confident88.2Confident64 Ų6428.2 Ų28.228%0.27815%0.149SC..EExtended strand (participates in β ladder)trans-138.2145.6172.262.6-179.6-179.4-178.90110.7C39 L42 E55 C56 Y58C39-K49 HydrophobicContact CB-CD 4.41Å; C39-K49 HydrophobicContact CB-CG 4.46Å; L42-K49 CarbonylContact O-C 3.28Å; L42-K49 VanDerWaalsContact O-CA 3.23Å; L42-K49 WeakPolarHBondContact O-CA 3.33Å; K49-E55 WeakPolarHBondContact O-CA 3.48Å; K49-C56 HydrophobicContact CD-CB 4.42Å; K49-C56 HydrophobicContact CG-CB 3.93Å; K49-C56 WeakPolarHBondContact CG-O 3.45Å; K49-C56 PolarHBondContact N-O 2.96Å; K49-C56 PolarHBondContact O-N 3.29Å; K49-C56 VanDerWaalsContact O-O 3.11Å; K49-Y58 HydrophobicContact CB-CE2 3.91Å; K49-Y58 HydrophobicContact CD-CE2 4.18Å; K49-Y58 HydrophobicContact CG-CE2 4.09Å
50S89.4Confident87.9Confident0 Ų034.5 Ų34.50%018%0.181CC..EExtended strand (participates in β ladder)trans-130.9133.7176.8-161.20000110.9C39 W41 L42C39-S50 CarbonylContact O-C 3.59Å; C39-S50 PolarHBondContact O-N 3.29Å; W41-S50 WeakPolarHBondContact CB-O 3.07Å; W41-S50 PolarHBondContact N-O 3.07Å; W41-S50 VanDerWaalsContact N-O 3.13Å; L42-S50 PolarHBondContact N-O 3.01Å; L42-S50 PolarHBondContact O-N 3.45Å
51G90.9Very high87.1Confident1 Ų136 Ų361%0.0119%0.19CC..  trans-95.5-166164.600000111.3C39 Q54C39-G51 PolarHBondContact O-N 2.97Å; G51-Q54 WeakPolarHBondContact CA-O 3.25Å; G51-Q54 PolarHBondContact N-O 3.17Å
52I89.9Confident86Confident0 Ų045 Ų450%023%0.225CC..SBendtrans-73-37.8174.7-66.8-63.1000111.9W41 V82 T90 A91 F145W41-I52 HydrophobicContact CD2-CD1 3.78Å; W41-I52 HydrophobicContact CD2-CG1 3.67Å; W41-I52 VanDerWaalsContact CE2-CG1 3.47Å; W41-I52 HydrophobicContact CE3-CD1 3.59Å; W41-I52 HydrophobicContact CE3-CG1 4.02Å; W41-I52 HydrophobicContact CG-CG1 4.2Å; W41-I52 HydrophobicContact CH2-CD1 3.99Å; W41-I52 HydrophobicContact CH2-CG1 4.09Å; W41-I52 HydrophobicContact CZ2-CD1 4.12Å; W41-I52 HydrophobicContact CZ2-CG1 3.7Å; W41-I52 HydrophobicContact CZ3-CD1 3.7Å; W41-I52 HydrophobicContact CZ3-CG1 4.22Å; I52-V82 VanDerWaalsContact O-CG2 3.25Å; I52-V82 WeakPolarHBondContact O-CG2 3.4Å; I52-T90 HydrophobicContact CD1-CG2 3.96Å; I52-A91 HydrophobicContact CG2-CB 3.4Å; I52-F145 HydrophobicContact CD1-CD2 4.46Å; I52-F145 HydrophobicContact CD1-CE2 4.08Å
53F91Very high84.6Confident74 Ų7456.4 Ų56.433%0.32527%0.269SS..SBendtrans-110.7-27.4-175.2-59.7-71.4000113.7L36 S79 A91 V95L36-F53 HydrophobicContact CB-CE2 4.29Å; L36-F53 HydrophobicContact CD2-CE2 3.95Å; F53-S79 PolarHBondContact O-N 3.35Å; F53-A91 HydrophobicContact CE1-CB 3.84Å; F53-A91 HydrophobicContact CZ-CB 4Å; F53-V95 HydrophobicContact CZ-CG2 3.96Å
54Q91Very high83.5Confident94 Ų9458.4 Ų58.444%0.43928%0.279SS..EExtended strand (participates in β ladder)trans-132.3143.3-172.4-71-176.1-20.300111.3G51 Q77G51-Q54 WeakPolarHBondContact CA-O 3.25Å; G51-Q54 PolarHBondContact N-O 3.17Å; Q54-Q77 WeakPolarHBondContact CA-O 3.32Å
55E90.8Very high82.7Confident1 Ų163.6 Ų63.61%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-116.5144.2172.370-166.5-153.400109.7F48 K49 C76 Q77 S79 R80F48-E55 HydrophobicContact CE1-CB 4.48Å; F48-E55 HydrophobicContact CE2-CB 4.25Å; F48-E55 HydrophobicContact CE2-CG 4.34Å; F48-E55 HydrophobicContact CZ-CB 3.71Å; F48-E55 HydrophobicContact CZ-CG 4.08Å; K49-E55 WeakPolarHBondContact O-CA 3.48Å; E55-C76 CarbonylContact O-C 3.56Å; E55-C76 VanDerWaalsContact O-CA 3.28Å; E55-C76 WeakPolarHBondContact O-CA 3.26Å; E55-Q77 HydrophobicContact CG-CG 3.7Å; E55-Q77 PolarHBondContact N-O 2.93Å; E55-Q77 PolarHBondContact O-N 3.46Å; E55-Q77 PolarHBondContact OE1-NE2 3.48Å; E55-S79 VanDerWaalsContact OE2-CA 3.3Å; E55-S79 WeakPolarHBondContact OE2-CA 3.38Å; E55-S79 PolarHBondContact OE2-OG 3.49Å; E55-R80 IonicContact OE1-CZ 3.79Å; E55-R80 IonicContact OE1-NE 3.1Å; E55-R80 PolarHBondContact OE1-NE 3.19Å; E55-R80 VanDerWaalsContact OE1-NE 3.1Å; E55-R80 IonicContact OE1-NH2 3.58Å; E55-R80 PolarHBondContact OE2-N 3.48Å
56C90.7Very high82.5Confident3 Ų362.3 Ų62.32%0.0231%0.311CS..EExtended strand (participates in β ladder)trans-139.1148.4-176.5-52.70000111.4C39 K49 Q75 C76C39-C56 PolarHBondContact SG-SG 3.21Å; K49-C56 HydrophobicContact CD-CB 4.42Å; K49-C56 HydrophobicContact CG-CB 3.93Å; K49-C56 WeakPolarHBondContact CG-O 3.45Å; K49-C56 PolarHBondContact N-O 2.96Å; K49-C56 PolarHBondContact O-N 3.29Å; K49-C56 VanDerWaalsContact O-O 3.11Å; C56-Q75 WeakPolarHBondContact CA-O 3.41Å; C56-C76 HydrophobicContact CB-CB 4.05Å; C56-C76 WeakPolarHBondContact CB-SG 3.39Å; C56-C76 WeakPolarHBondContact SG-CB 3.46Å; C56-C76 CovalentContact SG-SG 2.03Å; C56-C76 PolarHBondContact SG-SG 3.41Å
57T90.2Very high82.3Confident3 Ų362.8 Ų62.82%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-98.6138.5170-56.40000109Y47 P61 L66 P71 G74 Q75Y47-T57 WeakPolarHBondContact O-CG2 3.22Å; T57-P61 HydrophobicContact CG2-CB 4.45Å; T57-P61 HydrophobicContact CG2-CG 4.5Å; T57-L66 HydrophobicContact CG2-CD2 3.45Å; T57-L66 VanDerWaalsContact CG2-CD2 3.45Å; T57-L66 HydrophobicContact CG2-CG 4.13Å; T57-P71 WeakPolarHBondContact CB-O 3.45Å; T57-P71 PolarHBondContact OG1-O 3.25Å; T57-G74 WeakPolarHBondContact O-CA 3.48Å; T57-G74 PolarHBondContact O-N 3.43Å; T57-Q75 PolarHBondContact N-O 3.05Å; T57-Q75 VanDerWaalsContact N-O 3.14Å
58Y87.7Confident82Confident73 Ų7369.7 Ų69.729%0.28635%0.346SS..  trans-62.6151.9173.9-73.9-102.4000110.8G46 Y47 K49 N60 P61 G74G46-Y58 VanDerWaalsContact C-CD2 3.47Å; G46-Y58 WeakPolarHBondContact O-CB 3.47Å; G46-Y58 VanDerWaalsContact O-CD2 3.26Å; G46-Y58 WeakPolarHBondContact O-CD2 3.45Å; Y47-Y58 VanDerWaalsContact C-CD2 3.43Å; Y47-Y58 PolarHBondContact O-N 3.32Å; K49-Y58 HydrophobicContact CB-CE2 3.91Å; K49-Y58 HydrophobicContact CD-CE2 4.18Å; K49-Y58 HydrophobicContact CG-CE2 4.09Å; Y58-N60 VanDerWaalsContact C-N 3.29Å; Y58-N60 PolarHBondContact O-N 2.99Å; Y58-P61 WeakPolarHBondContact O-CD 3.02Å; Y58-G74 PolarHBondContact O-N 3.27Å
59A86.3Confident81.7Confident68 Ų6871.8 Ų71.856%0.56237%0.369SS*.SBendtrans-62.9-35.7-177.100000112.9P61A59-P61 WeakPolarHBondContact O-CD 3.33Å
60N83.7Confident81.3Confident148 Ų14869.6 Ų69.679%0.79136%0.363SS*.SBendtrans-121.677.4176.7-65.3-43.1000109Y58 R62Y58-N60 VanDerWaalsContact C-N 3.29Å; Y58-N60 PolarHBondContact O-N 2.99Å; N60-R62 PolarHBondContact O-N 3.5Å
61P74.7Confident81.2Confident37 Ų3770 Ų7024%0.2437%0.366CS..  trans-63.7125.617728-31.2000108T57 Y58 A59 L66 P73T57-P61 HydrophobicContact CG2-CB 4.45Å; T57-P61 HydrophobicContact CG2-CG 4.5Å; Y58-P61 WeakPolarHBondContact O-CD 3.02Å; A59-P61 WeakPolarHBondContact O-CD 3.33Å; P61-L66 HydrophobicContact CB-CD1 4.45Å; P61-L66 HydrophobicContact CG-CD1 4.33Å; P61-P73 HydrophobicContact CG-CB 4.38Å; P61-P73 HydrophobicContact CG-CG 4.21Å
62R69.9Low81Confident191 Ų19172.9 Ų72.972%0.72139%0.389SS*.  trans-60.8143.6170-61.4-172.1-159.9-158.16.1107.9N60 H64N60-R62 PolarHBondContact O-N 3.5Å; R62-H64 PolarHBondContact O-N 2.97Å
63Y60Low80.8Confident241 Ų24176.2 Ų76.295%0.94541%0.411SS*.SBendtrans-40.755.9-170-61.7-84.5000118.4
64H65.2Low80.7Confident101 Ų10174.6 Ų74.647%0.46842%0.415SS..  trans-119.4138.8174.9-84.2-67.5000109.3E45 Y47 R62 L66E45-H64 IonicContact OE2-NE2 3.8Å; Y47-H64 HydrophobicContact CD1-CB 4.16Å; Y47-H64 HydrophobicContact CE1-CB 4.16Å; R62-H64 PolarHBondContact O-N 2.97Å; H64-L66 PolarHBondContact O-N 3.37Å; H64-L66 VanDerWaalsContact O-N 3.14Å
65S69.5Low80.7Confident108 Ų10875.8 Ų75.876%0.75542%0.421SS*.PPolyproline II helixtrans-57.3116.316948.40000108.5
66L75.4Confident80.7Confident55 Ų5578.9 Ų78.929%0.28844%0.442SS..PPolyproline II helixtrans-58.2148.1174-7774000109.5T57 P61 H64 N68 A70T57-L66 HydrophobicContact CG2-CD2 3.45Å; T57-L66 VanDerWaalsContact CG2-CD2 3.45Å; T57-L66 HydrophobicContact CG2-CG 4.13Å; P61-L66 HydrophobicContact CB-CD1 4.45Å; P61-L66 HydrophobicContact CG-CD1 4.33Å; H64-L66 PolarHBondContact O-N 3.37Å; H64-L66 VanDerWaalsContact O-N 3.14Å; L66-N68 PolarHBondContact O-N 3.49Å; L66-A70 HydrophobicContact CB-CB 3.98Å; L66-A70 HydrophobicContact CD2-CB 3.92Å; L66-A70 HydrophobicContact CG-CB 4.46Å
67P74.3Confident80.7Confident40 Ų4081.6 Ų81.626%0.2645%0.454SS..PPolyproline II helixtrans-53.3142.9170.9-22.932.2000110.7G69 A70P67-G69 PolarHBondContact O-N 3.38Å; P67-G69 VanDerWaalsContact O-N 3.12Å; P67-A70 VanDerWaalsContact O-CB 3.24Å; P67-A70 WeakPolarHBondContact O-CB 3.32Å; P67-A70 PolarHBondContact O-N 2.9Å
68N75.3Confident80.5Confident157 Ų15788 Ų8884%0.8449%0.486SS*.THydrogen-bonded Turntrans-52.2123-178.8-74.4-23.6000111.2L66 R80L66-N68 PolarHBondContact O-N 3.49Å; N68-R80 VanDerWaalsContact O-CZ 3.25Å; N68-R80 PolarHBondContact O-NH1 3.32Å; N68-R80 PolarHBondContact O-NH2 2.72Å
69G80.5Confident79.9Confident48 Ų4884.8 Ų84.850%0.49547%0.474SS..THydrogen-bonded Turntrans73.614.9-17900000116.1P67 Q77 R80P67-G69 PolarHBondContact O-N 3.38Å; P67-G69 VanDerWaalsContact O-N 3.12Å; G69-Q77 PolarHBondContact O-NE2 2.88Å; G69-R80 PolarHBondContact O-NE 3.26Å; G69-R80 PolarHBondContact O-NH1 3.49Å; G69-R80 PolarHBondContact O-NH2 3.16Å
70A81.7Confident79.3Confident19 Ų1986.3 Ų86.316%0.15747%0.465CS..PPolyproline II helixtrans-57.2151.1166.700000110.4F48 L66 P67 R80F48-A70 HydrophobicContact CD2-CB 4.18Å; F48-A70 HydrophobicContact CE2-CB 3.99Å; L66-A70 HydrophobicContact CB-CB 3.98Å; L66-A70 HydrophobicContact CD2-CB 3.92Å; L66-A70 HydrophobicContact CG-CB 4.46Å; P67-A70 VanDerWaalsContact O-CB 3.24Å; P67-A70 WeakPolarHBondContact O-CB 3.32Å; P67-A70 PolarHBondContact O-N 2.9Å; A70-R80 VanDerWaalsContact N-NH2 3.16Å
71P87.1Confident78.6Confident8 Ų881.2 Ų81.25%0.05244%0.437CS..PPolyproline II helixtrans-64.3157.4178.427.8-32.2000110.5T57 Q75 Q77T57-P71 WeakPolarHBondContact CB-O 3.45Å; T57-P71 PolarHBondContact OG1-O 3.25Å; P71-Q75 HydrophobicContact CB-CB 4.2Å; P71-Q75 WeakPolarHBondContact CG-O 3.46Å; P71-Q77 HydrophobicContact CB-CB 4.25Å; P71-Q77 HydrophobicContact CB-CG 3.96Å; P71-Q77 HydrophobicContact CG-CG 4Å
72A85.9Confident78Confident61 Ų6181.1 Ų81.150%0.50444%0.436SS..PPolyproline II helixtrans-55.8155175.400000111.5G74 Q75A72-G74 PolarHBondContact O-N 3.49Å; A72-Q75 HydrophobicContact CB-CB 4.44Å; A72-Q75 HydrophobicContact CB-CG 4.1Å; A72-Q75 VanDerWaalsContact O-CB 3.31Å; A72-Q75 WeakPolarHBondContact O-CB 3.31Å; A72-Q75 PolarHBondContact O-N 2.95Å
73P87Confident77.9Confident70 Ų7079.6 Ų79.646%0.45544%0.437SS..THydrogen-bonded Turntrans-50.3127.8178.8-28.536000112.9P61 Q75P61-P73 HydrophobicContact CG-CB 4.38Å; P61-P73 HydrophobicContact CG-CG 4.21Å; P73-Q75 PolarHBondContact O-N 3.06Å
74G87.5Confident79.1Confident41 Ų4172 Ų7242%0.42341%0.409SS..THydrogen-bonded Turntrans77.60.4-177.900000115.3T57 Y58 A72T57-G74 WeakPolarHBondContact O-CA 3.48Å; T57-G74 PolarHBondContact O-N 3.43Å; Y58-G74 PolarHBondContact O-N 3.27Å; A72-G74 PolarHBondContact O-N 3.49Å
75Q90.8Very high80.1Confident118 Ų11871.1 Ų71.155%0.55141%0.412SS*.  trans-101.1156.7176.1-59-62.2-47.800111.3C56 T57 P71 A72 P73C56-Q75 WeakPolarHBondContact CA-O 3.41Å; T57-Q75 PolarHBondContact N-O 3.05Å; T57-Q75 VanDerWaalsContact N-O 3.14Å; P71-Q75 HydrophobicContact CB-CB 4.2Å; P71-Q75 WeakPolarHBondContact CG-O 3.46Å; A72-Q75 HydrophobicContact CB-CB 4.44Å; A72-Q75 HydrophobicContact CB-CG 4.1Å; A72-Q75 VanDerWaalsContact O-CB 3.31Å; A72-Q75 WeakPolarHBondContact O-CB 3.31Å; A72-Q75 PolarHBondContact O-N 2.95Å; P73-Q75 PolarHBondContact O-N 3.06Å
76C91.3Very high81.1Confident67 Ų6766.9 Ų66.945%0.45338%0.38SS..EExtended strand (participates in β ladder)trans-121.2147.6174.5-62.30000109.3E55 C56E55-C76 CarbonylContact O-C 3.56Å; E55-C76 VanDerWaalsContact O-CA 3.28Å; E55-C76 WeakPolarHBondContact O-CA 3.26Å; C56-C76 HydrophobicContact CB-CB 4.05Å; C56-C76 WeakPolarHBondContact CB-SG 3.39Å; C56-C76 WeakPolarHBondContact SG-CB 3.46Å; C56-C76 CovalentContact SG-SG 2.03Å; C56-C76 PolarHBondContact SG-SG 3.41Å
77Q90Very high81.8Confident60 Ų6064.3 Ų64.328%0.2837%0.366SS..EExtended strand (participates in β ladder)trans-134.4165.3172.666.9-1757.300110.3Q54 E55 G69 P71 S79Q54-Q77 WeakPolarHBondContact CA-O 3.32Å; E55-Q77 HydrophobicContact CG-CG 3.7Å; E55-Q77 PolarHBondContact N-O 2.93Å; E55-Q77 PolarHBondContact O-N 3.46Å; E55-Q77 PolarHBondContact OE1-NE2 3.48Å; G69-Q77 PolarHBondContact O-NE2 2.88Å; P71-Q77 HydrophobicContact CB-CB 4.25Å; P71-Q77 HydrophobicContact CB-CG 3.96Å; P71-Q77 HydrophobicContact CG-CG 4Å; Q77-S79 PolarHBondContact O-N 3.06Å
78M85.8Confident82.5Confident138 Ų13867.3 Ų67.368%0.6838%0.377SS*.EExtended strand (participates in β ladder)trans-56.7129.4169.1-172.369.887.900108.2R80M78-R80 PolarHBondContact O-N 3.05Å
79S75.7Confident83.3Confident5 Ų564.5 Ų64.54%0.03536%0.361CS..  trans-66.3125.5-171.8175.40000110.2F53 E55 Q77 I81 V82F53-S79 PolarHBondContact O-N 3.35Å; E55-S79 VanDerWaalsContact OE2-CA 3.3Å; E55-S79 WeakPolarHBondContact OE2-CA 3.38Å; E55-S79 PolarHBondContact OE2-OG 3.49Å; Q77-S79 PolarHBondContact O-N 3.06Å; S79-I81 PolarHBondContact O-N 3.13Å; S79-I81 WeakPolarHBondContact OG-CB 3.48Å; S79-I81 PolarHBondContact OG-N 3.25Å; S79-V82 WeakPolarHBondContact O-CB 3.32Å; S79-V82 VanDerWaalsContact O-CG2 3.26Å; S79-V82 WeakPolarHBondContact O-CG2 3.46Å; S79-V82 PolarHBondContact O-N 3.17Å
80R74.6Confident83.9Confident99 Ų9962.2 Ų62.237%0.37434%0.337SS..G310 helixtrans-74.4-21.2175-63.8176.1-62.3146.78110.7E55 N68 G69 A70 M78 V82 E83E55-R80 IonicContact OE1-CZ 3.79Å; E55-R80 IonicContact OE1-NE 3.1Å; E55-R80 PolarHBondContact OE1-NE 3.19Å; E55-R80 VanDerWaalsContact OE1-NE 3.1Å; E55-R80 IonicContact OE1-NH2 3.58Å; E55-R80 PolarHBondContact OE2-N 3.48Å; N68-R80 VanDerWaalsContact O-CZ 3.25Å; N68-R80 PolarHBondContact O-NH1 3.32Å; N68-R80 PolarHBondContact O-NH2 2.72Å; G69-R80 PolarHBondContact O-NE 3.26Å; G69-R80 PolarHBondContact O-NH1 3.49Å; G69-R80 PolarHBondContact O-NH2 3.16Å; A70-R80 VanDerWaalsContact N-NH2 3.16Å; M78-R80 PolarHBondContact O-N 3.05Å; R80-V82 PolarHBondContact O-N 3.45Å; R80-E83 VanDerWaalsContact O-CB 3.32Å; R80-E83 WeakPolarHBondContact O-CB 3.49Å; R80-E83 VanDerWaalsContact O-CG 3.31Å; R80-E83 WeakPolarHBondContact O-CG 3.25Å; R80-E83 PolarHBondContact O-N 3.19Å
81I68.8Low84.5Confident41 Ų4161.8 Ų61.821%0.2133%0.334CS..G310 helixtrans-64.2-19.4172.4-48.5173.1000110.8F48 S79 E83 K84 F87F48-I81 HydrophobicContact CE1-CD1 4.27Å; S79-I81 PolarHBondContact O-N 3.13Å; S79-I81 WeakPolarHBondContact OG-CB 3.48Å; S79-I81 PolarHBondContact OG-N 3.25Å; I81-E83 PolarHBondContact O-N 3.41Å; I81-E83 VanDerWaalsContact O-N 3.08Å; I81-K84 HydrophobicContact CG2-CG 4.35Å; I81-K84 VanDerWaalsContact O-CB 3.3Å; I81-K84 WeakPolarHBondContact O-CB 3.46Å; I81-K84 WeakPolarHBondContact O-CG 3.44Å; I81-K84 PolarHBondContact O-N 2.87Å; I81-F87 HydrophobicContact CB-CE2 4.47Å; I81-F87 HydrophobicContact CB-CZ 4.42Å; I81-F87 HydrophobicContact CG2-CD1 4.42Å; I81-F87 HydrophobicContact CG2-CD2 3.64Å; I81-F87 HydrophobicContact CG2-CE1 4.12Å; I81-F87 HydrophobicContact CG2-CE2 3.26Å; I81-F87 HydrophobicContact CG2-CG 4.21Å; I81-F87 HydrophobicContact CG2-CZ 3.53Å
82V61.2Low84.9Confident36 Ų3664.4 Ų64.422%0.21836%0.356CS..G310 helixtrans-62.8-11.8170.9-176.70000112.3I52 S79 R80 K84 Q88I52-V82 VanDerWaalsContact O-CG2 3.25Å; I52-V82 WeakPolarHBondContact O-CG2 3.4Å; S79-V82 WeakPolarHBondContact O-CB 3.32Å; S79-V82 VanDerWaalsContact O-CG2 3.26Å; S79-V82 WeakPolarHBondContact O-CG2 3.46Å; S79-V82 PolarHBondContact O-N 3.17Å; R80-V82 PolarHBondContact O-N 3.45Å; V82-K84 PolarHBondContact O-N 2.9Å; V82-Q88 HydrophobicContact CG1-CG 4.07Å; V82-Q88 VanDerWaalsContact O-CD 3.3Å; V82-Q88 WeakPolarHBondContact O-CG 3.43Å; V82-Q88 PolarHBondContact O-NE2 3.37Å
83E69.2Low85.4Confident158 Ų15863.3 Ų63.374%0.73834%0.341SS*.G310 helixtrans-67.9-19.4169.4-66.2-179.4-176.900112.5R80 I81R80-E83 VanDerWaalsContact O-CB 3.32Å; R80-E83 WeakPolarHBondContact O-CB 3.49Å; R80-E83 VanDerWaalsContact O-CG 3.31Å; R80-E83 WeakPolarHBondContact O-CG 3.25Å; R80-E83 PolarHBondContact O-N 3.19Å; I81-E83 PolarHBondContact O-N 3.41Å; I81-E83 VanDerWaalsContact O-N 3.08Å
84K83.8Confident85.9Confident82 Ų8260 Ų6036%0.35732%0.32SS..SBendtrans-75.5133.2176.4-62.7-66.9-169.2150.20110.8I81 V82 Y86 F87 Q88 E152I81-K84 HydrophobicContact CG2-CG 4.35Å; I81-K84 VanDerWaalsContact O-CB 3.3Å; I81-K84 WeakPolarHBondContact O-CB 3.46Å; I81-K84 WeakPolarHBondContact O-CG 3.44Å; I81-K84 PolarHBondContact O-N 2.87Å; V82-K84 PolarHBondContact O-N 2.9Å; K84-Y86 VanDerWaalsContact C-N 3.29Å; K84-Y86 HydrophobicContact CB-CD1 3.88Å; K84-Y86 HydrophobicContact CB-CE1 3.6Å; K84-Y86 HydrophobicContact CD-CE1 4.42Å; K84-Y86 HydrophobicContact CG-CE1 4.03Å; K84-Y86 PolarHBondContact O-N 2.91Å; K84-F87 HydrophobicContact CB-CD2 4.21Å; K84-F87 PolarHBondContact O-N 3.07Å; K84-F87 VanDerWaalsContact O-N 3.15Å; K84-Q88 PolarHBondContact O-N 3.31Å; K84-E152 WeakPolarHBondContact CE-OE1 3.49Å; K84-E152 IonicContact NZ-OE1 2.81Å; K84-E152 PolarHBondContact NZ-OE1 3.5Å
85P87.4Confident86.3Confident82 Ų8261.6 Ų61.653%0.53232%0.321SS..Hα-helixtrans-62.1-35.4-17423.7-33.9000112.7F87 Q88 I89P85-F87 VanDerWaalsContact C-N 3.35Å; P85-F87 PolarHBondContact O-N 2.71Å; P85-Q88 PolarHBondContact O-N 2.84Å; P85-I89 WeakPolarHBondContact O-CB 3.37Å; P85-I89 VanDerWaalsContact O-CG1 3.24Å; P85-I89 WeakPolarHBondContact O-CG1 3.34Å; P85-I89 PolarHBondContact O-N 3.48Å
86Y88.8Confident86.6Confident20 Ų2060.7 Ų60.78%0.07832%0.32CS..Hα-helixtrans-69.1-30.9-179.269.3-90.2000112.9K84 T90 F145 C148 E152K84-Y86 VanDerWaalsContact C-N 3.29Å; K84-Y86 HydrophobicContact CB-CD1 3.88Å; K84-Y86 HydrophobicContact CB-CE1 3.6Å; K84-Y86 HydrophobicContact CD-CE1 4.42Å; K84-Y86 HydrophobicContact CG-CE1 4.03Å; K84-Y86 PolarHBondContact O-N 2.91Å; Y86-T90 VanDerWaalsContact O-CB 3.24Å; Y86-T90 WeakPolarHBondContact O-CB 3.4Å; Y86-T90 PolarHBondContact O-N 2.57Å; Y86-T90 PolarHBondContact O-OG1 3.11Å; Y86-F145 HydrophobicContact CD2-CD2 4.31Å; Y86-F145 HydrophobicContact CE2-CD2 4.5Å; Y86-F145 HydrophobicContact CE2-CE2 4.42Å; Y86-C148 HydrophobicContact CD1-CB 4.1Å; Y86-C148 HydrophobicContact CD2-CB 3.81Å; Y86-C148 HydrophobicContact CE2-CB 4.29Å; Y86-C148 HydrophobicContact CG-CB 3.69Å; Y86-E152 WeakPolarHBondContact CE1-OE2 3.24Å; Y86-E152 PolarHBondContact OH-OE2 2.86Å
87F90.2Very high86.9Confident1 Ų157.5 Ų57.50%0.00430%0.298CS..Hα-helixtrans-65.9-45.6171.6-91.5-99.1000111.1L42 I81 K84 P85 T90 A91 F145L42-F87 HydrophobicContact CD1-CZ 3.8Å; I81-F87 HydrophobicContact CB-CE2 4.47Å; I81-F87 HydrophobicContact CB-CZ 4.42Å; I81-F87 HydrophobicContact CG2-CD1 4.42Å; I81-F87 HydrophobicContact CG2-CD2 3.64Å; I81-F87 HydrophobicContact CG2-CE1 4.12Å; I81-F87 HydrophobicContact CG2-CE2 3.26Å; I81-F87 HydrophobicContact CG2-CG 4.21Å; I81-F87 HydrophobicContact CG2-CZ 3.53Å; K84-F87 HydrophobicContact CB-CD2 4.21Å; K84-F87 PolarHBondContact O-N 3.07Å; K84-F87 VanDerWaalsContact O-N 3.15Å; P85-F87 VanDerWaalsContact C-N 3.35Å; P85-F87 PolarHBondContact O-N 2.71Å; F87-T90 PolarHBondContact O-N 3.26Å; F87-A91 WeakPolarHBondContact O-CB 3.23Å; F87-A91 PolarHBondContact O-N 3.28Å; F87-F145 AromaticContact CD1-CE2 3.91Å; F87-F145 HydrophobicContact CD1-CE2 3.91Å; F87-F145 HydrophobicContact CD2-CE2 4.18Å; F87-F145 AromaticContact CE1-CE2 3.56Å; F87-F145 HydrophobicContact CE1-CE2 3.56Å; F87-F145 AromaticContact CE1-CZ 3.87Å; F87-F145 HydrophobicContact CE1-CZ 3.87Å; F87-F145 AromaticContact CE2-CE2 3.86Å; F87-F145 HydrophobicContact CE2-CE2 3.86Å; F87-F145 HydrophobicContact CE2-CZ 4.31Å; F87-F145 HydrophobicContact CG-CE2 4.21Å; F87-F145 AromaticContact CZ-CE2 3.54Å; F87-F145 HydrophobicContact CZ-CE2 3.54Å; F87-F145 AromaticContact CZ-CZ 3.68Å; F87-F145 HydrophobicContact CZ-CZ 3.68Å
88Q90Very high87.3Confident102 Ų10255.1 Ų55.148%0.47729%0.29SS..Hα-helixtrans-62.8-44.7178.6-61.6-178.2-14.300112.1V82 K84 P85 A91 A92V82-Q88 HydrophobicContact CG1-CG 4.07Å; V82-Q88 VanDerWaalsContact O-CD 3.3Å; V82-Q88 WeakPolarHBondContact O-CG 3.43Å; V82-Q88 PolarHBondContact O-NE2 3.37Å; K84-Q88 PolarHBondContact O-N 3.31Å; P85-Q88 PolarHBondContact O-N 2.84Å; Q88-A91 PolarHBondContact O-N 2.86Å; Q88-A92 WeakPolarHBondContact O-CB 3.41Å; Q88-A92 PolarHBondContact O-N 3.4Å
89I92.4Very high87.9Confident98 Ų9851.3 Ų51.350%0.50328%0.28SS..Hα-helixtrans-63.9-44.6177.6-67.1165.8000110.3P85 A91 A92 L93P85-I89 WeakPolarHBondContact O-CB 3.37Å; P85-I89 VanDerWaalsContact O-CG1 3.24Å; P85-I89 WeakPolarHBondContact O-CG1 3.34Å; P85-I89 PolarHBondContact O-N 3.48Å; I89-A91 PolarHBondContact O-N 2.78Å; I89-A92 PolarHBondContact O-N 2.97Å; I89-L93 HydrophobicContact CG2-CD1 3.81Å; I89-L93 HydrophobicContact CG2-CG 4.29Å; I89-L93 WeakPolarHBondContact O-CB 3.36Å; I89-L93 VanDerWaalsContact O-CG 3.29Å; I89-L93 WeakPolarHBondContact O-CG 3.49Å; I89-L93 PolarHBondContact O-N 3.01Å
90T93.7Very high88.9Confident1 Ų152 Ų521%0.00628%0.284CS..Hα-helixtrans-59.5-47.8176.5-59.40000110.8W41 I52 Y86 F87 A92 L93 L94 A141 F145W41-T90 HydrophobicContact CZ3-CG2 4.41Å; I52-T90 HydrophobicContact CD1-CG2 3.96Å; Y86-T90 VanDerWaalsContact O-CB 3.24Å; Y86-T90 WeakPolarHBondContact O-CB 3.4Å; Y86-T90 PolarHBondContact O-N 2.57Å; Y86-T90 PolarHBondContact O-OG1 3.11Å; F87-T90 PolarHBondContact O-N 3.26Å; T90-A92 PolarHBondContact O-N 3.17Å; T90-L93 PolarHBondContact O-N 3.33Å; T90-L94 HydrophobicContact CG2-CD1 3.88Å; T90-L94 WeakPolarHBondContact O-CB 3.35Å; T90-L94 VanDerWaalsContact O-CG 3.28Å; T90-L94 WeakPolarHBondContact O-CG 3.3Å; T90-L94 PolarHBondContact O-N 2.84Å; T90-A141 HydrophobicContact CG2-CB 4.1Å; T90-F145 HydrophobicContact CG2-CB 4.03Å; T90-F145 HydrophobicContact CG2-CD2 3.88Å; T90-F145 HydrophobicContact CG2-CG 4.22Å
91A93.2Very high90.1Very high10 Ų1047.4 Ų47.48%0.08327%0.267CS..Hα-helixtrans-58.7-49.4176.800000111.8I52 F53 F87 Q88 I89 L93 L94 V95I52-A91 HydrophobicContact CG2-CB 3.4Å; F53-A91 HydrophobicContact CE1-CB 3.84Å; F53-A91 HydrophobicContact CZ-CB 4Å; F87-A91 WeakPolarHBondContact O-CB 3.23Å; F87-A91 PolarHBondContact O-N 3.28Å; Q88-A91 PolarHBondContact O-N 2.86Å; I89-A91 PolarHBondContact O-N 2.78Å; A91-L93 PolarHBondContact O-N 3.02Å; A91-L94 PolarHBondContact O-N 2.99Å; A91-V95 WeakPolarHBondContact O-CB 3.27Å; A91-V95 VanDerWaalsContact O-CG2 3.27Å; A91-V95 WeakPolarHBondContact O-CG2 3.29Å; A91-V95 PolarHBondContact O-N 3.48Å
92A94.8Very high91.5Very high62 Ų6250.3 Ų50.351%0.51228%0.282SS..Hα-helixtrans-61.2-44.9-179.600000111.9Q88 I89 T90 L96Q88-A92 WeakPolarHBondContact O-CB 3.41Å; Q88-A92 PolarHBondContact O-N 3.4Å; I89-A92 PolarHBondContact O-N 2.97Å; T90-A92 PolarHBondContact O-N 3.17Å; A92-L96 WeakPolarHBondContact O-CB 3.31Å; A92-L96 PolarHBondContact O-N 3.14Å
93L97.2Very high93.2Very high38 Ų3850.8 Ų50.820%0.19929%0.29CS..Hα-helixtrans-64.2-42.3178.4-74.8173.1000112.3I89 T90 A91 A97 A137 I140 A141I89-L93 HydrophobicContact CG2-CD1 3.81Å; I89-L93 HydrophobicContact CG2-CG 4.29Å; I89-L93 WeakPolarHBondContact O-CB 3.36Å; I89-L93 VanDerWaalsContact O-CG 3.29Å; I89-L93 WeakPolarHBondContact O-CG 3.49Å; I89-L93 PolarHBondContact O-N 3.01Å; T90-L93 PolarHBondContact O-N 3.33Å; A91-L93 PolarHBondContact O-N 3.02Å; L93-A97 VanDerWaalsContact O-CB 3.27Å; L93-A97 WeakPolarHBondContact O-CB 3.5Å; L93-A97 PolarHBondContact O-N 3.37Å; L93-A137 HydrophobicContact CD2-CB 4.35Å; L93-I140 HydrophobicContact CD1-CB 4.18Å; L93-I140 HydrophobicContact CD1-CG2 3.65Å; L93-A141 HydrophobicContact CB-CB 3.9Å; L93-A141 HydrophobicContact CD1-CB 4.22Å
94L97.1Very high94.6Very high1 Ų143.2 Ų43.21%0.00526%0.255CS..Hα-helixtrans-71.3-38.5179.4-67.4172.4000112.4L32 L36 W41 T90 A91 A97 G98 Q138 A141L32-L94 HydrophobicContact CD1-CB 4.31Å; L32-L94 HydrophobicContact CD1-CD2 4.01Å; L36-L94 HydrophobicContact CD1-CB 4.41Å; L36-L94 HydrophobicContact CD2-CB 3.84Å; L36-L94 HydrophobicContact CD2-CD1 4Å; W41-L94 HydrophobicContact CH2-CD1 3.47Å; W41-L94 VanDerWaalsContact CH2-CD1 3.47Å; W41-L94 HydrophobicContact CZ2-CD1 3.83Å; T90-L94 HydrophobicContact CG2-CD1 3.88Å; T90-L94 WeakPolarHBondContact O-CB 3.35Å; T90-L94 VanDerWaalsContact O-CG 3.28Å; T90-L94 WeakPolarHBondContact O-CG 3.3Å; T90-L94 PolarHBondContact O-N 2.84Å; A91-L94 PolarHBondContact O-N 2.99Å; L94-A97 PolarHBondContact O-N 3.29Å; L94-G98 PolarHBondContact O-N 2.93Å; L94-Q138 HydrophobicContact CD2-CG 4.42Å; L94-A141 HydrophobicContact CD1-CB 4.44Å; L94-A141 HydrophobicContact CD2-CB 3.76Å; L94-A141 HydrophobicContact CG-CB 3.76Å
95V96.5Very high95.2Very high75 Ų7540.6 Ų40.646%0.45525%0.245SC..Hα-helixtrans-65.2-44.41741710000110.5L36 F53 A91 A97 G98 A99L36-V95 HydrophobicContact CD1-CG2 4.33Å; F53-V95 HydrophobicContact CZ-CG2 3.96Å; A91-V95 WeakPolarHBondContact O-CB 3.27Å; A91-V95 VanDerWaalsContact O-CG2 3.27Å; A91-V95 WeakPolarHBondContact O-CG2 3.29Å; A91-V95 PolarHBondContact O-N 3.48Å; V95-A97 VanDerWaalsContact C-N 3.35Å; V95-A97 PolarHBondContact O-N 2.97Å; V95-G98 PolarHBondContact O-N 3.41Å; V95-A99 PolarHBondContact O-N 3.3Å
96L97.1Very high95.7Very high98 Ų9838.9 Ų38.951%0.51324%0.241SC..Hα-helixtrans-60.6-45174.7179.664.5000111.1A92 G98 A99 V100A92-L96 WeakPolarHBondContact O-CB 3.31Å; A92-L96 PolarHBondContact O-N 3.14Å; L96-G98 VanDerWaalsContact C-N 3.32Å; L96-G98 PolarHBondContact O-N 2.96Å; L96-A99 PolarHBondContact O-N 3.01Å; L96-V100 HydrophobicContact CD1-CG2 4.33Å; L96-V100 HydrophobicContact CG-CG2 4.49Å; L96-V100 WeakPolarHBondContact O-CB 3.5Å; L96-V100 VanDerWaalsContact O-CG2 3.31Å; L96-V100 WeakPolarHBondContact O-CG2 3.28Å; L96-V100 PolarHBondContact O-N 3.28Å
97A97.8Very high96Very high1 Ų139.3 Ų39.31%0.00825%0.246CC..Hα-helixtrans-59.2-43.5175.900000111.6L93 L94 V95 A99 V100 I101 A137 Q138L93-A97 VanDerWaalsContact O-CB 3.27Å; L93-A97 WeakPolarHBondContact O-CB 3.5Å; L93-A97 PolarHBondContact O-N 3.37Å; L94-A97 PolarHBondContact O-N 3.29Å; V95-A97 VanDerWaalsContact C-N 3.35Å; V95-A97 PolarHBondContact O-N 2.97Å; A97-A99 PolarHBondContact O-N 3.46Å; A97-V100 PolarHBondContact O-N 3.17Å; A97-I101 WeakPolarHBondContact O-CB 3.47Å; A97-I101 VanDerWaalsContact O-CG1 3.23Å; A97-I101 WeakPolarHBondContact O-CG1 3.34Å; A97-I101 PolarHBondContact O-N 2.95Å; A97-A137 HydrophobicContact CB-CB 4.07Å; A97-Q138 HydrophobicContact CB-CG 3.72Å
98G97.9Very high96.2Very high10 Ų1039.3 Ų39.310%0.10325%0.246CC..Hα-helixtrans-61-42.817600000112.9L32 L94 V95 L96 I101 L102L32-G98 VanDerWaalsContact CD2-CA 3.47Å; L94-G98 PolarHBondContact O-N 2.93Å; V95-G98 PolarHBondContact O-N 3.41Å; L96-G98 VanDerWaalsContact C-N 3.32Å; L96-G98 PolarHBondContact O-N 2.96Å; G98-I101 PolarHBondContact O-N 3.37Å; G98-L102 WeakPolarHBondContact O-CB 2.99Å; G98-L102 PolarHBondContact O-N 3.41Å
99A98.2Very high96.4Very high57 Ų5735.5 Ų35.547%0.47123%0.234SC..Hα-helixtrans-64-41.7175.800000112.2V95 L96 A97 L102 A103V95-A99 PolarHBondContact O-N 3.3Å; L96-A99 PolarHBondContact O-N 3.01Å; A97-A99 PolarHBondContact O-N 3.46Å; A99-L102 PolarHBondContact O-N 3.12Å; A99-A103 PolarHBondContact O-N 3.4Å
100V98Very high96.4Very high21 Ų2132.5 Ų32.513%0.12722%0.224CC..Hα-helixtrans-67.9-40.9177.5171.70000111.5L96 A97 A103 S104 L130 I133L96-V100 HydrophobicContact CD1-CG2 4.33Å; L96-V100 HydrophobicContact CG-CG2 4.49Å; L96-V100 WeakPolarHBondContact O-CB 3.5Å; L96-V100 VanDerWaalsContact O-CG2 3.31Å; L96-V100 WeakPolarHBondContact O-CG2 3.28Å; L96-V100 PolarHBondContact O-N 3.28Å; A97-V100 PolarHBondContact O-N 3.17Å; V100-A103 PolarHBondContact O-N 3.41Å; V100-S104 PolarHBondContact O-N 3.24Å; V100-L130 HydrophobicContact CG1-CB 3.9Å; V100-L130 HydrophobicContact CG1-CD2 4.05Å; V100-L130 WeakPolarHBondContact CG1-O 3.27Å; V100-I133 HydrophobicContact CG1-CB 4.3Å; V100-I133 HydrophobicContact CG1-CG2 4.31Å; V100-I133 HydrophobicContact CG2-CG2 4.5Å
101I98.1Very high96.3Very high1 Ų132.5 Ų32.51%0.00522%0.224CC..Hα-helixtrans-63.5-43.6174.5-70.2164.9000110.3L29 L32 A97 G98 A103 S104 I105 T177L29-I101 HydrophobicContact CB-CG2 4.09Å; L32-I101 HydrophobicContact CD2-CD1 4.31Å; A97-I101 WeakPolarHBondContact O-CB 3.47Å; A97-I101 VanDerWaalsContact O-CG1 3.23Å; A97-I101 WeakPolarHBondContact O-CG1 3.34Å; A97-I101 PolarHBondContact O-N 2.95Å; G98-I101 PolarHBondContact O-N 3.37Å; I101-A103 VanDerWaalsContact C-N 3.33Å; I101-A103 PolarHBondContact O-N 3.15Å; I101-S104 WeakPolarHBondContact O-CA 3.42Å; I101-S104 WeakPolarHBondContact O-CB 3.32Å; I101-S104 PolarHBondContact O-N 2.96Å; I101-S104 VanDerWaalsContact O-N 3.09Å; I101-I105 HydrophobicContact CG2-CD1 4.1Å; I101-I105 WeakPolarHBondContact O-CG1 3.5Å; I101-I105 PolarHBondContact O-N 3.02Å; I101-T177 HydrophobicContact CD1-CG2 4.22Å; I101-T177 HydrophobicContact CG1-CG2 4.35Å
102L98.3Very high96.1Very high102 Ų10234.6 Ų34.653%0.53423%0.234SC..Hα-helixtrans-60-42.9175.517964.1000111.9L29 G98 A99 S104 I105 G106L29-L102 HydrophobicContact CD2-CB 4.27Å; L29-L102 HydrophobicContact CD2-CD1 3.84Å; G98-L102 WeakPolarHBondContact O-CB 2.99Å; G98-L102 PolarHBondContact O-N 3.41Å; A99-L102 PolarHBondContact O-N 3.12Å; L102-S104 VanDerWaalsContact C-N 3.32Å; L102-S104 PolarHBondContact O-N 3.16Å; L102-I105 PolarHBondContact O-N 3.27Å; L102-G106 PolarHBondContact O-N 3.29Å; L102-G106 VanDerWaalsContact O-N 3.11Å
103A98.1Very high95.8Very high46 Ų4636.6 Ų36.638%0.3824%0.244SC..Hα-helixtrans-62.1-40.7173.400000111.5A99 V100 I101 G106 V107 L130A99-A103 PolarHBondContact O-N 3.4Å; V100-A103 PolarHBondContact O-N 3.41Å; I101-A103 VanDerWaalsContact C-N 3.33Å; I101-A103 PolarHBondContact O-N 3.15Å; A103-G106 PolarHBondContact O-N 3.11Å; A103-V107 VanDerWaalsContact O-CG2 3.3Å; A103-V107 WeakPolarHBondContact O-CG2 3.33Å; A103-V107 PolarHBondContact O-N 3.49Å; A103-L130 HydrophobicContact CB-CD1 4.09Å
104S97.1Very high95.4Very high0 Ų036.1 Ų36.10%024%0.243CC..Hα-helixtrans-61.6-45.8176.4-162.60000112.4E25 V100 I101 L102 G106 V107 T108 A127 S131E25-S104 PolarHBondContact OE1-OG 3.08Å; V100-S104 PolarHBondContact O-N 3.24Å; I101-S104 WeakPolarHBondContact O-CA 3.42Å; I101-S104 WeakPolarHBondContact O-CB 3.32Å; I101-S104 PolarHBondContact O-N 2.96Å; I101-S104 VanDerWaalsContact O-N 3.09Å; L102-S104 VanDerWaalsContact C-N 3.32Å; L102-S104 PolarHBondContact O-N 3.16Å; S104-G106 VanDerWaalsContact C-N 3.3Å; S104-G106 PolarHBondContact O-N 3.35Å; S104-V107 PolarHBondContact O-N 2.94Å; S104-V107 VanDerWaalsContact O-N 3.16Å; S104-T108 WeakPolarHBondContact O-CB 3.46Å; S104-T108 PolarHBondContact O-N 3.44Å; S104-T108 PolarHBondContact O-OG1 3.44Å; S104-T108 VanDerWaalsContact O-OG1 3.06Å; S104-A127 WeakPolarHBondContact OG-CA 3.15Å; S104-A127 PolarHBondContact OG-O 2.89Å; S104-S131 WeakPolarHBondContact CB-OG 3.31Å; S104-S131 PolarHBondContact OG-OG 2.98Å
105I97.7Very high94.6Very high27 Ų2743.6 Ų43.614%0.13828%0.281CS..Hα-helixtrans-55.5-47.4174.9-69.3167.2000110.6L22 E25 I26 L29 I101 L102 V107 T108 G109L22-I105 HydrophobicContact CD1-CB 4.38Å; L22-I105 HydrophobicContact CD1-CG2 3.87Å; E25-I105 HydrophobicContact CB-CD1 4.1Å; E25-I105 HydrophobicContact CB-CG1 3.52Å; I26-I105 HydrophobicContact CG1-CD1 4.11Å; I26-I105 HydrophobicContact CG1-CG1 4.44Å; I26-I105 HydrophobicContact CG1-CG2 4.2Å; L29-I105 HydrophobicContact CB-CD1 4.06Å; L29-I105 HydrophobicContact CD2-CD1 3.86Å; I101-I105 HydrophobicContact CG2-CD1 4.1Å; I101-I105 WeakPolarHBondContact O-CG1 3.5Å; I101-I105 PolarHBondContact O-N 3.02Å; L102-I105 PolarHBondContact O-N 3.27Å; I105-V107 PolarHBondContact O-N 2.84Å; I105-T108 PolarHBondContact O-N 2.87Å; I105-G109 PolarHBondContact O-N 2.82Å
106G97.1Very high94Very high45 Ų4544.6 Ų44.646%0.46428%0.284SS..Hα-helixtrans-61.6-43.3178.800000112.6L102 A103 S104 G109 A110L102-G106 PolarHBondContact O-N 3.29Å; L102-G106 VanDerWaalsContact O-N 3.11Å; A103-G106 PolarHBondContact O-N 3.11Å; S104-G106 VanDerWaalsContact C-N 3.3Å; S104-G106 PolarHBondContact O-N 3.35Å; G106-G109 PolarHBondContact O-N 2.89Å; G106-A110 WeakPolarHBondContact O-CB 3.43Å; G106-A110 PolarHBondContact O-N 3.16Å
107V96.1Very high93.2Very high30 Ų3045.7 Ų45.718%0.18228%0.282CS..Hα-helixtrans-69.5-42.3178.4173.90000111.7A103 S104 I105 G109 A110 G111 Y123 I126 A127 L130A103-V107 VanDerWaalsContact O-CG2 3.3Å; A103-V107 WeakPolarHBondContact O-CG2 3.33Å; A103-V107 PolarHBondContact O-N 3.49Å; S104-V107 PolarHBondContact O-N 2.94Å; S104-V107 VanDerWaalsContact O-N 3.16Å; I105-V107 PolarHBondContact O-N 2.84Å; V107-G109 VanDerWaalsContact C-N 3.33Å; V107-G109 PolarHBondContact O-N 3.41Å; V107-A110 PolarHBondContact O-N 3.09Å; V107-G111 PolarHBondContact O-N 2.88Å; V107-Y123 HydrophobicContact CG1-CD1 4.05Å; V107-Y123 HydrophobicContact CG1-CG 4.48Å; V107-Y123 WeakPolarHBondContact CG1-O 3.27Å; V107-I126 HydrophobicContact CG1-CB 4.1Å; V107-I126 HydrophobicContact CG1-CG2 4.11Å; V107-I126 HydrophobicContact CG2-CG2 4.33Å; V107-A127 HydrophobicContact CB-CB 4.31Å; V107-A127 HydrophobicContact CG1-CB 3.96Å; V107-L130 HydrophobicContact CG2-CD1 4.24Å
108T94.1Very high92.5Very high0 Ų048.4 Ų48.40%031%0.31CS..Hα-helixtrans-61.2-43.6174.9-62.90000110.7L22 E25 S104 I105 G111 L112 Y124 A127L22-T108 HydrophobicContact CB-CG2 4Å; L22-T108 HydrophobicContact CD1-CG2 3.96Å; L22-T108 HydrophobicContact CG-CG2 4.49Å; E25-T108 PolarHBondContact OE2-OG1 2.83Å; S104-T108 WeakPolarHBondContact O-CB 3.46Å; S104-T108 PolarHBondContact O-N 3.44Å; S104-T108 PolarHBondContact O-OG1 3.44Å; S104-T108 VanDerWaalsContact O-OG1 3.06Å; I105-T108 PolarHBondContact O-N 2.87Å; T108-G111 PolarHBondContact O-N 2.87Å; T108-L112 WeakPolarHBondContact O-CG 3.45Å; T108-L112 PolarHBondContact O-N 2.6Å; T108-Y124 HydrophobicContact CG2-CE1 4.47Å; T108-A127 VanDerWaalsContact OG1-CB 3.25Å; T108-A127 WeakPolarHBondContact OG1-CB 3.25Å
109G93.9Very high91.9Very high22 Ų2252.6 Ų52.623%0.22733%0.327CS..Hα-helixtrans-61.5-46173.800000112.9I105 G106 V107 G111 L112 S113I105-G109 PolarHBondContact O-N 2.82Å; G106-G109 PolarHBondContact O-N 2.89Å; V107-G109 VanDerWaalsContact C-N 3.33Å; V107-G109 PolarHBondContact O-N 3.41Å; G109-G111 VanDerWaalsContact C-N 3.31Å; G109-G111 PolarHBondContact O-N 3.5Å; G109-L112 PolarHBondContact O-N 3.33Å; G109-S113 PolarHBondContact O-N 3.02Å; G109-S113 VanDerWaalsContact O-N 3.17Å; G109-S113 PolarHBondContact O-OG 2.97Å
110A93.5Very high91.4Very high36 Ų3651.6 Ų51.630%0.29831%0.311SS..Hα-helixtrans-61-39.8174.900000112G106 V107 L112 S113 T114 Y123G106-A110 WeakPolarHBondContact O-CB 3.43Å; G106-A110 PolarHBondContact O-N 3.16Å; V107-A110 PolarHBondContact O-N 3.09Å; A110-L112 VanDerWaalsContact C-N 3.33Å; A110-L112 PolarHBondContact O-N 2.97Å; A110-S113 PolarHBondContact O-N 3.49Å; A110-T114 PolarHBondContact O-N 3.5Å; A110-T114 VanDerWaalsContact O-N 3.13Å; A110-T114 PolarHBondContact O-OG1 3.26Å; A110-Y123 HydrophobicContact CB-CE1 4.5Å
111G90.8Very high90.8Very high0 Ų055.5 Ų55.50%032%0.324CS..Hα-helixtrans-61.7-37.8174.800000113.1V107 T108 G109 T114 R120 Y124V107-G111 PolarHBondContact O-N 2.88Å; T108-G111 PolarHBondContact O-N 2.87Å; G109-G111 VanDerWaalsContact C-N 3.31Å; G109-G111 PolarHBondContact O-N 3.5Å; G111-T114 PolarHBondContact O-N 3.43Å; G111-R120 WeakPolarHBondContact O-CD 3.3Å; G111-R120 WeakPolarHBondContact O-CG 3.34Å; G111-Y124 PolarHBondContact O-OH 3.45Å
112L89.4Confident90.4Very high55 Ų5559 Ų5929%0.28834%0.342SS..Hα-helixtrans-68.5-32.9175.6-71.9164.9000113K18 V19 L22 T108 G109 A110 Y124K18-L112 HydrophobicContact CB-CD2 4.15Å; V19-L112 HydrophobicContact CG2-CD2 4.2Å; L22-L112 HydrophobicContact CD2-CD1 3.77Å; T108-L112 WeakPolarHBondContact O-CG 3.45Å; T108-L112 PolarHBondContact O-N 2.6Å; G109-L112 PolarHBondContact O-N 3.33Å; A110-L112 VanDerWaalsContact C-N 3.33Å; A110-L112 PolarHBondContact O-N 2.97Å; L112-Y124 WeakPolarHBondContact CA-OH 3.36Å; L112-Y124 VanDerWaalsContact CD2-OH 3.3Å; L112-Y124 WeakPolarHBondContact CD2-OH 3.28Å; L112-Y124 HydrophobicContact CG-CE1 4.45Å; L112-Y124 PolarHBondContact N-OH 3.21Å
113S88.4Confident90.2Very high104 Ų10458 Ų5873%0.72733%0.332SS*.Hα-helixtrans-83.1-11.7179.3-58.90000113.9G109 A110G109-S113 PolarHBondContact O-N 3.02Å; G109-S113 VanDerWaalsContact O-N 3.17Å; G109-S113 PolarHBondContact O-OG 2.97Å; A110-S113 PolarHBondContact O-N 3.49Å
114T87.7Confident89.9Confident28 Ų2856.1 Ų56.117%0.17232%0.315CS..  trans-85.1127.8-173.9-630000111.7A110 G111 N116 Q119 R120 Y123A110-T114 PolarHBondContact O-N 3.5Å; A110-T114 VanDerWaalsContact O-N 3.13Å; A110-T114 PolarHBondContact O-OG1 3.26Å; G111-T114 PolarHBondContact O-N 3.43Å; T114-N116 HydrophobicContact CG2-CB 4.23Å; T114-Q119 HydrophobicContact CG2-CB 3.73Å; T114-R120 HydrophobicContact CG2-CB 4.38Å; T114-Y123 HydrophobicContact CG2-CE2 4.3Å; T114-Y123 VanDerWaalsContact OG1-CE2 3.32Å; T114-Y123 WeakPolarHBondContact OG1-CE2 3.39Å
115I81.8Confident89.6Confident157 Ų15761.1 Ų61.181%0.80533%0.334SS*.  trans-80.4-34.9178.2-58.1172.3000111.6Y117I115-Y117 PolarHBondContact O-N 2.92Å
116N83.9Confident89.5Confident96 Ų9663.1 Ų63.151%0.51334%0.344SS..  trans-73.4119.9-176.7-66-35.1000112T114 G118 Q119 R120T114-N116 HydrophobicContact CG2-CB 4.23Å; N116-G118 PolarHBondContact O-N 3.24Å; N116-Q119 HydrophobicContact CB-CB 4.25Å; N116-Q119 HydrophobicContact CB-CG 4.4Å; N116-Q119 PolarHBondContact ND2-OE1 3.32Å; N116-Q119 VanDerWaalsContact ND2-OE1 3.11Å; N116-Q119 PolarHBondContact O-N 3.43Å; N116-R120 WeakPolarHBondContact O-CB 3.34Å; N116-R120 PolarHBondContact O-N 3.04Å
117Y79.3Confident89.5Confident122 Ų12261 Ų6148%0.47832%0.322SS..Hα-helixtrans-52.4-49.8-178.9-60.1-75.1000114T12 I115 Q119 R120 Y121T12-Y117 HydrophobicContact CG2-CE1 3.45Å; T12-Y117 VanDerWaalsContact CG2-CE1 3.45Å; T12-Y117 WeakPolarHBondContact CG2-OH 3.3Å; I115-Y117 PolarHBondContact O-N 2.92Å; Y117-Q119 PolarHBondContact O-N 3.34Å; Y117-R120 PolarHBondContact O-N 2.86Å; Y117-Y121 PolarHBondContact O-N 3.48Å
118G82.4Confident89.4Confident58 Ų5860.6 Ų60.660%0.59832%0.319SS*.Hα-helixtrans-63.9-38.8-176.500000113.4N116 L122N116-G118 PolarHBondContact O-N 3.24Å; G118-L122 PolarHBondContact O-N 2.73Å; G118-L122 VanDerWaalsContact O-N 3.17Å
119Q85.4Confident89.5Confident97 Ų9766.6 Ų66.645%0.45334%0.342SS..Hα-helixtrans-72-41.5177.5-73.3177.2-23.500111.2T114 N116 Y117 Y121 L122 Y123T114-Q119 HydrophobicContact CG2-CB 3.73Å; N116-Q119 HydrophobicContact CB-CB 4.25Å; N116-Q119 HydrophobicContact CB-CG 4.4Å; N116-Q119 PolarHBondContact ND2-OE1 3.32Å; N116-Q119 VanDerWaalsContact ND2-OE1 3.11Å; N116-Q119 PolarHBondContact O-N 3.43Å; Y117-Q119 PolarHBondContact O-N 3.34Å; Q119-Y121 PolarHBondContact O-N 2.95Å; Q119-L122 WeakPolarHBondContact O-CB 3.27Å; Q119-L122 PolarHBondContact O-N 2.94Å; Q119-L122 VanDerWaalsContact O-N 3.15Å; Q119-Y123 HydrophobicContact CB-CE2 4.17Å; Q119-Y123 WeakPolarHBondContact O-CD2 3.47Å; Q119-Y123 PolarHBondContact O-N 3.41Å
120R87.6Confident89.7Confident36 Ų3667.4 Ų67.414%0.13634%0.341CS..Hα-helixtrans-57.6-46.9175.6179.4166.8-172.9-149.6-7.6112.1G111 T114 N116 Y117 L122 Y123 Y124G111-R120 WeakPolarHBondContact O-CD 3.3Å; G111-R120 WeakPolarHBondContact O-CG 3.34Å; T114-R120 HydrophobicContact CG2-CB 4.38Å; N116-R120 WeakPolarHBondContact O-CB 3.34Å; N116-R120 PolarHBondContact O-N 3.04Å; Y117-R120 PolarHBondContact O-N 2.86Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 3.48Å; R120-Y123 PolarHBondContact O-N 3.38Å; R120-Y124 HydrophobicContact CG-CD2 3.92Å; R120-Y124 HydrophobicContact CG-CE2 3.35Å; R120-Y124 VanDerWaalsContact NE-CE2 3.3Å; R120-Y124 PolarHBondContact NE-OH 3.46Å; R120-Y124 PolarHBondContact NH2-OH 2.88Å; R120-Y124 WeakPolarHBondContact O-CD2 3.32Å; R120-Y124 PolarHBondContact O-N 3.47Å; R120-Y124 VanDerWaalsContact O-N 3.07Å
121Y85.8Confident89.8Confident104 Ų10465.7 Ų65.741%0.40833%0.327SS..Hα-helixtrans-58.9-44.2174.4175.7-102.6000112.1Y117 Q119 Y124 R125Y117-Y121 PolarHBondContact O-N 3.48Å; Q119-Y121 PolarHBondContact O-N 2.95Å; Y121-Y124 PolarHBondContact O-N 3.22Å; Y121-R125 WeakPolarHBondContact O-CB 3.36Å; Y121-R125 PolarHBondContact O-N 3.47Å
122L90.9Very high90.1Very high73 Ų7369.1 Ų69.138%0.38235%0.345SS..Hα-helixtrans-61.1-46.1177.3-18064.3000111.8G118 Q119 R120 R125 I126G118-L122 PolarHBondContact O-N 2.73Å; G118-L122 VanDerWaalsContact O-N 3.17Å; Q119-L122 WeakPolarHBondContact O-CB 3.27Å; Q119-L122 PolarHBondContact O-N 2.94Å; Q119-L122 VanDerWaalsContact O-N 3.15Å; R120-L122 VanDerWaalsContact C-N 3.34Å; R120-L122 PolarHBondContact O-N 3.48Å; L122-R125 VanDerWaalsContact CD1-NH2 3.27Å; L122-R125 PolarHBondContact O-N 3.13Å; L122-I126 HydrophobicContact CD1-CD1 4.09Å; L122-I126 HydrophobicContact CD1-CG1 4.37Å; L122-I126 HydrophobicContact CG-CD1 3.91Å; L122-I126 WeakPolarHBondContact O-CG1 3.32Å; L122-I126 PolarHBondContact O-N 2.67Å
123Y93Very high90.5Very high81 Ų8171 Ų7132%0.31835%0.354SS..Hα-helixtrans-58.8-51177.7-71.5-53.5000111.3V107 A110 T114 Q119 R120 R125 I126 A127V107-Y123 HydrophobicContact CG1-CD1 4.05Å; V107-Y123 HydrophobicContact CG1-CG 4.48Å; V107-Y123 WeakPolarHBondContact CG1-O 3.27Å; A110-Y123 HydrophobicContact CB-CE1 4.5Å; T114-Y123 HydrophobicContact CG2-CE2 4.3Å; T114-Y123 VanDerWaalsContact OG1-CE2 3.32Å; T114-Y123 WeakPolarHBondContact OG1-CE2 3.39Å; Q119-Y123 HydrophobicContact CB-CE2 4.17Å; Q119-Y123 WeakPolarHBondContact O-CD2 3.47Å; Q119-Y123 PolarHBondContact O-N 3.41Å; R120-Y123 PolarHBondContact O-N 3.38Å; Y123-R125 VanDerWaalsContact C-N 3.26Å; Y123-R125 PolarHBondContact O-N 3.49Å; Y123-I126 PolarHBondContact O-N 2.95Å; Y123-I126 VanDerWaalsContact O-N 3.11Å; Y123-A127 PolarHBondContact O-N 3.26Å
124Y91.6Very high91Very high8 Ų866 Ų663%0.03132%0.32CS..Hα-helixtrans-64.3-31.5179.5-63.6-40.5000113.6K18 T108 G111 L112 R120 Y121 M128K18-Y124 HydrophobicContact CD-CD1 4.4Å; K18-Y124 HydrophobicContact CD-CE1 4.45Å; K18-Y124 HydrophobicContact CD-CG 4.5Å; K18-Y124 HydrophobicContact CG-CE1 4.36Å; K18-Y124 HydrophobicContact CG-CE2 4.26Å; T108-Y124 HydrophobicContact CG2-CE1 4.47Å; G111-Y124 PolarHBondContact O-OH 3.45Å; L112-Y124 WeakPolarHBondContact CA-OH 3.36Å; L112-Y124 VanDerWaalsContact CD2-OH 3.3Å; L112-Y124 WeakPolarHBondContact CD2-OH 3.28Å; L112-Y124 HydrophobicContact CG-CE1 4.45Å; L112-Y124 PolarHBondContact N-OH 3.21Å; R120-Y124 HydrophobicContact CG-CD2 3.92Å; R120-Y124 HydrophobicContact CG-CE2 3.35Å; R120-Y124 VanDerWaalsContact NE-CE2 3.3Å; R120-Y124 PolarHBondContact NE-OH 3.46Å; R120-Y124 PolarHBondContact NH2-OH 2.88Å; R120-Y124 WeakPolarHBondContact O-CD2 3.32Å; R120-Y124 PolarHBondContact O-N 3.47Å; R120-Y124 VanDerWaalsContact O-N 3.07Å; Y121-Y124 PolarHBondContact O-N 3.22Å; Y124-M128 WeakPolarHBondContact O-CB 2.97Å; Y124-M128 PolarHBondContact O-N 3.2Å
125R92.4Very high91.4Very high104 Ų10465.7 Ų65.739%0.39232%0.317SS..Hα-helixtrans-67.1-42.3173.6-172.8176.567.6178.50.8111.5Y121 L122 Y123 M128 Y129Y121-R125 WeakPolarHBondContact O-CB 3.36Å; Y121-R125 PolarHBondContact O-N 3.47Å; L122-R125 VanDerWaalsContact CD1-NH2 3.27Å; L122-R125 PolarHBondContact O-N 3.13Å; Y123-R125 VanDerWaalsContact C-N 3.26Å; Y123-R125 PolarHBondContact O-N 3.49Å; R125-M128 PolarHBondContact O-N 3.43Å; R125-Y129 HydrophobicContact CG-CD2 4.13Å; R125-Y129 HydrophobicContact CG-CE2 3.57Å; R125-Y129 WeakPolarHBondContact O-CD2 3.23Å; R125-Y129 PolarHBondContact O-N 3.01Å
126I95.4Very high92.2Very high69 Ų6962.5 Ų62.535%0.35430%0.3SS..Hα-helixtrans-63.7-48.2175.3-67.8166.7000110.1V107 L122 Y123 M128 Y129 L130V107-I126 HydrophobicContact CG1-CB 4.1Å; V107-I126 HydrophobicContact CG1-CG2 4.11Å; V107-I126 HydrophobicContact CG2-CG2 4.33Å; L122-I126 HydrophobicContact CD1-CD1 4.09Å; L122-I126 HydrophobicContact CD1-CG1 4.37Å; L122-I126 HydrophobicContact CG-CD1 3.91Å; L122-I126 WeakPolarHBondContact O-CG1 3.32Å; L122-I126 PolarHBondContact O-N 2.67Å; Y123-I126 PolarHBondContact O-N 2.95Å; Y123-I126 VanDerWaalsContact O-N 3.11Å; I126-M128 VanDerWaalsContact C-N 3.32Å; I126-M128 PolarHBondContact O-N 2.86Å; I126-Y129 PolarHBondContact O-N 2.9Å; I126-Y129 VanDerWaalsContact O-N 3.17Å; I126-L130 HydrophobicContact CG2-CD1 3.87Å; I126-L130 HydrophobicContact CG2-CG 4.27Å; I126-L130 WeakPolarHBondContact O-CG 3.45Å; I126-L130 PolarHBondContact O-N 2.63Å
127A95.4Very high92.8Very high0 Ų058.4 Ų58.40%028%0.28CS..Hα-helixtrans-55.4-46.117700000111.8S104 V107 T108 Y123 Y129 L130 S131 L184S104-A127 WeakPolarHBondContact OG-CA 3.15Å; S104-A127 PolarHBondContact OG-O 2.89Å; V107-A127 HydrophobicContact CB-CB 4.31Å; V107-A127 HydrophobicContact CG1-CB 3.96Å; T108-A127 VanDerWaalsContact OG1-CB 3.25Å; T108-A127 WeakPolarHBondContact OG1-CB 3.25Å; Y123-A127 PolarHBondContact O-N 3.26Å; A127-Y129 VanDerWaalsContact C-N 3.34Å; A127-Y129 PolarHBondContact O-N 2.91Å; A127-L130 PolarHBondContact O-N 3.28Å; A127-S131 PolarHBondContact O-N 2.96Å; A127-S131 PolarHBondContact O-OG 3.25Å; A127-S131 VanDerWaalsContact O-OG 3.07Å; A127-L184 HydrophobicContact CB-CD1 4.18Å
128M94.8Very high93.7Very high23 Ų2352.6 Ų52.611%0.11326%0.257CS..Hα-helixtrans-55.1-47.1176.8-177-156.4-52.900112.5Y124 R125 I126 S131 L132 L184 I185 K188Y124-M128 WeakPolarHBondContact O-CB 2.97Å; Y124-M128 PolarHBondContact O-N 3.2Å; R125-M128 PolarHBondContact O-N 3.43Å; I126-M128 VanDerWaalsContact C-N 3.32Å; I126-M128 PolarHBondContact O-N 2.86Å; M128-S131 PolarHBondContact O-N 3.4Å; M128-L132 WeakPolarHBondContact O-CB 3.2Å; M128-L132 PolarHBondContact O-N 2.91Å; M128-L184 HydrophobicContact CB-CB 4.25Å; M128-L184 HydrophobicContact CB-CD1 4.42Å; M128-L184 HydrophobicContact CG-CB 4.4Å; M128-I185 HydrophobicContact CG-CG1 3.88Å; M128-I185 HydrophobicContact SD-CG1 3.86Å; M128-K188 HydrophobicContact CE-CD 4.33Å
129Y96.5Very high94.4Very high125 Ų12553.1 Ų53.149%0.4924%0.244SC..Hα-helixtrans-67.8-39178.9-69.3-55.2000112.4R125 I126 A127 L132 I133R125-Y129 HydrophobicContact CG-CD2 4.13Å; R125-Y129 HydrophobicContact CG-CE2 3.57Å; R125-Y129 WeakPolarHBondContact O-CD2 3.23Å; R125-Y129 PolarHBondContact O-N 3.01Å; I126-Y129 PolarHBondContact O-N 2.9Å; I126-Y129 VanDerWaalsContact O-N 3.17Å; A127-Y129 VanDerWaalsContact C-N 3.34Å; A127-Y129 PolarHBondContact O-N 2.91Å; Y129-L132 PolarHBondContact O-N 3.24Å; Y129-I133 WeakPolarHBondContact O-CD1 3.28Å; Y129-I133 VanDerWaalsContact O-CG1 3.26Å; Y129-I133 WeakPolarHBondContact O-CG1 3.4Å; Y129-I133 PolarHBondContact O-N 3.44Å
130L97.6Very high94.9Very high39 Ų3952.3 Ų52.320%0.20424%0.242CC..Hα-helixtrans-61.2-50174.1-68.2172.8000110.6V100 A103 V107 I126 A127 L132 I133 G134V100-L130 HydrophobicContact CG1-CB 3.9Å; V100-L130 HydrophobicContact CG1-CD2 4.05Å; V100-L130 WeakPolarHBondContact CG1-O 3.27Å; A103-L130 HydrophobicContact CB-CD1 4.09Å; V107-L130 HydrophobicContact CG2-CD1 4.24Å; I126-L130 HydrophobicContact CG2-CD1 3.87Å; I126-L130 HydrophobicContact CG2-CG 4.27Å; I126-L130 WeakPolarHBondContact O-CG 3.45Å; I126-L130 PolarHBondContact O-N 2.63Å; A127-L130 PolarHBondContact O-N 3.28Å; L130-L132 VanDerWaalsContact C-N 3.26Å; L130-L132 PolarHBondContact O-N 3.42Å; L130-I133 PolarHBondContact O-N 3.44Å; L130-I133 VanDerWaalsContact O-N 3.14Å; L130-G134 PolarHBondContact O-N 3.39Å
131S96.6Very high95.3Very high1 Ų150.7 Ų50.71%0.00724%0.236CC..Hα-helixtrans-61.2-35.5178.6-54.20000112.2E25 S104 A127 M128 L135E25-S131 PolarHBondContact OE1-OG 3.48Å; S104-S131 WeakPolarHBondContact CB-OG 3.31Å; S104-S131 PolarHBondContact OG-OG 2.98Å; A127-S131 PolarHBondContact O-N 2.96Å; A127-S131 PolarHBondContact O-OG 3.25Å; A127-S131 VanDerWaalsContact O-OG 3.07Å; M128-S131 PolarHBondContact O-N 3.4Å; S131-L135 WeakPolarHBondContact O-CB 3.03Å; S131-L135 PolarHBondContact O-N 2.91Å
132L97Very high95.8Very high72 Ų7245.7 Ų45.738%0.37722%0.217SC..Hα-helixtrans-66.6-43.8174.2-174.763.7000112.5M128 Y129 L130 L135 I136M128-L132 WeakPolarHBondContact O-CB 3.2Å; M128-L132 PolarHBondContact O-N 2.91Å; Y129-L132 PolarHBondContact O-N 3.24Å; L130-L132 VanDerWaalsContact C-N 3.26Å; L130-L132 PolarHBondContact O-N 3.42Å; L132-L135 PolarHBondContact O-N 3.29Å; L132-I136 HydrophobicContact CD1-CD1 4.34Å; L132-I136 HydrophobicContact CG-CD1 4.11Å; L132-I136 VanDerWaalsContact O-CG1 3.31Å; L132-I136 WeakPolarHBondContact O-CG1 3.46Å; L132-I136 PolarHBondContact O-N 2.98Å
133I97.7Very high96Very high94 Ų9445.1 Ų45.148%0.48222%0.216SC..Hα-helixtrans-62.2-45.5176-69.6162.4000110.3V100 Y129 L130 I136 A137V100-I133 HydrophobicContact CG1-CB 4.3Å; V100-I133 HydrophobicContact CG1-CG2 4.31Å; V100-I133 HydrophobicContact CG2-CG2 4.5Å; Y129-I133 WeakPolarHBondContact O-CD1 3.28Å; Y129-I133 VanDerWaalsContact O-CG1 3.26Å; Y129-I133 WeakPolarHBondContact O-CG1 3.4Å; Y129-I133 PolarHBondContact O-N 3.44Å; L130-I133 PolarHBondContact O-N 3.44Å; L130-I133 VanDerWaalsContact O-N 3.14Å; I133-I136 PolarHBondContact O-N 2.85Å; I133-A137 WeakPolarHBondContact O-CB 3.16Å; I133-A137 PolarHBondContact O-N 2.92Å
134G97.5Very high95.9Very high0 Ų044 Ų440%022%0.217CC..Hα-helixtrans-59-47.2176.400000112L130 I136 A137 Q138L130-G134 PolarHBondContact O-N 3.39Å; G134-I136 PolarHBondContact O-N 3.45Å; G134-A137 PolarHBondContact O-N 3.42Å; G134-Q138 WeakPolarHBondContact O-CG 3.29Å; G134-Q138 PolarHBondContact O-N 3.05Å
135L97.8Very high96Very high20 Ų2043.6 Ų43.611%0.10522%0.215CC..Hα-helixtrans-58.6-48.2176.9177.865.6000112.1S131 L132 A137 Q138 Q139 T177 F178S131-L135 WeakPolarHBondContact O-CB 3.03Å; S131-L135 PolarHBondContact O-N 2.91Å; L132-L135 PolarHBondContact O-N 3.29Å; L135-A137 VanDerWaalsContact C-N 3.33Å; L135-A137 PolarHBondContact O-N 3.28Å; L135-Q138 PolarHBondContact O-N 3.43Å; L135-Q139 HydrophobicContact CD1-CG 4.32Å; L135-Q139 WeakPolarHBondContact O-CG 3.37Å; L135-Q139 PolarHBondContact O-N 3.49Å; L135-T177 HydrophobicContact CB-CG2 3.97Å; L135-F178 HydrophobicContact CD1-CB 3.98Å; L135-F178 HydrophobicContact CD2-CB 4.25Å; L135-F178 HydrophobicContact CD2-CD2 3.92Å
136I97.5Very high95.9Very high91 Ų9140 Ų4047%0.46721%0.206SC..Hα-helixtrans-61.6-43.9-179.8-68.2166.2000110.5L132 I133 G134 Q138 Q139 I140L132-I136 HydrophobicContact CD1-CD1 4.34Å; L132-I136 HydrophobicContact CG-CD1 4.11Å; L132-I136 VanDerWaalsContact O-CG1 3.31Å; L132-I136 WeakPolarHBondContact O-CG1 3.46Å; L132-I136 PolarHBondContact O-N 2.98Å; I133-I136 PolarHBondContact O-N 2.85Å; G134-I136 PolarHBondContact O-N 3.45Å; I136-Q138 PolarHBondContact O-N 3.07Å; I136-Q139 PolarHBondContact O-N 3.28Å; I136-I140 HydrophobicContact CG2-CD1 3.83Å; I136-I140 HydrophobicContact CG2-CG1 4.43Å; I136-I140 VanDerWaalsContact O-CG1 3.31Å; I136-I140 WeakPolarHBondContact O-CG1 3.13Å; I136-I140 PolarHBondContact O-N 3.49Å
137A97.2Very high95.8Very high10 Ų1041.1 Ų41.18%0.08321%0.212CC..Hα-helixtrans-61.5-42.5176.600000112.2L93 A97 I133 G134 L135 I140 A141L93-A137 HydrophobicContact CD2-CB 4.35Å; A97-A137 HydrophobicContact CB-CB 4.07Å; I133-A137 WeakPolarHBondContact O-CB 3.16Å; I133-A137 PolarHBondContact O-N 2.92Å; G134-A137 PolarHBondContact O-N 3.42Å; L135-A137 VanDerWaalsContact C-N 3.33Å; L135-A137 PolarHBondContact O-N 3.28Å; A137-I140 PolarHBondContact O-N 2.84Å; A137-A141 WeakPolarHBondContact O-CB 3.42Å; A137-A141 PolarHBondContact O-N 3.36Å
138Q97.5Very high95.5Very high0 Ų043.1 Ų43.10%023%0.225CC..Hα-helixtrans-60.3-45.3173.9-72.2179.8-50.700111.8L94 A97 G134 L135 I136 A141 L142 S173 T177L94-Q138 HydrophobicContact CD2-CG 4.42Å; A97-Q138 HydrophobicContact CB-CG 3.72Å; G134-Q138 WeakPolarHBondContact O-CG 3.29Å; G134-Q138 PolarHBondContact O-N 3.05Å; L135-Q138 PolarHBondContact O-N 3.43Å; I136-Q138 PolarHBondContact O-N 3.07Å; Q138-A141 PolarHBondContact O-N 2.83Å; Q138-L142 WeakPolarHBondContact O-CB 2.88Å; Q138-L142 VanDerWaalsContact O-CG 3.3Å; Q138-L142 WeakPolarHBondContact O-CG 3.44Å; Q138-L142 PolarHBondContact O-N 2.93Å; Q138-S173 PolarHBondContact NE2-OG 2.9Å; Q138-T177 PolarHBondContact OE1-OG1 2.84Å
139Q96.6Very high95.1Very high68 Ų6843 Ų4332%0.31822%0.224SC..Hα-helixtrans-64-44.4-179.7-70.9-58.499.400112.3L135 I136 A141 V143 S174L135-Q139 HydrophobicContact CD1-CG 4.32Å; L135-Q139 WeakPolarHBondContact O-CG 3.37Å; L135-Q139 PolarHBondContact O-N 3.49Å; I136-Q139 PolarHBondContact O-N 3.28Å; Q139-A141 VanDerWaalsContact C-N 3.34Å; Q139-A141 PolarHBondContact O-N 3.44Å; Q139-V143 VanDerWaalsContact O-CB 3.29Å; Q139-V143 WeakPolarHBondContact O-CB 3.42Å; Q139-V143 VanDerWaalsContact O-CG2 3.27Å; Q139-V143 WeakPolarHBondContact O-CG2 3.04Å; Q139-V143 PolarHBondContact O-N 2.93Å; Q139-S174 PolarHBondContact OE1-OG 2.93Å
140I96.5Very high94.6Very high81 Ų8143.8 Ų43.842%0.41523%0.227SC..Hα-helixtrans-59.7-49.5176.3-65.5166.8000109.3L93 I136 A137 V144L93-I140 HydrophobicContact CD1-CB 4.18Å; L93-I140 HydrophobicContact CD1-CG2 3.65Å; I136-I140 HydrophobicContact CG2-CD1 3.83Å; I136-I140 HydrophobicContact CG2-CG1 4.43Å; I136-I140 VanDerWaalsContact O-CG1 3.31Å; I136-I140 WeakPolarHBondContact O-CG1 3.13Å; I136-I140 PolarHBondContact O-N 3.49Å; A137-I140 PolarHBondContact O-N 2.84Å; I140-V144 HydrophobicContact CG2-CG2 4.06Å; I140-V144 WeakPolarHBondContact O-CB 3.24Å; I140-V144 WeakPolarHBondContact O-CG2 3.22Å; I140-V144 PolarHBondContact O-N 2.92Å
141A95.7Very high94Very high1 Ų148.5 Ų48.51%0.00825%0.246CC..Hα-helixtrans-61.2-50.7-179.200000112.6T90 L93 L94 A137 Q138 Q139 V143 F145T90-A141 HydrophobicContact CG2-CB 4.1Å; L93-A141 HydrophobicContact CB-CB 3.9Å; L93-A141 HydrophobicContact CD1-CB 4.22Å; L94-A141 HydrophobicContact CD1-CB 4.44Å; L94-A141 HydrophobicContact CD2-CB 3.76Å; L94-A141 HydrophobicContact CG-CB 3.76Å; A137-A141 WeakPolarHBondContact O-CB 3.42Å; A137-A141 PolarHBondContact O-N 3.36Å; Q138-A141 PolarHBondContact O-N 2.83Å; Q139-A141 VanDerWaalsContact C-N 3.34Å; Q139-A141 PolarHBondContact O-N 3.44Å; A141-V143 VanDerWaalsContact C-N 3.34Å; A141-V143 PolarHBondContact O-N 3.04Å; A141-F145 WeakPolarHBondContact O-CB 3.35Å; A141-F145 PolarHBondContact O-N 2.91Å
142L95.8Very high93.3Very high0 Ų050 Ų500%025%0.253CS..Hα-helixtrans-71.5-26.2-174.4-68.9172.4000113.4W41 Q138 P146 Y167 G170 W171W41-L142 HydrophobicContact CH2-CD2 3.92Å; W41-L142 HydrophobicContact CZ3-CD2 4.37Å; Q138-L142 WeakPolarHBondContact O-CB 2.88Å; Q138-L142 VanDerWaalsContact O-CG 3.3Å; Q138-L142 WeakPolarHBondContact O-CG 3.44Å; Q138-L142 PolarHBondContact O-N 2.93Å; L142-P146 WeakPolarHBondContact O-CD 3.39Å; L142-P146 WeakPolarHBondContact O-CG 3.47Å; L142-Y167 HydrophobicContact CD2-CD2 4.26Å; L142-Y167 HydrophobicContact CD2-CE2 3.96Å; L142-Y167 PolarHBondContact O-OH 3.19Å; L142-G170 WeakPolarHBondContact CD1-O 3.3Å; L142-W171 HydrophobicContact CB-CD2 4.46Å; L142-W171 HydrophobicContact CB-CH2 4.45Å; L142-W171 HydrophobicContact CB-CZ2 3.95Å; L142-W171 HydrophobicContact CD1-CD2 4.13Å; L142-W171 HydrophobicContact CD1-CE3 4.36Å; L142-W171 HydrophobicContact CD1-CG 4.3Å
143V95.4Very high92.3Very high60 Ų6048.8 Ų48.836%0.36425%0.247SC..Hα-helixtrans-87.5-44.8176.3174.70000111.4Q139 A141 F145 P146 L147 W171Q139-V143 VanDerWaalsContact O-CB 3.29Å; Q139-V143 WeakPolarHBondContact O-CB 3.42Å; Q139-V143 VanDerWaalsContact O-CG2 3.27Å; Q139-V143 WeakPolarHBondContact O-CG2 3.04Å; Q139-V143 PolarHBondContact O-N 2.93Å; A141-V143 VanDerWaalsContact C-N 3.34Å; A141-V143 PolarHBondContact O-N 3.04Å; V143-F145 VanDerWaalsContact C-N 3.33Å; V143-F145 PolarHBondContact O-N 3.04Å; V143-P146 VanDerWaalsContact O-CD 3.27Å; V143-P146 WeakPolarHBondContact O-CD 3.38Å; V143-P146 VanDerWaalsContact O-CG 3.32Å; V143-P146 WeakPolarHBondContact O-CG 3.29Å; V143-L147 HydrophobicContact CG1-CD1 3.73Å; V143-L147 HydrophobicContact CG1-CG 4.49Å; V143-L147 WeakPolarHBondContact O-CD1 2.98Å; V143-L147 VanDerWaalsContact O-CG 3.23Å; V143-L147 WeakPolarHBondContact O-CG 3.22Å; V143-L147 PolarHBondContact O-N 2.99Å; V143-W171 HydrophobicContact CG2-CH2 3.81Å; V143-W171 HydrophobicContact CG2-CZ2 4.08Å
144V92.5Very high91Very high57 Ų5749.9 Ų49.935%0.34525%0.25SS..Hα-helixtrans-66.7-37.3-178173.90000111.2I140 L147 C148I140-V144 HydrophobicContact CG2-CG2 4.06Å; I140-V144 WeakPolarHBondContact O-CB 3.24Å; I140-V144 WeakPolarHBondContact O-CG2 3.22Å; I140-V144 PolarHBondContact O-N 2.92Å; V144-L147 PolarHBondContact O-N 3.48Å; V144-C148 PolarHBondContact O-N 3.42Å; V144-C148 PolarHBondContact O-SG 3.47Å
145F92.8Very high89.4Confident0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-53.8-60.5-179.7-179.3-95.8000113.9W41 L42 I52 Y86 F87 T90 A141 V143 L147 C148 F149 L163 Y167W41-F145 HydrophobicContact CE3-CD1 4.06Å; W41-F145 AromaticContact CE3-CE1 3.77Å; W41-F145 HydrophobicContact CE3-CE1 3.77Å; W41-F145 HydrophobicContact CE3-CE2 4.49Å; W41-F145 AromaticContact CE3-CZ 4Å; W41-F145 HydrophobicContact CE3-CZ 4Å; W41-F145 HydrophobicContact CZ3-CD1 4.08Å; W41-F145 HydrophobicContact CZ3-CE1 4.26Å; W41-F145 HydrophobicContact CZ3-CG 4.27Å; L42-F145 HydrophobicContact CD1-CE1 4.34Å; L42-F145 HydrophobicContact CD1-CZ 3.86Å; L42-F145 HydrophobicContact CD2-CE1 4.34Å; L42-F145 HydrophobicContact CG-CE1 4.3Å; L42-F145 HydrophobicContact CG-CZ 4.19Å; I52-F145 HydrophobicContact CD1-CD2 4.46Å; I52-F145 HydrophobicContact CD1-CE2 4.08Å; Y86-F145 HydrophobicContact CD2-CD2 4.31Å; Y86-F145 HydrophobicContact CE2-CD2 4.5Å; Y86-F145 HydrophobicContact CE2-CE2 4.42Å; F87-F145 AromaticContact CD1-CE2 3.91Å; F87-F145 HydrophobicContact CD1-CE2 3.91Å; F87-F145 HydrophobicContact CD2-CE2 4.18Å; F87-F145 AromaticContact CE1-CE2 3.56Å; F87-F145 HydrophobicContact CE1-CE2 3.56Å; F87-F145 AromaticContact CE1-CZ 3.87Å; F87-F145 HydrophobicContact CE1-CZ 3.87Å; F87-F145 AromaticContact CE2-CE2 3.86Å; F87-F145 HydrophobicContact CE2-CE2 3.86Å; F87-F145 HydrophobicContact CE2-CZ 4.31Å; F87-F145 HydrophobicContact CG-CE2 4.21Å; F87-F145 AromaticContact CZ-CE2 3.54Å; F87-F145 HydrophobicContact CZ-CE2 3.54Å; F87-F145 AromaticContact CZ-CZ 3.68Å; F87-F145 HydrophobicContact CZ-CZ 3.68Å; T90-F145 HydrophobicContact CG2-CB 4.03Å; T90-F145 HydrophobicContact CG2-CD2 3.88Å; T90-F145 HydrophobicContact CG2-CG 4.22Å; A141-F145 WeakPolarHBondContact O-CB 3.35Å; A141-F145 PolarHBondContact O-N 2.91Å; V143-F145 VanDerWaalsContact C-N 3.33Å; V143-F145 PolarHBondContact O-N 3.04Å; F145-L147 VanDerWaalsContact C-N 3.3Å; F145-L147 PolarHBondContact O-N 2.99Å; F145-C148 PolarHBondContact O-N 3.11Å; F145-F149 VanDerWaalsContact O-CB 3.3Å; F145-F149 WeakPolarHBondContact O-CB 3.43Å; F145-F149 PolarHBondContact O-N 3.06Å; F145-L163 HydrophobicContact CE1-CD2 4.3Å; F145-Y167 HydrophobicContact CD1-CD2 4.36Å; F145-Y167 HydrophobicContact CD1-CE2 4.22Å
146P91.1Very high87.7Confident29 Ų2961.8 Ų61.819%0.18830%0.301CS..Hα-helixtrans-66.6-29.7178.930.9-40.6000112.8L142 V143 F149 Y150 L163 Y167L142-P146 WeakPolarHBondContact O-CD 3.39Å; L142-P146 WeakPolarHBondContact O-CG 3.47Å; V143-P146 VanDerWaalsContact O-CD 3.27Å; V143-P146 WeakPolarHBondContact O-CD 3.38Å; V143-P146 VanDerWaalsContact O-CG 3.32Å; V143-P146 WeakPolarHBondContact O-CG 3.29Å; P146-F149 PolarHBondContact O-N 2.86Å; P146-Y150 VanDerWaalsContact O-CB 3.32Å; P146-Y150 WeakPolarHBondContact O-CB 3.44Å; P146-Y150 PolarHBondContact O-N 2.81Å; P146-L163 HydrophobicContact CB-CD1 4.39Å; P146-Y167 WeakPolarHBondContact CG-OH 3.45Å
147L91.6Very high85.6Confident92 Ų9267 Ų6748%0.48232%0.321SS..Hα-helixtrans-64.3-51.4177.2-73174.4000111V143 V144 F145 F149 Y150 F151V143-L147 HydrophobicContact CG1-CD1 3.73Å; V143-L147 HydrophobicContact CG1-CG 4.49Å; V143-L147 WeakPolarHBondContact O-CD1 2.98Å; V143-L147 VanDerWaalsContact O-CG 3.23Å; V143-L147 WeakPolarHBondContact O-CG 3.22Å; V143-L147 PolarHBondContact O-N 2.99Å; V144-L147 PolarHBondContact O-N 3.48Å; F145-L147 VanDerWaalsContact C-N 3.3Å; F145-L147 PolarHBondContact O-N 2.99Å; L147-F149 VanDerWaalsContact C-N 3.29Å; L147-F149 PolarHBondContact O-N 2.74Å; L147-Y150 PolarHBondContact O-N 2.76Å; L147-F151 WeakPolarHBondContact O-CD2 3.3Å; L147-F151 PolarHBondContact O-N 3.38Å
148C89.7Confident83.9Confident42 Ų4270.1 Ų70.128%0.28435%0.354SS..Hα-helixtrans-61.9-40.1175.5-69.80000111.7Y86 V144 F145 Y150 F151 E152Y86-C148 HydrophobicContact CD1-CB 4.1Å; Y86-C148 HydrophobicContact CD2-CB 3.81Å; Y86-C148 HydrophobicContact CE2-CB 4.29Å; Y86-C148 HydrophobicContact CG-CB 3.69Å; V144-C148 PolarHBondContact O-N 3.42Å; V144-C148 PolarHBondContact O-SG 3.47Å; F145-C148 PolarHBondContact O-N 3.11Å; C148-Y150 PolarHBondContact O-N 3.18Å; C148-F151 PolarHBondContact O-N 3.29Å; C148-E152 PolarHBondContact O-N 3.06Å
149F87Confident82.5Confident21 Ų2172.2 Ų72.29%0.09237%0.368CS..Hα-helixtrans-62.4-41.2177.2-178-114000112.6L42 F145 P146 L147 F151 E152 L153 W161L42-F149 HydrophobicContact CD1-CD2 4.07Å; L42-F149 HydrophobicContact CD1-CE2 3.78Å; L42-F149 HydrophobicContact CD1-CZ 4.1Å; L42-F149 HydrophobicContact CD2-CD1 3.99Å; L42-F149 HydrophobicContact CD2-CE1 3.57Å; L42-F149 HydrophobicContact CD2-CE2 4.18Å; L42-F149 HydrophobicContact CD2-CG 4.44Å; L42-F149 HydrophobicContact CD2-CZ 3.7Å; L42-F149 HydrophobicContact CG-CZ 4.49Å; F145-F149 VanDerWaalsContact O-CB 3.3Å; F145-F149 WeakPolarHBondContact O-CB 3.43Å; F145-F149 PolarHBondContact O-N 3.06Å; P146-F149 PolarHBondContact O-N 2.86Å; L147-F149 VanDerWaalsContact C-N 3.29Å; L147-F149 PolarHBondContact O-N 2.74Å; F149-F151 PolarHBondContact O-N 3.41Å; F149-E152 PolarHBondContact O-N 2.9Å; F149-E152 VanDerWaalsContact O-N 3.16Å; F149-L153 HydrophobicContact CD1-CD1 3.52Å; F149-L153 HydrophobicContact CD1-CG 4.15Å; F149-L153 HydrophobicContact CE1-CD1 3.27Å; F149-L153 HydrophobicContact CE1-CD2 4.13Å; F149-L153 HydrophobicContact CE1-CG 3.79Å; F149-L153 HydrophobicContact CE2-CG 4.34Å; F149-L153 HydrophobicContact CG-CD1 4.34Å; F149-L153 HydrophobicContact CZ-CD1 3.9Å; F149-L153 HydrophobicContact CZ-CD2 3.91Å; F149-L153 HydrophobicContact CZ-CG 3.87Å; F149-L153 WeakPolarHBondContact O-CG 3.42Å; F149-L153 PolarHBondContact O-N 3.41Å; F149-W161 HydrophobicContact CE1-CB 4.1Å; F149-W161 HydrophobicContact CZ-CB 3.58Å; F149-W161 HydrophobicContact CZ-CD2 4.21Å; F149-W161 HydrophobicContact CZ-CE3 4.31Å; F149-W161 AromaticContact CZ-CG 3.94Å; F149-W161 HydrophobicContact CZ-CG 3.94Å
150Y86.2Confident81.6Confident141 Ų14172.4 Ų72.455%0.55337%0.374SS*.Hα-helixtrans-62.6-41.9177.8-176.7-89.1000112.4P146 L147 C148 E152 L153 E154P146-Y150 VanDerWaalsContact O-CB 3.32Å; P146-Y150 WeakPolarHBondContact O-CB 3.44Å; P146-Y150 PolarHBondContact O-N 2.81Å; L147-Y150 PolarHBondContact O-N 2.76Å; C148-Y150 PolarHBondContact O-N 3.18Å; Y150-E152 VanDerWaalsContact C-N 3.27Å; Y150-E152 PolarHBondContact O-N 3.36Å; Y150-L153 WeakPolarHBondContact O-CB 3.27Å; Y150-L153 PolarHBondContact O-N 2.95Å; Y150-E154 WeakPolarHBondContact CE1-OE1 3.5Å
151F84.8Confident81Confident138 Ų13870.3 Ų70.361%0.60536%0.361SS*.Hα-helixtrans-65.5-31.6174.8-69.3-62.4000112.8L147 C148 F149L147-F151 WeakPolarHBondContact O-CD2 3.3Å; L147-F151 PolarHBondContact O-N 3.38Å; C148-F151 PolarHBondContact O-N 3.29Å; F149-F151 PolarHBondContact O-N 3.41Å
152E81.3Confident80.6Confident33 Ų3375.1 Ų75.115%0.15438%0.383CS..Hα-helixtrans-73.5-38.8173.3-71.6-165154.300111.8K84 Y86 C148 F149 Y150 E154 M155K84-E152 WeakPolarHBondContact CE-OE1 3.49Å; K84-E152 IonicContact NZ-OE1 2.81Å; K84-E152 PolarHBondContact NZ-OE1 3.5Å; Y86-E152 WeakPolarHBondContact CE1-OE2 3.24Å; Y86-E152 PolarHBondContact OH-OE2 2.86Å; C148-E152 PolarHBondContact O-N 3.06Å; F149-E152 PolarHBondContact O-N 2.9Å; F149-E152 VanDerWaalsContact O-N 3.16Å; Y150-E152 VanDerWaalsContact C-N 3.27Å; Y150-E152 PolarHBondContact O-N 3.36Å; E152-E154 PolarHBondContact O-N 2.89Å; E152-M155 HydrophobicContact CB-CE 4.06Å; E152-M155 HydrophobicContact CG-CE 3.87Å; E152-M155 VanDerWaalsContact O-CB 3.3Å; E152-M155 WeakPolarHBondContact O-CB 3.32Å; E152-M155 PolarHBondContact O-N 3.16Å
153L76.8Confident80.4Confident46 Ų4678.8 Ų78.824%0.24140%0.403CS..Hα-helixtrans-53.5-37.1-178.7-86.4163.9000114.1F149 Y150 M155 W156 W161F149-L153 HydrophobicContact CD1-CD1 3.52Å; F149-L153 HydrophobicContact CD1-CG 4.15Å; F149-L153 HydrophobicContact CE1-CD1 3.27Å; F149-L153 HydrophobicContact CE1-CD2 4.13Å; F149-L153 HydrophobicContact CE1-CG 3.79Å; F149-L153 HydrophobicContact CE2-CG 4.34Å; F149-L153 HydrophobicContact CG-CD1 4.34Å; F149-L153 HydrophobicContact CZ-CD1 3.9Å; F149-L153 HydrophobicContact CZ-CD2 3.91Å; F149-L153 HydrophobicContact CZ-CG 3.87Å; F149-L153 WeakPolarHBondContact O-CG 3.42Å; F149-L153 PolarHBondContact O-N 3.41Å; Y150-L153 WeakPolarHBondContact O-CB 3.27Å; Y150-L153 PolarHBondContact O-N 2.95Å; L153-M155 PolarHBondContact O-N 3.5Å; L153-M155 VanDerWaalsContact O-N 3.07Å; L153-W156 PolarHBondContact O-N 3.31Å; L153-W161 HydrophobicContact CD2-CB 3.69Å; L153-W161 HydrophobicContact CD2-CG 3.97Å
154E69.4Low80.2Confident118 Ų11877.2 Ų77.255%0.55139%0.392SS*.THydrogen-bonded Turntrans-58.8-21.5177.2-66.5-175.5172.900112.8Y150 E152Y150-E154 WeakPolarHBondContact CE1-OE1 3.5Å; E152-E154 PolarHBondContact O-N 2.89Å
155M64.6Low80.3Confident134 Ų13480.7 Ų80.766%0.6640%0.399SS*.THydrogen-bonded Turntrans-84.8-19.8175.5-59.5-173.9-83.700113.7E152 L153 F157E152-M155 HydrophobicContact CB-CE 4.06Å; E152-M155 HydrophobicContact CG-CE 3.87Å; E152-M155 VanDerWaalsContact O-CB 3.3Å; E152-M155 WeakPolarHBondContact O-CB 3.32Å; E152-M155 PolarHBondContact O-N 3.16Å; L153-M155 PolarHBondContact O-N 3.5Å; L153-M155 VanDerWaalsContact O-N 3.07Å; M155-F157 PolarHBondContact O-N 3Å
156W62.7Low80.4Confident135 Ų13580.7 Ų80.751%0.51140%0.399SS..  trans-97.569.5-176.8-5773.4000110.1L153 G158L153-W156 PolarHBondContact O-N 3.31Å; W156-G158 PolarHBondContact O-N 3.49Å; W156-G158 VanDerWaalsContact O-N 3.12Å
157F52.3Low80.5Confident202 Ų20280.4 Ų80.489%0.88640%0.395SS*.THydrogen-bonded Turntrans-58.6116.4170.1-86.8-87.5000110.3M155M155-F157 PolarHBondContact O-N 3Å
158G62.3Low80.7Confident75 Ų7578 Ų7877%0.77339%0.392SS*.THydrogen-bonded Turntrans115.1-6.6165.400000117.2W156W156-G158 PolarHBondContact O-N 3.49Å; W156-G158 VanDerWaalsContact O-N 3.12Å
159S67.4Low81.1Confident43 Ų4377.5 Ų77.530%0.30139%0.387SS..  trans-117.6121.4176.8-60.10000110.6W161S159-W161 PolarHBondContact O-N 2.87Å
160T77.8Confident81.5Confident72 Ų7276.5 Ų76.544%0.44238%0.383SS..  trans-81106.2174.565.60000109.8C44 E45C44-T160 WeakPolarHBondContact CA-O 3.04Å; C44-T160 PolarHBondContact SG-O 3.48Å; E45-T160 WeakPolarHBondContact CG-OG1 2.94Å; E45-T160 WeakPolarHBondContact OE1-CB 3.44Å; E45-T160 WeakPolarHBondContact OE1-CG2 3.41Å; E45-T160 PolarHBondContact OE1-OG1 2.65Å
161W83.7Confident82.1Confident38 Ų3873.4 Ų73.414%0.14437%0.371CS..EExtended strand (participates in β ladder)trans-96.2138.9171.2-67.983.8000110.5L42 K43 C44 F48 F149 L153 S159L42-W161 HydrophobicContact CB-CE3 4.21Å; L42-W161 HydrophobicContact CB-CZ3 4.31Å; K43-W161 WeakPolarHBondContact O-CA 3.44Å; C44-W161 HydrophobicContact CB-CD2 3.9Å; C44-W161 HydrophobicContact CB-CE3 3.92Å; C44-W161 HydrophobicContact CB-CG 4.44Å; C44-W161 HydrophobicContact CB-CH2 4.41Å; C44-W161 HydrophobicContact CB-CZ2 4.36Å; C44-W161 HydrophobicContact CB-CZ3 4.19Å; F48-W161 AromaticContact CD1-CH2 3.42Å; F48-W161 HydrophobicContact CD1-CH2 3.42Å; F48-W161 VanDerWaalsContact CD1-CH2 3.42Å; F48-W161 HydrophobicContact CD1-CZ2 4.45Å; F48-W161 AromaticContact CD1-CZ3 3.75Å; F48-W161 HydrophobicContact CD1-CZ3 3.75Å; F48-W161 AromaticContact CE1-CH2 3.52Å; F48-W161 HydrophobicContact CE1-CH2 3.52Å; F48-W161 AromaticContact CE1-CZ3 3.97Å; F48-W161 HydrophobicContact CE1-CZ3 3.97Å; F149-W161 HydrophobicContact CE1-CB 4.1Å; F149-W161 HydrophobicContact CZ-CB 3.58Å; F149-W161 HydrophobicContact CZ-CD2 4.21Å; F149-W161 HydrophobicContact CZ-CE3 4.31Å; F149-W161 AromaticContact CZ-CG 3.94Å; F149-W161 HydrophobicContact CZ-CG 3.94Å; L153-W161 HydrophobicContact CD2-CB 3.69Å; L153-W161 HydrophobicContact CD2-CG 3.97Å; S159-W161 PolarHBondContact O-N 2.87Å
162E87.8Confident82.6Confident101 Ų10168.1 Ų68.147%0.47236%0.355SS..EExtended strand (participates in β ladder)trans-130.2145.5179.9-62.3-179.3174.400109.8L42 K43L42-E162 WeakPolarHBondContact CA-O 3.48Å; K43-E162 WeakPolarHBondContact CE-OE2 3.45Å; K43-E162 HydrophobicContact CG-CB 4.07Å; K43-E162 PolarHBondContact N-O 3.39Å; K43-E162 IonicContact NZ-OE2 3.15Å; K43-E162 PolarHBondContact NZ-OE2 2.9Å; K43-E162 PolarHBondContact O-N 3.3Å
163L91Very high83.4Confident78 Ų7866.6 Ų66.641%0.40835%0.348SS..EExtended strand (participates in β ladder)trans-66.5132.6165-68.1164.1000108.5L42 F145 P146 Y167L42-L163 HydrophobicContact CD2-CD2 3.73Å; L42-L163 HydrophobicContact CD2-CG 4.48Å; F145-L163 HydrophobicContact CE1-CD2 4.3Å; P146-L163 HydrophobicContact CB-CD1 4.39Å; L163-Y167 HydrophobicContact CB-CD1 4.18Å; L163-Y167 HydrophobicContact CD1-CD1 3.89Å; L163-Y167 HydrophobicContact CD1-CE1 3.77Å; L163-Y167 HydrophobicContact CD2-CD1 3.95Å; L163-Y167 HydrophobicContact CD2-CD2 4.28Å; L163-Y167 HydrophobicContact CD2-CE1 4.31Å; L163-Y167 HydrophobicContact CD2-CG 3.93Å; L163-Y167 HydrophobicContact CG-CD1 4.23Å
164D92.1Very high84.4Confident26 Ų2664.6 Ų64.614%0.13934%0.338CS..  trans-105169.9-178.2-164.914.4000110.6A40 W41 K43 S166 Y167A40-D164 WeakPolarHBondContact CB-OD2 3.23Å; A40-D164 CarbonylContact O-C 3.5Å; A40-D164 VanDerWaalsContact O-C 3.28Å; A40-D164 VanDerWaalsContact O-CB 3.22Å; A40-D164 WeakPolarHBondContact O-CB 3.45Å; W41-D164 PolarHBondContact O-N 3.49Å; K43-D164 HydrophobicContact CB-CB 4.15Å; K43-D164 HydrophobicContact CD-CB 4.02Å; K43-D164 HydrophobicContact CG-CB 3.97Å; D164-S166 PolarHBondContact O-N 3.42Å; D164-Y167 WeakPolarHBondContact O-CB 3.42Å; D164-Y167 PolarHBondContact O-N 3.01Å; D164-Y167 VanDerWaalsContact O-N 3.11Å
165W94.1Very high85.7Confident131 Ų13163.2 Ų63.250%0.49633%0.333SS..Hα-helixtrans-57.8-29.1-163.764.7-90.8000114.7L34 T38 A40 Y167 G168 V169L34-W165 HydrophobicContact CD2-CZ3 4.43Å; L34-W165 HydrophobicContact CG-CZ3 4.48Å; T38-W165 HydrophobicContact CG2-CH2 3.46Å; T38-W165 VanDerWaalsContact CG2-CH2 3.46Å; T38-W165 HydrophobicContact CG2-CZ2 3.92Å; T38-W165 HydrophobicContact CG2-CZ3 4.39Å; A40-W165 HydrophobicContact CB-CD2 4.41Å; A40-W165 HydrophobicContact CB-CZ2 3.94Å; W165-Y167 VanDerWaalsContact C-N 3.26Å; W165-Y167 PolarHBondContact O-N 3.5Å; W165-G168 WeakPolarHBondContact O-CA 3.47Å; W165-G168 PolarHBondContact O-N 2.93Å; W165-V169 HydrophobicContact CE3-CG2 3.64Å; W165-V169 HydrophobicContact CZ3-CG2 3.79Å; W165-V169 PolarHBondContact O-N 3.37Å
166S94.4Very high87.3Confident0 Ų058.4 Ų58.40%031%0.312CS..Hα-helixtrans-66.4-30.6-178.4-172.20000112.7S35 T38 A40 W41 D164 G168 V169 G170S35-S166 VanDerWaalsContact CA-OG 3.24Å; S35-S166 WeakPolarHBondContact CA-OG 3.3Å; S35-S166 PolarHBondContact O-OG 3.35Å; S35-S166 PolarHBondContact OG-O 2.89Å; S35-S166 PolarHBondContact OG-OG 3.47Å; T38-S166 WeakPolarHBondContact OG1-CB 3.36Å; T38-S166 PolarHBondContact OG1-OG 3.19Å; A40-S166 VanDerWaalsContact C-CB 3.47Å; A40-S166 WeakPolarHBondContact O-CB 3.25Å; A40-S166 PolarHBondContact O-N 2.89Å; W41-S166 PolarHBondContact NE1-OG 3.24Å; D164-S166 PolarHBondContact O-N 3.42Å; S166-G168 VanDerWaalsContact C-N 3.3Å; S166-V169 WeakPolarHBondContact O-CB 3.49Å; S166-V169 PolarHBondContact O-N 2.97Å; S166-G170 PolarHBondContact O-N 2.93Å
167Y94.7Very high89Confident23 Ų2352 Ų529%0.0929%0.288CS..Hα-helixtrans-62.8-41.3172176.1-104.5000110.6W41 L142 F145 P146 L163 D164 W165 V169 G170 W171W41-Y167 AromaticContact CE3-CD2 3.8Å; W41-Y167 HydrophobicContact CE3-CD2 3.8Å; W41-Y167 HydrophobicContact CH2-CD2 4.38Å; W41-Y167 AromaticContact CZ3-CD2 3.64Å; W41-Y167 HydrophobicContact CZ3-CD2 3.64Å; W41-Y167 HydrophobicContact CZ3-CE2 4.24Å; L142-Y167 HydrophobicContact CD2-CD2 4.26Å; L142-Y167 HydrophobicContact CD2-CE2 3.96Å; L142-Y167 PolarHBondContact O-OH 3.19Å; F145-Y167 HydrophobicContact CD1-CD2 4.36Å; F145-Y167 HydrophobicContact CD1-CE2 4.22Å; P146-Y167 WeakPolarHBondContact CG-OH 3.45Å; L163-Y167 HydrophobicContact CB-CD1 4.18Å; L163-Y167 HydrophobicContact CD1-CD1 3.89Å; L163-Y167 HydrophobicContact CD1-CE1 3.77Å; L163-Y167 HydrophobicContact CD2-CD1 3.95Å; L163-Y167 HydrophobicContact CD2-CD2 4.28Å; L163-Y167 HydrophobicContact CD2-CE1 4.31Å; L163-Y167 HydrophobicContact CD2-CG 3.93Å; L163-Y167 HydrophobicContact CG-CD1 4.23Å; D164-Y167 WeakPolarHBondContact O-CB 3.42Å; D164-Y167 PolarHBondContact O-N 3.01Å; D164-Y167 VanDerWaalsContact O-N 3.11Å; W165-Y167 VanDerWaalsContact C-N 3.26Å; W165-Y167 PolarHBondContact O-N 3.5Å; Y167-V169 VanDerWaalsContact C-N 3.33Å; Y167-V169 PolarHBondContact O-N 2.9Å; Y167-G170 WeakPolarHBondContact O-CA 3.37Å; Y167-G170 PolarHBondContact O-N 3.4Å; Y167-G170 VanDerWaalsContact O-N 3.13Å; Y167-W171 AromaticContact CE1-CD1 3.59Å; Y167-W171 AromaticContact CE1-NE1 3.31Å; Y167-W171 VanDerWaalsContact CE1-NE1 3.31Å; Y167-W171 AromaticContact CE2-NE1 3.97Å; Y167-W171 AromaticContact CZ-CD1 3.74Å; Y167-W171 AromaticContact CZ-NE1 3.14Å; Y167-W171 PolarHBondContact O-N 2.61Å; Y167-W171 PolarHBondContact OH-NE1 2.85Å
168G95.3Very high91.1Very high41 Ų4147.8 Ų47.842%0.42327%0.27SS..Hα-helixtrans-62.3-36.7172.300000113.2W165 S166 G170 W171 G172W165-G168 WeakPolarHBondContact O-CA 3.47Å; W165-G168 PolarHBondContact O-N 2.93Å; S166-G168 VanDerWaalsContact C-N 3.3Å; G168-G170 VanDerWaalsContact C-N 3.3Å; G168-G170 PolarHBondContact O-N 3.41Å; G168-W171 WeakPolarHBondContact O-CB 3.38Å; G168-W171 PolarHBondContact O-N 3.23Å; G168-G172 PolarHBondContact O-N 2.9Å
169V96.9Very high92.7Very high31 Ų3149.6 Ų49.619%0.18826%0.256CS..Hα-helixtrans-64.5-35.4173.1176.40000111.6T31 L34 W165 S166 Y167 G172 S173T31-V169 HydrophobicContact CG2-CG1 4.41Å; T31-V169 VanDerWaalsContact O-CG1 3.28Å; T31-V169 WeakPolarHBondContact O-CG1 3.24Å; L34-V169 HydrophobicContact CB-CG1 4.43Å; L34-V169 HydrophobicContact CD2-CG1 4.16Å; L34-V169 HydrophobicContact CG-CG1 4.39Å; W165-V169 HydrophobicContact CE3-CG2 3.64Å; W165-V169 HydrophobicContact CZ3-CG2 3.79Å; W165-V169 PolarHBondContact O-N 3.37Å; S166-V169 WeakPolarHBondContact O-CB 3.49Å; S166-V169 PolarHBondContact O-N 2.97Å; Y167-V169 VanDerWaalsContact C-N 3.33Å; Y167-V169 PolarHBondContact O-N 2.9Å; V169-G172 WeakPolarHBondContact O-CA 3.26Å; V169-G172 PolarHBondContact O-N 2.83Å; V169-G172 VanDerWaalsContact O-N 3.16Å; V169-S173 PolarHBondContact O-N 3.13Å
170G96.6Very high94.1Very high1 Ų147.5 Ų47.51%0.0124%0.242CC..Hα-helixtrans-59-44.6171.700000112.4L142 S166 Y167 G168 G172 S173 S174L142-G170 WeakPolarHBondContact CD1-O 3.3Å; S166-G170 PolarHBondContact O-N 2.93Å; Y167-G170 WeakPolarHBondContact O-CA 3.37Å; Y167-G170 PolarHBondContact O-N 3.4Å; Y167-G170 VanDerWaalsContact O-N 3.13Å; G168-G170 VanDerWaalsContact C-N 3.3Å; G168-G170 PolarHBondContact O-N 3.41Å; G170-G172 VanDerWaalsContact C-N 3.35Å; G170-S173 WeakPolarHBondContact O-CB 3.03Å; G170-S173 PolarHBondContact O-N 3.39Å; G170-S174 PolarHBondContact O-N 2.78Å; G170-S174 VanDerWaalsContact O-N 3.12Å
171W97.3Very high94.9Very high76 Ų7644.3 Ų44.329%0.28822%0.222SC..Hα-helixtrans-62.9-39.1171.7-81.7104.3000113L142 V143 Y167 G168 S173 S174 I175L142-W171 HydrophobicContact CB-CD2 4.46Å; L142-W171 HydrophobicContact CB-CH2 4.45Å; L142-W171 HydrophobicContact CB-CZ2 3.95Å; L142-W171 HydrophobicContact CD1-CD2 4.13Å; L142-W171 HydrophobicContact CD1-CE3 4.36Å; L142-W171 HydrophobicContact CD1-CG 4.3Å; V143-W171 HydrophobicContact CG2-CH2 3.81Å; V143-W171 HydrophobicContact CG2-CZ2 4.08Å; Y167-W171 AromaticContact CE1-CD1 3.59Å; Y167-W171 AromaticContact CE1-NE1 3.31Å; Y167-W171 VanDerWaalsContact CE1-NE1 3.31Å; Y167-W171 AromaticContact CE2-NE1 3.97Å; Y167-W171 AromaticContact CZ-CD1 3.74Å; Y167-W171 AromaticContact CZ-NE1 3.14Å; Y167-W171 PolarHBondContact O-N 2.61Å; Y167-W171 PolarHBondContact OH-NE1 2.85Å; G168-W171 WeakPolarHBondContact O-CB 3.38Å; G168-W171 PolarHBondContact O-N 3.23Å; W171-S173 VanDerWaalsContact C-N 3.28Å; W171-S173 PolarHBondContact O-N 3.37Å; W171-S174 PolarHBondContact O-N 3.33Å; W171-S174 VanDerWaalsContact O-N 3.15Å; W171-I175 WeakPolarHBondContact O-CG1 3.39Å; W171-I175 PolarHBondContact O-N 3.07Å
172G96.9Very high95.4Very high27 Ų2744.3 Ų44.328%0.27823%0.231SC..Hα-helixtrans-56-43.6172.700000112.2G168 V169 G170 I175 C176G168-G172 PolarHBondContact O-N 2.9Å; V169-G172 WeakPolarHBondContact O-CA 3.26Å; V169-G172 PolarHBondContact O-N 2.83Å; V169-G172 VanDerWaalsContact O-N 3.16Å; G170-G172 VanDerWaalsContact C-N 3.35Å; G172-I175 PolarHBondContact O-N 3.35Å; G172-C176 PolarHBondContact O-N 3.15Å; G172-C176 PolarHBondContact O-SG 3.35Å; G172-C176 VanDerWaalsContact O-SG 3.41Å
173S97.6Very high95.7Very high0 Ų041.4 Ų41.40%022%0.218CC..Hα-helixtrans-58.9-49.2173-179.10000112A28 T31 L32 Q138 V169 G170 W171 I175 C176 T177A28-S173 WeakPolarHBondContact O-CB 3.49Å; A28-S173 PolarHBondContact O-OG 3.25Å; T31-S173 VanDerWaalsContact OG1-CA 3.25Å; T31-S173 WeakPolarHBondContact OG1-CA 3.28Å; T31-S173 VanDerWaalsContact OG1-CB 3.25Å; T31-S173 WeakPolarHBondContact OG1-CB 3.5Å; L32-S173 WeakPolarHBondContact CB-OG 3.02Å; Q138-S173 PolarHBondContact NE2-OG 2.9Å; V169-S173 PolarHBondContact O-N 3.13Å; G170-S173 WeakPolarHBondContact O-CB 3.03Å; G170-S173 PolarHBondContact O-N 3.39Å; W171-S173 VanDerWaalsContact C-N 3.28Å; W171-S173 PolarHBondContact O-N 3.37Å; S173-I175 VanDerWaalsContact C-N 3.33Å; S173-I175 PolarHBondContact O-N 2.91Å; S173-C176 WeakPolarHBondContact O-CB 3.26Å; S173-C176 PolarHBondContact O-N 3.22Å; S173-C176 VanDerWaalsContact O-N 3.16Å; S173-T177 PolarHBondContact O-N 2.77Å; S173-T177 PolarHBondContact O-OG1 3.43Å
174S97.5Very high95.7Very high4 Ų437.7 Ų37.73%0.02820%0.199CC..Hα-helixtrans-58.4-43179.3-176.80000112.7Q139 G170 W171 C176 T177 F178Q139-S174 PolarHBondContact OE1-OG 2.93Å; G170-S174 PolarHBondContact O-N 2.78Å; G170-S174 VanDerWaalsContact O-N 3.12Å; W171-S174 PolarHBondContact O-N 3.33Å; W171-S174 VanDerWaalsContact O-N 3.15Å; S174-C176 PolarHBondContact O-N 3.29Å; S174-T177 PolarHBondContact O-N 3.3Å; S174-F178 WeakPolarHBondContact O-CB 3.22Å; S174-F178 PolarHBondContact O-N 3.12Å
175I97.7Very high95.6Very high89 Ų8940.4 Ų40.446%0.45621%0.212SC..Hα-helixtrans-62.4-44.4176.9-67.7166.7000110.7W171 G172 S173 T177 F178 F179W171-I175 WeakPolarHBondContact O-CG1 3.39Å; W171-I175 PolarHBondContact O-N 3.07Å; G172-I175 PolarHBondContact O-N 3.35Å; S173-I175 VanDerWaalsContact C-N 3.33Å; S173-I175 PolarHBondContact O-N 2.91Å; I175-T177 PolarHBondContact O-N 2.61Å; I175-F178 WeakPolarHBondContact O-CB 3.38Å; I175-F178 PolarHBondContact O-N 2.81Å; I175-F179 HydrophobicContact CG2-CD2 3.7Å; I175-F179 HydrophobicContact CG2-CE2 3.55Å; I175-F179 WeakPolarHBondContact O-CD2 3.31Å; I175-F179 PolarHBondContact O-N 3.45Å
176C97.6Very high95.3Very high33 Ų3335.9 Ų35.922%0.22320%0.203CC..Hα-helixtrans-61.7-42.7175.5-71.80000112A28 G172 S173 S174 F178 F179 A180A28-C176 HydrophobicContact CB-CB 3.7Å; G172-C176 PolarHBondContact O-N 3.15Å; G172-C176 PolarHBondContact O-SG 3.35Å; G172-C176 VanDerWaalsContact O-SG 3.41Å; S173-C176 WeakPolarHBondContact O-CB 3.26Å; S173-C176 PolarHBondContact O-N 3.22Å; S173-C176 VanDerWaalsContact O-N 3.16Å; S174-C176 PolarHBondContact O-N 3.29Å; C176-F178 VanDerWaalsContact C-N 3.34Å; C176-F178 PolarHBondContact O-N 3.35Å; C176-F179 PolarHBondContact O-N 2.03Å; C176-A180 PolarHBondContact O-N 2.96Å
177T97.6Very high94.6Very high1 Ų136.5 Ų36.51%0.00621%0.206CC..Hα-helixtrans-61.8-41.9174.9-50.50000111.4A28 I101 L135 Q138 S173 S174 I175 A180 C181A28-T177 WeakPolarHBondContact CB-OG1 3.21Å; I101-T177 HydrophobicContact CD1-CG2 4.22Å; I101-T177 HydrophobicContact CG1-CG2 4.35Å; L135-T177 HydrophobicContact CB-CG2 3.97Å; Q138-T177 PolarHBondContact OE1-OG1 2.84Å; S173-T177 PolarHBondContact O-N 2.77Å; S173-T177 PolarHBondContact O-OG1 3.43Å; S174-T177 PolarHBondContact O-N 3.3Å; I175-T177 PolarHBondContact O-N 2.61Å; T177-A180 PolarHBondContact O-N 2.92Å; T177-C181 WeakPolarHBondContact O-CB 3.38Å; T177-C181 PolarHBondContact O-N 2.99Å
178F97.3Very high93.1Very high113 Ų11341.5 Ų41.550%0.49623%0.229SC..Hα-helixtrans-60.2-48.7176.9173.8-95.4000111.4L135 S174 I175 C176 A180 C181 A182L135-F178 HydrophobicContact CD1-CB 3.98Å; L135-F178 HydrophobicContact CD2-CB 4.25Å; L135-F178 HydrophobicContact CD2-CD2 3.92Å; S174-F178 WeakPolarHBondContact O-CB 3.22Å; S174-F178 PolarHBondContact O-N 3.12Å; I175-F178 WeakPolarHBondContact O-CB 3.38Å; I175-F178 PolarHBondContact O-N 2.81Å; C176-F178 VanDerWaalsContact C-N 3.34Å; C176-F178 PolarHBondContact O-N 3.35Å; F178-A180 PolarHBondContact O-N 3.23Å; F178-C181 PolarHBondContact O-N 2.92Å; F178-A182 WeakPolarHBondContact O-CB 3.36Å; F178-A182 PolarHBondContact O-N 3.48Å
179F96.2Very high91.3Very high113 Ų11347.2 Ų47.250%0.49624%0.244SC..Hα-helixtrans-62.8-42177.3-81.6-66.1000112.3I175 C176 A182 L183I175-F179 HydrophobicContact CG2-CD2 3.7Å; I175-F179 HydrophobicContact CG2-CE2 3.55Å; I175-F179 WeakPolarHBondContact O-CD2 3.31Å; I175-F179 PolarHBondContact O-N 3.45Å; C176-F179 PolarHBondContact O-N 2.03Å; F179-A182 PolarHBondContact O-N 3.46Å; F179-L183 WeakPolarHBondContact O-CB 3.3Å; F179-L183 WeakPolarHBondContact O-CG 3.32Å; F179-L183 PolarHBondContact O-N 3.05Å
180A95.8Very high89.1Confident0 Ų050.4 Ų50.40%025%0.253CS..Hα-helixtrans-57.7-50.4173.500000111.8S21 C24 E25 C176 T177 F178 A182 L183 L184S21-A180 PolarHBondContact OG-O 3.21Å; C24-A180 HydrophobicContact CB-CB 3.92Å; E25-A180 HydrophobicContact CG-CB 3.4Å; E25-A180 VanDerWaalsContact CG-CB 3.4Å; C176-A180 PolarHBondContact O-N 2.96Å; T177-A180 PolarHBondContact O-N 2.92Å; F178-A180 PolarHBondContact O-N 3.23Å; A180-A182 VanDerWaalsContact C-N 3.35Å; A180-A182 PolarHBondContact O-N 3.21Å; A180-L183 PolarHBondContact O-N 2.92Å; A180-L184 WeakPolarHBondContact O-CG 3.43Å; A180-L184 PolarHBondContact O-N 3.08Å
181C95.2Very high87.1Confident4 Ų454.9 Ų54.93%0.02727%0.274CS..Hα-helixtrans-59.1-45.4178-170.50000111.7T177 F178 L183 L184 I185T177-C181 WeakPolarHBondContact O-CB 3.38Å; T177-C181 PolarHBondContact O-N 2.99Å; F178-C181 PolarHBondContact O-N 2.92Å; C181-L183 VanDerWaalsContact C-N 3.34Å; C181-L183 PolarHBondContact O-N 3.34Å; C181-L184 PolarHBondContact O-N 3.03Å; C181-I185 VanDerWaalsContact O-CG1 3.3Å; C181-I185 WeakPolarHBondContact O-CG1 3.06Å; C181-I185 PolarHBondContact O-N 2.83Å
182A94.3Very high84.9Confident39 Ų3956 Ų5632%0.32228%0.282SS..Hα-helixtrans-60.9-40.9177.100000112.4F178 F179 A180 I185 A186F178-A182 WeakPolarHBondContact O-CB 3.36Å; F178-A182 PolarHBondContact O-N 3.48Å; F179-A182 PolarHBondContact O-N 3.46Å; A180-A182 VanDerWaalsContact C-N 3.35Å; A180-A182 PolarHBondContact O-N 3.21Å; A182-I185 PolarHBondContact O-N 2.95Å; A182-A186 VanDerWaalsContact O-CB 3.29Å; A182-A186 WeakPolarHBondContact O-CB 3.28Å; A182-A186 PolarHBondContact O-N 2.98Å
183L93.2Very high82.9Confident39 Ų3957.8 Ų57.820%0.20429%0.287CS..Hα-helixtrans-66.2-38.3175.4-70.8169.8000112L17 I20 F179 A180 C181 I185 D187L17-L183 HydrophobicContact CG-CD2 4.31Å; I20-L183 HydrophobicContact CB-CD1 4.18Å; I20-L183 HydrophobicContact CG2-CD1 3.64Å; F179-L183 WeakPolarHBondContact O-CB 3.3Å; F179-L183 WeakPolarHBondContact O-CG 3.32Å; F179-L183 PolarHBondContact O-N 3.05Å; A180-L183 PolarHBondContact O-N 2.92Å; C181-L183 VanDerWaalsContact C-N 3.34Å; C181-L183 PolarHBondContact O-N 3.34Å; L183-I185 VanDerWaalsContact C-N 3.33Å; L183-D187 PolarHBondContact O-N 3.26Å
184L91.2Very high80.9Confident0 Ų062.4 Ų62.40%031%0.306CS..Hα-helixtrans-64-39.3174-69.8176.7000111.9K18 S21 A127 M128 A180 C181K18-L184 HydrophobicContact CD-CD2 3.75Å; K18-L184 PolarHBondContact NZ-O 3.02Å; S21-L184 WeakPolarHBondContact OG-CG 3.29Å; A127-L184 HydrophobicContact CB-CD1 4.18Å; M128-L184 HydrophobicContact CB-CB 4.25Å; M128-L184 HydrophobicContact CB-CD1 4.42Å; M128-L184 HydrophobicContact CG-CB 4.4Å; A180-L184 WeakPolarHBondContact O-CG 3.43Å; A180-L184 PolarHBondContact O-N 3.08Å; C181-L184 PolarHBondContact O-N 3.03Å
185I90.4Very high78.9Confident83 Ų8370.1 Ų70.143%0.42634%0.335SS..Hα-helixtrans-69.9-48.5177.5-66.6165.3000111.2M128 C181 A182 L183 D187 K188M128-I185 HydrophobicContact CG-CG1 3.88Å; M128-I185 HydrophobicContact SD-CG1 3.86Å; C181-I185 VanDerWaalsContact O-CG1 3.3Å; C181-I185 WeakPolarHBondContact O-CG1 3.06Å; C181-I185 PolarHBondContact O-N 2.83Å; A182-I185 PolarHBondContact O-N 2.95Å; L183-I185 VanDerWaalsContact C-N 3.33Å; I185-D187 PolarHBondContact O-N 3.36Å; I185-D187 VanDerWaalsContact O-N 3.08Å; I185-K188 WeakPolarHBondContact O-CB 3.39Å; I185-K188 PolarHBondContact O-N 2.6Å
186A87.1Confident77.4Confident37 Ų3772.1 Ų72.131%0.30634%0.34SS..Hα-helixtrans-64.6-16.2-175.400000114.3A182 R190A182-A186 VanDerWaalsContact O-CB 3.29Å; A182-A186 WeakPolarHBondContact O-CB 3.28Å; A182-A186 PolarHBondContact O-N 2.98Å; A186-R190 PolarHBondContact O-NH2 2.7Å
187D81Confident76Confident12 Ų1277.7 Ų77.76%0.06436%0.363CS..THydrogen-bonded Turntrans-91.3-16.1176-167.963.3000112.7K18 L183 I185 E189 R190K18-D187 HydrophobicContact CD-CB 4.29Å; K18-D187 WeakPolarHBondContact CD-OD2 3.42Å; K18-D187 WeakPolarHBondContact CE-OD2 3.36Å; K18-D187 IonicContact NZ-OD2 2.84Å; K18-D187 PolarHBondContact NZ-OD2 3.03Å; K18-D187 VanDerWaalsContact NZ-OD2 3.15Å; L183-D187 PolarHBondContact O-N 3.26Å; I185-D187 PolarHBondContact O-N 3.36Å; I185-D187 VanDerWaalsContact O-N 3.08Å; D187-E189 PolarHBondContact O-N 3.31Å; D187-R190 PolarHBondContact O-N 3.05Å
188K63.4Low74.8Confident129 Ų12982.1 Ų82.156%0.56138%0.383SS*.THydrogen-bonded Turntrans-55.1-23.1177-172-177.2176.1-175.50112.8M128 I185M128-K188 HydrophobicContact CE-CD 4.33Å; I185-K188 WeakPolarHBondContact O-CB 3.39Å; I185-K188 PolarHBondContact O-N 2.6Å
189E56.1Low73.6Confident161 Ų16180 Ų8075%0.75238%0.379SS*.THydrogen-bonded Turntrans-90.4-8.5-173.1-66.8-178.9171.100114.5D187D187-E189 PolarHBondContact O-N 3.31Å
190R51.1Low72.6Confident98 Ų9877.5 Ų77.537%0.3737%0.373SS..  trans-141.328-159.7-56.5-173.9-77.5-131.3-15.5117.9R15 A186 D187 E192R15-R190 PolarHBondContact NE-O 2.93Å; R15-R190 VanDerWaalsContact NH1-CB 3.28Å; R15-R190 PolarHBondContact NH2-O 3.41Å; A186-R190 PolarHBondContact O-NH2 2.7Å; D187-R190 PolarHBondContact O-N 3.05Å; R190-E192 PolarHBondContact O-N 3.14Å
191E54.3Low71.6Confident95 Ų9584.6 Ų84.644%0.44440%0.401SS..  trans-71.370.7158.8-71.9-170.3175.900109.4V193E191-V193 PolarHBondContact O-N 2.77Å
192E51.4Low70.4Confident99 Ų9987.9 Ų87.946%0.46342%0.421SS..  trans-72.8107168.1-74.6169.2-127.700107.1R15 R190 Y194R15-E192 IonicContact NH2-OE1 3.79Å; R190-E192 PolarHBondContact O-N 3.14Å; E192-Y194 VanDerWaalsContact C-N 3.26Å; E192-Y194 HydrophobicContact CB-CD1 4.45Å; E192-Y194 HydrophobicContact CB-CD2 4.18Å; E192-Y194 HydrophobicContact CB-CE1 3.98Å; E192-Y194 HydrophobicContact CB-CE2 3.71Å; E192-Y194 VanDerWaalsContact O-CD2 3.32Å; E192-Y194 WeakPolarHBondContact O-CD2 3.24Å; E192-Y194 PolarHBondContact O-N 2.82Å; E192-Y194 WeakPolarHBondContact OE2-CE1 3.47Å; E192-Y194 PolarHBondContact OE2-OH 3.1Å
193V55.8Low69Low65 Ų6592.4 Ų92.439%0.39444%0.44SS..  trans-64.297.5159.7178.60000105.7T10 E191 Y195T10-V193 HydrophobicContact CG2-CG1 4.09Å; E191-V193 PolarHBondContact O-N 2.77Å; V193-Y195 HydrophobicContact CB-CE2 4.37Å; V193-Y195 HydrophobicContact CG1-CD1 4.31Å; V193-Y195 HydrophobicContact CG1-CD2 4.39Å; V193-Y195 HydrophobicContact CG1-CE1 3.9Å; V193-Y195 HydrophobicContact CG1-CE2 3.97Å; V193-Y195 PolarHBondContact O-N 3.29Å; V193-Y195 VanDerWaalsContact O-N 3.17Å
194Y54.8Low67.3Low97 Ų9795.1 Ų95.138%0.3846%0.462SS..EExtended strand (participates in β ladder)trans-73.8108.9171.4-66-76.3000107.5V11 V13 R15 E192 K196V11-Y194 PolarHBondContact N-O 2.89Å; V11-Y194 VanDerWaalsContact N-O 3.11Å; V13-Y194 HydrophobicContact CG2-CD2 4.06Å; V13-Y194 HydrophobicContact CG2-CE2 4.21Å; R15-Y194 PolarHBondContact NH2-OH 2.98Å; E192-Y194 VanDerWaalsContact C-N 3.26Å; E192-Y194 HydrophobicContact CB-CD1 4.45Å; E192-Y194 HydrophobicContact CB-CD2 4.18Å; E192-Y194 HydrophobicContact CB-CE1 3.98Å; E192-Y194 HydrophobicContact CB-CE2 3.71Å; E192-Y194 VanDerWaalsContact O-CD2 3.32Å; E192-Y194 WeakPolarHBondContact O-CD2 3.24Å; E192-Y194 PolarHBondContact O-N 2.82Å; E192-Y194 WeakPolarHBondContact OE2-CE1 3.47Å; E192-Y194 PolarHBondContact OE2-OH 3.1Å; Y194-K196 PolarHBondContact O-N 3.21Å
195Y56.3Low65.4Low165 Ų165103.7 Ų103.765%0.64750%0.502SS*.EExtended strand (participates in β ladder)trans-76.1105164.2-63.1-75.3000107.1I8 T10 V193I8-Y195 HydrophobicContact CG2-CD1 3.56Å; I8-Y195 HydrophobicContact CG2-CG 4.2Å; T10-Y195 HydrophobicContact CG2-CD1 4.03Å; T10-Y195 HydrophobicContact CG2-CE1 3.85Å; V193-Y195 HydrophobicContact CB-CE2 4.37Å; V193-Y195 HydrophobicContact CG1-CD1 4.31Å; V193-Y195 HydrophobicContact CG1-CD2 4.39Å; V193-Y195 HydrophobicContact CG1-CE1 3.9Å; V193-Y195 HydrophobicContact CG1-CE2 3.97Å; V193-Y195 PolarHBondContact O-N 3.29Å; V193-Y195 VanDerWaalsContact O-N 3.17Å
196K65Low63.2Low131 Ų131108.6 Ų108.657%0.5753%0.525SS*.EExtended strand (participates in β ladder)trans-93.7111.4172.5-169.4177.5-179.8-179.50107.7E9 V11 Y194 K198E9-K196 PolarHBondContact N-O 3.26Å; E9-K196 PolarHBondContact O-N 2.83Å; V11-K196 HydrophobicContact CG2-CB 4.12Å; Y194-K196 PolarHBondContact O-N 3.21Å; K196-K198 PolarHBondContact O-N 2.9Å
197E68Low61.3Low151 Ų151113.8 Ų113.871%0.70655%0.553SS**EExtended strand (participates in β ladder)trans-69.8124.2167.6-71.1-177.2-176.300108.9I8I8-E197 HydrophobicContact CG1-CG 4.45Å
198K72.4Confident59.5Low94 Ų94123.4 Ų123.441%0.40961%0.612SS.*EExtended strand (participates in β ladder)trans-121.3117.3173.7-170.6-178.9178.6-176.60108.2T7 E9 K196 V200T7-K198 PolarHBondContact N-O 3.14Å; T7-K198 PolarHBondContact O-N 3.37Å; T7-K198 PolarHBondContact OG1-O 3.12Å; E9-K198 VanDerWaalsContact OE1-CD 3.3Å; E9-K198 WeakPolarHBondContact OE1-CD 3.31Å; E9-K198 IonicContact OE1-NZ 2.97Å; E9-K198 PolarHBondContact OE1-NZ 2.92Å; E9-K198 IonicContact OE2-NZ 3.73Å; K196-K198 PolarHBondContact O-N 2.9Å; K198-V200 HydrophobicContact CG-CG2 4.4Å
199T73.3Confident59.3Low68 Ų68123.2 Ų123.242%0.41761%0.614SS.*EExtended strand (participates in β ladder)trans-88.7110.6173.758.70000109T6T6-T199 HydrophobicContact CG2-CG2 3.84Å
200V75.4Confident59.4Low61 Ų61121.2 Ų121.237%0.3761%0.607SS.*EExtended strand (participates in β ladder)trans-95.6115.9175-177.50000108.2T5 K198T5-V200 PolarHBondContact N-O 3.37Å; T5-V200 PolarHBondContact O-N 3.5Å; K198-V200 HydrophobicContact CG-CG2 4.4Å
201Y73.9Confident59.9Low149 Ų149122.4 Ų122.458%0.58462%0.62SS**EExtended strand (participates in β ladder)trans-86.6116.6173.3-60.9-83.9000108.9P2 A4P2-Y201 HydrophobicContact CG-CD1 4.4Å; A4-Y201 HydrophobicContact CB-CD1 3.81Å; A4-Y201 HydrophobicContact CB-CE1 3.79Å
202T70.5Confident60.2Low73 Ų73124.1 Ų124.145%0.44863%0.63SS.*EExtended strand (participates in β ladder)trans-91.7111.4174.9-53.10000108.5D3 S204D3-T202 PolarHBondContact O-N 3.03Å; T202-S204 PolarHBondContact O-N 2.79Å
203N64.2Low60.8Low134 Ų134125.6 Ų125.672%0.71764%0.641SS**  trans-83.1108.1169.1-84.5-20.4000108.9Q205N203-Q205 PolarHBondContact O-N 3.26Å
204S58.5Low61.1Low96 Ų96129.7 Ų129.767%0.67166%0.657SS**  trans-70.839.6-176-32.60000115T202T202-S204 PolarHBondContact O-N 2.79Å
205Q50.5Low61.6Low180 Ų180132 Ų13284%0.84168%0.677SS**  trans-125.318.6-166.7-77.6-116.2-60.600117.5N203N203-Q205 PolarHBondContact O-N 3.26Å
206M44.5Very low62Low185 Ų185129.5 Ų129.591%0.91168%0.679SS**  trans-13872.4169.6-62.9-148-60.200114
207V47.2Very low61.7Low146 Ų146129.3 Ų129.389%0.88569%0.688SS**  trans-145.589.2149.6-173.60000108.3
208V42.4Very low61.2Low215 Ų215127.4 Ų127.4100%1.30369%0.687SS**  trans-125.50143.5177.20000105.5

Retrieved 208 of 208 residues in 250.1 ms (Link to these results)

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