G4LXQ1_SCHMA Loading...

UDP-N-acetylglucosamine transferase subunit ALG14 AlphaSync

AlphaFold DB , UniProt , Accession G4LXQ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 181 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
1M70.8Confident84.7Confident203 Ų203132.3 Ų132.3100%163%0.631SS**  0-42.80-80.3169.246.300113.8F3 W4M1-F3 VanDerWaalsContact C-N 3.25Å; M1-F3 PolarHBondContact O-N 3.35Å; M1-W4 PolarHBondContact O-N 3.08Å
2I80.7Confident84.7Confident127 Ų127127.7 Ų127.765%0.65162%0.618SS**Hα-helixtrans-58.4-31.7-178.6-68.4158.1000113.8W4 I5I2-W4 PolarHBondContact O-N 2.78Å; I2-W4 VanDerWaalsContact O-N 3.16Å; I2-I5 WeakPolarHBondContact O-CB 3.28Å; I2-I5 PolarHBondContact O-N 3.46Å
3F82.2Confident84.4Confident185 Ų185120.9 Ų120.981%0.81160%0.596SS**Hα-helixtrans-57.5-29.4-179.3-72.4-79.1000115M1 P7M1-F3 VanDerWaalsContact C-N 3.25Å; M1-F3 PolarHBondContact O-N 3.35Å; F3-P7 WeakPolarHBondContact O-CD 3.16Å; F3-P7 WeakPolarHBondContact O-CG 3.33Å
4W87.6Confident84Confident192 Ų192120.7 Ų120.773%0.72759%0.587SS**Hα-helixtrans-86.7-19.5178.4-68.6110.6000113.4M1 I2 P7 I8M1-W4 PolarHBondContact O-N 3.08Å; I2-W4 PolarHBondContact O-N 2.78Å; I2-W4 VanDerWaalsContact O-N 3.16Å; W4-P7 WeakPolarHBondContact O-CD 3.34Å; W4-I8 HydrophobicContact CB-CD1 4.32Å; W4-I8 WeakPolarHBondContact O-CB 3.41Å; W4-I8 WeakPolarHBondContact O-CD1 3.46Å; W4-I8 WeakPolarHBondContact O-CG1 3.47Å; W4-I8 PolarHBondContact O-N 3.14Å; W4-I8 VanDerWaalsContact O-N 3.14Å
5I88.7Confident83.8Confident91 Ų91117.1 Ų117.147%0.46757%0.574SS.*Hα-helixtrans-68.1-42.2-177-58.9178.6000110.5I2 I8 L9I2-I5 WeakPolarHBondContact O-CB 3.28Å; I2-I5 PolarHBondContact O-N 3.46Å; I5-I8 PolarHBondContact O-N 3.43Å; I5-L9 HydrophobicContact CG2-CD1 3.82Å; I5-L9 HydrophobicContact CG2-CG 4.35Å; I5-L9 WeakPolarHBondContact O-CB 3.32Å; I5-L9 WeakPolarHBondContact O-CG 3.29Å; I5-L9 PolarHBondContact O-N 3.16Å
6I87.1Confident83.5Confident107 Ų107117.8 Ų117.855%0.54957%0.57SS.*Hα-helixtrans-64.7-49.6-178-62169.9000111.5L9 W10I6-L9 PolarHBondContact O-N 3.35Å; I6-W10 WeakPolarHBondContact O-CB 3.03Å; I6-W10 PolarHBondContact O-N 3.17Å
7P87.1Confident82.8Confident61 Ų61114.9 Ų114.940%0.39655%0.554SS.*Hα-helixtrans-61.1-42174.3-25.134.4000113.5F3 W4 W10 V11F3-P7 WeakPolarHBondContact O-CD 3.16Å; F3-P7 WeakPolarHBondContact O-CG 3.33Å; W4-P7 WeakPolarHBondContact O-CD 3.34Å; P7-W10 WeakPolarHBondContact O-CB 3.44Å; P7-W10 PolarHBondContact O-N 3.07Å; P7-V11 VanDerWaalsContact O-CG2 3.31Å; P7-V11 WeakPolarHBondContact O-CG2 3.38Å; P7-V11 PolarHBondContact O-N 3.43Å
8I89.4Confident82.1Confident101 Ų101114.8 Ų114.852%0.51855%0.548SS..Hα-helixtrans-64.1-43.3178.7-68.4167.6000110.6W4 I5 W10 V11 T12W4-I8 HydrophobicContact CB-CD1 4.32Å; W4-I8 WeakPolarHBondContact O-CB 3.41Å; W4-I8 WeakPolarHBondContact O-CD1 3.46Å; W4-I8 WeakPolarHBondContact O-CG1 3.47Å; W4-I8 PolarHBondContact O-N 3.14Å; W4-I8 VanDerWaalsContact O-N 3.14Å; I5-I8 PolarHBondContact O-N 3.43Å; I8-W10 VanDerWaalsContact C-N 3.31Å; I8-W10 PolarHBondContact O-N 3.06Å; I8-V11 PolarHBondContact O-N 3.21Å; I8-T12 HydrophobicContact CG2-CG2 4.23Å; I8-T12 WeakPolarHBondContact O-CB 3.23Å; I8-T12 VanDerWaalsContact O-CG2 3.28Å; I8-T12 WeakPolarHBondContact O-CG2 3.15Å; I8-T12 PolarHBondContact O-N 3.28Å; I8-T12 PolarHBondContact O-OG1 3.35Å
9L87.2Confident81.5Confident107 Ų107114.7 Ų114.756%0.5655%0.55SS*.Hα-helixtrans-61.6-40173.5-80.5171000111.8I5 I6 T12 A13I5-L9 HydrophobicContact CG2-CD1 3.82Å; I5-L9 HydrophobicContact CG2-CG 4.35Å; I5-L9 WeakPolarHBondContact O-CB 3.32Å; I5-L9 WeakPolarHBondContact O-CG 3.29Å; I5-L9 PolarHBondContact O-N 3.16Å; I6-L9 PolarHBondContact O-N 3.35Å; L9-T12 WeakPolarHBondContact CA-OG1 3.42Å; L9-T12 PolarHBondContact O-OG1 2.89Å; L9-T12 VanDerWaalsContact O-OG1 3.08Å; L9-A13 WeakPolarHBondContact O-CB 3.36Å; L9-A13 PolarHBondContact O-N 3.49Å
10W84.3Confident80.8Confident192 Ų192114.2 Ų114.273%0.72755%0.545SS*.Hα-helixtrans-63-46.4175.2-109.980.7000112.4I6 P7 I8 Y14I6-W10 WeakPolarHBondContact O-CB 3.03Å; I6-W10 PolarHBondContact O-N 3.17Å; P7-W10 WeakPolarHBondContact O-CB 3.44Å; P7-W10 PolarHBondContact O-N 3.07Å; I8-W10 VanDerWaalsContact C-N 3.31Å; I8-W10 PolarHBondContact O-N 3.06Å; W10-Y14 WeakPolarHBondContact O-CB 3.4Å; W10-Y14 PolarHBondContact O-N 3.37Å
11V86.6Confident79.9Confident89 Ų89108.8 Ų108.854%0.53952%0.519SS..Hα-helixtrans-67.2-45.3179.5172.50000110.6P7 I8 Y14 V15P7-V11 VanDerWaalsContact O-CG2 3.31Å; P7-V11 WeakPolarHBondContact O-CG2 3.38Å; P7-V11 PolarHBondContact O-N 3.43Å; I8-V11 PolarHBondContact O-N 3.21Å; V11-Y14 WeakPolarHBondContact O-CB 3.13Å; V11-Y14 PolarHBondContact O-N 3.5Å; V11-V15 HydrophobicContact CG1-CG2 4.26Å; V11-V15 WeakPolarHBondContact O-CB 3.02Å; V11-V15 VanDerWaalsContact O-CG2 3.23Å; V11-V15 WeakPolarHBondContact O-CG2 3.48Å; V11-V15 PolarHBondContact O-N 3.33Å
12T85Confident79.3Confident77 Ų77106.9 Ų106.947%0.47251%0.505SS..Hα-helixtrans-65-41.8178520000111.8I8 L9 V15 Y16I8-T12 HydrophobicContact CG2-CG2 4.23Å; I8-T12 WeakPolarHBondContact O-CB 3.23Å; I8-T12 VanDerWaalsContact O-CG2 3.28Å; I8-T12 WeakPolarHBondContact O-CG2 3.15Å; I8-T12 PolarHBondContact O-N 3.28Å; I8-T12 PolarHBondContact O-OG1 3.35Å; L9-T12 WeakPolarHBondContact CA-OG1 3.42Å; L9-T12 PolarHBondContact O-OG1 2.89Å; L9-T12 VanDerWaalsContact O-OG1 3.08Å; T12-V15 PolarHBondContact O-N 2.87Å; T12-Y16 VanDerWaalsContact O-CB 3.29Å; T12-Y16 WeakPolarHBondContact O-CB 3.48Å; T12-Y16 PolarHBondContact O-N 3.48Å
13A80.8Confident78.2Confident40 Ų40106.4 Ų106.433%0.33151%0.512SS..Hα-helixtrans-62.1-46.4172.300000111.2L9 V15 Y16 F17L9-A13 WeakPolarHBondContact O-CB 3.36Å; L9-A13 PolarHBondContact O-N 3.49Å; A13-V15 PolarHBondContact O-N 2.87Å; A13-Y16 PolarHBondContact O-N 3.46Å; A13-F17 HydrophobicContact CB-CD2 4.4Å; A13-F17 HydrophobicContact CB-CE2 4.39Å; A13-F17 WeakPolarHBondContact O-CB 3.42Å; A13-F17 WeakPolarHBondContact O-CD2 3.45Å; A13-F17 PolarHBondContact O-N 2.82Å
14Y79Confident77.3Confident118 Ų11899.2 Ų99.246%0.46348%0.482SS..Hα-helixtrans-57.2-49.1176.3178.3-88.3000111.6W10 V11 F17 Y18 L126W10-Y14 WeakPolarHBondContact O-CB 3.4Å; W10-Y14 PolarHBondContact O-N 3.37Å; V11-Y14 WeakPolarHBondContact O-CB 3.13Å; V11-Y14 PolarHBondContact O-N 3.5Å; Y14-F17 PolarHBondContact O-N 2.89Å; Y14-Y18 WeakPolarHBondContact O-CB 3.31Å; Y14-Y18 PolarHBondContact O-N 2.82Å; Y14-L126 HydrophobicContact CD2-CD2 3.36Å; Y14-L126 HydrophobicContact CE2-CD2 3.08Å; Y14-L126 HydrophobicContact CG-CD2 4.3Å
15V80.2Confident76.5Confident66 Ų6694.3 Ų94.340%0.447%0.47SS..Hα-helixtrans-63.2-44.9178.1171.40000111V11 T12 A13 F17 Y18 I19V11-V15 HydrophobicContact CG1-CG2 4.26Å; V11-V15 WeakPolarHBondContact O-CB 3.02Å; V11-V15 VanDerWaalsContact O-CG2 3.23Å; V11-V15 WeakPolarHBondContact O-CG2 3.48Å; V11-V15 PolarHBondContact O-N 3.33Å; T12-V15 PolarHBondContact O-N 2.87Å; A13-V15 PolarHBondContact O-N 2.87Å; V15-F17 PolarHBondContact O-N 2.84Å; V15-Y18 PolarHBondContact O-N 3.27Å; V15-I19 HydrophobicContact CG1-CD1 3.76Å; V15-I19 HydrophobicContact CG1-CG1 4.36Å; V15-I19 VanDerWaalsContact O-CG1 3.32Å; V15-I19 WeakPolarHBondContact O-CG1 3.16Å; V15-I19 PolarHBondContact O-N 3.19Å
16Y78.9Confident75.4Confident128 Ų12895.6 Ų95.650%0.50248%0.484SS..Hα-helixtrans-59.1-48175.9169.3-101.3000111.9T12 A13 Y18 K20T12-Y16 VanDerWaalsContact O-CB 3.29Å; T12-Y16 WeakPolarHBondContact O-CB 3.48Å; T12-Y16 PolarHBondContact O-N 3.48Å; A13-Y16 PolarHBondContact O-N 3.46Å; Y16-Y18 VanDerWaalsContact C-N 3.34Å; Y16-Y18 PolarHBondContact O-N 2.8Å; Y16-K20 HydrophobicContact CE1-CD 4.39Å; Y16-K20 WeakPolarHBondContact O-CB 3.34Å; Y16-K20 PolarHBondContact O-N 2.89Å; Y16-K20 PolarHBondContact OH-NZ 3.29Å; Y16-K20 VanDerWaalsContact OH-NZ 3.17Å
17F72Confident74.9Confident70 Ų7094.2 Ų94.231%0.30749%0.488SS..Hα-helixtrans-66.9-35.5177.7-75.8-62.9000112.1A13 Y14 V15 A21 I119 A122 L126A13-F17 HydrophobicContact CB-CD2 4.4Å; A13-F17 HydrophobicContact CB-CE2 4.39Å; A13-F17 WeakPolarHBondContact O-CB 3.42Å; A13-F17 WeakPolarHBondContact O-CD2 3.45Å; A13-F17 PolarHBondContact O-N 2.82Å; Y14-F17 PolarHBondContact O-N 2.89Å; V15-F17 PolarHBondContact O-N 2.84Å; F17-A21 WeakPolarHBondContact O-CB 3.22Å; F17-A21 PolarHBondContact O-N 3.17Å; F17-I119 HydrophobicContact CE1-CG1 4.36Å; F17-A122 HydrophobicContact CD1-CB 4.04Å; F17-A122 HydrophobicContact CE1-CB 4.25Å; F17-A122 HydrophobicContact CG-CB 4.36Å; F17-L126 HydrophobicContact CB-CD1 3.68Å
18Y70.2Confident74.7Confident112 Ų11293.7 Ų93.744%0.43948%0.481SS..Hα-helixtrans-64.7-49.8176.1-177.9-92.5000112Y14 V15 Y16 K20 A21 K22 I128Y14-Y18 WeakPolarHBondContact O-CB 3.31Å; Y14-Y18 PolarHBondContact O-N 2.82Å; V15-Y18 PolarHBondContact O-N 3.27Å; Y16-Y18 VanDerWaalsContact C-N 3.34Å; Y16-Y18 PolarHBondContact O-N 2.8Å; Y18-K20 VanDerWaalsContact C-N 3.35Å; Y18-K20 PolarHBondContact O-N 3.18Å; Y18-A21 PolarHBondContact O-N 3.03Å; Y18-K22 PolarHBondContact O-N 3.17Å; Y18-K22 VanDerWaalsContact O-N 3.11Å; Y18-I128 HydrophobicContact CD2-CD1 3.99Å; Y18-I128 HydrophobicContact CE2-CD1 4.44Å
19I71.3Confident74.3Confident114 Ų11489.8 Ų89.859%0.58546%0.462SS*.Hα-helixtrans-59.3-47177.1-67.5168.8000110.3V15 A21 K22V15-I19 HydrophobicContact CG1-CD1 3.76Å; V15-I19 HydrophobicContact CG1-CG1 4.36Å; V15-I19 VanDerWaalsContact O-CG1 3.32Å; V15-I19 WeakPolarHBondContact O-CG1 3.16Å; V15-I19 PolarHBondContact O-N 3.19Å; I19-A21 PolarHBondContact O-N 2.92Å; I19-K22 PolarHBondContact O-N 3.41Å
20K67.8Low74.1Confident104 Ų10487 Ų8745%0.45244%0.444SS..Hα-helixtrans-66.8-22.8-179.7-168.5167.1-170.3167.40113.6Y16 Y18Y16-K20 HydrophobicContact CE1-CD 4.39Å; Y16-K20 WeakPolarHBondContact O-CB 3.34Å; Y16-K20 PolarHBondContact O-N 2.89Å; Y16-K20 PolarHBondContact OH-NZ 3.29Å; Y16-K20 VanDerWaalsContact OH-NZ 3.17Å; Y18-K20 VanDerWaalsContact C-N 3.35Å; Y18-K20 PolarHBondContact O-N 3.18Å
21A60.8Low74.1Confident0 Ų078.9 Ų78.90%042%0.416CS..Hα-helixtrans-86.5-28.517900000113.2F17 Y18 I19 C23 K123 I128F17-A21 WeakPolarHBondContact O-CB 3.22Å; F17-A21 PolarHBondContact O-N 3.17Å; Y18-A21 PolarHBondContact O-N 3.03Å; I19-A21 PolarHBondContact O-N 2.92Å; A21-C23 PolarHBondContact O-N 3.11Å; A21-K123 HydrophobicContact CB-CG 4.19Å; A21-I128 HydrophobicContact CB-CB 4.33Å; A21-I128 HydrophobicContact CB-CD1 3.24Å; A21-I128 HydrophobicContact CB-CG1 4.32Å; A21-I128 HydrophobicContact CB-CG2 4.13Å
22K59.7Low74.2Confident164 Ų16476.4 Ų76.471%0.71340%0.399SS*.Hα-helixtrans-64.1-17.6177-168.6174.6179.3-179.10114.1Y18 I19 D24Y18-K22 PolarHBondContact O-N 3.17Å; Y18-K22 VanDerWaalsContact O-N 3.11Å; I19-K22 PolarHBondContact O-N 3.41Å; K22-D24 PolarHBondContact O-N 2.81Å
23C57.4Low74.5Confident116 Ų11673.1 Ų73.178%0.78438%0.378SS*.THydrogen-bonded Turntrans-75.85.1-177.1-151.80000114.1A21A21-C23 PolarHBondContact O-N 3.11Å
24D62.9Low75Confident35 Ų3575 Ų7519%0.18739%0.386CS..SBendtrans-114.9145.8-175.5-70.9-48.7000113.7K22 P26 R30 K123 H129K22-D24 PolarHBondContact O-N 2.81Å; D24-P26 WeakPolarHBondContact O-CD 3.38Å; D24-R30 VanDerWaalsContact CG-NE 3.34Å; D24-R30 IonicContact OD1-CZ 3.49Å; D24-R30 IonicContact OD1-NE 3.56Å; D24-R30 IonicContact OD1-NH2 2.68Å; D24-R30 PolarHBondContact OD1-NH2 3.33Å; D24-R30 IonicContact OD2-CZ 2.94Å; D24-R30 IonicContact OD2-NE 2.88Å; D24-R30 PolarHBondContact OD2-NE 3.42Å; D24-R30 IonicContact OD2-NH1 3.94Å; D24-R30 IonicContact OD2-NH2 2.72Å; D24-R30 PolarHBondContact OD2-NH2 2.92Å; D24-K123 IonicContact OD2-NZ 3.77Å; D24-K123 PolarHBondContact OD2-NZ 2.72Å; D24-H129 WeakPolarHBondContact CB-NE2 3.11Å
25D69.3Low75.5Confident89 Ų8969.9 Ų69.948%0.47637%0.366SS..  trans-66119.2-179.8-64-53000111.7A27 M28 K83 H129D25-A27 PolarHBondContact O-N 2.68Å; D25-M28 HydrophobicContact CB-CB 4.32Å; D25-M28 HydrophobicContact CB-CG 3.94Å; D25-M28 PolarHBondContact O-N 2.88Å; D25-K83 IonicContact OD2-NZ 3.75Å; D25-H129 PolarHBondContact O-CE1 3Å
26P67.4Low75.6Confident118 Ų11868.3 Ų68.377%0.76636%0.363SS*.THydrogen-bonded Turntrans-68.9-19.9-178.226.6-34.3000113.6D24 M28D24-P26 WeakPolarHBondContact O-CD 3.38Å; P26-M28 PolarHBondContact O-N 2.6Å
27A76.4Confident75.9Confident77 Ų7764.3 Ų64.364%0.63635%0.354SS*.THydrogen-bonded Turntrans-73.1-17.6176.600000113.2D25D25-A27 PolarHBondContact O-N 2.68Å
28M81.5Confident76.5Confident50 Ų5063.3 Ų63.325%0.24636%0.364CS..SBendtrans-103.7144.7-173.7-60.2-64.7-150.300111.9D25 P26 C53 K54 Q56D25-M28 HydrophobicContact CB-CB 4.32Å; D25-M28 HydrophobicContact CB-CG 3.94Å; D25-M28 PolarHBondContact O-N 2.88Å; P26-M28 PolarHBondContact O-N 2.6Å; M28-C53 WeakPolarHBondContact CE-O 3.32Å; M28-K54 CarbonylContact C-O 3.47Å; M28-K54 WeakPolarHBondContact CA-O 3.47Å; M28-Q56 HydrophobicContact CB-CG 4.32Å; M28-Q56 VanDerWaalsContact CB-O 3.26Å; M28-Q56 WeakPolarHBondContact CB-O 3.19Å; M28-Q56 HydrophobicContact CE-CG 3.66Å; M28-Q56 HydrophobicContact CG-CG 4.06Å; M28-Q56 HydrophobicContact SD-CG 3.8Å
29T82.9Confident77.2Confident20 Ų2060.3 Ų60.312%0.12337%0.367CS..  trans-104.9115.2175.9-62.50000109.8V31 K54 Y55 Q56 S130 L132T29-V31 PolarHBondContact O-N 3.22Å; T29-K54 PolarHBondContact N-O 2.93Å; T29-Y55 HydrophobicContact CG2-CD1 4.11Å; T29-Y55 HydrophobicContact CG2-CE1 4.4Å; T29-Y55 CarbonylContact O-C 3.54Å; T29-Y55 VanDerWaalsContact O-CA 3.23Å; T29-Y55 WeakPolarHBondContact O-CA 3.5Å; T29-Q56 CarbonylContact C-O 3.51Å; T29-Q56 PolarHBondContact O-N 2.76Å; T29-S130 WeakPolarHBondContact CG2-O 3.38Å; T29-L132 HydrophobicContact CG2-CB 4.34Å
30R81.1Confident77.9Confident47 Ų4759.6 Ų59.618%0.17736%0.361CS..  trans-63.8132.6171.9-76167.3161.4-105.2-11.9110.2D24 P57 F120 K123D24-R30 VanDerWaalsContact CG-NE 3.34Å; D24-R30 IonicContact OD1-CZ 3.49Å; D24-R30 IonicContact OD1-NE 3.56Å; D24-R30 IonicContact OD1-NH2 2.68Å; D24-R30 PolarHBondContact OD1-NH2 3.33Å; D24-R30 IonicContact OD2-CZ 2.94Å; D24-R30 IonicContact OD2-NE 2.88Å; D24-R30 PolarHBondContact OD2-NE 3.42Å; D24-R30 IonicContact OD2-NH1 3.94Å; D24-R30 IonicContact OD2-NH2 2.72Å; D24-R30 PolarHBondContact OD2-NH2 2.92Å; R30-P57 HydrophobicContact CG-CG 3.95Å; R30-F120 HydrophobicContact CB-CE2 4.03Å; R30-F120 HydrophobicContact CB-CZ 4.01Å; R30-K123 VanDerWaalsContact NH2-NZ 3.1Å
31V86.2Confident79Confident22 Ų2254.6 Ų54.613%0.13334%0.339CS..EExtended strand (participates in β ladder)trans-123.8133.5177.3-176.80000109.3T29 I33 Y55 P57 L59T29-V31 PolarHBondContact O-N 3.22Å; V31-I33 HydrophobicContact CG1-CD1 4.4Å; V31-I33 HydrophobicContact CG1-CG1 3.85Å; V31-Y55 HydrophobicContact CG2-CD1 3.81Å; V31-Y55 HydrophobicContact CG2-CG 4.22Å; V31-P57 PolarHBondContact N-O 3.49Å; V31-L59 PolarHBondContact O-N 3.1Å
32M88.1Confident80.5Confident38 Ų3857.2 Ų57.219%0.18736%0.361CS..EExtended strand (participates in β ladder)trans-106.3122172-177.7179.468.600108.9V34 L59 V61 V117 F120M32-V34 HydrophobicContact CE-CG2 4.36Å; M32-V34 HydrophobicContact CG-CG2 4.5Å; M32-L59 CarbonylContact C-O 3.19Å; M32-L59 WeakPolarHBondContact CA-O 3.12Å; M32-L59 HydrophobicContact CG-CD2 4.23Å; M32-L59 HydrophobicContact CG-CG 4.39Å; M32-L59 HydrophobicContact SD-CD2 4.44Å; M32-V61 HydrophobicContact CG-CG2 3.94Å; M32-V61 HydrophobicContact SD-CG2 4.1Å; M32-V117 HydrophobicContact CE-CG2 4.16Å; M32-V117 HydrophobicContact SD-CG2 4.39Å; M32-F120 HydrophobicContact CB-CD1 4.23Å; M32-F120 HydrophobicContact CB-CD2 4.35Å; M32-F120 HydrophobicContact CB-CE1 3.76Å; M32-F120 HydrophobicContact CB-CE2 3.91Å; M32-F120 HydrophobicContact CB-CZ 3.61Å
33I91.2Very high82Confident7 Ų751.3 Ų51.34%0.03634%0.336CS..EExtended strand (participates in β ladder)trans-115.2112.5-175.5-55.5168.5000107.1V31 L35 M44 T48 R58 L59 Y60 V61V31-I33 HydrophobicContact CG1-CD1 4.4Å; V31-I33 HydrophobicContact CG1-CG1 3.85Å; I33-L35 HydrophobicContact CG2-CD2 3.86Å; I33-L35 HydrophobicContact CG2-CG 4.35Å; I33-M44 HydrophobicContact CG2-CG 3.55Å; I33-M44 HydrophobicContact CG2-SD 4.24Å; I33-T48 HydrophobicContact CD1-CG2 3.53Å; I33-R58 HydrophobicContact CD1-CB 4.47Å; I33-L59 PolarHBondContact N-O 3.28Å; I33-Y60 HydrophobicContact CB-CD1 3.86Å; I33-Y60 HydrophobicContact CB-CE1 4.02Å; I33-Y60 HydrophobicContact CD1-CD1 4.28Å; I33-Y60 HydrophobicContact CD1-CE1 3.66Å; I33-Y60 HydrophobicContact CG1-CE1 4.45Å; I33-Y60 HydrophobicContact CG2-CD1 3.99Å; I33-Y60 HydrophobicContact CG2-CE1 3.96Å; I33-Y60 CarbonylContact O-C 3.56Å; I33-Y60 WeakPolarHBondContact O-CA 3.26Å; I33-V61 PolarHBondContact O-N 3.14Å
34V90.1Very high83.6Confident81 Ų8148.1 Ų48.149%0.49131%0.31SS..EExtended strand (participates in β ladder)trans-95119.9179.3-174.40000108.5M32 V61M32-V34 HydrophobicContact CE-CG2 4.36Å; M32-V34 HydrophobicContact CG-CG2 4.5Å; V34-V61 HydrophobicContact CG1-CB 4.49Å; V34-V61 HydrophobicContact CG2-CB 4.23Å
35L90.3Very high85Confident9 Ų947.2 Ų47.25%0.04731%0.305CS..  trans-104.4138.7179.7-59.3-178.9000110.9I33 T41 M44 L45 Y60 V61 I62 V73I33-L35 HydrophobicContact CG2-CD2 3.86Å; I33-L35 HydrophobicContact CG2-CG 4.35Å; L35-T41 HydrophobicContact CB-CG2 4.46Å; L35-T41 HydrophobicContact CD1-CG2 4.42Å; L35-T41 HydrophobicContact CD2-CG2 4.34Å; L35-M44 HydrophobicContact CD2-CB 3.81Å; L35-M44 HydrophobicContact CD2-CG 3.66Å; L35-L45 HydrophobicContact CD1-CD2 4.24Å; L35-L45 HydrophobicContact CD2-CD2 4.47Å; L35-Y60 HydrophobicContact CD1-CD1 3.84Å; L35-Y60 HydrophobicContact CD1-CE1 4.37Å; L35-Y60 HydrophobicContact CG-CD1 4.29Å; L35-V61 PolarHBondContact N-O 3.06Å; L35-I62 HydrophobicContact CB-CG1 4.28Å; L35-I62 HydrophobicContact CD1-CD1 4.1Å; L35-I62 HydrophobicContact CD1-CG1 4.16Å; L35-V73 HydrophobicContact CD1-CG2 3.18Å
36G83.1Confident86.1Confident33 Ų3344.9 Ų44.934%0.3430%0.296SS..  trans-101-143.1173.100000111.2T41 S69G36-T41 VanDerWaalsContact C-OG1 3.23Å; G36-T41 PolarHBondContact O-OG1 3.25Å; G36-S69 PolarHBondContact O-OG 3.05Å; G36-S69 VanDerWaalsContact O-OG 3.12Å
37S83.9Confident87.1Confident44 Ų4440.6 Ų40.631%0.30826%0.264SS..SBendtrans-116.7159.4166.140.20000110.8D66 R91S37-D66 WeakPolarHBondContact CA-OD2 3.29Å; S37-R91 PolarHBondContact OG-NH2 2.61Å
38G85.3Confident87.8Confident50 Ų5037 Ų3752%0.51524%0.235SC..THydrogen-bonded Turntrans75.9-146.7167.200000113.5H40 T41G38-H40 VanDerWaalsContact C-N 3.29Å; G38-H40 PolarHBondContact O-N 3.11Å; G38-T41 WeakPolarHBondContact O-CB 3.36Å; G38-T41 PolarHBondContact O-N 2.8Å
39G85.7Confident88.2Confident49 Ų4937.6 Ų37.651%0.50524%0.244SC..Hα-helixtrans-56.7-37.4-173.400000114.2T41 A42 E43G39-T41 PolarHBondContact O-N 3.4Å; G39-A42 WeakPolarHBondContact O-CB 3.23Å; G39-A42 PolarHBondContact O-N 3.49Å; G39-E43 WeakPolarHBondContact O-CG 3.07Å; G39-E43 PolarHBondContact O-N 3.43Å
40H85.7Confident88.5Confident98 Ų9842 Ų4245%0.45427%0.27SS..Hα-helixtrans-62.7-29.3178.7-61.3-9.7000113.2G38 E43 M44 S138G38-H40 VanDerWaalsContact C-N 3.29Å; G38-H40 PolarHBondContact O-N 3.11Å; H40-E43 IonicContact ND1-OE2 2.74Å; H40-M44 WeakPolarHBondContact O-CB 3.4Å; H40-M44 PolarHBondContact O-N 3.16Å; H40-S138 PolarHBondContact CE1-OG 2.8Å; H40-S138 VanDerWaalsContact CE1-OG 3.25Å; H40-S138 PolarHBondContact ND1-OG 3.02Å
41T90.4Very high88.9Confident0 Ų042.3 Ų42.30%028%0.275CS..Hα-helixtrans-71-41.5175.7-53.30000110.3L35 G36 G38 G39 M44 L45 S69L35-T41 HydrophobicContact CB-CG2 4.46Å; L35-T41 HydrophobicContact CD1-CG2 4.42Å; L35-T41 HydrophobicContact CD2-CG2 4.34Å; G36-T41 VanDerWaalsContact C-OG1 3.23Å; G36-T41 PolarHBondContact O-OG1 3.25Å; G38-T41 WeakPolarHBondContact O-CB 3.36Å; G38-T41 PolarHBondContact O-N 2.8Å; G39-T41 PolarHBondContact O-N 3.4Å; T41-M44 PolarHBondContact O-N 3.07Å; T41-L45 HydrophobicContact CG2-CD1 3.97Å; T41-L45 HydrophobicContact CG2-CG 4.37Å; T41-L45 WeakPolarHBondContact O-CB 3.38Å; T41-L45 WeakPolarHBondContact O-CG 3.47Å; T41-L45 PolarHBondContact O-N 2.94Å; T41-S69 WeakPolarHBondContact CG2-OG 3.35Å
42A91.3Very high88.9Confident54 Ų5445.8 Ų45.845%0.44630%0.297SS..Hα-helixtrans-64.1-43.4176.100000111.5G39 L45 S46G39-A42 WeakPolarHBondContact O-CB 3.23Å; G39-A42 PolarHBondContact O-N 3.49Å; A42-L45 PolarHBondContact O-N 2.8Å; A42-S46 PolarHBondContact O-N 3.15Å
43E91.5Very high88.7Confident40 Ų4047.6 Ų47.619%0.18731%0.312CS..Hα-helixtrans-56.9-51.7174-69.8175.8-173.300111G39 H40 L45 S46 Y47 S138 I139G39-E43 WeakPolarHBondContact O-CG 3.07Å; G39-E43 PolarHBondContact O-N 3.43Å; H40-E43 IonicContact ND1-OE2 2.74Å; E43-L45 PolarHBondContact O-N 3.18Å; E43-S46 WeakPolarHBondContact O-CB 3.4Å; E43-S46 PolarHBondContact O-N 2.79Å; E43-Y47 HydrophobicContact CB-CE2 4.45Å; E43-Y47 WeakPolarHBondContact O-CD2 3.14Å; E43-Y47 PolarHBondContact O-N 2.7Å; E43-S138 PolarHBondContact OE1-OG 2.86Å; E43-S138 WeakPolarHBondContact OE2-CA 3.31Å; E43-S138 WeakPolarHBondContact OE2-CB 3.17Å; E43-S138 PolarHBondContact OE2-OG 3.34Å; E43-I139 HydrophobicContact CG-CD1 3.8Å; E43-I139 HydrophobicContact CG-CG1 4.43Å
44M91.5Very high88.5Confident50 Ų5053 Ų5325%0.24634%0.335CS..Hα-helixtrans-65-37.5-178-167.963.568.800112.9I33 L35 H40 T41 Y47 T48I33-M44 HydrophobicContact CG2-CG 3.55Å; I33-M44 HydrophobicContact CG2-SD 4.24Å; L35-M44 HydrophobicContact CD2-CB 3.81Å; L35-M44 HydrophobicContact CD2-CG 3.66Å; H40-M44 WeakPolarHBondContact O-CB 3.4Å; H40-M44 PolarHBondContact O-N 3.16Å; T41-M44 PolarHBondContact O-N 3.07Å; M44-Y47 PolarHBondContact O-N 3.35Å; M44-Y47 HydrophobicContact SD-CD2 4.36Å; M44-T48 WeakPolarHBondContact O-CB 3.45Å; M44-T48 PolarHBondContact O-N 3.3Å; M44-T48 PolarHBondContact O-OG1 3.17Å
45L92.2Very high88.4Confident15 Ų1552.7 Ų52.78%0.07933%0.326CS..Hα-helixtrans-70-33.8176.3-70175.3000112.1L35 T41 A42 E43 Y47 T48 S49 Y60 K72 V73 L76L35-L45 HydrophobicContact CD1-CD2 4.24Å; L35-L45 HydrophobicContact CD2-CD2 4.47Å; T41-L45 HydrophobicContact CG2-CD1 3.97Å; T41-L45 HydrophobicContact CG2-CG 4.37Å; T41-L45 WeakPolarHBondContact O-CB 3.38Å; T41-L45 WeakPolarHBondContact O-CG 3.47Å; T41-L45 PolarHBondContact O-N 2.94Å; A42-L45 PolarHBondContact O-N 2.8Å; E43-L45 PolarHBondContact O-N 3.18Å; L45-Y47 VanDerWaalsContact C-N 3.33Å; L45-Y47 PolarHBondContact O-N 3.34Å; L45-T48 PolarHBondContact O-N 3.14Å; L45-S49 WeakPolarHBondContact O-CB 3.28Å; L45-S49 PolarHBondContact O-N 2.81Å; L45-Y60 HydrophobicContact CD2-CE1 4.36Å; L45-K72 HydrophobicContact CD1-CB 3.47Å; L45-K72 VanDerWaalsContact CD1-CB 3.47Å; L45-K72 HydrophobicContact CD1-CD 4.11Å; L45-K72 HydrophobicContact CD1-CG 4.4Å; L45-V73 HydrophobicContact CD2-CG2 3.93Å; L45-L76 HydrophobicContact CB-CD1 4.08Å; L45-L76 HydrophobicContact CD2-CD1 3.91Å; L45-L76 WeakPolarHBondContact O-CD1 3.41Å
46S91.7Very high88.2Confident41 Ų4153.4 Ų53.429%0.28733%0.329SS..Hα-helixtrans-57-48.8171.1-175.30000110.6A42 E43 T48 S49A42-S46 PolarHBondContact O-N 3.15Å; E43-S46 WeakPolarHBondContact O-CB 3.4Å; E43-S46 PolarHBondContact O-N 2.79Å; S46-T48 VanDerWaalsContact C-N 3.28Å; S46-T48 PolarHBondContact O-N 3Å; S46-S49 PolarHBondContact O-N 2.92Å; S46-S49 PolarHBondContact O-OG 3.02Å
47Y89.8Confident88.3Confident27 Ų2753.4 Ų53.411%0.10632%0.323CS..Hα-helixtrans-63.6-36.6176.8-51.9-27.6000112.4E43 M44 L45 S49 V50 V136 Q163 L180E43-Y47 HydrophobicContact CB-CE2 4.45Å; E43-Y47 WeakPolarHBondContact O-CD2 3.14Å; E43-Y47 PolarHBondContact O-N 2.7Å; M44-Y47 PolarHBondContact O-N 3.35Å; M44-Y47 HydrophobicContact SD-CD2 4.36Å; L45-Y47 VanDerWaalsContact C-N 3.33Å; L45-Y47 PolarHBondContact O-N 3.34Å; Y47-S49 VanDerWaalsContact C-N 3.33Å; Y47-V50 WeakPolarHBondContact O-CG2 3.36Å; Y47-V50 PolarHBondContact O-N 3.2Å; Y47-V136 HydrophobicContact CD2-CB 4.43Å; Y47-V136 HydrophobicContact CD2-CG1 4.16Å; Y47-V136 HydrophobicContact CD2-CG2 4.39Å; Y47-V136 HydrophobicContact CE2-CB 4.16Å; Y47-V136 HydrophobicContact CE2-CG1 3.53Å; Y47-Q163 PolarHBondContact OH-NE2 2.73Å; Y47-Q163 PolarHBondContact OH-OE1 2.62Å; Y47-L180 HydrophobicContact CD1-CB 3.81Å; Y47-L180 HydrophobicContact CE1-CB 3.18Å; Y47-L180 HydrophobicContact CE1-CD1 4.27Å; Y47-L180 HydrophobicContact CE1-CG 4.37Å; Y47-L180 WeakPolarHBondContact CE1-O 3.48Å
48T90.4Very high88.7Confident2 Ų251.5 Ų51.51%0.01231%0.309CS..Hα-helixtrans-69.9-33.3179.8-53.70000112.1I33 M44 L45 S46 V50 L51 Y60 L76I33-T48 HydrophobicContact CD1-CG2 3.53Å; M44-T48 WeakPolarHBondContact O-CB 3.45Å; M44-T48 PolarHBondContact O-N 3.3Å; M44-T48 PolarHBondContact O-OG1 3.17Å; L45-T48 PolarHBondContact O-N 3.14Å; S46-T48 VanDerWaalsContact C-N 3.28Å; S46-T48 PolarHBondContact O-N 3Å; T48-V50 PolarHBondContact O-N 2.79Å; T48-L51 HydrophobicContact CG2-CD1 4.37Å; T48-L51 WeakPolarHBondContact O-CB 3.44Å; T48-L51 PolarHBondContact O-N 2.81Å; T48-L51 VanDerWaalsContact O-N 3.16Å; T48-Y60 HydrophobicContact CG2-CE1 4.29Å; T48-Y60 WeakPolarHBondContact CG2-OH 3.4Å; T48-L76 HydrophobicContact CG2-CD1 4.46Å; T48-L76 HydrophobicContact CG2-CD2 4.35Å
49S90.1Very high88.9Confident63 Ų6350.3 Ų50.344%0.44129%0.291SS..Hα-helixtrans-64.7-28.5-179.875.40000113.2L45 S46 Y47L45-S49 WeakPolarHBondContact O-CB 3.28Å; L45-S49 PolarHBondContact O-N 2.81Å; S46-S49 PolarHBondContact O-N 2.92Å; S46-S49 PolarHBondContact O-OG 3.02Å; Y47-S49 VanDerWaalsContact C-N 3.33Å
50V89.4Confident89.3Confident112 Ų11248 Ų4868%0.67927%0.267SS*.THydrogen-bonded Turntrans-89.9-7.5178-58.90000113.3Y47 T48 T52Y47-V50 WeakPolarHBondContact O-CG2 3.36Å; Y47-V50 PolarHBondContact O-N 3.2Å; T48-V50 PolarHBondContact O-N 2.79Å; V50-T52 PolarHBondContact O-N 3.19Å
51L88.1Confident89.6Confident53 Ų5343.7 Ų43.728%0.27725%0.247SC..  trans-67.1127.8177.6-70.9178.1000110.7T48 Y55 R58T48-L51 HydrophobicContact CG2-CD1 4.37Å; T48-L51 WeakPolarHBondContact O-CB 3.44Å; T48-L51 PolarHBondContact O-N 2.81Å; T48-L51 VanDerWaalsContact O-N 3.16Å; L51-Y55 HydrophobicContact CB-CD2 4.38Å; L51-Y55 HydrophobicContact CD2-CD2 4.05Å; L51-Y55 HydrophobicContact CD2-CE2 4.41Å; L51-Y55 HydrophobicContact CD2-CG 4.31Å; L51-R58 PolarHBondContact O-NH2 3.47Å
52T87.3Confident89.8Confident96 Ų9643.7 Ų43.759%0.58925%0.247SC*.  trans-66.8161.2176.4-40.70000112.3V50 K54 Y55V50-T52 PolarHBondContact O-N 3.19Å; T52-K54 PolarHBondContact O-N 3.44Å; T52-Y55 PolarHBondContact O-N 3.26Å
53C84.2Confident89.9Confident75 Ų7541.5 Ų41.551%0.50723%0.229SC..THydrogen-bonded Turntrans-56.5-14.5174.6-62.10000114.9M28 Y55 Q56M28-C53 WeakPolarHBondContact CE-O 3.32Å; C53-Y55 PolarHBondContact O-N 2.81Å; C53-Q56 WeakPolarHBondContact O-CG 3.41Å; C53-Q56 PolarHBondContact O-NE2 3.38Å
54K86.8Confident89.9Confident120 Ų12042.3 Ų42.352%0.52224%0.243SC..THydrogen-bonded Turntrans-63.8-27.9172.9-174.2175.3178.6178.80112.7M28 T29 T52 Q56M28-K54 CarbonylContact C-O 3.47Å; M28-K54 WeakPolarHBondContact CA-O 3.47Å; T29-K54 PolarHBondContact N-O 2.93Å; T52-K54 PolarHBondContact O-N 3.44Å; K54-Q56 PolarHBondContact O-N 2.81Å
55Y87.3Confident89.8Confident75 Ų7544 Ų4429%0.29426%0.256SS..SBendtrans-92.565.1-174.3-64.5-75.4000111.5T29 V31 L51 T52 C53 R58T29-Y55 HydrophobicContact CG2-CD1 4.11Å; T29-Y55 HydrophobicContact CG2-CE1 4.4Å; T29-Y55 CarbonylContact O-C 3.54Å; T29-Y55 VanDerWaalsContact O-CA 3.23Å; T29-Y55 WeakPolarHBondContact O-CA 3.5Å; V31-Y55 HydrophobicContact CG2-CD1 3.81Å; V31-Y55 HydrophobicContact CG2-CG 4.22Å; L51-Y55 HydrophobicContact CB-CD2 4.38Å; L51-Y55 HydrophobicContact CD2-CD2 4.05Å; L51-Y55 HydrophobicContact CD2-CE2 4.41Å; L51-Y55 HydrophobicContact CD2-CG 4.31Å; T52-Y55 PolarHBondContact O-N 3.26Å; C53-Y55 PolarHBondContact O-N 2.81Å; Y55-R58 VanDerWaalsContact O-CG 3.28Å; Y55-R58 WeakPolarHBondContact O-CG 3.48Å
56Q85.6Confident89.7Confident25 Ų2544 Ų4412%0.11726%0.256CS..  trans-141.1160.2179.172.6177.9-65.300112.5M28 T29 C53 K54M28-Q56 HydrophobicContact CB-CG 4.32Å; M28-Q56 VanDerWaalsContact CB-O 3.26Å; M28-Q56 WeakPolarHBondContact CB-O 3.19Å; M28-Q56 HydrophobicContact CE-CG 3.66Å; M28-Q56 HydrophobicContact CG-CG 4.06Å; M28-Q56 HydrophobicContact SD-CG 3.8Å; T29-Q56 CarbonylContact C-O 3.51Å; T29-Q56 PolarHBondContact O-N 2.76Å; C53-Q56 WeakPolarHBondContact O-CG 3.41Å; C53-Q56 PolarHBondContact O-NE2 3.38Å; K54-Q56 PolarHBondContact O-N 2.81Å
57P87.1Confident89.6Confident33 Ų3345.7 Ų45.721%0.21427%0.268CS..SBendcis-66.8145.1-8.427.3-35.5000113.1R30 V31 K83R30-P57 HydrophobicContact CG-CG 3.95Å; V31-P57 PolarHBondContact N-O 3.49Å; P57-K83 CarbonylContact C-O 3.43Å; P57-K83 WeakPolarHBondContact CA-O 3.38Å; P57-K83 HydrophobicContact CB-CB 4.15Å; P57-K83 WeakPolarHBondContact CB-O 3.34Å
58R90.4Very high89.8Confident3 Ų350 Ų501%0.01129%0.29CS..EExtended strand (participates in β ladder)trans-87.7119.4176.6-63.7173-178.4179.20.5109.9I33 L51 Y55 Y60 E77 K83 F84 S85I33-R58 HydrophobicContact CD1-CB 4.47Å; L51-R58 PolarHBondContact O-NH2 3.47Å; Y55-R58 VanDerWaalsContact O-CG 3.28Å; Y55-R58 WeakPolarHBondContact O-CG 3.48Å; R58-Y60 HydrophobicContact CB-CD2 4.47Å; R58-Y60 HydrophobicContact CB-CE2 3.93Å; R58-E77 WeakPolarHBondContact CD-OE1 3.36Å; R58-E77 IonicContact CZ-OE1 3.39Å; R58-E77 IonicContact NE-OE1 3.96Å; R58-E77 IonicContact NH1-OE1 2.74Å; R58-E77 PolarHBondContact NH1-OE1 3.5Å; R58-E77 IonicContact NH1-OE2 3.83Å; R58-K83 PolarHBondContact N-O 2.96Å; R58-F84 HydrophobicContact CB-CB 4.06Å; R58-F84 CarbonylContact O-C 3.59Å; R58-F84 WeakPolarHBondContact O-CA 3.44Å; R58-F84 WeakPolarHBondContact O-CB 3.47Å; R58-S85 PolarHBondContact O-N 3.38Å
59L90.9Very high89.9Confident26 Ų2650.1 Ų50.114%0.13629%0.291CS..EExtended strand (participates in β ladder)trans-101.3105.9175.9176.862.9000109.7V31 M32 I33 V61 S85 K87 I116 F120V31-L59 PolarHBondContact O-N 3.1Å; M32-L59 CarbonylContact C-O 3.19Å; M32-L59 WeakPolarHBondContact CA-O 3.12Å; M32-L59 HydrophobicContact CG-CD2 4.23Å; M32-L59 HydrophobicContact CG-CG 4.39Å; M32-L59 HydrophobicContact SD-CD2 4.44Å; I33-L59 PolarHBondContact N-O 3.28Å; L59-V61 HydrophobicContact CG-CG2 4.36Å; L59-S85 CarbonylContact C-O 3.55Å; L59-S85 WeakPolarHBondContact CA-O 3.47Å; L59-K87 HydrophobicContact CD1-CB 4.3Å; L59-K87 HydrophobicContact CD1-CG 3.64Å; L59-I116 HydrophobicContact CD2-CG2 4.24Å; L59-F120 HydrophobicContact CB-CE2 4.38Å; L59-F120 HydrophobicContact CD2-CD2 3.82Å; L59-F120 HydrophobicContact CD2-CE2 4.28Å
60Y93.4Very high90.1Very high0 Ų049 Ų490%028%0.279CS..EExtended strand (participates in β ladder)trans-85.5125.9173.6-68.1-84.4000110.6I33 L35 L45 T48 R58 V73 E77 F84 S85 I86 K87I33-Y60 HydrophobicContact CB-CD1 3.86Å; I33-Y60 HydrophobicContact CB-CE1 4.02Å; I33-Y60 HydrophobicContact CD1-CD1 4.28Å; I33-Y60 HydrophobicContact CD1-CE1 3.66Å; I33-Y60 HydrophobicContact CG1-CE1 4.45Å; I33-Y60 HydrophobicContact CG2-CD1 3.99Å; I33-Y60 HydrophobicContact CG2-CE1 3.96Å; I33-Y60 CarbonylContact O-C 3.56Å; I33-Y60 WeakPolarHBondContact O-CA 3.26Å; L35-Y60 HydrophobicContact CD1-CD1 3.84Å; L35-Y60 HydrophobicContact CD1-CE1 4.37Å; L35-Y60 HydrophobicContact CG-CD1 4.29Å; L45-Y60 HydrophobicContact CD2-CE1 4.36Å; T48-Y60 HydrophobicContact CG2-CE1 4.29Å; T48-Y60 WeakPolarHBondContact CG2-OH 3.4Å; R58-Y60 HydrophobicContact CB-CD2 4.47Å; R58-Y60 HydrophobicContact CB-CE2 3.93Å; Y60-V73 HydrophobicContact CD1-CG1 3.97Å; Y60-V73 HydrophobicContact CD1-CG2 3.67Å; Y60-V73 HydrophobicContact CD2-CG1 3.51Å; Y60-V73 HydrophobicContact CE1-CG1 3.99Å; Y60-V73 HydrophobicContact CE1-CG2 3.81Å; Y60-V73 HydrophobicContact CE2-CG1 3.53Å; Y60-V73 HydrophobicContact CG-CG1 3.7Å; Y60-V73 HydrophobicContact CG-CG2 4.1Å; Y60-E77 HydrophobicContact CE2-CG 3.97Å; Y60-E77 PolarHBondContact OH-OE1 3.21Å; Y60-F84 HydrophobicContact CD2-CB 4.27Å; Y60-F84 HydrophobicContact CD2-CD2 4.27Å; Y60-F84 HydrophobicContact CE2-CB 4.02Å; Y60-F84 HydrophobicContact CE2-CD2 4.4Å; Y60-F84 HydrophobicContact CE2-CG 4.48Å; Y60-S85 PolarHBondContact N-O 3.41Å; Y60-I86 CarbonylContact O-C 3.55Å; Y60-I86 WeakPolarHBondContact O-CA 3.48Å; Y60-K87 PolarHBondContact O-N 3.4Å
61V93Very high90.3Very high7 Ų748.6 Ų48.64%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-109.5111.8173.6-179.20000107.8M32 I33 V34 L35 L59 K87 I89M32-V61 HydrophobicContact CG-CG2 3.94Å; M32-V61 HydrophobicContact SD-CG2 4.1Å; I33-V61 PolarHBondContact O-N 3.14Å; V34-V61 HydrophobicContact CG1-CB 4.49Å; V34-V61 HydrophobicContact CG2-CB 4.23Å; L35-V61 PolarHBondContact N-O 3.06Å; L59-V61 HydrophobicContact CG-CG2 4.36Å; V61-K87 WeakPolarHBondContact CA-O 3.06Å; V61-I89 HydrophobicContact CG1-CD1 3.49Å; V61-I89 VanDerWaalsContact CG1-CD1 3.49Å; V61-I89 HydrophobicContact CG1-CG1 3.72Å; V61-I89 HydrophobicContact CG1-CG2 4.03Å
62I94Very high90.6Very high1 Ų150.2 Ų50.21%0.00528%0.275CS..EExtended strand (participates in β ladder)trans-121.2150.2-173.1-46.9-177.3000109.1L35 D66 E70 V73 I86 K87 R88 I89L35-I62 HydrophobicContact CB-CG1 4.28Å; L35-I62 HydrophobicContact CD1-CD1 4.1Å; L35-I62 HydrophobicContact CD1-CG1 4.16Å; I62-D66 HydrophobicContact CG2-CB 4.21Å; I62-E70 HydrophobicContact CD1-CB 4.08Å; I62-E70 HydrophobicContact CD1-CG 4.29Å; I62-V73 HydrophobicContact CD1-CG2 4.04Å; I62-I86 HydrophobicContact CD1-CG2 3.77Å; I62-I86 HydrophobicContact CG1-CG2 4.13Å; I62-K87 PolarHBondContact N-O 2.83Å; I62-R88 CarbonylContact O-C 3.55Å; I62-R88 WeakPolarHBondContact O-CA 3.37Å; I62-I89 PolarHBondContact O-N 2.85Å
63A92.8Very high90.9Very high7 Ų745.7 Ų45.76%0.05825%0.247CC..EExtended strand (participates in β ladder)trans-63.2135.6169.600000110.7T65 D66 I89 R91A63-T65 PolarHBondContact O-N 3.22Å; A63-T65 VanDerWaalsContact O-N 3.12Å; A63-D66 HydrophobicContact CB-CB 4.02Å; A63-D66 PolarHBondContact O-N 3.43Å; A63-I89 CarbonylContact C-O 3.4Å; A63-I89 WeakPolarHBondContact CA-O 3.32Å; A63-R91 HydrophobicContact CB-CB 3.87Å; A63-R91 HydrophobicContact CB-CG 3.78Å
64A91.3Very high91.4Very high58 Ų5845 Ų4548%0.47924%0.238SC..THydrogen-bonded Turntrans-59.6-25.5179.200000113.2R88 I89A64-R88 HydrophobicContact CB-CB 4.27Å; A64-I89 PolarHBondContact N-O 2.86Å
65T90.1Very high91.7Very high86 Ų8643.8 Ų43.853%0.52824%0.237SC..THydrogen-bonded Turntrans-86.7-2.2177.9500000113.7A63 E94A63-T65 PolarHBondContact O-N 3.22Å; A63-T65 VanDerWaalsContact O-N 3.12Å; T65-E94 WeakPolarHBondContact CG2-OE1 3.35Å; T65-E94 PolarHBondContact OG1-OE1 3.41Å
66D90.4Very high92Very high15 Ų1541.1 Ų41.18%0.0823%0.228CC..  trans-11174.7-173.1-162.1-15.3000113.5S37 I62 A63 M68 S69 E70 R91S37-D66 WeakPolarHBondContact CA-OD2 3.29Å; I62-D66 HydrophobicContact CG2-CB 4.21Å; A63-D66 HydrophobicContact CB-CB 4.02Å; A63-D66 PolarHBondContact O-N 3.43Å; D66-M68 VanDerWaalsContact C-N 3.26Å; D66-M68 PolarHBondContact O-N 2.9Å; D66-M68 PolarHBondContact OD1-N 2.86Å; D66-S69 VanDerWaalsContact CG-CB 3.47Å; D66-S69 WeakPolarHBondContact OD1-CB 3.48Å; D66-S69 PolarHBondContact OD1-N 2.8Å; D66-S69 PolarHBondContact OD1-OG 2.98Å; D66-S69 VanDerWaalsContact OD1-OG 3.09Å; D66-S69 PolarHBondContact OD2-OG 2.88Å; D66-E70 PolarHBondContact O-N 3.45Å; D66-R91 IonicContact OD2-CZ 3.94Å; D66-R91 IonicContact OD2-NH2 3.63Å; D66-R91 PolarHBondContact OD2-NH2 3.32Å
67S90.2Very high92.3Very high75 Ų7540 Ų4052%0.52422%0.222SC..Hα-helixtrans-65.4-28.2175.8-50.40000113.1E70 Q71S67-E70 PolarHBondContact O-N 3.42Å; S67-Q71 WeakPolarHBondContact O-CG 3.41Å; S67-Q71 PolarHBondContact O-N 3.11Å
68M92.1Very high92.5Very high118 Ų11844.4 Ų44.458%0.58124%0.244SC*.Hα-helixtrans-68.6-43.6-179.7-66.6-58.1-58.400111.6D66 E70 Q71 K72D66-M68 VanDerWaalsContact C-N 3.26Å; D66-M68 PolarHBondContact O-N 2.9Å; D66-M68 PolarHBondContact OD1-N 2.86Å; M68-E70 VanDerWaalsContact C-N 3.28Å; M68-E70 PolarHBondContact O-N 2.81Å; M68-Q71 PolarHBondContact O-N 3.13Å; M68-K72 WeakPolarHBondContact O-CG 3.44Å; M68-K72 PolarHBondContact O-N 2.87Å
69S92.9Very high92.4Very high4 Ų452.6 Ų52.63%0.02828%0.28CS..Hα-helixtrans-66.2-33.6176-63.80000111.7G36 T41 D66 K72 V73G36-S69 PolarHBondContact O-OG 3.05Å; G36-S69 VanDerWaalsContact O-OG 3.12Å; T41-S69 WeakPolarHBondContact CG2-OG 3.35Å; D66-S69 VanDerWaalsContact CG-CB 3.47Å; D66-S69 WeakPolarHBondContact OD1-CB 3.48Å; D66-S69 PolarHBondContact OD1-N 2.8Å; D66-S69 PolarHBondContact OD1-OG 2.98Å; D66-S69 VanDerWaalsContact OD1-OG 3.09Å; D66-S69 PolarHBondContact OD2-OG 2.88Å; S69-K72 PolarHBondContact O-N 3.02Å; S69-V73 WeakPolarHBondContact O-CG2 3.38Å; S69-V73 PolarHBondContact O-N 3.46Å
70E93.9Very high91.9Very high39 Ų3953.8 Ų53.818%0.18229%0.29CS..Hα-helixtrans-64.6-47.7174.4-168.9-178.7144.700112.4I62 D66 S67 M68 K72 V73 L74 I86 R88I62-E70 HydrophobicContact CD1-CB 4.08Å; I62-E70 HydrophobicContact CD1-CG 4.29Å; D66-E70 PolarHBondContact O-N 3.45Å; S67-E70 PolarHBondContact O-N 3.42Å; M68-E70 VanDerWaalsContact C-N 3.28Å; M68-E70 PolarHBondContact O-N 2.81Å; E70-K72 VanDerWaalsContact C-N 3.29Å; E70-K72 PolarHBondContact O-N 3.03Å; E70-V73 WeakPolarHBondContact O-CB 3.23Å; E70-V73 PolarHBondContact O-N 3.37Å; E70-V73 VanDerWaalsContact O-N 3.1Å; E70-L74 WeakPolarHBondContact O-CG 3.34Å; E70-L74 PolarHBondContact O-N 3.1Å; E70-L74 VanDerWaalsContact O-N 3.09Å; E70-I86 HydrophobicContact CG-CD1 3.98Å; E70-R88 IonicContact OE1-CZ 3.28Å; E70-R88 IonicContact OE1-NE 2.79Å; E70-R88 IonicContact OE1-NH2 3Å; E70-R88 PolarHBondContact OE1-NH2 2.71Å; E70-R88 IonicContact OE2-CZ 2.6Å; E70-R88 VanDerWaalsContact OE2-CZ 3.28Å; E70-R88 IonicContact OE2-NE 2.62Å; E70-R88 PolarHBondContact OE2-NE 2.97Å; E70-R88 IonicContact OE2-NH2 3.64Å; E70-R88 PolarHBondContact OE2-NH2 3.12Å
71Q94.4Very high91.4Very high105 Ų10561.3 Ų61.349%0.49133%0.33SS..Hα-helixtrans-57.2-43.5176.5-73.6174.7-500111.7S67 M68 V73 L74 D75S67-Q71 WeakPolarHBondContact O-CG 3.41Å; S67-Q71 PolarHBondContact O-N 3.11Å; M68-Q71 PolarHBondContact O-N 3.13Å; Q71-V73 VanDerWaalsContact C-N 3.28Å; Q71-V73 PolarHBondContact O-N 3.21Å; Q71-L74 WeakPolarHBondContact O-CB 3.42Å; Q71-L74 PolarHBondContact O-N 3.34Å; Q71-L74 VanDerWaalsContact O-N 3.11Å; Q71-D75 VanDerWaalsContact O-CG 3.25Å; Q71-D75 PolarHBondContact O-N 3.05Å
72K94.3Very high91.1Very high87 Ų8761.6 Ų61.638%0.37833%0.331SS..Hα-helixtrans-62.3-32.8177.6-68.5177.3179.1-176.90113.7L45 M68 S69 E70 L76L45-K72 HydrophobicContact CD1-CB 3.47Å; L45-K72 VanDerWaalsContact CD1-CB 3.47Å; L45-K72 HydrophobicContact CD1-CD 4.11Å; L45-K72 HydrophobicContact CD1-CG 4.4Å; M68-K72 WeakPolarHBondContact O-CG 3.44Å; M68-K72 PolarHBondContact O-N 2.87Å; S69-K72 PolarHBondContact O-N 3.02Å; E70-K72 VanDerWaalsContact C-N 3.29Å; E70-K72 PolarHBondContact O-N 3.03Å; K72-L76 WeakPolarHBondContact O-CB 3.26Å; K72-L76 PolarHBondContact O-N 3.38Å; K72-L76 VanDerWaalsContact O-N 3.1Å
73V94.3Very high90.9Very high0 Ų067.6 Ų67.60%036%0.358CS..Hα-helixtrans-67.8-45.9173.8169.10000110.3L35 L45 Y60 I62 S69 E70 Q71 D75 L76 E77 I86L35-V73 HydrophobicContact CD1-CG2 3.18Å; L45-V73 HydrophobicContact CD2-CG2 3.93Å; Y60-V73 HydrophobicContact CD1-CG1 3.97Å; Y60-V73 HydrophobicContact CD1-CG2 3.67Å; Y60-V73 HydrophobicContact CD2-CG1 3.51Å; Y60-V73 HydrophobicContact CE1-CG1 3.99Å; Y60-V73 HydrophobicContact CE1-CG2 3.81Å; Y60-V73 HydrophobicContact CE2-CG1 3.53Å; Y60-V73 HydrophobicContact CG-CG1 3.7Å; Y60-V73 HydrophobicContact CG-CG2 4.1Å; I62-V73 HydrophobicContact CD1-CG2 4.04Å; S69-V73 WeakPolarHBondContact O-CG2 3.38Å; S69-V73 PolarHBondContact O-N 3.46Å; E70-V73 WeakPolarHBondContact O-CB 3.23Å; E70-V73 PolarHBondContact O-N 3.37Å; E70-V73 VanDerWaalsContact O-N 3.1Å; Q71-V73 VanDerWaalsContact C-N 3.28Å; Q71-V73 PolarHBondContact O-N 3.21Å; V73-D75 VanDerWaalsContact C-N 3.31Å; V73-D75 PolarHBondContact O-N 3.45Å; V73-L76 PolarHBondContact O-N 3.11Å; V73-E77 HydrophobicContact CG1-CG 4.3Å; V73-E77 WeakPolarHBondContact O-CB 3.39Å; V73-E77 WeakPolarHBondContact O-CG 3.4Å; V73-E77 PolarHBondContact O-N 3.1Å; V73-I86 HydrophobicContact CG1-CD1 4.02Å; V73-I86 HydrophobicContact CG1-CG1 4.39Å
74L94.3Very high90.9Very high61 Ų6170.5 Ų70.532%0.31937%0.369SS..Hα-helixtrans-60-44.4177.4-62.5173.6000110.7E70 Q71 L76 E77 N78 F84 I86E70-L74 WeakPolarHBondContact O-CG 3.34Å; E70-L74 PolarHBondContact O-N 3.1Å; E70-L74 VanDerWaalsContact O-N 3.09Å; Q71-L74 WeakPolarHBondContact O-CB 3.42Å; Q71-L74 PolarHBondContact O-N 3.34Å; Q71-L74 VanDerWaalsContact O-N 3.11Å; L74-L76 VanDerWaalsContact C-N 3.3Å; L74-L76 PolarHBondContact O-N 3.09Å; L74-E77 PolarHBondContact O-N 3.16Å; L74-N78 WeakPolarHBondContact O-CB 3.22Å; L74-N78 PolarHBondContact O-N 2.89Å; L74-N78 PolarHBondContact O-ND2 2.59Å; L74-N78 VanDerWaalsContact O-ND2 3.14Å; L74-F84 HydrophobicContact CD2-CE2 3.97Å; L74-F84 HydrophobicContact CD2-CZ 3.95Å; L74-I86 HydrophobicContact CD2-CD1 3.99Å; L74-I86 HydrophobicContact CG-CD1 4.45Å
75D93.8Very high91Very high94 Ų9470.8 Ų70.850%0.50337%0.368SS..Hα-helixtrans-63-33.8177.4-65.6-22.6000113.3Q71 V73 K79Q71-D75 VanDerWaalsContact O-CG 3.25Å; Q71-D75 PolarHBondContact O-N 3.05Å; V73-D75 VanDerWaalsContact C-N 3.31Å; V73-D75 PolarHBondContact O-N 3.45Å; D75-K79 WeakPolarHBondContact O-CD 3.32Å; D75-K79 WeakPolarHBondContact O-CE 3.43Å; D75-K79 WeakPolarHBondContact O-CG 3.18Å
76L92.7Very high91.2Very high19 Ų1968.4 Ų68.410%0.09935%0.351CS..Hα-helixtrans-72.7-49.4175.6-174158.7000110.5L45 T48 K72 V73 L74 K79 C80L45-L76 HydrophobicContact CB-CD1 4.08Å; L45-L76 HydrophobicContact CD2-CD1 3.91Å; L45-L76 WeakPolarHBondContact O-CD1 3.41Å; T48-L76 HydrophobicContact CG2-CD1 4.46Å; T48-L76 HydrophobicContact CG2-CD2 4.35Å; K72-L76 WeakPolarHBondContact O-CB 3.26Å; K72-L76 PolarHBondContact O-N 3.38Å; K72-L76 VanDerWaalsContact O-N 3.1Å; V73-L76 PolarHBondContact O-N 3.11Å; L74-L76 VanDerWaalsContact C-N 3.3Å; L74-L76 PolarHBondContact O-N 3.09Å; L76-K79 WeakPolarHBondContact O-CB 3.41Å; L76-K79 PolarHBondContact O-N 2.74Å; L76-K79 VanDerWaalsContact O-N 3.13Å; L76-C80 PolarHBondContact O-N 3.3Å
77E92.3Very high91.3Very high2 Ų273.1 Ų73.11%0.00937%0.371CS..Hα-helixtrans-73.5-31.2-173.8-69.9-62.2164.400113.2R58 Y60 V73 L74 K79 C80 D81 T82 F84R58-E77 WeakPolarHBondContact CD-OE1 3.36Å; R58-E77 IonicContact CZ-OE1 3.39Å; R58-E77 IonicContact NE-OE1 3.96Å; R58-E77 IonicContact NH1-OE1 2.74Å; R58-E77 PolarHBondContact NH1-OE1 3.5Å; R58-E77 IonicContact NH1-OE2 3.83Å; Y60-E77 HydrophobicContact CE2-CG 3.97Å; Y60-E77 PolarHBondContact OH-OE1 3.21Å; V73-E77 HydrophobicContact CG1-CG 4.3Å; V73-E77 WeakPolarHBondContact O-CB 3.39Å; V73-E77 WeakPolarHBondContact O-CG 3.4Å; V73-E77 PolarHBondContact O-N 3.1Å; L74-E77 PolarHBondContact O-N 3.16Å; E77-K79 PolarHBondContact O-N 2.73Å; E77-K79 VanDerWaalsContact O-N 3.11Å; E77-C80 PolarHBondContact O-N 3.23Å; E77-D81 PolarHBondContact O-N 3.35Å; E77-T82 PolarHBondContact OE2-OG1 3.02Å; E77-F84 HydrophobicContact CB-CD1 3.5Å; E77-F84 VanDerWaalsContact CB-CD1 3.5Å; E77-F84 HydrophobicContact CB-CE1 3.4Å; E77-F84 VanDerWaalsContact CB-CE1 3.4Å; E77-F84 HydrophobicContact CB-CE2 4.42Å; E77-F84 HydrophobicContact CB-CG 4.09Å; E77-F84 HydrophobicContact CB-CZ 3.9Å; E77-F84 HydrophobicContact CG-CB 4.18Å; E77-F84 HydrophobicContact CG-CD1 3.64Å; E77-F84 HydrophobicContact CG-CD2 4.16Å; E77-F84 HydrophobicContact CG-CE1 4.02Å; E77-F84 HydrophobicContact CG-CE2 4.48Å; E77-F84 HydrophobicContact CG-CG 3.73Å; E77-F84 HydrophobicContact CG-CZ 4.42Å
78N90.4Very high91.6Very high125 Ų12576.3 Ų76.367%0.66837%0.372SS*.Hα-helixtrans-58-23169.9-73.5-19.7000112.6L74L74-N78 WeakPolarHBondContact O-CB 3.22Å; L74-N78 PolarHBondContact O-N 2.89Å; L74-N78 PolarHBondContact O-ND2 2.59Å; L74-N78 VanDerWaalsContact O-ND2 3.14Å
79K88.8Confident91.6Very high176 Ų17671.8 Ų71.877%0.76535%0.35SS*.Hα-helixtrans-86.1-28.6175.7-62.6170.7-175.6178.20113.1D75 L76 E77D75-K79 WeakPolarHBondContact O-CD 3.32Å; D75-K79 WeakPolarHBondContact O-CE 3.43Å; D75-K79 WeakPolarHBondContact O-CG 3.18Å; L76-K79 WeakPolarHBondContact O-CB 3.41Å; L76-K79 PolarHBondContact O-N 2.74Å; L76-K79 VanDerWaalsContact O-N 3.13Å; E77-K79 PolarHBondContact O-N 2.73Å; E77-K79 VanDerWaalsContact O-N 3.11Å
80C81.1Confident91.6Very high50 Ų5073.6 Ų73.634%0.33836%0.361SS..Hα-helixtrans-103.2-11.3-170.1-63.50000114.3L76 E77 T82L76-C80 PolarHBondContact O-N 3.3Å; E77-C80 PolarHBondContact O-N 3.23Å; C80-T82 HydrophobicContact CB-CG2 3.74Å; C80-T82 WeakPolarHBondContact O-CG2 3.47Å; C80-T82 PolarHBondContact O-N 2.85Å; C80-T82 VanDerWaalsContact O-N 3.16Å
81D82.3Confident91.4Very high159 Ų15973.5 Ų73.585%0.8536%0.359SS*.THydrogen-bonded Turntrans45.443-177.9-16436.3000113.2E77E77-D81 PolarHBondContact O-N 3.35Å
82T86.5Confident91.1Very high12 Ų1270.5 Ų70.57%0.07435%0.353CS..  trans-96.9154.4179.584.10000111.5E77 C80 F84E77-T82 PolarHBondContact OE2-OG1 3.02Å; C80-T82 HydrophobicContact CB-CG2 3.74Å; C80-T82 WeakPolarHBondContact O-CG2 3.47Å; C80-T82 PolarHBondContact O-N 2.85Å; C80-T82 VanDerWaalsContact O-N 3.16Å; T82-F84 WeakPolarHBondContact O-CD1 3.44Å; T82-F84 PolarHBondContact O-N 3.39Å; T82-F84 VanDerWaalsContact O-N 3.15Å
83K90.4Very high90.9Very high128 Ų12872.1 Ų72.156%0.55736%0.356SS*.  trans-68.9112.8172.3-65.3176.6-175.9174.20109.2D25 P57 R58D25-K83 IonicContact OD2-NZ 3.75Å; P57-K83 CarbonylContact C-O 3.43Å; P57-K83 WeakPolarHBondContact CA-O 3.38Å; P57-K83 HydrophobicContact CB-CB 4.15Å; P57-K83 WeakPolarHBondContact CB-O 3.34Å; R58-K83 PolarHBondContact N-O 2.96Å
84F92.3Very high90.5Very high67 Ų6775.2 Ų75.229%0.29437%0.371SS..EExtended strand (participates in β ladder)trans-129.5165.3175.774.9-83.4000113R58 Y60 L74 E77 T82 I86R58-F84 HydrophobicContact CB-CB 4.06Å; R58-F84 CarbonylContact O-C 3.59Å; R58-F84 WeakPolarHBondContact O-CA 3.44Å; R58-F84 WeakPolarHBondContact O-CB 3.47Å; Y60-F84 HydrophobicContact CD2-CB 4.27Å; Y60-F84 HydrophobicContact CD2-CD2 4.27Å; Y60-F84 HydrophobicContact CE2-CB 4.02Å; Y60-F84 HydrophobicContact CE2-CD2 4.4Å; Y60-F84 HydrophobicContact CE2-CG 4.48Å; L74-F84 HydrophobicContact CD2-CE2 3.97Å; L74-F84 HydrophobicContact CD2-CZ 3.95Å; E77-F84 HydrophobicContact CB-CD1 3.5Å; E77-F84 VanDerWaalsContact CB-CD1 3.5Å; E77-F84 HydrophobicContact CB-CE1 3.4Å; E77-F84 VanDerWaalsContact CB-CE1 3.4Å; E77-F84 HydrophobicContact CB-CE2 4.42Å; E77-F84 HydrophobicContact CB-CG 4.09Å; E77-F84 HydrophobicContact CB-CZ 3.9Å; E77-F84 HydrophobicContact CG-CB 4.18Å; E77-F84 HydrophobicContact CG-CD1 3.64Å; E77-F84 HydrophobicContact CG-CD2 4.16Å; E77-F84 HydrophobicContact CG-CE1 4.02Å; E77-F84 HydrophobicContact CG-CE2 4.48Å; E77-F84 HydrophobicContact CG-CG 3.73Å; E77-F84 HydrophobicContact CG-CZ 4.42Å; T82-F84 WeakPolarHBondContact O-CD1 3.44Å; T82-F84 PolarHBondContact O-N 3.39Å; T82-F84 VanDerWaalsContact O-N 3.15Å; F84-I86 HydrophobicContact CD2-CD1 4.49Å; F84-I86 HydrophobicContact CD2-CG1 4.08Å; F84-I86 HydrophobicContact CE2-CD1 4.03Å; F84-I86 HydrophobicContact CE2-CG1 4.06Å
85S92.8Very high89.9Confident65 Ų6576.8 Ų76.846%0.45538%0.383SS..EExtended strand (participates in β ladder)trans-147.9137.9175.9-68.70000109.8R58 L59 Y60R58-S85 PolarHBondContact O-N 3.38Å; L59-S85 CarbonylContact C-O 3.55Å; L59-S85 WeakPolarHBondContact CA-O 3.47Å; Y60-S85 PolarHBondContact N-O 3.41Å
86I94.7Very high89.6Confident35 Ų3582.1 Ų82.118%0.17940%0.401CS..EExtended strand (participates in β ladder)trans-107.2132.1179-54.2-179.6000109.5Y60 I62 E70 V73 L74 F84Y60-I86 CarbonylContact O-C 3.55Å; Y60-I86 WeakPolarHBondContact O-CA 3.48Å; I62-I86 HydrophobicContact CD1-CG2 3.77Å; I62-I86 HydrophobicContact CG1-CG2 4.13Å; E70-I86 HydrophobicContact CG-CD1 3.98Å; V73-I86 HydrophobicContact CG1-CD1 4.02Å; V73-I86 HydrophobicContact CG1-CG1 4.39Å; L74-I86 HydrophobicContact CD2-CD1 3.99Å; L74-I86 HydrophobicContact CG-CD1 4.45Å; F84-I86 HydrophobicContact CD2-CD1 4.49Å; F84-I86 HydrophobicContact CD2-CG1 4.08Å; F84-I86 HydrophobicContact CE2-CD1 4.03Å; F84-I86 HydrophobicContact CE2-CG1 4.06Å
87K93.9Very high89.3Confident114 Ų11483.3 Ų83.350%0.49641%0.407SS..EExtended strand (participates in β ladder)trans-121.6129.3171.8-71.1-65.4-178.8-173.30109.8L59 Y60 V61 I62 I116L59-K87 HydrophobicContact CD1-CB 4.3Å; L59-K87 HydrophobicContact CD1-CG 3.64Å; Y60-K87 PolarHBondContact O-N 3.4Å; V61-K87 WeakPolarHBondContact CA-O 3.06Å; I62-K87 PolarHBondContact N-O 2.83Å; K87-I116 HydrophobicContact CB-CD1 4.48Å
88R94.7Very high89.2Confident142 Ų14286.6 Ų86.654%0.53643%0.429SS..EExtended strand (participates in β ladder)trans-97.3130.5179.6-60.6-178.9-171.689.1-4.6109.3I62 A64 E70I62-R88 CarbonylContact O-C 3.55Å; I62-R88 WeakPolarHBondContact O-CA 3.37Å; A64-R88 HydrophobicContact CB-CB 4.27Å; E70-R88 IonicContact OE1-CZ 3.28Å; E70-R88 IonicContact OE1-NE 2.79Å; E70-R88 IonicContact OE1-NH2 3Å; E70-R88 PolarHBondContact OE1-NH2 2.71Å; E70-R88 IonicContact OE2-CZ 2.6Å; E70-R88 VanDerWaalsContact OE2-CZ 3.28Å; E70-R88 IonicContact OE2-NE 2.62Å; E70-R88 PolarHBondContact OE2-NE 2.97Å; E70-R88 IonicContact OE2-NH2 3.64Å; E70-R88 PolarHBondContact OE2-NH2 3.12Å
89I93.6Very high89.1Confident24 Ų2489.7 Ų89.712%0.12343%0.433CS..EExtended strand (participates in β ladder)trans-125.8154.7175.759.6166.5000110.3V61 I62 A63 A64 R91 I116V61-I89 HydrophobicContact CG1-CD1 3.49Å; V61-I89 VanDerWaalsContact CG1-CD1 3.49Å; V61-I89 HydrophobicContact CG1-CG1 3.72Å; V61-I89 HydrophobicContact CG1-CG2 4.03Å; I62-I89 PolarHBondContact O-N 2.85Å; A63-I89 CarbonylContact C-O 3.4Å; A63-I89 WeakPolarHBondContact CA-O 3.32Å; A64-I89 PolarHBondContact N-O 2.86Å; I89-R91 PolarHBondContact O-N 2.92Å; I89-I116 HydrophobicContact CG2-CD1 3.49Å; I89-I116 VanDerWaalsContact CG2-CD1 3.49Å
90P92.5Very high89.1Confident42 Ų4285 Ų8527%0.27343%0.427SS..  trans-55.4142.2169.6-22.333.3000110.3V108 S109 F112P90-V108 HydrophobicContact CB-CG1 4.48Å; P90-V108 HydrophobicContact CG-CG1 4.4Å; P90-S109 VanDerWaalsContact C-OG 3.24Å; P90-S109 WeakPolarHBondContact O-CB 3.46Å; P90-S109 PolarHBondContact O-OG 2.85Å; P90-F112 HydrophobicContact CG-CB 4.33Å; P90-F112 HydrophobicContact CG-CD1 4.32Å; P90-F112 HydrophobicContact CG-CD2 3.86Å; P90-F112 HydrophobicContact CG-CE2 4.2Å; P90-F112 HydrophobicContact CG-CG 3.91Å
91R90.1Very high89.3Confident37 Ų3785 Ų8514%0.1443%0.428CS..  trans-73.2130.4179.4-159.5173.5-144.6140.825110.5S37 A63 D66 I89 R93 E94 S109S37-R91 PolarHBondContact OG-NH2 2.61Å; A63-R91 HydrophobicContact CB-CB 3.87Å; A63-R91 HydrophobicContact CB-CG 3.78Å; D66-R91 IonicContact OD2-CZ 3.94Å; D66-R91 IonicContact OD2-NH2 3.63Å; D66-R91 PolarHBondContact OD2-NH2 3.32Å; I89-R91 PolarHBondContact O-N 2.92Å; R91-R93 VanDerWaalsContact C-N 3.26Å; R91-R93 WeakPolarHBondContact CD-O 3.28Å; R91-R93 WeakPolarHBondContact CG-O 3.1Å; R91-R93 PolarHBondContact O-N 2.83Å; R91-E94 VanDerWaalsContact CB-OE1 3.27Å; R91-E94 WeakPolarHBondContact CB-OE1 3.49Å; R91-E94 WeakPolarHBondContact CD-OE1 3.32Å; R91-E94 WeakPolarHBondContact CD-OE2 3.34Å; R91-E94 IonicContact NE-OE2 3.89Å; R91-E94 IonicContact NH1-OE2 3.54Å; R91-E94 PolarHBondContact NH1-OE2 3.48Å; R91-S109 PolarHBondContact O-OG 2.81Å
92A88.4Confident89.7Confident42 Ų4277.8 Ų77.835%0.34739%0.39SS..SBendtrans-62.3-36.2-179.700000112.3S105 T106 S109A92-S105 CarbonylContact O-C 3.56Å; A92-S105 WeakPolarHBondContact O-CB 3.38Å; A92-S105 PolarHBondContact O-OG 2.97Å; A92-T106 HydrophobicContact CB-CG2 4.46Å; A92-T106 PolarHBondContact O-N 3.28Å; A92-T106 VanDerWaalsContact O-N 3.11Å; A92-T106 PolarHBondContact O-OG1 3.04Å; A92-T106 VanDerWaalsContact O-OG1 3.06Å; A92-S109 VanDerWaalsContact CA-OG 3.23Å; A92-S109 WeakPolarHBondContact CA-OG 3.47Å; A92-S109 PolarHBondContact N-OG 2.68Å; A92-S109 VanDerWaalsContact N-OG 3.09Å
93R89.2Confident90Very high120 Ų12082.6 Ų82.645%0.45341%0.414SS..SBendtrans-149.8126.5175.1-178.1175.683.597.13.5110.8R91 Q97 S102R91-R93 VanDerWaalsContact C-N 3.26Å; R91-R93 WeakPolarHBondContact CD-O 3.28Å; R91-R93 WeakPolarHBondContact CG-O 3.1Å; R91-R93 PolarHBondContact O-N 2.83Å; R93-Q97 HydrophobicContact CG-CB 4.16Å; R93-S102 VanDerWaalsContact CD-OG 3.25Å; R93-S102 WeakPolarHBondContact CD-OG 3.23Å; R93-S102 VanDerWaalsContact CG-OG 3.24Å; R93-S102 WeakPolarHBondContact CG-OG 3.35Å
94E86.2Confident90.1Very high65 Ų6583.8 Ų83.830%0.30442%0.42SS..  trans-77.2154.2173.7-70.4-62.5167.500112.7T65 R91 K96 Q97T65-E94 WeakPolarHBondContact CG2-OE1 3.35Å; T65-E94 PolarHBondContact OG1-OE1 3.41Å; R91-E94 VanDerWaalsContact CB-OE1 3.27Å; R91-E94 WeakPolarHBondContact CB-OE1 3.49Å; R91-E94 WeakPolarHBondContact CD-OE1 3.32Å; R91-E94 WeakPolarHBondContact CD-OE2 3.34Å; R91-E94 IonicContact NE-OE2 3.89Å; R91-E94 IonicContact NH1-OE2 3.54Å; R91-E94 PolarHBondContact NH1-OE2 3.48Å; E94-K96 PolarHBondContact O-N 3.43Å; E94-Q97 HydrophobicContact CB-CB 4.14Å; E94-Q97 WeakPolarHBondContact O-CB 3.23Å; E94-Q97 PolarHBondContact O-N 3.09Å
95V82.1Confident90Very high95 Ų9581.7 Ų81.758%0.57641%0.413SS*.THydrogen-bonded Turntrans-63.8126178.7-176.90000108.4Q97V95-Q97 VanDerWaalsContact C-N 3.29Å; V95-Q97 PolarHBondContact O-N 2.9Å
96K86Confident89.9Confident206 Ų20681.7 Ų81.790%0.89641%0.41SS*.THydrogen-bonded Turntrans71.17.7-173-53.2170.1-179.3179.90116E94E94-K96 PolarHBondContact O-N 3.43Å
97Q86.3Confident89.8Confident44 Ų4485.1 Ų85.121%0.20643%0.428CS..  trans-67.2141.3172.1-172.3-178.56.200111.5R93 E94 V95 S101 S105R93-Q97 HydrophobicContact CG-CB 4.16Å; E94-Q97 HydrophobicContact CB-CB 4.14Å; E94-Q97 WeakPolarHBondContact O-CB 3.23Å; E94-Q97 PolarHBondContact O-N 3.09Å; V95-Q97 VanDerWaalsContact C-N 3.29Å; V95-Q97 PolarHBondContact O-N 2.9Å; Q97-S101 WeakPolarHBondContact CG-OG 3.34Å; Q97-S101 VanDerWaalsContact NE2-C 3.28Å; Q97-S101 PolarHBondContact NE2-O 3.42Å; Q97-S101 PolarHBondContact NE2-OG 2.89Å; Q97-S105 PolarHBondContact NE2-OG 3.19Å; Q97-S105 PolarHBondContact OE1-OG 3.39Å
98S90.6Very high89.8Confident70 Ų7081.6 Ų81.649%0.4942%0.417SS..  trans-65.7145.7176.269.30000111.8A100 S101 S102S98-A100 VanDerWaalsContact C-N 3.27Å; S98-A100 PolarHBondContact O-N 3.49Å; S98-S101 PolarHBondContact O-N 2.98Å; S98-S101 PolarHBondContact O-OG 3.33Å; S98-S101 VanDerWaalsContact O-OG 3.08Å; S98-S101 WeakPolarHBondContact OG-CB 3.46Å; S98-S101 PolarHBondContact OG-N 3.16Å; S98-S101 PolarHBondContact OG-OG 3.36Å; S98-S102 WeakPolarHBondContact O-CB 3.27Å; S98-S102 PolarHBondContact O-N 3.01Å; S98-S102 PolarHBondContact O-OG 3.22Å
99Y88Confident89.7Confident190 Ų19075.1 Ų75.175%0.74539%0.393SS*.Hα-helixtrans-58.3-37.6179.7-72.6-77.5000113S102Y99-S102 WeakPolarHBondContact O-CB 3.37Å; Y99-S102 PolarHBondContact O-N 3.35Å
100A89Confident89.5Confident77 Ų7777.7 Ų77.764%0.63641%0.412SS*.Hα-helixtrans-64.1-49.4179.200000112.1S98 S102 I103S98-A100 VanDerWaalsContact C-N 3.27Å; S98-A100 PolarHBondContact O-N 3.49Å; A100-S102 PolarHBondContact O-N 2.91Å; A100-I103 PolarHBondContact O-N 2.88Å
101S86.9Confident89.5Confident51 Ų5181.9 Ų81.936%0.35743%0.431SS..Hα-helixtrans-68.2-25.2177.264.70000112.6Q97 S98 I103 F104 S105Q97-S101 WeakPolarHBondContact CG-OG 3.34Å; Q97-S101 VanDerWaalsContact NE2-C 3.28Å; Q97-S101 PolarHBondContact NE2-O 3.42Å; Q97-S101 PolarHBondContact NE2-OG 2.89Å; S98-S101 PolarHBondContact O-N 2.98Å; S98-S101 PolarHBondContact O-OG 3.33Å; S98-S101 VanDerWaalsContact O-OG 3.08Å; S98-S101 WeakPolarHBondContact OG-CB 3.46Å; S98-S101 PolarHBondContact OG-N 3.16Å; S98-S101 PolarHBondContact OG-OG 3.36Å; S101-I103 PolarHBondContact O-N 3.32Å; S101-F104 PolarHBondContact O-N 3.09Å; S101-S105 PolarHBondContact O-N 3.38Å
102S90.6Very high89.5Confident8 Ų885.8 Ų85.86%0.05645%0.45CS..Hα-helixtrans-64.5-25178.2-56.20000113.1R93 S98 Y99 A100 S105 T106R93-S102 VanDerWaalsContact CD-OG 3.25Å; R93-S102 WeakPolarHBondContact CD-OG 3.23Å; R93-S102 VanDerWaalsContact CG-OG 3.24Å; R93-S102 WeakPolarHBondContact CG-OG 3.35Å; S98-S102 WeakPolarHBondContact O-CB 3.27Å; S98-S102 PolarHBondContact O-N 3.01Å; S98-S102 PolarHBondContact O-OG 3.22Å; Y99-S102 WeakPolarHBondContact O-CB 3.37Å; Y99-S102 PolarHBondContact O-N 3.35Å; A100-S102 PolarHBondContact O-N 2.91Å; S102-S105 WeakPolarHBondContact CA-OG 3.32Å; S102-S105 PolarHBondContact O-OG 2.74Å; S102-S105 VanDerWaalsContact O-OG 3.1Å; S102-T106 WeakPolarHBondContact O-CB 3.39Å; S102-T106 PolarHBondContact O-N 3.21Å; S102-T106 PolarHBondContact O-OG1 3.48Å
103I91.6Very high89.6Confident113 Ų11385 Ų8558%0.57944%0.443SS*.Hα-helixtrans-61.4-48.7178.6-61.9168.6000109.6A100 S101 T106 L107A100-I103 PolarHBondContact O-N 2.88Å; S101-I103 PolarHBondContact O-N 3.32Å; I103-T106 PolarHBondContact O-N 3.16Å; I103-L107 HydrophobicContact CG2-CD1 4.34Å; I103-L107 WeakPolarHBondContact O-CG 3.43Å; I103-L107 PolarHBondContact O-N 3.37Å
104F91.8Very high89.6Confident153 Ų15385.9 Ų85.967%0.67145%0.45SS*.Hα-helixtrans-66.2-47.4-178.6-176.5-99.5000111.8S101 T106 L107 V108S101-F104 PolarHBondContact O-N 3.09Å; F104-T106 VanDerWaalsContact C-N 3.26Å; F104-T106 PolarHBondContact O-N 2.8Å; F104-L107 PolarHBondContact O-N 3.12Å; F104-L107 VanDerWaalsContact O-N 3.16Å; F104-V108 HydrophobicContact CD1-CG2 4.16Å; F104-V108 HydrophobicContact CE1-CG2 3.73Å; F104-V108 HydrophobicContact CE2-CG2 4.42Å; F104-V108 HydrophobicContact CZ-CG2 3.88Å; F104-V108 WeakPolarHBondContact O-CG2 3.4Å; F104-V108 PolarHBondContact O-N 2.97Å
105S90.7Very high89.6Confident22 Ų2285.6 Ų85.615%0.15445%0.454CS..Hα-helixtrans-61.4-36.7176.952.80000111.9A92 Q97 S101 S102 V108 S109A92-S105 CarbonylContact O-C 3.56Å; A92-S105 WeakPolarHBondContact O-CB 3.38Å; A92-S105 PolarHBondContact O-OG 2.97Å; Q97-S105 PolarHBondContact NE2-OG 3.19Å; Q97-S105 PolarHBondContact OE1-OG 3.39Å; S101-S105 PolarHBondContact O-N 3.38Å; S102-S105 WeakPolarHBondContact CA-OG 3.32Å; S102-S105 PolarHBondContact O-OG 2.74Å; S102-S105 VanDerWaalsContact O-OG 3.1Å; S105-V108 PolarHBondContact O-N 2.74Å; S105-S109 WeakPolarHBondContact O-CB 3.43Å; S105-S109 PolarHBondContact O-N 3.19Å; S105-S109 PolarHBondContact O-OG 3.1Å
106T91.7Very high89.9Confident65 Ų6583 Ų8340%0.39944%0.436SS..Hα-helixtrans-64.2-42.7175.4-61.20000111.8A92 S102 I103 F104 S109 C110A92-T106 HydrophobicContact CB-CG2 4.46Å; A92-T106 PolarHBondContact O-N 3.28Å; A92-T106 VanDerWaalsContact O-N 3.11Å; A92-T106 PolarHBondContact O-OG1 3.04Å; A92-T106 VanDerWaalsContact O-OG1 3.06Å; S102-T106 WeakPolarHBondContact O-CB 3.39Å; S102-T106 PolarHBondContact O-N 3.21Å; S102-T106 PolarHBondContact O-OG1 3.48Å; I103-T106 PolarHBondContact O-N 3.16Å; F104-T106 VanDerWaalsContact C-N 3.26Å; F104-T106 PolarHBondContact O-N 2.8Å; T106-S109 PolarHBondContact O-N 3.42Å; T106-C110 WeakPolarHBondContact O-CB 3.4Å; T106-C110 PolarHBondContact O-N 2.64Å
107L92.9Very high89.8Confident107 Ų10775.5 Ų75.556%0.5641%0.408SS*.Hα-helixtrans-63.5-45.6176.9-71.4173.8000111.4I103 F104 C110 L111I103-L107 HydrophobicContact CG2-CD1 4.34Å; I103-L107 WeakPolarHBondContact O-CG 3.43Å; I103-L107 PolarHBondContact O-N 3.37Å; F104-L107 PolarHBondContact O-N 3.12Å; F104-L107 VanDerWaalsContact O-N 3.16Å; L107-C110 WeakPolarHBondContact O-CB 3.44Å; L107-C110 PolarHBondContact O-N 3.06Å; L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 3.01Å
108V92.6Very high89.5Confident41 Ų4176.1 Ų76.125%0.24842%0.415CS..Hα-helixtrans-58.9-50.4175.6174.30000110.3P90 F104 S105 C110 L111 F112P90-V108 HydrophobicContact CB-CG1 4.48Å; P90-V108 HydrophobicContact CG-CG1 4.4Å; F104-V108 HydrophobicContact CD1-CG2 4.16Å; F104-V108 HydrophobicContact CE1-CG2 3.73Å; F104-V108 HydrophobicContact CE2-CG2 4.42Å; F104-V108 HydrophobicContact CZ-CG2 3.88Å; F104-V108 WeakPolarHBondContact O-CG2 3.4Å; F104-V108 PolarHBondContact O-N 2.97Å; S105-V108 PolarHBondContact O-N 2.74Å; V108-C110 VanDerWaalsContact C-N 3.26Å; V108-C110 PolarHBondContact O-N 3.3Å; V108-L111 PolarHBondContact O-N 3.22Å; V108-L111 VanDerWaalsContact O-N 3.14Å; V108-F112 HydrophobicContact CG1-CD2 3.92Å; V108-F112 HydrophobicContact CG1-CE2 3.91Å; V108-F112 WeakPolarHBondContact O-CD2 3.22Å; V108-F112 PolarHBondContact O-N 3.2Å
109S92.1Very high89Confident6 Ų676.6 Ų76.64%0.04241%0.411CS..Hα-helixtrans-57.7-38.4176.3-65.30000113P90 R91 A92 S105 T106 F112 A113P90-S109 VanDerWaalsContact C-OG 3.24Å; P90-S109 WeakPolarHBondContact O-CB 3.46Å; P90-S109 PolarHBondContact O-OG 2.85Å; R91-S109 PolarHBondContact O-OG 2.81Å; A92-S109 VanDerWaalsContact CA-OG 3.23Å; A92-S109 WeakPolarHBondContact CA-OG 3.47Å; A92-S109 PolarHBondContact N-OG 2.68Å; A92-S109 VanDerWaalsContact N-OG 3.09Å; S105-S109 WeakPolarHBondContact O-CB 3.43Å; S105-S109 PolarHBondContact O-N 3.19Å; S105-S109 PolarHBondContact O-OG 3.1Å; T106-S109 PolarHBondContact O-N 3.42Å; S109-F112 PolarHBondContact O-N 3.11Å; S109-A113 VanDerWaalsContact O-CB 3.23Å; S109-A113 WeakPolarHBondContact O-CB 3.38Å; S109-A113 PolarHBondContact O-N 3.08Å
110C90.5Very high88.6Confident77 Ų7768.1 Ų68.152%0.5238%0.378SS..Hα-helixtrans-63.5-44.7176.7-169.10000111.5T106 L107 V108 F112 A113 F114T106-C110 WeakPolarHBondContact O-CB 3.4Å; T106-C110 PolarHBondContact O-N 2.64Å; L107-C110 WeakPolarHBondContact O-CB 3.44Å; L107-C110 PolarHBondContact O-N 3.06Å; V108-C110 VanDerWaalsContact C-N 3.26Å; V108-C110 PolarHBondContact O-N 3.3Å; C110-F112 VanDerWaalsContact C-N 3.33Å; C110-F112 PolarHBondContact O-N 2.81Å; C110-A113 PolarHBondContact O-N 3.42Å; C110-F114 WeakPolarHBondContact O-CB 3.44Å; C110-F114 PolarHBondContact O-N 3.32Å
111L92.7Very high87.9Confident130 Ų13068.6 Ų68.668%0.68136%0.363SS*.Hα-helixtrans-62.6-38.9177.1-68.1174.6000112.3L107 V108 P115L107-L111 WeakPolarHBondContact O-CG 3.4Å; L107-L111 PolarHBondContact O-N 3.01Å; V108-L111 PolarHBondContact O-N 3.22Å; V108-L111 VanDerWaalsContact O-N 3.14Å; L111-P115 WeakPolarHBondContact O-CD 3.45Å
112F90.5Very high87Confident120 Ų12066.9 Ų66.953%0.52635%0.352SS..Hα-helixtrans-71.6-35.8174.4-85.5-95.2000112.9P90 V108 S109 C110 P115P90-F112 HydrophobicContact CG-CB 4.33Å; P90-F112 HydrophobicContact CG-CD1 4.32Å; P90-F112 HydrophobicContact CG-CD2 3.86Å; P90-F112 HydrophobicContact CG-CE2 4.2Å; P90-F112 HydrophobicContact CG-CG 3.91Å; V108-F112 HydrophobicContact CG1-CD2 3.92Å; V108-F112 HydrophobicContact CG1-CE2 3.91Å; V108-F112 WeakPolarHBondContact O-CD2 3.22Å; V108-F112 PolarHBondContact O-N 3.2Å; S109-F112 PolarHBondContact O-N 3.11Å; C110-F112 VanDerWaalsContact C-N 3.33Å; C110-F112 PolarHBondContact O-N 2.81Å; F112-P115 WeakPolarHBondContact O-CD 3.4Å; F112-P115 WeakPolarHBondContact O-CG 3.47Å
113A90.5Very high85.7Confident24 Ų2467.5 Ų67.520%0.19835%0.354CS..Hα-helixtrans-74.7-30.9178.800000112.7S109 C110 I116 V117S109-A113 VanDerWaalsContact O-CB 3.23Å; S109-A113 WeakPolarHBondContact O-CB 3.38Å; S109-A113 PolarHBondContact O-N 3.08Å; C110-A113 PolarHBondContact O-N 3.42Å; A113-I116 WeakPolarHBondContact O-CB 3.11Å; A113-I116 PolarHBondContact O-N 2.69Å; A113-V117 WeakPolarHBondContact O-CG2 3.24Å; A113-V117 PolarHBondContact O-N 2.98Å
114F88.6Confident84.2Confident140 Ų14064.8 Ų64.861%0.61434%0.34SS*.Hα-helixtrans-52.7-51.3-178.2-174.2-98.7000114.2C110 I116 V117 T118C110-F114 WeakPolarHBondContact O-CB 3.44Å; C110-F114 PolarHBondContact O-N 3.32Å; F114-I116 VanDerWaalsContact C-N 3.31Å; F114-I116 PolarHBondContact O-N 3.33Å; F114-V117 PolarHBondContact O-N 3.1Å; F114-T118 HydrophobicContact CD1-CG2 4.12Å; F114-T118 HydrophobicContact CD2-CG2 4.25Å; F114-T118 HydrophobicContact CE1-CG2 3.77Å; F114-T118 HydrophobicContact CE2-CG2 3.91Å; F114-T118 HydrophobicContact CG-CG2 4.35Å; F114-T118 HydrophobicContact CZ-CG2 3.66Å; F114-T118 WeakPolarHBondContact O-CB 3.49Å; F114-T118 VanDerWaalsContact O-CG2 3.26Å; F114-T118 WeakPolarHBondContact O-CG2 3.41Å; F114-T118 PolarHBondContact O-N 3.29Å; F114-T118 PolarHBondContact O-OG1 3.46Å
115P86.6Confident82.6Confident59 Ų5963.9 Ų63.938%0.38334%0.341SS..Hα-helixtrans-63.7-34.517624.3-33.9000112.8L111 F112 T118 I119L111-P115 WeakPolarHBondContact O-CD 3.45Å; F112-P115 WeakPolarHBondContact O-CD 3.4Å; F112-P115 WeakPolarHBondContact O-CG 3.47Å; P115-T118 VanDerWaalsContact CA-OG1 3.23Å; P115-T118 WeakPolarHBondContact CA-OG1 3.47Å; P115-T118 PolarHBondContact O-OG1 2.74Å; P115-T118 VanDerWaalsContact O-OG1 3.11Å; P115-I119 VanDerWaalsContact O-CB 3.31Å; P115-I119 WeakPolarHBondContact O-CB 3.09Å; P115-I119 WeakPolarHBondContact O-CD1 3.2Å; P115-I119 WeakPolarHBondContact O-CG1 3.38Å; P115-I119 PolarHBondContact O-N 3.32Å
116I87Confident81.1Confident39 Ų3964.1 Ų64.120%0.234%0.341CS..Hα-helixtrans-65.4-49.1178.5-60.4171.5000109.9L59 K87 I89 A113 F114 I119 F120L59-I116 HydrophobicContact CD2-CG2 4.24Å; K87-I116 HydrophobicContact CB-CD1 4.48Å; I89-I116 HydrophobicContact CG2-CD1 3.49Å; I89-I116 VanDerWaalsContact CG2-CD1 3.49Å; A113-I116 WeakPolarHBondContact O-CB 3.11Å; A113-I116 PolarHBondContact O-N 2.69Å; F114-I116 VanDerWaalsContact C-N 3.31Å; F114-I116 PolarHBondContact O-N 3.33Å; I116-I119 PolarHBondContact O-N 3.29Å; I116-F120 VanDerWaalsContact O-CB 3.29Å; I116-F120 WeakPolarHBondContact O-CB 3.34Å; I116-F120 PolarHBondContact O-N 3.18Å
117V84.1Confident79.4Confident50 Ų5072.1 Ų72.130%0.30336%0.364SS..Hα-helixtrans-67.9-40.8180177.10000111.1M32 A113 F114 F120 R121M32-V117 HydrophobicContact CE-CG2 4.16Å; M32-V117 HydrophobicContact SD-CG2 4.39Å; A113-V117 WeakPolarHBondContact O-CG2 3.24Å; A113-V117 PolarHBondContact O-N 2.98Å; F114-V117 PolarHBondContact O-N 3.1Å; V117-F120 PolarHBondContact O-N 3.49Å; V117-R121 HydrophobicContact CG1-CG 4.33Å; V117-R121 WeakPolarHBondContact O-CB 3.35Å; V117-R121 WeakPolarHBondContact O-CG 3.48Å; V117-R121 PolarHBondContact O-N 2.69Å
118T81.3Confident77.5Confident57 Ų5769.3 Ų69.335%0.3535%0.348SS..Hα-helixtrans-67.3-38.4177.951.50000111.7F114 P115 R121 A122F114-T118 HydrophobicContact CD1-CG2 4.12Å; F114-T118 HydrophobicContact CD2-CG2 4.25Å; F114-T118 HydrophobicContact CE1-CG2 3.77Å; F114-T118 HydrophobicContact CE2-CG2 3.91Å; F114-T118 HydrophobicContact CG-CG2 4.35Å; F114-T118 HydrophobicContact CZ-CG2 3.66Å; F114-T118 WeakPolarHBondContact O-CB 3.49Å; F114-T118 VanDerWaalsContact O-CG2 3.26Å; F114-T118 WeakPolarHBondContact O-CG2 3.41Å; F114-T118 PolarHBondContact O-N 3.29Å; F114-T118 PolarHBondContact O-OG1 3.46Å; P115-T118 VanDerWaalsContact CA-OG1 3.23Å; P115-T118 WeakPolarHBondContact CA-OG1 3.47Å; P115-T118 PolarHBondContact O-OG1 2.74Å; P115-T118 VanDerWaalsContact O-OG1 3.11Å; T118-R121 CarbonylContact O-C 3.59Å; T118-R121 PolarHBondContact O-N 3.39Å; T118-A122 WeakPolarHBondContact O-CA 3.25Å; T118-A122 WeakPolarHBondContact O-CB 3.29Å; T118-A122 PolarHBondContact O-N 3.37Å
119I79.3Confident75.7Confident80 Ų8068.1 Ų68.141%0.4134%0.34SS..Hα-helixtrans-67-41.3172.9-68.8166000110.9F17 P115 I116 R121F17-I119 HydrophobicContact CE1-CG1 4.36Å; P115-I119 VanDerWaalsContact O-CB 3.31Å; P115-I119 WeakPolarHBondContact O-CB 3.09Å; P115-I119 WeakPolarHBondContact O-CD1 3.2Å; P115-I119 WeakPolarHBondContact O-CG1 3.38Å; P115-I119 PolarHBondContact O-N 3.32Å; I116-I119 PolarHBondContact O-N 3.29Å; I119-R121 VanDerWaalsContact C-N 3.34Å; I119-R121 PolarHBondContact O-N 3.48Å
120F78.8Confident74.1Confident11 Ų1172.4 Ų72.45%0.04837%0.37CS..Hα-helixtrans-62-41.7176.5-168.8-98.1000111.4R30 M32 L59 I116 V117 T131R30-F120 HydrophobicContact CB-CE2 4.03Å; R30-F120 HydrophobicContact CB-CZ 4.01Å; M32-F120 HydrophobicContact CB-CD1 4.23Å; M32-F120 HydrophobicContact CB-CD2 4.35Å; M32-F120 HydrophobicContact CB-CE1 3.76Å; M32-F120 HydrophobicContact CB-CE2 3.91Å; M32-F120 HydrophobicContact CB-CZ 3.61Å; L59-F120 HydrophobicContact CB-CE2 4.38Å; L59-F120 HydrophobicContact CD2-CD2 3.82Å; L59-F120 HydrophobicContact CD2-CE2 4.28Å; I116-F120 VanDerWaalsContact O-CB 3.29Å; I116-F120 WeakPolarHBondContact O-CB 3.34Å; I116-F120 PolarHBondContact O-N 3.18Å; V117-F120 PolarHBondContact O-N 3.49Å; F120-T131 HydrophobicContact CD1-CG2 3.87Å; F120-T131 HydrophobicContact CE1-CG2 3.34Å; F120-T131 HydrophobicContact CZ-CG2 4.16Å
121R74Confident72.9Confident87 Ų8769.8 Ų69.833%0.32835%0.352SS..Hα-helixtrans-82.8-24177.6-72.1-162.974.4-157.32.3115V117 T118 I119 K123 L124 I125 I133V117-R121 HydrophobicContact CG1-CG 4.33Å; V117-R121 WeakPolarHBondContact O-CB 3.35Å; V117-R121 WeakPolarHBondContact O-CG 3.48Å; V117-R121 PolarHBondContact O-N 2.69Å; T118-R121 CarbonylContact O-C 3.59Å; T118-R121 PolarHBondContact O-N 3.39Å; I119-R121 VanDerWaalsContact C-N 3.34Å; I119-R121 PolarHBondContact O-N 3.48Å; R121-K123 PolarHBondContact O-N 3.06Å; R121-K123 VanDerWaalsContact O-N 3.16Å; R121-L124 WeakPolarHBondContact O-CA 3.46Å; R121-L124 WeakPolarHBondContact O-CB 3.46Å; R121-L124 PolarHBondContact O-N 2.95Å; R121-I125 PolarHBondContact O-N 3.34Å; R121-I133 HydrophobicContact CG-CD1 3.87Å
122A69.2Low71.8Confident15 Ų1566.9 Ų66.912%0.12434%0.336CS..Hα-helixtrans-57.8-33.4178.100000110.3F17 T118 L124 I125 L126F17-A122 HydrophobicContact CD1-CB 4.04Å; F17-A122 HydrophobicContact CE1-CB 4.25Å; F17-A122 HydrophobicContact CG-CB 4.36Å; T118-A122 WeakPolarHBondContact O-CA 3.25Å; T118-A122 WeakPolarHBondContact O-CB 3.29Å; T118-A122 PolarHBondContact O-N 3.37Å; A122-L124 VanDerWaalsContact C-N 3.27Å; A122-L124 PolarHBondContact O-N 3.05Å; A122-I125 PolarHBondContact O-N 3.25Å; A122-L126 WeakPolarHBondContact O-CG 3.5Å; A122-L126 PolarHBondContact O-N 2.95Å
123K64.1Low71.3Confident22 Ų2263 Ų6310%0.09632%0.321CS..Hα-helixtrans-61.4-30.8171.4-61.3-166.4170.9-159.60113.7A21 D24 R30 R121 I128A21-K123 HydrophobicContact CB-CG 4.19Å; D24-K123 IonicContact OD2-NZ 3.77Å; D24-K123 PolarHBondContact OD2-NZ 2.72Å; R30-K123 VanDerWaalsContact NH2-NZ 3.1Å; R121-K123 PolarHBondContact O-N 3.06Å; R121-K123 VanDerWaalsContact O-N 3.16Å; K123-I128 PolarHBondContact O-N 2.96Å
124L59.7Low71.1Confident55 Ų5565.2 Ų65.229%0.28833%0.329SS..Hα-helixtrans-75.8-43.9173.6179.969.5000112.4R121 A122 L126 R127 H129R121-L124 WeakPolarHBondContact O-CA 3.46Å; R121-L124 WeakPolarHBondContact O-CB 3.46Å; R121-L124 PolarHBondContact O-N 2.95Å; A122-L124 VanDerWaalsContact C-N 3.27Å; A122-L124 PolarHBondContact O-N 3.05Å; L124-L126 PolarHBondContact O-N 3.42Å; L124-R127 VanDerWaalsContact O-CA 3.28Å; L124-R127 WeakPolarHBondContact O-CA 3.5Å; L124-R127 PolarHBondContact O-N 3.21Å; L124-H129 WeakPolarHBondContact CD1-O 3.41Å
125I57.7Low71.1Confident134 Ų13460.7 Ų60.769%0.68731%0.309SS*.Hα-helixtrans-61.6-36.1-179.1-66.1173.8000110.5R121 A122 R127R121-I125 PolarHBondContact O-N 3.34Å; A122-I125 PolarHBondContact O-N 3.25Å; I125-R127 PolarHBondContact O-N 3.21Å
126L59.3Low71.3Confident28 Ų2859 Ų5915%0.14730%0.298CS..THydrogen-bonded Turntrans-72.30.1172.6-61.7179.3000113.5Y14 F17 A122 L124 I128Y14-L126 HydrophobicContact CD2-CD2 3.36Å; Y14-L126 HydrophobicContact CE2-CD2 3.08Å; Y14-L126 HydrophobicContact CG-CD2 4.3Å; F17-L126 HydrophobicContact CB-CD1 3.68Å; A122-L126 WeakPolarHBondContact O-CG 3.5Å; A122-L126 PolarHBondContact O-N 2.95Å; L124-L126 PolarHBondContact O-N 3.42Å; L126-I128 HydrophobicContact CB-CD1 3.46Å; L126-I128 VanDerWaalsContact CB-CD1 3.46Å; L126-I128 HydrophobicContact CB-CG1 3.62Å; L126-I128 HydrophobicContact CD1-CD1 3.89Å; L126-I128 HydrophobicContact CG-CD1 4.33Å; L126-I128 WeakPolarHBondContact O-CG1 3.35Å; L126-I128 PolarHBondContact O-N 3.41Å
127R55.4Low71.6Confident233 Ų23357.5 Ų57.588%0.87929%0.29SS*.THydrogen-bonded Turntrans54.732.7-179-159.8173.4169.5166.2-3.7113L124 I125L124-R127 VanDerWaalsContact O-CA 3.28Å; L124-R127 WeakPolarHBondContact O-CA 3.5Å; L124-R127 PolarHBondContact O-N 3.21Å; I125-R127 PolarHBondContact O-N 3.21Å
128I53.3Low71.9Confident47 Ų4755.5 Ų55.524%0.24128%0.278CS..  trans-87.2-31.5-174.9-57.3176.7000110.6Y18 A21 K123 L126Y18-I128 HydrophobicContact CD2-CD1 3.99Å; Y18-I128 HydrophobicContact CE2-CD1 4.44Å; A21-I128 HydrophobicContact CB-CB 4.33Å; A21-I128 HydrophobicContact CB-CD1 3.24Å; A21-I128 HydrophobicContact CB-CG1 4.32Å; A21-I128 HydrophobicContact CB-CG2 4.13Å; K123-I128 PolarHBondContact O-N 2.96Å; L126-I128 HydrophobicContact CB-CD1 3.46Å; L126-I128 VanDerWaalsContact CB-CD1 3.46Å; L126-I128 HydrophobicContact CB-CG1 3.62Å; L126-I128 HydrophobicContact CD1-CD1 3.89Å; L126-I128 HydrophobicContact CG-CD1 4.33Å; L126-I128 WeakPolarHBondContact O-CG1 3.35Å; L126-I128 PolarHBondContact O-N 3.41Å
129H54.8Low72.3Confident17 Ų1754.5 Ų54.58%0.07927%0.27CS..SBendtrans-142150.4175.9-65.1-85.7000112.9D24 D25 L124 T131D24-H129 WeakPolarHBondContact CB-NE2 3.11Å; D25-H129 PolarHBondContact O-CE1 3Å; L124-H129 WeakPolarHBondContact CD1-O 3.41Å; H129-T131 PolarHBondContact O-N 3.42Å; H129-T131 VanDerWaalsContact O-N 3.1Å
130S59.3Low72.8Confident96 Ų9654.5 Ų54.567%0.67128%0.276SS*.  trans-64.7104.7161.4-58.60000108.5T29T29-S130 WeakPolarHBondContact CG2-O 3.38Å
131T65.5Low73.4Confident22 Ų2259.3 Ų59.314%0.13529%0.294CS..  trans-97.3116.3172.7-53.50000108F120 H129 I133F120-T131 HydrophobicContact CD1-CG2 3.87Å; F120-T131 HydrophobicContact CE1-CG2 3.34Å; F120-T131 HydrophobicContact CZ-CG2 4.16Å; H129-T131 PolarHBondContact O-N 3.42Å; H129-T131 VanDerWaalsContact O-N 3.1Å; T131-I133 HydrophobicContact CG2-CD1 4.47Å; T131-I133 HydrophobicContact CG2-CG1 4.04Å
132L69.8Low74.3Confident68 Ų6857.7 Ų57.736%0.35629%0.294SS..  trans-98.7112.9177-176.759.7000108.5T29 I134T29-L132 HydrophobicContact CG2-CB 4.34Å; L132-I134 HydrophobicContact CD1-CD1 3.77Å; L132-I134 HydrophobicContact CD1-CG1 3.79Å; L132-I134 HydrophobicContact CD2-CD1 3.5Å; L132-I134 VanDerWaalsContact CD2-CD1 3.5Å; L132-I134 HydrophobicContact CD2-CG1 4.32Å; L132-I134 HydrophobicContact CG-CD1 3.53Å; L132-I134 HydrophobicContact CG-CG1 3.78Å
133I78.8Confident75.4Confident38 Ų3864.7 Ų64.720%0.19532%0.322CS..  trans-110.1105.8173.8-49.1178.4000107.2R121 T131 V158 D159R121-I133 HydrophobicContact CG-CD1 3.87Å; T131-I133 HydrophobicContact CG2-CD1 4.47Å; T131-I133 HydrophobicContact CG2-CG1 4.04Å; I133-V158 HydrophobicContact CB-CG1 3.97Å; I133-V158 HydrophobicContact CG2-CB 4.24Å; I133-V158 HydrophobicContact CG2-CG1 3.39Å; I133-V158 WeakPolarHBondContact O-CB 3.37Å; I133-D159 PolarHBondContact O-N 3.2Å
134I85.6Confident76.9Confident72 Ų7266.5 Ų66.537%0.36934%0.335SS..EExtended strand (participates in β ladder)trans-111.1136.9179.7-73.6168.9000108.7L132 V136 D159 I161L132-I134 HydrophobicContact CD1-CD1 3.77Å; L132-I134 HydrophobicContact CD1-CG1 3.79Å; L132-I134 HydrophobicContact CD2-CD1 3.5Å; L132-I134 VanDerWaalsContact CD2-CD1 3.5Å; L132-I134 HydrophobicContact CD2-CG1 4.32Å; L132-I134 HydrophobicContact CG-CD1 3.53Å; L132-I134 HydrophobicContact CG-CG1 3.78Å; I134-V136 HydrophobicContact CG2-CG2 3.8Å; I134-D159 WeakPolarHBondContact CA-O 3.2Å; I134-D159 HydrophobicContact CG1-CB 4.45Å; I134-I161 HydrophobicContact CD1-CD1 4.14Å; I134-I161 HydrophobicContact CG1-CD1 4.48Å; I134-I161 HydrophobicContact CG2-CB 4.45Å; I134-I161 HydrophobicContact CG2-CD1 3.34Å; I134-I161 HydrophobicContact CG2-CG1 3.75Å
135F89.5Confident78.5Confident44 Ų4464.1 Ų64.119%0.19332%0.322CS..EExtended strand (participates in β ladder)trans-107.5115.9165.9177.4-97.4000109.1E137 L152 V158 D159 V160 I161F135-E137 HydrophobicContact CE1-CB 4.26Å; F135-L152 HydrophobicContact CB-CD1 3.8Å; F135-L152 HydrophobicContact CD1-CD1 4.25Å; F135-L152 HydrophobicContact CD2-CD1 3.35Å; F135-L152 HydrophobicContact CE2-CD1 3.96Å; F135-L152 HydrophobicContact CG-CD1 3.51Å; F135-V158 HydrophobicContact CB-CG2 3.88Å; F135-D159 PolarHBondContact N-O 3.29Å; F135-V160 HydrophobicContact CD1-CG1 4.17Å; F135-V160 HydrophobicContact CD1-CG2 4.36Å; F135-V160 CarbonylContact O-C 3.59Å; F135-V160 WeakPolarHBondContact O-CA 3.4Å; F135-I161 PolarHBondContact O-N 2.62Å
136V91.2Very high80.2Confident25 Ų2558.8 Ų58.815%0.15230%0.297CS..EExtended strand (participates in β ladder)trans-94.7120.2174.1-172.10000108.7Y47 I134 I161 L180Y47-V136 HydrophobicContact CD2-CB 4.43Å; Y47-V136 HydrophobicContact CD2-CG1 4.16Å; Y47-V136 HydrophobicContact CD2-CG2 4.39Å; Y47-V136 HydrophobicContact CE2-CB 4.16Å; Y47-V136 HydrophobicContact CE2-CG1 3.53Å; I134-V136 HydrophobicContact CG2-CG2 3.8Å; V136-I161 HydrophobicContact CG1-CG2 4.41Å; V136-I161 HydrophobicContact CG2-CB 4.33Å; V136-I161 HydrophobicContact CG2-CD1 4.39Å; V136-L180 HydrophobicContact CG1-CD1 3.98Å
137E92.6Very high81.7Confident7 Ų763.7 Ų63.73%0.03332%0.322CS..PPolyproline II helixtrans-73.3143.9173.9-173.260.1-98.300110.7F135 R141 L145 S146 I161 Q163 L167F135-E137 HydrophobicContact CE1-CB 4.26Å; E137-R141 HydrophobicContact CG-CB 3.81Å; E137-R141 HydrophobicContact CG-CG 4.13Å; E137-R141 WeakPolarHBondContact OE1-CG 3.32Å; E137-L145 HydrophobicContact CB-CD2 4.18Å; E137-L145 HydrophobicContact CG-CD2 3.9Å; E137-S146 WeakPolarHBondContact OE1-CB 3.32Å; E137-S146 PolarHBondContact OE1-OG 3.45Å; E137-S146 VanDerWaalsContact OE2-CB 3.3Å; E137-S146 WeakPolarHBondContact OE2-CB 3.41Å; E137-S146 PolarHBondContact OE2-N 3.22Å; E137-S146 PolarHBondContact OE2-OG 2.98Å; E137-I161 PolarHBondContact N-O 2.7Å; E137-Q163 PolarHBondContact O-NE2 2.85Å; E137-L167 HydrophobicContact CG-CD1 4.43Å
138S90.9Very high83.3Confident8 Ų855.9 Ų55.96%0.05630%0.304CS..PPolyproline II helixtrans-66.3146.9-176.8-179.90000112H40 E43 C140 R141H40-S138 PolarHBondContact CE1-OG 2.8Å; H40-S138 VanDerWaalsContact CE1-OG 3.25Å; H40-S138 PolarHBondContact ND1-OG 3.02Å; E43-S138 PolarHBondContact OE1-OG 2.86Å; E43-S138 WeakPolarHBondContact OE2-CA 3.31Å; E43-S138 WeakPolarHBondContact OE2-CB 3.17Å; E43-S138 PolarHBondContact OE2-OG 3.34Å; S138-C140 PolarHBondContact O-N 3.27Å; S138-C140 VanDerWaalsContact O-N 3.15Å; S138-C140 PolarHBondContact OG-SG 2.97Å; S138-R141 WeakPolarHBondContact O-CB 3.08Å; S138-R141 PolarHBondContact O-N 2.9Å
139I90.5Very high85.1Confident35 Ų3553.7 Ų53.718%0.17929%0.292CS..THydrogen-bonded Turntrans-56.9-34.1-178-55.8162.6000111.2E43 R141 Q163 W164 L179 S181E43-I139 HydrophobicContact CG-CD1 3.8Å; E43-I139 HydrophobicContact CG-CG1 4.43Å; I139-R141 PolarHBondContact O-N 3.14Å; I139-R141 VanDerWaalsContact O-N 3.15Å; I139-Q163 VanDerWaalsContact CG1-NE2 3.29Å; I139-W164 PolarHBondContact O-NE1 3.18Å; I139-L179 HydrophobicContact CG2-CD2 4.15Å; I139-S181 WeakPolarHBondContact CD1-OG 3.07Å
140C89.5Confident87Confident81 Ų8156.6 Ų56.655%0.54731%0.305SS..THydrogen-bonded Turntrans-68.7-10.8-179.563.40000114.5S138 T142S138-C140 PolarHBondContact O-N 3.27Å; S138-C140 VanDerWaalsContact O-N 3.15Å; S138-C140 PolarHBondContact OG-SG 2.97Å; C140-T142 PolarHBondContact O-N 3.45Å
141R91.8Very high88.6Confident111 Ų11156.4 Ų56.442%0.41930%0.295SS..  trans-94.289.9-178-59.4-58-177.8-178.1-3.6110.8E137 S138 I139 L167E137-R141 HydrophobicContact CG-CB 3.81Å; E137-R141 HydrophobicContact CG-CG 4.13Å; E137-R141 WeakPolarHBondContact OE1-CG 3.32Å; S138-R141 WeakPolarHBondContact O-CB 3.08Å; S138-R141 PolarHBondContact O-N 2.9Å; I139-R141 PolarHBondContact O-N 3.14Å; I139-R141 VanDerWaalsContact O-N 3.15Å; R141-L167 WeakPolarHBondContact O-CD1 3.18Å
142T92.1Very high89.8Confident53 Ų5357.3 Ų57.333%0.32530%0.299SS..SBendtrans-86.9-41.3-178.851.60000113.8C140 W164C140-T142 PolarHBondContact O-N 3.45Å; T142-W164 HydrophobicContact CG2-CD2 3.71Å; T142-W164 HydrophobicContact CG2-CE3 4.24Å; T142-W164 HydrophobicContact CG2-CG 4.13Å; T142-W164 HydrophobicContact CG2-CH2 4.21Å; T142-W164 HydrophobicContact CG2-CZ2 3.66Å; T142-W164 HydrophobicContact CG2-CZ3 4.46Å
143K92.7Very high91Very high163 Ų16355.4 Ų55.471%0.70929%0.287SS*.SBendtrans-102.9-29.4-168.8-62.2-178.6-178.5-178.40114.7
144T94.7Very high91.8Very high60 Ų6061.3 Ų61.337%0.36831%0.308SS..SBendtrans-146.3141.1-175.559.60000111.5
145L94.4Very high92Very high4 Ų461.2 Ų61.22%0.02131%0.311CS..  trans-59.9148.3169.7-67.8177.6000111.5E137 K150 Y153 V160 V162 L167 Y171E137-L145 HydrophobicContact CB-CD2 4.18Å; E137-L145 HydrophobicContact CG-CD2 3.9Å; L145-K150 HydrophobicContact CB-CG 3.85Å; L145-K150 WeakPolarHBondContact O-CE 3.32Å; L145-Y153 HydrophobicContact CD1-CD2 4.45Å; L145-Y153 HydrophobicContact CD1-CG 4.29Å; L145-V160 HydrophobicContact CD2-CG1 4.27Å; L145-V162 HydrophobicContact CD2-CG1 3.85Å; L145-L167 HydrophobicContact CD2-CD1 4.15Å; L145-L167 HydrophobicContact CD2-CD2 4.42Å; L145-L167 HydrophobicContact CG-CD2 4.43Å; L145-Y171 HydrophobicContact CB-CE2 4.23Å; L145-Y171 HydrophobicContact CD1-CD1 3.72Å; L145-Y171 HydrophobicContact CD1-CD2 3.75Å; L145-Y171 HydrophobicContact CD1-CE1 3.83Å; L145-Y171 HydrophobicContact CD1-CE2 3.86Å; L145-Y171 HydrophobicContact CD1-CG 3.68Å; L145-Y171 HydrophobicContact CG-CD2 3.73Å; L145-Y171 HydrophobicContact CG-CE1 4.42Å; L145-Y171 HydrophobicContact CG-CE2 3.6Å; L145-Y171 HydrophobicContact CG-CG 4.2Å
146S92.5Very high91.9Very high22 Ų2268.5 Ų68.515%0.15434%0.337CS..  trans-57.3161.9166.663.80000110.9E137 S148 G149 K150E137-S146 WeakPolarHBondContact OE1-CB 3.32Å; E137-S146 PolarHBondContact OE1-OG 3.45Å; E137-S146 VanDerWaalsContact OE2-CB 3.3Å; E137-S146 WeakPolarHBondContact OE2-CB 3.41Å; E137-S146 PolarHBondContact OE2-N 3.22Å; E137-S146 PolarHBondContact OE2-OG 2.98Å; S146-S148 PolarHBondContact O-N 3.2Å; S146-G149 PolarHBondContact O-N 3.38Å; S146-G149 VanDerWaalsContact O-N 3.14Å; S146-G149 PolarHBondContact OG-N 3.3Å; S146-K150 WeakPolarHBondContact O-CG 3.36Å; S146-K150 PolarHBondContact O-N 2.64Å
147L90.3Very high91.4Very high132 Ų13272 Ų7269%0.69136%0.355SS*.Hα-helixtrans-55.8-44.4175.4179.661000111.1K150 I151L147-K150 PolarHBondContact O-N 2.89Å; L147-I151 HydrophobicContact CD1-CD1 4.23Å; L147-I151 HydrophobicContact CD1-CG1 4.49Å; L147-I151 HydrophobicContact CG-CD1 4.03Å; L147-I151 WeakPolarHBondContact O-CG1 3.45Å; L147-I151 PolarHBondContact O-N 2.89Å
148S89.2Confident91Very high69 Ų6972.4 Ų72.448%0.48336%0.358SS..Hα-helixtrans-59.9-47.6174.5-53.10000111.7S146 K150 I151 L152S146-S148 PolarHBondContact O-N 3.2Å; S148-K150 VanDerWaalsContact C-N 3.32Å; S148-K150 PolarHBondContact O-N 2.81Å; S148-I151 PolarHBondContact O-N 3.22Å; S148-L152 VanDerWaalsContact O-CB 3.32Å; S148-L152 WeakPolarHBondContact O-CB 3.29Å; S148-L152 VanDerWaalsContact O-CG 3.29Å; S148-L152 WeakPolarHBondContact O-CG 3.3Å; S148-L152 PolarHBondContact O-N 3.34Å
149G92.2Very high90.8Very high0 Ų075.4 Ų75.40%037%0.373CS..Hα-helixtrans-58.6-41176.600000112.7S146 Y153S146-G149 PolarHBondContact O-N 3.38Å; S146-G149 VanDerWaalsContact O-N 3.14Å; S146-G149 PolarHBondContact OG-N 3.3Å; G149-Y153 WeakPolarHBondContact O-CB 3.42Å; G149-Y153 PolarHBondContact O-N 3.29Å
150K94.6Very high91Very high78 Ų7873.8 Ų73.834%0.33937%0.365SS..Hα-helixtrans-64-48.4174.4-70.1178.8-175.6176.30111.9L145 S146 L147 S148 L152 Y153 Y154L145-K150 HydrophobicContact CB-CG 3.85Å; L145-K150 WeakPolarHBondContact O-CE 3.32Å; S146-K150 WeakPolarHBondContact O-CG 3.36Å; S146-K150 PolarHBondContact O-N 2.64Å; L147-K150 PolarHBondContact O-N 2.89Å; S148-K150 VanDerWaalsContact C-N 3.32Å; S148-K150 PolarHBondContact O-N 2.81Å; K150-L152 VanDerWaalsContact C-N 3.34Å; K150-L152 PolarHBondContact O-N 3.26Å; K150-Y153 PolarHBondContact O-N 3.41Å; K150-Y154 HydrophobicContact CB-CD2 4.4Å; K150-Y154 HydrophobicContact CB-CE2 4.37Å; K150-Y154 WeakPolarHBondContact O-CD2 3.43Å; K150-Y154 PolarHBondContact O-N 3.45Å
151I92.4Very high91.2Very high92 Ų9270.6 Ų70.647%0.47234%0.342SS..Hα-helixtrans-58.5-49.4179.2-68.3165.3000109.9L147 S148 Y153 Y154 T155L147-I151 HydrophobicContact CD1-CD1 4.23Å; L147-I151 HydrophobicContact CD1-CG1 4.49Å; L147-I151 HydrophobicContact CG-CD1 4.03Å; L147-I151 WeakPolarHBondContact O-CG1 3.45Å; L147-I151 PolarHBondContact O-N 2.89Å; S148-I151 PolarHBondContact O-N 3.22Å; I151-Y153 VanDerWaalsContact C-N 3.3Å; I151-Y153 PolarHBondContact O-N 2.87Å; I151-Y154 PolarHBondContact O-N 3.33Å; I151-T155 HydrophobicContact CG2-CG2 4.12Å; I151-T155 WeakPolarHBondContact O-CB 3.45Å; I151-T155 WeakPolarHBondContact O-CG2 3.46Å; I151-T155 PolarHBondContact O-N 3.25Å; I151-T155 PolarHBondContact O-OG1 3.27Å
152L91.3Very high91.3Very high41 Ų4165.3 Ų65.322%0.21532%0.322CS..Hα-helixtrans-65.4-34178.9-71.3175.6000112.4F135 S148 K150 T155 R156 V158 V160 R173F135-L152 HydrophobicContact CB-CD1 3.8Å; F135-L152 HydrophobicContact CD1-CD1 4.25Å; F135-L152 HydrophobicContact CD2-CD1 3.35Å; F135-L152 HydrophobicContact CE2-CD1 3.96Å; F135-L152 HydrophobicContact CG-CD1 3.51Å; S148-L152 VanDerWaalsContact O-CB 3.32Å; S148-L152 WeakPolarHBondContact O-CB 3.29Å; S148-L152 VanDerWaalsContact O-CG 3.29Å; S148-L152 WeakPolarHBondContact O-CG 3.3Å; S148-L152 PolarHBondContact O-N 3.34Å; K150-L152 VanDerWaalsContact C-N 3.34Å; K150-L152 PolarHBondContact O-N 3.26Å; L152-T155 WeakPolarHBondContact CA-OG1 3.35Å; L152-T155 PolarHBondContact O-OG1 2.85Å; L152-R156 PolarHBondContact O-N 2.95Å; L152-V158 HydrophobicContact CB-CG2 3.59Å; L152-V158 HydrophobicContact CD1-CG2 4.14Å; L152-V158 HydrophobicContact CD2-CG1 4.17Å; L152-V158 HydrophobicContact CD2-CG2 3.9Å; L152-V158 HydrophobicContact CG-CG2 4.07Å; L152-V160 HydrophobicContact CB-CG2 4.39Å; L152-R173 PolarHBondContact O-NH2 2.73Å
153Y94.1Very high91.4Very high28 Ų2862.9 Ų62.911%0.1131%0.307CS..Hα-helixtrans-67.7-41.9174.1-175.3-92.5000112.7L145 G149 K150 I151 Y171 R173L145-Y153 HydrophobicContact CD1-CD2 4.45Å; L145-Y153 HydrophobicContact CD1-CG 4.29Å; G149-Y153 WeakPolarHBondContact O-CB 3.42Å; G149-Y153 PolarHBondContact O-N 3.29Å; K150-Y153 PolarHBondContact O-N 3.41Å; I151-Y153 VanDerWaalsContact C-N 3.3Å; I151-Y153 PolarHBondContact O-N 2.87Å; Y153-Y171 AromaticContact CD1-CD1 3.87Å; Y153-Y171 HydrophobicContact CD1-CD1 3.87Å; Y153-Y171 HydrophobicContact CD1-CE1 4.47Å; Y153-Y171 HydrophobicContact CD2-CD1 4.37Å; Y153-Y171 AromaticContact CE1-CD1 3.76Å; Y153-Y171 HydrophobicContact CE1-CD1 3.76Å; Y153-Y171 HydrophobicContact CE2-CD1 4.25Å; Y153-Y171 HydrophobicContact CE2-CG 4.42Å; Y153-Y171 HydrophobicContact CG-CD1 4.18Å; Y153-Y171 AromaticContact CZ-CD1 3.95Å; Y153-R173 VanDerWaalsContact C-NH2 3.26Å; Y153-R173 HydrophobicContact CE2-CB 3.63Å; Y153-R173 PolarHBondContact O-NH2 2.96Å; Y153-R173 PolarHBondContact OH-N 3.44Å
154Y94.9Very high91.6Very high162 Ų16258.7 Ų58.764%0.63529%0.287SS*.Hα-helixtrans-83.8-31.8-177.8-70.3-65.3000113.2K150 I151 R156K150-Y154 HydrophobicContact CB-CD2 4.4Å; K150-Y154 HydrophobicContact CB-CE2 4.37Å; K150-Y154 WeakPolarHBondContact O-CD2 3.43Å; K150-Y154 PolarHBondContact O-N 3.45Å; I151-Y154 PolarHBondContact O-N 3.33Å; Y154-R156 PolarHBondContact O-N 2.71Å
155T90.7Very high91.6Very high70 Ų7058.5 Ų58.543%0.42929%0.287SS..Hα-helixtrans-73-14.7176.956.20000113.6I151 L152 L157I151-T155 HydrophobicContact CG2-CG2 4.12Å; I151-T155 WeakPolarHBondContact O-CB 3.45Å; I151-T155 WeakPolarHBondContact O-CG2 3.46Å; I151-T155 PolarHBondContact O-N 3.25Å; I151-T155 PolarHBondContact O-OG1 3.27Å; L152-T155 WeakPolarHBondContact CA-OG1 3.35Å; L152-T155 PolarHBondContact O-OG1 2.85Å; T155-L157 HydrophobicContact CG2-CD1 4.48Å; T155-L157 PolarHBondContact O-N 2.79Å; T155-L157 VanDerWaalsContact O-N 3.1Å
156R87.1Confident91.6Very high197 Ų19763.5 Ų63.574%0.74331%0.31SS*.THydrogen-bonded Turntrans54.924.7-178-56.6-176.4179.5175.3-0.3113.9L152 Y154 V158L152-R156 PolarHBondContact O-N 2.95Å; Y154-R156 PolarHBondContact O-N 2.71Å; R156-V158 VanDerWaalsContact C-N 3.32Å
157L80.1Confident91.7Very high99 Ų9962.5 Ų62.552%0.51830%0.303SS..SBendtrans-77.2-22.1-179.6-69.5173.2000112.9T155T155-L157 HydrophobicContact CG2-CD1 4.48Å; T155-L157 PolarHBondContact O-N 2.79Å; T155-L157 VanDerWaalsContact O-N 3.1Å
158V83.9Confident92Very high16 Ų1660 Ų6010%0.09729%0.286CS..SBendtrans-144.6161.5-173.3-52.90000111.1I133 F135 L152 R156 V160 R173I133-V158 HydrophobicContact CB-CG1 3.97Å; I133-V158 HydrophobicContact CG2-CB 4.24Å; I133-V158 HydrophobicContact CG2-CG1 3.39Å; I133-V158 WeakPolarHBondContact O-CB 3.37Å; F135-V158 HydrophobicContact CB-CG2 3.88Å; L152-V158 HydrophobicContact CB-CG2 3.59Å; L152-V158 HydrophobicContact CD1-CG2 4.14Å; L152-V158 HydrophobicContact CD2-CG1 4.17Å; L152-V158 HydrophobicContact CD2-CG2 3.9Å; L152-V158 HydrophobicContact CG-CG2 4.07Å; R156-V158 VanDerWaalsContact C-N 3.32Å; V158-V160 HydrophobicContact CG2-CG2 4.21Å; V158-R173 PolarHBondContact O-NH1 2.83Å
159D88.7Confident92.3Very high71 Ų7162.5 Ų62.538%0.3830%0.299SS..EExtended strand (participates in β ladder)trans-84.2125.9167.5-64.7-48.5000109.5I133 I134 F135 I175I133-D159 PolarHBondContact O-N 3.2Å; I134-D159 WeakPolarHBondContact CA-O 3.2Å; I134-D159 HydrophobicContact CG1-CB 4.45Å; F135-D159 PolarHBondContact N-O 3.29Å; D159-I175 HydrophobicContact CB-CD1 4.21Å
160V93.1Very high92.5Very high1 Ų168.3 Ų68.31%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-99.5117.2-177.7173.80000108.4F135 L145 L152 V158 V162 S174 I175F135-V160 HydrophobicContact CD1-CG1 4.17Å; F135-V160 HydrophobicContact CD1-CG2 4.36Å; F135-V160 CarbonylContact O-C 3.59Å; F135-V160 WeakPolarHBondContact O-CA 3.4Å; L145-V160 HydrophobicContact CD2-CG1 4.27Å; L152-V160 HydrophobicContact CB-CG2 4.39Å; V158-V160 HydrophobicContact CG2-CG2 4.21Å; V160-V162 HydrophobicContact CG1-CG1 4.25Å; V160-S174 CarbonylContact O-C 3.21Å; V160-S174 WeakPolarHBondContact O-CA 3.44Å; V160-S174 WeakPolarHBondContact O-CB 3.36Å; V160-I175 PolarHBondContact O-N 3.11Å
161I93.6Very high92.5Very high13 Ų1365.1 Ų65.17%0.06731%0.31CS..EExtended strand (participates in β ladder)trans-94.3133.3174.1-63.7179.2000109.3I134 F135 V136 E137 I175 L177 L180I134-I161 HydrophobicContact CD1-CD1 4.14Å; I134-I161 HydrophobicContact CG1-CD1 4.48Å; I134-I161 HydrophobicContact CG2-CB 4.45Å; I134-I161 HydrophobicContact CG2-CD1 3.34Å; I134-I161 HydrophobicContact CG2-CG1 3.75Å; F135-I161 PolarHBondContact O-N 2.62Å; V136-I161 HydrophobicContact CG1-CG2 4.41Å; V136-I161 HydrophobicContact CG2-CB 4.33Å; V136-I161 HydrophobicContact CG2-CD1 4.39Å; E137-I161 PolarHBondContact N-O 2.7Å; I161-I175 CarbonylContact C-O 3.47Å; I161-I175 VanDerWaalsContact CA-O 3.29Å; I161-I175 WeakPolarHBondContact CA-O 3.23Å; I161-I175 HydrophobicContact CG1-CB 4.23Å; I161-L177 HydrophobicContact CD1-CD1 3.82Å; I161-L177 HydrophobicContact CG1-CD1 4.49Å; I161-L177 HydrophobicContact CG2-CB 4.39Å; I161-L177 HydrophobicContact CG2-CD1 3.94Å; I161-L177 HydrophobicContact CG2-CG 4.08Å; I161-L180 HydrophobicContact CG2-CD1 4.07Å
162V95.1Very high92.7Very high0 Ų065 Ų650%032%0.315CS..EExtended strand (participates in β ladder)trans-122149177.1-62.70000110.3L145 V160 L167 K168 S174 I175 Y176 L177L145-V162 HydrophobicContact CD2-CG1 3.85Å; V160-V162 HydrophobicContact CG1-CG1 4.25Å; V162-L167 HydrophobicContact CB-CB 3.93Å; V162-L167 HydrophobicContact CB-CD1 4.05Å; V162-L167 HydrophobicContact CG1-CB 3.95Å; V162-L167 HydrophobicContact CG1-CD1 3.95Å; V162-L167 HydrophobicContact CG2-CB 4.2Å; V162-K168 HydrophobicContact CG2-CB 4.19Å; V162-S174 WeakPolarHBondContact CG2-OG 3.36Å; V162-I175 PolarHBondContact N-O 2.87Å; V162-Y176 WeakPolarHBondContact O-CA 3.45Å; V162-L177 PolarHBondContact O-N 3.21Å
163Q94.5Very high92.8Very high3 Ų366.8 Ų66.81%0.01432%0.319CS..SBendtrans-105.3-5.5-176.1-59.4-172.965.400113.2Y47 E137 I139 Y176 G178 L180Y47-Q163 PolarHBondContact OH-NE2 2.73Å; Y47-Q163 PolarHBondContact OH-OE1 2.62Å; E137-Q163 PolarHBondContact O-NE2 2.85Å; I139-Q163 VanDerWaalsContact CG1-NE2 3.29Å; Q163-Y176 WeakPolarHBondContact O-CE2 3.29Å; Q163-G178 WeakPolarHBondContact CA-O 3.35Å; Q163-G178 WeakPolarHBondContact CB-O 3.4Å; Q163-G178 WeakPolarHBondContact CG-O 3.18Å; Q163-L180 HydrophobicContact CG-CD1 4.35Å; Q163-L180 HydrophobicContact CG-CG 4.37Å; Q163-L180 VanDerWaalsContact OE1-N 3.11Å
164W94.9Very high92.8Very high75 Ų7565.5 Ų65.528%0.28431%0.314SS..SBendtrans-119.8134.2-178-66.398.5000111I139 T142 E166 L167 K168 L179I139-W164 PolarHBondContact O-NE1 3.18Å; T142-W164 HydrophobicContact CG2-CD2 3.71Å; T142-W164 HydrophobicContact CG2-CE3 4.24Å; T142-W164 HydrophobicContact CG2-CG 4.13Å; T142-W164 HydrophobicContact CG2-CH2 4.21Å; T142-W164 HydrophobicContact CG2-CZ2 3.66Å; T142-W164 HydrophobicContact CG2-CZ3 4.46Å; W164-E166 VanDerWaalsContact C-N 3.27Å; W164-E166 PolarHBondContact O-N 3.3Å; W164-L167 HydrophobicContact CB-CG 4.41Å; W164-L167 PolarHBondContact O-N 3.42Å; W164-K168 PolarHBondContact O-N 3.15Å; W164-L179 HydrophobicContact CZ2-CD2 4.43Å
165P95.2Very high92.8Very high56 Ų5661.2 Ų61.236%0.36430%0.302SS..Hα-helixtrans-64.1-31.5179.925.8-33.5000112.4L167 K168 T169 Y176P165-L167 VanDerWaalsContact C-N 3.28Å; P165-L167 PolarHBondContact O-N 3.15Å; P165-K168 WeakPolarHBondContact O-CB 3.12Å; P165-K168 PolarHBondContact O-N 3.01Å; P165-T169 PolarHBondContact O-N 3.37Å; P165-T169 PolarHBondContact O-OG1 3.28Å; P165-Y176 HydrophobicContact CB-CE2 4.44Å
166E95.3Very high93Very high109 Ų10963 Ų6351%0.50930%0.301SS..Hα-helixtrans-61.5-37.9177.5-60.780.5-178.500111.7W164 K170W164-E166 VanDerWaalsContact C-N 3.27Å; W164-E166 PolarHBondContact O-N 3.3Å; E166-K170 WeakPolarHBondContact O-CB 3.44Å; E166-K170 PolarHBondContact O-N 2.75Å; E166-K170 VanDerWaalsContact O-N 3.11Å
167L95.3Very high93.1Very high1 Ų158.2 Ų58.21%0.00529%0.29CS..Hα-helixtrans-66.9-39.3173.6-74.7-178000111.7E137 R141 L145 V162 W164 P165 K170 Y171E137-L167 HydrophobicContact CG-CD1 4.43Å; R141-L167 WeakPolarHBondContact O-CD1 3.18Å; L145-L167 HydrophobicContact CD2-CD1 4.15Å; L145-L167 HydrophobicContact CD2-CD2 4.42Å; L145-L167 HydrophobicContact CG-CD2 4.43Å; V162-L167 HydrophobicContact CB-CB 3.93Å; V162-L167 HydrophobicContact CB-CD1 4.05Å; V162-L167 HydrophobicContact CG1-CB 3.95Å; V162-L167 HydrophobicContact CG1-CD1 3.95Å; V162-L167 HydrophobicContact CG2-CB 4.2Å; W164-L167 HydrophobicContact CB-CG 4.41Å; W164-L167 PolarHBondContact O-N 3.42Å; P165-L167 VanDerWaalsContact C-N 3.28Å; P165-L167 PolarHBondContact O-N 3.15Å; L167-K170 PolarHBondContact O-N 3.37Å; L167-Y171 HydrophobicContact CD2-CD2 4.12Å; L167-Y171 HydrophobicContact CD2-CE2 4.04Å; L167-Y171 WeakPolarHBondContact O-CA 3.36Å; L167-Y171 WeakPolarHBondContact O-CB 3.34Å; L167-Y171 WeakPolarHBondContact O-CD2 3.4Å; L167-Y171 PolarHBondContact O-N 3.4Å
168K95.8Very high93.7Very high78 Ų7854 Ų5434%0.33927%0.27SS..Hα-helixtrans-62.8-43.3176.9175.158.4174.9178.90111.6V162 W164 P165 K170 Y171 P172 S174V162-K168 HydrophobicContact CG2-CB 4.19Å; W164-K168 PolarHBondContact O-N 3.15Å; P165-K168 WeakPolarHBondContact O-CB 3.12Å; P165-K168 PolarHBondContact O-N 3.01Å; K168-K170 VanDerWaalsContact C-N 3.31Å; K168-K170 PolarHBondContact O-N 3.24Å; K168-Y171 CarbonylContact O-C 3.5Å; K168-Y171 PolarHBondContact O-N 3.36Å; K168-P172 PolarHBondContact NZ-O 3.04Å; K168-P172 WeakPolarHBondContact O-CA 3.46Å; K168-S174 VanDerWaalsContact CD-O 3.23Å; K168-S174 WeakPolarHBondContact CD-O 3.32Å; K168-S174 WeakPolarHBondContact CE-O 3.47Å; K168-S174 PolarHBondContact NZ-O 3.05Å
169T95.8Very high93.9Very high123 Ų12358.6 Ų58.676%0.75529%0.294SS*.Hα-helixtrans-59.9-42.4175.3-58.10000111.5P165P165-T169 PolarHBondContact O-N 3.37Å; P165-T169 PolarHBondContact O-OG1 3.28Å
170K95.9Very high93.5Very high122 Ų12258 Ų5853%0.5329%0.29SS..Hα-helixtrans-76.2-31.3179.9-171.8168.6-178.6165.60113.8E166 L167 K168E166-K170 WeakPolarHBondContact O-CB 3.44Å; E166-K170 PolarHBondContact O-N 2.75Å; E166-K170 VanDerWaalsContact O-N 3.11Å; L167-K170 PolarHBondContact O-N 3.37Å; K168-K170 VanDerWaalsContact C-N 3.31Å; K168-K170 PolarHBondContact O-N 3.24Å
171Y95.8Very high92.3Very high11 Ų1163.3 Ų63.34%0.04333%0.328CS..SBendtrans-126.175.1-175.9-61.2-77.2000109.3L145 Y153 L167 K168 R173 S174L145-Y171 HydrophobicContact CB-CE2 4.23Å; L145-Y171 HydrophobicContact CD1-CD1 3.72Å; L145-Y171 HydrophobicContact CD1-CD2 3.75Å; L145-Y171 HydrophobicContact CD1-CE1 3.83Å; L145-Y171 HydrophobicContact CD1-CE2 3.86Å; L145-Y171 HydrophobicContact CD1-CG 3.68Å; L145-Y171 HydrophobicContact CG-CD2 3.73Å; L145-Y171 HydrophobicContact CG-CE1 4.42Å; L145-Y171 HydrophobicContact CG-CE2 3.6Å; L145-Y171 HydrophobicContact CG-CG 4.2Å; Y153-Y171 AromaticContact CD1-CD1 3.87Å; Y153-Y171 HydrophobicContact CD1-CD1 3.87Å; Y153-Y171 HydrophobicContact CD1-CE1 4.47Å; Y153-Y171 HydrophobicContact CD2-CD1 4.37Å; Y153-Y171 AromaticContact CE1-CD1 3.76Å; Y153-Y171 HydrophobicContact CE1-CD1 3.76Å; Y153-Y171 HydrophobicContact CE2-CD1 4.25Å; Y153-Y171 HydrophobicContact CE2-CG 4.42Å; Y153-Y171 HydrophobicContact CG-CD1 4.18Å; Y153-Y171 AromaticContact CZ-CD1 3.95Å; L167-Y171 HydrophobicContact CD2-CD2 4.12Å; L167-Y171 HydrophobicContact CD2-CE2 4.04Å; L167-Y171 WeakPolarHBondContact O-CA 3.36Å; L167-Y171 WeakPolarHBondContact O-CB 3.34Å; L167-Y171 WeakPolarHBondContact O-CD2 3.4Å; L167-Y171 PolarHBondContact O-N 3.4Å; K168-Y171 CarbonylContact O-C 3.5Å; K168-Y171 PolarHBondContact O-N 3.36Å; Y171-R173 PolarHBondContact O-N 2.77Å; Y171-S174 VanDerWaalsContact O-CB 3.29Å; Y171-S174 WeakPolarHBondContact O-CB 3.4Å; Y171-S174 PolarHBondContact O-N 3.38Å; Y171-S174 PolarHBondContact O-OG 3.35Å
172P95.2Very high92.2Very high88 Ų8865.9 Ų65.957%0.57134%0.341SS*.THydrogen-bonded Turntrans-62-20.8-168.722-34.5000114.9K168 S174K168-P172 PolarHBondContact NZ-O 3.04Å; K168-P172 WeakPolarHBondContact O-CA 3.46Å; P172-S174 VanDerWaalsContact C-N 3.3Å
173R94.1Very high92.1Very high80 Ų8069.3 Ų69.330%0.30236%0.359SS..THydrogen-bonded Turntrans-77.9-15.4174.4-170-179.270.383-1.2113.2L152 Y153 V158 Y171L152-R173 PolarHBondContact O-NH2 2.73Å; Y153-R173 VanDerWaalsContact C-NH2 3.26Å; Y153-R173 HydrophobicContact CE2-CB 3.63Å; Y153-R173 PolarHBondContact O-NH2 2.96Å; Y153-R173 PolarHBondContact OH-N 3.44Å; V158-R173 PolarHBondContact O-NH1 2.83Å; Y171-R173 PolarHBondContact O-N 2.77Å
174S94.8Very high91.9Very high0 Ų073 Ų730%038%0.378CS..SBendtrans-67152.9175.565.20000110.8V160 V162 K168 Y171 P172V160-S174 CarbonylContact O-C 3.21Å; V160-S174 WeakPolarHBondContact O-CA 3.44Å; V160-S174 WeakPolarHBondContact O-CB 3.36Å; V162-S174 WeakPolarHBondContact CG2-OG 3.36Å; K168-S174 VanDerWaalsContact CD-O 3.23Å; K168-S174 WeakPolarHBondContact CD-O 3.32Å; K168-S174 WeakPolarHBondContact CE-O 3.47Å; K168-S174 PolarHBondContact NZ-O 3.05Å; Y171-S174 VanDerWaalsContact O-CB 3.29Å; Y171-S174 WeakPolarHBondContact O-CB 3.4Å; Y171-S174 PolarHBondContact O-N 3.38Å; Y171-S174 PolarHBondContact O-OG 3.35Å; P172-S174 VanDerWaalsContact C-N 3.3Å
175I93.9Very high91.8Very high73 Ų7372.9 Ų72.937%0.37438%0.383SS..EExtended strand (participates in β ladder)trans-98.3121.5175.7-58.4172.9000107.1D159 V160 I161 V162 L177D159-I175 HydrophobicContact CB-CD1 4.21Å; V160-I175 PolarHBondContact O-N 3.11Å; I161-I175 CarbonylContact C-O 3.47Å; I161-I175 VanDerWaalsContact CA-O 3.29Å; I161-I175 WeakPolarHBondContact CA-O 3.23Å; I161-I175 HydrophobicContact CG1-CB 4.23Å; V162-I175 PolarHBondContact N-O 2.87Å; I175-L177 HydrophobicContact CG2-CD2 3.86Å; I175-L177 HydrophobicContact CG2-CG 4.06Å
176Y94.6Very high91.5Very high106 Ų10673.9 Ų73.942%0.41639%0.385SS..EExtended strand (participates in β ladder)trans-93.6122.7175.2172.1-108.3000109.4V162 Q163 P165V162-Y176 WeakPolarHBondContact O-CA 3.45Å; Q163-Y176 WeakPolarHBondContact O-CE2 3.29Å; P165-Y176 HydrophobicContact CB-CE2 4.44Å
177L90.5Very high91.3Very high97 Ų9771.6 Ų71.651%0.50838%0.376SS..  trans-118.23.3177.7-62.9-176.3000113.4I161 V162 I175 L180I161-L177 HydrophobicContact CD1-CD1 3.82Å; I161-L177 HydrophobicContact CG1-CD1 4.49Å; I161-L177 HydrophobicContact CG2-CB 4.39Å; I161-L177 HydrophobicContact CG2-CD1 3.94Å; I161-L177 HydrophobicContact CG2-CG 4.08Å; V162-L177 PolarHBondContact O-N 3.21Å; I175-L177 HydrophobicContact CG2-CD2 3.86Å; I175-L177 HydrophobicContact CG2-CG 4.06Å; L177-L180 HydrophobicContact CB-CD2 3.78Å; L177-L180 HydrophobicContact CB-CG 4.46Å; L177-L180 HydrophobicContact CD1-CD2 4.24Å
178G91.1Very high91Very high11 Ų1176.6 Ų76.611%0.11340%0.403CS..  trans76.1-162.8-171.600000113Q163 L180Q163-G178 WeakPolarHBondContact CA-O 3.35Å; Q163-G178 WeakPolarHBondContact CB-O 3.4Å; Q163-G178 WeakPolarHBondContact CG-O 3.18Å; G178-L180 PolarHBondContact O-N 2.96Å
179L87.7Confident90.6Very high113 Ų11376.5 Ų76.559%0.59241%0.408SS*.  trans-71.4122.2175-66.6173000109.2I139 W164I139-L179 HydrophobicContact CG2-CD2 4.15Å; W164-L179 HydrophobicContact CZ2-CD2 4.43Å
180L80.3Confident90.2Very high58 Ų5872.7 Ų72.730%0.30438%0.379SS..  trans-96.6-8.2-177.8-65.4176.7000113.2Y47 V136 I161 Q163 L177 G178Y47-L180 HydrophobicContact CD1-CB 3.81Å; Y47-L180 HydrophobicContact CE1-CB 3.18Å; Y47-L180 HydrophobicContact CE1-CD1 4.27Å; Y47-L180 HydrophobicContact CE1-CG 4.37Å; Y47-L180 WeakPolarHBondContact CE1-O 3.48Å; V136-L180 HydrophobicContact CG1-CD1 3.98Å; I161-L180 HydrophobicContact CG2-CD1 4.07Å; Q163-L180 HydrophobicContact CG-CD1 4.35Å; Q163-L180 HydrophobicContact CG-CG 4.37Å; Q163-L180 VanDerWaalsContact OE1-N 3.11Å; L177-L180 HydrophobicContact CB-CD2 3.78Å; L177-L180 HydrophobicContact CB-CG 4.46Å; L177-L180 HydrophobicContact CD1-CD2 4.24Å; G178-L180 PolarHBondContact O-N 2.96Å
181S68.7Low89.7Confident113 Ų11368.2 Ų68.279%0.7937%0.365SS*.  trans-96.90-179.960.10000112.9I139I139-S181 WeakPolarHBondContact CD1-OG 3.07Å

Retrieved 181 of 181 residues in 59.2 ms (Link to these results)

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