A0A087WQT1_MOUSE Loading...

Lymphocyte antigen 6 family member G2

AlphaFold DB , UniProt , Accession A0A087WQT1, Species MOUSE (Mus musculus, Mouse), Gene Ly6g2, Length 134 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
1M54.7Low76.6Confident237 Ų237108.8 Ų108.8100%1.16760%0.604SS**  0102.90-164142.281.100105.8S3M1-S3 PolarHBondContact O-N 3.27Å
2D63.4Low77.5Confident123 Ų123110.3 Ų110.366%0.65860%0.6SS**  trans-63.9122.1-168.4-82.7-35.7000110.8S4 H5 A6D2-S4 PolarHBondContact O-N 3.45Å; D2-S4 VanDerWaalsContact O-N 3.15Å; D2-H5 HydrophobicContact CB-CB 4.44Å; D2-H5 WeakPolarHBondContact O-CB 3.29Å; D2-H5 PolarHBondContact O-N 3.35Å; D2-A6 PolarHBondContact O-N 3.31Å
3S71.3Confident78.2Confident90 Ų90110 Ų11063%0.62960%0.596SS**Hα-helixtrans-51-35.4174.141.30000111.7M1 H5 A6 T7M1-S3 PolarHBondContact O-N 3.27Å; S3-H5 VanDerWaalsContact C-N 3.3Å; S3-H5 PolarHBondContact O-N 2.93Å; S3-A6 PolarHBondContact O-N 3.4Å; S3-T7 PolarHBondContact O-N 2.98Å; S3-T7 PolarHBondContact O-OG1 2.87Å
4S78.3Confident78.9Confident83 Ų83110.1 Ų110.158%0.5860%0.595SS**Hα-helixtrans-58.5-37.1173.8-590000113.6D2 R8D2-S4 PolarHBondContact O-N 3.45Å; D2-S4 VanDerWaalsContact O-N 3.15Å; S4-R8 WeakPolarHBondContact O-CG 3.47Å; S4-R8 PolarHBondContact O-N 3.35Å; S4-R8 VanDerWaalsContact O-N 3.16Å
5H74.6Confident79.5Confident136 Ų136108.7 Ų108.763%0.6359%0.586SS**Hα-helixtrans-73.2-43.5179.3-134.7-73.1000110.7D2 S3 R8 T9D2-H5 HydrophobicContact CB-CB 4.44Å; D2-H5 WeakPolarHBondContact O-CB 3.29Å; D2-H5 PolarHBondContact O-N 3.35Å; S3-H5 VanDerWaalsContact C-N 3.3Å; S3-H5 PolarHBondContact O-N 2.93Å; H5-R8 PolarHBondContact O-N 3.05Å; H5-T9 WeakPolarHBondContact O-CB 3.39Å; H5-T9 PolarHBondContact O-N 3.31Å; H5-T9 PolarHBondContact O-OG1 2.92Å; H5-T9 VanDerWaalsContact O-OG1 3.05Å
6A78Confident79.8Confident53 Ų53107.2 Ų107.244%0.43858%0.582SS.*Hα-helixtrans-60.6-45.8175.900000111.7D2 S3 R8 T9 C10D2-A6 PolarHBondContact O-N 3.31Å; S3-A6 PolarHBondContact O-N 3.4Å; A6-R8 PolarHBondContact O-N 3.15Å; A6-T9 PolarHBondContact O-N 2.96Å; A6-C10 PolarHBondContact O-N 3.3Å; A6-C10 PolarHBondContact O-SG 3.45Å; A6-C10 VanDerWaalsContact O-SG 3.33Å
7T79.4Confident80Confident89 Ų89104.2 Ų104.255%0.54658%0.575SS.*Hα-helixtrans-61.8-45.7178.2-530000111.8S3 C10 V11S3-T7 PolarHBondContact O-N 2.98Å; S3-T7 PolarHBondContact O-OG1 2.87Å; T7-C10 PolarHBondContact O-N 3.4Å; T7-V11 WeakPolarHBondContact O-CG2 3.43Å; T7-V11 PolarHBondContact O-N 3.29Å
8R82.8Confident80.1Confident173 Ų173105 Ų10565%0.65358%0.578SS**Hα-helixtrans-61.5-46.5177.3-73.6174.889165.35.7111.2S4 H5 A6 C10 V11 F12S4-R8 WeakPolarHBondContact O-CG 3.47Å; S4-R8 PolarHBondContact O-N 3.35Å; S4-R8 VanDerWaalsContact O-N 3.16Å; H5-R8 PolarHBondContact O-N 3.05Å; A6-R8 PolarHBondContact O-N 3.15Å; R8-C10 PolarHBondContact O-N 3Å; R8-V11 PolarHBondContact O-N 3.33Å; R8-F12 HydrophobicContact CB-CE2 4.36Å; R8-F12 WeakPolarHBondContact O-CD2 3.03Å; R8-F12 PolarHBondContact O-N 3.5Å
9T86.1Confident80Confident67 Ų67106.6 Ų106.641%0.41159%0.585SS.*Hα-helixtrans-59.3-44.8177.4-620000111.8H5 A6 V11 F12 I13H5-T9 WeakPolarHBondContact O-CB 3.39Å; H5-T9 PolarHBondContact O-N 3.31Å; H5-T9 PolarHBondContact O-OG1 2.92Å; H5-T9 VanDerWaalsContact O-OG1 3.05Å; A6-T9 PolarHBondContact O-N 2.96Å; T9-V11 PolarHBondContact O-N 2.94Å; T9-F12 PolarHBondContact O-N 2.92Å; T9-I13 HydrophobicContact CG2-CD1 3.9Å; T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.38Å; T9-I13 PolarHBondContact O-N 3.35Å
10C85.8Confident79.7Confident73 Ų73105.6 Ų105.649%0.49358%0.584SS.*Hα-helixtrans-61.5-42.8176.4-71.60000112.6A6 T7 R8 I13 L14A6-C10 PolarHBondContact O-N 3.3Å; A6-C10 PolarHBondContact O-SG 3.45Å; A6-C10 VanDerWaalsContact O-SG 3.33Å; T7-C10 PolarHBondContact O-N 3.4Å; R8-C10 PolarHBondContact O-N 3Å; C10-I13 PolarHBondContact O-N 3.26Å; C10-L14 WeakPolarHBondContact O-CG 3.29Å; C10-L14 PolarHBondContact O-N 3.31Å
11V88.4Confident79.4Confident73 Ų73102.7 Ų102.744%0.44257%0.574SS.*Hα-helixtrans-61.6-44.9177171.40000110.9T7 R8 T9 I13 L14 L15T7-V11 WeakPolarHBondContact O-CG2 3.43Å; T7-V11 PolarHBondContact O-N 3.29Å; R8-V11 PolarHBondContact O-N 3.33Å; T9-V11 PolarHBondContact O-N 2.94Å; V11-I13 VanDerWaalsContact C-N 3.35Å; V11-I13 PolarHBondContact O-N 3.16Å; V11-L14 PolarHBondContact O-N 2.99Å; V11-L15 HydrophobicContact CG1-CD1 3.88Å; V11-L15 HydrophobicContact CG1-CG 4.33Å; V11-L15 WeakPolarHBondContact O-CB 3.33Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.28Å; V11-L15 PolarHBondContact O-N 3.35Å
12F87.3Confident79.8Confident126 Ų12697.6 Ų97.655%0.55355%0.548SS*.Hα-helixtrans-61.7-41.4176.2-75-63.9000112.4R8 T9 L14 L15 V16R8-F12 HydrophobicContact CB-CE2 4.36Å; R8-F12 WeakPolarHBondContact O-CD2 3.03Å; R8-F12 PolarHBondContact O-N 3.5Å; T9-F12 PolarHBondContact O-N 2.92Å; F12-L14 PolarHBondContact O-N 3.32Å; F12-L15 PolarHBondContact O-N 3Å; F12-V16 VanDerWaalsContact O-CG2 3.28Å; F12-V16 WeakPolarHBondContact O-CG2 3.45Å; F12-V16 PolarHBondContact O-N 3.47Å
13I87.4Confident79.8Confident107 Ų10794.9 Ų94.955%0.54955%0.549SS..Hα-helixtrans-61.6-44.8177-68.4166000111T9 C10 V11 V16 A17T9-I13 HydrophobicContact CG2-CD1 3.9Å; T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.38Å; T9-I13 PolarHBondContact O-N 3.35Å; C10-I13 PolarHBondContact O-N 3.26Å; V11-I13 VanDerWaalsContact C-N 3.35Å; V11-I13 PolarHBondContact O-N 3.16Å; I13-V16 PolarHBondContact O-N 3.5Å; I13-A17 WeakPolarHBondContact O-CB 3.33Å; I13-A17 PolarHBondContact O-N 3.42Å
14L88.1Confident79.5Confident112 Ų11294.5 Ų94.559%0.58655%0.551SS**Hα-helixtrans-65.1-40.7177.8-69.9172.2000112.1C10 V11 F12 A17 L18C10-L14 WeakPolarHBondContact O-CG 3.29Å; C10-L14 PolarHBondContact O-N 3.31Å; V11-L14 PolarHBondContact O-N 2.99Å; F12-L14 PolarHBondContact O-N 3.32Å; L14-A17 PolarHBondContact O-N 2.92Å; L14-L18 WeakPolarHBondContact O-CG 3.24Å; L14-L18 PolarHBondContact O-N 3.35Å
15L86.8Confident79.1Confident88 Ų8896.9 Ų96.946%0.46155%0.553SS.*Hα-helixtrans-63.1-43.9175.9-72.8171.7000111.6V11 F12 A17 L18 L19V11-L15 HydrophobicContact CG1-CD1 3.88Å; V11-L15 HydrophobicContact CG1-CG 4.33Å; V11-L15 WeakPolarHBondContact O-CB 3.33Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.28Å; V11-L15 PolarHBondContact O-N 3.35Å; F12-L15 PolarHBondContact O-N 3Å; L15-A17 VanDerWaalsContact C-N 3.34Å; L15-L18 PolarHBondContact O-N 2.92Å; L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 VanDerWaalsContact O-CG 3.24Å; L15-L19 WeakPolarHBondContact O-CG 3.41Å; L15-L19 PolarHBondContact O-N 3.01Å
16V84.9Confident79.6Confident85 Ų8591.2 Ų91.252%0.51553%0.531SS..Hα-helixtrans-62.2-43.5175172.20000110.5F12 I13 L18 L19 C20F12-V16 VanDerWaalsContact O-CG2 3.28Å; F12-V16 WeakPolarHBondContact O-CG2 3.45Å; F12-V16 PolarHBondContact O-N 3.47Å; I13-V16 PolarHBondContact O-N 3.5Å; V16-L18 PolarHBondContact O-N 3.21Å; V16-L19 PolarHBondContact O-N 3.37Å; V16-C20 WeakPolarHBondContact O-CB 3.43Å; V16-C20 PolarHBondContact O-N 3.44Å; V16-C20 PolarHBondContact O-SG 3.19Å
17A82.8Confident80.3Confident57 Ų5789.3 Ų89.347%0.47151%0.514SS..Hα-helixtrans-61.7-41177.700000112.7I13 L14 L15 C20 A21I13-A17 WeakPolarHBondContact O-CB 3.33Å; I13-A17 PolarHBondContact O-N 3.42Å; L14-A17 PolarHBondContact O-N 2.92Å; L15-A17 VanDerWaalsContact C-N 3.34Å; A17-C20 PolarHBondContact O-N 2.95Å; A17-A21 WeakPolarHBondContact O-CB 3.36Å; A17-A21 PolarHBondContact O-N 3.22Å
18L81.8Confident80.9Confident118 Ų11888.1 Ų88.162%0.61850%0.502SS*.Hα-helixtrans-66.2-45.2176.2-74.4164.8000111.9L14 L15 V16 C20 A21 E22L14-L18 WeakPolarHBondContact O-CG 3.24Å; L14-L18 PolarHBondContact O-N 3.35Å; L15-L18 PolarHBondContact O-N 2.92Å; V16-L18 PolarHBondContact O-N 3.21Å; L18-C20 VanDerWaalsContact C-N 3.26Å; L18-C20 PolarHBondContact O-N 3.36Å; L18-A21 PolarHBondContact O-N 3.37Å; L18-A21 VanDerWaalsContact O-N 3.11Å; L18-E22 PolarHBondContact O-N 3.04Å
19L77.9Confident81.5Confident136 Ų13679.9 Ų79.971%0.71247%0.471SS*.Hα-helixtrans-63.2-33.5176.6-69.8167.9000112.1L15 V16L15-L19 WeakPolarHBondContact O-CB 3.48Å; L15-L19 VanDerWaalsContact O-CG 3.24Å; L15-L19 WeakPolarHBondContact O-CG 3.41Å; L15-L19 PolarHBondContact O-N 3.01Å; V16-L19 PolarHBondContact O-N 3.37Å
20C74.7Confident82Confident85 Ų8579.8 Ų79.857%0.57446%0.463SS*.Hα-helixtrans-75.6-28.1173.9-680000113.2V16 A17 L18V16-C20 WeakPolarHBondContact O-CB 3.43Å; V16-C20 PolarHBondContact O-N 3.44Å; V16-C20 PolarHBondContact O-SG 3.19Å; A17-C20 PolarHBondContact O-N 2.95Å; L18-C20 VanDerWaalsContact C-N 3.26Å; L18-C20 PolarHBondContact O-N 3.36Å
21A72.9Confident82.4Confident45 Ų4577.6 Ų77.637%0.37245%0.449SS..Hα-helixtrans-70.9-37.4179.100000112.2A17 L18 G23 A24 Q25A17-A21 WeakPolarHBondContact O-CB 3.36Å; A17-A21 PolarHBondContact O-N 3.22Å; L18-A21 PolarHBondContact O-N 3.37Å; L18-A21 VanDerWaalsContact O-N 3.11Å; A21-G23 VanDerWaalsContact C-N 3.32Å; A21-G23 PolarHBondContact O-N 3.25Å; A21-A24 PolarHBondContact O-N 3.24Å; A21-Q25 PolarHBondContact O-N 2.96Å
22E63.8Low82.8Confident130 Ų13075.3 Ų75.361%0.60744%0.436SS*.Hα-helixtrans-54.2-48.5176.8-161.277.1-126.500111.2L18 A24 Q25L18-E22 PolarHBondContact O-N 3.04Å; E22-A24 PolarHBondContact O-N 3.11Å; E22-Q25 PolarHBondContact O-N 2.93Å
23G62.7Low83.1Confident66 Ų6675.6 Ų75.668%0.6844%0.442SS*.THydrogen-bonded Turntrans-71.6-12.9178.900000115.1A21A21-G23 VanDerWaalsContact C-N 3.32Å; A21-G23 PolarHBondContact O-N 3.25Å
24A64.5Low83.2Confident82 Ų8272.5 Ų72.568%0.67844%0.437SS*.THydrogen-bonded Turntrans-93.5-1717900000113A21 E22 G26A21-A24 PolarHBondContact O-N 3.24Å; E22-A24 PolarHBondContact O-N 3.11Å; A24-G26 PolarHBondContact O-N 3.2Å
25Q71.7Confident83.4Confident133 Ų13368.7 Ų68.762%0.62142%0.418SS*.SBendtrans-77.7100.7170.5-65.2-175.294.300105.9A21 E22A21-Q25 PolarHBondContact O-N 2.96Å; E22-Q25 PolarHBondContact O-N 2.93Å
26G84.6Confident83.6Confident17 Ų1767.8 Ų67.818%0.17542%0.417CS..PPolyproline II helixtrans-51.2154.2-176.500000112.3A24 E28 T45A24-G26 PolarHBondContact O-N 3.2Å; G26-E28 PolarHBondContact O-N 3.41Å; G26-T45 WeakPolarHBondContact O-CG2 3.38Å
27L91.2Very high83.8Confident14 Ų1465 Ų657%0.07340%0.4CS..PPolyproline II helixtrans-47.3124.9-178.1-175.468.4000112.3C46 G51 E101 D102L27-C46 HydrophobicContact CB-CB 4.4Å; L27-C46 VanDerWaalsContact O-CB 3.23Å; L27-C46 WeakPolarHBondContact O-CB 3.48Å; L27-C46 PolarHBondContact O-N 3.45Å; L27-C46 PolarHBondContact O-SG 3.38Å; L27-G51 WeakPolarHBondContact CD2-O 2.92Å; L27-E101 VanDerWaalsContact CD1-C 3.46Å; L27-D102 WeakPolarHBondContact CA-OD1 3.23Å
28E93.4Very high84Confident63 Ų6370.1 Ų70.129%0.29441%0.414SS..EExtended strand (participates in β ladder)trans-90.3131.5172.6-161.2-176.2-177.300110.4G26 T43 M44 D102 L103G26-E28 PolarHBondContact O-N 3.41Å; E28-T43 WeakPolarHBondContact OE1-CB 3.01Å; E28-T43 PolarHBondContact OE1-OG1 3.23Å; E28-M44 WeakPolarHBondContact CA-O 3.28Å; E28-D102 HydrophobicContact CB-CB 4.38Å; E28-D102 PolarHBondContact N-OD1 3.42Å; E28-D102 CarbonylContact O-C 3.55Å; E28-D102 WeakPolarHBondContact O-CA 3.42Å; E28-L103 HydrophobicContact CB-CD2 4.09Å; E28-L103 HydrophobicContact CB-CG 4.5Å; E28-L103 HydrophobicContact CG-CD2 3.7Å; E28-L103 HydrophobicContact CG-CG 4.49Å; E28-L103 PolarHBondContact O-N 3.22Å
29C95.2Very high84.4Confident0 Ų067.1 Ų67.10%040%0.4CS..EExtended strand (participates in β ladder)trans-134.8155.1178.3-57.10000111.6T43 M44 C46 C53C29-T43 CarbonylContact O-C 3.55Å; C29-T43 WeakPolarHBondContact O-CA 3.11Å; C29-M44 PolarHBondContact N-O 2.8Å; C29-M44 PolarHBondContact O-N 3.25Å; C29-C46 PolarHBondContact SG-SG 2.87Å; C29-C53 HydrophobicContact CB-CB 3.76Å; C29-C53 WeakPolarHBondContact CB-SG 3.46Å; C29-C53 WeakPolarHBondContact SG-CA 3.41Å; C29-C53 WeakPolarHBondContact SG-CB 3.47Å; C29-C53 CovalentContact SG-SG 2.02Å; C29-C53 PolarHBondContact SG-SG 3.23Å
30Y96.2Very high85.1Confident65 Ų6566 Ų6626%0.25540%0.404SS..EExtended strand (participates in β ladder)trans-68.4141.3162.1-68.8-80.2000110.3C41 K42 T43 N72 L103 N105 A106Y30-C41 HydrophobicContact CD1-CB 4.49Å; Y30-C41 WeakPolarHBondContact CD1-O 3.08Å; Y30-K42 CarbonylContact C-O 3.57Å; Y30-T43 HydrophobicContact CD1-CG2 3.65Å; Y30-T43 HydrophobicContact CE1-CG2 3.44Å; Y30-T43 VanDerWaalsContact CE1-CG2 3.44Å; Y30-T43 HydrophobicContact CG-CG2 4.34Å; Y30-N72 VanDerWaalsContact O-CB 3.22Å; Y30-N72 WeakPolarHBondContact O-CB 3.4Å; Y30-L103 HydrophobicContact CD2-CB 4.37Å; Y30-L103 HydrophobicContact CD2-CD2 4.34Å; Y30-L103 HydrophobicContact CE2-CB 3.78Å; Y30-L103 HydrophobicContact CE2-CD2 4.1Å; Y30-L103 HydrophobicContact CE2-CG 4.43Å; Y30-N105 WeakPolarHBondContact CB-OD1 3.24Å; Y30-N105 WeakPolarHBondContact CD2-OD1 2.94Å; Y30-N105 PolarHBondContact N-OD1 3.47Å; Y30-N105 PolarHBondContact O-ND2 3.44Å; Y30-A106 HydrophobicContact CD2-CB 4Å; Y30-A106 HydrophobicContact CE2-CB 3.42Å; Y30-A106 VanDerWaalsContact CE2-CB 3.42Å
31C94.9Very high86Confident28 Ų2862.8 Ų62.819%0.18938%0.382CS..EExtended strand (participates in β ladder)trans-138127.8-177.7-78.30000113.1K42 M44 N72C31-K42 PolarHBondContact N-O 2.75Å; C31-K42 PolarHBondContact O-N 3.29Å; C31-M44 HydrophobicContact CB-CG 3.96Å; C31-M44 HydrophobicContact CB-SD 3.72Å; C31-M44 VanDerWaalsContact SG-CG 3.51Å; C31-M44 PolarHBondContact SG-SD 2.91Å; C31-N72 CarbonylContact C-O 3.56Å; C31-N72 VanDerWaalsContact CA-O 3.24Å; C31-N72 WeakPolarHBondContact CA-O 3.09Å
32C95.8Very high87.1Confident24 Ų2469 Ų6916%0.16240%0.401CS..EExtended strand (participates in β ladder)trans-169.6159.7179.251.30000109.4V35 C41 S71 N72C32-V35 HydrophobicContact CB-CG1 4.23Å; C32-V35 HydrophobicContact CB-CG2 3.96Å; C32-C41 HydrophobicContact CB-CB 3.58Å; C32-C41 WeakPolarHBondContact CB-SG 3.45Å; C32-C41 WeakPolarHBondContact SG-CB 3Å; C32-C41 CovalentContact SG-SG 2.02Å; C32-C41 PolarHBondContact SG-SG 3.34Å; C32-S71 CarbonylContact O-C 3.57Å; C32-S71 VanDerWaalsContact O-CA 3.31Å; C32-S71 WeakPolarHBondContact O-CA 3.29Å; C32-N72 PolarHBondContact N-O 2.85Å; C32-N72 PolarHBondContact O-N 3.47Å
33L93.6Very high88.6Confident133 Ų13365.2 Ų65.270%0.69639%0.387SS*.EExtended strand (participates in β ladder)trans-132124.8-176.8-171.174000110.7V35 L73L33-V35 PolarHBondContact O-N 2.79Å; L33-L73 HydrophobicContact CD1-CD2 4.41Å
34G90.1Very high90.1Very high42 Ų4266.6 Ų66.643%0.43338%0.377SS..EExtended strand (participates in β ladder)trans56.532.4171.600000114.6K70 S71G34-K70 WeakPolarHBondContact CA-O 3.31Å; G34-K70 PolarHBondContact N-O 2.77Å; G34-K70 VanDerWaalsContact N-O 3.11Å; G34-S71 PolarHBondContact N-OG 3.46Å
35V91.9Very high91.5Very high31 Ų3167 Ų6719%0.18837%0.371CS..EExtended strand (participates in β ladder)trans-91.1154.2-178.8-60.50000110.6C32 L33 T39 V69 K70C32-V35 HydrophobicContact CB-CG1 4.23Å; C32-V35 HydrophobicContact CB-CG2 3.96Å; L33-V35 PolarHBondContact O-N 2.79Å; V35-T39 HydrophobicContact CB-CG2 3.96Å; V35-T39 HydrophobicContact CG1-CG2 4.35Å; V35-T39 HydrophobicContact CG2-CG2 4.12Å; V35-V69 CarbonylContact O-C 3.48Å; V35-V69 VanDerWaalsContact O-CA 3.24Å; V35-V69 WeakPolarHBondContact O-CA 3.24Å; V35-K70 HydrophobicContact CG2-CG 3.98Å; V35-K70 PolarHBondContact N-O 2.91Å; V35-K70 PolarHBondContact O-N 2.94Å
36P90.5Very high92.5Very high69 Ų6961 Ų6145%0.44834%0.343SS..EExtended strand (participates in β ladder)trans-52.7145.9171.1-25.733.9000112E38 T39P36-E38 PolarHBondContact O-N 2.83Å; P36-E38 VanDerWaalsContact O-N 3.08Å; P36-T39 WeakPolarHBondContact CD-OG1 3.38Å; P36-T39 WeakPolarHBondContact O-CB 3.45Å; P36-T39 PolarHBondContact O-N 3.49Å; P36-T39 PolarHBondContact O-OG1 3.06Å
37L89.1Confident92.7Very high27 Ų2765 Ų6514%0.14137%0.366CS..THydrogen-bonded Turntrans-50.9-37.7-176.9-75.2175.9000114.4T39 E57 K68 K70L37-T39 PolarHBondContact O-N 2.03Å; L37-E57 HydrophobicContact CD2-CG 3.89Å; L37-K68 HydrophobicContact CD1-CB 3.39Å; L37-K68 HydrophobicContact CD1-CD 3.8Å; L37-K68 HydrophobicContact CD1-CG 4.25Å; L37-K68 HydrophobicContact CG-CB 3.81Å; L37-K68 PolarHBondContact N-O 2.89Å; L37-K70 HydrophobicContact CD2-CB 3.89Å; L37-K70 HydrophobicContact CD2-CD 4.27Å; L37-K70 HydrophobicContact CD2-CG 4.28Å; L37-K70 WeakPolarHBondContact O-CE 3.22Å; L37-K70 PolarHBondContact O-NZ 3.05Å
38E87.5Confident92.3Very high164 Ų16469.9 Ų69.977%0.76639%0.385SS*.THydrogen-bonded Turntrans-76.7-9.1-179.2-56.8-52.8138.900113.7P36 S40P36-E38 PolarHBondContact O-N 2.83Å; P36-E38 VanDerWaalsContact O-N 3.08Å; E38-S40 PolarHBondContact O-N 2.02Å
39T90.7Very high91.4Very high55 Ų5570.7 Ų70.734%0.33740%0.397SS..PPolyproline II helixtrans-73.3127.2-178.5-59.10000109.9V35 P36 L37 K70V35-T39 HydrophobicContact CB-CG2 3.96Å; V35-T39 HydrophobicContact CG1-CG2 4.35Å; V35-T39 HydrophobicContact CG2-CG2 4.12Å; P36-T39 WeakPolarHBondContact CD-OG1 3.38Å; P36-T39 WeakPolarHBondContact O-CB 3.45Å; P36-T39 PolarHBondContact O-N 3.49Å; P36-T39 PolarHBondContact O-OG1 3.06Å; L37-T39 PolarHBondContact O-N 2.03Å; T39-K70 WeakPolarHBondContact O-CE 3.42Å; T39-K70 PolarHBondContact O-NZ 3.18Å
40S91.9Very high90.5Very high112 Ų11277.2 Ų77.278%0.78343%0.432SS*.PPolyproline II helixtrans-71.4139173.6-45.40000110.5E38E38-S40 PolarHBondContact O-N 2.02Å
41C94.4Very high90.2Very high19 Ų1974.2 Ų74.213%0.12842%0.421CS..PPolyproline II helixtrans-103.2153.9179.3-56.50000109.9Y30 C32Y30-C41 HydrophobicContact CD1-CB 4.49Å; Y30-C41 WeakPolarHBondContact CD1-O 3.08Å; C32-C41 HydrophobicContact CB-CB 3.58Å; C32-C41 WeakPolarHBondContact CB-SG 3.45Å; C32-C41 WeakPolarHBondContact SG-CB 3Å; C32-C41 CovalentContact SG-SG 2.02Å; C32-C41 PolarHBondContact SG-SG 3.34Å
42K95.8Very high90.2Very high174 Ų17474.9 Ų74.976%0.75742%0.421SS*.EExtended strand (participates in β ladder)trans-83.9146.1177.7-171.6178.1175.7-178.40109.3Y30 C31Y30-K42 CarbonylContact C-O 3.57Å; C31-K42 PolarHBondContact N-O 2.75Å; C31-K42 PolarHBondContact O-N 3.29Å
43T95.1Very high90.1Very high52 Ų5273.7 Ų73.732%0.31941%0.413SS..EExtended strand (participates in β ladder)trans-80.7151.2173.669.70000111.5E28 C29 Y30 L103E28-T43 WeakPolarHBondContact OE1-CB 3.01Å; E28-T43 PolarHBondContact OE1-OG1 3.23Å; C29-T43 CarbonylContact O-C 3.55Å; C29-T43 WeakPolarHBondContact O-CA 3.11Å; Y30-T43 HydrophobicContact CD1-CG2 3.65Å; Y30-T43 HydrophobicContact CE1-CG2 3.44Å; Y30-T43 VanDerWaalsContact CE1-CG2 3.44Å; Y30-T43 HydrophobicContact CG-CG2 4.34Å; T43-L103 HydrophobicContact CG2-CD2 3.48Å; T43-L103 VanDerWaalsContact CG2-CD2 3.48Å
44M93.2Very high90.2Very high95 Ų9567.4 Ų67.447%0.46838%0.38SS..EExtended strand (participates in β ladder)trans-151.7149.9168.571.3-178.3-55.100111.7E28 C29 C31E28-M44 WeakPolarHBondContact CA-O 3.28Å; C29-M44 PolarHBondContact N-O 2.8Å; C29-M44 PolarHBondContact O-N 3.25Å; C31-M44 HydrophobicContact CB-CG 3.96Å; C31-M44 HydrophobicContact CB-SD 3.72Å; C31-M44 VanDerWaalsContact SG-CG 3.51Å; C31-M44 PolarHBondContact SG-SD 2.91Å
45T93.8Very high90.4Very high89 Ų8965.8 Ų65.855%0.54636%0.362SS..EExtended strand (participates in β ladder)trans-71.8123.5168-51.20000109.7G26G26-T45 WeakPolarHBondContact O-CG2 3.38Å
46C93.2Very high90.3Very high7 Ų765.6 Ų65.65%0.04736%0.359CS..  trans-68.5144.2177.6-61.60000111L27 C29 Y48 C74L27-C46 HydrophobicContact CB-CB 4.4Å; L27-C46 VanDerWaalsContact O-CB 3.23Å; L27-C46 WeakPolarHBondContact O-CB 3.48Å; L27-C46 PolarHBondContact O-N 3.45Å; L27-C46 PolarHBondContact O-SG 3.38Å; C29-C46 PolarHBondContact SG-SG 2.87Å; C46-Y48 PolarHBondContact O-N 2.74Å; C46-C74 WeakPolarHBondContact CA-SG 3.41Å; C46-C74 HydrophobicContact CB-CB 3.66Å; C46-C74 WeakPolarHBondContact CB-SG 3.34Å; C46-C74 WeakPolarHBondContact SG-CB 3.01Å; C46-C74 CovalentContact SG-SG 2.03Å; C46-C74 PolarHBondContact SG-SG 3.34Å
47P89.2Confident90.2Very high102 Ų10263.6 Ų63.666%0.66234%0.344SS*.SBendtrans-72.2-8.2177.129.9-34.9000113.4
48Y83.4Confident90.1Very high117 Ų11765.3 Ų65.346%0.45935%0.351SS..  trans-116.7116.8-178-45.9-69000109.1C46 D50 G51 P76C46-Y48 PolarHBondContact O-N 2.74Å; Y48-D50 VanDerWaalsContact C-N 3.32Å; Y48-D50 PolarHBondContact O-N 2.78Å; Y48-G51 PolarHBondContact O-N 3.47Å; Y48-P76 HydrophobicContact CD1-CB 4.37Å; Y48-P76 HydrophobicContact CD2-CB 4.04Å; Y48-P76 HydrophobicContact CD2-CG 4.48Å; Y48-P76 HydrophobicContact CE2-CB 4.23Å; Y48-P76 HydrophobicContact CE2-CG 4.22Å; Y48-P76 HydrophobicContact CG-CB 4.11Å
49S74Confident90Very high80 Ų8061.6 Ų61.656%0.55933%0.333SS*.THydrogen-bonded Turntrans-63.1-37.9178.954.20000112.5G51S49-G51 VanDerWaalsContact C-N 3.27Å; S49-G51 PolarHBondContact O-N 3.43Å
50D76.2Confident89.3Confident136 Ų13661.6 Ų61.673%0.72733%0.333SS*.THydrogen-bonded Turntrans-9321.7178.1-60-30.9000112.8Y48Y48-D50 VanDerWaalsContact C-N 3.32Å; Y48-D50 PolarHBondContact O-N 2.78Å
51G89.4Confident88.5Confident2 Ų261.3 Ų61.32%0.02132%0.322CS..  trans-70.8-175.9-178.200000113.9L27 Y48 S49 L75L27-G51 WeakPolarHBondContact CD2-O 2.92Å; Y48-G51 PolarHBondContact O-N 3.47Å; S49-G51 VanDerWaalsContact C-N 3.27Å; S49-G51 PolarHBondContact O-N 3.43Å; G51-L75 CarbonylContact C-O 3.54Å; G51-L75 WeakPolarHBondContact CA-O 3.16Å
52F94.8Very high87.6Confident42 Ų4263.7 Ų63.718%0.18434%0.335CS..EExtended strand (participates in β ladder)trans-125.9137.5173.9-64.9-101.3000109V54 L75 C78 C98 C99 K100F52-V54 HydrophobicContact CB-CG2 3.86Å; F52-V54 PolarHBondContact O-N 2.02Å; F52-L75 PolarHBondContact N-O 2.84Å; F52-L75 PolarHBondContact O-N 2.84Å; F52-C78 HydrophobicContact CD1-CB 3.98Å; F52-C78 HydrophobicContact CE1-CB 3.93Å; F52-C78 HydrophobicContact CG-CB 4.23Å; F52-C78 HydrophobicContact CZ-CB 4.2Å; F52-C98 HydrophobicContact CB-CB 4.47Å; F52-C98 HydrophobicContact CD1-CB 3.9Å; F52-C99 WeakPolarHBondContact CA-O 3Å; F52-K100 HydrophobicContact CD1-CD 4.37Å; F52-K100 HydrophobicContact CD1-CG 3.74Å; F52-K100 HydrophobicContact CE1-CD 4.07Å; F52-K100 HydrophobicContact CE1-CG 3.9Å; F52-K100 HydrophobicContact CG-CG 4.4Å; F52-K100 HydrophobicContact CZ-CD 4.42Å
53C95.3Very high86.7Confident0 Ų062.1 Ų62.10%034%0.336CS..EExtended strand (participates in β ladder)trans-75.6119.4156.3-56.10000107.4C29 C98 C99 C104 N105C29-C53 HydrophobicContact CB-CB 3.76Å; C29-C53 WeakPolarHBondContact CB-SG 3.46Å; C29-C53 WeakPolarHBondContact SG-CA 3.41Å; C29-C53 WeakPolarHBondContact SG-CB 3.47Å; C29-C53 CovalentContact SG-SG 2.02Å; C29-C53 PolarHBondContact SG-SG 3.23Å; C53-C98 WeakPolarHBondContact O-CA 3.22Å; C53-C99 PolarHBondContact N-O 3.17Å; C53-C99 PolarHBondContact O-N 3.42Å; C53-C104 VanDerWaalsContact CB-SG 3.58Å; C53-N105 HydrophobicContact CB-CB 3.77Å
54V94.5Very high85.8Confident0 Ų065 Ų650%036%0.358CS..EExtended strand (participates in β ladder)trans-112.8137-177.9-178.90000109.4F52 Q56 N72 L73 L75 P79 T96 F97F52-V54 HydrophobicContact CB-CG2 3.86Å; F52-V54 PolarHBondContact O-N 2.02Å; V54-Q56 HydrophobicContact CG1-CG 4.24Å; V54-N72 CarbonylContact O-C 3.5Å; V54-N72 VanDerWaalsContact O-CA 3.24Å; V54-N72 WeakPolarHBondContact O-CA 2.95Å; V54-L73 PolarHBondContact N-O 3.27Å; V54-L73 PolarHBondContact O-N 2.96Å; V54-L75 HydrophobicContact CB-CD1 4.24Å; V54-L75 HydrophobicContact CG1-CD1 4.3Å; V54-L75 HydrophobicContact CG2-CB 3.99Å; V54-L75 HydrophobicContact CG2-CD1 4Å; V54-L75 HydrophobicContact CG2-CG 4.25Å; V54-P79 HydrophobicContact CG1-CG 4.19Å; V54-T96 HydrophobicContact CG1-CG2 3.95Å; V54-F97 CarbonylContact C-O 3.58Å; V54-F97 VanDerWaalsContact CA-O 3.31Å; V54-F97 WeakPolarHBondContact CA-O 3.4Å
55T93.7Very high85.2Confident9 Ų967 Ų676%0.05537%0.366CS..EExtended strand (participates in β ladder)trans-118.9125.6168.6-61.20000108.1E57 S71 N72 T96 F97 N105T55-E57 HydrophobicContact CG2-CG 4.3Å; T55-S71 CarbonylContact C-O 3.58Å; T55-S71 WeakPolarHBondContact CA-O 3.46Å; T55-N72 WeakPolarHBondContact CG2-OD1 3.38Å; T55-N72 PolarHBondContact OG1-OD1 2.92Å; T55-T96 CarbonylContact O-C 3.47Å; T55-T96 WeakPolarHBondContact O-CA 3.5Å; T55-F97 PolarHBondContact N-O 2.72Å; T55-F97 PolarHBondContact O-N 2.86Å; T55-N105 WeakPolarHBondContact OG1-CB 3.38Å
56Q90.6Very high84.6Confident27 Ų2766.4 Ų66.413%0.12636%0.362CS..EExtended strand (participates in β ladder)trans-115128.3170.2-72.5176.9-10.900108.8V54 K70 S71 N81 V94 K95 T96V54-Q56 HydrophobicContact CG1-CG 4.24Å; Q56-K70 CarbonylContact O-C 3.56Å; Q56-K70 WeakPolarHBondContact O-CA 3.43Å; Q56-S71 PolarHBondContact N-O 2.02Å; Q56-S71 PolarHBondContact O-N 3.01Å; Q56-N81 PolarHBondContact NE2-ND2 2.85Å; Q56-V94 HydrophobicContact CB-CG1 4.48Å; Q56-K95 CarbonylContact C-O 3.58Å; Q56-K95 VanDerWaalsContact CA-O 3.3Å; Q56-K95 WeakPolarHBondContact CA-O 3.17Å; Q56-T96 HydrophobicContact CG-CG2 4.21Å
57E89.3Confident84.1Confident27 Ų2769.5 Ų69.513%0.12638%0.377CS..EExtended strand (participates in β ladder)trans-113.5132.3172.2-64.2-173176.100109.6L37 T55 V69 K70 V94 K95 L109L37-E57 HydrophobicContact CD2-CG 3.89Å; T55-E57 HydrophobicContact CG2-CG 4.3Å; E57-V69 WeakPolarHBondContact CA-O 3.24Å; E57-K70 HydrophobicContact CG-CB 4.32Å; E57-V94 WeakPolarHBondContact O-CA 3.11Å; E57-K95 PolarHBondContact N-O 3.43Å; E57-K95 PolarHBondContact O-N 3.04Å; E57-L109 HydrophobicContact CG-CD1 4.42Å; E57-L109 WeakPolarHBondContact OE1-CD1 3.37Å
58E86Confident84.1Confident62 Ų6270 Ų7029%0.2937%0.369SS..EExtended strand (participates in β ladder)trans-131.1145.3-176.6-51.9-177.7172.900109.9K68 V69 V92 V94E58-K68 WeakPolarHBondContact O-CA 3.46Å; E58-V69 HydrophobicContact CB-CG2 3.88Å; E58-V69 PolarHBondContact N-O 2.82Å; E58-V69 PolarHBondContact O-N 2.95Å; E58-V92 HydrophobicContact CB-CG1 4.12Å; E58-V94 HydrophobicContact CG-CG1 4.18Å; E58-V94 HydrophobicContact CG-CG2 4.1Å
59E84.5Confident84.4Confident86 Ų8665.3 Ų65.340%0.40235%0.353SS..EExtended strand (participates in β ladder)trans-104.8113.3174.5-170.1170.9148.400109.7T66 K68E59-T66 HydrophobicContact CG-CG2 3.25Å; E59-T66 WeakPolarHBondContact OE1-CG2 3.03Å; E59-K68 HydrophobicContact CG-CG 4.47Å
60V76.2Confident85.2Confident55 Ų5562.3 Ų62.333%0.33333%0.33SS..EExtended strand (participates in β ladder)trans-113.8132.1-177-173.70000109.3V62 I67 V69V60-V62 HydrophobicContact CG1-CG2 4.09Å; V60-I67 PolarHBondContact N-O 2.95Å; V60-I67 PolarHBondContact O-N 3.05Å; V60-V69 HydrophobicContact CG2-CG2 3.91Å
61I76.6Confident86Confident107 Ų10756.2 Ų56.255%0.54930%0.297SS..EExtended strand (participates in β ladder)trans-94.7116.1177.1-53.1176.1000108.7
62V74.4Confident86.3Confident68 Ų6856.4 Ų56.441%0.41230%0.298SS..EExtended strand (participates in β ladder)trans-122.2120.4176.1-176.60000108.4V60 S64 H65 I67V60-V62 HydrophobicContact CG1-CG2 4.09Å; V62-S64 VanDerWaalsContact C-N 3.3Å; V62-S64 PolarHBondContact O-N 2.01Å; V62-H65 PolarHBondContact N-O 3.17Å; V62-H65 WeakPolarHBondContact O-CA 3.19Å; V62-H65 WeakPolarHBondContact O-CB 3.31Å; V62-H65 PolarHBondContact O-N 2.96Å; V62-H65 VanDerWaalsContact O-O 3.12Å; V62-I67 HydrophobicContact CB-CD1 4Å; V62-I67 HydrophobicContact CG2-CD1 4.09Å
63D77.5Confident86.3Confident142 Ų14256.7 Ų56.776%0.75930%0.301SS*.THydrogen-bonded Turntrans48.647.9178.5-62.9-26.3000113.6H65D63-H65 PolarHBondContact O-N 2.96Å; D63-H65 VanDerWaalsContact O-N 3.11Å
64S76.1Confident86.3Confident113 Ų11357.7 Ų57.779%0.7931%0.308SS*.THydrogen-bonded Turntrans63.43.6-175.4490000116.5V62V62-S64 VanDerWaalsContact C-N 3.3Å; V62-S64 PolarHBondContact O-N 2.01Å
65H81Confident86.3Confident136 Ų13660 Ų6063%0.6332%0.32SS*.EExtended strand (participates in β ladder)trans-97.1128.3168-62139.4000110.7V62 D63 I67V62-H65 PolarHBondContact N-O 3.17Å; V62-H65 WeakPolarHBondContact O-CA 3.19Å; V62-H65 WeakPolarHBondContact O-CB 3.31Å; V62-H65 PolarHBondContact O-N 2.96Å; V62-H65 VanDerWaalsContact O-O 3.12Å; D63-H65 PolarHBondContact O-N 2.96Å; D63-H65 VanDerWaalsContact O-N 3.11Å; H65-I67 PolarHBondContact O-N 3.27Å
66T80Confident86.3Confident77 Ų7762.7 Ų62.747%0.47234%0.337SS..EExtended strand (participates in β ladder)trans-75.3120.5168.2-68.90000109.5E59E59-T66 HydrophobicContact CG-CG2 3.25Å; E59-T66 WeakPolarHBondContact OE1-CG2 3.03Å
67I84Confident86.3Confident71 Ų7167 Ų6736%0.36436%0.361SS..EExtended strand (participates in β ladder)trans-115.9126.9173.6-54.5176.2000107.9V60 V62 H65 V69V60-I67 PolarHBondContact N-O 2.95Å; V60-I67 PolarHBondContact O-N 3.05Å; V62-I67 HydrophobicContact CB-CD1 4Å; V62-I67 HydrophobicContact CG2-CD1 4.09Å; H65-I67 PolarHBondContact O-N 3.27Å; I67-V69 HydrophobicContact CG2-CG1 4.22Å
68K87.8Confident86.5Confident112 Ų11268.2 Ų68.249%0.48737%0.371SS..EExtended strand (participates in β ladder)trans-90127.1171.2-64.6-175.7177.8-175.50109.8L37 E58 E59L37-K68 HydrophobicContact CD1-CB 3.39Å; L37-K68 HydrophobicContact CD1-CD 3.8Å; L37-K68 HydrophobicContact CD1-CG 4.25Å; L37-K68 HydrophobicContact CG-CB 3.81Å; L37-K68 PolarHBondContact N-O 2.89Å; E58-K68 WeakPolarHBondContact O-CA 3.46Å; E59-K68 HydrophobicContact CG-CG 4.47Å
69V90.1Very high86.6Confident20 Ų2066.5 Ų66.512%0.12137%0.366CS..EExtended strand (participates in β ladder)trans-117.3155.5177.3-60.30000109.9V35 E57 E58 V60 I67V35-V69 CarbonylContact O-C 3.48Å; V35-V69 VanDerWaalsContact O-CA 3.24Å; V35-V69 WeakPolarHBondContact O-CA 3.24Å; E57-V69 WeakPolarHBondContact CA-O 3.24Å; E58-V69 HydrophobicContact CB-CG2 3.88Å; E58-V69 PolarHBondContact N-O 2.82Å; E58-V69 PolarHBondContact O-N 2.95Å; V60-V69 HydrophobicContact CG2-CG2 3.91Å; I67-V69 HydrophobicContact CG2-CG1 4.22Å
70K91.4Very high86.3Confident17 Ų1769 Ų697%0.07439%0.387CS..EExtended strand (participates in β ladder)trans-127.8153.8171.863.3179.5-174.4-167.90112.3G34 V35 L37 T39 Q56 E57G34-K70 WeakPolarHBondContact CA-O 3.31Å; G34-K70 PolarHBondContact N-O 2.77Å; G34-K70 VanDerWaalsContact N-O 3.11Å; V35-K70 HydrophobicContact CG2-CG 3.98Å; V35-K70 PolarHBondContact N-O 2.91Å; V35-K70 PolarHBondContact O-N 2.94Å; L37-K70 HydrophobicContact CD2-CB 3.89Å; L37-K70 HydrophobicContact CD2-CD 4.27Å; L37-K70 HydrophobicContact CD2-CG 4.28Å; L37-K70 WeakPolarHBondContact O-CE 3.22Å; L37-K70 PolarHBondContact O-NZ 3.05Å; T39-K70 WeakPolarHBondContact O-CE 3.42Å; T39-K70 PolarHBondContact O-NZ 3.18Å; Q56-K70 CarbonylContact O-C 3.56Å; Q56-K70 WeakPolarHBondContact O-CA 3.43Å; E57-K70 HydrophobicContact CG-CB 4.32Å
71S93.3Very high85.8Confident7 Ų769 Ų695%0.04939%0.385CS..EExtended strand (participates in β ladder)trans-128.9124.1168.5-60.90000108.6C32 G34 T55 Q56C32-S71 CarbonylContact O-C 3.57Å; C32-S71 VanDerWaalsContact O-CA 3.31Å; C32-S71 WeakPolarHBondContact O-CA 3.29Å; G34-S71 PolarHBondContact N-OG 3.46Å; T55-S71 CarbonylContact C-O 3.58Å; T55-S71 WeakPolarHBondContact CA-O 3.46Å; Q56-S71 PolarHBondContact N-O 2.02Å; Q56-S71 PolarHBondContact O-N 3.01Å
72N95.1Very high84.9Confident6 Ų667.9 Ų67.93%0.03239%0.385CS..EExtended strand (participates in β ladder)trans-107.9131.3171.8-71.215.1000108.4Y30 C31 C32 V54 T55 N105Y30-N72 VanDerWaalsContact O-CB 3.22Å; Y30-N72 WeakPolarHBondContact O-CB 3.4Å; C31-N72 CarbonylContact C-O 3.56Å; C31-N72 VanDerWaalsContact CA-O 3.24Å; C31-N72 WeakPolarHBondContact CA-O 3.09Å; C32-N72 PolarHBondContact N-O 2.85Å; C32-N72 PolarHBondContact O-N 3.47Å; V54-N72 CarbonylContact O-C 3.5Å; V54-N72 VanDerWaalsContact O-CA 3.24Å; V54-N72 WeakPolarHBondContact O-CA 2.95Å; T55-N72 WeakPolarHBondContact CG2-OD1 3.38Å; T55-N72 PolarHBondContact OG1-OD1 2.92Å; N72-N105 PolarHBondContact ND2-O 3.39Å
73L94.5Very high84.2Confident48 Ų4871.5 Ų71.525%0.25140%0.397SS..EExtended strand (participates in β ladder)trans-143.2151.2-168.3-61.4168.1000111.6L33 V54 L75L33-L73 HydrophobicContact CD1-CD2 4.41Å; V54-L73 PolarHBondContact N-O 3.27Å; V54-L73 PolarHBondContact O-N 2.96Å; L73-L75 HydrophobicContact CB-CG 4.21Å; L73-L75 HydrophobicContact CD1-CD1 4.5Å
74C94.9Very high83.1Confident21 Ų2168.6 Ų68.614%0.14239%0.385CS..EExtended strand (participates in β ladder)trans-89.2118.9160.1-72.30000109.1C46C46-C74 WeakPolarHBondContact CA-SG 3.41Å; C46-C74 HydrophobicContact CB-CB 3.66Å; C46-C74 WeakPolarHBondContact CB-SG 3.34Å; C46-C74 WeakPolarHBondContact SG-CB 3.01Å; C46-C74 CovalentContact SG-SG 2.03Å; C46-C74 PolarHBondContact SG-SG 3.34Å
75L94.6Very high82.3Confident50 Ų5066 Ų6626%0.26236%0.364SS..EExtended strand (participates in β ladder)trans-129146.7175.5-67.8178.1000111.5G51 F52 V54 L73 I77 P79G51-L75 CarbonylContact C-O 3.54Å; G51-L75 WeakPolarHBondContact CA-O 3.16Å; F52-L75 PolarHBondContact N-O 2.84Å; F52-L75 PolarHBondContact O-N 2.84Å; V54-L75 HydrophobicContact CB-CD1 4.24Å; V54-L75 HydrophobicContact CG1-CD1 4.3Å; V54-L75 HydrophobicContact CG2-CB 3.99Å; V54-L75 HydrophobicContact CG2-CD1 4Å; V54-L75 HydrophobicContact CG2-CG 4.25Å; L73-L75 HydrophobicContact CB-CG 4.21Å; L73-L75 HydrophobicContact CD1-CD1 4.5Å; L75-I77 VanDerWaalsContact CB-O 3.29Å; L75-I77 WeakPolarHBondContact CB-O 3.35Å; L75-I77 PolarHBondContact O-N 3.4Å; L75-P79 HydrophobicContact CD1-CG 3.93Å
76P93.5Very high81Confident64 Ų6467.4 Ų67.442%0.41637%0.371SS..SBendtrans-71.2-16.5176.630.2-35000112.6Y48Y48-P76 HydrophobicContact CD1-CB 4.37Å; Y48-P76 HydrophobicContact CD2-CB 4.04Å; Y48-P76 HydrophobicContact CD2-CG 4.48Å; Y48-P76 HydrophobicContact CE2-CB 4.23Å; Y48-P76 HydrophobicContact CE2-CG 4.22Å; Y48-P76 HydrophobicContact CG-CB 4.11Å
77I92.5Very high80Confident119 Ų11970.4 Ų70.461%0.6138%0.378SS*.SBendtrans-137.3151.8179.660.3173.7000109.5L75 P79L75-I77 VanDerWaalsContact CB-O 3.29Å; L75-I77 WeakPolarHBondContact CB-O 3.35Å; L75-I77 PolarHBondContact O-N 3.4Å; I77-P79 VanDerWaalsContact O-CD 3.31Å; I77-P79 WeakPolarHBondContact O-CD 3.31Å
78C92.8Very high78.7Confident52 Ų5274.7 Ų74.735%0.35140%0.401SS..  trans-80113.6167.6178.60000109.4F52 T80 C98F52-C78 HydrophobicContact CD1-CB 3.98Å; F52-C78 HydrophobicContact CE1-CB 3.93Å; F52-C78 HydrophobicContact CG-CB 4.23Å; F52-C78 HydrophobicContact CZ-CB 4.2Å; C78-T80 PolarHBondContact O-N 2.91Å; C78-C98 WeakPolarHBondContact CA-SG 3.37Å; C78-C98 HydrophobicContact CB-CB 3.54Å; C78-C98 WeakPolarHBondContact CB-SG 3.3Å; C78-C98 WeakPolarHBondContact SG-CB 3.15Å; C78-C98 CovalentContact SG-SG 2.02Å; C78-C98 PolarHBondContact SG-SG 3.34Å
79P87.2Confident77.2Confident26 Ų2672.4 Ų72.417%0.16941%0.409CS..  trans-68.2133.4-179.123.2-26.4000111V54 L75 I77 N81 T96V54-P79 HydrophobicContact CG1-CG 4.19Å; L75-P79 HydrophobicContact CD1-CG 3.93Å; I77-P79 VanDerWaalsContact O-CD 3.31Å; I77-P79 WeakPolarHBondContact O-CD 3.31Å; P79-N81 PolarHBondContact O-N 3.3Å; P79-T96 HydrophobicContact CG-CG2 3.99Å
80T79.5Confident75.8Confident138 Ų13876.2 Ų76.285%0.84743%0.428SS*.  trans-93.682.1168.2-48.70000107.5C78C78-T80 PolarHBondContact O-N 2.91Å
81N64.9Low74.4Confident54 Ų5479 Ų7929%0.28946%0.455SS..  trans-72141.1172-64.6-13.2000108.2Q56 P79 E83 T96Q56-N81 PolarHBondContact NE2-ND2 2.85Å; P79-N81 PolarHBondContact O-N 3.3Å; N81-E83 PolarHBondContact O-N 2.82Å; N81-T96 PolarHBondContact ND2-OG1 3.44Å
82P58.8Low73.3Confident85 Ų8579.6 Ų79.655%0.55246%0.458SS*.  trans-58.6134.4159.526.9-30.7000107.3T84P82-T84 CarbonylContact O-C 3.52Å; P82-T84 PolarHBondContact O-N 3.42Å
83E58.7Low72.3Confident144 Ų14482.4 Ų82.467%0.67347%0.473SS*.SBendtrans-52.5-21.6-178.6-69.9-162167.200112.6N81 N93 V94N81-E83 PolarHBondContact O-N 2.82Å; E83-N93 CarbonylContact O-C 3.57Å; E83-N93 VanDerWaalsContact O-CA 3.22Å; E83-N93 WeakPolarHBondContact O-CA 3.43Å; E83-V94 PolarHBondContact O-N 2.97Å
84T55.3Low71.7Confident81 Ų8180.6 Ų80.650%0.49746%0.464SS..EExtended strand (participates in β ladder)trans-120.6114.4175.3-41.90000109.5P82 A91 V92P82-T84 CarbonylContact O-C 3.52Å; P82-T84 PolarHBondContact O-N 3.42Å; T84-A91 HydrophobicContact CG2-CB 3.46Å; T84-A91 VanDerWaalsContact CG2-CB 3.46Å; T84-V92 WeakPolarHBondContact CA-O 3.5Å
85T58.7Low71.4Confident59 Ų5984.9 Ų84.936%0.36248%0.48SS..EExtended strand (participates in β ladder)trans-112.3133.9170.9-54.30000108.4F87 V92T85-F87 PolarHBondContact O-N 3.31Å; T85-V92 PolarHBondContact N-O 3.46Å; T85-V92 PolarHBondContact O-N 3.11Å
86E54.6Low71.2Confident164 Ų16484.3 Ų84.377%0.76648%0.478SS*.EExtended strand (participates in β ladder)trans-75.8109.7174.8-69.3-175.1173.600109.3N90E86-N90 WeakPolarHBondContact CA-O 3.49Å
87F57.2Low71.1Confident141 Ų14185.4 Ų85.462%0.61848%0.477SS*.EExtended strand (participates in β ladder)trans-111.5118.8170.6-168.3-98.6000108.5T85 G89 N90 V92T85-F87 PolarHBondContact O-N 3.31Å; F87-G89 PolarHBondContact O-N 3.45Å; F87-N90 PolarHBondContact N-O 3.5Å; F87-N90 PolarHBondContact O-N 3.32Å; F87-V92 HydrophobicContact CB-CG2 3.75Å
88L57.1Low71.2Confident161 Ų16181.6 Ų81.684%0.84346%0.461SS*.THydrogen-bonded Turntrans5432.6-177.4-67.5164.3000114.2N90L88-N90 VanDerWaalsContact C-N 3.29Å; L88-N90 PolarHBondContact O-N 3.42Å
89G55.9Low71.3Confident64 Ų6481 Ų8166%0.6646%0.456SS*.THydrogen-bonded Turntrans82.8-0.3179.300000115F87F87-G89 PolarHBondContact O-N 3.45Å
90N61.6Low71.5Confident100 Ų10085.9 Ų85.954%0.53548%0.475SS..EExtended strand (participates in β ladder)trans-104.4136.4172.6-72.811.5000110.2E86 F87 L88 V92E86-N90 WeakPolarHBondContact CA-O 3.49Å; F87-N90 PolarHBondContact N-O 3.5Å; F87-N90 PolarHBondContact O-N 3.32Å; L88-N90 VanDerWaalsContact C-N 3.29Å; L88-N90 PolarHBondContact O-N 3.42Å; N90-V92 PolarHBondContact O-N 3.48Å
91A61.2Low72.1Confident76 Ų7686.5 Ų86.563%0.62847%0.468SS*.EExtended strand (participates in β ladder)trans-64.9110.5169.800000109.4T84T84-A91 HydrophobicContact CG2-CB 3.46Å; T84-A91 VanDerWaalsContact CG2-CB 3.46Å
92V70.2Confident73.4Confident18 Ų1888.1 Ų88.111%0.10948%0.477CS..EExtended strand (participates in β ladder)trans-99.2123173179.80000108E58 T84 T85 F87 N90 V94E58-V92 HydrophobicContact CB-CG1 4.12Å; T84-V92 WeakPolarHBondContact CA-O 3.5Å; T85-V92 PolarHBondContact N-O 3.46Å; T85-V92 PolarHBondContact O-N 3.11Å; F87-V92 HydrophobicContact CB-CG2 3.75Å; N90-V92 PolarHBondContact O-N 3.48Å; V92-V94 HydrophobicContact CG1-CG2 4.05Å; V92-V94 PolarHBondContact O-N 2.78Å
93N74.4Confident75Confident66 Ų6686.6 Ų86.635%0.35346%0.464SS..EExtended strand (participates in β ladder)trans-75.6118.4171.2-170-77.5000108.5E83 K95E83-N93 CarbonylContact O-C 3.57Å; E83-N93 VanDerWaalsContact O-CA 3.22Å; E83-N93 WeakPolarHBondContact O-CA 3.43Å; N93-K95 WeakPolarHBondContact OD1-CG 3.21Å
94V82.5Confident76.7Confident10 Ų1081.6 Ų81.66%0.06145%0.445CS..EExtended strand (participates in β ladder)trans-114.8110.7178.8-175.60000108.4Q56 E57 E58 E83 V92Q56-V94 HydrophobicContact CB-CG1 4.48Å; E57-V94 WeakPolarHBondContact O-CA 3.11Å; E58-V94 HydrophobicContact CG-CG1 4.18Å; E58-V94 HydrophobicContact CG-CG2 4.1Å; E83-V94 PolarHBondContact O-N 2.97Å; V92-V94 HydrophobicContact CG1-CG2 4.05Å; V92-V94 PolarHBondContact O-N 2.78Å
95K87.6Confident78.5Confident111 Ų11178 Ų7848%0.48342%0.422SS..EExtended strand (participates in β ladder)trans-93.4126.3172.8-57.9-174.1176.7-179.20109.5Q56 E57 N93 F97Q56-K95 CarbonylContact C-O 3.58Å; Q56-K95 VanDerWaalsContact CA-O 3.3Å; Q56-K95 WeakPolarHBondContact CA-O 3.17Å; E57-K95 PolarHBondContact N-O 3.43Å; E57-K95 PolarHBondContact O-N 3.04Å; N93-K95 WeakPolarHBondContact OD1-CG 3.21Å; K95-F97 HydrophobicContact CB-CE2 3.63Å; K95-F97 HydrophobicContact CB-CZ 4.34Å
96T90.8Very high79.9Confident37 Ų3778 Ų7823%0.22743%0.429CS..EExtended strand (participates in β ladder)trans-116130.5-179.2-570000110.3V54 T55 Q56 P79 N81V54-T96 HydrophobicContact CG1-CG2 3.95Å; T55-T96 CarbonylContact O-C 3.47Å; T55-T96 WeakPolarHBondContact O-CA 3.5Å; Q56-T96 HydrophobicContact CG-CG2 4.21Å; P79-T96 HydrophobicContact CG-CG2 3.99Å; N81-T96 PolarHBondContact ND2-OG1 3.44Å
97F92.4Very high80.6Confident87 Ų8773.6 Ų73.638%0.38242%0.42SS..EExtended strand (participates in β ladder)trans-125.5138.6175.2-61.4-92.9000109.2V54 T55 K95 L109V54-F97 CarbonylContact C-O 3.58Å; V54-F97 VanDerWaalsContact CA-O 3.31Å; V54-F97 WeakPolarHBondContact CA-O 3.4Å; T55-F97 PolarHBondContact N-O 2.72Å; T55-F97 PolarHBondContact O-N 2.86Å; K95-F97 HydrophobicContact CB-CE2 3.63Å; K95-F97 HydrophobicContact CB-CZ 4.34Å; F97-L109 HydrophobicContact CD1-CD2 3.59Å; F97-L109 HydrophobicContact CD2-CD1 3.45Å; F97-L109 VanDerWaalsContact CD2-CD1 3.45Å; F97-L109 HydrophobicContact CD2-CD2 3.88Å; F97-L109 HydrophobicContact CD2-CG 4.13Å; F97-L109 HydrophobicContact CE1-CD1 4.17Å; F97-L109 HydrophobicContact CE1-CD2 3.42Å; F97-L109 VanDerWaalsContact CE1-CD2 3.42Å; F97-L109 HydrophobicContact CE1-CG 4.41Å; F97-L109 HydrophobicContact CE2-CD1 2.93Å; F97-L109 HydrophobicContact CE2-CD2 3.76Å; F97-L109 HydrophobicContact CE2-CG 3.9Å; F97-L109 HydrophobicContact CG-CD1 4.27Å; F97-L109 HydrophobicContact CG-CD2 3.82Å; F97-L109 HydrophobicContact CZ-CD1 3.35Å; F97-L109 HydrophobicContact CZ-CD2 3.51Å; F97-L109 HydrophobicContact CZ-CG 4.02Å
98C94.1Very high80.7Confident40 Ų4068.9 Ų68.927%0.2740%0.403SS..EExtended strand (participates in β ladder)trans-133.8138-178.2-550000109.9F52 C53 C78F52-C98 HydrophobicContact CB-CB 4.47Å; F52-C98 HydrophobicContact CD1-CB 3.9Å; C53-C98 WeakPolarHBondContact O-CA 3.22Å; C78-C98 WeakPolarHBondContact CA-SG 3.37Å; C78-C98 HydrophobicContact CB-CB 3.54Å; C78-C98 WeakPolarHBondContact CB-SG 3.3Å; C78-C98 WeakPolarHBondContact SG-CB 3.15Å; C78-C98 CovalentContact SG-SG 2.02Å; C78-C98 PolarHBondContact SG-SG 3.34Å
99C94.2Very high80.3Confident39 Ų3964.6 Ų64.626%0.26438%0.38SS..EExtended strand (participates in β ladder)trans-146.2166.6175.955.50000110.1F52 C53 C104F52-C99 WeakPolarHBondContact CA-O 3Å; C53-C99 PolarHBondContact N-O 3.17Å; C53-C99 PolarHBondContact O-N 3.42Å; C99-C104 HydrophobicContact CB-CB 3.78Å; C99-C104 WeakPolarHBondContact CB-SG 3.45Å; C99-C104 WeakPolarHBondContact SG-CB 3.42Å; C99-C104 CovalentContact SG-SG 2.01Å; C99-C104 PolarHBondContact SG-SG 2.91Å
100K92.3Very high79.6Confident129 Ų12967 Ų6756%0.56138%0.382SS*.  trans-128.922.7-170.2-64.4-167.6173.1-160.90113.7F52F52-K100 HydrophobicContact CD1-CD 4.37Å; F52-K100 HydrophobicContact CD1-CG 3.74Å; F52-K100 HydrophobicContact CE1-CD 4.07Å; F52-K100 HydrophobicContact CE1-CG 3.9Å; F52-K100 HydrophobicContact CG-CG 4.4Å; F52-K100 HydrophobicContact CZ-CD 4.42Å
101E90.9Very high78.6Confident151 Ų15171.9 Ų71.971%0.70640%0.402SS*.SBendtrans-114.3152.9177-68.3174.4-172.700109L27 L103 C104L27-E101 VanDerWaalsContact CD1-C 3.46Å; E101-L103 PolarHBondContact O-N 3.04Å; E101-C104 HydrophobicContact CB-CB 3.95Å; E101-C104 WeakPolarHBondContact O-CB 3.47Å; E101-C104 PolarHBondContact O-N 2.97Å; E101-C104 VanDerWaalsContact O-N 3.17Å; E101-C104 PolarHBondContact O-SG 3.17Å
102D92.1Very high77.5Confident88 Ų8870.7 Ų70.747%0.47140%0.397SS..THydrogen-bonded Turntrans-57.1132.3179.4-71.1-26.9000110.8L27 E28 C104L27-D102 WeakPolarHBondContact CA-OD1 3.23Å; E28-D102 HydrophobicContact CB-CB 4.38Å; E28-D102 PolarHBondContact N-OD1 3.42Å; E28-D102 CarbonylContact O-C 3.55Å; E28-D102 WeakPolarHBondContact O-CA 3.42Å; D102-C104 PolarHBondContact O-N 3.47Å
103L93.4Very high76.1Confident53 Ų5374.8 Ų74.828%0.27743%0.427SS..THydrogen-bonded Turntrans57.616.8176.4-53.6-178.3000113.6E28 Y30 T43 E101 N105 A106E28-L103 HydrophobicContact CB-CD2 4.09Å; E28-L103 HydrophobicContact CB-CG 4.5Å; E28-L103 HydrophobicContact CG-CD2 3.7Å; E28-L103 HydrophobicContact CG-CG 4.49Å; E28-L103 PolarHBondContact O-N 3.22Å; Y30-L103 HydrophobicContact CD2-CB 4.37Å; Y30-L103 HydrophobicContact CD2-CD2 4.34Å; Y30-L103 HydrophobicContact CE2-CB 3.78Å; Y30-L103 HydrophobicContact CE2-CD2 4.1Å; Y30-L103 HydrophobicContact CE2-CG 4.43Å; T43-L103 HydrophobicContact CG2-CD2 3.48Å; T43-L103 VanDerWaalsContact CG2-CD2 3.48Å; E101-L103 PolarHBondContact O-N 3.04Å; L103-N105 PolarHBondContact O-N 2.89Å; L103-A106 WeakPolarHBondContact O-CB 3.39Å; L103-A106 PolarHBondContact O-N 2.97Å
104C93.5Very high74.9Confident39 Ų3977.8 Ų77.826%0.26445%0.448SS..G310 helixtrans-63.6-18.3-17565.40000113.7C53 C99 E101 D102 A106C53-C104 VanDerWaalsContact CB-SG 3.58Å; C99-C104 HydrophobicContact CB-CB 3.78Å; C99-C104 WeakPolarHBondContact CB-SG 3.45Å; C99-C104 WeakPolarHBondContact SG-CB 3.42Å; C99-C104 CovalentContact SG-SG 2.01Å; C99-C104 PolarHBondContact SG-SG 2.91Å; E101-C104 HydrophobicContact CB-CB 3.95Å; E101-C104 WeakPolarHBondContact O-CB 3.47Å; E101-C104 PolarHBondContact O-N 2.97Å; E101-C104 VanDerWaalsContact O-N 3.17Å; E101-C104 PolarHBondContact O-SG 3.17Å; D102-C104 PolarHBondContact O-N 3.47Å; C104-A106 VanDerWaalsContact C-N 3.27Å; C104-A106 PolarHBondContact O-N 3.07Å
105N93.7Very high73.5Confident5 Ų588.6 Ų88.63%0.02749%0.487CS..G310 helixtrans-88.921.5175.871.5-22.8000113.8Y30 C53 T55 N72 L103 A107Y30-N105 WeakPolarHBondContact CB-OD1 3.24Å; Y30-N105 WeakPolarHBondContact CD2-OD1 2.94Å; Y30-N105 PolarHBondContact N-OD1 3.47Å; Y30-N105 PolarHBondContact O-ND2 3.44Å; C53-N105 HydrophobicContact CB-CB 3.77Å; T55-N105 WeakPolarHBondContact OG1-CB 3.38Å; N72-N105 PolarHBondContact ND2-O 3.39Å; L103-N105 PolarHBondContact O-N 2.89Å; N105-A107 VanDerWaalsContact C-N 3.28Å; N105-A107 PolarHBondContact O-N 3.49Å
106A88.2Confident71.8Confident60 Ų6088.6 Ų88.650%0.49650%0.497SS..G310 helixtrans-61.9-33.1175.700000113.6Y30 L103 C104Y30-A106 HydrophobicContact CD2-CB 4Å; Y30-A106 HydrophobicContact CE2-CB 3.42Å; Y30-A106 VanDerWaalsContact CE2-CB 3.42Å; L103-A106 WeakPolarHBondContact O-CB 3.39Å; L103-A106 PolarHBondContact O-N 2.97Å; C104-A106 VanDerWaalsContact C-N 3.27Å; C104-A106 PolarHBondContact O-N 3.07Å
107A70.1Confident69.9Low70 Ų7093.8 Ų93.858%0.57952%0.52SS*.  trans-83.4127.3-167.500000112N105N105-A107 VanDerWaalsContact C-N 3.28Å; N105-A107 PolarHBondContact O-N 3.49Å
108V57.6Low68.1Low43 Ų4393 Ų9326%0.26153%0.53SS..  trans-59.7137.1145.4176.20000105.7T110V108-T110 PolarHBondContact O-N 3.45Å
109L48.6Very low66.1Low70 Ų7093 Ų9337%0.36654%0.537SS..  trans-68.965.5179-60148.1000110.7E57 F97 E111E57-L109 HydrophobicContact CG-CD1 4.42Å; E57-L109 WeakPolarHBondContact OE1-CD1 3.37Å; F97-L109 HydrophobicContact CD1-CD2 3.59Å; F97-L109 HydrophobicContact CD2-CD1 3.45Å; F97-L109 VanDerWaalsContact CD2-CD1 3.45Å; F97-L109 HydrophobicContact CD2-CD2 3.88Å; F97-L109 HydrophobicContact CD2-CG 4.13Å; F97-L109 HydrophobicContact CE1-CD1 4.17Å; F97-L109 HydrophobicContact CE1-CD2 3.42Å; F97-L109 VanDerWaalsContact CE1-CD2 3.42Å; F97-L109 HydrophobicContact CE1-CG 4.41Å; F97-L109 HydrophobicContact CE2-CD1 2.93Å; F97-L109 HydrophobicContact CE2-CD2 3.76Å; F97-L109 HydrophobicContact CE2-CG 3.9Å; F97-L109 HydrophobicContact CG-CD1 4.27Å; F97-L109 HydrophobicContact CG-CD2 3.82Å; F97-L109 HydrophobicContact CZ-CD1 3.35Å; F97-L109 HydrophobicContact CZ-CD2 3.51Å; F97-L109 HydrophobicContact CZ-CG 4.02Å; L109-E111 PolarHBondContact O-N 3.2Å
110T42.5Very low64.3Low116 Ų11695.6 Ų95.671%0.71255%0.551SS**  trans-78.689.8159.3-40.10000104.5V108 G112V108-T110 PolarHBondContact O-N 3.45Å; T110-G112 VanDerWaalsContact C-N 3.33Å; T110-G112 WeakPolarHBondContact O-CA 3.48Å; T110-G112 PolarHBondContact O-N 2.85Å
111E40.9Very low62.7Low201 Ų20195 Ų9594%0.93955%0.553SS**SBendtrans-36.794.3167.6-161.4178.3-177.300109.9L109L109-E111 PolarHBondContact O-N 3.2Å
112G37Very low61.2Low52 Ų5294 Ų9454%0.53655%0.552SS.*  trans175.968.3-159.700000111.2T110 T114T110-G112 VanDerWaalsContact C-N 3.33Å; T110-G112 WeakPolarHBondContact O-CA 3.48Å; T110-G112 PolarHBondContact O-N 2.85Å; G112-T114 PolarHBondContact O-N 2.87Å
113S41.6Very low59.5Low104 Ų10498 Ų9873%0.72757%0.565SS**  trans-40.795.4170160.90000112.5W115S113-W115 VanDerWaalsContact C-N 3.27Å; S113-W115 PolarHBondContact O-N 3.35Å
114T48.6Very low57.9Low129 Ų12999.1 Ų99.179%0.79158%0.578SS**  trans-93.643167.249.40000111G112 T116G112-T114 PolarHBondContact O-N 2.87Å; T114-T116 VanDerWaalsContact C-N 3.3Å; T114-T116 PolarHBondContact O-N 3.43Å
115W53.8Low56.1Low237 Ų237102.5 Ų102.590%0.89859%0.592SS**  trans-849.5173-88-2.4000115S113S113-W115 VanDerWaalsContact C-N 3.27Å; S113-W115 PolarHBondContact O-N 3.35Å
116T50.9Low54.5Low111 Ų111104.3 Ų104.368%0.68161%0.612SS**  trans-89.5-1.7-173.429.90000116.8T114T114-T116 VanDerWaalsContact C-N 3.3Å; T114-T116 PolarHBondContact O-N 3.43Å
117M51.5Low53.1Low145 Ų145105.2 Ų105.271%0.71462%0.615SS**SBendtrans-88-20.2-177.1-65.1-63.3-70.300115G119M117-G119 VanDerWaalsContact C-N 3.34Å; M117-G119 PolarHBondContact O-N 2.86Å
118A54.4Low52.6Low72 Ų72106.2 Ų106.260%0.59561%0.613SS**Hα-helixtrans-70.4-30-179.400000112.9V120A118-V120 PolarHBondContact O-N 3.08Å
119G51.9Low52.5Low40 Ų40110.6 Ų110.641%0.41263%0.631SS.*Hα-helixtrans-68.7-33-17900000114.1M117 F123M117-G119 VanDerWaalsContact C-N 3.34Å; M117-G119 PolarHBondContact O-N 2.86Å; G119-F123 WeakPolarHBondContact O-CD2 3.48Å
120V57.1Low52.9Low92 Ų92113.7 Ų113.756%0.55865%0.647SS**Hα-helixtrans-74.5-32.2-173.1-178.10000112A118 S124A118-V120 PolarHBondContact O-N 3.08Å; V120-S124 PolarHBondContact O-OG 3.25Å
121I59.3Low53.6Low116 Ų116115.8 Ų115.860%0.59565%0.649SS**Hα-helixtrans-73.9-37.7-178.8-56.7179.1000111F123 S124I121-F123 PolarHBondContact O-N 3.06Å; I121-S124 PolarHBondContact O-N 2.67Å
122L57.9Low54.4Low132 Ų132111.8 Ų111.869%0.69164%0.638SS**Hα-helixtrans-67-35.5-179.1-74.9167.7000113.2S124L122-S124 VanDerWaalsContact C-N 3.32Å; L122-S124 PolarHBondContact O-N 2.86Å
123F56.8Low55.3Low171 Ų171116.8 Ų116.875%0.7565%0.652SS**Hα-helixtrans-69.6-28.7177.3-86.9-78000113.3G119 I121G119-F123 WeakPolarHBondContact O-CD2 3.48Å; I121-F123 PolarHBondContact O-N 3.06Å
124S59.4Low55.9Low77 Ų77122.4 Ų122.454%0.53867%0.672SS.*Hα-helixtrans-72.8-33-176.8-580000112.6V120 I121 L122V120-S124 PolarHBondContact O-OG 3.25Å; I121-S124 PolarHBondContact O-N 2.67Å; L122-S124 VanDerWaalsContact C-N 3.32Å; L122-S124 PolarHBondContact O-N 2.86Å
125L57.3Low56.3Low110 Ų110122.1 Ų122.158%0.57667%0.667SS**Hα-helixtrans-78.7-28.7-180-73.3159.9000113S127L125-S127 PolarHBondContact O-N 2.78Å
126G58.9Low56.4Low42 Ų42116.1 Ų116.143%0.43365%0.654SS.*Hα-helixtrans-66.1-35.1176.500000113.4L130G126-L130 PolarHBondContact O-N 2.8Å
127S59Low56.7Low79 Ų79116.3 Ų116.355%0.55265%0.653SS**Hα-helixtrans-72.1-31.2-179.2-64.90000113.7L125L125-S127 PolarHBondContact O-N 2.78Å
128V59.4Low57Low91 Ų91114.6 Ų114.655%0.55265%0.649SS**Hα-helixtrans-74-37.4178.9-177.30000111.1Q131 T132V128-Q131 PolarHBondContact O-N 2.88Å; V128-T132 PolarHBondContact O-OG1 3.11Å
129H56.4Low57.2Low136 Ų136117.3 Ų117.363%0.6365%0.653SS**Hα-helixtrans-69.8-33.1179.3-92.1-75.5000113.5T132H129-T132 PolarHBondContact O-N 3.23Å
130L56.6Low57.5Low135 Ų135122.5 Ų122.571%0.70767%0.669SS**Hα-helixtrans-70.4-32177.9-116.578.4000113.1G126 T132 L133G126-L130 PolarHBondContact O-N 2.8Å; L130-T132 PolarHBondContact O-N 2.85Å; L130-L133 PolarHBondContact O-N 3.48Å
131Q57.8Low57.5Low160 Ų160124.6 Ų124.675%0.74868%0.677SS**Hα-helixtrans-71.2-14.2178.8-75.3-178.8-9.700113.8V128V128-Q131 PolarHBondContact O-N 2.88Å
132T57.4Low57.4Low116 Ų116125.3 Ų125.371%0.71268%0.683SS**THydrogen-bonded Turntrans-93-8.7178.4-41.10000112.5V128 H129 L130V128-T132 PolarHBondContact O-OG1 3.11Å; H129-T132 PolarHBondContact O-N 3.23Å; L130-T132 PolarHBondContact O-N 2.85Å
133L56.4Low57.4Low158 Ų158124.8 Ų124.883%0.82768%0.682SS**  trans-109.3-0.2-176.7-87157.4000114.1L130L130-L133 PolarHBondContact O-N 3.48Å
134L53Low57.4Low222 Ų222120.5 Ų120.5100%1.16268%0.676SS**  trans-107.20172.5-154.796.4000110.2

Retrieved 134 of 134 residues in 220.1 ms (Link to these results)