A0A087XRW0_POEFO Loading...

Transmembrane protein 151A

AlphaFold DB , UniProt , Accession A0A087XRW0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 539 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
1Q82.4Confident80.6Confident149 Ų14974.6 Ų74.670%0.69642%0.415SS*.  0138.40-62.4179.38.900109.8E188 L190Q1-E188 CarbonylContact C-O 3.55Å; Q1-E188 WeakPolarHBondContact CA-O 3.46Å; Q1-L190 HydrophobicContact CB-CD1 4.19Å; Q1-L190 HydrophobicContact CG-CD1 3.87Å
2Q86Confident79.7Confident33 Ų3368.4 Ų68.415%0.15438%0.38CS..BIsolated β-bridgetrans-131.8133.8178.4-176.6159.62000109.5K187 E188 L190 V293 H294Q2-K187 HydrophobicContact CB-CB 3.99Å; Q2-K187 HydrophobicContact CB-CD 4.41Å; Q2-E188 PolarHBondContact N-O 3.48Å; Q2-L190 PolarHBondContact O-N 3.42Å; Q2-V293 HydrophobicContact CG-CG1 4.23Å; Q2-H294 PolarHBondContact NE2-O 3.44Å
3K88.5Confident78.8Confident97 Ų9769 Ų6942%0.42238%0.381SS..  trans-129.7149.9-172.4-61.6-172-179.7-149.80111.5D191K3-D191 WeakPolarHBondContact CD-OD2 3.29Å; K3-D191 VanDerWaalsContact CE-OD2 3.24Å; K3-D191 WeakPolarHBondContact CE-OD2 3.34Å; K3-D191 IonicContact NZ-OD2 2.78Å; K3-D191 PolarHBondContact NZ-OD2 2.89Å
4P88.8Confident77.6Confident13 Ų1370.6 Ų70.68%0.08440%0.398CS..  trans-60.7134.7170.721.4-29.2000111.9L190 D191 H195 V198 A291 V293P4-L190 WeakPolarHBondContact CD-O 3.43Å; P4-D191 VanDerWaalsContact CG-O 3.29Å; P4-D191 WeakPolarHBondContact CG-O 3.28Å; P4-H195 WeakPolarHBondContact CG-CD2 3.38Å; P4-V198 HydrophobicContact CB-CG1 4.33Å; P4-A291 HydrophobicContact CB-CB 3.72Å; P4-V293 HydrophobicContact CB-CG2 3.56Å; P4-V293 HydrophobicContact CG-CG2 4.37Å
5T85.1Confident77Confident92 Ų9271.1 Ų71.156%0.56439%0.391SS*.BIsolated β-bridgetrans-113.2129.4174.257.60000109.7Y292T5-Y292 PolarHBondContact N-O 2.88Å; T5-Y292 PolarHBondContact O-N 3.21Å; T5-Y292 PolarHBondContact OG1-O 2.95Å
6Q83.2Confident75.8Confident97 Ų9776.4 Ų76.445%0.45341%0.412SS..PPolyproline II helixtrans-83.7142.4170.8-75.7-174-20.300109.9H195 A291Q6-H195 PolarHBondContact NE2-ND1 3.08Å; Q6-A291 HydrophobicContact CG-CB 3.99Å
7Q78.8Confident74.9Confident50 Ų5074.6 Ų74.623%0.23441%0.407CS..PPolyproline II helixtrans-84.4149.6175.8-61.8-170.90.800110.4Y292Q7-Y292 HydrophobicContact CG-CD2 3.94Å; Q7-Y292 HydrophobicContact CG-CE2 4.25Å
8S80.1Confident74.8Confident73 Ų7371.1 Ų71.151%0.5139%0.388SS..PPolyproline II helixtrans-70.1151.4170.565.40000110.6A10 S11 S12S8-A10 PolarHBondContact O-N 3.46Å; S8-S11 WeakPolarHBondContact O-CB 3.27Å; S8-S11 PolarHBondContact O-N 2.71Å; S8-S11 WeakPolarHBondContact OG-CB 3.44Å; S8-S11 PolarHBondContact OG-N 3.18Å; S8-S12 PolarHBondContact O-N 2.94Å
9L73Confident75Confident91 Ų9175.1 Ų75.148%0.47640%0.396SS..Hα-helixtrans-54.4-41.1179.1-72.6168.9000112.5S11 S12 L13 Y288L9-S11 VanDerWaalsContact C-N 3.35Å; L9-S11 PolarHBondContact O-N 3.21Å; L9-S12 PolarHBondContact O-N 3.03Å; L9-L13 WeakPolarHBondContact O-CG 3.1Å; L9-L13 PolarHBondContact O-N 3Å; L9-Y288 HydrophobicContact CD1-CE2 4.37Å; L9-Y288 HydrophobicContact CD2-CD1 3.76Å; L9-Y288 HydrophobicContact CD2-CD2 3.28Å; L9-Y288 HydrophobicContact CD2-CE1 4.08Å; L9-Y288 HydrophobicContact CD2-CE2 3.64Å; L9-Y288 HydrophobicContact CD2-CG 3.34Å; L9-Y288 HydrophobicContact CG-CD2 3.68Å; L9-Y288 HydrophobicContact CG-CE2 3.61Å; L9-Y288 HydrophobicContact CG-CG 4.24Å
10A70.4Confident75.5Confident66 Ų6677.4 Ų77.455%0.54540%0.403SS..Hα-helixtrans-65.5-36.7177.400000112.5S8 C14S8-A10 PolarHBondContact O-N 3.46Å; A10-C14 PolarHBondContact O-N 3.28Å; A10-C14 PolarHBondContact O-SG 3.36Å; A10-C14 VanDerWaalsContact O-SG 3.32Å
11S70.5Confident76Confident60 Ų6073.8 Ų73.842%0.4238%0.384SS..Hα-helixtrans-69.1-36.5176.1-171.20000112S8 L9S8-S11 WeakPolarHBondContact O-CB 3.27Å; S8-S11 PolarHBondContact O-N 2.71Å; S8-S11 WeakPolarHBondContact OG-CB 3.44Å; S8-S11 PolarHBondContact OG-N 3.18Å; L9-S11 VanDerWaalsContact C-N 3.35Å; L9-S11 PolarHBondContact O-N 3.21Å
12S70.1Confident76.3Confident0 Ų068.5 Ų68.50%036%0.361CS..Hα-helixtrans-66.5-42.6176.2178.30000111.9S8 L9 C14 H18 E287S8-S12 PolarHBondContact O-N 2.94Å; L9-S12 PolarHBondContact O-N 3.03Å; S12-C14 VanDerWaalsContact C-N 3.33Å; S12-C14 PolarHBondContact O-N 3.1Å; S12-H18 PolarHBondContact O-CD2 2.73Å; S12-H18 VanDerWaalsContact O-CD2 3.23Å; S12-E287 VanDerWaalsContact OG-CB 3.26Å; S12-E287 WeakPolarHBondContact OG-CB 3.43Å
13L68.1Low76.5Confident76 Ų7671.9 Ų71.940%0.39838%0.379SS..Hα-helixtrans-64.2-33.1177.5-78.5158.6000113.4L9 R15 W19 W280 V284L9-L13 WeakPolarHBondContact O-CG 3.1Å; L9-L13 PolarHBondContact O-N 3Å; L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 3.31Å; L13-W19 PolarHBondContact O-NE1 2.72Å; L13-W280 HydrophobicContact CD2-CZ3 4.48Å; L13-V284 HydrophobicContact CD2-CG1 4.18Å; L13-V284 HydrophobicContact CD2-CG2 3.82Å; L13-V284 HydrophobicContact CG-CG1 4.21Å; L13-V284 HydrophobicContact CG-CG2 4.47Å
14C61.5Low76.6Confident91 Ų9168.3 Ų68.362%0.61536%0.364SS*.THydrogen-bonded Turntrans-82.74.7-175.1-71.90000115.2A10 S12A10-C14 PolarHBondContact O-N 3.28Å; A10-C14 PolarHBondContact O-SG 3.36Å; A10-C14 VanDerWaalsContact O-SG 3.32Å; S12-C14 VanDerWaalsContact C-N 3.33Å; S12-C14 PolarHBondContact O-N 3.1Å
15R68.4Low76.7Confident78 Ų7867.7 Ų67.729%0.29436%0.361SS..SBendtrans-78.4140.9179.6-119.8172.574.6-167.4-11.2112.3L13 S17 H18 E287 Y292L13-R15 VanDerWaalsContact C-N 3.31Å; L13-R15 PolarHBondContact O-N 3.31Å; R15-S17 PolarHBondContact O-N 2.66Å; R15-H18 PolarHBondContact O-N 3.18Å; R15-E287 IonicContact CZ-OE1 2.71Å; R15-E287 IonicContact CZ-OE2 4Å; R15-E287 VanDerWaalsContact CZ-OE2 3.26Å; R15-E287 IonicContact NE-OE2 2.7Å; R15-E287 IonicContact NH1-OE1 3.37Å; R15-E287 PolarHBondContact NH1-OE1 3.48Å; R15-E287 IonicContact NH1-OE2 3.29Å; R15-E287 PolarHBondContact NH1-OE2 3.18Å; R15-E287 IonicContact NH2-OE1 3.18Å; R15-E287 PolarHBondContact NH2-OE1 3.21Å; R15-E287 IonicContact NH2-OE2 3.26Å; R15-Y292 PolarHBondContact NH1-OH 3.37Å
16E58Low77Confident156 Ų15668.1 Ų68.173%0.72936%0.359SS*.Hα-helixtrans-54.9-26.2-172.8-68.5179.7172.700114.6
17S60.1Low77.4Confident47 Ų4767.5 Ų67.533%0.32936%0.358SS..Hα-helixtrans-76.5-23.6179.251.10000114.7R15R15-S17 PolarHBondContact O-N 2.66Å
18H73.1Confident78.1Confident11 Ų1165.3 Ų65.35%0.05135%0.348CS..Hα-helixtrans-88.8-33.9-174.1-56.7-67.6000112.3S12 R15 K20 C21 L22S12-H18 PolarHBondContact O-CD2 2.73Å; S12-H18 VanDerWaalsContact O-CD2 3.23Å; R15-H18 PolarHBondContact O-N 3.18Å; H18-K20 PolarHBondContact O-N 2.77Å; H18-C21 PolarHBondContact O-N 3.39Å; H18-L22 WeakPolarHBondContact O-CB 3.37Å; H18-L22 PolarHBondContact O-N 2.6Å
19W79.6Confident78.7Confident147 Ų14766.7 Ų66.756%0.55734%0.343SS*.Hα-helixtrans-66.7-35.5-179.4-79.384.3000113.6L13 C21 L22 L23L13-W19 PolarHBondContact O-NE1 2.72Å; W19-C21 VanDerWaalsContact C-N 3.35Å; W19-C21 PolarHBondContact O-N 3.48Å; W19-L22 HydrophobicContact CD2-CD2 4.41Å; W19-L22 HydrophobicContact CE3-CD2 3.91Å; W19-L22 HydrophobicContact CZ3-CD2 4Å; W19-L22 PolarHBondContact O-N 3.01Å; W19-L23 VanDerWaalsContact O-CB 3.31Å; W19-L23 WeakPolarHBondContact O-CB 3.25Å; W19-L23 PolarHBondContact O-N 3.4Å
20K85.3Confident79.6Confident121 Ų12164 Ų6453%0.52634%0.338SS..Hα-helixtrans-59.8-46.7175.2-65.2-176.2178.4-173.50111.6H18 L24H18-K20 PolarHBondContact O-N 2.77Å; K20-L24 WeakPolarHBondContact O-CG 3.34Å; K20-L24 PolarHBondContact O-N 2.73Å; K20-L24 VanDerWaalsContact O-N 3.12Å
21C85.9Confident80.6Confident1 Ų161.7 Ų61.71%0.00732%0.317CS..Hα-helixtrans-70-42.5-179.9-170.50000111.6H18 W19 L23 L24 T25 S279 W280H18-C21 PolarHBondContact O-N 3.39Å; W19-C21 VanDerWaalsContact C-N 3.35Å; W19-C21 PolarHBondContact O-N 3.48Å; C21-L23 PolarHBondContact O-N 3.28Å; C21-L24 PolarHBondContact O-N 3.01Å; C21-T25 WeakPolarHBondContact O-CG2 3.3Å; C21-T25 PolarHBondContact O-N 2.92Å; C21-T25 PolarHBondContact O-OG1 3.44Å; C21-S279 PolarHBondContact SG-OG 2.81Å; C21-W280 HydrophobicContact CB-CB 4.34Å
22L88.2Confident81.6Confident39 Ų3963 Ų6320%0.20432%0.315CS..Hα-helixtrans-55.4-50.6173.1-176.382.8000111.2H18 W19 L24 T25 L26 W280H18-L22 WeakPolarHBondContact O-CB 3.37Å; H18-L22 PolarHBondContact O-N 2.6Å; W19-L22 HydrophobicContact CD2-CD2 4.41Å; W19-L22 HydrophobicContact CE3-CD2 3.91Å; W19-L22 HydrophobicContact CZ3-CD2 4Å; W19-L22 PolarHBondContact O-N 3.01Å; L22-L24 PolarHBondContact O-N 3.35Å; L22-T25 WeakPolarHBondContact CA-OG1 3.41Å; L22-T25 PolarHBondContact O-N 2.86Å; L22-T25 PolarHBondContact O-OG1 3.08Å; L22-L26 HydrophobicContact CD2-CD1 4.42Å; L22-L26 HydrophobicContact CG-CD1 4.12Å; L22-L26 WeakPolarHBondContact O-CG 3.31Å; L22-L26 PolarHBondContact O-N 3.02Å; L22-W280 HydrophobicContact CD1-CD2 3.75Å; L22-W280 HydrophobicContact CD1-CE3 4Å; L22-W280 HydrophobicContact CD1-CG 4.22Å; L22-W280 HydrophobicContact CD1-CH2 4.45Å; L22-W280 HydrophobicContact CD1-CZ2 4.23Å; L22-W280 HydrophobicContact CD1-CZ3 4.34Å
23L89.6Confident82.6Confident103 Ų10366 Ų6654%0.53934%0.34SS..Hα-helixtrans-59.4-45.8-179.8-178.964.7000111.8W19 C21 T25 L26 L27W19-L23 VanDerWaalsContact O-CB 3.31Å; W19-L23 WeakPolarHBondContact O-CB 3.25Å; W19-L23 PolarHBondContact O-N 3.4Å; C21-L23 PolarHBondContact O-N 3.28Å; L23-T25 VanDerWaalsContact C-N 3.34Å; L23-T25 PolarHBondContact O-N 2.93Å; L23-L26 PolarHBondContact O-N 3.28Å; L23-L27 HydrophobicContact CD1-CD1 4.48Å; L23-L27 HydrophobicContact CG-CD1 4.16Å; L23-L27 WeakPolarHBondContact O-CG 3.2Å; L23-L27 PolarHBondContact O-N 3.3Å
24L90.5Very high83.5Confident22 Ų2265.5 Ų65.512%0.11534%0.34CS..Hα-helixtrans-59.5-44.6175.8-73.3168.9000111.5K20 C21 L22 L26 L27 M28 L91 V94 Y95 E98K20-L24 WeakPolarHBondContact O-CG 3.34Å; K20-L24 PolarHBondContact O-N 2.73Å; K20-L24 VanDerWaalsContact O-N 3.12Å; C21-L24 PolarHBondContact O-N 3.01Å; L22-L24 PolarHBondContact O-N 3.35Å; L24-L26 PolarHBondContact O-N 3.17Å; L24-L27 PolarHBondContact O-N 3.12Å; L24-M28 VanDerWaalsContact O-CG 3.3Å; L24-M28 WeakPolarHBondContact O-CG 3.47Å; L24-M28 PolarHBondContact O-N 2.78Å; L24-L91 HydrophobicContact CD2-CD2 4.1Å; L24-V94 HydrophobicContact CD1-CG1 4.17Å; L24-V94 HydrophobicContact CD2-CG1 4.04Å; L24-Y95 HydrophobicContact CB-CD2 4.36Å; L24-E98 HydrophobicContact CD1-CB 4.38Å; L24-E98 HydrophobicContact CD1-CG 4.05Å
25T91.1Very high84.7Confident1 Ų162.8 Ų62.81%0.00632%0.319CS..Hα-helixtrans-65.1-38.2177.656.20000112.9C21 L22 L23 M28 Y29 Y95 L277C21-T25 WeakPolarHBondContact O-CG2 3.3Å; C21-T25 PolarHBondContact O-N 2.92Å; C21-T25 PolarHBondContact O-OG1 3.44Å; L22-T25 WeakPolarHBondContact CA-OG1 3.41Å; L22-T25 PolarHBondContact O-N 2.86Å; L22-T25 PolarHBondContact O-OG1 3.08Å; L23-T25 VanDerWaalsContact C-N 3.34Å; L23-T25 PolarHBondContact O-N 2.93Å; T25-M28 PolarHBondContact O-N 2.85Å; T25-Y29 WeakPolarHBondContact O-CD2 3.37Å; T25-Y29 PolarHBondContact O-N 3.1Å; T25-Y95 HydrophobicContact CG2-CD2 4.15Å; T25-Y95 HydrophobicContact CG2-CE2 3.69Å; T25-L277 HydrophobicContact CG2-CB 4.16Å
26L91.5Very high85.6Confident100 Ų10061.3 Ų61.352%0.52432%0.323SS..Hα-helixtrans-65.8-42175.8-70.9173000112L22 L23 L24 M28 Y29 G30L22-L26 HydrophobicContact CD2-CD1 4.42Å; L22-L26 HydrophobicContact CG-CD1 4.12Å; L22-L26 WeakPolarHBondContact O-CG 3.31Å; L22-L26 PolarHBondContact O-N 3.02Å; L23-L26 PolarHBondContact O-N 3.28Å; L24-L26 PolarHBondContact O-N 3.17Å; L26-M28 VanDerWaalsContact C-N 3.33Å; L26-M28 PolarHBondContact O-N 2.9Å; L26-Y29 PolarHBondContact O-N 3.14Å; L26-G30 PolarHBondContact O-N 3.27Å
27L92.6Very high87Confident84 Ų8461.5 Ų61.544%0.4432%0.318SS..Hα-helixtrans-61.5-42.7174.8-72.8168.4000111.3L23 L24 G30 C31 L91L23-L27 HydrophobicContact CD1-CD1 4.48Å; L23-L27 HydrophobicContact CG-CD1 4.16Å; L23-L27 WeakPolarHBondContact O-CG 3.2Å; L23-L27 PolarHBondContact O-N 3.3Å; L24-L27 PolarHBondContact O-N 3.12Å; L27-G30 WeakPolarHBondContact O-CA 3.18Å; L27-G30 PolarHBondContact O-N 2.92Å; L27-G30 VanDerWaalsContact O-N 3.15Å; L27-C31 PolarHBondContact O-N 3.03Å; L27-C31 VanDerWaalsContact O-N 3.08Å; L27-L91 HydrophobicContact CB-CD1 3.93Å; L27-L91 HydrophobicContact CB-CD2 4.49Å; L27-L91 HydrophobicContact CD1-CD2 4.32Å
28M92.1Very high88.2Confident4 Ų459.9 Ų59.92%0.0231%0.306CS..Hα-helixtrans-63.5-42175-70.6-176.469.700112.3L24 T25 L26 G30 C31 F32 L88 L91 Y92 L277L24-M28 VanDerWaalsContact O-CG 3.3Å; L24-M28 WeakPolarHBondContact O-CG 3.47Å; L24-M28 PolarHBondContact O-N 2.78Å; T25-M28 PolarHBondContact O-N 2.85Å; L26-M28 VanDerWaalsContact C-N 3.33Å; L26-M28 PolarHBondContact O-N 2.9Å; M28-G30 VanDerWaalsContact C-N 3.25Å; M28-G30 PolarHBondContact O-N 2.98Å; M28-C31 WeakPolarHBondContact O-CB 3.47Å; M28-C31 PolarHBondContact O-N 3.23Å; M28-C31 VanDerWaalsContact O-N 3.08Å; M28-F32 HydrophobicContact CB-CE2 4.41Å; M28-F32 HydrophobicContact CE-CE2 4.45Å; M28-F32 WeakPolarHBondContact O-CD2 3.27Å; M28-F32 PolarHBondContact O-N 3.35Å; M28-L88 HydrophobicContact CB-CD1 4.03Å; M28-L88 HydrophobicContact CE-CD1 3.74Å; M28-L88 HydrophobicContact CG-CD1 4.18Å; M28-L91 HydrophobicContact CG-CB 3.86Å; M28-L91 HydrophobicContact CG-CD1 4.44Å; M28-Y92 HydrophobicContact CE-CD2 3.71Å; M28-Y92 HydrophobicContact CE-CG 4.14Å; M28-Y92 HydrophobicContact SD-CD2 4.38Å; M28-L277 HydrophobicContact CB-CD1 4.37Å; M28-L277 HydrophobicContact CE-CD1 3.85Å; M28-L277 HydrophobicContact CE-CD2 3.58Å; M28-L277 HydrophobicContact CE-CG 4.34Å; M28-L277 HydrophobicContact SD-CD1 4.33Å; M28-L277 HydrophobicContact SD-CD2 3.54Å; M28-L277 VanDerWaalsContact SD-CD2 3.54Å
29Y92.6Very high88.5Confident102 Ų10263.1 Ų63.140%0.434%0.335SS..Hα-helixtrans-61.6-34.2172.5-69.3-45.5000112.4T25 L26 F32 A33 L277T25-Y29 WeakPolarHBondContact O-CD2 3.37Å; T25-Y29 PolarHBondContact O-N 3.1Å; L26-Y29 PolarHBondContact O-N 3.14Å; Y29-F32 HydrophobicContact CD1-CD2 4.2Å; Y29-F32 PolarHBondContact O-N 3.23Å; Y29-A33 WeakPolarHBondContact O-CB 3.34Å; Y29-A33 PolarHBondContact O-N 3.37Å; Y29-L277 HydrophobicContact CE1-CD1 4.32Å
30G92.3Very high88.6Confident36 Ų3662.9 Ų62.937%0.37134%0.343SS..Hα-helixtrans-57.6-46.4169.100000112.3L26 L27 M28 A33 T34L26-G30 PolarHBondContact O-N 3.27Å; L27-G30 WeakPolarHBondContact O-CA 3.18Å; L27-G30 PolarHBondContact O-N 2.92Å; L27-G30 VanDerWaalsContact O-N 3.15Å; M28-G30 VanDerWaalsContact C-N 3.25Å; M28-G30 PolarHBondContact O-N 2.98Å; G30-A33 PolarHBondContact O-N 3.39Å; G30-T34 WeakPolarHBondContact O-CG2 3.41Å; G30-T34 PolarHBondContact O-N 3.16Å; G30-T34 PolarHBondContact O-OG1 3.5Å
31C90.8Very high88.2Confident16 Ų1658.6 Ų58.611%0.10833%0.328CS..Hα-helixtrans-65-38.4175.2-62.20000112.9L27 M28 A33 T34 L35 L88L27-C31 PolarHBondContact O-N 3.03Å; L27-C31 VanDerWaalsContact O-N 3.08Å; M28-C31 WeakPolarHBondContact O-CB 3.47Å; M28-C31 PolarHBondContact O-N 3.23Å; M28-C31 VanDerWaalsContact O-N 3.08Å; C31-A33 VanDerWaalsContact C-N 3.34Å; C31-T34 WeakPolarHBondContact CA-OG1 3.47Å; C31-T34 PolarHBondContact O-N 3.5Å; C31-T34 PolarHBondContact O-OG1 2.75Å; C31-L35 VanDerWaalsContact O-CG 3.27Å; C31-L35 WeakPolarHBondContact O-CG 3.49Å; C31-L35 PolarHBondContact O-N 3.17Å; C31-L88 HydrophobicContact CB-CB 4.05Å; C31-L88 HydrophobicContact CB-CD1 3.92Å
32F91.7Very high87.5Confident88 Ų8867 Ų6739%0.38636%0.36SS..Hα-helixtrans-65.8-38.2173.8-71.1-63.3000112.1M28 Y29 L35 A36 L88 L277M28-F32 HydrophobicContact CB-CE2 4.41Å; M28-F32 HydrophobicContact CE-CE2 4.45Å; M28-F32 WeakPolarHBondContact O-CD2 3.27Å; M28-F32 PolarHBondContact O-N 3.35Å; Y29-F32 HydrophobicContact CD1-CD2 4.2Å; Y29-F32 PolarHBondContact O-N 3.23Å; F32-L35 PolarHBondContact O-N 3.33Å; F32-A36 VanDerWaalsContact O-CB 3.31Å; F32-A36 WeakPolarHBondContact O-CB 3.41Å; F32-A36 PolarHBondContact O-N 3Å; F32-L88 HydrophobicContact CD1-CD2 4.25Å; F32-L88 HydrophobicContact CD2-CD1 4.18Å; F32-L88 HydrophobicContact CE1-CD1 4.2Å; F32-L88 HydrophobicContact CE1-CD2 3.63Å; F32-L88 HydrophobicContact CE2-CD1 3.7Å; F32-L88 HydrophobicContact CZ-CD1 3.72Å; F32-L88 HydrophobicContact CZ-CD2 3.83Å; F32-L88 HydrophobicContact CZ-CG 4.34Å; F32-L277 HydrophobicContact CE2-CD1 3.76Å
33A91.1Very high86.5Confident62 Ų6268.1 Ų68.151%0.51237%0.368SS..Hα-helixtrans-64.9-39.917600000111.6Y29 G30 C31 A36 W37Y29-A33 WeakPolarHBondContact O-CB 3.34Å; Y29-A33 PolarHBondContact O-N 3.37Å; G30-A33 PolarHBondContact O-N 3.39Å; C31-A33 VanDerWaalsContact C-N 3.34Å; A33-A36 PolarHBondContact O-N 2.85Å; A33-W37 VanDerWaalsContact O-CB 3.29Å; A33-W37 WeakPolarHBondContact O-CB 3.15Å; A33-W37 PolarHBondContact O-N 3.23Å
34T87.6Confident84.9Confident66 Ų6666.7 Ų66.741%0.40537%0.365SS..Hα-helixtrans-68-38.4174.958.70000112.1G30 C31 W37 C38G30-T34 WeakPolarHBondContact O-CG2 3.41Å; G30-T34 PolarHBondContact O-N 3.16Å; G30-T34 PolarHBondContact O-OG1 3.5Å; C31-T34 WeakPolarHBondContact CA-OG1 3.47Å; C31-T34 PolarHBondContact O-N 3.5Å; C31-T34 PolarHBondContact O-OG1 2.75Å; T34-W37 WeakPolarHBondContact O-CB 3.34Å; T34-W37 PolarHBondContact O-N 3.29Å; T34-C38 WeakPolarHBondContact O-CB 3.39Å; T34-C38 PolarHBondContact O-N 2.9Å; T34-C38 PolarHBondContact O-SG 3.4Å
35L87.5Confident83.3Confident35 Ų3569 Ų6918%0.18338%0.38CS..Hα-helixtrans-65.5-42.4173.5-70.4171.4000112.2C31 F32 W37 C38 A39 V81 P84 L85 L88C31-L35 VanDerWaalsContact O-CG 3.27Å; C31-L35 WeakPolarHBondContact O-CG 3.49Å; C31-L35 PolarHBondContact O-N 3.17Å; F32-L35 PolarHBondContact O-N 3.33Å; L35-W37 VanDerWaalsContact C-N 3.34Å; L35-C38 WeakPolarHBondContact O-CB 3.44Å; L35-C38 PolarHBondContact O-N 3.17Å; L35-A39 WeakPolarHBondContact O-CB 3.42Å; L35-A39 PolarHBondContact O-N 3.47Å; L35-V81 HydrophobicContact CD2-CG1 3.93Å; L35-P84 HydrophobicContact CD2-CB 4.25Å; L35-P84 HydrophobicContact CD2-CG 3.8Å; L35-P84 HydrophobicContact CG-CB 4.31Å; L35-P84 HydrophobicContact CG-CG 4.35Å; L35-L85 HydrophobicContact CD1-CD2 3.89Å; L35-L85 HydrophobicContact CD2-CD2 4.22Å; L35-L85 HydrophobicContact CD2-CG 4.08Å; L35-L88 HydrophobicContact CD1-CD2 4.22Å
36A87.6Confident81.4Confident46 Ų4675.1 Ų75.138%0.3841%0.412SS..Hα-helixtrans-63.4-41.4174.700000111.1F32 A33 A39 L40F32-A36 VanDerWaalsContact O-CB 3.31Å; F32-A36 WeakPolarHBondContact O-CB 3.41Å; F32-A36 PolarHBondContact O-N 3Å; A33-A36 PolarHBondContact O-N 2.85Å; A36-A39 PolarHBondContact O-N 3Å; A36-L40 VanDerWaalsContact O-CB 3.28Å; A36-L40 WeakPolarHBondContact O-CB 3.38Å; A36-L40 VanDerWaalsContact O-CG 3.25Å; A36-L40 WeakPolarHBondContact O-CG 3.49Å; A36-L40 PolarHBondContact O-N 3.16Å
37W87Confident79.4Confident161 Ų16172.7 Ų72.761%0.6141%0.411SS*.Hα-helixtrans-60.6-47.1172.7-179.3-94.9000111.7A33 T34 L35 A39 L40 C41A33-W37 VanDerWaalsContact O-CB 3.29Å; A33-W37 WeakPolarHBondContact O-CB 3.15Å; A33-W37 PolarHBondContact O-N 3.23Å; T34-W37 WeakPolarHBondContact O-CB 3.34Å; T34-W37 PolarHBondContact O-N 3.29Å; L35-W37 VanDerWaalsContact C-N 3.34Å; W37-A39 PolarHBondContact O-N 2.87Å; W37-L40 PolarHBondContact O-N 3.28Å; W37-C41 HydrophobicContact CD2-CB 4.09Å; W37-C41 HydrophobicContact CE3-CB 4.48Å; W37-C41 HydrophobicContact CH2-CB 4.49Å; W37-C41 VanDerWaalsContact CH2-SG 3.51Å; W37-C41 HydrophobicContact CZ2-CB 4.1Å; W37-C41 WeakPolarHBondContact CZ3-SG 3.48Å; W37-C41 VanDerWaalsContact O-CB 3.25Å; W37-C41 WeakPolarHBondContact O-CB 3.44Å; W37-C41 PolarHBondContact O-N 3.44Å
38C83.9Confident77.3Confident13 Ų1374.2 Ų74.29%0.08843%0.429CS..Hα-helixtrans-56.4-37.3174.3-71.90000112.6T34 L35 S74 C76T34-C38 WeakPolarHBondContact O-CB 3.39Å; T34-C38 PolarHBondContact O-N 2.9Å; T34-C38 PolarHBondContact O-SG 3.4Å; L35-C38 WeakPolarHBondContact O-CB 3.44Å; L35-C38 PolarHBondContact O-N 3.17Å; C38-S74 WeakPolarHBondContact O-CB 3.29Å; C38-C76 HydrophobicContact CB-CB 3.73Å; C38-C76 WeakPolarHBondContact CB-SG 3.42Å; C38-C76 WeakPolarHBondContact SG-CB 3.32Å; C38-C76 CovalentContact SG-SG 2.03Å; C38-C76 PolarHBondContact SG-SG 2.99Å
39A80.4Confident75Confident78 Ų7878.4 Ų78.465%0.64546%0.459SS*.Hα-helixtrans-82.2-34.9-176.500000113.4L35 A36 W37L35-A39 WeakPolarHBondContact O-CB 3.42Å; L35-A39 PolarHBondContact O-N 3.47Å; A36-A39 PolarHBondContact O-N 3Å; W37-A39 PolarHBondContact O-N 2.87Å
40L81.8Confident72.7Confident142 Ų14279.3 Ų79.374%0.74348%0.48SS*.Hα-helixtrans-94.8-34.1-173-65.5172.7000113A36 W37A36-L40 VanDerWaalsContact O-CB 3.28Å; A36-L40 WeakPolarHBondContact O-CB 3.38Å; A36-L40 VanDerWaalsContact O-CG 3.25Å; A36-L40 WeakPolarHBondContact O-CG 3.49Å; A36-L40 PolarHBondContact O-N 3.16Å; W37-L40 PolarHBondContact O-N 3.28Å
41C77.3Confident70.2Confident31 Ų3182 Ų8221%0.20949%0.493CS..  trans-89127.7-179.5-64.30000109.7W37 P75W37-C41 HydrophobicContact CD2-CB 4.09Å; W37-C41 HydrophobicContact CE3-CB 4.48Å; W37-C41 HydrophobicContact CH2-CB 4.49Å; W37-C41 VanDerWaalsContact CH2-SG 3.51Å; W37-C41 HydrophobicContact CZ2-CB 4.1Å; W37-C41 WeakPolarHBondContact CZ3-SG 3.48Å; W37-C41 VanDerWaalsContact O-CB 3.25Å; W37-C41 WeakPolarHBondContact O-CB 3.44Å; W37-C41 PolarHBondContact O-N 3.44Å; C41-P75 WeakPolarHBondContact O-CD 3.4Å
42R70.7Confident68Low178 Ų17889.7 Ų89.767%0.67253%0.53SS*.  trans-107.2125.8166-63.8-168.8177.3101.2-1.4107.3L72R42-L72 HydrophobicContact CB-CB 4.11Å; R42-L72 HydrophobicContact CB-CD2 3.61Å; R42-L72 HydrophobicContact CB-CG 3.74Å; R42-L72 HydrophobicContact CG-CD2 4.42Å
43V66.3Low65.6Low62 Ų6291.3 Ų91.338%0.37655%0.549SS..EExtended strand (participates in β ladder)trans-108.9132.6-179.4-178.20000107.4V45 E73 P75V43-V45 PolarHBondContact O-N 3.5Å; V43-V45 VanDerWaalsContact O-N 3.16Å; V43-E73 PolarHBondContact N-O 3.4Å; V43-E73 VanDerWaalsContact N-O 3.15Å; V43-P75 HydrophobicContact CG2-CB 4.02Å; V43-P75 HydrophobicContact CG2-CG 4.22Å
44P56.2Low63.3Low74 Ų7496.8 Ų96.848%0.48157%0.568SS.*EExtended strand (participates in β ladder)trans-63.9115.8172.322.8-29.5000109.6L70 L72P44-L70 HydrophobicContact CB-CD2 3.75Å; P44-L72 HydrophobicContact CB-CD1 4.47Å
45V57.8Low61Low69 Ų6997.2 Ų97.242%0.41859%0.586SS.*EExtended strand (participates in β ladder)trans-91.5121.7170.1-1790000107.4V43 G47 E73V43-V45 PolarHBondContact O-N 3.5Å; V43-V45 VanDerWaalsContact O-N 3.16Å; V45-G47 PolarHBondContact O-N 3.3Å; V45-G47 VanDerWaalsContact O-N 3.09Å; V45-E73 HydrophobicContact CG2-CB 4.33Å
46L51.3Low58.6Low131 Ų13199.2 Ų99.269%0.68662%0.615SS**  trans-69.4102.5168.8-76.3159.7000107.6S48L46-S48 PolarHBondContact O-N 3.5Å
47G49.8Very low56.7Low49 Ų49101.3 Ų101.351%0.50563%0.633SS.*  trans-64.6104.7175.400000109.7V45 S49V45-G47 PolarHBondContact O-N 3.3Å; V45-G47 VanDerWaalsContact O-N 3.09Å; G47-S49 PolarHBondContact O-N 3.42Å
48S46.8Very low54.6Low116 Ų116100.9 Ų100.981%0.81164%0.642SS**  trans-73.482.6164.7-68.90000108.3L46 S50L46-S48 PolarHBondContact O-N 3.5Å; S48-S50 PolarHBondContact O-N 2.79Å
49S44.2Very low52.3Low92 Ų92108.3 Ų108.364%0.64368%0.681SS**  trans-70.584.6167.556.40000109.1G47 S51G47-S49 PolarHBondContact O-N 3.42Å; S49-S51 VanDerWaalsContact C-N 3.25Å; S49-S51 PolarHBondContact O-N 3.33Å; S49-S51 VanDerWaalsContact O-N 3.09Å
50S45.6Very low50.8Low120 Ų120109 Ų10984%0.83969%0.687SS**  trans-77.378.6163.260.30000109.1S48S48-S50 PolarHBondContact O-N 2.79Å
51S39.8Very low48.9Very low93 Ų93109 Ų10965%0.6569%0.693SS**  trans-106.199.9160.658.40000108.5S49S49-S51 VanDerWaalsContact C-N 3.25Å; S49-S51 PolarHBondContact O-N 3.33Å; S49-S51 VanDerWaalsContact O-N 3.09Å
52M44.7Very low47.4Very low178 Ų178113.5 Ų113.588%0.87772%0.724SS**  trans-56.9124.6165.5-83.2-77.2-70.400109.9L54M52-L54 PolarHBondContact O-N 2.87Å
53P41.2Very low45.9Very low121 Ų121109.3 Ų109.379%0.78673%0.728SS**  trans-83.4111.9169.930.7-25.9000108.9
54L42.7Very low44.7Very low177 Ų177110.9 Ų110.993%0.92775%0.747SS**  trans-87.5106.1164.2-175.469.5000108.8M52M52-L54 PolarHBondContact O-N 2.87Å
55G38.7Very low43.9Very low76 Ų76116.6 Ų116.678%0.78476%0.761SS**SBendtrans91.7125.9149.600000117.8
56G37.1Very low43.1Very low77 Ų77123 Ų12379%0.79478%0.779SS**  trans129.491.616000000113.2
57A46.9Very low42.6Very low90 Ų90122.2 Ų122.274%0.74478%0.775SS**  trans-61.4132.9165.400000109.5
58D43.2Very low42.2Very low152 Ų152124.5 Ų124.581%0.81378%0.776SS**  173.4141.6117.4-74.5-20.2000110
59D37Very low42.2Very low169 Ų169124.3 Ų124.390%0.90477%0.765SS**  trans77.9119.1172-66.7-17.5000121.4
60A47.3Very low42.3Very low92 Ų92124.4 Ų124.476%0.7676%0.757SS**  trans-87.5117.1176.200000111.5
61T41.6Very low42.5Very low143 Ų143124.8 Ų124.888%0.87775%0.746SS**  trans-155.285.2142.8-21.60000110.2A63T61-A63 PolarHBondContact O-N 2.94Å
62S46.3Very low43.1Very low124 Ų124125.2 Ų125.287%0.86774%0.74SS**  trans-66.5101.6167.341.60000110.8
63A39.8Very low43.9Very low90 Ų90121.1 Ų121.174%0.74472%0.719SS**  trans-133.9105.8153.700000107.3T61 Y65T61-A63 PolarHBondContact O-N 2.94Å; A63-Y65 PolarHBondContact O-N 3.05Å
64A40.9Very low45Very low95 Ų95117.5 Ų117.579%0.78570%0.697SS**  trans-53104.5-17600000112
65Y40.2Very low46Very low195 Ų195111.5 Ų111.577%0.76567%0.668SS**  trans-118.752.6155.3-134-86.5000108A63 N67A63-Y65 PolarHBondContact O-N 3.05Å; Y65-N67 PolarHBondContact O-N 2.9Å
66Y40.2Very low47.5Very low204 Ų204108.5 Ų108.580%0.864%0.635SS**  trans-66.196.9151.8-89.4-83.6000104.9D68Y66-D68 PolarHBondContact O-N 2.71Å
67N41.7Very low48.8Very low113 Ų113107 Ų10760%0.60461%0.613SS**  trans-5989.4150.7-84.7-52.9000104.9Y65 I69Y65-N67 PolarHBondContact O-N 2.9Å; N67-I69 HydrophobicContact CB-CG1 4.12Å; N67-I69 PolarHBondContact O-N 2.85Å
68D41.1Very low49.8Very low97 Ų97107.2 Ų107.252%0.51961%0.608SS.*  trans-6582.1161.5-156.19000104.3Y66 L70Y66-D68 PolarHBondContact O-N 2.71Å; D68-L70 PolarHBondContact O-N 2.97Å
69I45.8Very low51.2Low113 Ų113101.3 Ų101.358%0.57958%0.584SS**  trans-63.892.9174-66.2177.4000103.6N67 H71N67-I69 HydrophobicContact CB-CG1 4.12Å; N67-I69 PolarHBondContact O-N 2.85Å; I69-H71 PolarHBondContact O-CD2 2.96Å; I69-H71 PolarHBondContact O-N 3.24Å
70L46Very low53.1Low93 Ų93100.3 Ų100.349%0.48757%0.568SS.*  trans-58.990.2167.9-77.6162.7000106.6P44 D68 L72P44-L70 HydrophobicContact CB-CD2 3.75Å; D68-L70 PolarHBondContact O-N 2.97Å; L70-L72 PolarHBondContact O-N 3.35Å
71H51.3Low54.9Low129 Ų12998.1 Ų98.160%0.59755%0.545SS*.EExtended strand (participates in β ladder)trans-64.8105.6170.9-84.9-77.6000106.6I69 E73I69-H71 PolarHBondContact O-CD2 2.96Å; I69-H71 PolarHBondContact O-N 3.24Å; H71-E73 PolarHBondContact O-N 2.94Å
72L51.8Low57Low101 Ų10199.4 Ų99.453%0.52954%0.535SS..EExtended strand (participates in β ladder)trans-71.581.3171.5-116.374.6000108.1R42 P44 L70R42-L72 HydrophobicContact CB-CB 4.11Å; R42-L72 HydrophobicContact CB-CD2 3.61Å; R42-L72 HydrophobicContact CB-CG 3.74Å; R42-L72 HydrophobicContact CG-CD2 4.42Å; P44-L72 HydrophobicContact CB-CD1 4.47Å; L70-L72 PolarHBondContact O-N 3.35Å
73E60.9Low58.9Low93 Ų9397.7 Ų97.744%0.43552%0.515SS..EExtended strand (participates in β ladder)trans-82.3148171.4-108.3-176.4161.700110.5V43 V45 H71 S77V43-E73 PolarHBondContact N-O 3.4Å; V43-E73 VanDerWaalsContact N-O 3.15Å; V45-E73 HydrophobicContact CG2-CB 4.33Å; H71-E73 PolarHBondContact O-N 2.94Å; E73-S77 WeakPolarHBondContact OE1-CB 3.05Å; E73-S77 PolarHBondContact OE1-OG 2.97Å; E73-S77 WeakPolarHBondContact OE2-CB 3.05Å; E73-S77 PolarHBondContact OE2-OG 2.94Å
74S63.5Low61.3Low45 Ų4594.1 Ų94.132%0.31549%0.485SS..  trans-59.2139.4164.157.30000107.8C38 C76 S77C38-S74 WeakPolarHBondContact O-CB 3.29Å; S74-C76 PolarHBondContact O-N 3.34Å; S74-S77 WeakPolarHBondContact O-CB 3.42Å; S74-S77 PolarHBondContact O-N 2.83Å; S74-S77 PolarHBondContact O-OG 2.95Å
75P65.2Low63.6Low50 Ų5093.1 Ų93.133%0.32547%0.466SS..THydrogen-bonded Turntrans-60.3-2.3-17924.2-33.4000114C41 V43C41-P75 WeakPolarHBondContact O-CD 3.4Å; V43-P75 HydrophobicContact CG2-CB 4.02Å; V43-P75 HydrophobicContact CG2-CG 4.22Å
76C69.3Low66Low14 Ų1486.8 Ų86.810%0.09545%0.454CS..THydrogen-bonded Turntrans-118.615.5-177.7-47.40000112.3C38 S74 S78 V81C38-C76 HydrophobicContact CB-CB 3.73Å; C38-C76 WeakPolarHBondContact CB-SG 3.42Å; C38-C76 WeakPolarHBondContact SG-CB 3.32Å; C38-C76 CovalentContact SG-SG 2.03Å; C38-C76 PolarHBondContact SG-SG 2.99Å; S74-C76 PolarHBondContact O-N 3.34Å; C76-S78 VanDerWaalsContact C-N 3.26Å; C76-S78 PolarHBondContact O-N 3.1Å; C76-S78 VanDerWaalsContact O-N 3.15Å; C76-V81 HydrophobicContact CB-CB 4.4Å; C76-V81 HydrophobicContact CB-CG2 3.29Å; C76-V81 WeakPolarHBondContact O-CG2 3.33Å
77S65.4Low68.6Low46 Ų4682.3 Ų82.332%0.32244%0.439SS..THydrogen-bonded Turntrans-60.4-22-173.160.80000115.4E73 S74 G79E73-S77 WeakPolarHBondContact OE1-CB 3.05Å; E73-S77 PolarHBondContact OE1-OG 2.97Å; E73-S77 WeakPolarHBondContact OE2-CB 3.05Å; E73-S77 PolarHBondContact OE2-OG 2.94Å; S74-S77 WeakPolarHBondContact O-CB 3.42Å; S74-S77 PolarHBondContact O-N 2.83Å; S74-S77 PolarHBondContact O-OG 2.95Å; S77-G79 PolarHBondContact O-N 2.93Å
78S68Low71Confident93 Ų9378 Ų7865%0.6542%0.416SS*.THydrogen-bonded Turntrans-97.837.7-178.2-42.90000114.4C76 Y80C76-S78 VanDerWaalsContact C-N 3.26Å; C76-S78 PolarHBondContact O-N 3.1Å; C76-S78 VanDerWaalsContact O-N 3.15Å; S78-Y80 PolarHBondContact O-N 2.91Å
79G70.7Confident73.5Confident29 Ų2976.1 Ų76.130%0.29941%0.413SS..THydrogen-bonded Turntrans76.52.2-179.400000114.7S77 V81 Y82S77-G79 PolarHBondContact O-N 2.93Å; G79-V81 PolarHBondContact O-N 2.85Å; G79-V81 VanDerWaalsContact O-N 3.11Å; G79-Y82 WeakPolarHBondContact O-CB 3.25Å; G79-Y82 WeakPolarHBondContact O-CD2 3.24Å; G79-Y82 PolarHBondContact O-N 3.37Å
80Y78.6Confident75.8Confident147 Ų14776 Ų7658%0.57641%0.412SS*.THydrogen-bonded Turntrans-62.6-15.6172.4-72.6-78.3000113.1S78 Y82 I83 P84S78-Y80 PolarHBondContact O-N 2.91Å; Y80-Y82 PolarHBondContact O-N 3.39Å; Y80-I83 HydrophobicContact CD1-CD1 3.69Å; Y80-I83 HydrophobicContact CE1-CD1 4.27Å; Y80-I83 PolarHBondContact O-N 2.89Å; Y80-P84 WeakPolarHBondContact O-CD 3.21Å
81V84.1Confident78.1Confident47 Ų4772.9 Ų72.929%0.28540%0.395SS..THydrogen-bonded Turntrans-60.2-29.8168.3-178.90000112.1L35 C76 G79 I83 P84 L85L35-V81 HydrophobicContact CD2-CG1 3.93Å; C76-V81 HydrophobicContact CB-CB 4.4Å; C76-V81 HydrophobicContact CB-CG2 3.29Å; C76-V81 WeakPolarHBondContact O-CG2 3.33Å; G79-V81 PolarHBondContact O-N 2.85Å; G79-V81 VanDerWaalsContact O-N 3.11Å; V81-I83 VanDerWaalsContact C-N 3.29Å; V81-I83 PolarHBondContact O-N 2.91Å; V81-P84 VanDerWaalsContact O-CD 3.27Å; V81-P84 WeakPolarHBondContact O-CD 3.22Å; V81-P84 WeakPolarHBondContact O-CG 3.31Å; V81-L85 HydrophobicContact CG1-CD1 3.78Å; V81-L85 HydrophobicContact CG1-CG 4.25Å; V81-L85 WeakPolarHBondContact O-CG 3.33Å; V81-L85 PolarHBondContact O-N 3.09Å
82Y86.4Confident80.1Confident170 Ų17070.6 Ų70.667%0.66738%0.382SS*.Hα-helixtrans-70.7-24.4-178.7-62.5-63.4000113.1G79 Y80 L85 A86G79-Y82 WeakPolarHBondContact O-CB 3.25Å; G79-Y82 WeakPolarHBondContact O-CD2 3.24Å; G79-Y82 PolarHBondContact O-N 3.37Å; Y80-Y82 PolarHBondContact O-N 3.39Å; Y82-L85 HydrophobicContact CD1-CD1 4.32Å; Y82-A86 WeakPolarHBondContact O-CB 3.2Å; Y82-A86 PolarHBondContact O-N 3.47Å
83I86.7Confident82.1Confident87 Ų8770 Ų7045%0.44638%0.383SS..Hα-helixtrans-63.8-60177.6-57.6-179.3000110.9Y80 V81 L85 A86 F87Y80-I83 HydrophobicContact CD1-CD1 3.69Å; Y80-I83 HydrophobicContact CE1-CD1 4.27Å; Y80-I83 PolarHBondContact O-N 2.89Å; V81-I83 VanDerWaalsContact C-N 3.29Å; V81-I83 PolarHBondContact O-N 2.91Å; I83-L85 VanDerWaalsContact C-N 3.27Å; I83-L85 PolarHBondContact O-N 2.73Å; I83-A86 PolarHBondContact O-N 2.77Å; I83-F87 HydrophobicContact CG2-CD2 3.79Å; I83-F87 HydrophobicContact CG2-CE2 3.75Å; I83-F87 VanDerWaalsContact O-CD2 3.25Å; I83-F87 WeakPolarHBondContact O-CD2 3.35Å; I83-F87 PolarHBondContact O-N 2.77Å
84P88.6Confident83.6Confident16 Ų1668.8 Ų68.810%0.10438%0.381CS..Hα-helixtrans-64.5-29.4176.825.8-33.1000112.7L35 Y80 V81 L88L35-P84 HydrophobicContact CD2-CB 4.25Å; L35-P84 HydrophobicContact CD2-CG 3.8Å; L35-P84 HydrophobicContact CG-CB 4.31Å; L35-P84 HydrophobicContact CG-CG 4.35Å; Y80-P84 WeakPolarHBondContact O-CD 3.21Å; V81-P84 VanDerWaalsContact O-CD 3.27Å; V81-P84 WeakPolarHBondContact O-CD 3.22Å; V81-P84 WeakPolarHBondContact O-CG 3.31Å; P84-L88 WeakPolarHBondContact O-CB 3.42Å; P84-L88 PolarHBondContact O-N 3.06Å
85L89.4Confident85Confident73 Ų7366.6 Ų66.638%0.38237%0.366SS..Hα-helixtrans-65.8-44.7172.9-75.6174.2000112.7L35 V81 Y82 I83 L88 A89L35-L85 HydrophobicContact CD1-CD2 3.89Å; L35-L85 HydrophobicContact CD2-CD2 4.22Å; L35-L85 HydrophobicContact CD2-CG 4.08Å; V81-L85 HydrophobicContact CG1-CD1 3.78Å; V81-L85 HydrophobicContact CG1-CG 4.25Å; V81-L85 WeakPolarHBondContact O-CG 3.33Å; V81-L85 PolarHBondContact O-N 3.09Å; Y82-L85 HydrophobicContact CD1-CD1 4.32Å; I83-L85 VanDerWaalsContact C-N 3.27Å; I83-L85 PolarHBondContact O-N 2.73Å; L85-L88 PolarHBondContact O-N 2.85Å; L85-A89 WeakPolarHBondContact O-CB 3.42Å; L85-A89 PolarHBondContact O-N 2.78Å
86A91.6Very high86.2Confident63 Ų6366.8 Ų66.852%0.52136%0.364SS..Hα-helixtrans-66.2-42.5177.900000111.4Y82 I83 A89 M90Y82-A86 WeakPolarHBondContact O-CB 3.2Å; Y82-A86 PolarHBondContact O-N 3.47Å; I83-A86 PolarHBondContact O-N 2.77Å; A86-A89 PolarHBondContact O-N 3.43Å; A86-M90 WeakPolarHBondContact O-CB 3.49Å; A86-M90 PolarHBondContact O-N 2.82Å
87F93.4Very high87.3Confident110 Ų11070.5 Ų70.548%0.48239%0.386SS..Hα-helixtrans-62.8-43.2173-83.7-69.2000112I83 A89 M90 L91I83-F87 HydrophobicContact CG2-CD2 3.79Å; I83-F87 HydrophobicContact CG2-CE2 3.75Å; I83-F87 VanDerWaalsContact O-CD2 3.25Å; I83-F87 WeakPolarHBondContact O-CD2 3.35Å; I83-F87 PolarHBondContact O-N 2.77Å; F87-A89 PolarHBondContact O-N 3.07Å; F87-M90 HydrophobicContact CD1-CE 4.22Å; F87-M90 HydrophobicContact CE1-CE 4.25Å; F87-M90 PolarHBondContact O-N 2.88Å; F87-L91 VanDerWaalsContact O-CB 3.31Å; F87-L91 WeakPolarHBondContact O-CB 3.24Å; F87-L91 VanDerWaalsContact O-CG 3.23Å; F87-L91 WeakPolarHBondContact O-CG 3.35Å; F87-L91 PolarHBondContact O-N 3.22Å
88L93.6Very high88.5Confident22 Ų2270.9 Ų70.912%0.11538%0.383CS..Hα-helixtrans-60.5-44.8176.2-178.372.4000111.4M28 C31 F32 L35 P84 L85 L91 Y92M28-L88 HydrophobicContact CB-CD1 4.03Å; M28-L88 HydrophobicContact CE-CD1 3.74Å; M28-L88 HydrophobicContact CG-CD1 4.18Å; C31-L88 HydrophobicContact CB-CB 4.05Å; C31-L88 HydrophobicContact CB-CD1 3.92Å; F32-L88 HydrophobicContact CD1-CD2 4.25Å; F32-L88 HydrophobicContact CD2-CD1 4.18Å; F32-L88 HydrophobicContact CE1-CD1 4.2Å; F32-L88 HydrophobicContact CE1-CD2 3.63Å; F32-L88 HydrophobicContact CE2-CD1 3.7Å; F32-L88 HydrophobicContact CZ-CD1 3.72Å; F32-L88 HydrophobicContact CZ-CD2 3.83Å; F32-L88 HydrophobicContact CZ-CG 4.34Å; L35-L88 HydrophobicContact CD1-CD2 4.22Å; P84-L88 WeakPolarHBondContact O-CB 3.42Å; P84-L88 PolarHBondContact O-N 3.06Å; L85-L88 PolarHBondContact O-N 2.85Å; L88-L91 PolarHBondContact O-N 3.05Å; L88-Y92 VanDerWaalsContact O-CB 3.28Å; L88-Y92 WeakPolarHBondContact O-CB 3.3Å; L88-Y92 PolarHBondContact O-N 2.94Å
89A92.8Very high89.5Confident57 Ų5766.4 Ų66.447%0.47135%0.352SS..Hα-helixtrans-62.8-46.2177.400000111.6L85 A86 F87 Y92 V93L85-A89 WeakPolarHBondContact O-CB 3.42Å; L85-A89 PolarHBondContact O-N 2.78Å; A86-A89 PolarHBondContact O-N 3.43Å; F87-A89 PolarHBondContact O-N 3.07Å; A89-Y92 PolarHBondContact O-N 3.01Å; A89-V93 WeakPolarHBondContact O-CG2 3.38Å; A89-V93 PolarHBondContact O-N 3.3Å; A89-V93 VanDerWaalsContact O-N 3.07Å
90M94.3Very high90.4Very high110 Ų11072.7 Ų72.754%0.54237%0.366SS..Hα-helixtrans-61.1-48.9176.7-174.9-129.5-76.800111.7A86 F87 Y92 V93 V94A86-M90 WeakPolarHBondContact O-CB 3.49Å; A86-M90 PolarHBondContact O-N 2.82Å; F87-M90 HydrophobicContact CD1-CE 4.22Å; F87-M90 HydrophobicContact CE1-CE 4.25Å; F87-M90 PolarHBondContact O-N 2.88Å; M90-Y92 VanDerWaalsContact C-N 3.28Å; M90-Y92 PolarHBondContact O-N 3.19Å; M90-V93 PolarHBondContact O-N 2.87Å; M90-V94 WeakPolarHBondContact O-CG2 3.47Å; M90-V94 PolarHBondContact O-N 2.91Å; M90-V94 VanDerWaalsContact O-N 3.1Å
91L93.9Very high90.9Very high28 Ų2870.2 Ų70.215%0.14736%0.36CS..Hα-helixtrans-61.3-37.6178.1-72.9170.9000111.8L24 L27 M28 F87 L88 V94 Y95L24-L91 HydrophobicContact CD2-CD2 4.1Å; L27-L91 HydrophobicContact CB-CD1 3.93Å; L27-L91 HydrophobicContact CB-CD2 4.49Å; L27-L91 HydrophobicContact CD1-CD2 4.32Å; M28-L91 HydrophobicContact CG-CB 3.86Å; M28-L91 HydrophobicContact CG-CD1 4.44Å; F87-L91 VanDerWaalsContact O-CB 3.31Å; F87-L91 WeakPolarHBondContact O-CB 3.24Å; F87-L91 VanDerWaalsContact O-CG 3.23Å; F87-L91 WeakPolarHBondContact O-CG 3.35Å; F87-L91 PolarHBondContact O-N 3.22Å; L88-L91 PolarHBondContact O-N 3.05Å; L91-V94 PolarHBondContact O-N 3.16Å; L91-Y95 VanDerWaalsContact O-CB 3.24Å; L91-Y95 WeakPolarHBondContact O-CB 3.21Å; L91-Y95 PolarHBondContact O-N 3.36Å
92Y93.1Very high90.9Very high82 Ų8269.2 Ų69.232%0.32236%0.355SS..Hα-helixtrans-65.3-41.1176.8-175.2-121.1000112.3M28 L88 A89 M90 Y95 L96 L277M28-Y92 HydrophobicContact CE-CD2 3.71Å; M28-Y92 HydrophobicContact CE-CG 4.14Å; M28-Y92 HydrophobicContact SD-CD2 4.38Å; L88-Y92 VanDerWaalsContact O-CB 3.28Å; L88-Y92 WeakPolarHBondContact O-CB 3.3Å; L88-Y92 PolarHBondContact O-N 2.94Å; A89-Y92 PolarHBondContact O-N 3.01Å; M90-Y92 VanDerWaalsContact C-N 3.28Å; M90-Y92 PolarHBondContact O-N 3.19Å; Y92-Y95 HydrophobicContact CD2-CD1 4.07Å; Y92-Y95 HydrophobicContact CE2-CD1 4.2Å; Y92-Y95 HydrophobicContact CE2-CE1 4.43Å; Y92-Y95 WeakPolarHBondContact O-CB 3.15Å; Y92-Y95 PolarHBondContact O-N 2.96Å; Y92-L96 HydrophobicContact CD1-CD1 4.09Å; Y92-L96 HydrophobicContact CD2-CG 4.5Å; Y92-L96 HydrophobicContact CE1-CD1 3.63Å; Y92-L96 HydrophobicContact CE1-CG 4.2Å; Y92-L96 HydrophobicContact CE2-CD1 4.49Å; Y92-L96 HydrophobicContact CE2-CD2 4.2Å; Y92-L96 HydrophobicContact CE2-CG 4.19Å; Y92-L96 WeakPolarHBondContact O-CG 3.49Å; Y92-L96 PolarHBondContact O-N 2.89Å; Y92-L277 HydrophobicContact CD2-CD2 4.31Å; Y92-L277 HydrophobicContact CE2-CD2 4.43Å
93V93.8Very high90.8Very high89 Ų8962.9 Ų62.954%0.53933%0.331SS..Hα-helixtrans-62-48.3175.1173.20000110.9A89 M90 Y95 L96 V97A89-V93 WeakPolarHBondContact O-CG2 3.38Å; A89-V93 PolarHBondContact O-N 3.3Å; A89-V93 VanDerWaalsContact O-N 3.07Å; M90-V93 PolarHBondContact O-N 2.87Å; V93-Y95 VanDerWaalsContact C-N 3.28Å; V93-Y95 PolarHBondContact O-N 3.26Å; V93-L96 PolarHBondContact O-N 3.06Å; V93-L96 VanDerWaalsContact O-N 3.16Å; V93-V97 WeakPolarHBondContact O-CG2 3.41Å; V93-V97 PolarHBondContact O-N 3.39Å
94V93.1Very high90.7Very high66 Ų6661 Ų6140%0.433%0.326SS..Hα-helixtrans-58.9-42.4176.6174.80000110.9L24 M90 L91 L96 V97 E98L24-V94 HydrophobicContact CD1-CG1 4.17Å; L24-V94 HydrophobicContact CD2-CG1 4.04Å; M90-V94 WeakPolarHBondContact O-CG2 3.47Å; M90-V94 PolarHBondContact O-N 2.91Å; M90-V94 VanDerWaalsContact O-N 3.1Å; L91-V94 PolarHBondContact O-N 3.16Å; V94-L96 PolarHBondContact O-N 3.5Å; V94-V97 PolarHBondContact O-N 2.84Å; V94-E98 PolarHBondContact O-N 2.83Å
95Y92.4Very high90.4Very high0 Ų066.5 Ų66.50%035%0.348CS..Hα-helixtrans-61.6-41.9175.7167.2-91.8000112.9L24 T25 L91 Y92 V93 E98 C99 S274 L277 S279L24-Y95 HydrophobicContact CB-CD2 4.36Å; T25-Y95 HydrophobicContact CG2-CD2 4.15Å; T25-Y95 HydrophobicContact CG2-CE2 3.69Å; L91-Y95 VanDerWaalsContact O-CB 3.24Å; L91-Y95 WeakPolarHBondContact O-CB 3.21Å; L91-Y95 PolarHBondContact O-N 3.36Å; Y92-Y95 HydrophobicContact CD2-CD1 4.07Å; Y92-Y95 HydrophobicContact CE2-CD1 4.2Å; Y92-Y95 HydrophobicContact CE2-CE1 4.43Å; Y92-Y95 WeakPolarHBondContact O-CB 3.15Å; Y92-Y95 PolarHBondContact O-N 2.96Å; V93-Y95 VanDerWaalsContact C-N 3.28Å; V93-Y95 PolarHBondContact O-N 3.26Å; Y95-E98 PolarHBondContact O-N 3.43Å; Y95-C99 VanDerWaalsContact CZ-SG 3.51Å; Y95-C99 WeakPolarHBondContact O-CB 3.29Å; Y95-C99 PolarHBondContact O-N 2.91Å; Y95-C99 PolarHBondContact O-SG 2.94Å; Y95-S274 WeakPolarHBondContact CE1-O 3.28Å; Y95-S274 WeakPolarHBondContact OH-CA 3.29Å; Y95-S274 PolarHBondContact OH-O 3Å; Y95-L277 HydrophobicContact CD1-CD2 4.12Å; Y95-L277 HydrophobicContact CE1-CD2 3.85Å; Y95-L277 HydrophobicContact CE2-CD2 4.43Å; Y95-L277 WeakPolarHBondContact OH-CA 3.47Å; Y95-S279 VanDerWaalsContact CE2-OG 3.27Å; Y95-S279 WeakPolarHBondContact CE2-OG 3.38Å; Y95-S279 VanDerWaalsContact CZ-OG 3.28Å; Y95-S279 VanDerWaalsContact OH-CB 3.23Å; Y95-S279 WeakPolarHBondContact OH-CB 3.38Å; Y95-S279 PolarHBondContact OH-OG 3.38Å
96L91.1Very high89.9Confident54 Ų5466 Ų6628%0.28335%0.348SS..Hα-helixtrans-65-40.1175.8-73.2179.2000111.9Y92 V93 V94 C99 W100Y92-L96 HydrophobicContact CD1-CD1 4.09Å; Y92-L96 HydrophobicContact CD2-CG 4.5Å; Y92-L96 HydrophobicContact CE1-CD1 3.63Å; Y92-L96 HydrophobicContact CE1-CG 4.2Å; Y92-L96 HydrophobicContact CE2-CD1 4.49Å; Y92-L96 HydrophobicContact CE2-CD2 4.2Å; Y92-L96 HydrophobicContact CE2-CG 4.19Å; Y92-L96 WeakPolarHBondContact O-CG 3.49Å; Y92-L96 PolarHBondContact O-N 2.89Å; V93-L96 PolarHBondContact O-N 3.06Å; V93-L96 VanDerWaalsContact O-N 3.16Å; V94-L96 PolarHBondContact O-N 3.5Å; L96-C99 PolarHBondContact O-N 3.38Å; L96-W100 WeakPolarHBondContact O-CB 3.42Å; L96-W100 PolarHBondContact O-N 2.87Å
97V91.9Very high89.3Confident91 Ų9165.1 Ų65.155%0.55234%0.341SS*.Hα-helixtrans-62.9-43.6175.2173.60000111V93 V94 C99 W100 H101V93-V97 WeakPolarHBondContact O-CG2 3.41Å; V93-V97 PolarHBondContact O-N 3.39Å; V94-V97 PolarHBondContact O-N 2.84Å; V97-C99 VanDerWaalsContact C-N 3.33Å; V97-C99 PolarHBondContact O-N 2.94Å; V97-W100 WeakPolarHBondContact O-CB 3.34Å; V97-W100 PolarHBondContact O-N 2.91Å; V97-H101 WeakPolarHBondContact O-CB 3.25Å; V97-H101 PolarHBondContact O-N 3.15Å
98E91.3Very high88.4Confident54 Ų5467.5 Ų67.525%0.25236%0.355SS..Hα-helixtrans-64.2-36.8174.3-79.6-70.6167.100112.3L24 V94 Y95 C102L24-E98 HydrophobicContact CD1-CB 4.38Å; L24-E98 HydrophobicContact CD1-CG 4.05Å; V94-E98 PolarHBondContact O-N 2.83Å; Y95-E98 PolarHBondContact O-N 3.43Å; E98-C102 WeakPolarHBondContact O-CB 3.19Å; E98-C102 PolarHBondContact O-N 3.49Å
99C89.6Confident87.7Confident0 Ų067.5 Ų67.50%036%0.355CS..Hα-helixtrans-65.2-43.3172.4-67.60000112.5Y95 L96 V97 C102 F103 F270 R283Y95-C99 VanDerWaalsContact CZ-SG 3.51Å; Y95-C99 WeakPolarHBondContact O-CB 3.29Å; Y95-C99 PolarHBondContact O-N 2.91Å; Y95-C99 PolarHBondContact O-SG 2.94Å; L96-C99 PolarHBondContact O-N 3.38Å; V97-C99 VanDerWaalsContact C-N 3.33Å; V97-C99 PolarHBondContact O-N 2.94Å; C99-C102 PolarHBondContact O-N 3.41Å; C99-F103 VanDerWaalsContact O-CB 3.29Å; C99-F103 WeakPolarHBondContact O-CB 3.38Å; C99-F103 PolarHBondContact O-N 3.44Å; C99-F270 HydrophobicContact CB-CE1 4.4Å; C99-F270 HydrophobicContact CB-CZ 4.43Å; C99-R283 VanDerWaalsContact CA-NH2 3.34Å; C99-R283 PolarHBondContact SG-NH2 3.35Å
100W89.9Confident87Confident160 Ų16065.7 Ų65.761%0.60634%0.34SS*.Hα-helixtrans-61.8-47.4175.4179.5-90.1000111.7L96 V97 C102 F103 S104 W271L96-W100 WeakPolarHBondContact O-CB 3.42Å; L96-W100 PolarHBondContact O-N 2.87Å; V97-W100 WeakPolarHBondContact O-CB 3.34Å; V97-W100 PolarHBondContact O-N 2.91Å; W100-C102 VanDerWaalsContact C-N 3.35Å; W100-C102 PolarHBondContact O-N 3.22Å; W100-F103 PolarHBondContact O-N 3.42Å; W100-S104 WeakPolarHBondContact O-CB 3.33Å; W100-S104 PolarHBondContact O-N 3.39Å; W100-W271 HydrophobicContact CB-CH2 4.37Å; W100-W271 AromaticContact CE3-CH2 3.67Å; W100-W271 HydrophobicContact CE3-CH2 3.67Å; W100-W271 AromaticContact CE3-CZ2 3.61Å; W100-W271 HydrophobicContact CE3-CZ2 3.61Å; W100-W271 HydrophobicContact CZ3-CH2 4.41Å; W100-W271 HydrophobicContact CZ3-CZ2 4.02Å
101H88.4Confident86.5Confident95 Ų9563.4 Ų63.444%0.4433%0.328SS..Hα-helixtrans-62.1-41.9178.9178.8-121.4000111.9V97 K105V97-H101 WeakPolarHBondContact O-CB 3.25Å; V97-H101 PolarHBondContact O-N 3.15Å; H101-K105 WeakPolarHBondContact CE1-CE 3.24Å; H101-K105 PolarHBondContact CE1-NZ 3.44Å; H101-K105 WeakPolarHBondContact NE2-CE 3.29Å; H101-K105 WeakPolarHBondContact O-CG 3.22Å; H101-K105 PolarHBondContact O-N 2.82Å; H101-K105 VanDerWaalsContact O-N 3.11Å
102C83.3Confident86.2Confident27 Ų2762.2 Ų62.218%0.18232%0.322CS..Hα-helixtrans-65.6-41.7174.6-173.50000112.6E98 C99 W100 T106 R283E98-C102 WeakPolarHBondContact O-CB 3.19Å; E98-C102 PolarHBondContact O-N 3.49Å; C99-C102 PolarHBondContact O-N 3.41Å; W100-C102 VanDerWaalsContact C-N 3.35Å; W100-C102 PolarHBondContact O-N 3.22Å; C102-T106 PolarHBondContact O-N 2.84Å; C102-T106 PolarHBondContact O-OG1 3.08Å; C102-R283 PolarHBondContact SG-NH1 2.97Å; C102-R283 VanDerWaalsContact SG-NH1 3.44Å
103F85.6Confident86.1Confident37 Ų3762.6 Ų62.616%0.16233%0.326CS..Hα-helixtrans-62.5-49.8177178.8-98.7000110.9C99 W100 K105 T106 A107 H267 F270 W271C99-F103 VanDerWaalsContact O-CB 3.29Å; C99-F103 WeakPolarHBondContact O-CB 3.38Å; C99-F103 PolarHBondContact O-N 3.44Å; W100-F103 PolarHBondContact O-N 3.42Å; F103-K105 VanDerWaalsContact C-N 3.33Å; F103-K105 PolarHBondContact O-N 3.35Å; F103-T106 CarbonylContact O-C 3.38Å; F103-T106 PolarHBondContact O-N 3.04Å; F103-A107 HydrophobicContact CD1-CB 4.37Å; F103-A107 HydrophobicContact CE1-CB 4.07Å; F103-A107 HydrophobicContact CZ-CB 4.38Å; F103-A107 WeakPolarHBondContact O-CB 3.41Å; F103-A107 PolarHBondContact O-N 2.76Å; F103-H267 HydrophobicContact CE2-CB 3.97Å; F103-H267 AromaticContact CE2-CG 3.79Å; F103-H267 AromaticContact CE2-ND1 3.28Å; F103-H267 VanDerWaalsContact CE2-ND1 3.28Å; F103-H267 WeakPolarHBondContact CE2-ND1 3.42Å; F103-H267 HydrophobicContact CZ-CB 4.07Å; F103-H267 AromaticContact CZ-CE1 3.96Å; F103-H267 AromaticContact CZ-CG 3.72Å; F103-H267 AromaticContact CZ-ND1 3.46Å; F103-H267 WeakPolarHBondContact CZ-ND1 3.41Å; F103-F270 HydrophobicContact CB-CD1 4.31Å; F103-F270 HydrophobicContact CB-CE1 3.7Å; F103-F270 HydrophobicContact CB-CZ 4.08Å; F103-F270 AromaticContact CD2-CD1 3.7Å; F103-F270 HydrophobicContact CD2-CD1 3.7Å; F103-F270 AromaticContact CD2-CE1 3.97Å; F103-F270 HydrophobicContact CD2-CE1 3.97Å; F103-F270 HydrophobicContact CD2-CG 4.19Å; F103-F270 HydrophobicContact CE2-CD1 4.48Å; F103-F270 HydrophobicContact CG-CD1 4.35Å; F103-F270 HydrophobicContact CG-CE1 4.21Å; F103-W271 HydrophobicContact CD1-CZ2 4.43Å; F103-W271 HydrophobicContact CG-CZ2 4.45Å
104S84.8Confident86Confident48 Ų4858.9 Ų58.934%0.33630%0.303SS..Hα-helixtrans-55.5-46.4178.4178.70000111.6W100 T106 A107 M108W100-S104 WeakPolarHBondContact O-CB 3.33Å; W100-S104 PolarHBondContact O-N 3.39Å; S104-T106 PolarHBondContact O-N 2.75Å; S104-A107 PolarHBondContact O-N 2.92Å; S104-M108 WeakPolarHBondContact O-CB 3.28Å; S104-M108 VanDerWaalsContact O-CG 3.23Å; S104-M108 WeakPolarHBondContact O-CG 3.36Å; S104-M108 PolarHBondContact O-N 3.42Å
105K82.4Confident85.8Confident130 Ų13060.7 Ų60.757%0.56531%0.307SS*.Hα-helixtrans-56.6-35.2175.1-77.4-178.6175.3-177.20113.9H101 F103H101-K105 WeakPolarHBondContact CE1-CE 3.24Å; H101-K105 PolarHBondContact CE1-NZ 3.44Å; H101-K105 WeakPolarHBondContact NE2-CE 3.29Å; H101-K105 WeakPolarHBondContact O-CG 3.22Å; H101-K105 PolarHBondContact O-N 2.82Å; H101-K105 VanDerWaalsContact O-N 3.11Å; F103-K105 VanDerWaalsContact C-N 3.33Å; F103-K105 PolarHBondContact O-N 3.35Å
106T78.7Confident85.7Confident64 Ų6463.9 Ų63.939%0.39332%0.322SS..Hα-helixtrans-84.7-36.5-179.6-48.90000111.3C102 F103 S104 M108 L109C102-T106 PolarHBondContact O-N 2.84Å; C102-T106 PolarHBondContact O-OG1 3.08Å; F103-T106 CarbonylContact O-C 3.38Å; F103-T106 PolarHBondContact O-N 3.04Å; S104-T106 PolarHBondContact O-N 2.75Å; T106-M108 VanDerWaalsContact C-N 3.33Å; T106-L109 HydrophobicContact CG2-CD1 4.44Å; T106-L109 WeakPolarHBondContact O-CB 3.23Å; T106-L109 PolarHBondContact O-N 3.04Å
107A77.9Confident85.8Confident44 Ų4461.3 Ų61.336%0.36431%0.309SS..Hα-helixtrans-68.6-31.1178.100000112.6F103 S104 L109F103-A107 HydrophobicContact CD1-CB 4.37Å; F103-A107 HydrophobicContact CE1-CB 4.07Å; F103-A107 HydrophobicContact CZ-CB 4.38Å; F103-A107 WeakPolarHBondContact O-CB 3.41Å; F103-A107 PolarHBondContact O-N 2.76Å; S104-A107 PolarHBondContact O-N 2.92Å; A107-L109 PolarHBondContact O-N 3.26Å
108M74.5Confident85.8Confident160 Ų16060 Ų6079%0.78829%0.294SS*.THydrogen-bonded Turntrans-70.5-12.1174.2-72.3-70-117.400113.5S104 T106S104-M108 WeakPolarHBondContact O-CB 3.28Å; S104-M108 VanDerWaalsContact O-CG 3.23Å; S104-M108 WeakPolarHBondContact O-CG 3.36Å; S104-M108 PolarHBondContact O-N 3.42Å; T106-M108 VanDerWaalsContact C-N 3.33Å
109L79.4Confident85.9Confident22 Ų2261.5 Ų61.512%0.11530%0.301CS..SBendtrans-71.5136.2176.4-63.2173.8000110.3T106 A107 H111 H251 L253T106-L109 HydrophobicContact CG2-CD1 4.44Å; T106-L109 WeakPolarHBondContact O-CB 3.23Å; T106-L109 PolarHBondContact O-N 3.04Å; A107-L109 PolarHBondContact O-N 3.26Å; L109-H111 PolarHBondContact O-CE1 3.35Å; L109-H111 PolarHBondContact O-N 3.23Å; L109-H111 PolarHBondContact O-ND1 2.86Å; L109-H251 HydrophobicContact CD2-CB 3.55Å; L109-L253 HydrophobicContact CB-CB 4.33Å; L109-L253 HydrophobicContact CD1-CB 4.49Å
110A77.9Confident85.9Confident18 Ų1862.5 Ų62.515%0.14931%0.305CS..EExtended strand (participates in β ladder)trans-64.8121.8172.100000109.7R249 L253A110-R249 VanDerWaalsContact CB-NH1 3.32Å; A110-L253 PolarHBondContact O-N 3.04Å
111H84.6Confident86.1Confident63 Ų6355.2 Ų55.229%0.29228%0.278SS..EExtended strand (participates in β ladder)trans-87.5132.8173.7-65.760.3000108.6L109 L253 F255L109-H111 PolarHBondContact O-CE1 3.35Å; L109-H111 PolarHBondContact O-N 3.23Å; L109-H111 PolarHBondContact O-ND1 2.86Å; H111-L253 WeakPolarHBondContact CA-O 3.47Å; H111-F255 AromaticContact CD2-CE2 3.43Å; H111-F255 VanDerWaalsContact CD2-CE2 3.43Å; H111-F255 WeakPolarHBondContact CD2-CE2 3.36Å
112A86.6Confident86.3Confident2 Ų255.6 Ų55.62%0.01728%0.28CS..EExtended strand (participates in β ladder)trans-140.6154179.200000111.2V117 I252 L253 A254 F255A112-V117 HydrophobicContact CB-CG2 3.94Å; A112-I252 HydrophobicContact CB-CG2 3.71Å; A112-L253 PolarHBondContact N-O 3.07Å; A112-A254 VanDerWaalsContact O-CA 3.28Å; A112-A254 WeakPolarHBondContact O-CA 3.5Å; A112-F255 PolarHBondContact O-N 2.88Å
113E91.8Very high86.8Confident90 Ų9058.9 Ų58.942%0.42129%0.289SS..EExtended strand (participates in β ladder)trans-77.8153.7167.9-170.2175165.400110.5Q115 E116 V117 P258E113-Q115 VanDerWaalsContact C-N 3.27Å; E113-Q115 PolarHBondContact O-N 2.88Å; E113-E116 HydrophobicContact CB-CB 4.42Å; E113-E116 WeakPolarHBondContact O-CB 3.5Å; E113-E116 PolarHBondContact O-N 2.91Å; E113-E116 VanDerWaalsContact O-N 3.16Å; E113-V117 WeakPolarHBondContact O-CG2 3.45Å; E113-V117 PolarHBondContact O-N 3.45Å; E113-P258 HydrophobicContact CB-CG 3.74Å; E113-P258 HydrophobicContact CG-CG 4.38Å
114F89.9Confident87.1Confident11 Ų1157.3 Ų57.35%0.04828%0.282CS..Hα-helixtrans-55.2-40.8176-65.7-25.6000113.3E116 V117 Y118 L192 E193 H195 V198 A254 F255 P256F114-E116 PolarHBondContact O-N 3.19Å; F114-V117 WeakPolarHBondContact O-CB 3.31Å; F114-V117 PolarHBondContact O-N 3.44Å; F114-Y118 WeakPolarHBondContact O-CD2 3.28Å; F114-Y118 PolarHBondContact O-N 3.02Å; F114-L192 HydrophobicContact CD1-CB 4.07Å; F114-L192 HydrophobicContact CD2-CB 4.47Å; F114-L192 HydrophobicContact CE1-CB 4.37Å; F114-L192 HydrophobicContact CG-CB 4.14Å; F114-L192 WeakPolarHBondContact CZ-O 3.48Å; F114-E193 HydrophobicContact CD2-CG 4.05Å; F114-H195 WeakPolarHBondContact CZ-O 3.37Å; F114-V198 HydrophobicContact CE1-CB 4.41Å; F114-V198 HydrophobicContact CE1-CG2 4.06Å; F114-V198 HydrophobicContact CZ-CG2 4.25Å; F114-A254 HydrophobicContact CD1-CB 3.74Å; F114-A254 HydrophobicContact CE1-CB 3.81Å; F114-F255 PolarHBondContact N-O 2.8Å; F114-P256 HydrophobicContact CD2-CB 4.08Å; F114-P256 HydrophobicContact CD2-CG 4.38Å; F114-P256 VanDerWaalsContact CE2-CA 3.43Å; F114-P256 HydrophobicContact CE2-CB 3.65Å; F114-P256 HydrophobicContact CE2-CG 3.47Å; F114-P256 VanDerWaalsContact CE2-CG 3.47Å; F114-P256 HydrophobicContact CZ-CB 4.34Å; F114-P256 VanDerWaalsContact CZ-CD 3.5Å; F114-P256 HydrophobicContact CZ-CG 3.77Å
115Q90.4Very high87.5Confident104 Ų10457.7 Ų57.749%0.48628%0.278SS..Hα-helixtrans-62.8-43.6177.3-175.160.116.400111.9E113 V117 Y118 E119E113-Q115 VanDerWaalsContact C-N 3.27Å; E113-Q115 PolarHBondContact O-N 2.88Å; Q115-V117 PolarHBondContact O-N 2.66Å; Q115-Y118 PolarHBondContact O-N 3.11Å; Q115-Y118 VanDerWaalsContact O-N 3.17Å; Q115-E119 PolarHBondContact NE2-OE1 3.48Å; Q115-E119 PolarHBondContact O-N 2.79Å
116E90.8Very high88Confident68 Ų6858 Ų5832%0.31828%0.282SS..Hα-helixtrans-62.4-34.7176.2-164.1-158.6149.300111.6E113 F114 R120E113-E116 HydrophobicContact CB-CB 4.42Å; E113-E116 WeakPolarHBondContact O-CB 3.5Å; E113-E116 PolarHBondContact O-N 2.91Å; E113-E116 VanDerWaalsContact O-N 3.16Å; F114-E116 PolarHBondContact O-N 3.19Å; E116-R120 WeakPolarHBondContact O-CB 3.37Å; E116-R120 PolarHBondContact O-N 2.93Å; E116-R120 IonicContact OE1-CZ 2.73Å; E116-R120 VanDerWaalsContact OE1-CZ 3.28Å; E116-R120 IonicContact OE1-NH1 3.57Å; E116-R120 PolarHBondContact OE1-NH1 2.82Å; E116-R120 IonicContact OE1-NH2 2.75Å; E116-R120 PolarHBondContact OE1-NH2 3.26Å
117V92Very high88.7Confident0 Ų055.3 Ų55.30%027%0.266CS..Hα-helixtrans-65-45.4174.8174.90000111A112 E113 F114 Q115 R120 V121 L189 L192 L200 I252 A254A112-V117 HydrophobicContact CB-CG2 3.94Å; E113-V117 WeakPolarHBondContact O-CG2 3.45Å; E113-V117 PolarHBondContact O-N 3.45Å; F114-V117 WeakPolarHBondContact O-CB 3.31Å; F114-V117 PolarHBondContact O-N 3.44Å; Q115-V117 PolarHBondContact O-N 2.66Å; V117-R120 PolarHBondContact O-N 2.92Å; V117-V121 HydrophobicContact CG1-CG2 4.41Å; V117-V121 VanDerWaalsContact O-CG2 3.3Å; V117-V121 WeakPolarHBondContact O-CG2 3.35Å; V117-V121 PolarHBondContact O-N 3.32Å; V117-L189 HydrophobicContact CG1-CD2 4.11Å; V117-L192 HydrophobicContact CB-CD1 4.22Å; V117-L192 HydrophobicContact CG1-CD1 3.84Å; V117-L200 HydrophobicContact CG1-CD1 4.34Å; V117-L200 HydrophobicContact CG1-CD2 3.66Å; V117-L200 HydrophobicContact CG2-CD1 4.46Å; V117-I252 HydrophobicContact CG2-CG2 4.31Å; V117-A254 HydrophobicContact CG2-CB 3.73Å
118Y92.3Very high89.4Confident62 Ų6256.2 Ų56.224%0.24327%0.268CS..Hα-helixtrans-61.8-46.4177.3-74.7-61.7000112F114 Q115 R120 V121 Q122 L189 L192F114-Y118 WeakPolarHBondContact O-CD2 3.28Å; F114-Y118 PolarHBondContact O-N 3.02Å; Q115-Y118 PolarHBondContact O-N 3.11Å; Q115-Y118 VanDerWaalsContact O-N 3.17Å; Y118-R120 VanDerWaalsContact C-N 3.31Å; Y118-R120 PolarHBondContact O-N 3.44Å; Y118-V121 PolarHBondContact O-N 2.63Å; Y118-Q122 PolarHBondContact O-N 2.79Å; Y118-L189 HydrophobicContact CE1-CG 4.33Å; Y118-L189 WeakPolarHBondContact CE1-O 3.34Å; Y118-L192 HydrophobicContact CD1-CD1 4.46Å; Y118-L192 HydrophobicContact CD2-CD1 4.28Å; Y118-L192 HydrophobicContact CE1-CD1 3.96Å; Y118-L192 HydrophobicContact CE1-CG 4.46Å; Y118-L192 HydrophobicContact CE2-CB 4.3Å; Y118-L192 HydrophobicContact CE2-CD1 3.76Å; Y118-L192 HydrophobicContact CE2-CG 4.38Å; Y118-L192 PolarHBondContact OH-N 3.5Å
119E92.6Very high90.4Very high87 Ų8748.8 Ų48.841%0.40723%0.231SC..Hα-helixtrans-62.7-37.5175.9-70.6175.8-169.600112.3Q115 Q122 R123Q115-E119 PolarHBondContact NE2-OE1 3.48Å; Q115-E119 PolarHBondContact O-N 2.79Å; E119-Q122 PolarHBondContact O-N 3.03Å; E119-R123 WeakPolarHBondContact O-CG 3.45Å; E119-R123 PolarHBondContact O-N 3.43Å; E119-R123 PolarHBondContact O-NE 3.39Å
120R90.9Very high91Very high21 Ų2147.9 Ų47.98%0.07923%0.227CC..Hα-helixtrans-67.8-41.5175.3-177.5169.3-80.8120.54.2111.4E116 V117 Y118 Q122 R123 L124E116-R120 WeakPolarHBondContact O-CB 3.37Å; E116-R120 PolarHBondContact O-N 2.93Å; E116-R120 IonicContact OE1-CZ 2.73Å; E116-R120 VanDerWaalsContact OE1-CZ 3.28Å; E116-R120 IonicContact OE1-NH1 3.57Å; E116-R120 PolarHBondContact OE1-NH1 2.82Å; E116-R120 IonicContact OE1-NH2 2.75Å; E116-R120 PolarHBondContact OE1-NH2 3.26Å; V117-R120 PolarHBondContact O-N 2.92Å; Y118-R120 VanDerWaalsContact C-N 3.31Å; Y118-R120 PolarHBondContact O-N 3.44Å; R120-Q122 VanDerWaalsContact C-N 3.32Å; R120-Q122 PolarHBondContact O-N 2.77Å; R120-R123 PolarHBondContact O-N 3.45Å; R120-L124 HydrophobicContact CG-CD1 4.22Å; R120-L124 HydrophobicContact CG-CG 4.48Å; R120-L124 VanDerWaalsContact O-CG 3.27Å; R120-L124 WeakPolarHBondContact O-CG 3.38Å; R120-L124 PolarHBondContact O-N 2.83Å
121V92.8Very high91.8Very high6 Ų647.1 Ų47.14%0.03622%0.22CC..Hα-helixtrans-59.8-45.2174.3168.40000110.5V117 Y118 R123 L124 Q125 L189 F202 Y295V117-V121 HydrophobicContact CG1-CG2 4.41Å; V117-V121 VanDerWaalsContact O-CG2 3.3Å; V117-V121 WeakPolarHBondContact O-CG2 3.35Å; V117-V121 PolarHBondContact O-N 3.32Å; Y118-V121 PolarHBondContact O-N 2.63Å; V121-R123 VanDerWaalsContact C-N 3.35Å; V121-R123 PolarHBondContact O-N 2.98Å; V121-L124 WeakPolarHBondContact O-CB 3.44Å; V121-L124 PolarHBondContact O-N 3.24Å; V121-L124 VanDerWaalsContact O-N 3.16Å; V121-Q125 HydrophobicContact CG1-CG 4.44Å; V121-Q125 WeakPolarHBondContact O-CG 3.44Å; V121-Q125 PolarHBondContact O-N 2.73Å; V121-L189 HydrophobicContact CG2-CD2 3.93Å; V121-F202 HydrophobicContact CG2-CE1 3.87Å; V121-F202 HydrophobicContact CG2-CZ 4.26Å; V121-Y295 HydrophobicContact CG1-CE1 4.21Å; V121-Y295 HydrophobicContact CG1-CE2 4.17Å; V121-Y295 WeakPolarHBondContact CG1-OH 3.23Å
122Q93.1Very high92.3Very high103 Ų10347.7 Ų47.748%0.48122%0.22SC..Hα-helixtrans-59.8-44.4176.4-173.6179.4700111.7Y118 E119 R120 L124 Q125 Q126Y118-Q122 PolarHBondContact O-N 2.79Å; E119-Q122 PolarHBondContact O-N 3.03Å; R120-Q122 VanDerWaalsContact C-N 3.32Å; R120-Q122 PolarHBondContact O-N 2.77Å; Q122-L124 PolarHBondContact O-N 3.39Å; Q122-Q125 PolarHBondContact O-N 3.45Å; Q122-Q126 WeakPolarHBondContact O-CG 3.37Å; Q122-Q126 PolarHBondContact O-N 3.24Å
123R93.2Very high92.8Very high97 Ų9747.6 Ų47.637%0.36622%0.219SC..Hα-helixtrans-62.3-40.5174.4-75.3-178.6-76.1129.7-11.1112.5E119 R120 V121 Q125 Q126 A127 V246E119-R123 WeakPolarHBondContact O-CG 3.45Å; E119-R123 PolarHBondContact O-N 3.43Å; E119-R123 PolarHBondContact O-NE 3.39Å; R120-R123 PolarHBondContact O-N 3.45Å; V121-R123 VanDerWaalsContact C-N 3.35Å; V121-R123 PolarHBondContact O-N 2.98Å; R123-Q125 VanDerWaalsContact C-N 3.34Å; R123-Q125 PolarHBondContact O-N 2.83Å; R123-Q126 PolarHBondContact O-N 3.45Å; R123-A127 WeakPolarHBondContact O-CB 3.39Å; R123-A127 PolarHBondContact O-N 2.8Å; R123-V246 HydrophobicContact CB-CG2 4.35Å
124L92.6Very high93Very high3 Ų347 Ų472%0.01622%0.215CC..Hα-helixtrans-64.2-38175.9-71.9168.6000112.2R120 V121 Q122 A127 F202 L243 V246 F248 V297 K299R120-L124 HydrophobicContact CG-CD1 4.22Å; R120-L124 HydrophobicContact CG-CG 4.48Å; R120-L124 VanDerWaalsContact O-CG 3.27Å; R120-L124 WeakPolarHBondContact O-CG 3.38Å; R120-L124 PolarHBondContact O-N 2.83Å; V121-L124 WeakPolarHBondContact O-CB 3.44Å; V121-L124 PolarHBondContact O-N 3.24Å; V121-L124 VanDerWaalsContact O-N 3.16Å; Q122-L124 PolarHBondContact O-N 3.39Å; L124-A127 WeakPolarHBondContact O-CB 3.43Å; L124-A127 PolarHBondContact O-N 2.8Å; L124-F202 HydrophobicContact CD1-CD1 3.94Å; L124-F202 HydrophobicContact CD1-CE1 4.1Å; L124-L243 HydrophobicContact CD2-CD1 3.66Å; L124-V246 HydrophobicContact CD2-CB 4.47Å; L124-V246 HydrophobicContact CD2-CG1 3.68Å; L124-V246 HydrophobicContact CG-CG1 4.23Å; L124-F248 HydrophobicContact CD2-CD2 3.85Å; L124-F248 HydrophobicContact CD2-CE2 4.47Å; L124-V297 HydrophobicContact CB-CG2 4.19Å; L124-V297 HydrophobicContact CD1-CG2 4.28Å; L124-K299 PolarHBondContact O-NZ 3.17Å
125Q92.4Very high93.3Very high56 Ų5646.4 Ų46.426%0.26221%0.212SC..Hα-helixtrans-66.8-37.2175.1-71.3173.4-11.600111.9V121 Q122 R123 Y295 K299V121-Q125 HydrophobicContact CG1-CG 4.44Å; V121-Q125 WeakPolarHBondContact O-CG 3.44Å; V121-Q125 PolarHBondContact O-N 2.73Å; Q122-Q125 PolarHBondContact O-N 3.45Å; R123-Q125 VanDerWaalsContact C-N 3.34Å; R123-Q125 PolarHBondContact O-N 2.83Å; Q125-Y295 PolarHBondContact NE2-OH 3.07Å; Q125-K299 VanDerWaalsContact C-NZ 3.3Å; Q125-K299 PolarHBondContact O-NZ 2.94Å
126Q93.2Very high93.6Very high136 Ų13641.9 Ų41.964%0.63619%0.191SC*.Hα-helixtrans-82.3-13.9177.9-66.9172.5-0.600113.9Q122 R123Q122-Q126 WeakPolarHBondContact O-CG 3.37Å; Q122-Q126 PolarHBondContact O-N 3.24Å; R123-Q126 PolarHBondContact O-N 3.45Å
127A94.1Very high93.8Very high9 Ų938.7 Ų38.77%0.07418%0.176CC..SBendtrans-63.7136.7-17700000112.3R123 L124 P129 L243 V246 K299R123-A127 WeakPolarHBondContact O-CB 3.39Å; R123-A127 PolarHBondContact O-N 2.8Å; L124-A127 WeakPolarHBondContact O-CB 3.43Å; L124-A127 PolarHBondContact O-N 2.8Å; A127-P129 WeakPolarHBondContact O-CD 3.39Å; A127-L243 HydrophobicContact CB-CB 3.9Å; A127-L243 HydrophobicContact CB-CD2 4.32Å; A127-L243 HydrophobicContact CB-CG 4.47Å; A127-V246 HydrophobicContact CB-CB 4.43Å; A127-V246 HydrophobicContact CB-CG2 3.66Å; A127-K299 PolarHBondContact O-NZ 3.47Å
128T93.1Very high94Very high63 Ų6340.4 Ų40.439%0.38718%0.183SC..PPolyproline II helixtrans-71.4119.3174.948.70000109.8K244T128-K244 PolarHBondContact O-N 2.7Å; T128-K244 WeakPolarHBondContact OG1-CB 3.5Å
129P94.5Very high94.2Very high4 Ų439.7 Ų39.73%0.02618%0.182CC..EExtended strand (participates in β ladder)trans-76.7149.5179.828.7-29.5000111.8A127 Y177 V182 M241 L243 K299 F301A127-P129 WeakPolarHBondContact O-CD 3.39Å; P129-Y177 VanDerWaalsContact O-CE1 3.25Å; P129-Y177 WeakPolarHBondContact O-CE1 3.14Å; P129-Y177 VanDerWaalsContact O-CZ 3.28Å; P129-Y177 PolarHBondContact O-OH 2.91Å; P129-V182 HydrophobicContact CG-CG1 4.46Å; P129-V182 HydrophobicContact CG-CG2 3.63Å; P129-M241 HydrophobicContact CB-SD 4.04Å; P129-L243 HydrophobicContact CB-CD2 4.19Å; P129-K299 HydrophobicContact CB-CB 4.29Å; P129-K299 HydrophobicContact CB-CG 3.95Å; P129-K299 HydrophobicContact CG-CB 4.24Å; P129-K299 HydrophobicContact CG-CD 4.34Å; P129-K299 HydrophobicContact CG-CG 4.14Å; P129-F301 HydrophobicContact CB-CZ 3.91Å; P129-F301 HydrophobicContact CG-CE1 4.04Å; P129-F301 HydrophobicContact CG-CZ 3.64Å
130C92.8Very high94.4Very high3 Ų340.6 Ų40.62%0.0218%0.182CC..EExtended strand (participates in β ladder)trans-137105.8175.3-174.20000108.9E174 M241 H242 K244C130-E174 PolarHBondContact SG-OE1 2.87Å; C130-E174 VanDerWaalsContact SG-OE1 3.39Å; C130-E174 PolarHBondContact SG-OE2 2.82Å; C130-M241 WeakPolarHBondContact O-CA 3.4Å; C130-H242 WeakPolarHBondContact CB-CE1 3.36Å; C130-H242 WeakPolarHBondContact CB-NE2 3.46Å; C130-H242 PolarHBondContact N-O 3.48Å; C130-H242 PolarHBondContact O-N 3.17Å; C130-H242 PolarHBondContact SG-CE1 2.97Å; C130-K244 HydrophobicContact CB-CD 4.06Å; C130-K244 HydrophobicContact CB-CG 4.06Å; C130-K244 WeakPolarHBondContact SG-CE 3.4Å; C130-K244 PolarHBondContact SG-NZ 3.39Å
131I95Very high94.6Very high1 Ų141.9 Ų41.91%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-86.1131172.9-57.3164.9000107E174 F175 F206 Y217 G240 M241 F301I131-E174 CarbonylContact O-C 3.56Å; I131-E174 WeakPolarHBondContact O-CA 3.38Å; I131-F175 HydrophobicContact CB-CB 4.03Å; I131-F175 HydrophobicContact CD1-CD1 4.05Å; I131-F175 PolarHBondContact O-N 3.39Å; I131-F206 HydrophobicContact CD1-CB 4.32Å; I131-F206 HydrophobicContact CD1-CD1 4.3Å; I131-F206 HydrophobicContact CD1-CD2 3.65Å; I131-F206 HydrophobicContact CD1-CE2 3.96Å; I131-F206 HydrophobicContact CD1-CG 3.84Å; I131-F206 HydrophobicContact CD1-CZ 4.41Å; I131-F206 HydrophobicContact CG1-CD1 4.33Å; I131-F206 HydrophobicContact CG1-CG 4.33Å; I131-F206 HydrophobicContact CG2-CZ 4.35Å; I131-Y217 HydrophobicContact CG2-CE2 3.7Å; I131-G240 WeakPolarHBondContact CA-O 3.33Å; I131-M241 HydrophobicContact CG1-CB 4.39Å; I131-M241 HydrophobicContact CG1-CG 4.08Å; I131-M241 HydrophobicContact CG1-SD 4.14Å; I131-F301 HydrophobicContact CD1-CD2 4.04Å; I131-F301 HydrophobicContact CD1-CE1 4.25Å; I131-F301 HydrophobicContact CD1-CE2 3.41Å; I131-F301 VanDerWaalsContact CD1-CE2 3.41Å; I131-F301 HydrophobicContact CD1-CZ 3.51Å; I131-F301 HydrophobicContact CG1-CE2 4.25Å; I131-F301 HydrophobicContact CG1-CZ 4.07Å
132W94.8Very high94.7Very high75 Ų7550.7 Ų50.728%0.28423%0.225SC..EExtended strand (participates in β ladder)trans-134.6153.1-174.359.8-88.4000111.2K134 S173 E174 R238 E239 G240 H242W132-K134 HydrophobicContact CE3-CB 4.19Å; W132-K134 HydrophobicContact CZ3-CB 3.93Å; W132-S173 CarbonylContact C-O 3.48Å; W132-S173 WeakPolarHBondContact CA-O 3.49Å; W132-E174 HydrophobicContact CB-CG 4.41Å; W132-R238 HydrophobicContact CH2-CB 4.49Å; W132-R238 HydrophobicContact CZ3-CB 4.11Å; W132-E239 WeakPolarHBondContact O-CA 3.2Å; W132-G240 PolarHBondContact N-O 3.44Å; W132-G240 PolarHBondContact O-N 3.26Å; W132-H242 AromaticContact CD1-ND1 3.16Å; W132-H242 AromaticContact NE1-ND1 3.66Å
133W96.3Very high94.7Very high1 Ų151.2 Ų51.20%0.00422%0.223CC..EExtended strand (participates in β ladder)trans-126.3145.2173.7-46.5-65.8000108.9S172 S173 F175 Y217 Q220 R221 F224 F225 R238W133-S172 CarbonylContact O-C 3.48Å; W133-S172 WeakPolarHBondContact O-CA 3.42Å; W133-S172 WeakPolarHBondContact O-CB 3.38Å; W133-S173 PolarHBondContact N-O 3.29Å; W133-S173 PolarHBondContact O-N 2.99Å; W133-F175 HydrophobicContact CH2-CB 3.75Å; W133-F175 HydrophobicContact CH2-CD2 4.02Å; W133-F175 HydrophobicContact CH2-CG 4.3Å; W133-F175 HydrophobicContact CZ2-CB 4.03Å; W133-F175 HydrophobicContact CZ2-CD2 4.48Å; W133-F175 HydrophobicContact CZ3-CB 4.43Å; W133-Y217 AromaticContact CE2-CE2 3.7Å; W133-Y217 HydrophobicContact CH2-CD2 4.4Å; W133-Y217 HydrophobicContact CH2-CE2 4.46Å; W133-Y217 AromaticContact CZ2-CD2 3.55Å; W133-Y217 HydrophobicContact CZ2-CD2 3.55Å; W133-Y217 AromaticContact CZ2-CE2 3.3Å; W133-Y217 HydrophobicContact CZ2-CE2 3.3Å; W133-Y217 HydrophobicContact CZ2-CG 4.44Å; W133-Y217 AromaticContact NE1-CE2 3.55Å; W133-Y217 AromaticContact NE1-CZ 3.61Å; W133-Y217 PolarHBondContact NE1-OH 2.78Å; W133-Y217 VanDerWaalsContact NE1-OH 3.16Å; W133-Q220 HydrophobicContact CH2-CB 3.67Å; W133-Q220 HydrophobicContact CZ3-CB 4.1Å; W133-R221 HydrophobicContact CD2-CB 4.39Å; W133-R221 HydrophobicContact CD2-CG 4.28Å; W133-R221 HydrophobicContact CG-CG 4.33Å; W133-R221 HydrophobicContact CH2-CB 4.3Å; W133-R221 HydrophobicContact CZ2-CB 3.66Å; W133-R221 HydrophobicContact CZ2-CG 4.25Å; W133-F224 HydrophobicContact CB-CD1 3.7Å; W133-F224 HydrophobicContact CB-CE1 3.7Å; W133-F224 HydrophobicContact CE3-CB 4.49Å; W133-F225 HydrophobicContact CB-CE2 4.11Å; W133-F225 HydrophobicContact CB-CZ 3.82Å; W133-F225 HydrophobicContact CG-CE2 4.24Å; W133-F225 HydrophobicContact CG-CZ 4.39Å; W133-R238 CarbonylContact C-O 3.55Å; W133-R238 WeakPolarHBondContact CA-O 3.42Å
134K96Very high94.7Very high76 Ų7651.6 Ų51.633%0.3324%0.236SC..EExtended strand (participates in β ladder)trans-136.2128.7176.1-176.6177.3-174.3171.30109.2W132 I136 S171 R238W132-K134 HydrophobicContact CE3-CB 4.19Å; W132-K134 HydrophobicContact CZ3-CB 3.93Å; K134-I136 HydrophobicContact CD-CD1 4.3Å; K134-I136 HydrophobicContact CD-CG1 4.39Å; K134-I136 HydrophobicContact CG-CG1 4.18Å; K134-S171 CarbonylContact C-O 3.57Å; K134-S171 VanDerWaalsContact CA-O 3.31Å; K134-S171 WeakPolarHBondContact CA-O 3.23Å; K134-S171 WeakPolarHBondContact CG-O 3.37Å; K134-R238 HydrophobicContact CB-CB 4.23Å; K134-R238 PolarHBondContact N-O 3.32Å; K134-R238 PolarHBondContact O-N 2.8Å
135A96.3Very high94.7Very high0 Ų057.4 Ų57.40%026%0.258CS..EExtended strand (participates in β ladder)trans-110.1128.9174.200000108.4A170 S171 F224 F225 N228 M235A135-A170 WeakPolarHBondContact O-CA 3.33Å; A135-S171 PolarHBondContact N-O 2.78Å; A135-S171 PolarHBondContact O-N 2.74Å; A135-F224 HydrophobicContact CB-CE1 3.92Å; A135-F224 HydrophobicContact CB-CZ 3.98Å; A135-F225 HydrophobicContact CB-CD1 4.16Å; A135-F225 HydrophobicContact CB-CE1 4.18Å; A135-N228 HydrophobicContact CB-CB 3.7Å; A135-M235 HydrophobicContact CB-CG 4.36Å; A135-M235 HydrophobicContact CB-SD 4.02Å
136I96.4Very high94.7Very high9 Ų961.7 Ų61.75%0.04628%0.278CS..EExtended strand (participates in β ladder)trans-123.4108.9176.1-54.3171.2000107.6K134 N167 H169 A170 M235 E236K134-I136 HydrophobicContact CD-CD1 4.3Å; K134-I136 HydrophobicContact CD-CG1 4.39Å; K134-I136 HydrophobicContact CG-CG1 4.18Å; I136-N167 HydrophobicContact CG2-CB 4.09Å; I136-H169 CarbonylContact C-O 3.37Å; I136-H169 WeakPolarHBondContact CA-O 3.28Å; I136-A170 HydrophobicContact CG1-CB 4.34Å; I136-M235 WeakPolarHBondContact O-CA 3.43Å; I136-E236 HydrophobicContact CB-CB 4.37Å; I136-E236 PolarHBondContact N-O 3.27Å; I136-E236 PolarHBondContact O-N 2.96Å
137S96.3Very high94.6Very high0 Ų057.1 Ų57.10%026%0.259CS..EExtended strand (participates in β ladder)trans-86.9135.7176.1-47.20000109.7T168 H169 Y234S137-T168 PolarHBondContact O-N 2.78Å; S137-T168 PolarHBondContact O-OG1 3.23Å; S137-H169 PolarHBondContact N-O 2.91Å; S137-H169 PolarHBondContact O-N 3.22Å; S137-Y234 CarbonylContact C-O 3.58Å; S137-Y234 VanDerWaalsContact CA-O 3.31Å; S137-Y234 WeakPolarHBondContact CA-O 3.31Å
138Y96.5Very high94.4Very high37 Ų3760.1 Ų60.115%0.14528%0.276CS..EExtended strand (participates in β ladder)trans-150.4154.9-175.469.5-87.8000112.2Y140 R165 V166 D232 Y234 E236Y138-Y140 HydrophobicContact CD2-CE2 4.3Å; Y138-Y140 AromaticContact CE2-CE2 3.74Å; Y138-Y140 HydrophobicContact CE2-CE2 3.74Å; Y138-Y140 AromaticContact CE2-CZ 3.94Å; Y138-R165 HydrophobicContact CD2-CG 3.64Å; Y138-R165 HydrophobicContact CE2-CG 4.36Å; Y138-R165 HydrophobicContact CG-CG 4.01Å; Y138-R165 VanDerWaalsContact CG-NE 3.32Å; Y138-V166 VanDerWaalsContact CA-O 3.27Å; Y138-V166 WeakPolarHBondContact CA-O 3.37Å; Y138-V166 WeakPolarHBondContact CB-O 3.38Å; Y138-D232 WeakPolarHBondContact CA-OD2 3.28Å; Y138-Y234 HydrophobicContact CD2-CD2 4.28Å; Y138-Y234 HydrophobicContact CD2-CG 4.49Å; Y138-Y234 AromaticContact CE2-CD2 3.98Å; Y138-Y234 HydrophobicContact CE2-CD2 3.98Å; Y138-Y234 AromaticContact CE2-CG 3.95Å; Y138-Y234 HydrophobicContact CE2-CG 3.95Å; Y138-Y234 VanDerWaalsContact CZ-CB 3.43Å; Y138-Y234 PolarHBondContact N-O 2.88Å; Y138-Y234 WeakPolarHBondContact O-CA 3.36Å; Y138-Y234 WeakPolarHBondContact O-CB 3.26Å; Y138-Y234 PolarHBondContact O-N 3.32Å; Y138-E236 HydrophobicContact CD1-CB 4.43Å; Y138-E236 HydrophobicContact CE1-CB 3.99Å
139H96.3Very high94.2Very high47 Ų4763.1 Ų63.122%0.21828%0.281CS..EExtended strand (participates in β ladder)trans-133.2169.7167.461.8-83.6000110.6V141 V166 T168 D232 D233H139-V141 VanDerWaalsContact CD2-CG2 3.5Å; H139-V141 WeakPolarHBondContact CD2-CG2 3.43Å; H139-V141 VanDerWaalsContact NE2-CG2 3.27Å; H139-V141 WeakPolarHBondContact NE2-CG2 3.47Å; H139-V166 PolarHBondContact N-O 3.24Å; H139-V166 PolarHBondContact O-N 3.19Å; H139-T168 WeakPolarHBondContact CE1-CG2 3.35Å; H139-T168 VanDerWaalsContact ND1-CG2 3.3Å; H139-T168 WeakPolarHBondContact ND1-CG2 3.27Å; H139-D232 WeakPolarHBondContact CB-OD1 3.25Å; H139-D232 IonicContact CE1-OD2 3.92Å; H139-D232 IonicContact CG-OD1 3.68Å; H139-D232 IonicContact CG-OD2 3.07Å; H139-D232 PolarHBondContact N-OD2 2.7Å; H139-D232 IonicContact ND1-OD1 2.66Å; H139-D232 PolarHBondContact ND1-OD1 3.29Å; H139-D232 IonicContact ND1-OD2 2.88Å; H139-D232 PolarHBondContact ND1-OD2 2.86Å; H139-D233 HydrophobicContact CB-CB 3.99Å; H139-D233 WeakPolarHBondContact CB-OD2 3.23Å
140Y96.1Very high94.1Very high106 Ų10671.3 Ų71.342%0.41631%0.312SS..EExtended strand (participates in β ladder)trans-102117.7177.7-72.2-79.1000110.7Y138 H163 E164 R165 Y234Y138-Y140 HydrophobicContact CD2-CE2 4.3Å; Y138-Y140 AromaticContact CE2-CE2 3.74Å; Y138-Y140 HydrophobicContact CE2-CE2 3.74Å; Y138-Y140 AromaticContact CE2-CZ 3.94Å; Y140-H163 HydrophobicContact CD1-CB 4.15Å; Y140-H163 HydrophobicContact CG-CB 4.48Å; Y140-E164 WeakPolarHBondContact CA-O 3.3Å; Y140-R165 HydrophobicContact CD1-CB 4.16Å; Y140-R165 HydrophobicContact CE1-CB 3.79Å; Y140-Y234 HydrophobicContact CD2-CD2 4.07Å; Y140-Y234 AromaticContact CD2-CE2 3.7Å; Y140-Y234 HydrophobicContact CD2-CE2 3.7Å; Y140-Y234 HydrophobicContact CE2-CD2 4.13Å; Y140-Y234 AromaticContact CE2-CE2 3.99Å; Y140-Y234 HydrophobicContact CE2-CE2 3.99Å
141V95.5Very high93.8Very high48 Ų4879.6 Ų79.629%0.29134%0.343SS..EExtended strand (participates in β ladder)trans-92.6132174.9-178.70000109.2H139 R143 H163 E164 V166H139-V141 VanDerWaalsContact CD2-CG2 3.5Å; H139-V141 WeakPolarHBondContact CD2-CG2 3.43Å; H139-V141 VanDerWaalsContact NE2-CG2 3.27Å; H139-V141 WeakPolarHBondContact NE2-CG2 3.47Å; V141-R143 HydrophobicContact CG1-CG 4.26Å; V141-R143 PolarHBondContact O-N 3.42Å; V141-H163 WeakPolarHBondContact O-CA 3.49Å; V141-E164 PolarHBondContact N-O 3.19Å; V141-E164 PolarHBondContact O-N 3.07Å; V141-V166 HydrophobicContact CB-CG2 4.17Å; V141-V166 HydrophobicContact CG2-CB 4.25Å; V141-V166 HydrophobicContact CG2-CG2 3.68Å
142R94.6Very high93.4Very high191 Ų19187.1 Ų87.172%0.72138%0.383SS*.EExtended strand (participates in β ladder)trans-75.7118.5171.2-67.5-179.1177.7-160.3-2.3109.3V161 Y162R142-V161 HydrophobicContact CB-CG1 4.25Å; R142-Y162 WeakPolarHBondContact CA-O 3.06Å
143R93.6Very high92.9Very high114 Ų11486.7 Ų86.743%0.4340%0.402SS..EExtended strand (participates in β ladder)trans-119.6155.2171.9-64.5-163.2-178.9171.8-8110.6V141 V161 Y162 E164V141-R143 HydrophobicContact CG1-CG 4.26Å; V141-R143 PolarHBondContact O-N 3.42Å; R143-V161 WeakPolarHBondContact O-CA 3.42Å; R143-Y162 HydrophobicContact CB-CD1 4.46Å; R143-Y162 HydrophobicContact CB-CE1 3.84Å; R143-Y162 HydrophobicContact CB-CE2 4.43Å; R143-Y162 PolarHBondContact N-O 2.87Å; R143-Y162 WeakPolarHBondContact O-CD1 3.24Å; R143-Y162 PolarHBondContact O-N 3.26Å; R143-E164 WeakPolarHBondContact CD-OE2 3.48Å; R143-E164 IonicContact CZ-OE1 2.87Å; R143-E164 IonicContact CZ-OE2 3.72Å; R143-E164 IonicContact NE-OE2 3.24Å; R143-E164 PolarHBondContact NE-OE2 2.93Å; R143-E164 IonicContact NH1-OE1 3.32Å; R143-E164 PolarHBondContact NH1-OE1 2.91Å; R143-E164 IonicContact NH1-OE2 2.73Å; R143-E164 PolarHBondContact NH1-OE2 3.45Å
144T92.7Very high92.5Very high104 Ų10492.7 Ų92.764%0.63843%0.434SS*.EExtended strand (participates in β ladder)trans-108.6135.3175.450.40000109.3Q160 V161T144-Q160 WeakPolarHBondContact CA-O 3.28Å; T144-V161 HydrophobicContact CG2-CG2 4Å
145R91.8Very high92.1Very high126 Ų12692.1 Ų92.148%0.47544%0.444SS..EExtended strand (participates in β ladder)trans-124.5146.4167.363.6-179.7-174.4-171.70.5109.8V147 Q160 Y162R145-V147 HydrophobicContact CG-CG2 3.89Å; R145-Q160 HydrophobicContact CG-CB 4.42Å; R145-Q160 PolarHBondContact N-O 3.02Å; R145-Q160 VanDerWaalsContact NH2-OE1 3.15Å; R145-Q160 PolarHBondContact O-N 3.39Å; R145-Y162 HydrophobicContact CB-CD1 4.36Å; R145-Y162 HydrophobicContact CB-CE1 3.87Å; R145-Y162 HydrophobicContact CG-CD1 3.84Å; R145-Y162 HydrophobicContact CG-CE1 3.81Å
146Q92.6Very high91.8Very high146 Ų14696.8 Ų96.868%0.68246%0.462SS*.EExtended strand (participates in β ladder)trans-80.6123.6170.1-66.9-169.4-12.300108.6
147V91.3Very high91.5Very high40 Ų40100.8 Ų100.824%0.24249%0.487CS..EExtended strand (participates in β ladder)trans-117.3119175.6-176.70000107.9R145 R149 T158 Q160R145-V147 HydrophobicContact CG-CG2 3.89Å; V147-R149 PolarHBondContact O-N 3.13Å; V147-T158 PolarHBondContact N-O 2.59Å; V147-T158 PolarHBondContact O-N 3.21Å; V147-T158 PolarHBondContact O-OG1 3.4Å; V147-Q160 HydrophobicContact CG2-CB 3.87Å
148T90.4Very high91.3Very high72 Ų72102.4 Ų102.444%0.44250%0.497SS..EExtended strand (participates in β ladder)trans-71.4119.9172.9-48.10000108.8A155T148-A155 HydrophobicContact CG2-CB 3.72Å
149R88.8Confident91.1Very high126 Ų126105.9 Ų105.948%0.47552%0.522SS..EExtended strand (participates in β ladder)trans-111.1151.2172-67.4-172-176.3-145.7-0.3108.7V147 Y156V147-R149 PolarHBondContact O-N 3.13Å; R149-Y156 HydrophobicContact CB-CD1 4.43Å; R149-Y156 HydrophobicContact CB-CE1 3.74Å; R149-Y156 HydrophobicContact CB-CE2 4.28Å; R149-Y156 PolarHBondContact N-O 3.41Å; R149-Y156 WeakPolarHBondContact O-CD1 3.37Å; R149-Y156 WeakPolarHBondContact O-CE1 3.43Å; R149-Y156 PolarHBondContact O-N 2.92Å
150Y91.4Very high90.9Very high175 Ų175106.8 Ų106.869%0.68653%0.527SS*.EExtended strand (participates in β ladder)trans-105.7127.4175.8-64-88.4000108.7D154 A155Y150-D154 WeakPolarHBondContact CA-O 3.4Å; Y150-A155 HydrophobicContact CD1-CB 4.15Å; Y150-A155 HydrophobicContact CE1-CB 3.78Å
151R88.2Confident90.8Very high178 Ų178105.8 Ų105.867%0.67253%0.532SS*.EExtended strand (participates in β ladder)trans-132.8123170.1-176.6175.7-173.8-1791.3106.8G153 D154 Y156R151-G153 PolarHBondContact O-N 3.33Å; R151-G153 VanDerWaalsContact O-N 3.17Å; R151-D154 PolarHBondContact N-O 3.03Å; R151-D154 PolarHBondContact O-N 3.17Å; R151-Y156 HydrophobicContact CB-CD1 4.13Å; R151-Y156 HydrophobicContact CB-CE1 3.43Å; R151-Y156 VanDerWaalsContact CB-CE1 3.43Å
152N85.1Confident90.6Very high159 Ų159107 Ų10785%0.8553%0.532SS*.THydrogen-bonded Turntrans5627.2-177.8-54.7-9.8000114.8
153G85.9Confident90.5Very high66 Ų66102.9 Ų102.968%0.6852%0.52SS*.THydrogen-bonded Turntrans92.5-15.3179.300000115.2R151R151-G153 PolarHBondContact O-N 3.33Å; R151-G153 VanDerWaalsContact O-N 3.17Å
154D87.8Confident90.5Very high126 Ų126100.7 Ų100.767%0.67452%0.515SS*.EExtended strand (participates in β ladder)trans-89.9135.7176.6-67-30.1000111.5Y150 R151Y150-D154 WeakPolarHBondContact CA-O 3.4Å; R151-D154 PolarHBondContact N-O 3.03Å; R151-D154 PolarHBondContact O-N 3.17Å
155A87.5Confident90.5Very high65 Ų6599.8 Ų99.854%0.53750%0.5SS..EExtended strand (participates in β ladder)trans-83.8118175.500000110.1T148 Y150T148-A155 HydrophobicContact CG2-CB 3.72Å; Y150-A155 HydrophobicContact CD1-CB 4.15Å; Y150-A155 HydrophobicContact CE1-CB 3.78Å
156Y89.9Confident90.7Very high97 Ų9795.9 Ų95.938%0.3849%0.49SS..EExtended strand (participates in β ladder)trans-122.5137.5172.968.7-74.8000110.5R149 R151 T158R149-Y156 HydrophobicContact CB-CD1 4.43Å; R149-Y156 HydrophobicContact CB-CE1 3.74Å; R149-Y156 HydrophobicContact CB-CE2 4.28Å; R149-Y156 PolarHBondContact N-O 3.41Å; R149-Y156 WeakPolarHBondContact O-CD1 3.37Å; R149-Y156 WeakPolarHBondContact O-CE1 3.43Å; R149-Y156 PolarHBondContact O-N 2.92Å; R151-Y156 HydrophobicContact CB-CD1 4.13Å; R151-Y156 HydrophobicContact CB-CE1 3.43Å; R151-Y156 VanDerWaalsContact CB-CE1 3.43Å; Y156-T158 HydrophobicContact CD2-CG2 3.48Å; Y156-T158 VanDerWaalsContact CD2-CG2 3.48Å; Y156-T158 HydrophobicContact CE2-CG2 3.15Å
157T90.4Very high90.8Very high94 Ų9493.3 Ų93.358%0.57748%0.48SS*.EExtended strand (participates in β ladder)trans-86.5116.7-179.552.60000110.1
158T91.4Very high91Very high34 Ų3494.9 Ų94.921%0.20949%0.49CS..EExtended strand (participates in β ladder)trans-104142.2173.859.40000110.7V147 Y156V147-T158 PolarHBondContact N-O 2.59Å; V147-T158 PolarHBondContact O-N 3.21Å; V147-T158 PolarHBondContact O-OG1 3.4Å; Y156-T158 HydrophobicContact CD2-CG2 3.48Å; Y156-T158 VanDerWaalsContact CD2-CG2 3.48Å; Y156-T158 HydrophobicContact CE2-CG2 3.15Å
159T91.4Very high91.3Very high110 Ų11095.1 Ų95.168%0.67549%0.486SS*.EExtended strand (participates in β ladder)trans-82116.517246.50000109.5
160Q92.8Very high91.6Very high65 Ų6592 Ų9230%0.30449%0.488SS..EExtended strand (participates in β ladder)trans-103.5124.1173.2-172.8-18025.600109.2T144 R145 V147T144-Q160 WeakPolarHBondContact CA-O 3.28Å; R145-Q160 HydrophobicContact CG-CB 4.42Å; R145-Q160 PolarHBondContact N-O 3.02Å; R145-Q160 VanDerWaalsContact NH2-OE1 3.15Å; R145-Q160 PolarHBondContact O-N 3.39Å; V147-Q160 HydrophobicContact CG2-CB 3.87Å
161V93.3Very high91.8Very high86 Ų8684.9 Ų84.952%0.52146%0.463SS..EExtended strand (participates in β ladder)trans-82.4131.6168.6-1750000108.3R142 R143 T144R142-V161 HydrophobicContact CB-CG1 4.25Å; R143-V161 WeakPolarHBondContact O-CA 3.42Å; T144-V161 HydrophobicContact CG2-CG2 4Å
162Y91.6Very high92.2Very high74 Ų7480.8 Ų80.829%0.2946%0.462SS..EExtended strand (participates in β ladder)trans-135.4159.3172.271.1-78.4000110.3R142 R143 R145 E164R142-Y162 WeakPolarHBondContact CA-O 3.06Å; R143-Y162 HydrophobicContact CB-CD1 4.46Å; R143-Y162 HydrophobicContact CB-CE1 3.84Å; R143-Y162 HydrophobicContact CB-CE2 4.43Å; R143-Y162 PolarHBondContact N-O 2.87Å; R143-Y162 WeakPolarHBondContact O-CD1 3.24Å; R143-Y162 PolarHBondContact O-N 3.26Å; R145-Y162 HydrophobicContact CB-CD1 4.36Å; R145-Y162 HydrophobicContact CB-CE1 3.87Å; R145-Y162 HydrophobicContact CG-CD1 3.84Å; R145-Y162 HydrophobicContact CG-CE1 3.81Å; Y162-E164 HydrophobicContact CD2-CB 4.49Å; Y162-E164 HydrophobicContact CE2-CB 4.03Å
163H92.9Very high92.7Very high104 Ų10475.3 Ų75.348%0.48144%0.436SS..EExtended strand (participates in β ladder)trans-101.2124.4177.3-67.577.8000109.2Y140 V141Y140-H163 HydrophobicContact CD1-CB 4.15Å; Y140-H163 HydrophobicContact CG-CB 4.48Å; V141-H163 WeakPolarHBondContact O-CA 3.49Å
164E93.1Very high93.2Very high67 Ų6776.7 Ų76.731%0.31343%0.425SS..EExtended strand (participates in β ladder)trans-108.6131.5175.9-170.7-179.416000108.9Y140 V141 R143 Y162 V166Y140-E164 WeakPolarHBondContact CA-O 3.3Å; V141-E164 PolarHBondContact N-O 3.19Å; V141-E164 PolarHBondContact O-N 3.07Å; R143-E164 WeakPolarHBondContact CD-OE2 3.48Å; R143-E164 IonicContact CZ-OE1 2.87Å; R143-E164 IonicContact CZ-OE2 3.72Å; R143-E164 IonicContact NE-OE2 3.24Å; R143-E164 PolarHBondContact NE-OE2 2.93Å; R143-E164 IonicContact NH1-OE1 3.32Å; R143-E164 PolarHBondContact NH1-OE1 2.91Å; R143-E164 IonicContact NH1-OE2 2.73Å; R143-E164 PolarHBondContact NH1-OE2 3.45Å; Y162-E164 HydrophobicContact CD2-CB 4.49Å; Y162-E164 HydrophobicContact CE2-CB 4.03Å; E164-V166 PolarHBondContact O-N 2.88Å
165R93.9Very high93.5Very high86 Ų8671 Ų7133%0.32539%0.394SS..EExtended strand (participates in β ladder)trans-72.9123.3174.1173.4175.4169.1179.22.6108.9Y138 Y140 N167 E236Y138-R165 HydrophobicContact CD2-CG 3.64Å; Y138-R165 HydrophobicContact CE2-CG 4.36Å; Y138-R165 HydrophobicContact CG-CG 4.01Å; Y138-R165 VanDerWaalsContact CG-NE 3.32Å; Y140-R165 HydrophobicContact CD1-CB 4.16Å; Y140-R165 HydrophobicContact CE1-CB 3.79Å; R165-N167 PolarHBondContact NE-OD1 3.19Å; R165-N167 PolarHBondContact NH2-OD1 3.33Å; R165-E236 IonicContact CZ-OE2 3.26Å; R165-E236 VanDerWaalsContact CZ-OE2 3.22Å; R165-E236 IonicContact NH1-OE2 3.99Å; R165-E236 PolarHBondContact NH1-OE2 3.45Å; R165-E236 IonicContact NH2-OE2 2.64Å; R165-E236 PolarHBondContact NH2-OE2 3.43Å
166V94.9Very high93.8Very high44 Ų4472.3 Ų72.327%0.26739%0.392SS..EExtended strand (participates in β ladder)trans-114.4121.1173.4-178.10000108.5Y138 H139 V141 E164Y138-V166 VanDerWaalsContact CA-O 3.27Å; Y138-V166 WeakPolarHBondContact CA-O 3.37Å; Y138-V166 WeakPolarHBondContact CB-O 3.38Å; H139-V166 PolarHBondContact N-O 3.24Å; H139-V166 PolarHBondContact O-N 3.19Å; V141-V166 HydrophobicContact CB-CG2 4.17Å; V141-V166 HydrophobicContact CG2-CB 4.25Å; V141-V166 HydrophobicContact CG2-CG2 3.68Å; E164-V166 PolarHBondContact O-N 2.88Å
167N95.6Very high94Very high91 Ų9170 Ų7049%0.48738%0.383SS..EExtended strand (participates in β ladder)trans-81.3119.7173.3-63.1-25.5000108.5I136 R165I136-N167 HydrophobicContact CG2-CB 4.09Å; R165-N167 PolarHBondContact NE-OD1 3.19Å; R165-N167 PolarHBondContact NH2-OD1 3.33Å
168T95.9Very high94Very high73 Ų7369.5 Ų69.545%0.44839%0.388SS..EExtended strand (participates in β ladder)trans-94.4-36-178.648.50000112S137 H139 D232S137-T168 PolarHBondContact O-N 2.78Å; S137-T168 PolarHBondContact O-OG1 3.23Å; H139-T168 WeakPolarHBondContact CE1-CG2 3.35Å; H139-T168 VanDerWaalsContact ND1-CG2 3.3Å; H139-T168 WeakPolarHBondContact ND1-CG2 3.27Å; T168-D232 WeakPolarHBondContact CB-OD2 3.32Å; T168-D232 WeakPolarHBondContact CG2-OD2 3.46Å; T168-D232 PolarHBondContact OG1-OD2 3.5Å
169H94.9Very high93.8Very high77 Ų7777.5 Ų77.536%0.35642%0.415SS..EExtended strand (participates in β ladder)trans-144.2140.7-176.5-177.3-106000110.8I136 S137 N228 L231I136-H169 CarbonylContact C-O 3.37Å; I136-H169 WeakPolarHBondContact CA-O 3.28Å; S137-H169 PolarHBondContact N-O 2.91Å; S137-H169 PolarHBondContact O-N 3.22Å; H169-N228 PolarHBondContact CE1-OD1 2.75Å; H169-N228 VanDerWaalsContact CE1-OD1 3.26Å; H169-L231 WeakPolarHBondContact ND1-CD1 3.35Å
170A95.9Very high93.7Very high62 Ų6274.4 Ų74.451%0.51239%0.391SS..EExtended strand (participates in β ladder)trans-139.7125.4173.200000109.5A135 I136A135-A170 WeakPolarHBondContact O-CA 3.33Å; I136-A170 HydrophobicContact CG1-CB 4.34Å
171S96.1Very high93.6Very high25 Ų2573 Ų7318%0.17539%0.394CS..EExtended strand (participates in β ladder)trans-129.8154176.767.10000110.2K134 A135 F224 N228K134-S171 CarbonylContact C-O 3.57Å; K134-S171 VanDerWaalsContact CA-O 3.31Å; K134-S171 WeakPolarHBondContact CA-O 3.23Å; K134-S171 WeakPolarHBondContact CG-O 3.37Å; A135-S171 PolarHBondContact N-O 2.78Å; A135-S171 PolarHBondContact O-N 2.74Å; S171-F224 WeakPolarHBondContact OG-CZ 3.41Å; S171-N228 PolarHBondContact OG-ND2 2.91Å; S171-N228 VanDerWaalsContact OG-ND2 3.11Å; S171-N228 PolarHBondContact OG-OD1 3.26Å
172S95.8Very high93.5Very high91 Ų9171.9 Ų71.964%0.63639%0.387SS*.EExtended strand (participates in β ladder)trans-140.6147.3175.155.90000110.8W133W133-S172 CarbonylContact O-C 3.48Å; W133-S172 WeakPolarHBondContact O-CA 3.42Å; W133-S172 WeakPolarHBondContact O-CB 3.38Å
173S95.9Very high93.5Very high45 Ų4572.9 Ų72.932%0.31539%0.393SS..EExtended strand (participates in β ladder)trans-140.8155.5177.8-175.70000110.4W132 W133W132-S173 CarbonylContact C-O 3.48Å; W132-S173 WeakPolarHBondContact CA-O 3.49Å; W133-S173 PolarHBondContact N-O 3.29Å; W133-S173 PolarHBondContact O-N 2.99Å
174E95.8Very high93.5Very high94 Ų9470.1 Ų70.144%0.43938%0.382SS..EExtended strand (participates in β ladder)trans-113.3148.5179.1-60.8-175.2170.800109.7C130 I131 W132 D176 H242 K244C130-E174 PolarHBondContact SG-OE1 2.87Å; C130-E174 VanDerWaalsContact SG-OE1 3.39Å; C130-E174 PolarHBondContact SG-OE2 2.82Å; I131-E174 CarbonylContact O-C 3.56Å; I131-E174 WeakPolarHBondContact O-CA 3.38Å; W132-E174 HydrophobicContact CB-CG 4.41Å; E174-D176 PolarHBondContact O-N 3.38Å; E174-H242 IonicContact OE1-CE1 2.74Å; E174-K244 IonicContact OE1-NZ 2.66Å; E174-K244 IonicContact OE2-NZ 2.72Å; E174-K244 PolarHBondContact OE2-NZ 3.38Å
175F95.1Very high93.5Very high7 Ų769.6 Ų69.63%0.03138%0.383CS..  trans-71.8118.6174.2176-133.2000110.2I131 W133 Y177 Y180 F208 Y217 F301I131-F175 HydrophobicContact CB-CB 4.03Å; I131-F175 HydrophobicContact CD1-CD1 4.05Å; I131-F175 PolarHBondContact O-N 3.39Å; W133-F175 HydrophobicContact CH2-CB 3.75Å; W133-F175 HydrophobicContact CH2-CD2 4.02Å; W133-F175 HydrophobicContact CH2-CG 4.3Å; W133-F175 HydrophobicContact CZ2-CB 4.03Å; W133-F175 HydrophobicContact CZ2-CD2 4.48Å; W133-F175 HydrophobicContact CZ3-CB 4.43Å; F175-Y177 HydrophobicContact CD1-CD1 4.07Å; F175-Y177 HydrophobicContact CD1-CG 4.45Å; F175-Y177 VanDerWaalsContact O-CD1 3.3Å; F175-Y177 WeakPolarHBondContact O-CD1 3.4Å; F175-Y177 PolarHBondContact O-N 3.07Å; F175-Y180 HydrophobicContact CZ-CD2 4.4Å; F175-F208 HydrophobicContact CE1-CE1 4.02Å; F175-F208 HydrophobicContact CZ-CE1 4.38Å; F175-Y217 HydrophobicContact CB-CD2 4.31Å; F175-Y217 HydrophobicContact CD1-CD2 4.05Å; F175-Y217 AromaticContact CD2-CD2 3.99Å; F175-Y217 HydrophobicContact CD2-CD2 3.99Å; F175-Y217 HydrophobicContact CE1-CD2 4.36Å; F175-Y217 VanDerWaalsContact CE2-CA 3.41Å; F175-Y217 HydrophobicContact CE2-CD2 4.34Å; F175-Y217 AromaticContact CG-CD2 3.85Å; F175-Y217 HydrophobicContact CG-CD2 3.85Å; F175-F301 HydrophobicContact CE1-CD1 4.27Å
176D94.4Very high93.4Very high92 Ų9266.1 Ų66.149%0.49237%0.372SS..  trans-82.1103.8170.9-179.810.9000110E174 A178 Q220E174-D176 PolarHBondContact O-N 3.38Å; D176-A178 VanDerWaalsContact OD1-CB 3.27Å; D176-A178 WeakPolarHBondContact OD1-CB 3.44Å; D176-A178 PolarHBondContact OD1-N 3.29Å; D176-Q220 PolarHBondContact O-NE2 2.95Å; D176-Q220 VanDerWaalsContact O-NE2 3.12Å
177Y92.5Very high93.3Very high49 Ų4969 Ų6919%0.19238%0.381CS..  trans-105.211.1177.959.9-96.2000113.7P129 F175 R179 Y180 G181 V182 F301P129-Y177 VanDerWaalsContact O-CE1 3.25Å; P129-Y177 WeakPolarHBondContact O-CE1 3.14Å; P129-Y177 VanDerWaalsContact O-CZ 3.28Å; P129-Y177 PolarHBondContact O-OH 2.91Å; F175-Y177 HydrophobicContact CD1-CD1 4.07Å; F175-Y177 HydrophobicContact CD1-CG 4.45Å; F175-Y177 VanDerWaalsContact O-CD1 3.3Å; F175-Y177 WeakPolarHBondContact O-CD1 3.4Å; F175-Y177 PolarHBondContact O-N 3.07Å; Y177-R179 PolarHBondContact O-N 3.04Å; Y177-Y180 PolarHBondContact O-N 3.28Å; Y177-G181 PolarHBondContact O-N 3.03Å; Y177-V182 HydrophobicContact CD2-CB 4.4Å; Y177-V182 HydrophobicContact CD2-CG1 4.49Å; Y177-V182 HydrophobicContact CE2-CB 4.29Å; Y177-V182 HydrophobicContact CE2-CG1 3.97Å; Y177-F301 HydrophobicContact CD1-CD1 4.29Å; Y177-F301 AromaticContact CD1-CE1 3.65Å; Y177-F301 HydrophobicContact CD1-CE1 3.65Å; Y177-F301 HydrophobicContact CD2-CD1 4.25Å; Y177-F301 HydrophobicContact CD2-CE1 4.01Å; Y177-F301 AromaticContact CE1-CE1 3.98Å; Y177-F301 HydrophobicContact CE1-CE1 3.98Å; Y177-F301 HydrophobicContact CE2-CE1 4.34Å; Y177-F301 AromaticContact CG-CD1 3.9Å; Y177-F301 HydrophobicContact CG-CD1 3.9Å; Y177-F301 AromaticContact CG-CE1 3.66Å; Y177-F301 HydrophobicContact CG-CE1 3.66Å
178A90.4Very high93.1Very high83 Ų8370.4 Ų70.469%0.68639%0.385SS*.THydrogen-bonded Turntrans-56.1-29.5-17500000113.4D176D176-A178 VanDerWaalsContact OD1-CB 3.27Å; D176-A178 WeakPolarHBondContact OD1-CB 3.44Å; D176-A178 PolarHBondContact OD1-N 3.29Å
179R88.4Confident92.8Very high202 Ų20267.4 Ų67.476%0.76237%0.366SS*.THydrogen-bonded Turntrans-86.1-10.2179.3-60.5-173.9-172.6-156.50.7115.1Y177Y177-R179 PolarHBondContact O-N 3.04Å
180Y88.3Confident92.6Very high45 Ų4566.5 Ų66.518%0.17636%0.363CS..THydrogen-bonded Turntrans-113.8-15.1-172.4-58.8-67.9000112.8F175 Y177 R212 A213 A216 G302 E303F175-Y180 HydrophobicContact CZ-CD2 4.4Å; Y177-Y180 PolarHBondContact O-N 3.28Å; Y180-R212 HydrophobicContact CE1-CB 4.43Å; Y180-R212 HydrophobicContact CE1-CG 3.8Å; Y180-A213 HydrophobicContact CD1-CB 3.95Å; Y180-A213 HydrophobicContact CG-CB 3.92Å; Y180-A216 HydrophobicContact CD2-CB 4.35Å; Y180-A216 HydrophobicContact CE1-CB 4.31Å; Y180-A216 HydrophobicContact CE2-CB 3.39Å; Y180-A216 WeakPolarHBondContact OH-CB 3.21Å; Y180-G302 CarbonylContact O-C 3.08Å; Y180-G302 WeakPolarHBondContact O-CA 3.25Å; Y180-G302 PolarHBondContact O-N 2.97Å; Y180-E303 PolarHBondContact O-N 3.47Å; Y180-E303 VanDerWaalsContact O-N 3.1Å
181G90.1Very high92.2Very high35 Ų3565.3 Ų65.336%0.36135%0.348SS..  trans68.8171.3-177.600000113.2Y177 G302Y177-G181 PolarHBondContact O-N 3.03Å; G181-G302 PolarHBondContact O-N 3.21Å
182V92.2Very high91.9Very high63 Ų6364.1 Ų64.138%0.38234%0.34SS..EExtended strand (participates in β ladder)trans-147139179.365.40000110.8P129 Y177 K299 L300 F301P129-V182 HydrophobicContact CG-CG1 4.46Å; P129-V182 HydrophobicContact CG-CG2 3.63Å; Y177-V182 HydrophobicContact CD2-CB 4.4Å; Y177-V182 HydrophobicContact CD2-CG1 4.49Å; Y177-V182 HydrophobicContact CE2-CB 4.29Å; Y177-V182 HydrophobicContact CE2-CG1 3.97Å; V182-K299 HydrophobicContact CG2-CB 4.45Å; V182-L300 WeakPolarHBondContact CA-O 3.36Å; V182-F301 HydrophobicContact CB-CD1 4.18Å; V182-F301 HydrophobicContact CB-CE1 4.19Å; V182-F301 HydrophobicContact CG2-CD1 4Å; V182-F301 HydrophobicContact CG2-CE1 3.81Å; V182-F301 HydrophobicContact CG2-CG 4.5Å; V182-F301 HydrophobicContact CG2-CZ 4.13Å
183K92.5Very high91.5Very high96 Ų9666.9 Ų66.942%0.41734%0.343SS..EExtended strand (participates in β ladder)trans-129.9143.3177.4-171.3173.5-177.7176.60109.6L300 E304K183-L300 PolarHBondContact N-O 3.06Å; K183-L300 PolarHBondContact O-N 3.01Å; K183-E304 IonicContact NZ-OE1 2.75Å; K183-E304 PolarHBondContact NZ-OE1 3.01Å; K183-E304 IonicContact NZ-OE2 3.17Å; K183-E304 PolarHBondContact NZ-OE2 2.79Å
184D92.4Very high91.1Very high46 Ų4673.1 Ų73.125%0.24636%0.359CS..EExtended strand (participates in β ladder)trans-85.5129.2170.5-168.4-86.5000109.6S186 K299D184-S186 VanDerWaalsContact CG-OG 3.27Å; D184-S186 WeakPolarHBondContact OD1-CB 3.5Å; D184-S186 PolarHBondContact OD1-N 3.49Å; D184-S186 PolarHBondContact OD1-OG 3.47Å; D184-S186 PolarHBondContact OD2-OG 3.39Å; D184-K299 HydrophobicContact CB-CD 4.5Å; D184-K299 WeakPolarHBondContact OD2-CD 3.44Å; D184-K299 WeakPolarHBondContact OD2-CE 3.25Å; D184-K299 IonicContact OD2-NZ 3.83Å; D184-K299 PolarHBondContact OD2-NZ 3.37Å
185V92.3Very high90.8Very high55 Ų5570.1 Ų70.133%0.33335%0.345SS..  trans-120.821.7175.2-63.60000111.3E298 L300V185-E298 HydrophobicContact CG2-CB 3.78Å; V185-E298 PolarHBondContact N-O 3.01Å; V185-L300 HydrophobicContact CG1-CB 3.9Å; V185-L300 HydrophobicContact CG1-CD2 3.76Å; V185-L300 HydrophobicContact CG1-CG 4.49Å; V185-L300 HydrophobicContact CG2-CB 3.96Å
186S92.9Very high90.4Very high14 Ų1472 Ų7210%0.09836%0.358CS..PPolyproline II helixtrans-61.8140.8177.8-50.90000109.9D184 Y295 V297 E298D184-S186 VanDerWaalsContact CG-OG 3.27Å; D184-S186 WeakPolarHBondContact OD1-CB 3.5Å; D184-S186 PolarHBondContact OD1-N 3.49Å; D184-S186 PolarHBondContact OD1-OG 3.47Å; D184-S186 PolarHBondContact OD2-OG 3.39Å; S186-Y295 VanDerWaalsContact CB-OH 3.32Å; S186-Y295 WeakPolarHBondContact CB-OH 3.21Å; S186-V297 WeakPolarHBondContact OG-CA 3.27Å; S186-E298 PolarHBondContact OG-N 2.91Å
187K91.8Very high90.2Very high103 Ų10367.7 Ų67.745%0.44834%0.335SS..PPolyproline II helixtrans-68.6141.4178.8-67173.6-174.9168.50109.8Q2 L189 Y295Q2-K187 HydrophobicContact CB-CB 3.99Å; Q2-K187 HydrophobicContact CB-CD 4.41Å; K187-L189 PolarHBondContact O-N 2.85Å; K187-Y295 WeakPolarHBondContact O-CE2 3.27Å; K187-Y295 PolarHBondContact O-OH 3.37Å; K187-Y295 VanDerWaalsContact O-OH 3.1Å
188E90.9Very high90.2Very high122 Ų12265.3 Ų65.357%0.5733%0.326SS*.PPolyproline II helixtrans-62.5128.2170.4-66.1175171.600111.5Q1 Q2Q1-E188 CarbonylContact C-O 3.55Å; Q1-E188 WeakPolarHBondContact CA-O 3.46Å; Q2-E188 PolarHBondContact N-O 3.48Å
189L91.4Very high90.3Very high10 Ų1065 Ų655%0.05231%0.307CS..BIsolated β-bridgetrans-82.6126.9173.8-177.861.7000109.5V117 Y118 V121 K187 L192 L200 V293 Y295V117-L189 HydrophobicContact CG1-CD2 4.11Å; Y118-L189 HydrophobicContact CE1-CG 4.33Å; Y118-L189 WeakPolarHBondContact CE1-O 3.34Å; V121-L189 HydrophobicContact CG2-CD2 3.93Å; K187-L189 PolarHBondContact O-N 2.85Å; L189-L192 HydrophobicContact CD1-CD2 4.49Å; L189-L192 HydrophobicContact CD2-CD1 3.88Å; L189-L192 HydrophobicContact CD2-CD2 4.34Å; L189-L192 HydrophobicContact CD2-CG 4.29Å; L189-L192 HydrophobicContact CG-CD1 4.4Å; L189-L192 HydrophobicContact CG-CG 4.37Å; L189-L200 HydrophobicContact CD2-CD2 3.87Å; L189-V293 HydrophobicContact CD1-CG1 3.81Å; L189-V293 HydrophobicContact CD1-CG2 4.47Å; L189-Y295 HydrophobicContact CB-CD2 4.15Å; L189-Y295 HydrophobicContact CB-CE2 3.89Å; L189-Y295 HydrophobicContact CD1-CD2 4.35Å
190L89.6Confident90.4Very high57 Ų5755.4 Ų55.430%0.29827%0.271SS..  trans-134.8162.5-178.1-63.1173.1000111.2Q1 Q2 P4 L192Q1-L190 HydrophobicContact CB-CD1 4.19Å; Q1-L190 HydrophobicContact CG-CD1 3.87Å; Q2-L190 PolarHBondContact O-N 3.42Å; P4-L190 WeakPolarHBondContact CD-O 3.43Å; L190-L192 PolarHBondContact O-N 3.43Å
191D87.4Confident90.6Very high37 Ų3757.8 Ų57.820%0.19828%0.279CS..  trans64.430.5167.6-62.8-44.1000116.2K3 P4 E193 R194K3-D191 WeakPolarHBondContact CD-OD2 3.29Å; K3-D191 VanDerWaalsContact CE-OD2 3.24Å; K3-D191 WeakPolarHBondContact CE-OD2 3.34Å; K3-D191 IonicContact NZ-OD2 2.78Å; K3-D191 PolarHBondContact NZ-OD2 2.89Å; P4-D191 VanDerWaalsContact CG-O 3.29Å; P4-D191 WeakPolarHBondContact CG-O 3.28Å; D191-E193 VanDerWaalsContact C-N 3.3Å; D191-E193 PolarHBondContact O-N 2.93Å; D191-R194 HydrophobicContact CB-CG 4.14Å; D191-R194 VanDerWaalsContact CG-CZ 3.46Å; D191-R194 PolarHBondContact O-N 3.06Å; D191-R194 IonicContact OD1-CZ 3.95Å; D191-R194 IonicContact OD1-NE 2.78Å; D191-R194 PolarHBondContact OD1-NE 3.14Å; D191-R194 IonicContact OD1-NH2 3.28Å; D191-R194 PolarHBondContact OD1-NH2 3.01Å; D191-R194 IonicContact OD2-CZ 2.71Å; D191-R194 IonicContact OD2-NE 3.14Å; D191-R194 IonicContact OD2-NH2 2.94Å; D191-R194 PolarHBondContact OD2-NH2 3.46Å
192L88.9Confident90.7Very high0 Ų056.3 Ų56.30%026%0.263CS..G310 helixtrans-61.8-38.7174.2-71.1174.9000112.3F114 V117 Y118 L189 L190 R194 H195 V198 L200F114-L192 HydrophobicContact CD1-CB 4.07Å; F114-L192 HydrophobicContact CD2-CB 4.47Å; F114-L192 HydrophobicContact CE1-CB 4.37Å; F114-L192 HydrophobicContact CG-CB 4.14Å; F114-L192 WeakPolarHBondContact CZ-O 3.48Å; V117-L192 HydrophobicContact CB-CD1 4.22Å; V117-L192 HydrophobicContact CG1-CD1 3.84Å; Y118-L192 HydrophobicContact CD1-CD1 4.46Å; Y118-L192 HydrophobicContact CD2-CD1 4.28Å; Y118-L192 HydrophobicContact CE1-CD1 3.96Å; Y118-L192 HydrophobicContact CE1-CG 4.46Å; Y118-L192 HydrophobicContact CE2-CB 4.3Å; Y118-L192 HydrophobicContact CE2-CD1 3.76Å; Y118-L192 HydrophobicContact CE2-CG 4.38Å; Y118-L192 PolarHBondContact OH-N 3.5Å; L189-L192 HydrophobicContact CD1-CD2 4.49Å; L189-L192 HydrophobicContact CD2-CD1 3.88Å; L189-L192 HydrophobicContact CD2-CD2 4.34Å; L189-L192 HydrophobicContact CD2-CG 4.29Å; L189-L192 HydrophobicContact CG-CD1 4.4Å; L189-L192 HydrophobicContact CG-CG 4.37Å; L190-L192 PolarHBondContact O-N 3.43Å; L192-R194 PolarHBondContact O-N 3.46Å; L192-R194 VanDerWaalsContact O-N 3.15Å; L192-H195 PolarHBondContact O-N 3.26Å; L192-V198 HydrophobicContact CD2-CB 4.12Å; L192-V198 HydrophobicContact CD2-CG1 3.76Å; L192-V198 HydrophobicContact CD2-CG2 4.08Å; L192-L200 HydrophobicContact CD2-CD2 4.33Å
193E87.8Confident90.6Very high150 Ų15054.4 Ų54.470%0.70125%0.251SS*.G310 helixtrans-64.6-18.4-175.6-62.9175-172.900114.4F114 D191 H195F114-E193 HydrophobicContact CD2-CG 4.05Å; D191-E193 VanDerWaalsContact C-N 3.3Å; D191-E193 PolarHBondContact O-N 2.93Å; E193-H195 PolarHBondContact O-N 3.31Å
194R87.8Confident90.6Very high176 Ų17651.8 Ų51.866%0.66424%0.24SC*.G310 helixtrans-71.5-11.4-179.2-61.3-170-169.6-161.51.6113.2D191 L192D191-R194 HydrophobicContact CB-CG 4.14Å; D191-R194 VanDerWaalsContact CG-CZ 3.46Å; D191-R194 PolarHBondContact O-N 3.06Å; D191-R194 IonicContact OD1-CZ 3.95Å; D191-R194 IonicContact OD1-NE 2.78Å; D191-R194 PolarHBondContact OD1-NE 3.14Å; D191-R194 IonicContact OD1-NH2 3.28Å; D191-R194 PolarHBondContact OD1-NH2 3.01Å; D191-R194 IonicContact OD2-CZ 2.71Å; D191-R194 IonicContact OD2-NE 3.14Å; D191-R194 IonicContact OD2-NH2 2.94Å; D191-R194 PolarHBondContact OD2-NH2 3.46Å; L192-R194 PolarHBondContact O-N 3.46Å; L192-R194 VanDerWaalsContact O-N 3.15Å
195H88.7Confident90.6Very high30 Ų3050.1 Ų50.114%0.13923%0.232CC..SBendtrans-123.6143.7-175-58.8-69000111.6P4 Q6 F114 L192 E193 A197 V198 A291P4-H195 WeakPolarHBondContact CG-CD2 3.38Å; Q6-H195 PolarHBondContact NE2-ND1 3.08Å; F114-H195 WeakPolarHBondContact CZ-O 3.37Å; L192-H195 PolarHBondContact O-N 3.26Å; E193-H195 PolarHBondContact O-N 3.31Å; H195-A197 PolarHBondContact O-N 2.99Å; H195-V198 HydrophobicContact CB-CG2 3.97Å; H195-A291 HydrophobicContact CB-CB 3.97Å
196P88.1Confident90.6Very high48 Ų4847.9 Ų47.931%0.31222%0.218SC..SBendtrans-71.6-19.2-177.629.5-35.7000113.4P256 R289P196-P256 VanDerWaalsContact O-CD 3.23Å; P196-P256 WeakPolarHBondContact O-CD 3.43Å; P196-R289 HydrophobicContact CG-CB 4.46Å; P196-R289 WeakPolarHBondContact CG-O 3.3Å
197A90.1Very high90.6Very high0 Ų047.5 Ų47.50%022%0.215CC..EExtended strand (participates in β ladder)trans-155.5141173.900000109.1H195 F255 F264 T290 A291H195-A197 PolarHBondContact O-N 2.99Å; A197-F255 HydrophobicContact CB-CD1 3.97Å; A197-F255 HydrophobicContact CB-CE1 3.76Å; A197-F264 HydrophobicContact CB-CZ 4.4Å; A197-T290 HydrophobicContact CB-CG2 3.7Å; A197-T290 WeakPolarHBondContact O-CA 3.37Å; A197-A291 PolarHBondContact O-N 3.36Å
198V92.1Very high90.6Very high0 Ų043 Ų430%020%0.196CC..EExtended strand (participates in β ladder)trans-130.4127178.7-174.40000109.8P4 F114 L192 H195 L200 A254 A291 V293P4-V198 HydrophobicContact CB-CG1 4.33Å; F114-V198 HydrophobicContact CE1-CB 4.41Å; F114-V198 HydrophobicContact CE1-CG2 4.06Å; F114-V198 HydrophobicContact CZ-CG2 4.25Å; L192-V198 HydrophobicContact CD2-CB 4.12Å; L192-V198 HydrophobicContact CD2-CG1 3.76Å; L192-V198 HydrophobicContact CD2-CG2 4.08Å; H195-V198 HydrophobicContact CB-CG2 3.97Å; V198-L200 HydrophobicContact CB-CD1 4.28Å; V198-L200 HydrophobicContact CG1-CD1 3.96Å; V198-L200 HydrophobicContact CG1-CG 4.16Å; V198-A254 PolarHBondContact N-O 3.01Å; V198-A254 PolarHBondContact O-N 3.01Å; V198-A291 CarbonylContact C-O 3.6Å; V198-A291 WeakPolarHBondContact CA-O 3.27Å; V198-A291 HydrophobicContact CG2-CB 4.44Å; V198-V293 HydrophobicContact CG1-CG2 3.82Å
199R91.7Very high90.5Very high76 Ų7638.8 Ų38.829%0.28718%0.18SC..EExtended strand (participates in β ladder)trans-96.9115.6171.9-174.2170.7174177.40.5109.3L253 A291 Y292 V293R199-L253 HydrophobicContact CB-CD1 4.09Å; R199-A291 PolarHBondContact N-O 2.89Å; R199-Y292 HydrophobicContact CB-CD1 4.21Å; R199-Y292 HydrophobicContact CB-CE1 4.24Å; R199-Y292 HydrophobicContact CG-CE1 4.41Å; R199-V293 PolarHBondContact O-N 3.23Å
200L91.6Very high90.4Very high0 Ų039.2 Ų39.20%018%0.183CC..EExtended strand (participates in β ladder)trans-102131178.5-61.898.2000110.2V117 L189 L192 V198 F202 H251 I252 A254 V293V117-L200 HydrophobicContact CG1-CD1 4.34Å; V117-L200 HydrophobicContact CG1-CD2 3.66Å; V117-L200 HydrophobicContact CG2-CD1 4.46Å; L189-L200 HydrophobicContact CD2-CD2 3.87Å; L192-L200 HydrophobicContact CD2-CD2 4.33Å; V198-L200 HydrophobicContact CB-CD1 4.28Å; V198-L200 HydrophobicContact CG1-CD1 3.96Å; V198-L200 HydrophobicContact CG1-CG 4.16Å; L200-F202 HydrophobicContact CB-CE2 3.83Å; L200-F202 HydrophobicContact CB-CZ 4.13Å; L200-F202 HydrophobicContact CD2-CE2 4.42Å; L200-F202 HydrophobicContact CD2-CZ 3.89Å; L200-H251 WeakPolarHBondContact O-CA 3.4Å; L200-I252 PolarHBondContact N-O 3.25Å; L200-I252 PolarHBondContact O-N 2.9Å; L200-A254 HydrophobicContact CD1-CB 3.52Å; L200-V293 CarbonylContact C-O 3.58Å; L200-V293 WeakPolarHBondContact CA-O 3.31Å; L200-V293 HydrophobicContact CG-CB 4.35Å
201R92.1Very high90.4Very high96 Ų9640.1 Ų40.136%0.36220%0.199SC..EExtended strand (participates in β ladder)trans-110.1122.3164.2179.2-180167.8157.84107.8E250 V293 H294 Y295 D355R201-E250 CarbonylContact C-O 3.58Å; R201-E250 VanDerWaalsContact CA-O 3.28Å; R201-E250 WeakPolarHBondContact CA-O 3.44Å; R201-V293 PolarHBondContact N-O 3.2Å; R201-H294 CarbonylContact O-C 3.56Å; R201-H294 WeakPolarHBondContact O-CA 3.42Å; R201-H294 PolarHBondContact O-CD2 3.29Å; R201-Y295 PolarHBondContact O-N 3.11Å; R201-D355 IonicContact NH2-OD2 3.44Å; R201-D355 PolarHBondContact NH2-OD2 2.81Å
202F91.4Very high90.5Very high3 Ų345.2 Ų45.21%0.01322%0.216CC..EExtended strand (participates in β ladder)trans-94.9137.5173.8-66.1-81.7000109.8V121 L124 L200 F248 R249 E250 I252 Y295V121-F202 HydrophobicContact CG2-CE1 3.87Å; V121-F202 HydrophobicContact CG2-CZ 4.26Å; L124-F202 HydrophobicContact CD1-CD1 3.94Å; L124-F202 HydrophobicContact CD1-CE1 4.1Å; L200-F202 HydrophobicContact CB-CE2 3.83Å; L200-F202 HydrophobicContact CB-CZ 4.13Å; L200-F202 HydrophobicContact CD2-CE2 4.42Å; L200-F202 HydrophobicContact CD2-CZ 3.89Å; F202-F248 HydrophobicContact CB-CE2 3.83Å; F202-F248 HydrophobicContact CB-CZ 3.83Å; F202-R249 WeakPolarHBondContact CD2-O 3.45Å; F202-E250 PolarHBondContact N-O 3.47Å; F202-I252 HydrophobicContact CD2-CD1 4.23Å; F202-I252 HydrophobicContact CD2-CG1 4.27Å; F202-I252 HydrophobicContact CE2-CB 4.18Å; F202-I252 HydrophobicContact CE2-CD1 3.61Å; F202-I252 HydrophobicContact CE2-CG1 3.86Å; F202-I252 HydrophobicContact CZ-CD1 4.47Å; F202-Y295 CarbonylContact C-O 3.53Å; F202-Y295 WeakPolarHBondContact CA-O 3.12Å; F202-Y295 AromaticContact CD1-CD1 3.7Å; F202-Y295 HydrophobicContact CD1-CD1 3.7Å; F202-Y295 HydrophobicContact CD1-CG 4.15Å; F202-Y295 AromaticContact CE1-CD1 3.86Å; F202-Y295 HydrophobicContact CE1-CD1 3.86Å; F202-Y295 HydrophobicContact CE1-CG 4.07Å
203T92Very high90.6Very high23 Ų2345.2 Ų45.214%0.14122%0.216CC..EExtended strand (participates in β ladder)trans-135135.6174.5-62.10000109.5H294 Y295 H296 V297T203-H294 PolarHBondContact OG1-NE2 3.04Å; T203-Y295 PolarHBondContact N-O 3.23Å; T203-H296 WeakPolarHBondContact O-CA 3.5Å; T203-V297 PolarHBondContact O-N 2.9Å
204K91.9Very high90.8Very high41 Ų4141 Ų4118%0.17820%0.196CC..EExtended strand (participates in β ladder)trans-86.5128.5178.7-64.8173.5-170.6152.30108.2M241 L243 F248K204-M241 HydrophobicContact CB-CE 3.64Å; K204-M241 WeakPolarHBondContact CD-O 3.19Å; K204-L243 HydrophobicContact CG-CD1 4.42Å; K204-F248 HydrophobicContact CD-CD1 4.49Å; K204-F248 HydrophobicContact CD-CD2 4.47Å; K204-F248 HydrophobicContact CD-CE1 4.25Å; K204-F248 HydrophobicContact CD-CE2 4.3Å; K204-F248 HydrophobicContact CD-CZ 4.19Å; K204-F248 VanDerWaalsContact CE-CD2 3.44Å; K204-F248 VanDerWaalsContact CE-CE1 3.45Å; K204-F248 HydrophobicContact CG-CD2 4.24Å; K204-F248 HydrophobicContact CG-CE1 4.2Å; K204-F248 HydrophobicContact CG-CE2 3.67Å; K204-F248 HydrophobicContact CG-CZ 3.64Å
205C91.3Very high91Very high11 Ų1135 Ų357%0.07418%0.184CC..EExtended strand (participates in β ladder)trans-135.6143.3-179.6-63.50000109.3M241 H296 V297 E298 K299C205-M241 WeakPolarHBondContact O-CE 3.48Å; C205-H296 PolarHBondContact SG-ND1 3.33Å; C205-H296 VanDerWaalsContact SG-ND1 3.45Å; C205-V297 PolarHBondContact N-O 2.73Å; C205-E298 HydrophobicContact CB-CG 3.75Å; C205-E298 WeakPolarHBondContact O-CA 3.48Å; C205-K299 PolarHBondContact O-N 3.36Å
206F93.3Very high91.3Very high8 Ų834.1 Ų34.14%0.03518%0.182CC..EExtended strand (participates in β ladder)trans-131.7155.3170.166-85.7000111.9I131 F208 M241 K299 F301 V351 T353I131-F206 HydrophobicContact CD1-CB 4.32Å; I131-F206 HydrophobicContact CD1-CD1 4.3Å; I131-F206 HydrophobicContact CD1-CD2 3.65Å; I131-F206 HydrophobicContact CD1-CE2 3.96Å; I131-F206 HydrophobicContact CD1-CG 3.84Å; I131-F206 HydrophobicContact CD1-CZ 4.41Å; I131-F206 HydrophobicContact CG1-CD1 4.33Å; I131-F206 HydrophobicContact CG1-CG 4.33Å; I131-F206 HydrophobicContact CG2-CZ 4.35Å; F206-F208 HydrophobicContact CD2-CE2 4.06Å; F206-F208 HydrophobicContact CD2-CZ 4.1Å; F206-F208 AromaticContact CE2-CE2 3.89Å; F206-F208 HydrophobicContact CE2-CE2 3.89Å; F206-F208 HydrophobicContact CE2-CZ 4Å; F206-M241 HydrophobicContact CB-CE 4.31Å; F206-M241 HydrophobicContact CB-SD 3.82Å; F206-M241 HydrophobicContact CD1-CB 4.22Å; F206-M241 HydrophobicContact CD1-CE 4.46Å; F206-M241 HydrophobicContact CD1-SD 4Å; F206-M241 HydrophobicContact CG-SD 4.27Å; F206-K299 CarbonylContact C-O 3.59Å; F206-K299 WeakPolarHBondContact CA-O 3.31Å; F206-F301 HydrophobicContact CB-CD2 4.11Å; F206-F301 HydrophobicContact CB-CE2 3.66Å; F206-F301 HydrophobicContact CG-CE2 4.4Å; F206-V351 HydrophobicContact CE1-CB 4.46Å; F206-V351 HydrophobicContact CE1-CG1 4.32Å; F206-V351 HydrophobicContact CE2-CB 3.88Å; F206-V351 HydrophobicContact CE2-CG1 4.25Å; F206-V351 HydrophobicContact CE2-CG2 4.27Å; F206-V351 HydrophobicContact CZ-CB 3.84Å; F206-V351 HydrophobicContact CZ-CG1 3.73Å; F206-T353 HydrophobicContact CE1-CG2 4.2Å
207S92.1Very high91.6Very high7 Ų732.1 Ų32.15%0.04917%0.169CC..EExtended strand (participates in β ladder)trans-149.4163.6177.756.30000110.4K299 L300 F301S207-K299 PolarHBondContact N-O 3.46Å; S207-L300 WeakPolarHBondContact O-CA 3.44Å; S207-L300 VanDerWaalsContact OG-CD1 3.25Å; S207-L300 WeakPolarHBondContact OG-CD1 3.45Å; S207-F301 PolarHBondContact O-N 2.99Å
208F92.9Very high91.8Very high8 Ų835.4 Ų35.44%0.03519%0.186CC..EExtended strand (participates in β ladder)trans-110.7132.8177.7-59.3-81000110.2F175 F206 A213 E214 Y217 F301F175-F208 HydrophobicContact CE1-CE1 4.02Å; F175-F208 HydrophobicContact CZ-CE1 4.38Å; F206-F208 HydrophobicContact CD2-CE2 4.06Å; F206-F208 HydrophobicContact CD2-CZ 4.1Å; F206-F208 AromaticContact CE2-CE2 3.89Å; F206-F208 HydrophobicContact CE2-CE2 3.89Å; F206-F208 HydrophobicContact CE2-CZ 4Å; F208-A213 HydrophobicContact CD1-CB 4.03Å; F208-E214 HydrophobicContact CB-CB 3.95Å; F208-E214 HydrophobicContact CD1-CB 4.48Å; F208-E214 HydrophobicContact CD2-CB 4.13Å; F208-E214 HydrophobicContact CD2-CG 4.18Å; F208-E214 HydrophobicContact CG-CB 3.93Å; F208-E214 HydrophobicContact CG-CG 4.49Å; F208-Y217 HydrophobicContact CE1-CD2 4.5Å; F208-Y217 HydrophobicContact CE1-CG 4.12Å; F208-Y217 AromaticContact CE2-CD1 3.95Å; F208-Y217 HydrophobicContact CE2-CD1 3.95Å; F208-Y217 HydrophobicContact CE2-CE1 4.48Å; F208-Y217 HydrophobicContact CE2-CG 4.1Å; F208-Y217 AromaticContact CZ-CD1 3.73Å; F208-Y217 HydrophobicContact CZ-CD1 3.73Å; F208-Y217 AromaticContact CZ-CD2 3.79Å; F208-Y217 HydrophobicContact CZ-CD2 3.79Å; F208-Y217 HydrophobicContact CZ-CE1 4.41Å; F208-Y217 HydrophobicContact CZ-CE2 4.45Å; F208-Y217 AromaticContact CZ-CG 3.39Å; F208-Y217 HydrophobicContact CZ-CG 3.39Å; F208-F301 CarbonylContact C-O 3.55Å; F208-F301 VanDerWaalsContact CA-O 3.31Å; F208-F301 WeakPolarHBondContact CA-O 3.38Å; F208-F301 HydrophobicContact CD1-CB 3.64Å; F208-F301 HydrophobicContact CE1-CB 3.87Å; F208-F301 HydrophobicContact CE1-CD2 4.49Å; F208-F301 HydrophobicContact CE1-CG 4.32Å
209S88.9Confident92Very high34 Ų3439.2 Ų39.224%0.23821%0.209CC..SBendtrans-85.9-28.3173.457.30000112.2F301 G302S209-F301 PolarHBondContact N-O 3.43Å; S209-F301 PolarHBondContact OG-O 3.12Å; S209-F301 VanDerWaalsContact OG-O 3.1Å; S209-G302 WeakPolarHBondContact OG-CA 3.27Å; S209-G302 PolarHBondContact OG-O 2.94Å
210S87.6Confident92.2Very high18 Ų1837.9 Ų37.913%0.12621%0.206CC..SBendtrans-121.3135.5-175.5-179.20000111.7R212 A213 E214S210-R212 PolarHBondContact O-N 3.42Å; S210-R212 VanDerWaalsContact O-N 3.17Å; S210-R212 PolarHBondContact OG-N 2.85Å; S210-A213 PolarHBondContact O-N 2.84Å; S210-A213 VanDerWaalsContact O-N 3.08Å; S210-E214 PolarHBondContact O-N 2.98Å; S210-E214 VanDerWaalsContact O-N 3.09Å
211A89.9Confident92.4Very high77 Ų7741.1 Ų41.164%0.63622%0.219SC*.Hα-helixtrans-58.3-27.4172.700000112.2A215A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 2.83Å
212R90.9Very high92.6Very high143 Ų14339.7 Ų39.754%0.5423%0.227SC..Hα-helixtrans-68.2-43.1176.4-166.6-170.9-70.4110.43.9111.6Y180 S210 A216Y180-R212 HydrophobicContact CE1-CB 4.43Å; Y180-R212 HydrophobicContact CE1-CG 3.8Å; S210-R212 PolarHBondContact O-N 3.42Å; S210-R212 VanDerWaalsContact O-N 3.17Å; S210-R212 PolarHBondContact OG-N 2.85Å; R212-A216 WeakPolarHBondContact O-CB 3.26Å; R212-A216 PolarHBondContact O-N 3.48Å
213A90.9Very high92.9Very high0 Ų046.8 Ų46.80%025%0.254CS..Hα-helixtrans-67.7-41.8177.700000111Y180 F208 S210 A216 Y217Y180-A213 HydrophobicContact CD1-CB 3.95Å; Y180-A213 HydrophobicContact CG-CB 3.92Å; F208-A213 HydrophobicContact CD1-CB 4.03Å; S210-A213 PolarHBondContact O-N 2.84Å; S210-A213 VanDerWaalsContact O-N 3.08Å; A213-A216 PolarHBondContact O-N 2.66Å; A213-Y217 WeakPolarHBondContact O-CB 3.26Å; A213-Y217 PolarHBondContact O-N 2.93Å
214E91.3Very high93.1Very high61 Ų6146.4 Ų46.429%0.28525%0.25SC..Hα-helixtrans-62.1-47.8174.5-176.9173.2-154.900111.9F208 S210 A216 Y217 L218 S349F208-E214 HydrophobicContact CB-CB 3.95Å; F208-E214 HydrophobicContact CD1-CB 4.48Å; F208-E214 HydrophobicContact CD2-CB 4.13Å; F208-E214 HydrophobicContact CD2-CG 4.18Å; F208-E214 HydrophobicContact CG-CB 3.93Å; F208-E214 HydrophobicContact CG-CG 4.49Å; S210-E214 PolarHBondContact O-N 2.98Å; S210-E214 VanDerWaalsContact O-N 3.09Å; E214-A216 VanDerWaalsContact C-N 3.3Å; E214-A216 PolarHBondContact O-N 3.07Å; E214-Y217 WeakPolarHBondContact O-CB 3.35Å; E214-Y217 PolarHBondContact O-N 2.87Å; E214-L218 HydrophobicContact CG-CD1 4.11Å; E214-L218 HydrophobicContact CG-CG 4.49Å; E214-L218 VanDerWaalsContact O-CG 3.31Å; E214-L218 WeakPolarHBondContact O-CG 3.26Å; E214-L218 PolarHBondContact O-N 3.33Å; E214-S349 VanDerWaalsContact OE1-CB 3.23Å; E214-S349 WeakPolarHBondContact OE1-CB 3.36Å; E214-S349 PolarHBondContact OE1-OG 3.04Å
215A92.8Very high93.3Very high50 Ų5045.9 Ų45.941%0.41325%0.248SC..Hα-helixtrans-61.6-38.8177.900000112.1A211 L218 T219A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 2.83Å; A215-L218 PolarHBondContact O-N 2.88Å; A215-T219 VanDerWaalsContact O-CB 3.29Å; A215-T219 WeakPolarHBondContact O-CB 3.48Å; A215-T219 PolarHBondContact O-N 3.45Å; A215-T219 PolarHBondContact O-OG1 2.64Å
216A94Very high93.4Very high13 Ų1347.3 Ų47.311%0.10727%0.265CS..Hα-helixtrans-65.2-44.4175.900000111.9Y180 R212 A213 E214 T219 Q220Y180-A216 HydrophobicContact CD2-CB 4.35Å; Y180-A216 HydrophobicContact CE1-CB 4.31Å; Y180-A216 HydrophobicContact CE2-CB 3.39Å; Y180-A216 WeakPolarHBondContact OH-CB 3.21Å; R212-A216 WeakPolarHBondContact O-CB 3.26Å; R212-A216 PolarHBondContact O-N 3.48Å; A213-A216 PolarHBondContact O-N 2.66Å; E214-A216 VanDerWaalsContact C-N 3.3Å; E214-A216 PolarHBondContact O-N 3.07Å; A216-T219 PolarHBondContact O-N 3.35Å; A216-Q220 WeakPolarHBondContact O-CB 3.49Å; A216-Q220 WeakPolarHBondContact O-CG 3.43Å; A216-Q220 PolarHBondContact O-N 3.43Å
217Y94.1Very high93.5Very high5 Ų553.2 Ų53.22%0.0229%0.292CS..Hα-helixtrans-56.7-51.6173.5170.1-98.9000111.4I131 W133 F175 F208 A213 E214 T219 Q220 R221I131-Y217 HydrophobicContact CG2-CE2 3.7Å; W133-Y217 AromaticContact CE2-CE2 3.7Å; W133-Y217 HydrophobicContact CH2-CD2 4.4Å; W133-Y217 HydrophobicContact CH2-CE2 4.46Å; W133-Y217 AromaticContact CZ2-CD2 3.55Å; W133-Y217 HydrophobicContact CZ2-CD2 3.55Å; W133-Y217 AromaticContact CZ2-CE2 3.3Å; W133-Y217 HydrophobicContact CZ2-CE2 3.3Å; W133-Y217 HydrophobicContact CZ2-CG 4.44Å; W133-Y217 AromaticContact NE1-CE2 3.55Å; W133-Y217 AromaticContact NE1-CZ 3.61Å; W133-Y217 PolarHBondContact NE1-OH 2.78Å; W133-Y217 VanDerWaalsContact NE1-OH 3.16Å; F175-Y217 HydrophobicContact CB-CD2 4.31Å; F175-Y217 HydrophobicContact CD1-CD2 4.05Å; F175-Y217 AromaticContact CD2-CD2 3.99Å; F175-Y217 HydrophobicContact CD2-CD2 3.99Å; F175-Y217 HydrophobicContact CE1-CD2 4.36Å; F175-Y217 VanDerWaalsContact CE2-CA 3.41Å; F175-Y217 HydrophobicContact CE2-CD2 4.34Å; F175-Y217 AromaticContact CG-CD2 3.85Å; F175-Y217 HydrophobicContact CG-CD2 3.85Å; F208-Y217 HydrophobicContact CE1-CD2 4.5Å; F208-Y217 HydrophobicContact CE1-CG 4.12Å; F208-Y217 AromaticContact CE2-CD1 3.95Å; F208-Y217 HydrophobicContact CE2-CD1 3.95Å; F208-Y217 HydrophobicContact CE2-CE1 4.48Å; F208-Y217 HydrophobicContact CE2-CG 4.1Å; F208-Y217 AromaticContact CZ-CD1 3.73Å; F208-Y217 HydrophobicContact CZ-CD1 3.73Å; F208-Y217 AromaticContact CZ-CD2 3.79Å; F208-Y217 HydrophobicContact CZ-CD2 3.79Å; F208-Y217 HydrophobicContact CZ-CE1 4.41Å; F208-Y217 HydrophobicContact CZ-CE2 4.45Å; F208-Y217 AromaticContact CZ-CG 3.39Å; F208-Y217 HydrophobicContact CZ-CG 3.39Å; A213-Y217 WeakPolarHBondContact O-CB 3.26Å; A213-Y217 PolarHBondContact O-N 2.93Å; E214-Y217 WeakPolarHBondContact O-CB 3.35Å; E214-Y217 PolarHBondContact O-N 2.87Å; Y217-T219 VanDerWaalsContact C-N 3.31Å; Y217-T219 PolarHBondContact O-N 3.26Å; Y217-Q220 PolarHBondContact O-N 3.43Å; Y217-R221 VanDerWaalsContact O-CB 3.25Å; Y217-R221 WeakPolarHBondContact O-CB 3.39Å; Y217-R221 PolarHBondContact O-N 3.12Å
218L94.8Very high93.6Very high70 Ų7053.4 Ų53.437%0.36629%0.293SS..Hα-helixtrans-63-38.1-179.4-67.7175.4000112.2E214 A215 A222E214-L218 HydrophobicContact CG-CD1 4.11Å; E214-L218 HydrophobicContact CG-CG 4.49Å; E214-L218 VanDerWaalsContact O-CG 3.31Å; E214-L218 WeakPolarHBondContact O-CG 3.26Å; E214-L218 PolarHBondContact O-N 3.33Å; A215-L218 PolarHBondContact O-N 2.88Å; L218-A222 WeakPolarHBondContact O-CB 3.44Å; L218-A222 PolarHBondContact O-N 3.02Å
219T96.1Very high93.6Very high80 Ų8059.8 Ų59.849%0.49132%0.323SS..Hα-helixtrans-68.7-46.3178.7-59.10000111.7A215 A216 Y217 R221 A222 R223A215-T219 VanDerWaalsContact O-CB 3.29Å; A215-T219 WeakPolarHBondContact O-CB 3.48Å; A215-T219 PolarHBondContact O-N 3.45Å; A215-T219 PolarHBondContact O-OG1 2.64Å; A216-T219 PolarHBondContact O-N 3.35Å; Y217-T219 VanDerWaalsContact C-N 3.31Å; Y217-T219 PolarHBondContact O-N 3.26Å; T219-R221 VanDerWaalsContact C-N 3.34Å; T219-A222 PolarHBondContact O-N 3.49Å; T219-R223 WeakPolarHBondContact O-CB 3.39Å; T219-R223 PolarHBondContact O-N 3.42Å
220Q96.4Very high93.7Very high47 Ų4761.5 Ų61.522%0.2235%0.346CS..Hα-helixtrans-62.6-43.2176.2-71.8-17836.200111W133 D176 A216 Y217 R223 F224W133-Q220 HydrophobicContact CH2-CB 3.67Å; W133-Q220 HydrophobicContact CZ3-CB 4.1Å; D176-Q220 PolarHBondContact O-NE2 2.95Å; D176-Q220 VanDerWaalsContact O-NE2 3.12Å; A216-Q220 WeakPolarHBondContact O-CB 3.49Å; A216-Q220 WeakPolarHBondContact O-CG 3.43Å; A216-Q220 PolarHBondContact O-N 3.43Å; Y217-Q220 PolarHBondContact O-N 3.43Å; Q220-R223 PolarHBondContact O-N 3.42Å; Q220-F224 WeakPolarHBondContact O-CB 3.48Å; Q220-F224 PolarHBondContact O-N 3.12Å
221R96.2Very high93.9Very high69 Ų6965.1 Ų65.126%0.2636%0.363SS..Hα-helixtrans-60.5-48.4176-171.717871.7177.1-1.7112W133 Y217 T219 R223 F224 F225 E239W133-R221 HydrophobicContact CD2-CB 4.39Å; W133-R221 HydrophobicContact CD2-CG 4.28Å; W133-R221 HydrophobicContact CG-CG 4.33Å; W133-R221 HydrophobicContact CH2-CB 4.3Å; W133-R221 HydrophobicContact CZ2-CB 3.66Å; W133-R221 HydrophobicContact CZ2-CG 4.25Å; Y217-R221 VanDerWaalsContact O-CB 3.25Å; Y217-R221 WeakPolarHBondContact O-CB 3.39Å; Y217-R221 PolarHBondContact O-N 3.12Å; T219-R221 VanDerWaalsContact C-N 3.34Å; R221-R223 VanDerWaalsContact C-N 3.34Å; R221-R223 PolarHBondContact O-N 2.88Å; R221-F224 PolarHBondContact O-N 2.71Å; R221-F225 HydrophobicContact CG-CD2 3.72Å; R221-F225 HydrophobicContact CG-CE2 3.62Å; R221-F225 VanDerWaalsContact O-CD2 3.29Å; R221-F225 WeakPolarHBondContact O-CD2 3.16Å; R221-F225 PolarHBondContact O-N 3.31Å; R221-E239 IonicContact NH1-OE2 3.91Å; R221-E239 PolarHBondContact NH1-OE2 2.88Å
222A95.5Very high94.2Very high65 Ų6563.2 Ų63.254%0.53734%0.342SS..Hα-helixtrans-64-40.1179.800000111.8L218 T219 G226L218-A222 WeakPolarHBondContact O-CB 3.44Å; L218-A222 PolarHBondContact O-N 3.02Å; T219-A222 PolarHBondContact O-N 3.49Å; A222-G226 PolarHBondContact O-N 3Å
223R97Very high94.3Very high153 Ų15362.1 Ų62.158%0.57735%0.347SS*.Hα-helixtrans-60-51.6173.8-178.9-175.4-65.3146.6-1111.1T219 Q220 R221 F225 G226 E227T219-R223 WeakPolarHBondContact O-CB 3.39Å; T219-R223 PolarHBondContact O-N 3.42Å; Q220-R223 PolarHBondContact O-N 3.42Å; R221-R223 VanDerWaalsContact C-N 3.34Å; R221-R223 PolarHBondContact O-N 2.88Å; R223-F225 PolarHBondContact O-N 3.05Å; R223-G226 PolarHBondContact O-N 3.24Å; R223-E227 HydrophobicContact CG-CG 4.45Å; R223-E227 VanDerWaalsContact CG-OE1 3.24Å; R223-E227 WeakPolarHBondContact CG-OE1 3.47Å; R223-E227 WeakPolarHBondContact O-CG 3.29Å; R223-E227 PolarHBondContact O-N 3.39Å
224F96.6Very high94.5Very high14 Ų1467.9 Ų67.96%0.06137%0.37CS..Hα-helixtrans-57.9-48.4-178.5171.8-102.7000112.3W133 A135 S171 Q220 R221 E227 N228W133-F224 HydrophobicContact CB-CD1 3.7Å; W133-F224 HydrophobicContact CB-CE1 3.7Å; W133-F224 HydrophobicContact CE3-CB 4.49Å; A135-F224 HydrophobicContact CB-CE1 3.92Å; A135-F224 HydrophobicContact CB-CZ 3.98Å; S171-F224 WeakPolarHBondContact OG-CZ 3.41Å; Q220-F224 WeakPolarHBondContact O-CB 3.48Å; Q220-F224 PolarHBondContact O-N 3.12Å; R221-F224 PolarHBondContact O-N 2.71Å; F224-E227 PolarHBondContact O-N 3.37Å; F224-N228 PolarHBondContact O-N 3.43Å; F224-N228 PolarHBondContact O-ND2 3.23Å
225F95.9Very high94.6Very high30 Ų3068 Ų6813%0.13237%0.371CS..Hα-helixtrans-71.6-34.9179-71.7-61.3000112.6W133 A135 R221 R223 E227 N228 E229 M235 A237W133-F225 HydrophobicContact CB-CE2 4.11Å; W133-F225 HydrophobicContact CB-CZ 3.82Å; W133-F225 HydrophobicContact CG-CE2 4.24Å; W133-F225 HydrophobicContact CG-CZ 4.39Å; A135-F225 HydrophobicContact CB-CD1 4.16Å; A135-F225 HydrophobicContact CB-CE1 4.18Å; R221-F225 HydrophobicContact CG-CD2 3.72Å; R221-F225 HydrophobicContact CG-CE2 3.62Å; R221-F225 VanDerWaalsContact O-CD2 3.29Å; R221-F225 WeakPolarHBondContact O-CD2 3.16Å; R221-F225 PolarHBondContact O-N 3.31Å; R223-F225 PolarHBondContact O-N 3.05Å; F225-E227 VanDerWaalsContact C-N 3.31Å; F225-E227 PolarHBondContact O-N 3.29Å; F225-N228 PolarHBondContact O-N 2.94Å; F225-E229 WeakPolarHBondContact O-CB 3.17Å; F225-E229 PolarHBondContact O-N 3.33Å; F225-M235 HydrophobicContact CD1-CE 4.37Å; F225-A237 HydrophobicContact CD1-CB 4.06Å; F225-A237 HydrophobicContact CE1-CB 3.49Å; F225-A237 VanDerWaalsContact CE1-CB 3.49Å; F225-A237 HydrophobicContact CZ-CB 3.82Å
226G95.1Very high94.7Very high42 Ų4267.8 Ų67.843%0.43336%0.362SS..Hα-helixtrans-64.9-31.8175.600000113.6A222 R223 N228A222-G226 PolarHBondContact O-N 3Å; R223-G226 PolarHBondContact O-N 3.24Å; G226-N228 VanDerWaalsContact C-N 3.32Å
227E95.2Very high94.6Very high131 Ų13170.1 Ų70.161%0.61238%0.381SS*.Hα-helixtrans-71.2-26174.4-74.6169.9-176.100113.1R223 F224 F225R223-E227 HydrophobicContact CG-CG 4.45Å; R223-E227 VanDerWaalsContact CG-OE1 3.24Å; R223-E227 WeakPolarHBondContact CG-OE1 3.47Å; R223-E227 WeakPolarHBondContact O-CG 3.29Å; R223-E227 PolarHBondContact O-N 3.39Å; F224-E227 PolarHBondContact O-N 3.37Å; F225-E227 VanDerWaalsContact C-N 3.31Å; F225-E227 PolarHBondContact O-N 3.29Å
228N92.9Very high94.6Very high11 Ų1175.1 Ų75.16%0.05940%0.4CS..Hα-helixtrans-98.7-13.3-180-70-80.8000113.5A135 H169 S171 F224 F225 G226 L231 M235A135-N228 HydrophobicContact CB-CB 3.7Å; H169-N228 PolarHBondContact CE1-OD1 2.75Å; H169-N228 VanDerWaalsContact CE1-OD1 3.26Å; S171-N228 PolarHBondContact OG-ND2 2.91Å; S171-N228 VanDerWaalsContact OG-ND2 3.11Å; S171-N228 PolarHBondContact OG-OD1 3.26Å; F224-N228 PolarHBondContact O-N 3.43Å; F224-N228 PolarHBondContact O-ND2 3.23Å; F225-N228 PolarHBondContact O-N 2.94Å; G226-N228 VanDerWaalsContact C-N 3.32Å; N228-L231 HydrophobicContact CB-CD1 4.35Å; N228-L231 WeakPolarHBondContact O-CG 3.39Å; N228-M235 HydrophobicContact CB-SD 3.83Å
229E93.5Very high94.4Very high142 Ų14276.5 Ų76.566%0.66440%0.404SS*.THydrogen-bonded Turntrans-67.3133.1177.8-171.6170.3-164.500110.2F225 L231 M235F225-E229 WeakPolarHBondContact O-CB 3.17Å; F225-E229 PolarHBondContact O-N 3.33Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-L231 PolarHBondContact O-N 3.46Å; E229-M235 HydrophobicContact CB-CE 4.3Å
230G90.9Very high94.2Very high70 Ų7073 Ų7372%0.72239%0.385SS*.THydrogen-bonded Turntrans80.66.3178.100000115.7D232G230-D232 PolarHBondContact O-N 2.94Å
231L92.6Very high93.9Very high95 Ų9571.4 Ų71.450%0.49738%0.377SS..SBendtrans-69.3-22.3170.6-67.8178.6000113.2H169 N228 E229H169-L231 WeakPolarHBondContact ND1-CD1 3.35Å; N228-L231 HydrophobicContact CB-CD1 4.35Å; N228-L231 WeakPolarHBondContact O-CG 3.39Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-L231 PolarHBondContact O-N 3.46Å
232D94.9Very high93.7Very high36 Ų3670.9 Ų70.919%0.19338%0.378CS..SBendtrans-153.5177.3177.7-150.9-12.7000110.5Y138 H139 T168 G230 Y234Y138-D232 WeakPolarHBondContact CA-OD2 3.28Å; H139-D232 WeakPolarHBondContact CB-OD1 3.25Å; H139-D232 IonicContact CE1-OD2 3.92Å; H139-D232 IonicContact CG-OD1 3.68Å; H139-D232 IonicContact CG-OD2 3.07Å; H139-D232 PolarHBondContact N-OD2 2.7Å; H139-D232 IonicContact ND1-OD1 2.66Å; H139-D232 PolarHBondContact ND1-OD1 3.29Å; H139-D232 IonicContact ND1-OD2 2.88Å; H139-D232 PolarHBondContact ND1-OD2 2.86Å; T168-D232 WeakPolarHBondContact CB-OD2 3.32Å; T168-D232 WeakPolarHBondContact CG2-OD2 3.46Å; T168-D232 PolarHBondContact OG1-OD2 3.5Å; G230-D232 PolarHBondContact O-N 2.94Å; D232-Y234 VanDerWaalsContact C-N 3.25Å; D232-Y234 PolarHBondContact O-N 2.8Å
233D94.3Very high93.5Very high120 Ų12068.2 Ų68.264%0.64236%0.355SS*.SBendtrans-56.6-38.1-179.8-71.3-17.8000112.7H139H139-D233 HydrophobicContact CB-CB 3.99Å; H139-D233 WeakPolarHBondContact CB-OD2 3.23Å
234Y94.8Very high93.2Very high122 Ų12264.5 Ų64.548%0.47834%0.342SS..EExtended strand (participates in β ladder)trans-134.1154.5-179.9-54.1-79.4000111.6S137 Y138 Y140 D232S137-Y234 CarbonylContact C-O 3.58Å; S137-Y234 VanDerWaalsContact CA-O 3.31Å; S137-Y234 WeakPolarHBondContact CA-O 3.31Å; Y138-Y234 HydrophobicContact CD2-CD2 4.28Å; Y138-Y234 HydrophobicContact CD2-CG 4.49Å; Y138-Y234 AromaticContact CE2-CD2 3.98Å; Y138-Y234 HydrophobicContact CE2-CD2 3.98Å; Y138-Y234 AromaticContact CE2-CG 3.95Å; Y138-Y234 HydrophobicContact CE2-CG 3.95Å; Y138-Y234 VanDerWaalsContact CZ-CB 3.43Å; Y138-Y234 PolarHBondContact N-O 2.88Å; Y138-Y234 WeakPolarHBondContact O-CA 3.36Å; Y138-Y234 WeakPolarHBondContact O-CB 3.26Å; Y138-Y234 PolarHBondContact O-N 3.32Å; Y140-Y234 HydrophobicContact CD2-CD2 4.07Å; Y140-Y234 AromaticContact CD2-CE2 3.7Å; Y140-Y234 HydrophobicContact CD2-CE2 3.7Å; Y140-Y234 HydrophobicContact CE2-CD2 4.13Å; Y140-Y234 AromaticContact CE2-CE2 3.99Å; Y140-Y234 HydrophobicContact CE2-CE2 3.99Å; D232-Y234 VanDerWaalsContact C-N 3.25Å; D232-Y234 PolarHBondContact O-N 2.8Å
235M93.5Very high92.6Very high63 Ų6371.2 Ų71.231%0.3138%0.379SS..EExtended strand (participates in β ladder)trans-135.8126.7174.2-177.6-176.863.200110.1A135 I136 F225 N228 E229A135-M235 HydrophobicContact CB-CG 4.36Å; A135-M235 HydrophobicContact CB-SD 4.02Å; I136-M235 WeakPolarHBondContact O-CA 3.43Å; F225-M235 HydrophobicContact CD1-CE 4.37Å; N228-M235 HydrophobicContact CB-SD 3.83Å; E229-M235 HydrophobicContact CB-CE 4.3Å
236E93.5Very high92.2Very high45 Ų4571 Ų7121%0.2138%0.38CS..EExtended strand (participates in β ladder)trans-94.2116.7170.6-173.8-176.616200109.4I136 Y138 R165 R238I136-E236 HydrophobicContact CB-CB 4.37Å; I136-E236 PolarHBondContact N-O 3.27Å; I136-E236 PolarHBondContact O-N 2.96Å; Y138-E236 HydrophobicContact CD1-CB 4.43Å; Y138-E236 HydrophobicContact CE1-CB 3.99Å; R165-E236 IonicContact CZ-OE2 3.26Å; R165-E236 VanDerWaalsContact CZ-OE2 3.22Å; R165-E236 IonicContact NH1-OE2 3.99Å; R165-E236 PolarHBondContact NH1-OE2 3.45Å; R165-E236 IonicContact NH2-OE2 2.64Å; R165-E236 PolarHBondContact NH2-OE2 3.43Å; E236-R238 HydrophobicContact CG-CG 4.4Å; E236-R238 IonicContact OE1-CZ 2.84Å; E236-R238 IonicContact OE1-NE 2.82Å; E236-R238 PolarHBondContact OE1-NE 3.04Å; E236-R238 IonicContact OE1-NH2 3.72Å; E236-R238 PolarHBondContact OE1-NH2 2.85Å; E236-R238 IonicContact OE2-NH2 2.75Å
237A92.6Very high91.6Very high63 Ų6374.8 Ų74.852%0.52139%0.39SS..EExtended strand (participates in β ladder)trans-91.4127.1172.500000110.1F225F225-A237 HydrophobicContact CD1-CB 4.06Å; F225-A237 HydrophobicContact CE1-CB 3.49Å; F225-A237 VanDerWaalsContact CE1-CB 3.49Å; F225-A237 HydrophobicContact CZ-CB 3.82Å
238R93.3Very high91.1Very high109 Ų10970.6 Ų70.641%0.41137%0.37SS..EExtended strand (participates in β ladder)trans-120.2139.2171-60.6-176.3178.7-178.72.4109.3W132 W133 K134 E236W132-R238 HydrophobicContact CH2-CB 4.49Å; W132-R238 HydrophobicContact CZ3-CB 4.11Å; W133-R238 CarbonylContact C-O 3.55Å; W133-R238 WeakPolarHBondContact CA-O 3.42Å; K134-R238 HydrophobicContact CB-CB 4.23Å; K134-R238 PolarHBondContact N-O 3.32Å; K134-R238 PolarHBondContact O-N 2.8Å; E236-R238 HydrophobicContact CG-CG 4.4Å; E236-R238 IonicContact OE1-CZ 2.84Å; E236-R238 IonicContact OE1-NE 2.82Å; E236-R238 PolarHBondContact OE1-NE 3.04Å; E236-R238 IonicContact OE1-NH2 3.72Å; E236-R238 PolarHBondContact OE1-NH2 2.85Å; E236-R238 IonicContact OE2-NH2 2.75Å
239E92.2Very high90.7Very high99 Ų9976 Ų7646%0.46339%0.39SS..EExtended strand (participates in β ladder)trans-136.3150.1175.359.5-179.1-165.300109.9W132 R221W132-E239 WeakPolarHBondContact O-CA 3.2Å; R221-E239 IonicContact NH1-OE2 3.91Å; R221-E239 PolarHBondContact NH1-OE2 2.88Å
240G90.8Very high90.3Very high8 Ų874.4 Ų74.48%0.08238%0.383CS..EExtended strand (participates in β ladder)trans-174178.5179.800000113.2I131 W132I131-G240 WeakPolarHBondContact CA-O 3.33Å; W132-G240 PolarHBondContact N-O 3.44Å; W132-G240 PolarHBondContact O-N 3.26Å
241M91.2Very high90.3Very high12 Ų1274.1 Ų74.16%0.05936%0.362CS..EExtended strand (participates in β ladder)trans-129.1133.1174.1-174.2174.868.200109.9P129 C130 I131 K204 C205 F206 K299P129-M241 HydrophobicContact CB-SD 4.04Å; C130-M241 WeakPolarHBondContact O-CA 3.4Å; I131-M241 HydrophobicContact CG1-CB 4.39Å; I131-M241 HydrophobicContact CG1-CG 4.08Å; I131-M241 HydrophobicContact CG1-SD 4.14Å; K204-M241 HydrophobicContact CB-CE 3.64Å; K204-M241 WeakPolarHBondContact CD-O 3.19Å; C205-M241 WeakPolarHBondContact O-CE 3.48Å; F206-M241 HydrophobicContact CB-CE 4.31Å; F206-M241 HydrophobicContact CB-SD 3.82Å; F206-M241 HydrophobicContact CD1-CB 4.22Å; F206-M241 HydrophobicContact CD1-CE 4.46Å; F206-M241 HydrophobicContact CD1-SD 4Å; F206-M241 HydrophobicContact CG-SD 4.27Å; M241-K299 HydrophobicContact CE-CG 4.37Å; M241-K299 HydrophobicContact SD-CG 4.46Å
242H91.4Very high90.1Very high58 Ų5869.6 Ų69.627%0.26934%0.339SS..EExtended strand (participates in β ladder)trans-117.4155.6167.269.8-97.1000110.1C130 W132 E174 K244C130-H242 WeakPolarHBondContact CB-CE1 3.36Å; C130-H242 WeakPolarHBondContact CB-NE2 3.46Å; C130-H242 PolarHBondContact N-O 3.48Å; C130-H242 PolarHBondContact O-N 3.17Å; C130-H242 PolarHBondContact SG-CE1 2.97Å; W132-H242 AromaticContact CD1-ND1 3.16Å; W132-H242 AromaticContact NE1-ND1 3.66Å; E174-H242 IonicContact OE1-CE1 2.74Å; H242-K244 VanDerWaalsContact NE2-CE 3.34Å; H242-K244 WeakPolarHBondContact NE2-CE 3.3Å; H242-K244 WeakPolarHBondContact NE2-CG 3.25Å
243L92.2Very high89.9Confident10 Ų1068.4 Ų68.45%0.05233%0.332CS..EExtended strand (participates in β ladder)trans-105116.5175.1-64.1172.9000105.8L124 A127 P129 K204 F248 V297 K299L124-L243 HydrophobicContact CD2-CD1 3.66Å; A127-L243 HydrophobicContact CB-CB 3.9Å; A127-L243 HydrophobicContact CB-CD2 4.32Å; A127-L243 HydrophobicContact CB-CG 4.47Å; P129-L243 HydrophobicContact CB-CD2 4.19Å; K204-L243 HydrophobicContact CG-CD1 4.42Å; L243-F248 HydrophobicContact CD1-CD2 4.35Å; L243-V297 HydrophobicContact CD1-CG1 4Å; L243-K299 HydrophobicContact CD2-CG 4.43Å
244K89.1Confident89.8Confident74 Ų7462.7 Ų62.732%0.32230%0.301SS..THydrogen-bonded Turntrans-72.5152.2179.5-66.3175.7172.2169.50109.3T128 C130 E174 H242 V246T128-K244 PolarHBondContact O-N 2.7Å; T128-K244 WeakPolarHBondContact OG1-CB 3.5Å; C130-K244 HydrophobicContact CB-CD 4.06Å; C130-K244 HydrophobicContact CB-CG 4.06Å; C130-K244 WeakPolarHBondContact SG-CE 3.4Å; C130-K244 PolarHBondContact SG-NZ 3.39Å; E174-K244 IonicContact OE1-NZ 2.66Å; E174-K244 IonicContact OE2-NZ 2.72Å; E174-K244 PolarHBondContact OE2-NZ 3.38Å; H242-K244 VanDerWaalsContact NE2-CE 3.34Å; H242-K244 WeakPolarHBondContact NE2-CE 3.3Å; H242-K244 WeakPolarHBondContact NE2-CG 3.25Å; K244-V246 VanDerWaalsContact C-N 3.26Å; K244-V246 PolarHBondContact O-N 3.41Å
245N84.1Confident89.6Confident156 Ų15656.9 Ų56.983%0.83428%0.279SS*.THydrogen-bonded Turntrans64.918.2175.6-47.5-43.4000115.8
246V87.4Confident89.3Confident24 Ų2457 Ų5715%0.14528%0.284CS..SBendtrans-141132.6175.7-1780000111.4R123 L124 A127 K244 F248R123-V246 HydrophobicContact CB-CG2 4.35Å; L124-V246 HydrophobicContact CD2-CB 4.47Å; L124-V246 HydrophobicContact CD2-CG1 3.68Å; L124-V246 HydrophobicContact CG-CG1 4.23Å; A127-V246 HydrophobicContact CB-CB 4.43Å; A127-V246 HydrophobicContact CB-CG2 3.66Å; K244-V246 VanDerWaalsContact C-N 3.26Å; K244-V246 PolarHBondContact O-N 3.41Å; V246-F248 PolarHBondContact O-N 3Å; V246-F248 VanDerWaalsContact O-N 3.07Å
247D82.8Confident88.9Confident122 Ų12257.7 Ų57.765%0.65229%0.289SS*.  trans-69.5102.4168.6-64.5-24.2000110R249D247-R249 PolarHBondContact O-N 3.24Å
248F84.5Confident88.3Confident44 Ų4457 Ų5719%0.19328%0.28CS..  trans-82.8113.7178.3-174.3-100.2000110.6L124 F202 K204 L243 V246 E250L124-F248 HydrophobicContact CD2-CD2 3.85Å; L124-F248 HydrophobicContact CD2-CE2 4.47Å; F202-F248 HydrophobicContact CB-CE2 3.83Å; F202-F248 HydrophobicContact CB-CZ 3.83Å; K204-F248 HydrophobicContact CD-CD1 4.49Å; K204-F248 HydrophobicContact CD-CD2 4.47Å; K204-F248 HydrophobicContact CD-CE1 4.25Å; K204-F248 HydrophobicContact CD-CE2 4.3Å; K204-F248 HydrophobicContact CD-CZ 4.19Å; K204-F248 VanDerWaalsContact CE-CD2 3.44Å; K204-F248 VanDerWaalsContact CE-CE1 3.45Å; K204-F248 HydrophobicContact CG-CD2 4.24Å; K204-F248 HydrophobicContact CG-CE1 4.2Å; K204-F248 HydrophobicContact CG-CE2 3.67Å; K204-F248 HydrophobicContact CG-CZ 3.64Å; L243-F248 HydrophobicContact CD1-CD2 4.35Å; V246-F248 PolarHBondContact O-N 3Å; V246-F248 VanDerWaalsContact O-N 3.07Å; F248-E250 HydrophobicContact CD1-CG 4.04Å; F248-E250 HydrophobicContact CE1-CB 4.43Å; F248-E250 HydrophobicContact CE1-CG 3.4Å; F248-E250 HydrophobicContact CZ-CG 4.27Å
249R84.6Confident87.8Confident123 Ų12356.2 Ų56.246%0.46430%0.297SS..  trans-109.5119.3170.4-65.2-173.1178.6-178.3-1.1109.1A110 F202 D247 I252A110-R249 VanDerWaalsContact CB-NH1 3.32Å; F202-R249 WeakPolarHBondContact CD2-O 3.45Å; D247-R249 PolarHBondContact O-N 3.24Å; R249-I252 HydrophobicContact CB-CD1 4.2Å; R249-I252 HydrophobicContact CB-CG1 4.14Å
250E86.6Confident87.3Confident110 Ų11061.1 Ų61.151%0.51431%0.311SS..SBendtrans-67-39.1-177.6-75.2172.9-17000112.9R201 F202 F248R201-E250 CarbonylContact C-O 3.58Å; R201-E250 VanDerWaalsContact CA-O 3.28Å; R201-E250 WeakPolarHBondContact CA-O 3.44Å; F202-E250 PolarHBondContact N-O 3.47Å; F248-E250 HydrophobicContact CD1-CG 4.04Å; F248-E250 HydrophobicContact CE1-CB 4.43Å; F248-E250 HydrophobicContact CE1-CG 3.4Å; F248-E250 HydrophobicContact CZ-CG 4.27Å
251H89.1Confident87Confident64 Ų6462.5 Ų62.530%0.29632%0.315SS..EExtended strand (participates in β ladder)trans-123.9121.9-174.4-62.291.5000110.3L109 L200L109-H251 HydrophobicContact CD2-CB 3.55Å; L200-H251 WeakPolarHBondContact O-CA 3.4Å
252I90.1Very high86.8Confident0 Ų063.2 Ų63.20%032%0.32CS..EExtended strand (participates in β ladder)trans-128.7136.5178.2-57.4-171.2000108.7A112 V117 L200 F202 R249A112-I252 HydrophobicContact CB-CG2 3.71Å; V117-I252 HydrophobicContact CG2-CG2 4.31Å; L200-I252 PolarHBondContact N-O 3.25Å; L200-I252 PolarHBondContact O-N 2.9Å; F202-I252 HydrophobicContact CD2-CD1 4.23Å; F202-I252 HydrophobicContact CD2-CG1 4.27Å; F202-I252 HydrophobicContact CE2-CB 4.18Å; F202-I252 HydrophobicContact CE2-CD1 3.61Å; F202-I252 HydrophobicContact CE2-CG1 3.86Å; F202-I252 HydrophobicContact CZ-CD1 4.47Å; R249-I252 HydrophobicContact CB-CD1 4.2Å; R249-I252 HydrophobicContact CB-CG1 4.14Å
253L90.6Very high86.6Confident10 Ų1067.3 Ų67.35%0.05233%0.334CS..EExtended strand (participates in β ladder)trans-106.5112.7170.1-170.863.5000108.3L109 A110 H111 A112 R199 F255L109-L253 HydrophobicContact CB-CB 4.33Å; L109-L253 HydrophobicContact CD1-CB 4.49Å; A110-L253 PolarHBondContact O-N 3.04Å; H111-L253 WeakPolarHBondContact CA-O 3.47Å; A112-L253 PolarHBondContact N-O 3.07Å; R199-L253 HydrophobicContact CB-CD1 4.09Å; L253-F255 HydrophobicContact CB-CE2 4.35Å; L253-F255 HydrophobicContact CD2-CE2 3.69Å; L253-F255 HydrophobicContact CD2-CZ 3.45Å; L253-F255 VanDerWaalsContact CD2-CZ 3.45Å; L253-F255 HydrophobicContact CG-CE2 3.62Å; L253-F255 HydrophobicContact CG-CZ 3.64Å
254A91.4Very high86.3Confident0 Ų067.5 Ų67.50%033%0.334CS..EExtended strand (participates in β ladder)trans-102.9136.7-174.500000111.3A112 F114 V117 V198 L200A112-A254 VanDerWaalsContact O-CA 3.28Å; A112-A254 WeakPolarHBondContact O-CA 3.5Å; F114-A254 HydrophobicContact CD1-CB 3.74Å; F114-A254 HydrophobicContact CE1-CB 3.81Å; V117-A254 HydrophobicContact CG2-CB 3.73Å; V198-A254 PolarHBondContact N-O 3.01Å; V198-A254 PolarHBondContact O-N 3.01Å; L200-A254 HydrophobicContact CD1-CB 3.52Å
255F90.2Very high86.1Confident1 Ų165.3 Ų65.30%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-124.3154.3176.8-62.4-80.2000110.5H111 A112 F114 A197 L253 D257 P262 S265H111-F255 AromaticContact CD2-CE2 3.43Å; H111-F255 VanDerWaalsContact CD2-CE2 3.43Å; H111-F255 WeakPolarHBondContact CD2-CE2 3.36Å; A112-F255 PolarHBondContact O-N 2.88Å; F114-F255 PolarHBondContact N-O 2.8Å; A197-F255 HydrophobicContact CB-CD1 3.97Å; A197-F255 HydrophobicContact CB-CE1 3.76Å; L253-F255 HydrophobicContact CB-CE2 4.35Å; L253-F255 HydrophobicContact CD2-CE2 3.69Å; L253-F255 HydrophobicContact CD2-CZ 3.45Å; L253-F255 VanDerWaalsContact CD2-CZ 3.45Å; L253-F255 HydrophobicContact CG-CE2 3.62Å; L253-F255 HydrophobicContact CG-CZ 3.64Å; F255-D257 VanDerWaalsContact C-N 3.26Å; F255-D257 PolarHBondContact O-N 3.37Å; F255-P262 HydrophobicContact CD1-CG 4.2Å; F255-P262 HydrophobicContact CE1-CG 4.04Å; F255-S265 WeakPolarHBondContact CZ-OG 3.4Å
256P87.2Confident86.3Confident65 Ų6564 Ų6442%0.42231%0.311SS..SBendtrans-60.4-38.9171.9-13.822.1000112.2F114 P196F114-P256 HydrophobicContact CD2-CB 4.08Å; F114-P256 HydrophobicContact CD2-CG 4.38Å; F114-P256 VanDerWaalsContact CE2-CA 3.43Å; F114-P256 HydrophobicContact CE2-CB 3.65Å; F114-P256 HydrophobicContact CE2-CG 3.47Å; F114-P256 VanDerWaalsContact CE2-CG 3.47Å; F114-P256 HydrophobicContact CZ-CB 4.34Å; F114-P256 VanDerWaalsContact CZ-CD 3.5Å; F114-P256 HydrophobicContact CZ-CG 3.77Å; P196-P256 VanDerWaalsContact O-CD 3.23Å; P196-P256 WeakPolarHBondContact O-CD 3.43Å
257D84.9Confident86.3Confident59 Ų5967.2 Ų67.232%0.31632%0.324SS..  trans-141.2114.1176.1178.9-7.8000108.3F255 A259 R260F255-D257 VanDerWaalsContact C-N 3.26Å; F255-D257 PolarHBondContact O-N 3.37Å; D257-A259 PolarHBondContact O-N 3.23Å; D257-A259 WeakPolarHBondContact OD1-CB 3.43Å; D257-A259 PolarHBondContact OD1-N 2.91Å; D257-R260 HydrophobicContact CB-CB 4.16Å; D257-R260 CarbonylContact O-C 3.52Å; D257-R260 PolarHBondContact O-N 3.36Å; D257-R260 PolarHBondContact OD1-N 3.4Å; D257-R260 WeakPolarHBondContact OD2-CB 3.35Å; D257-R260 WeakPolarHBondContact OD2-CD 3.18Å; D257-R260 VanDerWaalsContact OD2-CG 3.28Å; D257-R260 WeakPolarHBondContact OD2-CG 3.27Å; D257-R260 IonicContact OD2-NE 3.59Å
258P80.9Confident86.6Confident49 Ų4971.8 Ų71.832%0.31833%0.333SS..SBendtrans-62.2-29.3178.2-21.732.2000113.6E113 Q261E113-P258 HydrophobicContact CB-CG 3.74Å; E113-P258 HydrophobicContact CG-CG 4.38Å; P258-Q261 WeakPolarHBondContact O-CG 3.4Å
259A81.6Confident86.9Confident93 Ų9371.8 Ų71.877%0.76934%0.336SS*.SBendtrans-77.2-28.1178.800000111.8D257D257-A259 PolarHBondContact O-N 3.23Å; D257-A259 WeakPolarHBondContact OD1-CB 3.43Å; D257-A259 PolarHBondContact OD1-N 2.91Å
260R82.6Confident87.1Confident201 Ų20167 Ų6776%0.75832%0.319SS*.SBendtrans-112.562.5179.5-63.5-178.1-175.4-155.22.2111.9D257D257-R260 HydrophobicContact CB-CB 4.16Å; D257-R260 CarbonylContact O-C 3.52Å; D257-R260 PolarHBondContact O-N 3.36Å; D257-R260 PolarHBondContact OD1-N 3.4Å; D257-R260 WeakPolarHBondContact OD2-CB 3.35Å; D257-R260 WeakPolarHBondContact OD2-CD 3.18Å; D257-R260 VanDerWaalsContact OD2-CG 3.28Å; D257-R260 WeakPolarHBondContact OD2-CG 3.27Å; D257-R260 IonicContact OD2-NE 3.59Å
261Q83.8Confident87.3Confident38 Ų3866 Ų6618%0.17831%0.31CS..  trans-59.6141.5174.6-64.8-178.9300112.1P258 R266P258-Q261 WeakPolarHBondContact O-CG 3.4Å; Q261-R266 PolarHBondContact O-NE 3.18Å
262P86.8Confident87.5Confident26 Ų2668.2 Ų68.217%0.16932%0.324CS..  trans-60.514917626.4-33.9000110.6F255 F264 S265F255-P262 HydrophobicContact CD1-CG 4.2Å; F255-P262 HydrophobicContact CE1-CG 4.04Å; P262-F264 HydrophobicContact CB-CD1 3.92Å; P262-F264 HydrophobicContact CB-CE1 3.46Å; P262-F264 VanDerWaalsContact CB-CE1 3.46Å; P262-F264 HydrophobicContact CB-CE2 4.34Å; P262-F264 HydrophobicContact CB-CZ 3.7Å; P262-F264 HydrophobicContact CG-CD1 4.44Å; P262-F264 HydrophobicContact CG-CD2 4.45Å; P262-F264 HydrophobicContact CG-CE1 3.83Å; P262-F264 HydrophobicContact CG-CE2 3.83Å; P262-F264 HydrophobicContact CG-CZ 3.48Å; P262-F264 VanDerWaalsContact CG-CZ 3.48Å; P262-F264 PolarHBondContact O-N 3.38Å; P262-S265 PolarHBondContact O-N 3.5Å
263W87.6Confident87.5Confident145 Ų14569 Ų6955%0.54933%0.33SS..G310 helixtrans-53.4-35.8-172.165.6-92.5000113.5S265 R266 V269 L282 V285W263-S265 VanDerWaalsContact C-N 3.28Å; W263-S265 PolarHBondContact O-N 2.89Å; W263-R266 PolarHBondContact O-N 3.34Å; W263-V269 HydrophobicContact CE3-CG1 4.1Å; W263-V269 HydrophobicContact CZ3-CG1 4.44Å; W263-V269 WeakPolarHBondContact O-CB 3.43Å; W263-V269 WeakPolarHBondContact O-CG2 3.46Å; W263-L282 HydrophobicContact CE3-CD1 4.44Å; W263-L282 HydrophobicContact CH2-CD1 4.29Å; W263-L282 HydrophobicContact CZ3-CD1 3.66Å; W263-V285 HydrophobicContact CH2-CG1 4.04Å; W263-V285 HydrophobicContact CZ2-CG1 4.06Å
264F86.4Confident87.5Confident14 Ų1468.5 Ų68.56%0.06133%0.328CS..G310 helixtrans-71.9-18.2-178.860.6-102.6000114A197 P262 L282 R289 T290A197-F264 HydrophobicContact CB-CZ 4.4Å; P262-F264 HydrophobicContact CB-CD1 3.92Å; P262-F264 HydrophobicContact CB-CE1 3.46Å; P262-F264 VanDerWaalsContact CB-CE1 3.46Å; P262-F264 HydrophobicContact CB-CE2 4.34Å; P262-F264 HydrophobicContact CB-CZ 3.7Å; P262-F264 HydrophobicContact CG-CD1 4.44Å; P262-F264 HydrophobicContact CG-CD2 4.45Å; P262-F264 HydrophobicContact CG-CE1 3.83Å; P262-F264 HydrophobicContact CG-CE2 3.83Å; P262-F264 HydrophobicContact CG-CZ 3.48Å; P262-F264 VanDerWaalsContact CG-CZ 3.48Å; P262-F264 PolarHBondContact O-N 3.38Å; F264-L282 HydrophobicContact CB-CD1 4.1Å; F264-R289 HydrophobicContact CD1-CB 4.45Å; F264-R289 HydrophobicContact CE1-CB 3.74Å; F264-R289 HydrophobicContact CE1-CG 4.15Å; F264-R289 HydrophobicContact CE2-CB 4.35Å; F264-R289 HydrophobicContact CZ-CB 3.69Å; F264-T290 HydrophobicContact CE2-CG2 4.38Å
265S85.4Confident87.4Confident27 Ų2771 Ų7119%0.18935%0.349CS..G310 helixtrans-94.2-11.3179-166.90000112.9F255 P262 W263F255-S265 WeakPolarHBondContact CZ-OG 3.4Å; P262-S265 PolarHBondContact O-N 3.5Å; W263-S265 VanDerWaalsContact C-N 3.28Å; W263-S265 PolarHBondContact O-N 2.89Å
266R86.9Confident87.4Confident129 Ų12978.1 Ų78.149%0.48738%0.38SS..  trans-71.1134.2-175.1-65.9-178.5-177.2-172.6-3.1111.3Q261 W263 R268 V269 F270Q261-R266 PolarHBondContact O-NE 3.18Å; W263-R266 PolarHBondContact O-N 3.34Å; R266-R268 VanDerWaalsContact C-N 3.31Å; R266-R268 PolarHBondContact O-N 3.26Å; R266-V269 HydrophobicContact CB-CB 4.36Å; R266-V269 HydrophobicContact CB-CG2 4.06Å; R266-V269 PolarHBondContact O-N 3Å; R266-V269 VanDerWaalsContact O-N 3.14Å; R266-F270 PolarHBondContact O-N 3.41Å
267H87.3Confident87.4Confident91 Ų9175.7 Ų75.742%0.42136%0.363SS..Hα-helixtrans-57.5-40.7179.8-53.1-33.8000113.1F103 V269 F270 W271F103-H267 HydrophobicContact CE2-CB 3.97Å; F103-H267 AromaticContact CE2-CG 3.79Å; F103-H267 AromaticContact CE2-ND1 3.28Å; F103-H267 VanDerWaalsContact CE2-ND1 3.28Å; F103-H267 WeakPolarHBondContact CE2-ND1 3.42Å; F103-H267 HydrophobicContact CZ-CB 4.07Å; F103-H267 AromaticContact CZ-CE1 3.96Å; F103-H267 AromaticContact CZ-CG 3.72Å; F103-H267 AromaticContact CZ-ND1 3.46Å; F103-H267 WeakPolarHBondContact CZ-ND1 3.41Å; H267-V269 PolarHBondContact O-N 3.26Å; H267-F270 PolarHBondContact O-N 2.76Å; H267-W271 VanDerWaalsContact O-CD1 3.24Å; H267-W271 PolarHBondContact O-N 3.32Å; H267-W271 VanDerWaalsContact O-N 3.08Å
268R89.5Confident87.6Confident218 Ų21876.9 Ų76.982%0.82337%0.369SS*.Hα-helixtrans-62.2-43.2178.6-64.3-174.4-176.5-177.11.2112.3R266 F270 W271 L272R266-R268 VanDerWaalsContact C-N 3.31Å; R266-R268 PolarHBondContact O-N 3.26Å; R268-F270 VanDerWaalsContact C-N 3.33Å; R268-W271 PolarHBondContact O-N 2.92Å; R268-L272 WeakPolarHBondContact O-CB 3.31Å; R268-L272 VanDerWaalsContact O-CG 3.28Å; R268-L272 WeakPolarHBondContact O-CG 3.35Å; R268-L272 PolarHBondContact O-N 3.46Å
269V90.4Very high87.9Confident44 Ų4474.5 Ų74.527%0.26735%0.354SS..Hα-helixtrans-66.9-40179.5177.50000110.2W263 R266 H267 L272 A273 L282W263-V269 HydrophobicContact CE3-CG1 4.1Å; W263-V269 HydrophobicContact CZ3-CG1 4.44Å; W263-V269 WeakPolarHBondContact O-CB 3.43Å; W263-V269 WeakPolarHBondContact O-CG2 3.46Å; R266-V269 HydrophobicContact CB-CB 4.36Å; R266-V269 HydrophobicContact CB-CG2 4.06Å; R266-V269 PolarHBondContact O-N 3Å; R266-V269 VanDerWaalsContact O-N 3.14Å; H267-V269 PolarHBondContact O-N 3.26Å; V269-L272 PolarHBondContact O-N 2.88Å; V269-A273 VanDerWaalsContact O-CB 3.28Å; V269-A273 WeakPolarHBondContact O-CB 3.48Å; V269-A273 PolarHBondContact O-N 2.88Å; V269-L282 HydrophobicContact CG1-CD1 4.28Å; V269-L282 HydrophobicContact CG1-CD2 4.38Å
270F89.7Confident88.2Confident22 Ų2273.6 Ų73.610%0.09633%0.33CS..Hα-helixtrans-59.2-48.5176.2-177.9-90.5000112.5C99 F103 R266 H267 R268 A273 S274 L282 R283C99-F270 HydrophobicContact CB-CE1 4.4Å; C99-F270 HydrophobicContact CB-CZ 4.43Å; F103-F270 HydrophobicContact CB-CD1 4.31Å; F103-F270 HydrophobicContact CB-CE1 3.7Å; F103-F270 HydrophobicContact CB-CZ 4.08Å; F103-F270 AromaticContact CD2-CD1 3.7Å; F103-F270 HydrophobicContact CD2-CD1 3.7Å; F103-F270 AromaticContact CD2-CE1 3.97Å; F103-F270 HydrophobicContact CD2-CE1 3.97Å; F103-F270 HydrophobicContact CD2-CG 4.19Å; F103-F270 HydrophobicContact CE2-CD1 4.48Å; F103-F270 HydrophobicContact CG-CD1 4.35Å; F103-F270 HydrophobicContact CG-CE1 4.21Å; R266-F270 PolarHBondContact O-N 3.41Å; H267-F270 PolarHBondContact O-N 2.76Å; R268-F270 VanDerWaalsContact C-N 3.33Å; F270-A273 PolarHBondContact O-N 3.41Å; F270-S274 VanDerWaalsContact O-CB 3.29Å; F270-S274 WeakPolarHBondContact O-CB 3.44Å; F270-S274 PolarHBondContact O-N 3Å; F270-S274 PolarHBondContact O-OG 3.31Å; F270-L282 HydrophobicContact CB-CD2 4.28Å; F270-L282 HydrophobicContact CD2-CD2 4.12Å; F270-R283 HydrophobicContact CE2-CG 4.48Å
271W91.4Very high88.4Confident90 Ų9065.7 Ų65.734%0.34131%0.305SS..Hα-helixtrans-69.7-38.2-179.8-76.8109.8000112.9W100 F103 H267 R268 S274 A275W100-W271 HydrophobicContact CB-CH2 4.37Å; W100-W271 AromaticContact CE3-CH2 3.67Å; W100-W271 HydrophobicContact CE3-CH2 3.67Å; W100-W271 AromaticContact CE3-CZ2 3.61Å; W100-W271 HydrophobicContact CE3-CZ2 3.61Å; W100-W271 HydrophobicContact CZ3-CH2 4.41Å; W100-W271 HydrophobicContact CZ3-CZ2 4.02Å; F103-W271 HydrophobicContact CD1-CZ2 4.43Å; F103-W271 HydrophobicContact CG-CZ2 4.45Å; H267-W271 VanDerWaalsContact O-CD1 3.24Å; H267-W271 PolarHBondContact O-N 3.32Å; H267-W271 VanDerWaalsContact O-N 3.08Å; R268-W271 PolarHBondContact O-N 2.92Å; W271-S274 PolarHBondContact O-N 3.45Å; W271-A275 PolarHBondContact O-N 3.09Å
272L92.3Very high88.7Confident111 Ų11164.4 Ų64.458%0.58130%0.299SS*.Hα-helixtrans-61.6-50.2172.8-73.3172.5000111.3R268 V269 S274 A275 F276R268-L272 WeakPolarHBondContact O-CB 3.31Å; R268-L272 VanDerWaalsContact O-CG 3.28Å; R268-L272 WeakPolarHBondContact O-CG 3.35Å; R268-L272 PolarHBondContact O-N 3.46Å; V269-L272 PolarHBondContact O-N 2.88Å; L272-S274 PolarHBondContact O-N 2.9Å; L272-A275 PolarHBondContact O-N 3.5Å; L272-F276 WeakPolarHBondContact O-CD2 3.47Å; L272-F276 PolarHBondContact O-N 3.24Å
273A90.9Very high88.7Confident16 Ų1663.7 Ų63.713%0.13229%0.293CS..Hα-helixtrans-61.1-36.8176.500000111.7V269 F270 F276 L277 L278 S279 L282V269-A273 VanDerWaalsContact O-CB 3.28Å; V269-A273 WeakPolarHBondContact O-CB 3.48Å; V269-A273 PolarHBondContact O-N 2.88Å; F270-A273 PolarHBondContact O-N 3.41Å; A273-F276 PolarHBondContact O-N 2.88Å; A273-L277 PolarHBondContact O-N 3.16Å; A273-L278 HydrophobicContact CB-CB 4.31Å; A273-L278 CarbonylContact O-C 3.42Å; A273-L278 WeakPolarHBondContact O-CA 3.46Å; A273-L278 PolarHBondContact O-N 2.96Å; A273-S279 PolarHBondContact O-N 3.47Å; A273-L282 HydrophobicContact CB-CB 4.28Å; A273-L282 HydrophobicContact CB-CD2 3.68Å
274S90.3Very high88.7Confident0 Ų057.5 Ų57.50%027%0.271CS..Hα-helixtrans-63.7-44176.8-60.20000111.8Y95 F270 W271 L272 F276 L277Y95-S274 WeakPolarHBondContact CE1-O 3.28Å; Y95-S274 WeakPolarHBondContact OH-CA 3.29Å; Y95-S274 PolarHBondContact OH-O 3Å; F270-S274 VanDerWaalsContact O-CB 3.29Å; F270-S274 WeakPolarHBondContact O-CB 3.44Å; F270-S274 PolarHBondContact O-N 3Å; F270-S274 PolarHBondContact O-OG 3.31Å; W271-S274 PolarHBondContact O-N 3.45Å; L272-S274 PolarHBondContact O-N 2.9Å; S274-F276 PolarHBondContact O-N 3.5Å; S274-L277 PolarHBondContact O-N 3.38Å; S274-L277 VanDerWaalsContact O-N 3.11Å
275A88.6Confident88.7Confident53 Ų5359.3 Ų59.344%0.43828%0.283SS..Hα-helixtrans-59.2-33.717600000112.9W271 L272 L277W271-A275 PolarHBondContact O-N 3.09Å; L272-A275 PolarHBondContact O-N 3.5Å; A275-L277 VanDerWaalsContact C-N 3.34Å; A275-L277 PolarHBondContact O-N 3.16Å
276F89.9Confident88.8Confident150 Ų15059.4 Ų59.466%0.65828%0.284SS*.THydrogen-bonded Turntrans-88.812.3177.9-69.8-69.1000114.8L272 A273 S274 L278L272-F276 WeakPolarHBondContact O-CD2 3.47Å; L272-F276 PolarHBondContact O-N 3.24Å; A273-F276 PolarHBondContact O-N 2.88Å; S274-F276 PolarHBondContact O-N 3.5Å; F276-L278 HydrophobicContact CB-CD1 4.2Å; F276-L278 HydrophobicContact CB-CG 4.23Å; F276-L278 PolarHBondContact O-N 3.26Å
277L88.6Confident88.8Confident13 Ų1354 Ų547%0.06826%0.264CS..THydrogen-bonded Turntrans62.418.3-175.7-52.1173.6000114T25 M28 Y29 F32 Y92 Y95 A273 S274 A275T25-L277 HydrophobicContact CG2-CB 4.16Å; M28-L277 HydrophobicContact CB-CD1 4.37Å; M28-L277 HydrophobicContact CE-CD1 3.85Å; M28-L277 HydrophobicContact CE-CD2 3.58Å; M28-L277 HydrophobicContact CE-CG 4.34Å; M28-L277 HydrophobicContact SD-CD1 4.33Å; M28-L277 HydrophobicContact SD-CD2 3.54Å; M28-L277 VanDerWaalsContact SD-CD2 3.54Å; Y29-L277 HydrophobicContact CE1-CD1 4.32Å; F32-L277 HydrophobicContact CE2-CD1 3.76Å; Y92-L277 HydrophobicContact CD2-CD2 4.31Å; Y92-L277 HydrophobicContact CE2-CD2 4.43Å; Y95-L277 HydrophobicContact CD1-CD2 4.12Å; Y95-L277 HydrophobicContact CE1-CD2 3.85Å; Y95-L277 HydrophobicContact CE2-CD2 4.43Å; Y95-L277 WeakPolarHBondContact OH-CA 3.47Å; A273-L277 PolarHBondContact O-N 3.16Å; S274-L277 PolarHBondContact O-N 3.38Å; S274-L277 VanDerWaalsContact O-N 3.11Å; A275-L277 VanDerWaalsContact C-N 3.34Å; A275-L277 PolarHBondContact O-N 3.16Å
278L88.7Confident88.7Confident84 Ų8453.8 Ų53.844%0.4426%0.261SS..  trans-102.124178.8-60.7176.7000112A273 F276 P281 L282A273-L278 HydrophobicContact CB-CB 4.31Å; A273-L278 CarbonylContact O-C 3.42Å; A273-L278 WeakPolarHBondContact O-CA 3.46Å; A273-L278 PolarHBondContact O-N 2.96Å; F276-L278 HydrophobicContact CB-CD1 4.2Å; F276-L278 HydrophobicContact CB-CG 4.23Å; F276-L278 PolarHBondContact O-N 3.26Å; L278-P281 HydrophobicContact CB-CG 3.97Å; L278-P281 HydrophobicContact CD2-CG 4.12Å; L278-P281 WeakPolarHBondContact O-CD 3.24Å; L278-P281 VanDerWaalsContact O-CG 3.26Å; L278-P281 WeakPolarHBondContact O-CG 3.41Å; L278-L282 WeakPolarHBondContact O-CB 3.5Å; L278-L282 PolarHBondContact O-N 3.19Å
279S86.8Confident88.6Confident0 Ų049.5 Ų49.50%024%0.244CC..Hα-helixtrans-70.4-37.3175.4650000112.6C21 Y95 A273 R283C21-S279 PolarHBondContact SG-OG 2.81Å; Y95-S279 VanDerWaalsContact CE2-OG 3.27Å; Y95-S279 WeakPolarHBondContact CE2-OG 3.38Å; Y95-S279 VanDerWaalsContact CZ-OG 3.28Å; Y95-S279 VanDerWaalsContact OH-CB 3.23Å; Y95-S279 WeakPolarHBondContact OH-CB 3.38Å; Y95-S279 PolarHBondContact OH-OG 3.38Å; A273-S279 PolarHBondContact O-N 3.47Å; S279-R283 WeakPolarHBondContact O-CB 3.11Å; S279-R283 WeakPolarHBondContact O-CG 3.34Å; S279-R283 PolarHBondContact O-N 3.08Å
280W87.4Confident88.6Confident74 Ų7448.1 Ų48.128%0.2824%0.236SC..Hα-helixtrans-63.4-46.8177.980.1-95.3000113.9L13 C21 L22 L282 R283 V284L13-W280 HydrophobicContact CD2-CZ3 4.48Å; C21-W280 HydrophobicContact CB-CB 4.34Å; L22-W280 HydrophobicContact CD1-CD2 3.75Å; L22-W280 HydrophobicContact CD1-CE3 4Å; L22-W280 HydrophobicContact CD1-CG 4.22Å; L22-W280 HydrophobicContact CD1-CH2 4.45Å; L22-W280 HydrophobicContact CD1-CZ2 4.23Å; L22-W280 HydrophobicContact CD1-CZ3 4.34Å; W280-L282 VanDerWaalsContact C-N 3.33Å; W280-L282 PolarHBondContact O-N 3.42Å; W280-R283 PolarHBondContact O-N 2.87Å; W280-V284 HydrophobicContact CE3-CG2 4.2Å; W280-V284 HydrophobicContact CZ3-CG2 4.5Å; W280-V284 WeakPolarHBondContact O-CG2 3.45Å; W280-V284 PolarHBondContact O-N 3.11Å
281P88.6Confident88.6Confident35 Ų3547.1 Ų47.123%0.22723%0.232CC..Hα-helixtrans-68.9-35.9179.529.8-36.9000110.9L278 R283 V284 V285L278-P281 HydrophobicContact CB-CG 3.97Å; L278-P281 HydrophobicContact CD2-CG 4.12Å; L278-P281 WeakPolarHBondContact O-CD 3.24Å; L278-P281 VanDerWaalsContact O-CG 3.26Å; L278-P281 WeakPolarHBondContact O-CG 3.41Å; P281-R283 VanDerWaalsContact C-N 3.3Å; P281-R283 PolarHBondContact O-N 2.95Å; P281-V284 PolarHBondContact O-N 3.28Å; P281-V285 WeakPolarHBondContact O-CG2 3.38Å; P281-V285 PolarHBondContact O-N 3.29Å
282L88.1Confident88.6Confident11 Ų1144.6 Ų44.66%0.05822%0.222CC..Hα-helixtrans-59.5-43174.3-177.967.5000111.1W263 F264 V269 F270 A273 L278 W280 V285 S286W263-L282 HydrophobicContact CE3-CD1 4.44Å; W263-L282 HydrophobicContact CH2-CD1 4.29Å; W263-L282 HydrophobicContact CZ3-CD1 3.66Å; F264-L282 HydrophobicContact CB-CD1 4.1Å; V269-L282 HydrophobicContact CG1-CD1 4.28Å; V269-L282 HydrophobicContact CG1-CD2 4.38Å; F270-L282 HydrophobicContact CB-CD2 4.28Å; F270-L282 HydrophobicContact CD2-CD2 4.12Å; A273-L282 HydrophobicContact CB-CB 4.28Å; A273-L282 HydrophobicContact CB-CD2 3.68Å; L278-L282 WeakPolarHBondContact O-CB 3.5Å; L278-L282 PolarHBondContact O-N 3.19Å; W280-L282 VanDerWaalsContact C-N 3.33Å; W280-L282 PolarHBondContact O-N 3.42Å; L282-V285 PolarHBondContact O-N 2.72Å; L282-S286 PolarHBondContact O-N 3.47Å; L282-S286 PolarHBondContact O-OG 2.89Å
283R87.6Confident88.6Confident11 Ų1139.6 Ų39.64%0.04220%0.196CC..Hα-helixtrans-65.5-38.3177.2-71.8174-158-169.710.4112.7C99 C102 F270 S279 W280 P281 S286 E287C99-R283 VanDerWaalsContact CA-NH2 3.34Å; C99-R283 PolarHBondContact SG-NH2 3.35Å; C102-R283 PolarHBondContact SG-NH1 2.97Å; C102-R283 VanDerWaalsContact SG-NH1 3.44Å; F270-R283 HydrophobicContact CE2-CG 4.48Å; S279-R283 WeakPolarHBondContact O-CB 3.11Å; S279-R283 WeakPolarHBondContact O-CG 3.34Å; S279-R283 PolarHBondContact O-N 3.08Å; W280-R283 PolarHBondContact O-N 2.87Å; P281-R283 VanDerWaalsContact C-N 3.3Å; P281-R283 PolarHBondContact O-N 2.95Å; R283-S286 WeakPolarHBondContact CA-OG 3.3Å; R283-S286 PolarHBondContact O-N 3.26Å; R283-S286 PolarHBondContact O-OG 3Å; R283-E287 VanDerWaalsContact O-CB 3.31Å; R283-E287 WeakPolarHBondContact O-CB 3.43Å; R283-E287 VanDerWaalsContact O-CG 3.27Å; R283-E287 WeakPolarHBondContact O-CG 3.23Å; R283-E287 PolarHBondContact O-N 3.44Å
284V86.9Confident88.6Confident15 Ų1542.3 Ų42.39%0.09121%0.206CC..Hα-helixtrans-65-43.8174.9173.50000110.3L13 W280 P281 E287 Y288L13-V284 HydrophobicContact CD2-CG1 4.18Å; L13-V284 HydrophobicContact CD2-CG2 3.82Å; L13-V284 HydrophobicContact CG-CG1 4.21Å; L13-V284 HydrophobicContact CG-CG2 4.47Å; W280-V284 HydrophobicContact CE3-CG2 4.2Å; W280-V284 HydrophobicContact CZ3-CG2 4.5Å; W280-V284 WeakPolarHBondContact O-CG2 3.45Å; W280-V284 PolarHBondContact O-N 3.11Å; P281-V284 PolarHBondContact O-N 3.28Å; V284-E287 PolarHBondContact O-N 3.1Å; V284-Y288 VanDerWaalsContact O-CB 3.26Å; V284-Y288 WeakPolarHBondContact O-CB 3.37Å; V284-Y288 PolarHBondContact O-N 3.27Å
285V88Confident88.7Confident51 Ų5142.3 Ų42.331%0.30921%0.206SC..Hα-helixtrans-64.2-43.1176.61720000111.3W263 P281 L282 Y288 R289W263-V285 HydrophobicContact CH2-CG1 4.04Å; W263-V285 HydrophobicContact CZ2-CG1 4.06Å; P281-V285 WeakPolarHBondContact O-CG2 3.38Å; P281-V285 PolarHBondContact O-N 3.29Å; L282-V285 PolarHBondContact O-N 2.72Å; V285-Y288 PolarHBondContact O-N 3.36Å; V285-R289 HydrophobicContact CG1-CG 4.34Å; V285-R289 WeakPolarHBondContact O-CB 3.44Å; V285-R289 VanDerWaalsContact O-CG 3.25Å; V285-R289 WeakPolarHBondContact O-CG 3.39Å; V285-R289 PolarHBondContact O-N 3.21Å
286S87Confident88.8Confident30 Ų3041.8 Ų41.821%0.2120%0.195CC..Hα-helixtrans-61.9-47.3177.965.70000111L282 R283 R289 T290L282-S286 PolarHBondContact O-N 3.47Å; L282-S286 PolarHBondContact O-OG 2.89Å; R283-S286 WeakPolarHBondContact CA-OG 3.3Å; R283-S286 PolarHBondContact O-N 3.26Å; R283-S286 PolarHBondContact O-OG 3Å; S286-R289 PolarHBondContact O-N 3.36Å; S286-T290 WeakPolarHBondContact O-CB 3.31Å; S286-T290 WeakPolarHBondContact O-CG2 3.09Å; S286-T290 PolarHBondContact O-N 3.48Å; S286-T290 PolarHBondContact O-OG1 3.48Å; S286-T290 VanDerWaalsContact O-OG1 3.04Å
287E86.2Confident89Confident15 Ų1534.7 Ų34.77%0.0716%0.163CC..Hα-helixtrans-63.7-41.4179.2-79.4-95.8151.800112.6S12 R15 R283 V284 R289 T290 Y292S12-E287 VanDerWaalsContact OG-CB 3.26Å; S12-E287 WeakPolarHBondContact OG-CB 3.43Å; R15-E287 IonicContact CZ-OE1 2.71Å; R15-E287 IonicContact CZ-OE2 4Å; R15-E287 VanDerWaalsContact CZ-OE2 3.26Å; R15-E287 IonicContact NE-OE2 2.7Å; R15-E287 IonicContact NH1-OE1 3.37Å; R15-E287 PolarHBondContact NH1-OE1 3.48Å; R15-E287 IonicContact NH1-OE2 3.29Å; R15-E287 PolarHBondContact NH1-OE2 3.18Å; R15-E287 IonicContact NH2-OE1 3.18Å; R15-E287 PolarHBondContact NH2-OE1 3.21Å; R15-E287 IonicContact NH2-OE2 3.26Å; R283-E287 VanDerWaalsContact O-CB 3.31Å; R283-E287 WeakPolarHBondContact O-CB 3.43Å; R283-E287 VanDerWaalsContact O-CG 3.27Å; R283-E287 WeakPolarHBondContact O-CG 3.23Å; R283-E287 PolarHBondContact O-N 3.44Å; V284-E287 PolarHBondContact O-N 3.1Å; E287-R289 VanDerWaalsContact C-N 3.33Å; E287-R289 PolarHBondContact O-N 3.47Å; E287-T290 VanDerWaalsContact CA-OG1 3.25Å; E287-T290 WeakPolarHBondContact CA-OG1 3.11Å; E287-T290 PolarHBondContact O-N 3.18Å; E287-T290 PolarHBondContact O-OG1 3.29Å; E287-Y292 PolarHBondContact OE1-OH 3.45Å; E287-Y292 PolarHBondContact OE2-OH 3.31Å
288Y85.4Confident89.2Confident87 Ų8735.9 Ų35.934%0.34117%0.169SC..Hα-helixtrans-65.5-36.7176.7174.8-115.8000112.6L9 V284 V285L9-Y288 HydrophobicContact CD1-CE2 4.37Å; L9-Y288 HydrophobicContact CD2-CD1 3.76Å; L9-Y288 HydrophobicContact CD2-CD2 3.28Å; L9-Y288 HydrophobicContact CD2-CE1 4.08Å; L9-Y288 HydrophobicContact CD2-CE2 3.64Å; L9-Y288 HydrophobicContact CD2-CG 3.34Å; L9-Y288 HydrophobicContact CG-CD2 3.68Å; L9-Y288 HydrophobicContact CG-CE2 3.61Å; L9-Y288 HydrophobicContact CG-CG 4.24Å; V284-Y288 VanDerWaalsContact O-CB 3.26Å; V284-Y288 WeakPolarHBondContact O-CB 3.37Å; V284-Y288 PolarHBondContact O-N 3.27Å; V285-Y288 PolarHBondContact O-N 3.36Å
289R88.1Confident89.4Confident127 Ų12732.1 Ų32.148%0.47915%0.149SC..Hα-helixtrans-81.8-19.5179-68.1-70.7-173.1126.1-0.8112.8P196 F264 V285 S286 E287P196-R289 HydrophobicContact CG-CB 4.46Å; P196-R289 WeakPolarHBondContact CG-O 3.3Å; F264-R289 HydrophobicContact CD1-CB 4.45Å; F264-R289 HydrophobicContact CE1-CB 3.74Å; F264-R289 HydrophobicContact CE1-CG 4.15Å; F264-R289 HydrophobicContact CE2-CB 4.35Å; F264-R289 HydrophobicContact CZ-CB 3.69Å; V285-R289 HydrophobicContact CG1-CG 4.34Å; V285-R289 WeakPolarHBondContact O-CB 3.44Å; V285-R289 VanDerWaalsContact O-CG 3.25Å; V285-R289 WeakPolarHBondContact O-CG 3.39Å; V285-R289 PolarHBondContact O-N 3.21Å; S286-R289 PolarHBondContact O-N 3.36Å; E287-R289 VanDerWaalsContact C-N 3.33Å; E287-R289 PolarHBondContact O-N 3.47Å
290T89.6Confident89.7Confident16 Ų1633.1 Ų33.110%0.09815%0.154CC..EExtended strand (participates in β ladder)trans-85.5128.4174.753.40000111.3A197 F264 S286 E287 Y292A197-T290 HydrophobicContact CB-CG2 3.7Å; A197-T290 WeakPolarHBondContact O-CA 3.37Å; F264-T290 HydrophobicContact CE2-CG2 4.38Å; S286-T290 WeakPolarHBondContact O-CB 3.31Å; S286-T290 WeakPolarHBondContact O-CG2 3.09Å; S286-T290 PolarHBondContact O-N 3.48Å; S286-T290 PolarHBondContact O-OG1 3.48Å; S286-T290 VanDerWaalsContact O-OG1 3.04Å; E287-T290 VanDerWaalsContact CA-OG1 3.25Å; E287-T290 WeakPolarHBondContact CA-OG1 3.11Å; E287-T290 PolarHBondContact O-N 3.18Å; E287-T290 PolarHBondContact O-OG1 3.29Å; T290-Y292 WeakPolarHBondContact O-CE2 3.33Å; T290-Y292 PolarHBondContact OG1-OH 2.88Å
291A91.2Very high90Very high0 Ų029.6 Ų29.60%014%0.141CC..EExtended strand (participates in β ladder)trans-88.6153.7170.600000111.2P4 Q6 H195 A197 V198 R199P4-A291 HydrophobicContact CB-CB 3.72Å; Q6-A291 HydrophobicContact CG-CB 3.99Å; H195-A291 HydrophobicContact CB-CB 3.97Å; A197-A291 PolarHBondContact O-N 3.36Å; V198-A291 CarbonylContact C-O 3.6Å; V198-A291 WeakPolarHBondContact CA-O 3.27Å; V198-A291 HydrophobicContact CG2-CB 4.44Å; R199-A291 PolarHBondContact N-O 2.89Å
292Y89.9Confident90Very high37 Ų3728.3 Ų28.315%0.14513%0.134CC..EExtended strand (participates in β ladder)trans-114135.8-178.2-68.1-101.5000110.6T5 Q7 R15 R199 E287 T290T5-Y292 PolarHBondContact N-O 2.88Å; T5-Y292 PolarHBondContact O-N 3.21Å; T5-Y292 PolarHBondContact OG1-O 2.95Å; Q7-Y292 HydrophobicContact CG-CD2 3.94Å; Q7-Y292 HydrophobicContact CG-CE2 4.25Å; R15-Y292 PolarHBondContact NH1-OH 3.37Å; R199-Y292 HydrophobicContact CB-CD1 4.21Å; R199-Y292 HydrophobicContact CB-CE1 4.24Å; R199-Y292 HydrophobicContact CG-CE1 4.41Å; E287-Y292 PolarHBondContact OE1-OH 3.45Å; E287-Y292 PolarHBondContact OE2-OH 3.31Å; T290-Y292 WeakPolarHBondContact O-CE2 3.33Å; T290-Y292 PolarHBondContact OG1-OH 2.88Å
293V92.1Very high89.5Confident6 Ų633.5 Ų33.54%0.03616%0.158CC..EExtended strand (participates in β ladder)trans-131.7126.9172.21800000108.7Q2 P4 L189 V198 R199 L200 R201Q2-V293 HydrophobicContact CG-CG1 4.23Å; P4-V293 HydrophobicContact CB-CG2 3.56Å; P4-V293 HydrophobicContact CG-CG2 4.37Å; L189-V293 HydrophobicContact CD1-CG1 3.81Å; L189-V293 HydrophobicContact CD1-CG2 4.47Å; V198-V293 HydrophobicContact CG1-CG2 3.82Å; R199-V293 PolarHBondContact O-N 3.23Å; L200-V293 CarbonylContact C-O 3.58Å; L200-V293 WeakPolarHBondContact CA-O 3.31Å; L200-V293 HydrophobicContact CG-CB 4.35Å; R201-V293 PolarHBondContact N-O 3.2Å
294H91.6Very high88.3Confident73 Ų7338.1 Ų38.134%0.33818%0.18SC..EExtended strand (participates in β ladder)trans-107.186.2171.6-176.6-152.1000110.4Q2 R201 T203 H296Q2-H294 PolarHBondContact NE2-O 3.44Å; R201-H294 CarbonylContact O-C 3.56Å; R201-H294 WeakPolarHBondContact O-CA 3.42Å; R201-H294 PolarHBondContact O-CD2 3.29Å; T203-H294 PolarHBondContact OG1-NE2 3.04Å; H294-H296 AromaticContact CE1-CE1 3.24Å; H294-H296 PolarHBondContact CE1-CE1 3.48Å; H294-H296 AromaticContact CE1-NE2 3.5Å; H294-H296 AromaticContact ND1-CE1 3.69Å; H294-H296 AromaticContact ND1-NE2 3.45Å; H294-H296 PolarHBondContact ND1-NE2 3.28Å; H294-H296 AromaticContact NE2-CE1 3.77Å; H294-H296 PolarHBondContact O-CD2 3.1Å
295Y92.1Very high86.9Confident0 Ų043.2 Ų43.20%020%0.203CC..EExtended strand (participates in β ladder)trans-79.8123.7-173.3-171.7-90.5000111.7V121 Q125 S186 K187 L189 R201 F202 T203 V297V121-Y295 HydrophobicContact CG1-CE1 4.21Å; V121-Y295 HydrophobicContact CG1-CE2 4.17Å; V121-Y295 WeakPolarHBondContact CG1-OH 3.23Å; Q125-Y295 PolarHBondContact NE2-OH 3.07Å; S186-Y295 VanDerWaalsContact CB-OH 3.32Å; S186-Y295 WeakPolarHBondContact CB-OH 3.21Å; K187-Y295 WeakPolarHBondContact O-CE2 3.27Å; K187-Y295 PolarHBondContact O-OH 3.37Å; K187-Y295 VanDerWaalsContact O-OH 3.1Å; L189-Y295 HydrophobicContact CB-CD2 4.15Å; L189-Y295 HydrophobicContact CB-CE2 3.89Å; L189-Y295 HydrophobicContact CD1-CD2 4.35Å; R201-Y295 PolarHBondContact O-N 3.11Å; F202-Y295 CarbonylContact C-O 3.53Å; F202-Y295 WeakPolarHBondContact CA-O 3.12Å; F202-Y295 AromaticContact CD1-CD1 3.7Å; F202-Y295 HydrophobicContact CD1-CD1 3.7Å; F202-Y295 HydrophobicContact CD1-CG 4.15Å; F202-Y295 AromaticContact CE1-CD1 3.86Å; F202-Y295 HydrophobicContact CE1-CD1 3.86Å; F202-Y295 HydrophobicContact CE1-CG 4.07Å; T203-Y295 PolarHBondContact N-O 3.23Å; Y295-V297 HydrophobicContact CD1-CG2 3.95Å; Y295-V297 HydrophobicContact CE1-CG2 3.82Å
296H91.8Very high85Confident43 Ų4347.1 Ų47.120%0.19922%0.222CC..EExtended strand (participates in β ladder)trans-97.4119.6175.3-63.2-86.6000110T203 C205 H294 E298T203-H296 WeakPolarHBondContact O-CA 3.5Å; C205-H296 PolarHBondContact SG-ND1 3.33Å; C205-H296 VanDerWaalsContact SG-ND1 3.45Å; H294-H296 AromaticContact CE1-CE1 3.24Å; H294-H296 PolarHBondContact CE1-CE1 3.48Å; H294-H296 AromaticContact CE1-NE2 3.5Å; H294-H296 AromaticContact ND1-CE1 3.69Å; H294-H296 AromaticContact ND1-NE2 3.45Å; H294-H296 PolarHBondContact ND1-NE2 3.28Å; H294-H296 AromaticContact NE2-CE1 3.77Å; H294-H296 PolarHBondContact O-CD2 3.1Å; H296-E298 HydrophobicContact CB-CG 4.06Å; H296-E298 PolarHBondContact O-N 2.91Å
297V93Very high83.1Confident0 Ų049.8 Ų49.80%025%0.254CS..EExtended strand (participates in β ladder)trans-85.797.7168.7-174.80000106.8L124 S186 T203 C205 L243 Y295L124-V297 HydrophobicContact CB-CG2 4.19Å; L124-V297 HydrophobicContact CD1-CG2 4.28Å; S186-V297 WeakPolarHBondContact OG-CA 3.27Å; T203-V297 PolarHBondContact O-N 2.9Å; C205-V297 PolarHBondContact N-O 2.73Å; L243-V297 HydrophobicContact CD1-CG1 4Å; Y295-V297 HydrophobicContact CD1-CG2 3.95Å; Y295-V297 HydrophobicContact CE1-CG2 3.82Å
298E92.6Very high80.9Confident39 Ų3952.4 Ų52.418%0.18229%0.285CS..EExtended strand (participates in β ladder)trans-100.2116.3-174.7-72.8-178.6-154.800110.9V185 S186 C205 H296V185-E298 HydrophobicContact CG2-CB 3.78Å; V185-E298 PolarHBondContact N-O 3.01Å; S186-E298 PolarHBondContact OG-N 2.91Å; C205-E298 HydrophobicContact CB-CG 3.75Å; C205-E298 WeakPolarHBondContact O-CA 3.48Å; H296-E298 HydrophobicContact CB-CG 4.06Å; H296-E298 PolarHBondContact O-N 2.91Å
299K94Very high79.1Confident4 Ų452.3 Ų52.32%0.01731%0.311CS..EExtended strand (participates in β ladder)trans-104.5123.4176-56.6-65.1-171.5-167.20109.9L124 Q125 A127 P129 V182 D184 C205 F206 S207 M241 L243 F301L124-K299 PolarHBondContact O-NZ 3.17Å; Q125-K299 VanDerWaalsContact C-NZ 3.3Å; Q125-K299 PolarHBondContact O-NZ 2.94Å; A127-K299 PolarHBondContact O-NZ 3.47Å; P129-K299 HydrophobicContact CB-CB 4.29Å; P129-K299 HydrophobicContact CB-CG 3.95Å; P129-K299 HydrophobicContact CG-CB 4.24Å; P129-K299 HydrophobicContact CG-CD 4.34Å; P129-K299 HydrophobicContact CG-CG 4.14Å; V182-K299 HydrophobicContact CG2-CB 4.45Å; D184-K299 HydrophobicContact CB-CD 4.5Å; D184-K299 WeakPolarHBondContact OD2-CD 3.44Å; D184-K299 WeakPolarHBondContact OD2-CE 3.25Å; D184-K299 IonicContact OD2-NZ 3.83Å; D184-K299 PolarHBondContact OD2-NZ 3.37Å; C205-K299 PolarHBondContact O-N 3.36Å; F206-K299 CarbonylContact C-O 3.59Å; F206-K299 WeakPolarHBondContact CA-O 3.31Å; S207-K299 PolarHBondContact N-O 3.46Å; M241-K299 HydrophobicContact CE-CG 4.37Å; M241-K299 HydrophobicContact SD-CG 4.46Å; L243-K299 HydrophobicContact CD2-CG 4.43Å; K299-F301 HydrophobicContact CB-CE2 4.03Å; K299-F301 HydrophobicContact CB-CZ 4.48Å
300L93.1Very high76.7Confident21 Ų2149.8 Ų49.811%0.1132%0.324CS..EExtended strand (participates in β ladder)trans-103.3123.1-178.8-174.366.7000109.7V182 K183 V185 S207V182-L300 WeakPolarHBondContact CA-O 3.36Å; K183-L300 PolarHBondContact N-O 3.06Å; K183-L300 PolarHBondContact O-N 3.01Å; V185-L300 HydrophobicContact CG1-CB 3.9Å; V185-L300 HydrophobicContact CG1-CD2 3.76Å; V185-L300 HydrophobicContact CG1-CG 4.49Å; V185-L300 HydrophobicContact CG2-CB 3.96Å; S207-L300 WeakPolarHBondContact O-CA 3.44Å; S207-L300 VanDerWaalsContact OG-CD1 3.25Å; S207-L300 WeakPolarHBondContact OG-CD1 3.45Å
301F93.1Very high74.2Confident0 Ų052.4 Ų52.40%035%0.354CS..EExtended strand (participates in β ladder)trans-104.9133.7-179.6-67.4-88.5000111.1P129 I131 F175 Y177 V182 F206 S207 F208 S209 K299P129-F301 HydrophobicContact CB-CZ 3.91Å; P129-F301 HydrophobicContact CG-CE1 4.04Å; P129-F301 HydrophobicContact CG-CZ 3.64Å; I131-F301 HydrophobicContact CD1-CD2 4.04Å; I131-F301 HydrophobicContact CD1-CE1 4.25Å; I131-F301 HydrophobicContact CD1-CE2 3.41Å; I131-F301 VanDerWaalsContact CD1-CE2 3.41Å; I131-F301 HydrophobicContact CD1-CZ 3.51Å; I131-F301 HydrophobicContact CG1-CE2 4.25Å; I131-F301 HydrophobicContact CG1-CZ 4.07Å; F175-F301 HydrophobicContact CE1-CD1 4.27Å; Y177-F301 HydrophobicContact CD1-CD1 4.29Å; Y177-F301 AromaticContact CD1-CE1 3.65Å; Y177-F301 HydrophobicContact CD1-CE1 3.65Å; Y177-F301 HydrophobicContact CD2-CD1 4.25Å; Y177-F301 HydrophobicContact CD2-CE1 4.01Å; Y177-F301 AromaticContact CE1-CE1 3.98Å; Y177-F301 HydrophobicContact CE1-CE1 3.98Å; Y177-F301 HydrophobicContact CE2-CE1 4.34Å; Y177-F301 AromaticContact CG-CD1 3.9Å; Y177-F301 HydrophobicContact CG-CD1 3.9Å; Y177-F301 AromaticContact CG-CE1 3.66Å; Y177-F301 HydrophobicContact CG-CE1 3.66Å; V182-F301 HydrophobicContact CB-CD1 4.18Å; V182-F301 HydrophobicContact CB-CE1 4.19Å; V182-F301 HydrophobicContact CG2-CD1 4Å; V182-F301 HydrophobicContact CG2-CE1 3.81Å; V182-F301 HydrophobicContact CG2-CG 4.5Å; V182-F301 HydrophobicContact CG2-CZ 4.13Å; F206-F301 HydrophobicContact CB-CD2 4.11Å; F206-F301 HydrophobicContact CB-CE2 3.66Å; F206-F301 HydrophobicContact CG-CE2 4.4Å; S207-F301 PolarHBondContact O-N 2.99Å; F208-F301 CarbonylContact C-O 3.55Å; F208-F301 VanDerWaalsContact CA-O 3.31Å; F208-F301 WeakPolarHBondContact CA-O 3.38Å; F208-F301 HydrophobicContact CD1-CB 3.64Å; F208-F301 HydrophobicContact CE1-CB 3.87Å; F208-F301 HydrophobicContact CE1-CD2 4.49Å; F208-F301 HydrophobicContact CE1-CG 4.32Å; S209-F301 PolarHBondContact N-O 3.43Å; S209-F301 PolarHBondContact OG-O 3.12Å; S209-F301 VanDerWaalsContact OG-O 3.1Å; K299-F301 HydrophobicContact CB-CE2 4.03Å; K299-F301 HydrophobicContact CB-CZ 4.48Å
302G87.8Confident71.5Confident8 Ų859.2 Ų59.28%0.08240%0.395CS..SBendtrans117148.1-178.600000112.5Y180 G181 S209Y180-G302 CarbonylContact O-C 3.08Å; Y180-G302 WeakPolarHBondContact O-CA 3.25Å; Y180-G302 PolarHBondContact O-N 2.97Å; G181-G302 PolarHBondContact O-N 3.21Å; S209-G302 WeakPolarHBondContact OG-CA 3.27Å; S209-G302 PolarHBondContact OG-O 2.94Å
303E78.3Confident68.8Low121 Ų12163 Ų6357%0.56542%0.423SS*.  trans-66.6139.4179.3-63.7176.3146.700110.6Y180 E305Y180-E303 PolarHBondContact O-N 3.47Å; Y180-E303 VanDerWaalsContact O-N 3.1Å; E303-E305 PolarHBondContact O-N 3.11Å
304E63.4Low66.2Low107 Ų10769.6 Ų69.650%0.546%0.462SS..  trans-68.5109.6160.5-73.3179.2153.500105.9K183 D306K183-E304 IonicContact NZ-OE1 2.75Å; K183-E304 PolarHBondContact NZ-OE1 3.01Å; K183-E304 IonicContact NZ-OE2 3.17Å; K183-E304 PolarHBondContact NZ-OE2 2.79Å; E304-D306 PolarHBondContact O-N 2.91Å
305E57Low63.3Low122 Ų12269.4 Ų69.457%0.5748%0.48SS*.  trans-6482.2157-75.3174.7170.500105.8E303 G307 R346E303-E305 PolarHBondContact O-N 3.11Å; E305-G307 PolarHBondContact O-N 3.4Å; E305-R346 IonicContact OE2-CZ 3.53Å; E305-R346 IonicContact OE2-NH2 3.22Å; E305-R346 PolarHBondContact OE2-NH2 3.43Å
306D48.2Very low60.4Low133 Ų13373.2 Ų73.271%0.71152%0.519SS*.  trans-52.2126.6169.9-82.5-31000106.9E304 G308E304-D306 PolarHBondContact O-N 2.91Å; D306-G308 PolarHBondContact O-N 2.82Å
307G47.2Very low57.6Low87 Ų8780.6 Ų80.690%0.89755%0.554SS**  trans-6664.2170.800000111E305 G309E305-G307 PolarHBondContact O-N 3.4Å; G307-G309 VanDerWaalsContact C-N 3.34Å; G307-G309 PolarHBondContact O-N 2.99Å
308G39.8Very low54.6Low69 Ų6984.5 Ų84.571%0.71159%0.593SS**  trans-92.359174.600000111.3D306 G310D306-G308 PolarHBondContact O-N 2.82Å; G308-G310 PolarHBondContact O-N 2.88Å
309G47.6Very low51.7Low86 Ų8686.4 Ų86.489%0.88762%0.624SS**  trans-72.999.6150.200000107.5G307G307-G309 VanDerWaalsContact C-N 3.34Å; G307-G309 PolarHBondContact O-N 2.99Å
310G38.3Very low48.6Very low74 Ų7490.4 Ų90.476%0.76367%0.666SS**  trans163.868.8176.100000117.4G308G308-G310 PolarHBondContact O-N 2.88Å
311G35.9Very low45.6Very low70 Ų7093 Ų9372%0.72270%0.698SS**  trans81.4150138.700000119.8
312V33.8Very low42.6Very low143 Ų143105.2 Ų105.287%0.86774%0.744SS**  trans94.4122164.9-173.80000115
313V33.9Very low39.8Very low118 Ų118107.8 Ų107.872%0.71577%0.771SS**  cis-154.9121-13.8147.80000102.9G315V313-G315 PolarHBondContact O-N 2.9Å
314V36.8Very low37.6Very low144 Ų144110.1 Ų110.187%0.87379%0.787SS**  trans-79.6113.7159.81750000105.7G316V314-G316 PolarHBondContact O-N 3.38Å
315G32.3Very low36Very low69 Ų69109.7 Ų109.771%0.71180%0.802SS**  trans-59.9105.2174.500000110.2V313V313-G315 PolarHBondContact O-N 2.9Å
316G31.5Very low34.9Very low79 Ų79111 Ų11181%0.81482%0.818SS**  trans-81.6122.4166.800000110V314V314-G316 PolarHBondContact O-N 3.38Å
317Q32.2Very low34Very low199 Ų199113.9 Ų113.993%0.9383%0.827SS**  trans-105.6108.4162.9-165.316379.500108.2
318G29.5Very low33.1Very low81 Ų81113.4 Ų113.484%0.83582%0.822SS**  trans61.5121146.100000120.3
319G31.8Very low32.5Very low80 Ų80113.4 Ų113.483%0.82582%0.822SS**  trans168.310515700000113.2
320G28.5Very low31.6Very low88 Ų88115.5 Ų115.591%0.90782%0.818SS**  trans-73.2179-170.200000117.9
321G31Very low31.1Very low75 Ų75119.8 Ų119.877%0.77382%0.818SS**  trans129.188.9168.900000112.3
322R29.4Very low30.7Very low256 Ų256123.9 Ų123.997%0.96682%0.823SS**  69.4114.181.9-153.5-179.1-174.7173.7-0.2113.3
323G29.4Very low30.4Very low63 Ų63120.5 Ų120.565%0.64982%0.817SS**  trans116.6105.9148.500000118.1
324D32Very low30.1Very low169 Ų169123.3 Ų123.390%0.90483%0.827SS**  trans70117.8134.2-56.7-20000122.9
325A30.9Very low29.6Very low99 Ų99120.1 Ų120.182%0.81882%0.823SS**  trans-72.2139.8162.100000111.4
326V32.9Very low29.7Very low148 Ų148124 Ų12490%0.89783%0.833SS**  trans-136.8124.6151.9173.10000108.5
327E29.1Very low29.5Very low195 Ų195123.5 Ų123.591%0.91183%0.827SS**  trans-94.8151.3175.5-172.4-177.7-168.100109.8
328G28.8Very low29.2Very low77 Ų77124 Ų12479%0.79483%0.827SS**  trans137.3123.9171.500000110.2
329G26.9Very low29.1Very low68 Ų68123.6 Ų123.670%0.70182%0.823SS**  cis133.8126.521.600000107.4
330T28.7Very low29Very low131 Ų131127.5 Ų127.580%0.80482%0.824SS**  trans74.4104.716050.20000121.7
331E27.1Very low29.1Very low164 Ų164130.8 Ų130.877%0.76682%0.821SS**  73.9129112.6-70-177.1172.700123.6
332N29.3Very low29Very low155 Ų155130.7 Ų130.783%0.82982%0.82SS**  trans95.8115.8145.6-59.5-27.4000120.1
333G25.5Very low29.1Very low72 Ų72123.9 Ų123.974%0.74281%0.807SS**  trans142.978.9147.200000118.3
334I28.8Very low29.1Very low178 Ų178126 Ų12691%0.91381%0.811SS**  trans47.899.6138.3-50.2170.4000117.3
335G26.7Very low29.1Very low76 Ų76127.8 Ų127.878%0.78481%0.807SS**  trans-130.6102.9165.300000111.4G337G335-G337 PolarHBondContact O-N 3.39Å
336T33.4Very low29.4Very low151 Ų151131.4 Ų131.493%0.92680%0.799SS**  trans-56.2119.9164190000110.9
337G27.1Very low29.7Very low68 Ų68128.7 Ų128.770%0.70179%0.792SS**  trans-155.599.1172.400000110.7G335 G339G335-G337 PolarHBondContact O-N 3.39Å; G337-G339 PolarHBondContact O-N 3.48Å; G337-G339 VanDerWaalsContact O-N 3.14Å
338F27.2Very low30.3Very low210 Ų210123.6 Ų123.692%0.92177%0.77SS**  trans-55.7109.5171.2-101-104.8000110.3L340F338-L340 PolarHBondContact O-N 2.89Å
339G26Very low30.9Very low72 Ų72121.8 Ų121.874%0.74275%0.746SS**  trans-79.8100.616800000110.6G337 N341G337-G339 PolarHBondContact O-N 3.48Å; G337-G339 VanDerWaalsContact O-N 3.14Å; G339-N341 PolarHBondContact O-N 3.49Å
340L31.3Very low31.6Very low163 Ų163127.2 Ų127.285%0.85375%0.745SS**  trans-78.494163.3-75.7167.7000108.5F338 G342F338-L340 PolarHBondContact O-N 2.89Å; L340-G342 VanDerWaalsContact C-N 3.28Å; L340-G342 PolarHBondContact O-N 3.37Å
341N30.6Very low32.4Very low157 Ų157123 Ų12384%0.8472%0.719SS**  trans-67.791.2159.1-83.7-14000108.3G339 T343G339-N341 PolarHBondContact O-N 3.49Å; N341-T343 VanDerWaalsContact C-N 3.34Å; N341-T343 PolarHBondContact O-N 2.86Å
342G29.1Very low33Very low73 Ų73119.5 Ų119.575%0.75371%0.705SS**  trans-74.382.9172.200000111.2L340 S344L340-G342 VanDerWaalsContact C-N 3.28Å; L340-G342 PolarHBondContact O-N 3.37Å; G342-S344 PolarHBondContact O-N 3.33Å
343T30.4Very low33.7Very low113 Ų113114.5 Ų114.569%0.69368%0.681SS**  trans-69.279.1152.653.10000107.4N341 Y345N341-T343 VanDerWaalsContact C-N 3.34Å; N341-T343 PolarHBondContact O-N 2.86Å; T343-Y345 PolarHBondContact O-N 3.36Å
344S30.2Very low34.4Very low106 Ų106115 Ų11574%0.74167%0.669SS**  trans-66.1106.9166.6-1720000106.5G342 R346G342-S344 PolarHBondContact O-N 3.33Å; S344-R346 VanDerWaalsContact C-N 3.32Å; S344-R346 PolarHBondContact O-N 2.94Å
345Y31.3Very low34.9Very low207 Ų207109.2 Ų109.281%0.81264%0.64SS**  trans-52.9101.3164.3-68.3-94.8000106.8T343 A347T343-Y345 PolarHBondContact O-N 3.36Å; Y345-A347 PolarHBondContact O-N 3.39Å
346R36.9Very low35.3Very low175 Ų175113.4 Ų113.466%0.6664%0.641SS**  trans-63.685.3165.1-99.5-175.1174.7154.60.5106.4E305 S344 I348E305-R346 IonicContact OE2-CZ 3.53Å; E305-R346 IonicContact OE2-NH2 3.22Å; E305-R346 PolarHBondContact OE2-NH2 3.43Å; S344-R346 VanDerWaalsContact C-N 3.32Å; S344-R346 PolarHBondContact O-N 2.94Å; R346-I348 PolarHBondContact O-N 3.08Å
347A38.4Very low35.6Very low91 Ų91110.4 Ų110.475%0.75262%0.623SS**  trans-66.6104.5171.400000106.8Y345 S349Y345-A347 PolarHBondContact O-N 3.39Å; A347-S349 PolarHBondContact O-N 2.93Å; A347-S349 VanDerWaalsContact O-N 3.08Å
348I43Very low36.2Very low88 Ų88111.7 Ų111.745%0.45161%0.61SS.*  trans-60.1113.9172.6-63.4170.2000107R346 R350R346-I348 PolarHBondContact O-N 3.08Å; I348-R350 HydrophobicContact CG2-CG 4.24Å; I348-R350 PolarHBondContact O-N 3.35Å
349S41.6Very low37.2Very low39 Ų39106.2 Ų106.227%0.27359%0.59SS.*EExtended strand (participates in β ladder)trans-66.4103173-173.50000107.6E214 A347E214-S349 VanDerWaalsContact OE1-CB 3.23Å; E214-S349 WeakPolarHBondContact OE1-CB 3.36Å; E214-S349 PolarHBondContact OE1-OG 3.04Å; A347-S349 PolarHBondContact O-N 2.93Å; A347-S349 VanDerWaalsContact O-N 3.08Å
350R42Very low38.1Very low183 Ų183107.1 Ų107.169%0.69158%0.575SS**EExtended strand (participates in β ladder)trans-92.9117.5177-70.1-172173.9110.61.1108.5I348I348-R350 HydrophobicContact CG2-CG 4.24Å; I348-R350 PolarHBondContact O-N 3.35Å
351V45.3Very low38.7Very low42 Ų42107.2 Ų107.226%0.25557%0.565SS.*EExtended strand (participates in β ladder)trans-103.3107.8169.9-176.70000107.1F206F206-V351 HydrophobicContact CE1-CB 4.46Å; F206-V351 HydrophobicContact CE1-CG1 4.32Å; F206-V351 HydrophobicContact CE2-CB 3.88Å; F206-V351 HydrophobicContact CE2-CG1 4.25Å; F206-V351 HydrophobicContact CE2-CG2 4.27Å; F206-V351 HydrophobicContact CZ-CB 3.84Å; F206-V351 HydrophobicContact CZ-CG1 3.73Å
352N39.9Very low39.2Very low90 Ų90106 Ų10648%0.48155%0.553SS.*EExtended strand (participates in β ladder)trans-89.6127.5174-146.418.9000108V354N352-V354 PolarHBondContact O-N 3.12Å; N352-V354 VanDerWaalsContact O-N 3.07Å
353T42.9Very low40.1Very low50 Ų50107.9 Ų107.931%0.30755%0.545SS..  trans-73.9100.4170.753.60000107.4F206 D355F206-T353 HydrophobicContact CE1-CG2 4.2Å; T353-D355 PolarHBondContact O-N 3.45Å
354V41.2Very low40.7Very low84 Ų84111 Ų11151%0.50954%0.544SS..  trans-61.7130.5178.5-178.80000109N352 E358 L359N352-V354 PolarHBondContact O-N 3.12Å; N352-V354 VanDerWaalsContact O-N 3.07Å; V354-E358 HydrophobicContact CG1-CB 4.04Å; V354-E358 HydrophobicContact CG1-CG 4.32Å; V354-L359 HydrophobicContact CG1-CB 4.2Å
355D38.9Very low41.1Very low55 Ų55109.1 Ų109.129%0.29453%0.53SS..  trans-67.9140.4176.4-173.1-23.3000109.7R201 T353 T357 E358 L359R201-D355 IonicContact NH2-OD2 3.44Å; R201-D355 PolarHBondContact NH2-OD2 2.81Å; T353-D355 PolarHBondContact O-N 3.45Å; D355-T357 PolarHBondContact O-N 3.15Å; D355-T357 PolarHBondContact OD1-N 2.92Å; D355-T357 PolarHBondContact OD1-OG1 3.28Å; D355-T357 PolarHBondContact OD2-OG1 2.85Å; D355-E358 HydrophobicContact CB-CB 4.36Å; D355-E358 PolarHBondContact O-N 3.49Å; D355-L359 PolarHBondContact O-N 2.9Å
356M34.6Very low41.6Very low164 Ų164104 Ų10481%0.80852%0.517SS*.Hα-helixtrans-53.2-31177.8-89.5170.773.700111.9E360M356-E360 VanDerWaalsContact O-CB 3.26Å; M356-E360 WeakPolarHBondContact O-CB 3.05Å; M356-E360 PolarHBondContact O-N 2.88Å
357T39.8Very low42Very low88 Ų88104.1 Ų104.154%0.5453%0.525SS..Hα-helixtrans-73.3-31.7178.458.50000113.8D355 W361D355-T357 PolarHBondContact O-N 3.15Å; D355-T357 PolarHBondContact OD1-N 2.92Å; D355-T357 PolarHBondContact OD1-OG1 3.28Å; D355-T357 PolarHBondContact OD2-OG1 2.85Å; T357-W361 WeakPolarHBondContact O-CB 3.25Å; T357-W361 PolarHBondContact O-N 3.26Å
358E40.4Very low42Very low95 Ų95107.1 Ų107.144%0.44452%0.523SS..Hα-helixtrans-80.4-36177.1-170172.3-162.400110.8V354 D355 W361 H362V354-E358 HydrophobicContact CG1-CB 4.04Å; V354-E358 HydrophobicContact CG1-CG 4.32Å; D355-E358 HydrophobicContact CB-CB 4.36Å; D355-E358 PolarHBondContact O-N 3.49Å; E358-W361 PolarHBondContact O-N 3.29Å; E358-H362 WeakPolarHBondContact O-CB 3.48Å; E358-H362 PolarHBondContact O-CD2 3.01Å; E358-H362 PolarHBondContact O-N 3.01Å
359L47.4Very low41.9Very low95 Ų95111.3 Ų111.350%0.49754%0.543SS..Hα-helixtrans-62.9-45.5169.8-165.982.7000111.1V354 D355 W361 H362 I363V354-L359 HydrophobicContact CG1-CB 4.2Å; D355-L359 PolarHBondContact O-N 2.9Å; L359-W361 VanDerWaalsContact C-N 3.3Å; L359-W361 PolarHBondContact O-N 3.34Å; L359-H362 PolarHBondContact O-N 3.08Å; L359-I363 HydrophobicContact CD2-CD1 4.28Å; L359-I363 HydrophobicContact CG-CD1 4.05Å; L359-I363 WeakPolarHBondContact O-CB 3.28Å; L359-I363 WeakPolarHBondContact O-CD1 3.42Å; L359-I363 WeakPolarHBondContact O-CG1 3.43Å; L359-I363 PolarHBondContact O-N 2.95Å
360E44.1Very low41.8Very low92 Ų92115.6 Ų115.643%0.4357%0.568SS.*Hα-helixtrans-62.6-37.9175.9-171179.2-179.600111.5M356 I363 R364M356-E360 VanDerWaalsContact O-CB 3.26Å; M356-E360 WeakPolarHBondContact O-CB 3.05Å; M356-E360 PolarHBondContact O-N 2.88Å; E360-I363 PolarHBondContact O-N 3.37Å; E360-R364 WeakPolarHBondContact O-CB 3.49Å; E360-R364 WeakPolarHBondContact O-CG 3.29Å; E360-R364 PolarHBondContact O-N 2.85Å; E360-R364 IonicContact OE1-CZ 3.37Å; E360-R364 IonicContact OE1-NE 3.39Å; E360-R364 PolarHBondContact OE1-NE 2.83Å; E360-R364 IonicContact OE1-NH2 3.59Å; E360-R364 PolarHBondContact OE1-NH2 2.98Å
361W43.9Very low41.7Very low165 Ų165110 Ų11063%0.62556%0.555SS**Hα-helixtrans-65.9-43.9174.2-149.996.8000111.9T357 E358 L359 I363 R364 C365T357-W361 WeakPolarHBondContact O-CB 3.25Å; T357-W361 PolarHBondContact O-N 3.26Å; E358-W361 PolarHBondContact O-N 3.29Å; L359-W361 VanDerWaalsContact C-N 3.3Å; L359-W361 PolarHBondContact O-N 3.34Å; W361-I363 VanDerWaalsContact C-N 3.31Å; W361-I363 PolarHBondContact O-N 3.42Å; W361-R364 PolarHBondContact O-N 2.87Å; W361-C365 HydrophobicContact CE3-CB 3.88Å; W361-C365 HydrophobicContact CH2-CB 4.36Å; W361-C365 WeakPolarHBondContact CH2-SG 3.45Å; W361-C365 HydrophobicContact CZ3-CB 3.71Å; W361-C365 WeakPolarHBondContact CZ3-SG 3.06Å; W361-C365 VanDerWaalsContact O-CB 3.3Å; W361-C365 WeakPolarHBondContact O-CB 3.1Å; W361-C365 PolarHBondContact O-N 3.28Å
362H41.7Very low41.8Very low130 Ų130111 Ų11160%0.60256%0.563SS**Hα-helixtrans-61.3-38173.9-96.6-86.5000112.3E358 L359 N366E358-H362 WeakPolarHBondContact O-CB 3.48Å; E358-H362 PolarHBondContact O-CD2 3.01Å; E358-H362 PolarHBondContact O-N 3.01Å; L359-H362 PolarHBondContact O-N 3.08Å; H362-N366 WeakPolarHBondContact O-CB 3.25Å; H362-N366 PolarHBondContact O-N 3.3Å; H362-N366 VanDerWaalsContact O-N 3.12Å
363I48.9Very low41.9Very low114 Ų114116.2 Ų116.259%0.58558%0.578SS**Hα-helixtrans-69.2-44.7176.2-68163.1000110.8L359 E360 W361 C365 N366L359-I363 HydrophobicContact CD2-CD1 4.28Å; L359-I363 HydrophobicContact CG-CD1 4.05Å; L359-I363 WeakPolarHBondContact O-CB 3.28Å; L359-I363 WeakPolarHBondContact O-CD1 3.42Å; L359-I363 WeakPolarHBondContact O-CG1 3.43Å; L359-I363 PolarHBondContact O-N 2.95Å; E360-I363 PolarHBondContact O-N 3.37Å; W361-I363 VanDerWaalsContact C-N 3.31Å; W361-I363 PolarHBondContact O-N 3.42Å; I363-C365 PolarHBondContact O-N 3.17Å; I363-N366 PolarHBondContact O-N 3.17Å
364R42.1Very low42.4Very low178 Ų178117.7 Ų117.767%0.67259%0.59SS**Hα-helixtrans-72.1-26.9-179.9-70.3-161.7-167.3-170.95.7113.9E360 W361E360-R364 WeakPolarHBondContact O-CB 3.49Å; E360-R364 WeakPolarHBondContact O-CG 3.29Å; E360-R364 PolarHBondContact O-N 2.85Å; E360-R364 IonicContact OE1-CZ 3.37Å; E360-R364 IonicContact OE1-NE 3.39Å; E360-R364 PolarHBondContact OE1-NE 2.83Å; E360-R364 IonicContact OE1-NH2 3.59Å; E360-R364 PolarHBondContact OE1-NH2 2.98Å; W361-R364 PolarHBondContact O-N 2.87Å
365C39.6Very low42.9Very low67 Ų67118.4 Ų118.445%0.45359%0.588SS.*Hα-helixtrans-92-3.9176.3-69.50000113.6W361 I363 Q367W361-C365 HydrophobicContact CE3-CB 3.88Å; W361-C365 HydrophobicContact CH2-CB 4.36Å; W361-C365 WeakPolarHBondContact CH2-SG 3.45Å; W361-C365 HydrophobicContact CZ3-CB 3.71Å; W361-C365 WeakPolarHBondContact CZ3-SG 3.06Å; W361-C365 VanDerWaalsContact O-CB 3.3Å; W361-C365 WeakPolarHBondContact O-CB 3.1Å; W361-C365 PolarHBondContact O-N 3.28Å; I363-C365 PolarHBondContact O-N 3.17Å; C365-Q367 PolarHBondContact O-N 3.21Å
366N40.7Very low43.6Very low98 Ų98117.8 Ų117.852%0.52459%0.59SS.*  trans-77.174.3169.9-160.6-0000110.1H362 I363 Q368H362-N366 WeakPolarHBondContact O-CB 3.25Å; H362-N366 PolarHBondContact O-N 3.3Å; H362-N366 VanDerWaalsContact O-N 3.12Å; I363-N366 PolarHBondContact O-N 3.17Å; N366-Q368 PolarHBondContact O-N 3.39Å; N366-Q368 WeakPolarHBondContact OD1-CB 2.94Å; N366-Q368 PolarHBondContact OD1-N 3.34Å
367Q45.4Very low44.4Very low179 Ų179114.5 Ų114.584%0.83658%0.576SS**  trans-82.241168.1-71.3-175.4-1.500111.4C365 M369C365-Q367 PolarHBondContact O-N 3.21Å; Q367-M369 PolarHBondContact O-N 3.36Å
368Q38.2Very low44.8Very low153 Ų153115.9 Ų115.972%0.71558%0.579SS**  trans-69.299.5162.8-96.8179.6-2900107.9N366 V370N366-Q368 PolarHBondContact O-N 3.39Å; N366-Q368 WeakPolarHBondContact OD1-CB 2.94Å; N366-Q368 PolarHBondContact OD1-N 3.34Å; Q368-V370 PolarHBondContact O-N 2.95Å; Q368-V370 VanDerWaalsContact O-N 3.1Å
369M40.5Very low45.2Very low176 Ų176116.9 Ų116.987%0.86759%0.585SS**  trans-58.9113.3155.7-81.7-175.1-82.800106.6Q367 P371Q367-M369 PolarHBondContact O-N 3.36Å; M369-P371 WeakPolarHBondContact O-CD 3.35Å
370V40.2Very low45.2Very low130 Ų130118 Ų11879%0.78859%0.591SS**PPolyproline II helixtrans-62.5120.4169.11800000106.1Q368 S372Q368-V370 PolarHBondContact O-N 2.95Å; Q368-V370 VanDerWaalsContact O-N 3.1Å; V370-S372 PolarHBondContact O-N 2.98Å
371P40.6Very low45.5Very low65 Ų65119 Ų11942%0.42260%0.6SS.*PPolyproline II helixtrans-54142.2177.4-23.732.8000109.8M369 E375M369-P371 WeakPolarHBondContact O-CD 3.35Å; P371-E375 WeakPolarHBondContact CA-OE2 3.17Å; P371-E375 HydrophobicContact CB-CB 3.97Å; P371-E375 HydrophobicContact CB-CG 4.08Å; P371-E375 WeakPolarHBondContact CB-OE2 3.25Å
372S46.6Very low45.6Very low62 Ų62118.3 Ų118.343%0.43461%0.608SS.*PPolyproline II helixtrans-56.5149.4170.566.10000109.4V370 S374 E375 A376V370-S372 PolarHBondContact O-N 2.98Å; S372-S374 PolarHBondContact O-N 2.83Å; S372-S374 PolarHBondContact OG-OG 3.31Å; S372-E375 WeakPolarHBondContact O-CA 3.3Å; S372-E375 WeakPolarHBondContact O-CB 3.37Å; S372-E375 PolarHBondContact O-N 3.28Å; S372-E375 PolarHBondContact OG-N 3.45Å; S372-A376 PolarHBondContact O-N 3.23Å; S372-A376 VanDerWaalsContact O-N 3.11Å
373Y42.8Very low45.7Very low201 Ų201117.1 Ų117.179%0.78862%0.615SS**Hα-helixtrans-55.9-28.5-178-149.6-89.4000112.4L377Y373-L377 HydrophobicContact CD1-CD1 3.97Å; Y373-L377 HydrophobicContact CE1-CD1 4.19Å; Y373-L377 PolarHBondContact O-N 2.85Å
374S53.1Low45.2Very low80 Ų80116.3 Ų116.356%0.55962%0.619SS**Hα-helixtrans-67.6-31.9171.937.50000114.5S372 L378S372-S374 PolarHBondContact O-N 2.83Å; S372-S374 PolarHBondContact OG-OG 3.31Å; S374-L378 PolarHBondContact O-N 3.36Å
375E51.6Low45.2Very low99 Ų99111.2 Ų111.246%0.46362%0.622SS.*Hα-helixtrans-80.3-35.3178.3-170178.8-169.400111.3P371 S372 L378 M379P371-E375 WeakPolarHBondContact CA-OE2 3.17Å; P371-E375 HydrophobicContact CB-CB 3.97Å; P371-E375 HydrophobicContact CB-CG 4.08Å; P371-E375 WeakPolarHBondContact CB-OE2 3.25Å; S372-E375 WeakPolarHBondContact O-CA 3.3Å; S372-E375 WeakPolarHBondContact O-CB 3.37Å; S372-E375 PolarHBondContact O-N 3.28Å; S372-E375 PolarHBondContact OG-N 3.45Å; E375-L378 PolarHBondContact O-N 3.5Å; E375-M379 VanDerWaalsContact O-CG 3.29Å; E375-M379 WeakPolarHBondContact O-CG 3.47Å; E375-M379 PolarHBondContact O-N 2.87Å
376A53.3Low45.1Very low42 Ų42113 Ų11335%0.34764%0.635SS.*Hα-helixtrans-64.6-39.7172.700000112.4S372 L378 M379 D380S372-A376 PolarHBondContact O-N 3.23Å; S372-A376 VanDerWaalsContact O-N 3.11Å; A376-L378 VanDerWaalsContact C-N 3.33Å; A376-L378 PolarHBondContact O-N 3.41Å; A376-M379 PolarHBondContact O-N 3.38Å; A376-D380 PolarHBondContact O-N 2.85Å
377L52.2Low44.7Very low95 Ų95114.1 Ų114.150%0.49765%0.646SS.*Hα-helixtrans-65.4-33175.8-91.4160.3000113.2Y373 L381Y373-L377 HydrophobicContact CD1-CD1 3.97Å; Y373-L377 HydrophobicContact CE1-CD1 4.19Å; Y373-L377 PolarHBondContact O-N 2.85Å; L377-L381 PolarHBondContact O-N 3.15Å
378L46.4Very low44Very low117 Ų117112.9 Ų112.961%0.61365%0.645SS**Hα-helixtrans-71-33.7175.3-87.9160.5000112.1S374 E375 A376S374-L378 PolarHBondContact O-N 3.36Å; E375-L378 PolarHBondContact O-N 3.5Å; A376-L378 VanDerWaalsContact C-N 3.33Å; A376-L378 PolarHBondContact O-N 3.41Å
379M48.8Very low44.2Very low117 Ų117110.8 Ų110.858%0.57664%0.644SS**Hα-helixtrans-70.8-31.1175.8-65.5-85.2-13300112.9E375 A376E375-M379 VanDerWaalsContact O-CG 3.29Å; E375-M379 WeakPolarHBondContact O-CG 3.47Å; E375-M379 PolarHBondContact O-N 2.87Å; A376-M379 PolarHBondContact O-N 3.38Å
380D48.8Very low43.7Very low117 Ų117108.9 Ų108.963%0.62664%0.642SS**Hα-helixtrans-72.9-29.2177.9-86.3-15.8000112.8A376A376-D380 PolarHBondContact O-N 2.85Å
381L50.4Low43.1Very low115 Ų115107 Ų10760%0.60264%0.641SS**Hα-helixtrans-68.8-39.8177.4-87.4151.3000112.1L377 S383 S384L377-L381 PolarHBondContact O-N 3.15Å; L381-S383 VanDerWaalsContact C-N 3.32Å; L381-S383 PolarHBondContact O-N 3.11Å; L381-S384 PolarHBondContact O-N 3.25Å; L381-S384 PolarHBondContact O-OG 2.03Å
382D45.6Very low42.7Very low149 Ų149109.5 Ų109.580%0.79766%0.66SS**Hα-helixtrans-75.3-17-178.7-79.1-15.1000113.9
383S42.9Very low41.9Very low106 Ų106113.2 Ų113.274%0.74168%0.68SS**THydrogen-bonded Turntrans-86.3-12.1176.8-70.90000114.3L381L381-S383 VanDerWaalsContact C-N 3.32Å; L381-S383 PolarHBondContact O-N 3.11Å
384S40.1Very low41.7Very low97 Ų97109.1 Ų109.168%0.67868%0.678SS**SBendtrans-93.40.5-175.467.50000114.8L381L381-S384 PolarHBondContact O-N 3.25Å; L381-S384 PolarHBondContact O-OG 2.03Å
385G41.7Very low40.6Very low71 Ų71113 Ų11373%0.73269%0.691SS**SBendtrans-101.345.5-17500000115.4
386S38.1Very low39.5Very low103 Ų103114 Ų11472%0.7271%0.709SS**  trans-164.792.3172.5175.50000112.5
387T32.2Very low38.4Very low123 Ų123115.5 Ų115.576%0.75573%0.728SS**  trans176.2100.7141.543.80000110.8
388N30.7Very low37.4Very low153 Ų153117.1 Ų117.182%0.81875%0.745SS**  157.5149.3113.1-82.6-20.9000114.2
389P42.1Very low36.9Very low109 Ų109117.8 Ų117.871%0.70876%0.756SS**  trans-101.1159.1-164.838.4-30.5000113.7
390T28.6Very low35.9Very low135 Ų135115.5 Ų115.583%0.82876%0.763SS**  161.2119.8124.4-60.30000112.9
391A29.4Very low35Very low92 Ų92116.3 Ų116.376%0.7677%0.772SS**  trans31.5120.7150.600000123.6
392S30.4Very low34.1Very low116 Ų116119.9 Ų119.981%0.81179%0.788SS**  -168.8124.2118.843.60000113.2
393T30.5Very low33.3Very low140 Ų140118.8 Ų118.886%0.85979%0.786SS**  trans22.1154.2155.6450000125.3
394P38.9Very low32.7Very low115 Ų115121.3 Ų121.375%0.74779%0.79SS**  trans-107.3151.7-156.439.5-28.7000115.4
395I29.8Very low32.2Very low162 Ų162122.2 Ų122.283%0.83179%0.794SS**  trans-141.5112.4162.6-71.5-172.9000110.5
396S29.6Very low31.6Very low119 Ų119124.2 Ų124.283%0.83279%0.792SS**  trans52.8118.1137.3-39.80000123.4
397G28.3Very low31Very low74 Ų74125.2 Ų125.276%0.76379%0.793SS**  trans146.5141.3147.300000116.2
398P33Very low30.8Very low129 Ų129127.7 Ų127.784%0.83879%0.794SS**  trans-112.4-167-148.648.5-37.8000114
399P34.8Very low30.6Very low131 Ų131126 Ų12685%0.85179%0.785SS**  -111.6151.1-109.430-9.2000114
400G28.8Very low30Very low70 Ų70126.9 Ų126.972%0.72279%0.794SS**  trans-179.2117.1169.700000115.5
401V29.9Very low30.1Very low134 Ų134122.9 Ų122.981%0.81277%0.774SS**  trans82.4104.4160.4-160.20000116.5T403V401-T403 HydrophobicContact CG1-CG2 4.47Å; V401-T403 PolarHBondContact O-N 2.75Å
402M30.4Very low30.1Very low190 Ų190127 Ų12794%0.93677%0.771SS**  trans-62.3121.6164.2-66.4-178.88000109.9
403T29.1Very low30.4Very low125 Ų125129.2 Ų129.277%0.76777%0.773SS**  trans-126.3122.9159.150.90000108.5V401V401-T403 HydrophobicContact CG1-CG2 4.47Å; V401-T403 PolarHBondContact O-N 2.75Å
404L30.7Very low30.7Very low159 Ų159130.8 Ų130.883%0.83278%0.776SS**  trans-65.7141.6174.9-77.1148.8000109.7V406L404-V406 PolarHBondContact O-N 3.22Å
405P29.1Very low30.6Very low117 Ų117132.5 Ų132.576%0.7677%0.773SS**  trans-72114.2171.528-30.6000109.9V407P405-V407 PolarHBondContact O-N 2.9Å
406V28.4Very low30.7Very low113 Ų113129.9 Ų129.969%0.68577%0.77SS**  trans-73.9107.8166.4175.70000107.5L404 F408L404-V406 PolarHBondContact O-N 3.22Å; V406-F408 HydrophobicContact CG1-CD2 3.85Å; V406-F408 HydrophobicContact CG1-CE2 3.85Å; V406-F408 PolarHBondContact O-N 3.42Å
407V26.6Very low31.1Very low123 Ų123127.4 Ų127.475%0.74575%0.751SS**  trans-70.3104.3167177.30000107.5P405 N409P405-V407 PolarHBondContact O-N 2.9Å; V407-N409 PolarHBondContact O-N 3.46Å; V407-N409 VanDerWaalsContact O-N 3.09Å
408F27Very low31.6Very low175 Ų175129.9 Ų129.977%0.76875%0.754SS**  trans-7497.6167.6-95.9-87.4000108.7V406V406-F408 HydrophobicContact CG1-CD2 3.85Å; V406-F408 HydrophobicContact CG1-CE2 3.85Å; V406-F408 PolarHBondContact O-N 3.42Å
409N28Very low31.8Very low118 Ų118133.1 Ų133.163%0.63175%0.75SS**  trans-76.4122.3171.9-139.4-3.5000107.9V407 A411V407-N409 PolarHBondContact O-N 3.46Å; V407-N409 VanDerWaalsContact O-N 3.09Å; N409-A411 PolarHBondContact O-N 2.74Å
410S29.4Very low32.2Very low128 Ų128131 Ų13190%0.89574%0.737SS**THydrogen-bonded Turntrans-69.641.6-177.3-51.70000114.5
411A30.3Very low32.6Very low50 Ų50139.1 Ų139.141%0.41375%0.746SS.*THydrogen-bonded Turntrans-101.9-0.8-178.900000113.9N409 L413N409-A411 PolarHBondContact O-N 2.74Å; A411-L413 PolarHBondContact O-N 3.45Å
412Y29.3Very low32.7Very low179 Ų179143.9 Ų143.970%0.70275%0.749SS**THydrogen-bonded Turntrans-83.6-2.3-168.2-82.2-77.1000117
413L36.1Very low32.7Very low162 Ų162139.7 Ų139.785%0.84873%0.734SS**THydrogen-bonded Turntrans-105.55.9179.1-69.8178.3000115.4A411A411-L413 PolarHBondContact O-N 3.45Å
414L36.4Very low32.7Very low174 Ų174141 Ų14191%0.91174%0.742SS**SBendtrans-113.42.5173.5-81.7165.5000114
415Q36.7Very low32.5Very low150 Ų150138 Ų13870%0.70174%0.735SS**SBendtrans-106.46.8-162.5-149.2153.5-7.300115.7
416S33.8Very low32.3Very low107 Ų107138.6 Ų138.675%0.74874%0.742SS**  trans-115.721.1-173.244.50000115.6P418S416-P418 WeakPolarHBondContact O-CD 3.34Å
417C36.4Very low32.3Very low67 Ų67138.4 Ų138.445%0.45375%0.746SS.*  trans-108104.5164.8-170.80000111.3R419 C420C417-R419 PolarHBondContact O-N 2.95Å; C417-C420 HydrophobicContact CB-CB 4.25Å; C417-C420 PolarHBondContact O-N 2.98Å
418P38.5Very low32.3Very low127 Ų127138.3 Ų138.383%0.82575%0.75SS**THydrogen-bonded Turntrans-64.9-7-179.622.4-30.2000114.3S416S416-P418 WeakPolarHBondContact O-CD 3.34Å
419R38.1Very low32.4Very low196 Ų196137.7 Ų137.774%0.7475%0.754SS**THydrogen-bonded Turntrans-97.8-20.8178.8-127.3175-175.2165-1.1114.5C417 R421C417-R419 PolarHBondContact O-N 2.95Å; R419-R421 PolarHBondContact O-N 3.15Å
420C42.5Very low32.4Very low86 Ų86137.8 Ų137.858%0.58176%0.761SS**G310 helixtrans-74.7-13.6176.8-64.70000113.1C417 R422C417-C420 HydrophobicContact CB-CB 4.25Å; C417-C420 PolarHBondContact O-N 2.98Å; C420-R422 PolarHBondContact O-N 2.89Å; C420-R422 VanDerWaalsContact O-N 3.12Å
421R37.3Very low32.2Very low242 Ų242136.8 Ų136.891%0.91375%0.754SS**G310 helixtrans-69.8-4.7179.5-155.8176.6-178.7-179.31.5114R419R419-R421 PolarHBondContact O-N 3.15Å
422R33.8Very low32.1Very low233 Ų233146.3 Ų146.388%0.87978%0.78SS**G310 helixtrans-114.31.1-174-132.3-177.7-71.2176.8-2.3115.6C420C420-R422 PolarHBondContact O-N 2.89Å; C420-R422 VanDerWaalsContact O-N 3.12Å
423T28.4Very low32Very low102 Ų102145.8 Ų145.863%0.62679%0.788SS**  trans-117.988.6174.852.40000109.5S425T423-S425 PolarHBondContact O-N 3.16Å; T423-S425 VanDerWaalsContact O-N 3.13Å
424T30.1Very low31.6Very low152 Ų152149.7 Ų149.793%0.93379%0.791SS**  trans-72.394.6161.823.40000108.7
425S25.9Very low31.1Very low96 Ų96145.6 Ų145.667%0.67178%0.783SS**  trans-151.3106.4160.432.60000108.6T423 S427T423-S425 PolarHBondContact O-N 3.16Å; T423-S425 VanDerWaalsContact O-N 3.13Å; S425-S427 PolarHBondContact O-N 3.45Å
426S26.4Very low30.8Very low131 Ų131144.1 Ų144.192%0.91679%0.786SS**  trans-66.8116-179.8-30.80000110.1
427S28.4Very low30.4Very low109 Ų109148.2 Ų148.276%0.76280%0.796SS**  trans-130.990.4163.759.60000108.6S425 L429S425-S427 PolarHBondContact O-N 3.45Å; S427-L429 PolarHBondContact O-N 2.73Å
428S26.2Very low29.9Very low120 Ų120148.2 Ų148.284%0.83981%0.807SS**  trans-70.7115.2167.249.40000108.9
429L27.9Very low29.3Very low162 Ų162148.4 Ų148.485%0.84881%0.806SS**PPolyproline II helixtrans-71.3132.5166.1-69.1168000108.9S427 S431S427-L429 PolarHBondContact O-N 2.73Å; L429-S431 PolarHBondContact O-N 3.09Å
430P27.7Very low28.9Very low120 Ų120145.7 Ų145.778%0.77981%0.811SS**PPolyproline II helixtrans-71.7119170.126.1-29.1000110R432P430-R432 PolarHBondContact O-N 3.03Å
431S26Very low28.2Very low108 Ų108146 Ų14676%0.75582%0.821SS**PPolyproline II helixtrans-67119.8171.347.20000110.1L429 L433L429-S431 PolarHBondContact O-N 3.09Å; S431-L433 PolarHBondContact O-N 2.77Å; S431-L433 VanDerWaalsContact O-N 3.17Å
432R29.2Very low27.6Very low250 Ų250142 Ų14294%0.94382%0.816SS**  trans-74.498.4168.4-75-173.6176.2-166.9-0.3108.9P430P430-R432 PolarHBondContact O-N 3.03Å
433L25.8Very low27.4Very low168 Ų168137.6 Ų137.688%0.8881%0.81SS**  trans-83.4117.7158.8-82.2165.1000108.9S431S431-L433 PolarHBondContact O-N 2.77Å; S431-L433 VanDerWaalsContact O-N 3.17Å
434R28.2Very low27.3Very low243 Ų243140.7 Ų140.792%0.91782%0.822SS**  trans-87.6105.9176.6-166.8-177.2-130.8140.9-1.6107.5
435A25.6Very low27.1Very low88 Ų88137.5 Ų137.573%0.72781%0.811SS**  trans-83.6130.3168.900000109.7
436P29.6Very low27.2Very low120 Ų120140 Ų14078%0.77982%0.823SS**  trans-88.4133.9169.632.9-27.2000109.9
437M27.1Very low27.3Very low193 Ų193140.5 Ų140.595%0.95182%0.82SS**  trans-121.3126.9171.7-86.4-85.4142.800109.5
438G24.5Very low27.3Very low66 Ų66139.9 Ų139.968%0.6882%0.821SS**  trans117.5111.4-17700000109.2
439T27Very low27.2Very low132 Ų132137.6 Ų137.681%0.8182%0.816SS**  cis-166.8161.638.134.20000112
440T28.3Very low27.3Very low138 Ų138138.2 Ų138.285%0.84782%0.819SS**  trans80.5117.2151.547.90000121.2
441A28.3Very low27.3Very low94 Ų94144.2 Ų144.278%0.77783%0.826SS**  trans-67155.7168.300000113.8
442L25.9Very low27.4Very low156 Ų156144.1 Ų144.182%0.81783%0.832SS**  trans-158.1113.1140.8-102.7170.7000110.7
443L28.6Very low27.2Very low142 Ų142137 Ų13774%0.74383%0.826SS**  trans33.7124.4141.1-59.2170.3000120.4
444N26.8Very low27.2Very low166 Ų166133.4 Ų133.489%0.88882%0.821SS**  -166143103.2-102.2-17.6000113.9
445A25.3Very low27.8Very low85 Ų85128.1 Ų128.170%0.70282%0.818SS**  trans-80155.3-172.200000113.7
446T28.2Very low27.8Very low150 Ų150127.4 Ų127.492%0.9282%0.819SS**  trans-147.6145137.832.60000111.4
447V27.6Very low27.7Very low141 Ų141127.8 Ų127.886%0.85583%0.825SS**  trans-93.2147.2-164.2164.80000111.2
448A28.3Very low27.8Very low96 Ų96122.4 Ų122.479%0.79382%0.819SS**  trans145119.4144.500000108
449G24.4Very low27.9Very low71 Ų71122.5 Ų122.573%0.73282%0.82SS**  cis110.698.529.800000107.9
450I31Very low28.1Very low175 Ų175124.7 Ų124.790%0.89783%0.825SS**  trans-159.1128149.8-88.7141000107.6
451R26.7Very low28.1Very low246 Ų246121.9 Ų121.993%0.92882%0.823SS**  trans-83.1148.8175.6-76172.8169.6165.6-3.9110.8
452A28.3Very low28Very low107 Ų107121 Ų12188%0.88482%0.824SS**  trans-147141.5141.100000109.4
453A26.3Very low28.1Very low100 Ų100125.5 Ų125.583%0.82683%0.83SS**  trans-90.4150.1-161.300000115
454A25.9Very low28Very low93 Ų93126.2 Ų126.277%0.76983%0.834SS**  trans-2.1177.2151.300000122
455P40Very low28Very low131 Ų131125.3 Ų125.385%0.85183%0.833SS**  cis-137.5169.10.137.6-18.3000116.9
456G26.2Very low28Very low73 Ų73128.1 Ų128.175%0.75384%0.836SS**  trans162.8102.1153.900000118.1
457S27.9Very low27.9Very low128 Ų128125.8 Ų125.890%0.89583%0.826SS**  trans55.9104147.2-177.20000119.3
458G27.8Very low27.8Very low81 Ų81131 Ų13184%0.83583%0.83SS**  101.7132.372.500000109.9
459G27.1Very low27.7Very low68 Ų68132 Ų13270%0.70183%0.831SS**  cis-173.3162.1-6.300000109.4
460I30.6Very low27.8Very low177 Ų177132.4 Ų132.491%0.90884%0.835SS**  trans66.2105.6152.5-46.2172.5000116.3
461G28.1Very low27.5Very low79 Ų79134.3 Ų134.381%0.81484%0.837SS**  89.212571.700000109.4
462G27.1Very low27.5Very low76 Ų76128.6 Ų128.678%0.78484%0.835SS**  cis146.7122.911.100000106.6
463R28.1Very low27.5Very low250 Ų250131.9 Ų131.994%0.94384%0.837SS**  trans-176.7125.4144.4-120.2179.3170.1178.9-3113.1
464L26.2Very low27.5Very low158 Ų158130.4 Ų130.483%0.82783%0.831SS**  trans-73.5145.5166.9-65.9153.4000110.4
465V27.5Very low27.5Very low146 Ų146137.5 Ų137.589%0.88584%0.838SS**  trans-135.7116.3153-179.20000108.8
466L25.5Very low26.9Very low145 Ų145139.6 Ų139.676%0.75984%0.841SS**  trans-81.8148.9170.1-95.6133.6000111.1
467S24.8Very low27Very low100 Ų100139.9 Ų139.970%0.69985%0.845SS**  trans43.8130.2140.1-63.30000121.4
468R26.7Very low26.9Very low252 Ų252137.9 Ų137.995%0.95184%0.844SS**  -162.9115.5125.3-117.5173.4171.3-172.4-3.3114.3
469S24.7Very low26.8Very low117 Ų117137.9 Ų137.982%0.81884%0.844SS**  trans-74.6151.5151.249.90000110.6
470G28.1Very low26.8Very low78 Ų78144.9 Ų144.980%0.80485%0.849SS**  trans-155.8100.517100000112.5
471F24.2Very low26.7Very low215 Ų215143.1 Ų143.194%0.94384%0.837SS**  trans-73.2145.7159.2-95.9-99.7000109.8
472S27.5Very low26.7Very low126 Ų126145.7 Ų145.788%0.88183%0.832SS**  trans-151.1138.1152.557.30000110.9
473L28.1Very low26.6Very low176 Ų176147.7 Ų147.792%0.92183%0.825SS**  trans-130130.6-176-166.9144.4000106.1
474G24.9Very low26.7Very low69 Ų69143.8 Ų143.871%0.71182%0.822SS**  trans157.8111.9167.900000118.4
475R27.3Very low26.7Very low242 Ų242144.2 Ų144.291%0.91382%0.817SS**  trans89.2107.3138.1-102.2-178.6176.4-171.4-0.7122.6
476L27.9Very low26.7Very low175 Ų175146 Ų14692%0.91682%0.816SS**  29.8127.1124.5-77.9153.2000121.2
477G27.5Very low26.6Very low80 Ų80143.3 Ų143.383%0.82581%0.809SS**  trans177.3111.215600000111.1
478G26.4Very low26.7Very low86 Ų86150.3 Ų150.389%0.88782%0.82SS**  trans-87.7176.9-17300000116
479G24.7Very low26.7Very low80 Ų80142.8 Ų142.883%0.82581%0.806SS**  trans108114.8142.200000118.6
480R26.8Very low26.8Very low216 Ų216147 Ų14782%0.81581%0.81SS**  trans93.5111.9141.6-102.6-175.6154.4164.4-1.2122
481Q29.3Very low26.7Very low140 Ų140151.4 Ų151.465%0.65481%0.814SS**  64.9119.1122.3-77177.2-8.800121.2
482N28Very low26.8Very low133 Ų133144.1 Ų144.171%0.71180%0.8SS**  -175.5129.190.3-104.9-15000114.5
483N25Very low26.7Very low118 Ų118146.9 Ų146.963%0.63180%0.803SS**  trans35.9129.9136.8-55.8-15.9000121.8
484L30.5Very low26.5Very low168 Ų168141.8 Ų141.888%0.8879%0.793SS**  -166.6136.6102.9-95150.5000112.2
485F26.5Very low26.6Very low167 Ų167144.4 Ų144.473%0.73280%0.8SS**  trans-50.3146.2-173.3-64.5-100.6000118.2
486H25.9Very low26.6Very low184 Ų184144.9 Ų144.985%0.85280%0.801SS**  -151.4112.2119.6-147.4-17.7000111.4
487S23.1Very low26.5Very low87 Ų87144.5 Ų144.561%0.60880%0.795SS**  trans-88.7141.3171.7-52.80000110.7
488R28.6Very low26.4Very low247 Ų247147.6 Ų147.693%0.93279%0.793SS**  trans-144.9114.3138.6-98.8-173.6173.6-179-2108.8
489S25.2Very low26.5Very low95 Ų95149.6 Ų149.666%0.66478%0.783SS**  trans-97.1147.3172.442.70000109.8
490F26.7Very low26.8Very low206 Ų206152.6 Ų152.690%0.90478%0.776SS**  trans-140.6132.4144.7-89.5-77.4000108.8
491L26.4Very low26.8Very low170 Ų170150.2 Ų150.289%0.8977%0.774SS**  trans-67.1162.8177.2-69.4112.1000111.8
492G25.5Very low26.7Very low62 Ų62148.8 Ų148.864%0.63978%0.775SS**  cis167.3-175.1400000112.3
493I26.5Very low26.8Very low184 Ų184154.3 Ų154.394%0.94479%0.786SS**  trans71.6128.8159.7-50.9175.8000115.4
494G24.8Very low26.8Very low69 Ų69151.7 Ų151.771%0.71179%0.787SS**  cis-173.1172.91200000114
495S25.4Very low26.7Very low123 Ų123150.1 Ų150.186%0.8678%0.784SS**  trans-43.4146.9-176.2-45.90000118.2
496R27Very low26.9Very low252 Ų252150.2 Ų150.295%0.95179%0.791SS**  -164.9151.9109.5-132.3170.5169.6170.8-4.6113
497Q25.7Very low27.3Very low168 Ų168150.7 Ų150.779%0.78579%0.794SS**  trans-111.5150.8-159.9-177.7174.324.400110.1
498N26Very low27.6Very low144 Ų144149.9 Ų149.977%0.7780%0.799SS**  trans162.1110.4137.8-79.6-6.6000108.3
499N28.5Very low27.6Very low129 Ų129146.7 Ų146.769%0.6980%0.795SS**  55.9130.890.1-10627.9000112.2
500E30.8Very low28.6Very low142 Ų142145.7 Ų145.766%0.66480%0.8SS**  cis-169.2147.934.1-130145.114800108.9
501E28.3Very low29Very low167 Ų167143.6 Ų143.678%0.7880%0.798SS**  trans50.2148.7136.8-71.2-167.6127.500122.1
502T26.7Very low29.4Very low109 Ų109146.1 Ų146.167%0.66980%0.796SS**  cis-176.8128.2-5-830000105.2
503R28.8Very low30.1Very low249 Ų249148.7 Ų148.794%0.9480%0.801SS**  trans-166.3120.6141.5-120.7176.6150.393.40.5110.7
504G25.8Very low30.8Very low64 Ų64145.3 Ų145.366%0.6679%0.791SS**  trans-84.1165.8-166.400000115.9
505V28.2Very low31.7Very low135 Ų135145.5 Ų145.582%0.81878%0.781SS**  trans55.3109.9137.9-170.30000116.4
506L30.4Very low32.3Very low168 Ų168149 Ų14988%0.8878%0.777SS**  -155.1109.8111.2-93.3169.2000108.1
507E35.4Very low33.1Very low195 Ų195144.3 Ų144.391%0.91177%0.766SS**  trans-60.8131.3154.8-76.2177.5140.900107.8
508G28.3Very low33.9Very low70 Ų70141.3 Ų141.372%0.72276%0.755SS**  trans-160.8102.5175.100000109.6
509E29.5Very low34.8Very low179 Ų179138 Ų13884%0.83675%0.749SS**  trans27.2129.5142-140.582.1153.700118.8
510G46.7Very low35.4Very low75 Ų75139.6 Ų139.677%0.77375%0.749SS**  trans-53139.5-173.800000115.7
511D34.2Very low35.7Very low162 Ų162140.5 Ų140.587%0.86675%0.751SS**  trans-115.4136.5179.5-97.2-30.3000114.2
512R35.8Very low36Very low223 Ų223140.6 Ų140.684%0.84275%0.749SS**PPolyproline II helixtrans-67.1167.5-173-68.8168.3177.2-174.5-1.3112.3
513P38.5Very low36.3Very low116 Ų116141.5 Ų141.575%0.75376%0.758SS**SBendtrans-54.5151.3168.823.9-34.6000111.5
514P42.9Very low36.6Very low112 Ų112135.5 Ų135.573%0.72775%0.748SS**PPolyproline II helixtrans-58.5146-174.623.5-33.1000111.6
515S42.1Very low36.7Very low73 Ų73139.4 Ų139.451%0.5175%0.753SS.*PPolyproline II helixtrans-65.6145.3178.679.90000110.9Q517 D518S515-Q517 PolarHBondContact O-N 2.92Å; S515-D518 PolarHBondContact O-N 2.78Å; S515-D518 VanDerWaalsContact O-N 3.12Å
516Y38.6Very low36.9Very low196 Ų196139.8 Ų139.877%0.76975%0.749SS**G310 helixtrans-54.1-19.4-174.6-170.5-97000114.5D518 F520Y516-D518 VanDerWaalsContact C-N 3.32Å; Y516-D518 PolarHBondContact O-N 2.92Å; Y516-F520 HydrophobicContact CE1-CE2 4.21Å
517Q44Very low36.9Very low154 Ų154138.2 Ų138.272%0.7274%0.74SS**G310 helixtrans-72.3-22.5-178.3-64.8-179.73.100113.2S515S515-Q517 PolarHBondContact O-N 2.92Å
518D43.3Very low36.5Very low105 Ų105137.2 Ų137.256%0.56174%0.735SS**G310 helixtrans-85.2-12.9-178.5-66.1-29.8000113.6S515 Y516 F520S515-D518 PolarHBondContact O-N 2.78Å; S515-D518 VanDerWaalsContact O-N 3.12Å; Y516-D518 VanDerWaalsContact C-N 3.32Å; Y516-D518 PolarHBondContact O-N 2.92Å; D518-F520 VanDerWaalsContact C-N 3.26Å; D518-F520 PolarHBondContact O-N 2.81Å
519A44.7Very low36.4Very low76 Ų76137.2 Ų137.263%0.62874%0.735SS**G310 helixtrans-76.4-8.4-179.600000114
520F39.6Very low36.6Very low161 Ų161137.4 Ų137.471%0.70674%0.736SS**G310 helixtrans-79.8-15.5-179.5-93.6-83.4000114.5Y516 D518Y516-F520 HydrophobicContact CE1-CE2 4.21Å; D518-F520 VanDerWaalsContact C-N 3.26Å; D518-F520 PolarHBondContact O-N 2.81Å
521F37Very low35.8Very low161 Ų161143 Ų14371%0.70674%0.742SS**SBendtrans-95.8-5.1-171.8-72.7-78.2000115.2
522F34.8Very low35.6Very low169 Ų169140.7 Ų140.774%0.74174%0.739SS**  trans-14295.6179.8-63.9-76.3000112.5V524F522-V524 PolarHBondContact O-N 3.09Å
523P33.3Very low35.4Very low129 Ų129135.7 Ų135.784%0.83874%0.737SS**  trans-71.3101.5169.328.4-30.5000108.9
524V35.2Very low35Very low122 Ų122139.5 Ų139.574%0.73974%0.744SS**  trans-88.6108.1171.8179.90000108.6F522 I526F522-V524 PolarHBondContact O-N 3.09Å; V524-I526 PolarHBondContact O-N 2.98Å
525L27.5Very low34.3Very low147 Ų147139.4 Ų139.477%0.7775%0.753SS**  trans-67.5113169.9-154.590.8000108.7I527L525-I527 HydrophobicContact CD2-CD1 4.16Å; L525-I527 HydrophobicContact CD2-CG1 3.9Å; L525-I527 PolarHBondContact O-N 3.42Å
526I34.2Very low33.5Very low142 Ų142139.6 Ų139.673%0.72877%0.767SS**  trans-84.7104.5173-59.2175.4000107.8V524V524-I526 PolarHBondContact O-N 2.98Å
527I28.7Very low33.4Very low135 Ų135138.1 Ų138.169%0.69277%0.772SS**  trans-89.1118.2171.2-58.1173.8000107.3L525 G529L525-I527 HydrophobicContact CD2-CD1 4.16Å; L525-I527 HydrophobicContact CD2-CG1 3.9Å; L525-I527 PolarHBondContact O-N 3.42Å; I527-G529 PolarHBondContact O-N 3.03Å
528H27.8Very low32.8Very low174 Ų174138.6 Ų138.681%0.80678%0.779SS**  trans-72.7108.4166.1-79.6-89.7000108.6
529G26.5Very low32.2Very low71 Ų71146.4 Ų146.473%0.73282%0.816SS**  trans-81.6129.6169.500000110.4I527I527-G529 PolarHBondContact O-N 3.03Å
530E34.2Very low31.6Very low183 Ų183149.9 Ų149.986%0.85583%0.825SS**  trans-82.1108.9168.8-54.7-177.8-162.500107.8
531E29.1Very low31.2Very low192 Ų192149.3 Ų149.390%0.89783%0.831SS**  trans-11892.4167.1-101.7178.1172.300110
532S29.8Very low30.9Very low114 Ų114148.7 Ų148.780%0.79784%0.838SS**  36.2108129.6-54.90000119H534S532-H534 PolarHBondContact O-N 3.18Å
533C31Very low30.7Very low118 Ų118147.5 Ų147.580%0.79784%0.844SS**  trans-56.7125.6148.9-55.50000110.2
534H30.9Very low30.5Very low195 Ų195148.6 Ų148.690%0.90384%0.844SS**  trans165.5119.5137.8-85.6-57.7000110.1S532S532-H534 PolarHBondContact O-N 3.18Å
535A28.1Very low30.2Very low111 Ų111150.4 Ų150.492%0.91785%0.851SS**  trans147.1121.3137.100000110.9
536G26.1Very low30.4Very low77 Ų77150.6 Ų150.679%0.79486%0.857SS**  trans150.746.4168.500000115
537D35Very low30.1Very low165 Ų165151.3 Ų151.388%0.88287%0.867SS**  trans-76.3110151.1-81-31.2000106.4
538D31.3Very low30.2Very low163 Ų163152.7 Ų152.787%0.87288%0.881SS**  trans-161.287.9154.7-96.9-24.6000107.7
539M32.4Very low30.4Very low269 Ų269150.7 Ų150.7100%1.32589%0.888SS**  trans-172.40140.6-88.5-129-157.300110

Retrieved 539 of 539 residues in 242.1 ms (Link to these results)

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