A0A087XM43_POEFO Loading...

Ring finger protein 150a

AlphaFold DB , UniProt , Accession A0A087XM43, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 429 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
1M40.5Very low54.1Low225 Ų225113 Ų113100%1.10862%0.624SS**  036.50-75.5172.2173.600113.2
2A45.2Very low55.3Low79 Ų79113.1 Ų113.165%0.65362%0.622SS**  trans-85.8-10.6-177.900000118.9S4A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 3.04Å
3P52.3Low56.6Low101 Ų101108.5 Ų108.566%0.65661%0.608SS**Hα-helixtrans-78.7-10.1-173.130-32.3000114.7
4S54.4Low57.9Low76 Ų76108.8 Ų108.853%0.53161%0.607SS.*Hα-helixtrans-79.2-38.8-177.548.30000113.4A2 R7 A8A2-S4 VanDerWaalsContact C-N 3.33Å; A2-S4 PolarHBondContact O-N 3.04Å; S4-R7 PolarHBondContact O-N 3.47Å; S4-A8 PolarHBondContact O-N 2.89Å
5L49.6Very low59Low135 Ų135112.9 Ų112.971%0.70761%0.609SS**Hα-helixtrans-69-39.5-178.1-85.9161000113R7 A8 C9L5-R7 VanDerWaalsContact C-N 3.3Å; L5-R7 PolarHBondContact O-N 3.2Å; L5-A8 PolarHBondContact O-N 3.09Å; L5-C9 PolarHBondContact O-N 3.12Å
6L54.4Low60Low121 Ų121111 Ų11163%0.63460%0.603SS**Hα-helixtrans-67.5-32.3176-114133.8000112.1R10L6-R10 VanDerWaalsContact O-CD 3.25Å; L6-R10 WeakPolarHBondContact O-CD 2.85Å; L6-R10 WeakPolarHBondContact O-CG 3.12Å; L6-R10 PolarHBondContact O-N 2.94Å
7R55.3Low61.1Low195 Ų195113.5 Ų113.574%0.73660%0.602SS**Hα-helixtrans-72.6-38.4174.7-171.2175.5-78.7156.9-5.2111.4S4 L5 R10 S11S4-R7 PolarHBondContact O-N 3.47Å; L5-R7 VanDerWaalsContact C-N 3.3Å; L5-R7 PolarHBondContact O-N 3.2Å; R7-R10 PolarHBondContact O-N 3.37Å; R7-S11 PolarHBondContact O-N 3.15Å; R7-S11 VanDerWaalsContact O-N 3.17Å
8A55.6Low61.9Low47 Ų47112.9 Ų112.939%0.38860%0.598SS.*Hα-helixtrans-65.8-46.8175.100000112.4S4 L5 R10 S11 L12S4-A8 PolarHBondContact O-N 2.89Å; L5-A8 PolarHBondContact O-N 3.09Å; A8-R10 VanDerWaalsContact C-N 3.26Å; A8-R10 PolarHBondContact O-N 2.68Å; A8-S11 WeakPolarHBondContact O-CB 3.03Å; A8-S11 PolarHBondContact O-N 3.44Å; A8-S11 VanDerWaalsContact O-N 3.09Å; A8-L12 PolarHBondContact O-N 3.04Å
9C56.7Low62.7Low91 Ų91112.9 Ų112.962%0.61560%0.598SS**Hα-helixtrans-59.7-34.9175.8-102.60000113.2L5 L12 A13L5-C9 PolarHBondContact O-N 3.12Å; C9-L12 PolarHBondContact O-N 2.83Å; C9-A13 PolarHBondContact O-N 2.83Å; C9-A13 VanDerWaalsContact O-N 3.09Å
10R64.9Low63.5Low116 Ų116111.1 Ų111.144%0.43859%0.594SS.*Hα-helixtrans-68-37.1175.3-76.2167.6143.8-145.4-27.9112.8L6 R7 A8 L14L6-R10 VanDerWaalsContact O-CD 3.25Å; L6-R10 WeakPolarHBondContact O-CD 2.85Å; L6-R10 WeakPolarHBondContact O-CG 3.12Å; L6-R10 PolarHBondContact O-N 2.94Å; R7-R10 PolarHBondContact O-N 3.37Å; A8-R10 VanDerWaalsContact C-N 3.26Å; A8-R10 PolarHBondContact O-N 2.68Å; R10-L14 PolarHBondContact O-N 3.23Å
11S66Low64.1Low57 Ų57110 Ų11040%0.39958%0.584SS.*Hα-helixtrans-65.4-44.3174.5-170.30000111R7 A8 A13 L14 W15R7-S11 PolarHBondContact O-N 3.15Å; R7-S11 VanDerWaalsContact O-N 3.17Å; A8-S11 WeakPolarHBondContact O-CB 3.03Å; A8-S11 PolarHBondContact O-N 3.44Å; A8-S11 VanDerWaalsContact O-N 3.09Å; S11-A13 PolarHBondContact O-N 2.93Å; S11-L14 PolarHBondContact O-N 3.03Å; S11-W15 WeakPolarHBondContact O-CB 3.49Å; S11-W15 PolarHBondContact O-N 2.84Å
12L68.1Low65.7Low114 Ų114102.4 Ų102.460%0.59755%0.553SS**Hα-helixtrans-62.5-43.1178.7-87.2138.4000112.4A8 C9 L14 W15 T16A8-L12 PolarHBondContact O-N 3.04Å; C9-L12 PolarHBondContact O-N 2.83Å; L12-L14 PolarHBondContact O-N 3.33Å; L12-W15 PolarHBondContact O-N 3.03Å; L12-T16 WeakPolarHBondContact O-CG2 3.16Å; L12-T16 PolarHBondContact O-N 2.85Å; L12-T16 PolarHBondContact O-OG1 3.16Å
13A72.4Confident67.1Low54 Ų54104.9 Ų104.945%0.44655%0.549SS..Hα-helixtrans-66.8-34.5178.100000113.5C9 S11 T16 W17C9-A13 PolarHBondContact O-N 2.83Å; C9-A13 VanDerWaalsContact O-N 3.09Å; S11-A13 PolarHBondContact O-N 2.93Å; A13-T16 WeakPolarHBondContact CA-OG1 2.97Å; A13-T16 PolarHBondContact O-OG1 3.25Å; A13-T16 VanDerWaalsContact O-OG1 3.05Å; A13-W17 WeakPolarHBondContact O-CB 3.24Å; A13-W17 PolarHBondContact O-N 3.37Å
14L74.6Confident68.1Low112 Ų112102.4 Ų102.459%0.58653%0.532SS*.Hα-helixtrans-70.3-40.1174.4-81.5162.6000111.5R10 S11 L12 W17 L18R10-L14 PolarHBondContact O-N 3.23Å; S11-L14 PolarHBondContact O-N 3.03Å; L12-L14 PolarHBondContact O-N 3.33Å; L14-W17 PolarHBondContact O-N 3.46Å; L14-L18 WeakPolarHBondContact O-CB 3.42Å; L14-L18 VanDerWaalsContact O-CG 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 3.36Å
15W74.9Confident68.6Low170 Ų170102.7 Ų102.764%0.64453%0.525SS*.Hα-helixtrans-69.1-39.3179.5-78.944000111.9S11 L12 W17 L18 L19S11-W15 WeakPolarHBondContact O-CB 3.49Å; S11-W15 PolarHBondContact O-N 2.84Å; L12-W15 PolarHBondContact O-N 3.03Å; W15-W17 VanDerWaalsContact C-N 3.33Å; W15-L18 PolarHBondContact O-N 3.46Å; W15-L19 VanDerWaalsContact O-CB 3.29Å; W15-L19 WeakPolarHBondContact O-CB 3.46Å; W15-L19 WeakPolarHBondContact O-CG 3.45Å; W15-L19 PolarHBondContact O-N 3.15Å
16T74.9Confident69.5Low83 Ų83101.1 Ų101.151%0.50952%0.517SS..Hα-helixtrans-66.6-36.1174.553.80000112.1L12 A13 S20L12-T16 WeakPolarHBondContact O-CG2 3.16Å; L12-T16 PolarHBondContact O-N 2.85Å; L12-T16 PolarHBondContact O-OG1 3.16Å; A13-T16 WeakPolarHBondContact CA-OG1 2.97Å; A13-T16 PolarHBondContact O-OG1 3.25Å; A13-T16 VanDerWaalsContact O-OG1 3.05Å; T16-S20 VanDerWaalsContact O-CB 3.27Å; T16-S20 WeakPolarHBondContact O-CB 3.01Å; T16-S20 PolarHBondContact O-N 2.84Å
17W78.1Confident70Confident153 Ų15399.5 Ų99.558%0.5851%0.508SS*.Hα-helixtrans-63.7-46.8171.9-107.875.3000112.6A13 L14 W15 L19 S20 F21A13-W17 WeakPolarHBondContact O-CB 3.24Å; A13-W17 PolarHBondContact O-N 3.37Å; L14-W17 PolarHBondContact O-N 3.46Å; W15-W17 VanDerWaalsContact C-N 3.33Å; W17-L19 VanDerWaalsContact C-N 3.35Å; W17-S20 PolarHBondContact O-N 2.94Å; W17-F21 VanDerWaalsContact O-CB 3.24Å; W17-F21 WeakPolarHBondContact O-CB 3.4Å; W17-F21 PolarHBondContact O-N 3.39Å
18L76.8Confident70.2Confident103 Ų10391.8 Ų91.854%0.53948%0.484SS..Hα-helixtrans-66-37.6178.6-73.3168.8000112.2L14 W15 F21 C22L14-L18 WeakPolarHBondContact O-CB 3.42Å; L14-L18 VanDerWaalsContact O-CG 3.29Å; L14-L18 WeakPolarHBondContact O-CG 3.43Å; L14-L18 PolarHBondContact O-N 3.36Å; W15-L18 PolarHBondContact O-N 3.46Å; L18-F21 PolarHBondContact O-N 2.84Å; L18-C22 WeakPolarHBondContact O-CB 3.37Å; L18-C22 PolarHBondContact O-N 3.05Å; L18-C22 PolarHBondContact O-SG 3.35Å
19L77.5Confident70.3Confident114 Ų11494.8 Ų94.860%0.59749%0.493SS*.Hα-helixtrans-69.1-42.5175.1-74.4168.8000111.5W15 W17 F21 C22 F23W15-L19 VanDerWaalsContact O-CB 3.29Å; W15-L19 WeakPolarHBondContact O-CB 3.46Å; W15-L19 WeakPolarHBondContact O-CG 3.45Å; W15-L19 PolarHBondContact O-N 3.15Å; W17-L19 VanDerWaalsContact C-N 3.35Å; L19-F21 VanDerWaalsContact C-N 3.3Å; L19-F21 PolarHBondContact O-N 2.69Å; L19-C22 PolarHBondContact O-N 3.34Å; L19-F23 VanDerWaalsContact O-CB 3.25Å; L19-F23 WeakPolarHBondContact O-CB 3.43Å; L19-F23 PolarHBondContact O-N 3.34Å
20S77.6Confident70.4Confident75 Ų7596.6 Ų96.652%0.52450%0.496SS..Hα-helixtrans-62.5-40.2174.1-175.20000111.5T16 W17 F23 V24T16-S20 VanDerWaalsContact O-CB 3.27Å; T16-S20 WeakPolarHBondContact O-CB 3.01Å; T16-S20 PolarHBondContact O-N 2.84Å; W17-S20 PolarHBondContact O-N 2.94Å; S20-F23 PolarHBondContact O-N 2.91Å; S20-V24 VanDerWaalsContact O-CG2 3.27Å; S20-V24 WeakPolarHBondContact O-CG2 3.46Å; S20-V24 PolarHBondContact O-N 3.08Å
21F75.9Confident69.7Low88 Ų8898.9 Ų98.939%0.38651%0.51SS..Hα-helixtrans-67.4-44.7176.9-179.2-94.8000111.9W17 L18 L19 F23 V24 Q25 F202W17-F21 VanDerWaalsContact O-CB 3.24Å; W17-F21 WeakPolarHBondContact O-CB 3.4Å; W17-F21 PolarHBondContact O-N 3.39Å; L18-F21 PolarHBondContact O-N 2.84Å; L19-F21 VanDerWaalsContact C-N 3.3Å; L19-F21 PolarHBondContact O-N 2.69Å; F21-F23 VanDerWaalsContact C-N 3.3Å; F21-F23 PolarHBondContact O-N 3.18Å; F21-V24 PolarHBondContact O-N 2.74Å; F21-Q25 WeakPolarHBondContact O-CB 3.35Å; F21-Q25 PolarHBondContact O-N 2.91Å; F21-F202 HydrophobicContact CD2-CE2 4.24Å; F21-F202 HydrophobicContact CE1-CE2 4.03Å; F21-F202 HydrophobicContact CE1-CZ 4.37Å; F21-F202 HydrophobicContact CE2-CD2 4.05Å; F21-F202 AromaticContact CE2-CE2 3.18Å; F21-F202 HydrophobicContact CE2-CE2 3.18Å; F21-F202 AromaticContact CE2-CZ 3.64Å; F21-F202 HydrophobicContact CE2-CZ 3.64Å; F21-F202 HydrophobicContact CZ-CD2 4.3Å; F21-F202 AromaticContact CZ-CE2 3.1Å; F21-F202 HydrophobicContact CZ-CE2 3.1Å; F21-F202 AromaticContact CZ-CZ 3.3Å; F21-F202 HydrophobicContact CZ-CZ 3.3Å
22C74.8Confident69.1Low66 Ų6698.4 Ų98.445%0.44651%0.505SS..Hα-helixtrans-62-38.7173.5-75.70000111.9L18 L19 Q25 L26L18-C22 WeakPolarHBondContact O-CB 3.37Å; L18-C22 PolarHBondContact O-N 3.05Å; L18-C22 PolarHBondContact O-SG 3.35Å; L19-C22 PolarHBondContact O-N 3.34Å; C22-Q25 WeakPolarHBondContact O-CB 3.24Å; C22-Q25 PolarHBondContact O-N 3.42Å; C22-L26 WeakPolarHBondContact O-CB 3.35Å; C22-L26 WeakPolarHBondContact O-CD1 3.44Å; C22-L26 WeakPolarHBondContact O-CG 3.25Å; C22-L26 PolarHBondContact O-N 2.78Å
23F73.9Confident68.4Low131 Ų13196.6 Ų96.658%0.57551%0.506SS*.Hα-helixtrans-66.5-42177.6-169.7-105.6000111.6L19 S20 F21 Q25 L26 L27L19-F23 VanDerWaalsContact O-CB 3.25Å; L19-F23 WeakPolarHBondContact O-CB 3.43Å; L19-F23 PolarHBondContact O-N 3.34Å; S20-F23 PolarHBondContact O-N 2.91Å; F21-F23 VanDerWaalsContact C-N 3.3Å; F21-F23 PolarHBondContact O-N 3.18Å; F23-Q25 VanDerWaalsContact C-N 3.35Å; F23-L26 PolarHBondContact O-N 3.44Å; F23-L27 HydrophobicContact CD1-CD1 3.64Å; F23-L27 HydrophobicContact CD1-CG 4.27Å; F23-L27 HydrophobicContact CE1-CD1 3.31Å; F23-L27 HydrophobicContact CE1-CG 4.06Å; F23-L27 HydrophobicContact CG-CD1 4.49Å; F23-L27 HydrophobicContact CZ-CD1 3.91Å; F23-L27 HydrophobicContact CZ-CD2 4.44Å; F23-L27 HydrophobicContact CZ-CG 4.26Å; F23-L27 WeakPolarHBondContact O-CB 3.22Å; F23-L27 VanDerWaalsContact O-CG 3.29Å; F23-L27 WeakPolarHBondContact O-CG 3.35Å; F23-L27 PolarHBondContact O-N 3.49Å
24V73.5Confident67.6Low50 Ų5095.8 Ų95.830%0.30350%0.5SS..Hα-helixtrans-64.1-40.3172.3172.30000111S20 F21 L27 C28 L205S20-V24 VanDerWaalsContact O-CG2 3.27Å; S20-V24 WeakPolarHBondContact O-CG2 3.46Å; S20-V24 PolarHBondContact O-N 3.08Å; F21-V24 PolarHBondContact O-N 2.74Å; V24-L27 PolarHBondContact O-N 2.96Å; V24-C28 VanDerWaalsContact O-CB 3.23Å; V24-C28 WeakPolarHBondContact O-CB 3.36Å; V24-C28 PolarHBondContact O-N 3.39Å; V24-C28 PolarHBondContact O-SG 2.86Å; V24-C28 VanDerWaalsContact O-SG 3.38Å; V24-L205 HydrophobicContact CG1-CD1 4.22Å
25Q66.1Low66.8Low81 Ų8198.2 Ų98.238%0.37951%0.508SS..Hα-helixtrans-62-44.7176.1-159.988.1-4.300111.8F21 C22 F23 C28 L29F21-Q25 WeakPolarHBondContact O-CB 3.35Å; F21-Q25 PolarHBondContact O-N 2.91Å; C22-Q25 WeakPolarHBondContact O-CB 3.24Å; C22-Q25 PolarHBondContact O-N 3.42Å; F23-Q25 VanDerWaalsContact C-N 3.35Å; Q25-C28 PolarHBondContact O-N 3Å; Q25-L29 WeakPolarHBondContact O-CG 3.47Å; Q25-L29 PolarHBondContact O-N 3.12Å
26L66.9Low66.2Low102 Ų10295.9 Ų95.953%0.53450%0.502SS..Hα-helixtrans-65.2-47.9177.4-84.6156.3000111.3C22 F23 C28 L29 D30C22-L26 WeakPolarHBondContact O-CB 3.35Å; C22-L26 WeakPolarHBondContact O-CD1 3.44Å; C22-L26 WeakPolarHBondContact O-CG 3.25Å; C22-L26 PolarHBondContact O-N 2.78Å; F23-L26 PolarHBondContact O-N 3.44Å; L26-C28 VanDerWaalsContact C-N 3.28Å; L26-C28 PolarHBondContact O-N 2.91Å; L26-L29 PolarHBondContact O-N 3.04Å; L26-L29 VanDerWaalsContact O-N 3.16Å; L26-D30 PolarHBondContact O-N 3.03Å
27L64.9Low66.2Low87 Ų8795.9 Ų95.946%0.45550%0.496SS..Hα-helixtrans-61.5-36.4175.5-73.6178.1000112.3F23 V24 D30 F31F23-L27 HydrophobicContact CD1-CD1 3.64Å; F23-L27 HydrophobicContact CD1-CG 4.27Å; F23-L27 HydrophobicContact CE1-CD1 3.31Å; F23-L27 HydrophobicContact CE1-CG 4.06Å; F23-L27 HydrophobicContact CG-CD1 4.49Å; F23-L27 HydrophobicContact CZ-CD1 3.91Å; F23-L27 HydrophobicContact CZ-CD2 4.44Å; F23-L27 HydrophobicContact CZ-CG 4.26Å; F23-L27 WeakPolarHBondContact O-CB 3.22Å; F23-L27 VanDerWaalsContact O-CG 3.29Å; F23-L27 WeakPolarHBondContact O-CG 3.35Å; F23-L27 PolarHBondContact O-N 3.49Å; V24-L27 PolarHBondContact O-N 2.96Å; L27-D30 PolarHBondContact O-N 3.4Å; L27-F31 WeakPolarHBondContact O-CB 3.29Å; L27-F31 PolarHBondContact O-N 2.91Å
28C59.5Low66.7Low33 Ų3391.9 Ų91.922%0.22348%0.484CS..Hα-helixtrans-70-33.4175.6-84.10000113.3V24 Q25 L26 F31 T32 V198V24-C28 VanDerWaalsContact O-CB 3.23Å; V24-C28 WeakPolarHBondContact O-CB 3.36Å; V24-C28 PolarHBondContact O-N 3.39Å; V24-C28 PolarHBondContact O-SG 2.86Å; V24-C28 VanDerWaalsContact O-SG 3.38Å; Q25-C28 PolarHBondContact O-N 3Å; L26-C28 VanDerWaalsContact C-N 3.28Å; L26-C28 PolarHBondContact O-N 2.91Å; C28-F31 PolarHBondContact O-N 3.38Å; C28-T32 PolarHBondContact O-N 2.96Å; C28-V198 HydrophobicContact CB-CG1 3.64Å; C28-V198 HydrophobicContact CB-CG2 4.35Å
29L59Low67.5Low110 Ų11088.5 Ų88.558%0.57646%0.464SS*.Hα-helixtrans-68.1-41.7172.5-73.6165.9000110.6Q25 L26 F31 T32Q25-L29 WeakPolarHBondContact O-CG 3.47Å; Q25-L29 PolarHBondContact O-N 3.12Å; L26-L29 PolarHBondContact O-N 3.04Å; L26-L29 VanDerWaalsContact O-N 3.16Å; L29-F31 VanDerWaalsContact C-N 3.32Å; L29-F31 PolarHBondContact O-N 3.31Å; L29-T32 PolarHBondContact O-N 2.98Å; L29-T32 PolarHBondContact O-OG1 2.92Å
30D57.2Low68.3Low129 Ų12985.5 Ų85.569%0.6945%0.445SS*.Hα-helixtrans-66.9-32.4175.1-74.6-31.2000112.3L26 L27 T32L26-D30 PolarHBondContact O-N 3.03Å; L27-D30 PolarHBondContact O-N 3.4Å; D30-T32 PolarHBondContact O-N 3.27Å
31F50.7Low69.3Low164 Ų16482.7 Ų82.772%0.71943%0.425SS*.THydrogen-bonded Turntrans-75-3.3175.3-132-90.6000114.1L27 C28 L29 A33L27-F31 WeakPolarHBondContact O-CB 3.29Å; L27-F31 PolarHBondContact O-N 2.91Å; C28-F31 PolarHBondContact O-N 3.38Å; L29-F31 VanDerWaalsContact C-N 3.32Å; L29-F31 PolarHBondContact O-N 3.31Å; F31-A33 PolarHBondContact O-N 3.29Å
32T54.9Low70.3Confident48 Ų4878.5 Ų78.529%0.29441%0.407SS..  trans-74.860.8158.3660000109C28 L29 D30 A34C28-T32 PolarHBondContact O-N 2.96Å; L29-T32 PolarHBondContact O-N 2.98Å; L29-T32 PolarHBondContact O-OG1 2.92Å; D30-T32 PolarHBondContact O-N 3.27Å; T32-A34 VanDerWaalsContact C-N 3.28Å; T32-A34 PolarHBondContact O-N 2.9Å
33A53.4Low71.4Confident75 Ų7577.9 Ų77.962%0.6240%0.397SS*.  trans-59.597.617000000107F31 E35F31-A33 PolarHBondContact O-N 3.29Å; A33-E35 PolarHBondContact O-N 2.63Å; A33-E35 VanDerWaalsContact O-N 3.15Å
34A55.3Low72.6Confident38 Ų3871.7 Ų71.731%0.31437%0.369SS..  trans-68.7109.6172.600000106.9T32 K36 K188 Y189T32-A34 VanDerWaalsContact C-N 3.28Å; T32-A34 PolarHBondContact O-N 2.9Å; A34-K36 PolarHBondContact O-N 3.48Å; A34-K188 HydrophobicContact CB-CB 4.23Å; A34-Y189 VanDerWaalsContact CA-O 3.23Å; A34-Y189 WeakPolarHBondContact CA-O 3.49Å
35E57.2Low73.7Confident162 Ų16270.9 Ų70.976%0.75736%0.364SS*.EExtended strand (participates in β ladder)trans-57129.1166.4-79.6179.9174.800107.7A33 Y189A33-E35 PolarHBondContact O-N 2.63Å; A33-E35 VanDerWaalsContact O-N 3.15Å; E35-Y189 PolarHBondContact N-O 3.44Å; E35-Y189 PolarHBondContact O-N 3.49Å; E35-Y189 VanDerWaalsContact O-N 3.11Å
36K63.1Low75.2Confident122 Ų12267 Ų6753%0.5335%0.346SS..EExtended strand (participates in β ladder)trans-101.7100.8-174.5-179.1-174.8172.6-169.80107.4A34 E38 L186A34-K36 PolarHBondContact O-N 3.48Å; K36-E38 IonicContact NZ-OE2 3.98Å; K36-L186 HydrophobicContact CD-CD1 3.97Å; K36-L186 HydrophobicContact CD-CD2 4.32Å; K36-L186 HydrophobicContact CD-CG 4.46Å; K36-L186 HydrophobicContact CG-CD1 3.75Å; K36-L186 HydrophobicContact CG-CD2 4.25Å; K36-L186 HydrophobicContact CG-CG 4.03Å
37E74.6Confident76.6Confident82 Ų8263.9 Ų63.938%0.38333%0.331SS..EExtended strand (participates in β ladder)trans-86.1113.2170-160179.4165.900108.3Q187 Y189E37-Q187 PolarHBondContact N-O 3.34Å; E37-Q187 VanDerWaalsContact N-O 3.07Å; E37-Q187 PolarHBondContact O-N 3.4Å; E37-Y189 HydrophobicContact CB-CD2 4.33Å; E37-Y189 HydrophobicContact CB-CE2 3.98Å; E37-Y189 WeakPolarHBondContact OE2-CE2 3.34Å
38E88.6Confident78.1Confident70 Ų7061.6 Ų61.633%0.32732%0.316SS..EExtended strand (participates in β ladder)trans-105.6122177.5-179.5171.316500109.6K36 Y40 R184 L186K36-E38 IonicContact NZ-OE2 3.98Å; E38-Y40 HydrophobicContact CG-CE2 4.01Å; E38-Y40 WeakPolarHBondContact OE1-CE2 3.49Å; E38-Y40 PolarHBondContact OE1-OH 3Å; E38-R184 IonicContact OE1-CZ 3.56Å; E38-R184 IonicContact OE1-NE 2.63Å; E38-R184 PolarHBondContact OE1-NE 3.49Å; E38-R184 IonicContact OE1-NH2 2.83Å; E38-R184 PolarHBondContact OE1-NH2 3.43Å; E38-R184 IonicContact OE2-CZ 2.84Å; E38-R184 IonicContact OE2-NE 3.87Å; E38-R184 IonicContact OE2-NH2 3.99Å; E38-R184 PolarHBondContact OE2-NH2 3.42Å; E38-L186 HydrophobicContact CB-CD1 4.03Å; E38-L186 HydrophobicContact CG-CD1 4.17Å
39W92.1Very high79.7Confident31 Ų3164.8 Ų64.812%0.11733%0.33CS..EExtended strand (participates in β ladder)trans-142157.7179.361.2-92000111.4T41 R65 T143 N185W39-T41 HydrophobicContact CE3-CG2 4.36Å; W39-T41 HydrophobicContact CH2-CG2 4.03Å; W39-T41 HydrophobicContact CZ3-CG2 3.4Å; W39-T41 VanDerWaalsContact CZ3-CG2 3.4Å; W39-R65 HydrophobicContact CE3-CG 3.91Å; W39-R65 HydrophobicContact CZ3-CG 4.39Å; W39-T143 HydrophobicContact CB-CG2 4.45Å; W39-N185 HydrophobicContact CD2-CB 3.62Å; W39-N185 HydrophobicContact CE3-CB 4.01Å; W39-N185 HydrophobicContact CG-CB 4.25Å; W39-N185 HydrophobicContact CH2-CB 3.76Å; W39-N185 VanDerWaalsContact CH2-CG 3.43Å; W39-N185 WeakPolarHBondContact CH2-ND2 3.43Å; W39-N185 HydrophobicContact CZ2-CB 3.33Å; W39-N185 VanDerWaalsContact CZ2-CG 3.44Å; W39-N185 HydrophobicContact CZ3-CB 4.1Å; W39-N185 WeakPolarHBondContact CZ3-ND2 3.34Å; W39-N185 PolarHBondContact N-O 3.2Å; W39-N185 VanDerWaalsContact N-O 3.13Å; W39-N185 PolarHBondContact O-N 3.15Å
40Y95.8Very high81Confident51 Ų5160.4 Ų60.420%0.231%0.308CS..EExtended strand (participates in β ladder)trans-120.4129.7-175.2-68.7-103.7000109.3E38 Y66 K72 V181 R184E38-Y40 HydrophobicContact CG-CE2 4.01Å; E38-Y40 WeakPolarHBondContact OE1-CE2 3.49Å; E38-Y40 PolarHBondContact OE1-OH 3Å; Y40-Y66 PolarHBondContact O-N 3.43Å; Y40-K72 HydrophobicContact CD2-CD 4.1Å; Y40-K72 HydrophobicContact CD2-CG 4.3Å; Y40-K72 HydrophobicContact CG-CD 4.13Å; Y40-K72 HydrophobicContact CG-CG 4.42Å; Y40-V181 HydrophobicContact CD1-CG1 4.21Å; Y40-R184 HydrophobicContact CD1-CB 4.06Å; Y40-R184 HydrophobicContact CD1-CG 4.37Å; Y40-R184 HydrophobicContact CE1-CB 3.71Å; Y40-R184 HydrophobicContact CE1-CG 3.74Å; Y40-R184 HydrophobicContact CE2-CG 4.35Å; Y40-R184 WeakPolarHBondContact OH-CD 3.3Å; Y40-R184 PolarHBondContact OH-NE 2.92Å
41T97Very high82.2Confident17 Ų1758 Ų5810%0.10430%0.299CS..EExtended strand (participates in β ladder)trans-71.3164.4165.755.20000109.9W39 E62 G64 Y66 G182 T183W39-T41 HydrophobicContact CE3-CG2 4.36Å; W39-T41 HydrophobicContact CH2-CG2 4.03Å; W39-T41 HydrophobicContact CZ3-CG2 3.4Å; W39-T41 VanDerWaalsContact CZ3-CG2 3.4Å; T41-E62 WeakPolarHBondContact CB-OE1 3.33Å; T41-E62 HydrophobicContact CG2-CG 4.47Å; T41-E62 PolarHBondContact OG1-OE1 2.83Å; T41-G64 CarbonylContact C-O 3.47Å; T41-G64 WeakPolarHBondContact CA-O 3.47Å; T41-Y66 WeakPolarHBondContact O-CD2 3.39Å; T41-Y66 WeakPolarHBondContact O-CE2 3.48Å; T41-G182 VanDerWaalsContact O-CA 3.27Å; T41-G182 WeakPolarHBondContact O-CA 3.38Å; T41-G182 PolarHBondContact O-N 3.4Å; T41-G182 WeakPolarHBondContact OG1-CA 3.29Å; T41-T183 PolarHBondContact N-O 3.2Å; T41-T183 WeakPolarHBondContact OG1-CA 3.41Å; T41-T183 PolarHBondContact OG1-N 3.41Å; T41-T183 PolarHBondContact OG1-O 3.02Å
42A97.9Very high83.8Confident0 Ų056.6 Ų56.60%030%0.304CS..EExtended strand (participates in β ladder)trans-127.7132.3173.500000109.5V44 G64 Y66 I155 I179 S180A42-V44 PolarHBondContact O-N 3.41Å; A42-G64 PolarHBondContact N-O 3.39Å; A42-G64 WeakPolarHBondContact O-CA 3.47Å; A42-G64 PolarHBondContact O-N 3.36Å; A42-Y66 HydrophobicContact CB-CD2 3.72Å; A42-Y66 HydrophobicContact CB-CE2 3.33Å; A42-I155 HydrophobicContact CB-CB 4.48Å; A42-I155 HydrophobicContact CB-CD1 4.21Å; A42-I155 HydrophobicContact CB-CG2 3.94Å; A42-I179 HydrophobicContact CB-CG2 4.19Å; A42-S180 WeakPolarHBondContact CA-O 3.44Å
43F98.1Very high85.4Confident53 Ų5356.7 Ų56.723%0.23231%0.306CS..EExtended strand (participates in β ladder)trans-77.7122.2165.3-74.8-80.1000108.7K60 E62 I179 S180F43-K60 HydrophobicContact CD1-CD 4.47Å; F43-K60 VanDerWaalsContact CD1-CE 3.48Å; F43-K60 HydrophobicContact CD1-CG 4.27Å; F43-E62 HydrophobicContact CD1-CB 3.65Å; F43-E62 HydrophobicContact CD1-CG 4.02Å; F43-E62 HydrophobicContact CD2-CG 4.49Å; F43-E62 HydrophobicContact CE1-CB 3.48Å; F43-E62 VanDerWaalsContact CE1-CB 3.48Å; F43-E62 HydrophobicContact CE1-CG 3.83Å; F43-E62 HydrophobicContact CE2-CG 4.29Å; F43-E62 HydrophobicContact CG-CB 4.41Å; F43-E62 HydrophobicContact CG-CG 4.34Å; F43-E62 HydrophobicContact CZ-CB 4.1Å; F43-E62 HydrophobicContact CZ-CG 3.95Å; F43-E62 WeakPolarHBondContact CZ-OE2 3.32Å; F43-I179 WeakPolarHBondContact O-CA 3.27Å; F43-S180 VanDerWaalsContact CB-OG 3.32Å; F43-S180 WeakPolarHBondContact CB-OG 3.3Å; F43-S180 PolarHBondContact N-O 2.85Å; F43-S180 PolarHBondContact O-N 2.79Å
44V97.8Very high87.1Confident0 Ų057.6 Ų57.60%031%0.308CS..EExtended strand (participates in β ladder)trans-103.2112.6174.4-178.60000107.3A42 I46 T61 I155 I157 M177A42-V44 PolarHBondContact O-N 3.41Å; V44-I46 HydrophobicContact CG1-CG2 4.23Å; V44-T61 PolarHBondContact N-O 3.47Å; V44-T61 PolarHBondContact O-N 3.25Å; V44-T61 PolarHBondContact O-OG1 2.96Å; V44-I155 HydrophobicContact CG2-CD1 3.78Å; V44-I157 HydrophobicContact CG2-CG2 3.83Å; V44-M177 HydrophobicContact CG1-CE 3.95Å; V44-M177 HydrophobicContact CG1-CG 4.15Å; V44-M177 HydrophobicContact CG1-SD 3.98Å
45N97.9Very high88.8Confident34 Ų3462 Ų6218%0.18232%0.322CS..EExtended strand (participates in β ladder)trans-109.4117.9175.2-179.69.6000109.5T58 E59 K60 M177 H178N45-T58 WeakPolarHBondContact OD1-CG2 3.24Å; N45-E59 CarbonylContact C-O 3.44Å; N45-E59 VanDerWaalsContact CA-O 3.28Å; N45-E59 WeakPolarHBondContact CA-O 3.11Å; N45-E59 PolarHBondContact OD1-O 3.39Å; N45-K60 HydrophobicContact CB-CB 4.2Å; N45-K60 HydrophobicContact CB-CG 4.21Å; N45-M177 CarbonylContact O-C 3.52Å; N45-M177 WeakPolarHBondContact O-CA 3.32Å; N45-H178 HydrophobicContact CB-CB 4.2Å; N45-H178 WeakPolarHBondContact CB-O 3.4Å; N45-H178 PolarHBondContact N-O 2.96Å; N45-H178 PolarHBondContact O-N 2.82Å
46I97.3Very high90.5Very high0 Ų059 Ų590%032%0.315CS..EExtended strand (participates in β ladder)trans-106.9137.7176.961170.5000110.4V44 T58 E59 I165 L168 V175 M177V44-I46 HydrophobicContact CG1-CG2 4.23Å; I46-T58 WeakPolarHBondContact O-CA 3.45Å; I46-E59 HydrophobicContact CG1-CB 3.97Å; I46-E59 PolarHBondContact N-O 3.29Å; I46-E59 PolarHBondContact O-N 3.45Å; I46-I165 HydrophobicContact CD1-CG1 4.32Å; I46-I165 HydrophobicContact CG2-CD1 4.05Å; I46-I165 HydrophobicContact CG2-CG1 4.24Å; I46-L168 HydrophobicContact CD1-CD1 4.39Å; I46-V175 HydrophobicContact CB-CG1 4.13Å; I46-V175 HydrophobicContact CG2-CG1 4.33Å; I46-M177 HydrophobicContact CG2-CE 4.12Å; I46-M177 HydrophobicContact CG2-CG 4.48Å
47T96.6Very high92Very high36 Ų3659 Ų5922%0.22131%0.312CS..EExtended strand (participates in β ladder)trans-129.8127.5178.648.10000109.2R57 T58 V176T47-R57 WeakPolarHBondContact CA-O 3.47Å; T47-T58 HydrophobicContact CG2-CG2 3.64Å; T47-V176 PolarHBondContact N-O 3.49Å; T47-V176 PolarHBondContact O-N 3.24Å; T47-V176 WeakPolarHBondContact OG1-CB 3.23Å; T47-V176 PolarHBondContact OG1-O 3.46Å
48Y95.1Very high93Very high39 Ų3959.2 Ų59.215%0.15332%0.318CS..EExtended strand (participates in β ladder)trans-146.8151.8176.663.1-87.3000110.7R57 L168Y48-R57 HydrophobicContact CD1-CB 4.46Å; Y48-R57 HydrophobicContact CD2-CB 4.38Å; Y48-R57 HydrophobicContact CE1-CB 4.03Å; Y48-R57 HydrophobicContact CE2-CB 3.94Å; Y48-R57 HydrophobicContact CE2-CG 4.32Å; Y48-R57 PolarHBondContact N-O 2.92Å; Y48-R57 PolarHBondContact O-N 3.14Å; Y48-R57 WeakPolarHBondContact OH-CD 3.48Å; Y48-L168 HydrophobicContact CD1-CD1 3.89Å; Y48-L168 HydrophobicContact CD2-CD2 4.45Å; Y48-L168 HydrophobicContact CE1-CD1 3.75Å; Y48-L168 HydrophobicContact CE1-CD2 4.48Å; Y48-L168 HydrophobicContact CE2-CD2 4.09Å; Y48-L168 HydrophobicContact CG-CD1 4.45Å
49L93.6Very high93.3Very high99 Ų9959.1 Ų59.152%0.51832%0.318SS..EExtended strand (participates in β ladder)trans-89.3118.8175.5-177.466.4000108.9V56L49-V56 HydrophobicContact CD1-CG2 4.01Å
50D87.3Confident93.4Very high19 Ų1963.6 Ų63.610%0.10234%0.338CS..  trans-74.3122.1174.4177-11000108.8V52 S53 S54 E55 R57D50-V52 VanDerWaalsContact C-N 3.27Å; D50-V52 PolarHBondContact O-N 2.89Å; D50-V52 PolarHBondContact OD1-N 3.18Å; D50-S53 WeakPolarHBondContact CB-OG 3.46Å; D50-S53 PolarHBondContact OD1-N 3.42Å; D50-S53 PolarHBondContact OD2-OG 3.47Å; D50-S54 WeakPolarHBondContact O-CA 3.29Å; D50-S54 PolarHBondContact O-N 3.38Å; D50-E55 PolarHBondContact N-O 3.32Å; D50-R57 HydrophobicContact CB-CG 4.32Å; D50-R57 IonicContact OD2-CZ 3.77Å; D50-R57 IonicContact OD2-NE 2.83Å; D50-R57 PolarHBondContact OD2-NE 3.33Å; D50-R57 IonicContact OD2-NH2 3.05Å; D50-R57 PolarHBondContact OD2-NH2 3.13Å
51P81.4Confident93.5Very high79 Ų7962.9 Ų62.951%0.51334%0.339SS..THydrogen-bonded Turntrans-77.1-20-171.736.4-40.8000111.3F173P51-F173 HydrophobicContact CB-CE1 4.09Å; P51-F173 VanDerWaalsContact CD-CZ 3.47Å; P51-F173 HydrophobicContact CG-CD1 4.47Å; P51-F173 HydrophobicContact CG-CE1 3.29Å; P51-F173 HydrophobicContact CG-CZ 3.58Å
52V85.3Confident93.4Very high134 Ų13466 Ų6681%0.81235%0.353SS*.THydrogen-bonded Turntrans-86.4-47.2-177.1-175.50000109.5D50D50-V52 VanDerWaalsContact C-N 3.27Å; D50-V52 PolarHBondContact O-N 2.89Å; D50-V52 PolarHBondContact OD1-N 3.18Å
53S88.1Confident93.3Very high49 Ų4967.4 Ų67.434%0.34336%0.362SS..THydrogen-bonded Turntrans-87.3-16.9179.260.90000113.5D50 E55D50-S53 WeakPolarHBondContact CB-OG 3.46Å; D50-S53 PolarHBondContact OD1-N 3.42Å; D50-S53 PolarHBondContact OD2-OG 3.47Å; S53-E55 PolarHBondContact O-N 3.23Å; S53-E55 PolarHBondContact OG-N 3.41Å
54S88.4Confident93.2Very high94 Ų9465 Ų6566%0.65735%0.352SS*.  trans56.818.4-168.4-58.50000113.8D50D50-S54 WeakPolarHBondContact O-CA 3.29Å; D50-S54 PolarHBondContact O-N 3.38Å
55E92.6Very high93.2Very high130 Ų13067.1 Ų67.161%0.60736%0.36SS*.  trans-94.8143.8177.3-66.5-172.8161.300111.2D50 S53 R57D50-E55 PolarHBondContact N-O 3.32Å; S53-E55 PolarHBondContact O-N 3.23Å; S53-E55 PolarHBondContact OG-N 3.41Å; E55-R57 PolarHBondContact O-N 3.35Å
56V92.5Very high93.1Very high101 Ų10165.5 Ų65.561%0.61235%0.351SS*.EExtended strand (participates in β ladder)trans-79.9111.2173.2179.90000108.4L49L49-V56 HydrophobicContact CD1-CG2 4.01Å
57R93.9Very high93.1Very high122 Ų12265.5 Ų65.546%0.4635%0.351SS..EExtended strand (participates in β ladder)trans-88.1131.3173.5-67.6-172.5-178.4-124.32.5109.7T47 Y48 D50 E55T47-R57 WeakPolarHBondContact CA-O 3.47Å; Y48-R57 HydrophobicContact CD1-CB 4.46Å; Y48-R57 HydrophobicContact CD2-CB 4.38Å; Y48-R57 HydrophobicContact CE1-CB 4.03Å; Y48-R57 HydrophobicContact CE2-CB 3.94Å; Y48-R57 HydrophobicContact CE2-CG 4.32Å; Y48-R57 PolarHBondContact N-O 2.92Å; Y48-R57 PolarHBondContact O-N 3.14Å; Y48-R57 WeakPolarHBondContact OH-CD 3.48Å; D50-R57 HydrophobicContact CB-CG 4.32Å; D50-R57 IonicContact OD2-CZ 3.77Å; D50-R57 IonicContact OD2-NE 2.83Å; D50-R57 PolarHBondContact OD2-NE 3.33Å; D50-R57 IonicContact OD2-NH2 3.05Å; D50-R57 PolarHBondContact OD2-NH2 3.13Å; E55-R57 PolarHBondContact O-N 3.35Å
58T94.8Very high93Very high85 Ų8569.2 Ų69.252%0.52137%0.366SS..EExtended strand (participates in β ladder)trans-128.1129.8178.4-55.80000108.9N45 I46 T47N45-T58 WeakPolarHBondContact OD1-CG2 3.24Å; I46-T58 WeakPolarHBondContact O-CA 3.45Å; T47-T58 HydrophobicContact CG2-CG2 3.64Å
59E95Very high93Very high68 Ų6872.1 Ų72.132%0.31838%0.381SS..EExtended strand (participates in β ladder)trans-135.4124178.4-168.8-163.9152.200110.1N45 I46 T61 K161N45-E59 CarbonylContact C-O 3.44Å; N45-E59 VanDerWaalsContact CA-O 3.28Å; N45-E59 WeakPolarHBondContact CA-O 3.11Å; N45-E59 PolarHBondContact OD1-O 3.39Å; I46-E59 HydrophobicContact CG1-CB 3.97Å; I46-E59 PolarHBondContact N-O 3.29Å; I46-E59 PolarHBondContact O-N 3.45Å; E59-T61 HydrophobicContact CG-CG2 4.26Å; E59-T61 WeakPolarHBondContact OE1-CG2 3.5Å; E59-K161 IonicContact OE1-NZ 2.96Å; E59-K161 PolarHBondContact OE1-NZ 3.3Å; E59-K161 IonicContact OE2-NZ 3.14Å; E59-K161 PolarHBondContact OE2-NZ 2.91Å
60K95.6Very high93.1Very high126 Ų12667.6 Ų67.655%0.54836%0.357SS..EExtended strand (participates in β ladder)trans-115121.8179.3-178.5179.2178.6-178.10110F43 N45F43-K60 HydrophobicContact CD1-CD 4.47Å; F43-K60 VanDerWaalsContact CD1-CE 3.48Å; F43-K60 HydrophobicContact CD1-CG 4.27Å; N45-K60 HydrophobicContact CB-CB 4.2Å; N45-K60 HydrophobicContact CB-CG 4.21Å
61T96.3Very high93.6Very high36 Ų3667.7 Ų67.722%0.22136%0.359CS..EExtended strand (participates in β ladder)trans-133.2134.3-179.553.50000111.4V44 E59 C63V44-T61 PolarHBondContact N-O 3.47Å; V44-T61 PolarHBondContact O-N 3.25Å; V44-T61 PolarHBondContact O-OG1 2.96Å; E59-T61 HydrophobicContact CG-CG2 4.26Å; E59-T61 WeakPolarHBondContact OE1-CG2 3.5Å; T61-C63 VanDerWaalsContact C-N 3.28Å; T61-C63 PolarHBondContact O-N 3.36Å; T61-C63 VanDerWaalsContact O-N 3.1Å; T61-C63 PolarHBondContact OG1-SG 3.09Å; T61-C63 VanDerWaalsContact OG1-SG 3.39Å
62E96.9Very high94.3Very high83 Ų8367.3 Ų67.339%0.38835%0.349SS..EExtended strand (participates in β ladder)trans-84.270.2171.8-162178.7178.300110.5T41 F43 T183T41-E62 WeakPolarHBondContact CB-OE1 3.33Å; T41-E62 HydrophobicContact CG2-CG 4.47Å; T41-E62 PolarHBondContact OG1-OE1 2.83Å; F43-E62 HydrophobicContact CD1-CB 3.65Å; F43-E62 HydrophobicContact CD1-CG 4.02Å; F43-E62 HydrophobicContact CD2-CG 4.49Å; F43-E62 HydrophobicContact CE1-CB 3.48Å; F43-E62 VanDerWaalsContact CE1-CB 3.48Å; F43-E62 HydrophobicContact CE1-CG 3.83Å; F43-E62 HydrophobicContact CE2-CG 4.29Å; F43-E62 HydrophobicContact CG-CB 4.41Å; F43-E62 HydrophobicContact CG-CG 4.34Å; F43-E62 HydrophobicContact CZ-CB 4.1Å; F43-E62 HydrophobicContact CZ-CG 3.95Å; F43-E62 WeakPolarHBondContact CZ-OE2 3.32Å; E62-T183 VanDerWaalsContact OE1-CB 3.3Å; E62-T183 WeakPolarHBondContact OE1-CB 3.25Å; E62-T183 PolarHBondContact OE1-N 3Å; E62-T183 VanDerWaalsContact OE1-N 3.15Å; E62-T183 PolarHBondContact OE1-OG1 3.17Å
63C94.9Very high94.8Very high29 Ų2966.7 Ų66.720%0.19633%0.332CS..EExtended strand (participates in β ladder)trans-114.6-14.1-176.863.80000113.1T61 P158T61-C63 VanDerWaalsContact C-N 3.28Å; T61-C63 PolarHBondContact O-N 3.36Å; T61-C63 VanDerWaalsContact O-N 3.1Å; T61-C63 PolarHBondContact OG1-SG 3.09Å; T61-C63 VanDerWaalsContact OG1-SG 3.39Å; C63-P158 HydrophobicContact CB-CG 4.21Å; C63-P158 VanDerWaalsContact O-CD 3.29Å; C63-P158 WeakPolarHBondContact O-CD 3.5Å
64G95.9Very high95.2Very high1 Ų170.5 Ų70.51%0.0135%0.345CS..EExtended strand (participates in β ladder)trans-81.7157.6-176.700000112.6T41 A42 M156T41-G64 CarbonylContact C-O 3.47Å; T41-G64 WeakPolarHBondContact CA-O 3.47Å; A42-G64 PolarHBondContact N-O 3.39Å; A42-G64 WeakPolarHBondContact O-CA 3.47Å; A42-G64 PolarHBondContact O-N 3.36Å; G64-M156 CarbonylContact C-O 3.52Å; G64-M156 WeakPolarHBondContact CA-O 3.42Å
65R96.9Very high95.6Very high45 Ų4566.5 Ų66.517%0.1732%0.318CS..EExtended strand (participates in β ladder)trans-129.4127.8168.9-174.4178.3-71-158.64.8109.4W39 T141 I155 M156W39-R65 HydrophobicContact CE3-CG 3.91Å; W39-R65 HydrophobicContact CZ3-CG 4.39Å; R65-T141 PolarHBondContact NE-O 3.12Å; R65-T141 PolarHBondContact NE-OG1 3.37Å; R65-T141 PolarHBondContact NH1-O 2.88Å; R65-T141 PolarHBondContact NH2-O 3.04Å; R65-I155 CarbonylContact O-C 3.41Å; R65-I155 VanDerWaalsContact O-CA 3.26Å; R65-I155 WeakPolarHBondContact O-CA 3.38Å; R65-M156 PolarHBondContact N-O 3.41Å; R65-M156 PolarHBondContact O-N 3.21Å
66Y97.5Very high95.8Very high1 Ų167.9 Ų67.90%0.00432%0.317CS..EExtended strand (participates in β ladder)trans-66.5140.6175.6-78.9-98.8000110.5Y40 T41 A42 K72 R73 V153 I155 S180 V181Y40-Y66 PolarHBondContact O-N 3.43Å; T41-Y66 WeakPolarHBondContact O-CD2 3.39Å; T41-Y66 WeakPolarHBondContact O-CE2 3.48Å; A42-Y66 HydrophobicContact CB-CD2 3.72Å; A42-Y66 HydrophobicContact CB-CE2 3.33Å; Y66-K72 HydrophobicContact CD1-CD 3.65Å; Y66-K72 HydrophobicContact CD2-CD 4.28Å; Y66-K72 HydrophobicContact CE1-CD 4.41Å; Y66-K72 HydrophobicContact CG-CD 3.58Å; Y66-R73 PolarHBondContact OH-O 2.73Å; Y66-V153 HydrophobicContact CD1-CG1 4.44Å; Y66-V153 HydrophobicContact CE1-CG1 3.79Å; Y66-I155 HydrophobicContact CD1-CG2 3.88Å; Y66-I155 HydrophobicContact CD2-CG2 4.28Å; Y66-I155 HydrophobicContact CE1-CG2 4Å; Y66-I155 HydrophobicContact CE2-CG2 4.37Å; Y66-I155 HydrophobicContact CG-CG2 4.01Å; Y66-S180 PolarHBondContact OH-O 2.68Å; Y66-V181 PolarHBondContact OH-N 3.18Å
67G96.3Very high96Very high0 Ų063.3 Ų63.30%029%0.291CS..  trans-63.8156.8167.400000111.4H69 S70 K72 M144 H146 A154G67-H69 VanDerWaalsContact C-N 3.34Å; G67-H69 PolarHBondContact O-N 3.12Å; G67-S70 VanDerWaalsContact O-CB 3.24Å; G67-S70 WeakPolarHBondContact O-CB 3.5Å; G67-S70 PolarHBondContact O-N 3.11Å; G67-S70 VanDerWaalsContact O-N 3.16Å; G67-K72 PolarHBondContact O-NZ 3.2Å; G67-M144 WeakPolarHBondContact CA-O 3.32Å; G67-H146 VanDerWaalsContact CA-NE2 3.31Å; G67-H146 WeakPolarHBondContact CA-NE2 3.33Å; G67-A154 PolarHBondContact N-O 3.33Å
68E94.5Very high96.1Very high113 Ų11361.7 Ų61.753%0.52828%0.284SS..THydrogen-bonded Turntrans-54.5-50.7-172.3-174.5178.5-16200111.2K72 T143 M144E68-K72 PolarHBondContact O-NZ 2.96Å; E68-K72 VanDerWaalsContact O-NZ 3.13Å; E68-T143 HydrophobicContact CB-CG2 3.97Å; E68-M144 WeakPolarHBondContact CB-O 3.47Å; E68-M144 PolarHBondContact N-O 3.08Å
69H94.7Very high96.2Very high100 Ų10057.8 Ų57.846%0.46326%0.261SS..THydrogen-bonded Turntrans-931.8-176.4-60.282.7000113.2G67G67-H69 VanDerWaalsContact C-N 3.34Å; G67-H69 PolarHBondContact O-N 3.12Å
70S96.7Very high96.2Very high4 Ų455.5 Ų55.53%0.02825%0.251CS..SBendtrans-69134.2-178.2-1780000111G67 K72 H146 A154G67-S70 VanDerWaalsContact O-CB 3.24Å; G67-S70 WeakPolarHBondContact O-CB 3.5Å; G67-S70 PolarHBondContact O-N 3.11Å; G67-S70 VanDerWaalsContact O-N 3.16Å; S70-K72 PolarHBondContact O-N 3.29Å; S70-K72 PolarHBondContact O-NZ 3.23Å; S70-H146 VanDerWaalsContact CA-CE1 3.49Å; S70-H146 WeakPolarHBondContact CA-CE1 3.23Å; S70-H146 PolarHBondContact N-CE1 2.79Å; S70-H146 PolarHBondContact N-NE2 3.43Å; S70-A154 VanDerWaalsContact CB-O 3.28Å; S70-A154 WeakPolarHBondContact CB-O 3.45Å; S70-A154 PolarHBondContact OG-N 3.42Å; S70-A154 PolarHBondContact OG-O 2.92Å
71P96.6Very high96.2Very high22 Ų2251 Ų5114%0.14323%0.232CC..  trans-57.8126170.3-22.533.6000110.8R73 D151 I152P71-R73 VanDerWaalsContact C-N 3.27Å; P71-R73 HydrophobicContact CB-CG 4.18Å; P71-R73 PolarHBondContact O-N 2.98Å; P71-D151 HydrophobicContact CG-CB 4.48Å; P71-I152 WeakPolarHBondContact CD-O 3.33Å
72K96.2Very high96.1Very high70 Ų7049.4 Ų49.430%0.30422%0.222SC..  trans-84.370.3-179.6-50.9-58.1-173.8-93.30110Y40 Y66 G67 E68 S70 V181Y40-K72 HydrophobicContact CD2-CD 4.1Å; Y40-K72 HydrophobicContact CD2-CG 4.3Å; Y40-K72 HydrophobicContact CG-CD 4.13Å; Y40-K72 HydrophobicContact CG-CG 4.42Å; Y66-K72 HydrophobicContact CD1-CD 3.65Å; Y66-K72 HydrophobicContact CD2-CD 4.28Å; Y66-K72 HydrophobicContact CE1-CD 4.41Å; Y66-K72 HydrophobicContact CG-CD 3.58Å; G67-K72 PolarHBondContact O-NZ 3.2Å; E68-K72 PolarHBondContact O-NZ 2.96Å; E68-K72 VanDerWaalsContact O-NZ 3.13Å; S70-K72 PolarHBondContact O-N 3.29Å; S70-K72 PolarHBondContact O-NZ 3.23Å; K72-V181 WeakPolarHBondContact O-CG2 3.48Å
73R96.4Very high95.6Very high121 Ų12148.1 Ų48.146%0.45723%0.231SC..SBendtrans-141.5164.8-179.568.3-174.9-177.6-129.80.5111.2Y66 P71 D151 V153Y66-R73 PolarHBondContact OH-O 2.73Å; P71-R73 VanDerWaalsContact C-N 3.27Å; P71-R73 HydrophobicContact CB-CG 4.18Å; P71-R73 PolarHBondContact O-N 2.98Å; R73-D151 PolarHBondContact NH2-O 3.45Å; R73-V153 HydrophobicContact CG-CG2 3.84Å
74E96.9Very high95.3Very high129 Ų12951 Ų5160%0.60324%0.244SC*.  trans-69.2146.4-180-54.1-169.9148.100112I179E74-I179 VanDerWaalsContact CA-O 3.24Å; E74-I179 WeakPolarHBondContact CA-O 3.47Å
75A97Very high94.8Very high11 Ų1155.6 Ų55.69%0.09127%0.274CS..EExtended strand (participates in β ladder)trans-142.9144.7173.300000110.5A131 V153 I179A75-A131 HydrophobicContact CB-CB 3.69Å; A75-V153 HydrophobicContact CB-CB 3.99Å; A75-V153 HydrophobicContact CB-CG1 4.17Å; A75-V153 HydrophobicContact CB-CG2 4.07Å; A75-I179 HydrophobicContact CB-CB 4.49Å; A75-I179 PolarHBondContact N-O 3.26Å; A75-I179 PolarHBondContact O-N 3.3Å
76R96.3Very high94.2Very high159 Ų15960.9 Ų60.960%0.630%0.3SS*.EExtended strand (participates in β ladder)trans-141.1146.2-177.5-172.7-174.1175.9-176.9-1.6110.4A105 V176 M177 H178R76-A105 WeakPolarHBondContact O-CB 3.29Å; R76-V176 HydrophobicContact CG-CG1 4.4Å; R76-M177 VanDerWaalsContact CA-O 3.29Å; R76-M177 WeakPolarHBondContact CA-O 3.43Å; R76-M177 WeakPolarHBondContact CG-O 3.41Å; R76-H178 HydrophobicContact CG-CB 4.34Å
77G96Very high93.8Very high5 Ų561.8 Ų61.85%0.05231%0.306CS..EExtended strand (participates in β ladder)trans177.1173.5169.300000113.6A105 M177G77-A105 CarbonylContact C-O 3.48Å; G77-A105 WeakPolarHBondContact CA-O 3.31Å; G77-M177 PolarHBondContact N-O 2.95Å; G77-M177 PolarHBondContact O-N 3.01Å
78R95.8Very high93.5Very high87 Ų8765.3 Ų65.333%0.32832%0.319SS..EExtended strand (participates in β ladder)trans-66.5134.5168.2-67.2178.965.6-165.3-1.3109.7A105 W106 V107 V176R78-A105 PolarHBondContact N-O 3.45Å; R78-A105 VanDerWaalsContact N-O 3.07Å; R78-W106 CarbonylContact O-C 3.6Å; R78-W106 WeakPolarHBondContact O-CA 3.21Å; R78-W106 VanDerWaalsContact O-CB 3.28Å; R78-W106 WeakPolarHBondContact O-CB 3.25Å; R78-V107 PolarHBondContact O-N 2.97Å; R78-V176 HydrophobicContact CG-CG2 4.03Å
79V97Very high93.4Very high4 Ų464 Ų642%0.02431%0.312CS..EExtended strand (participates in β ladder)trans-80.4129179.9-170.80000109.5V107 L109 I165 L169 V175 M177V79-V107 WeakPolarHBondContact CA-O 3.29Å; V79-L109 HydrophobicContact CG1-CB 3.64Å; V79-L109 HydrophobicContact CG1-CD2 4.08Å; V79-L109 HydrophobicContact CG1-CG 4.47Å; V79-I165 HydrophobicContact CG1-CG2 4.07Å; V79-L169 HydrophobicContact CB-CD1 4.35Å; V79-L169 HydrophobicContact CB-CD2 4.44Å; V79-L169 HydrophobicContact CG1-CD1 3.86Å; V79-V175 HydrophobicContact CB-CB 4.38Å; V79-V175 HydrophobicContact CG2-CB 4.26Å; V79-V175 HydrophobicContact CG2-CG1 3.99Å; V79-V175 PolarHBondContact N-O 3.01Å; V79-M177 HydrophobicContact CG2-CB 3.46Å; V79-M177 VanDerWaalsContact CG2-CB 3.46Å; V79-M177 HydrophobicContact CG2-CE 4.02Å
80L96.1Very high93.3Very high20 Ų2059.3 Ų59.311%0.10529%0.291CS..EExtended strand (participates in β ladder)trans-128.2140.1176.4-58.1177.8000110.2F97 V100 W106 V107 L109L80-F97 HydrophobicContact CB-CD1 4.39Å; L80-V100 HydrophobicContact CD1-CB 4.46Å; L80-V100 HydrophobicContact CD1-CG1 4.21Å; L80-V100 HydrophobicContact CD1-CG2 3.37Å; L80-W106 HydrophobicContact CB-CE3 3.78Å; L80-W106 HydrophobicContact CB-CZ3 4.02Å; L80-W106 HydrophobicContact CD1-CB 4.02Å; L80-W106 HydrophobicContact CD1-CD2 3.75Å; L80-W106 HydrophobicContact CD1-CE3 3.61Å; L80-W106 HydrophobicContact CD1-CG 3.97Å; L80-W106 HydrophobicContact CD1-CZ3 4.26Å; L80-W106 HydrophobicContact CG-CB 4.42Å; L80-W106 HydrophobicContact CG-CD2 4.48Å; L80-W106 HydrophobicContact CG-CE3 3.95Å; L80-V107 PolarHBondContact N-O 3.34Å; L80-L109 PolarHBondContact O-N 3.46Å
81I95.1Very high93.1Very high30 Ų3061.1 Ų61.115%0.15430%0.304CS..  trans-108.5155.4170.757.3173.2000109.3G83 P98 L109 V166 L169I81-G83 PolarHBondContact O-N 3.38Å; I81-P98 VanDerWaalsContact O-CD 3.26Å; I81-P98 WeakPolarHBondContact O-CD 3.48Å; I81-L109 HydrophobicContact CG2-CB 3.9Å; I81-L109 HydrophobicContact CG2-CD2 4.03Å; I81-L109 HydrophobicContact CG2-CG 4.17Å; I81-V166 HydrophobicContact CG2-CG2 4.44Å; I81-L169 HydrophobicContact CG1-CD1 4.46Å; I81-L169 HydrophobicContact CG2-CD1 3.72Å
82P93.7Very high92.8Very high3 Ų363.6 Ų63.62%0.01932%0.316CS..  trans-52.4138.7170.8-29.238.4000112L84 D87 V95 F97 V110P82-L84 VanDerWaalsContact C-N 3.33Å; P82-L84 PolarHBondContact O-N 2.95Å; P82-D87 HydrophobicContact CB-CB 3.79Å; P82-D87 WeakPolarHBondContact CB-O 3.47Å; P82-D87 VanDerWaalsContact CG-O 3.27Å; P82-D87 WeakPolarHBondContact CG-O 3.47Å; P82-V95 HydrophobicContact CB-CG2 3.74Å; P82-V95 HydrophobicContact CG-CG2 3.78Å; P82-F97 HydrophobicContact CG-CD1 4.48Å; P82-F97 HydrophobicContact CG-CE1 3.83Å; P82-F97 HydrophobicContact CG-CZ 4.12Å; P82-V110 HydrophobicContact CG-CG1 4.29Å
83G86.9Confident92.5Very high56 Ų5664.6 Ų64.658%0.57733%0.329SS*.SBendtrans-68.4-28.8-172.100000114.3I81 R96I81-G83 PolarHBondContact O-N 3.38Å; G83-R96 PolarHBondContact N-O 3.2Å
84L88.4Confident92.2Very high90 Ų9064.7 Ų64.747%0.47134%0.339SS..SBendtrans-98.9137.8179-64.2172.6000110.7P82 Q86 D87P82-L84 VanDerWaalsContact C-N 3.33Å; P82-L84 PolarHBondContact O-N 2.95Å; L84-Q86 VanDerWaalsContact C-N 3.26Å; L84-Q86 HydrophobicContact CB-CG 4.16Å; L84-Q86 PolarHBondContact O-N 3.41Å; L84-D87 HydrophobicContact CB-CB 4.27Å; L84-D87 PolarHBondContact O-N 2.97Å
85P85.6Confident91.9Very high97 Ų9759 Ų5963%0.6331%0.313SS*.G310 helixtrans-56.7-37.4178.3-27.135000114.1D87 R88P85-D87 PolarHBondContact O-N 3.42Å; P85-R88 WeakPolarHBondContact O-CB 3.41Å; P85-R88 VanDerWaalsContact O-CG 3.31Å; P85-R88 WeakPolarHBondContact O-CG 3.31Å; P85-R88 PolarHBondContact O-N 3.06Å
86Q85.2Confident91.5Very high156 Ų15668.1 Ų68.173%0.72935%0.345SS*.G310 helixtrans-66.3-24.8177.971.5-165.511.300112.9L84L84-Q86 VanDerWaalsContact C-N 3.26Å; L84-Q86 HydrophobicContact CB-CG 4.16Å; L84-Q86 PolarHBondContact O-N 3.41Å
87D89.5Confident91.3Very high21 Ų2161.9 Ų61.911%0.11232%0.323CS..G310 helixtrans-92.1-1.5-177.3-63.4-11.4000112.5P82 L84 P85 Q89 G90 V95P82-D87 HydrophobicContact CB-CB 3.79Å; P82-D87 WeakPolarHBondContact CB-O 3.47Å; P82-D87 VanDerWaalsContact CG-O 3.27Å; P82-D87 WeakPolarHBondContact CG-O 3.47Å; L84-D87 HydrophobicContact CB-CB 4.27Å; L84-D87 PolarHBondContact O-N 2.97Å; P85-D87 PolarHBondContact O-N 3.42Å; D87-Q89 PolarHBondContact O-N 3.1Å; D87-G90 PolarHBondContact O-N 2.95Å; D87-V95 HydrophobicContact CB-CG2 4.09Å
88R89.9Confident91Very high74 Ų7464.2 Ų64.228%0.27934%0.337SS..THydrogen-bonded Turntrans-56.4-22.9-176.7-74.6-178-179.7-159.40.3113.7P85 G90 A111 E170P85-R88 WeakPolarHBondContact O-CB 3.41Å; P85-R88 VanDerWaalsContact O-CG 3.31Å; P85-R88 WeakPolarHBondContact O-CG 3.31Å; P85-R88 PolarHBondContact O-N 3.06Å; R88-G90 VanDerWaalsContact C-N 3.34Å; R88-A111 PolarHBondContact O-N 3.1Å; R88-E170 IonicContact CZ-OE1 3.16Å; R88-E170 IonicContact NH1-OE1 2.75Å; R88-E170 PolarHBondContact NH1-OE1 3.43Å; R88-E170 IonicContact NH2-OE1 2.68Å; R88-E170 PolarHBondContact NH2-OE1 3.41Å
89Q92.3Very high90.5Very high84 Ų8466.5 Ų66.539%0.39336%0.363SS..THydrogen-bonded Turntrans-78.6-13175.4-60.9-178.219.800113.3D87 C91 A111 G113 K120D87-Q89 PolarHBondContact O-N 3.1Å; Q89-C91 PolarHBondContact O-N 3.31Å; Q89-A111 HydrophobicContact CG-CB 4.48Å; Q89-G113 VanDerWaalsContact OE1-CA 3.3Å; Q89-K120 WeakPolarHBondContact O-CG 3.12Å; Q89-K120 PolarHBondContact O-NZ 3.28Å
90G91.1Very high89.9Confident2 Ų268.1 Ų68.12%0.02137%0.372CS..  trans66.119.1178.400000115.2D87 R88 N123D87-G90 PolarHBondContact O-N 2.95Å; R88-G90 VanDerWaalsContact C-N 3.34Å; G90-N123 PolarHBondContact O-ND2 2.99Å
91C92.9Very high89.4Confident43 Ų4370.8 Ų70.829%0.29139%0.391SS..  trans-79.8-28.4-176.9-63.30000113.6Q89 C115 N123Q89-C91 PolarHBondContact O-N 3.31Å; C91-C115 WeakPolarHBondContact CA-SG 3.27Å; C91-C115 HydrophobicContact CB-CB 3.7Å; C91-C115 WeakPolarHBondContact CB-SG 3.48Å; C91-C115 WeakPolarHBondContact SG-CB 3.46Å; C91-C115 CovalentContact SG-SG 2.04Å; C91-C115 PolarHBondContact SG-SG 3.33Å; C91-N123 PolarHBondContact O-ND2 3.05Å
92D91.6Very high88.6Confident73 Ų7378.2 Ų78.239%0.3943%0.425SS..SBendtrans-72.1127177.6-167.2-35.1000110.2N94 V95 N123D92-N94 PolarHBondContact O-N 3.33Å; D92-N94 WeakPolarHBondContact OD1-CA 3.38Å; D92-N94 WeakPolarHBondContact OD1-CB 3.37Å; D92-N94 PolarHBondContact OD1-N 3.36Å; D92-V95 VanDerWaalsContact O-CB 3.27Å; D92-V95 WeakPolarHBondContact O-CB 3.45Å; D92-V95 VanDerWaalsContact O-CG1 3.29Å; D92-V95 WeakPolarHBondContact O-CG1 3.25Å; D92-V95 PolarHBondContact O-N 2.94Å; D92-N123 PolarHBondContact O-ND2 3.41Å
93P89.8Confident88.1Confident91 Ų9186.4 Ų86.459%0.59147%0.469SS*.THydrogen-bonded Turntrans-60.5-21.8174.325.5-35.6000113.9
94N89.1Confident88.1Confident124 Ų12486.2 Ų86.266%0.66346%0.456SS*.THydrogen-bonded Turntrans-97.516.9176.5-56.9-65.2000112.9D92 R96D92-N94 PolarHBondContact O-N 3.33Å; D92-N94 WeakPolarHBondContact OD1-CA 3.38Å; D92-N94 WeakPolarHBondContact OD1-CB 3.37Å; D92-N94 PolarHBondContact OD1-N 3.36Å; N94-R96 WeakPolarHBondContact O-CG 3.17Å; N94-R96 PolarHBondContact O-N 3.44Å
95V90.3Very high88.4Confident9 Ų984.4 Ų84.46%0.05545%0.454CS..PPolyproline II helixtrans-49.2127.417759.50000110.7P82 D87 D92 F97 N123P82-V95 HydrophobicContact CB-CG2 3.74Å; P82-V95 HydrophobicContact CG-CG2 3.78Å; D87-V95 HydrophobicContact CB-CG2 4.09Å; D92-V95 VanDerWaalsContact O-CB 3.27Å; D92-V95 WeakPolarHBondContact O-CB 3.45Å; D92-V95 VanDerWaalsContact O-CG1 3.29Å; D92-V95 WeakPolarHBondContact O-CG1 3.25Å; D92-V95 PolarHBondContact O-N 2.94Å; V95-F97 HydrophobicContact CG1-CE2 3.83Å; V95-F97 HydrophobicContact CG1-CZ 4.49Å; V95-F97 HydrophobicContact CG2-CE2 4.07Å; V95-F97 HydrophobicContact CG2-CZ 4.28Å; V95-N123 HydrophobicContact CG1-CB 3.98Å
96R89.8Confident88.9Confident203 Ų20380.4 Ų80.477%0.76643%0.426SS*.PPolyproline II helixtrans-103.4121.1-178.1-63.9-167.3179.7-1540.1111.1G83 N94G83-R96 PolarHBondContact N-O 3.2Å; N94-R96 WeakPolarHBondContact O-CG 3.17Å; N94-R96 PolarHBondContact O-N 3.44Å
97F91.3Very high89.5Confident28 Ų2873 Ų7312%0.12339%0.392CS..PPolyproline II helixtrans-92149.7168-64.5-88.8000110.3L80 P82 V95 W106 A108 V110 A124L80-F97 HydrophobicContact CB-CD1 4.39Å; P82-F97 HydrophobicContact CG-CD1 4.48Å; P82-F97 HydrophobicContact CG-CE1 3.83Å; P82-F97 HydrophobicContact CG-CZ 4.12Å; V95-F97 HydrophobicContact CG1-CE2 3.83Å; V95-F97 HydrophobicContact CG1-CZ 4.49Å; V95-F97 HydrophobicContact CG2-CE2 4.07Å; V95-F97 HydrophobicContact CG2-CZ 4.28Å; F97-W106 HydrophobicContact CB-CH2 3.9Å; F97-W106 HydrophobicContact CB-CZ3 4.25Å; F97-W106 AromaticContact CD1-CH2 3.72Å; F97-W106 HydrophobicContact CD1-CH2 3.72Å; F97-W106 AromaticContact CD1-CZ3 3.59Å; F97-W106 HydrophobicContact CD1-CZ3 3.59Å; F97-W106 AromaticContact CD2-CH2 3.64Å; F97-W106 HydrophobicContact CD2-CH2 3.64Å; F97-W106 HydrophobicContact CD2-CZ3 4.36Å; F97-W106 HydrophobicContact CE1-CH2 4.13Å; F97-W106 AromaticContact CE1-CZ3 3.96Å; F97-W106 HydrophobicContact CE1-CZ3 3.96Å; F97-W106 HydrophobicContact CE2-CH2 4.05Å; F97-W106 AromaticContact CG-CH2 3.45Å; F97-W106 HydrophobicContact CG-CH2 3.45Å; F97-W106 VanDerWaalsContact CG-CH2 3.45Å; F97-W106 HydrophobicContact CG-CZ2 4.42Å; F97-W106 AromaticContact CG-CZ3 3.8Å; F97-W106 HydrophobicContact CG-CZ3 3.8Å; F97-W106 HydrophobicContact CZ-CH2 4.28Å; F97-W106 HydrophobicContact CZ-CZ3 4.5Å; F97-A108 HydrophobicContact CE1-CB 3.95Å; F97-A108 HydrophobicContact CZ-CB 4.06Å; F97-V110 HydrophobicContact CZ-CG1 4.34Å; F97-A124 HydrophobicContact CE2-CB 4.49Å; F97-A124 HydrophobicContact CZ-CB 4.26Å
98P89.6Confident89.9Confident54 Ų5472 Ų7235%0.35139%0.386SS..PPolyproline II helixtrans-54.1141.5173.2-25.734.1000111.6I81 V100I81-P98 VanDerWaalsContact O-CD 3.26Å; I81-P98 WeakPolarHBondContact O-CD 3.48Å; P98-V100 PolarHBondContact O-N 3.46Å
99P84.9Confident90.3Very high134 Ų13468.5 Ų68.587%0.8737%0.373SS*.PPolyproline II helixtrans-63.5131.3179.626.4-33.3000110.4
100V85.3Confident90.4Very high38 Ų3864.5 Ų64.523%0.2336%0.355CS..  trans-105.4144.8176.7-135.20000108L80 P98 T104 W106L80-V100 HydrophobicContact CD1-CB 4.46Å; L80-V100 HydrophobicContact CD1-CG1 4.21Å; L80-V100 HydrophobicContact CD1-CG2 3.37Å; P98-V100 PolarHBondContact O-N 3.46Å; V100-T104 WeakPolarHBondContact CB-OG1 3.34Å; V100-T104 WeakPolarHBondContact CG1-OG1 3.34Å; V100-W106 HydrophobicContact CG1-CB 4.36Å; V100-W106 HydrophobicContact CG2-CB 4.41Å; V100-W106 HydrophobicContact CG2-CD2 4.38Å; V100-W106 HydrophobicContact CG2-CG 3.95Å
101P84.7Confident90.6Very high76 Ų7665 Ų6549%0.49436%0.359SS..  trans-54.8152174.8-2535.4000111.9N103 T104P101-N103 PolarHBondContact O-N 2.89Å; P101-T104 HydrophobicContact CB-CG2 3.93Å; P101-T104 HydrophobicContact CG-CG2 4.35Å; P101-T104 PolarHBondContact O-N 3.35Å; P101-T104 PolarHBondContact O-OG1 2.98Å
102Q79.8Confident90.6Very high187 Ų18765.4 Ų65.487%0.87436%0.356SS*.THydrogen-bonded Turntrans-57.3139.8178.2-69.2-178.4-14.400110.3T104Q102-T104 VanDerWaalsContact C-N 3.28Å; Q102-T104 PolarHBondContact O-N 2.95Å
103N81.3Confident90.5Very high175 Ų17563.2 Ų63.294%0.93635%0.351SS*.THydrogen-bonded Turntrans64.515.6-177.8-60.8-14.1000116.7P101P101-N103 PolarHBondContact O-N 2.89Å
104T88.5Confident90.5Very high52 Ų5267 Ų6732%0.31937%0.366SS..  trans-92.8119.5170.760.70000111.4V100 P101 Q102V100-T104 WeakPolarHBondContact CB-OG1 3.34Å; V100-T104 WeakPolarHBondContact CG1-OG1 3.34Å; P101-T104 HydrophobicContact CB-CG2 3.93Å; P101-T104 HydrophobicContact CG-CG2 4.35Å; P101-T104 PolarHBondContact O-N 3.35Å; P101-T104 PolarHBondContact O-OG1 2.98Å; Q102-T104 VanDerWaalsContact C-N 3.28Å; Q102-T104 PolarHBondContact O-N 2.95Å
105A94.2Very high90.6Very high51 Ų5162.3 Ų62.342%0.42134%0.343SS..  trans-65.1137.8170.800000110.7R76 G77 R78 S130R76-A105 WeakPolarHBondContact O-CB 3.29Å; G77-A105 CarbonylContact C-O 3.48Å; G77-A105 WeakPolarHBondContact CA-O 3.31Å; R78-A105 PolarHBondContact N-O 3.45Å; R78-A105 VanDerWaalsContact N-O 3.07Å; A105-S130 WeakPolarHBondContact CB-OG 3.27Å
106W96.4Very high90.8Very high13 Ų1365.4 Ų65.45%0.04936%0.362CS..EExtended strand (participates in β ladder)trans-143.1154.7-177.970.9-83.8000111.2R78 L80 F97 V100 A108 S127 N128 A129 S130R78-W106 CarbonylContact O-C 3.6Å; R78-W106 WeakPolarHBondContact O-CA 3.21Å; R78-W106 VanDerWaalsContact O-CB 3.28Å; R78-W106 WeakPolarHBondContact O-CB 3.25Å; L80-W106 HydrophobicContact CB-CE3 3.78Å; L80-W106 HydrophobicContact CB-CZ3 4.02Å; L80-W106 HydrophobicContact CD1-CB 4.02Å; L80-W106 HydrophobicContact CD1-CD2 3.75Å; L80-W106 HydrophobicContact CD1-CE3 3.61Å; L80-W106 HydrophobicContact CD1-CG 3.97Å; L80-W106 HydrophobicContact CD1-CZ3 4.26Å; L80-W106 HydrophobicContact CG-CB 4.42Å; L80-W106 HydrophobicContact CG-CD2 4.48Å; L80-W106 HydrophobicContact CG-CE3 3.95Å; F97-W106 HydrophobicContact CB-CH2 3.9Å; F97-W106 HydrophobicContact CB-CZ3 4.25Å; F97-W106 AromaticContact CD1-CH2 3.72Å; F97-W106 HydrophobicContact CD1-CH2 3.72Å; F97-W106 AromaticContact CD1-CZ3 3.59Å; F97-W106 HydrophobicContact CD1-CZ3 3.59Å; F97-W106 AromaticContact CD2-CH2 3.64Å; F97-W106 HydrophobicContact CD2-CH2 3.64Å; F97-W106 HydrophobicContact CD2-CZ3 4.36Å; F97-W106 HydrophobicContact CE1-CH2 4.13Å; F97-W106 AromaticContact CE1-CZ3 3.96Å; F97-W106 HydrophobicContact CE1-CZ3 3.96Å; F97-W106 HydrophobicContact CE2-CH2 4.05Å; F97-W106 AromaticContact CG-CH2 3.45Å; F97-W106 HydrophobicContact CG-CH2 3.45Å; F97-W106 VanDerWaalsContact CG-CH2 3.45Å; F97-W106 HydrophobicContact CG-CZ2 4.42Å; F97-W106 AromaticContact CG-CZ3 3.8Å; F97-W106 HydrophobicContact CG-CZ3 3.8Å; F97-W106 HydrophobicContact CZ-CH2 4.28Å; F97-W106 HydrophobicContact CZ-CZ3 4.5Å; V100-W106 HydrophobicContact CG1-CB 4.36Å; V100-W106 HydrophobicContact CG2-CB 4.41Å; V100-W106 HydrophobicContact CG2-CD2 4.38Å; V100-W106 HydrophobicContact CG2-CG 3.95Å; W106-A108 HydrophobicContact CE3-CB 4.37Å; W106-A108 HydrophobicContact CH2-CB 4.11Å; W106-A108 HydrophobicContact CZ3-CB 3.56Å; W106-S127 VanDerWaalsContact CZ2-O 3.29Å; W106-S127 WeakPolarHBondContact CZ2-O 3.29Å; W106-N128 PolarHBondContact NE1-O 3.39Å; W106-A129 HydrophobicContact CD2-CB 4.25Å; W106-A129 HydrophobicContact CE3-CB 4.25Å; W106-A129 HydrophobicContact CH2-CB 3.71Å; W106-A129 HydrophobicContact CZ2-CB 3.65Å; W106-A129 HydrophobicContact CZ3-CB 4.02Å; W106-S130 PolarHBondContact N-OG 3.21Å; W106-S130 WeakPolarHBondContact O-CB 3.27Å; W106-S130 PolarHBondContact O-N 2.88Å
107V97.7Very high91.1Very high0 Ų057.3 Ų57.30%033%0.333CS..EExtended strand (participates in β ladder)trans-117.5124.5-176.4-179.90000108.1R78 V79 L80 A131 V133 M177 I179R78-V107 PolarHBondContact O-N 2.97Å; V79-V107 WeakPolarHBondContact CA-O 3.29Å; L80-V107 PolarHBondContact N-O 3.34Å; V107-A131 WeakPolarHBondContact CA-O 3.21Å; V107-A131 HydrophobicContact CG1-CB 4.16Å; V107-A131 HydrophobicContact CG2-CB 4.22Å; V107-V133 HydrophobicContact CG1-CB 4.4Å; V107-V133 HydrophobicContact CG1-CG2 3.46Å; V107-V133 VanDerWaalsContact CG1-CG2 3.46Å; V107-M177 HydrophobicContact CG1-SD 4.16Å; V107-I179 HydrophobicContact CG1-CD1 4.37Å
108A97.3Very high91.3Very high0 Ų059.9 Ų59.90%034%0.341CS..EExtended strand (participates in β ladder)trans-78.6124175.600000109.6F97 W106 A124 A129 A131 V133F97-A108 HydrophobicContact CE1-CB 3.95Å; F97-A108 HydrophobicContact CZ-CB 4.06Å; W106-A108 HydrophobicContact CE3-CB 4.37Å; W106-A108 HydrophobicContact CH2-CB 4.11Å; W106-A108 HydrophobicContact CZ3-CB 3.56Å; A108-A124 HydrophobicContact CB-CB 3.7Å; A108-A129 HydrophobicContact CB-CB 4.15Å; A108-A131 PolarHBondContact N-O 3.49Å; A108-V133 PolarHBondContact O-N 2.84Å
109L97.4Very high91.6Very high1 Ų161.6 Ų61.61%0.00535%0.345CS..EExtended strand (participates in β ladder)trans-104.9118.8169.9-179.267.4000108.7V79 L80 I81 V133 Y135 I157 I165 V166 L169V79-L109 HydrophobicContact CG1-CB 3.64Å; V79-L109 HydrophobicContact CG1-CD2 4.08Å; V79-L109 HydrophobicContact CG1-CG 4.47Å; L80-L109 PolarHBondContact O-N 3.46Å; I81-L109 HydrophobicContact CG2-CB 3.9Å; I81-L109 HydrophobicContact CG2-CD2 4.03Å; I81-L109 HydrophobicContact CG2-CG 4.17Å; L109-V133 WeakPolarHBondContact CA-O 3.45Å; L109-V133 HydrophobicContact CD1-CB 3.99Å; L109-V133 HydrophobicContact CD1-CG1 3.71Å; L109-Y135 HydrophobicContact CD1-CD1 3.79Å; L109-Y135 HydrophobicContact CD1-CE1 4.48Å; L109-Y135 HydrophobicContact CG-CD1 4.1Å; L109-Y135 HydrophobicContact CG-CE1 4.29Å; L109-I157 HydrophobicContact CD1-CD1 4.21Å; L109-I165 HydrophobicContact CD2-CB 3.97Å; L109-I165 HydrophobicContact CD2-CG2 3.62Å; L109-V166 HydrophobicContact CD2-CG2 3.85Å; L109-L169 HydrophobicContact CD2-CD1 4.27Å
110V96.1Very high92Very high1 Ų155.3 Ų55.31%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-131146.8-178.1-63.80000111.1P82 F97 V132 V133 I134 Y135P82-V110 HydrophobicContact CG-CG1 4.29Å; F97-V110 HydrophobicContact CZ-CG1 4.34Å; V110-V132 HydrophobicContact CG2-CG1 4.22Å; V110-V133 PolarHBondContact N-O 3.33Å; V110-I134 HydrophobicContact CG2-CB 4.38Å; V110-I134 HydrophobicContact CG2-CD1 4.34Å; V110-I134 HydrophobicContact CG2-CG1 3.75Å; V110-I134 HydrophobicContact CG2-CG2 4.5Å; V110-I134 WeakPolarHBondContact O-CA 3.26Å; V110-Y135 WeakPolarHBondContact O-CD1 3.49Å; V110-Y135 PolarHBondContact O-N 3.4Å
111A94.4Very high92.6Very high12 Ų1253.5 Ų53.510%0.09929%0.293CS..EExtended strand (participates in β ladder)trans-76.6147.8174.900000110.9R88 Q89 K120 Y135R88-A111 PolarHBondContact O-N 3.1Å; Q89-A111 HydrophobicContact CG-CB 4.48Å; A111-K120 PolarHBondContact O-NZ 3.45Å; A111-K120 VanDerWaalsContact O-NZ 3.11Å; A111-Y135 VanDerWaalsContact CA-CE1 3.49Å; A111-Y135 HydrophobicContact CB-CE1 3.85Å; A111-Y135 HydrophobicContact CB-CE2 4.03Å; A111-Y135 VanDerWaalsContact CB-CZ 3.49Å; A111-Y135 WeakPolarHBondContact CB-OH 3.29Å
112E93.6Very high93.1Very high52 Ų5255.8 Ų55.824%0.24329%0.291CS..  trans-54.6147.6158.2-168.4-177.6-144.500110.4Y135 N136 S137E112-Y135 WeakPolarHBondContact CB-O 3.38Å; E112-Y135 PolarHBondContact N-O 3.17Å; E112-N136 PolarHBondContact OE2-OD1 3.4Å; E112-S137 VanDerWaalsContact OE2-CB 3.26Å; E112-S137 WeakPolarHBondContact OE2-CB 3.33Å; E112-S137 PolarHBondContact OE2-N 3.42Å; E112-S137 PolarHBondContact OE2-OG 2.95Å
113G88.1Confident93.7Very high27 Ų2747.6 Ų47.628%0.27825%0.254SS..  trans-169.2-169.4-17600000111.2Q89 C115 K120Q89-G113 VanDerWaalsContact OE1-CA 3.3Å; G113-C115 PolarHBondContact O-N 2.95Å; G113-C115 VanDerWaalsContact O-N 3.09Å; G113-K120 VanDerWaalsContact N-NZ 3.13Å
114N89.8Confident94.3Very high169 Ų16939.3 Ų39.390%0.90421%0.209SC*.SBendtrans-85.222.8-167.7-158.724.5000115.2
115C92.5Very high94.5Very high27 Ų2738.1 Ų38.118%0.18221%0.205CC..SBendtrans-126.5162.6176.8630000109.7C91 G113 E119 K120C91-C115 WeakPolarHBondContact CA-SG 3.27Å; C91-C115 HydrophobicContact CB-CB 3.7Å; C91-C115 WeakPolarHBondContact CB-SG 3.48Å; C91-C115 WeakPolarHBondContact SG-CB 3.46Å; C91-C115 CovalentContact SG-SG 2.04Å; C91-C115 PolarHBondContact SG-SG 3.33Å; G113-C115 PolarHBondContact O-N 2.95Å; G113-C115 VanDerWaalsContact O-N 3.09Å; C115-E119 WeakPolarHBondContact CB-OE2 3.28Å; C115-K120 VanDerWaalsContact O-CE 3.29Å; C115-K120 WeakPolarHBondContact O-CE 3.39Å; C115-K120 WeakPolarHBondContact SG-CE 3.32Å; C115-K120 WeakPolarHBondContact SG-CG 2.99Å; C115-K120 PolarHBondContact SG-NZ 3.29Å; C115-K120 VanDerWaalsContact SG-NZ 3.45Å
116T95.1Very high94.4Very high74 Ų7441.3 Ų41.345%0.45422%0.215SC..  trans-68151.2-173.664.90000111.8R118 E119 K120T116-R118 PolarHBondContact O-N 3.15Å; T116-E119 PolarHBondContact N-OE2 3.34Å; T116-E119 PolarHBondContact O-N 3.48Å; T116-E119 VanDerWaalsContact O-N 3.16Å; T116-E119 WeakPolarHBondContact OG1-CB 3.5Å; T116-E119 WeakPolarHBondContact OG1-CG 3.18Å; T116-E119 PolarHBondContact OG1-N 3.5Å; T116-E119 PolarHBondContact OG1-OE2 2.98Å; T116-K120 PolarHBondContact O-N 3.09Å
117F95.8Very high94.1Very high33 Ų3342.8 Ų42.815%0.14523%0.227CC..Hα-helixtrans-55.9-39.5173.3-60.3-62.8000111.4E119 K120 I121 I134 I142 M144 M156F117-E119 PolarHBondContact O-N 3.09Å; F117-K120 PolarHBondContact O-N 3.22Å; F117-I121 HydrophobicContact CB-CD1 4.38Å; F117-I121 WeakPolarHBondContact O-CB 3.29Å; F117-I121 WeakPolarHBondContact O-CD1 3.4Å; F117-I121 WeakPolarHBondContact O-CG1 3.28Å; F117-I121 PolarHBondContact O-N 3.05Å; F117-I134 HydrophobicContact CB-CD1 4.48Å; F117-I134 HydrophobicContact CD1-CD1 3.89Å; F117-I134 HydrophobicContact CD1-CG2 4.42Å; F117-I134 HydrophobicContact CE1-CG2 4.4Å; F117-I142 HydrophobicContact CE2-CD1 3.92Å; F117-I142 HydrophobicContact CZ-CD1 3.9Å; F117-M144 HydrophobicContact CB-CB 4.13Å; F117-M144 HydrophobicContact CB-CG 4.48Å; F117-M144 HydrophobicContact CB-SD 4.37Å; F117-M144 HydrophobicContact CD1-CB 4.43Å; F117-M144 HydrophobicContact CD1-CG 3.9Å; F117-M144 HydrophobicContact CD1-SD 3.61Å; F117-M144 HydrophobicContact CD2-CB 3.98Å; F117-M144 HydrophobicContact CD2-CG 4.07Å; F117-M144 HydrophobicContact CE1-CG 4.13Å; F117-M144 HydrophobicContact CE1-SD 4.08Å; F117-M144 HydrophobicContact CE2-CG 4.28Å; F117-M144 HydrophobicContact CG-CB 3.92Å; F117-M144 HydrophobicContact CG-CG 3.88Å; F117-M144 HydrophobicContact CG-SD 4.01Å; F117-M144 HydrophobicContact CZ-CG 4.32Å; F117-M156 HydrophobicContact CD1-CE 4.26Å; F117-M156 HydrophobicContact CE1-CE 3.38Å; F117-M156 HydrophobicContact CZ-CE 3.57Å
118R95.7Very high93.8Very high81 Ų8149.3 Ų49.331%0.30626%0.262SS..Hα-helixtrans-54-49.2175.2-177.2176.6-174.7-108.516112.6T116 R122 H146 S147 D148 T149T116-R118 PolarHBondContact O-N 3.15Å; R118-R122 VanDerWaalsContact O-CB 3.27Å; R118-R122 WeakPolarHBondContact O-CB 3.48Å; R118-R122 PolarHBondContact O-N 3.01Å; R118-H146 HydrophobicContact CB-CB 4.38Å; R118-S147 VanDerWaalsContact CD-O 3.23Å; R118-S147 WeakPolarHBondContact CD-O 3.28Å; R118-S147 PolarHBondContact NE-O 2.89Å; R118-D148 IonicContact CZ-OD2 2.81Å; R118-D148 IonicContact NE-OD2 2.95Å; R118-D148 IonicContact NH2-OD2 2.76Å; R118-D148 PolarHBondContact NH2-OD2 2.84Å; R118-T149 HydrophobicContact CB-CG2 4.39Å; R118-T149 HydrophobicContact CG-CG2 3.81Å
119E94.9Very high93.7Very high91 Ų9149.8 Ų49.843%0.42527%0.266SS..Hα-helixtrans-63.3-48.2-179.8-74.8159.3160.600111.4C115 T116 F117 I121 R122 N123C115-E119 WeakPolarHBondContact CB-OE2 3.28Å; T116-E119 PolarHBondContact N-OE2 3.34Å; T116-E119 PolarHBondContact O-N 3.48Å; T116-E119 VanDerWaalsContact O-N 3.16Å; T116-E119 WeakPolarHBondContact OG1-CB 3.5Å; T116-E119 WeakPolarHBondContact OG1-CG 3.18Å; T116-E119 PolarHBondContact OG1-N 3.5Å; T116-E119 PolarHBondContact OG1-OE2 2.98Å; F117-E119 PolarHBondContact O-N 3.09Å; E119-I121 PolarHBondContact O-N 3.29Å; E119-R122 PolarHBondContact O-N 3.46Å; E119-N123 WeakPolarHBondContact O-CB 3.29Å; E119-N123 PolarHBondContact O-N 2.87Å; E119-N123 PolarHBondContact O-ND2 3.47Å; E119-N123 PolarHBondContact O-OD1 3.03Å
120K94.3Very high93.5Very high1 Ų152 Ų520%0.00428%0.282CS..Hα-helixtrans-58.3-47.7178.5-61.8170.7-174.8-81.40111.7Q89 A111 G113 C115 T116 F117 R122 N123 A124 I134Q89-K120 WeakPolarHBondContact O-CG 3.12Å; Q89-K120 PolarHBondContact O-NZ 3.28Å; A111-K120 PolarHBondContact O-NZ 3.45Å; A111-K120 VanDerWaalsContact O-NZ 3.11Å; G113-K120 VanDerWaalsContact N-NZ 3.13Å; C115-K120 VanDerWaalsContact O-CE 3.29Å; C115-K120 WeakPolarHBondContact O-CE 3.39Å; C115-K120 WeakPolarHBondContact SG-CE 3.32Å; C115-K120 WeakPolarHBondContact SG-CG 2.99Å; C115-K120 PolarHBondContact SG-NZ 3.29Å; C115-K120 VanDerWaalsContact SG-NZ 3.45Å; T116-K120 PolarHBondContact O-N 3.09Å; F117-K120 PolarHBondContact O-N 3.22Å; K120-R122 VanDerWaalsContact C-N 3.35Å; K120-N123 PolarHBondContact O-N 2.73Å; K120-A124 WeakPolarHBondContact O-CB 3.45Å; K120-A124 PolarHBondContact O-N 3.31Å; K120-I134 HydrophobicContact CB-CD1 4.2Å; K120-I134 HydrophobicContact CD-CD1 4.18Å
121I96.4Very high93.6Very high0 Ų052 Ų520%028%0.282CS..Hα-helixtrans-62.7-44.3179.7-67.1163.2000110F117 E119 A124 A125 V132 I134 H146 T149 I152 A154F117-I121 HydrophobicContact CB-CD1 4.38Å; F117-I121 WeakPolarHBondContact O-CB 3.29Å; F117-I121 WeakPolarHBondContact O-CD1 3.4Å; F117-I121 WeakPolarHBondContact O-CG1 3.28Å; F117-I121 PolarHBondContact O-N 3.05Å; E119-I121 PolarHBondContact O-N 3.29Å; I121-A124 PolarHBondContact O-N 3.48Å; I121-A125 VanDerWaalsContact O-CB 3.24Å; I121-A125 WeakPolarHBondContact O-CB 3.44Å; I121-A125 PolarHBondContact O-N 3.05Å; I121-V132 HydrophobicContact CG1-CB 4.43Å; I121-V132 HydrophobicContact CG1-CG1 4.22Å; I121-V132 HydrophobicContact CG2-CG2 4.32Å; I121-I134 HydrophobicContact CD1-CD1 4.38Å; I121-I134 HydrophobicContact CG1-CD1 4.01Å; I121-H146 HydrophobicContact CD1-CB 3.57Å; I121-H146 VanDerWaalsContact CD1-CG 3.47Å; I121-T149 HydrophobicContact CB-CG2 4.06Å; I121-T149 HydrophobicContact CG2-CG2 3.86Å; I121-I152 HydrophobicContact CG2-CG2 3.51Å; I121-A154 HydrophobicContact CD1-CB 3.57Å; I121-A154 HydrophobicContact CG1-CB 3.97Å; I121-A154 HydrophobicContact CG2-CB 4.24Å
122R95.4Very high93.7Very high124 Ų12451.4 Ų51.447%0.46828%0.277SS..Hα-helixtrans-64.2-43.5178.6-172.2176.5-174.91661.1112.4R118 E119 K120 A124 A125 N126R118-R122 VanDerWaalsContact O-CB 3.27Å; R118-R122 WeakPolarHBondContact O-CB 3.48Å; R118-R122 PolarHBondContact O-N 3.01Å; E119-R122 PolarHBondContact O-N 3.46Å; K120-R122 VanDerWaalsContact C-N 3.35Å; R122-A124 PolarHBondContact O-N 2.98Å; R122-A125 PolarHBondContact O-N 3.5Å; R122-N126 WeakPolarHBondContact O-CB 3.37Å; R122-N126 PolarHBondContact O-N 3.39Å; R122-N126 PolarHBondContact O-ND2 3.46Å; R122-N126 PolarHBondContact O-OD1 2.84Å
123N93.3Very high94Very high15 Ų1549 Ų498%0.0827%0.266CS..Hα-helixtrans-63.1-42.6179.2-67.2-14.7000111.5G90 C91 D92 V95 E119 K120 S127G90-N123 PolarHBondContact O-ND2 2.99Å; C91-N123 PolarHBondContact O-ND2 3.05Å; D92-N123 PolarHBondContact O-ND2 3.41Å; V95-N123 HydrophobicContact CG1-CB 3.98Å; E119-N123 WeakPolarHBondContact O-CB 3.29Å; E119-N123 PolarHBondContact O-N 2.87Å; E119-N123 PolarHBondContact O-ND2 3.47Å; E119-N123 PolarHBondContact O-OD1 3.03Å; K120-N123 PolarHBondContact O-N 2.73Å; N123-S127 PolarHBondContact O-N 2.85Å; N123-S127 PolarHBondContact O-OG 3.07Å
124A93.4Very high94.4Very high1 Ų147.7 Ų47.71%0.00825%0.252CS..Hα-helixtrans-67.9-40.6174.300000112.4F97 A108 K120 I121 R122 N126 S127 A129 V132F97-A124 HydrophobicContact CE2-CB 4.49Å; F97-A124 HydrophobicContact CZ-CB 4.26Å; A108-A124 HydrophobicContact CB-CB 3.7Å; K120-A124 WeakPolarHBondContact O-CB 3.45Å; K120-A124 PolarHBondContact O-N 3.31Å; I121-A124 PolarHBondContact O-N 3.48Å; R122-A124 PolarHBondContact O-N 2.98Å; A124-N126 VanDerWaalsContact C-N 3.34Å; A124-N126 PolarHBondContact O-N 3.29Å; A124-S127 WeakPolarHBondContact O-CB 3.36Å; A124-S127 PolarHBondContact O-N 2.89Å; A124-A129 WeakPolarHBondContact O-CB 3.38Å; A124-A129 PolarHBondContact O-N 3.38Å; A124-V132 HydrophobicContact CB-CG1 4.14Å; A124-V132 HydrophobicContact CB-CG2 3.61Å
125A93.4Very high94.7Very high27 Ų2740.9 Ų40.922%0.22321%0.214CC..Hα-helixtrans-61.2-41175.800000112.1I121 R122 S127 N128 I152I121-A125 VanDerWaalsContact O-CB 3.24Å; I121-A125 WeakPolarHBondContact O-CB 3.44Å; I121-A125 PolarHBondContact O-N 3.05Å; R122-A125 PolarHBondContact O-N 3.5Å; A125-S127 PolarHBondContact O-N 3.11Å; A125-N128 WeakPolarHBondContact O-CA 3.36Å; A125-N128 PolarHBondContact O-N 3.37Å; A125-I152 HydrophobicContact CB-CB 4.48Å; A125-I152 HydrophobicContact CB-CD1 3.58Å; A125-I152 HydrophobicContact CB-CG2 4.26Å
126N92Very high94.6Very high118 Ų11840.1 Ų40.163%0.63121%0.208SC*.Hα-helixtrans-61.9-22.6175.5-70.1-15.3000112.8R122 A124 N128R122-N126 WeakPolarHBondContact O-CB 3.37Å; R122-N126 PolarHBondContact O-N 3.39Å; R122-N126 PolarHBondContact O-ND2 3.46Å; R122-N126 PolarHBondContact O-OD1 2.84Å; A124-N126 VanDerWaalsContact C-N 3.34Å; A124-N126 PolarHBondContact O-N 3.29Å; N126-N128 PolarHBondContact O-N 2.93Å
127S89.9Confident94.1Very high45 Ų4540.7 Ų40.732%0.31522%0.216SC..THydrogen-bonded Turntrans-83.46.7173.8-58.70000113W106 N123 A124 A125W106-S127 VanDerWaalsContact CZ2-O 3.29Å; W106-S127 WeakPolarHBondContact CZ2-O 3.29Å; N123-S127 PolarHBondContact O-N 2.85Å; N123-S127 PolarHBondContact O-OG 3.07Å; A124-S127 WeakPolarHBondContact O-CB 3.36Å; A124-S127 PolarHBondContact O-N 2.89Å; A125-S127 PolarHBondContact O-N 3.11Å
128N91.9Very high93.5Very high136 Ų13641.5 Ų41.573%0.72723%0.228SC*.THydrogen-bonded Turntrans66.836.4-178.3-156.129000113.6W106 A125 N126W106-N128 PolarHBondContact NE1-O 3.39Å; A125-N128 WeakPolarHBondContact O-CA 3.36Å; A125-N128 PolarHBondContact O-N 3.37Å; N126-N128 PolarHBondContact O-N 2.93Å
129A93.7Very high93.1Very high10 Ų1043.1 Ų43.18%0.08324%0.243CC..  trans-70.8141.1171.600000110.9W106 A108 A124 I152W106-A129 HydrophobicContact CD2-CB 4.25Å; W106-A129 HydrophobicContact CE3-CB 4.25Å; W106-A129 HydrophobicContact CH2-CB 3.71Å; W106-A129 HydrophobicContact CZ2-CB 3.65Å; W106-A129 HydrophobicContact CZ3-CB 4.02Å; A108-A129 HydrophobicContact CB-CB 4.15Å; A124-A129 WeakPolarHBondContact O-CB 3.38Å; A124-A129 PolarHBondContact O-N 3.38Å; A129-I152 HydrophobicContact CB-CD1 4.26Å; A129-I152 VanDerWaalsContact O-CD1 3.31Å; A129-I152 WeakPolarHBondContact O-CD1 3.24Å
130S94.3Very high92.8Very high49 Ų4945 Ų4534%0.34326%0.256SS..SBendtrans-79.7-26.5176-51.80000112.6A105 W106A105-S130 WeakPolarHBondContact CB-OG 3.27Å; W106-S130 PolarHBondContact N-OG 3.21Å; W106-S130 WeakPolarHBondContact O-CB 3.27Å; W106-S130 PolarHBondContact O-N 2.88Å
131A97.5Very high92.7Very high0 Ų046 Ų460%026%0.262CS..EExtended strand (participates in β ladder)trans-154.6160.3172.100000110.9A75 V107 A108 V153 I179A75-A131 HydrophobicContact CB-CB 3.69Å; V107-A131 WeakPolarHBondContact CA-O 3.21Å; V107-A131 HydrophobicContact CG1-CB 4.16Å; V107-A131 HydrophobicContact CG2-CB 4.22Å; A108-A131 PolarHBondContact N-O 3.49Å; A131-V153 CarbonylContact C-O 3.5Å; A131-V153 WeakPolarHBondContact CA-O 3.32Å; A131-V153 HydrophobicContact CB-CB 4.03Å; A131-V153 HydrophobicContact CB-CG1 4.36Å; A131-V153 VanDerWaalsContact CB-O 3.3Å; A131-V153 WeakPolarHBondContact CB-O 3.38Å; A131-I179 HydrophobicContact CB-CD1 3.82Å
132V97.6Very high92.5Very high0 Ų049.7 Ų49.70%028%0.281CS..EExtended strand (participates in β ladder)trans-121.6129176.3-172.40000109.3V110 I121 A124 I134 I152 V153 A154 I155V110-V132 HydrophobicContact CG2-CG1 4.22Å; I121-V132 HydrophobicContact CG1-CB 4.43Å; I121-V132 HydrophobicContact CG1-CG1 4.22Å; I121-V132 HydrophobicContact CG2-CG2 4.32Å; A124-V132 HydrophobicContact CB-CG1 4.14Å; A124-V132 HydrophobicContact CB-CG2 3.61Å; V132-I134 HydrophobicContact CG1-CG1 4.18Å; V132-I152 HydrophobicContact CG2-CD1 3.55Å; V132-I152 HydrophobicContact CG2-CG1 4.17Å; V132-V153 PolarHBondContact N-O 2.89Å; V132-A154 VanDerWaalsContact O-CA 3.32Å; V132-A154 WeakPolarHBondContact O-CA 3.43Å; V132-I155 PolarHBondContact O-N 2.89Å
133V98.1Very high92.5Very high0 Ų045 Ų450%027%0.266CS..EExtended strand (participates in β ladder)trans-118.6117.2178.4-178.70000107.7V107 A108 L109 V110 I155 I157 M177 I179V107-V133 HydrophobicContact CG1-CB 4.4Å; V107-V133 HydrophobicContact CG1-CG2 3.46Å; V107-V133 VanDerWaalsContact CG1-CG2 3.46Å; A108-V133 PolarHBondContact O-N 2.84Å; L109-V133 WeakPolarHBondContact CA-O 3.45Å; L109-V133 HydrophobicContact CD1-CB 3.99Å; L109-V133 HydrophobicContact CD1-CG1 3.71Å; V110-V133 PolarHBondContact N-O 3.33Å; V133-I155 WeakPolarHBondContact CA-O 3.39Å; V133-I155 HydrophobicContact CB-CG1 4.35Å; V133-I155 HydrophobicContact CG1-CD1 4.46Å; V133-I155 HydrophobicContact CG1-CG1 4.23Å; V133-I155 HydrophobicContact CG2-CD1 4.06Å; V133-I155 HydrophobicContact CG2-CG1 3.8Å; V133-I157 HydrophobicContact CG1-CB 4.46Å; V133-I157 HydrophobicContact CG1-CD1 3.62Å; V133-I157 HydrophobicContact CG1-CG1 3.77Å; V133-I157 HydrophobicContact CG1-CG2 3.9Å; V133-M177 HydrophobicContact CG2-CE 4.45Å; V133-M177 HydrophobicContact CG2-SD 3.68Å; V133-I179 HydrophobicContact CG2-CD1 3.83Å
134I97.4Very high92.5Very high0 Ų044.3 Ų44.30%026%0.262CS..EExtended strand (participates in β ladder)trans-104.1120.2177.1-50.8-167.1000107.4V110 F117 K120 I121 V132 M144 I155 M156 I157V110-I134 HydrophobicContact CG2-CB 4.38Å; V110-I134 HydrophobicContact CG2-CD1 4.34Å; V110-I134 HydrophobicContact CG2-CG1 3.75Å; V110-I134 HydrophobicContact CG2-CG2 4.5Å; V110-I134 WeakPolarHBondContact O-CA 3.26Å; F117-I134 HydrophobicContact CB-CD1 4.48Å; F117-I134 HydrophobicContact CD1-CD1 3.89Å; F117-I134 HydrophobicContact CD1-CG2 4.42Å; F117-I134 HydrophobicContact CE1-CG2 4.4Å; K120-I134 HydrophobicContact CB-CD1 4.2Å; K120-I134 HydrophobicContact CD-CD1 4.18Å; I121-I134 HydrophobicContact CD1-CD1 4.38Å; I121-I134 HydrophobicContact CG1-CD1 4.01Å; V132-I134 HydrophobicContact CG1-CG1 4.18Å; I134-M144 HydrophobicContact CB-SD 3.95Å; I134-M144 HydrophobicContact CD1-CE 4.47Å; I134-M144 HydrophobicContact CD1-SD 3.73Å; I134-M144 HydrophobicContact CG1-CE 4.49Å; I134-M144 HydrophobicContact CG1-SD 4.04Å; I134-I155 PolarHBondContact N-O 2.94Å; I134-M156 CarbonylContact O-C 3.6Å; I134-M156 WeakPolarHBondContact O-CA 3.38Å; I134-M156 WeakPolarHBondContact O-CG 3.41Å; I134-I157 PolarHBondContact O-N 3.35Å
135Y95.9Very high92.5Very high26 Ų2647.8 Ų47.810%0.10229%0.285CS..EExtended strand (participates in β ladder)trans-93.2127.5172.766.4-86.5000110.3L109 V110 A111 E112 I157 V166L109-Y135 HydrophobicContact CD1-CD1 3.79Å; L109-Y135 HydrophobicContact CD1-CE1 4.48Å; L109-Y135 HydrophobicContact CG-CD1 4.1Å; L109-Y135 HydrophobicContact CG-CE1 4.29Å; V110-Y135 WeakPolarHBondContact O-CD1 3.49Å; V110-Y135 PolarHBondContact O-N 3.4Å; A111-Y135 VanDerWaalsContact CA-CE1 3.49Å; A111-Y135 HydrophobicContact CB-CE1 3.85Å; A111-Y135 HydrophobicContact CB-CE2 4.03Å; A111-Y135 VanDerWaalsContact CB-CZ 3.49Å; A111-Y135 WeakPolarHBondContact CB-OH 3.29Å; E112-Y135 WeakPolarHBondContact CB-O 3.38Å; E112-Y135 PolarHBondContact N-O 3.17Å; Y135-I157 CarbonylContact C-O 3.48Å; Y135-I157 VanDerWaalsContact CA-O 3.31Å; Y135-I157 WeakPolarHBondContact CA-O 3.23Å; Y135-V166 HydrophobicContact CE1-CG2 4.11Å
136N91.4Very high92.6Very high11 Ų1146.6 Ų46.66%0.05928%0.275CS..  trans-67.2155.9-179.1-165-14.9000110E112 A138 D140 M156 I157 E159E112-N136 PolarHBondContact OE2-OD1 3.4Å; N136-A138 VanDerWaalsContact C-N 3.31Å; N136-A138 PolarHBondContact OD1-N 3.49Å; N136-D140 PolarHBondContact ND2-O 3.49Å; N136-M156 HydrophobicContact CB-CG 4.25Å; N136-M156 HydrophobicContact CB-SD 3.97Å; N136-I157 PolarHBondContact N-O 3.42Å; N136-E159 WeakPolarHBondContact O-CA 3.4Å; N136-E159 WeakPolarHBondContact O-CB 3.28Å; N136-E159 WeakPolarHBondContact O-CG 3.47Å; N136-E159 PolarHBondContact O-N 3.38Å
137S83.6Confident92.7Very high87 Ų8743.4 Ų43.461%0.60826%0.262SS*.SBendtrans-78.1-19.2165.9-43.30000112.1E112E112-S137 VanDerWaalsContact OE2-CB 3.26Å; E112-S137 WeakPolarHBondContact OE2-CB 3.33Å; E112-S137 PolarHBondContact OE2-N 3.42Å; E112-S137 PolarHBondContact OE2-OG 2.95Å
138A83.6Confident92.7Very high49 Ų4947 Ų4741%0.40528%0.277SS..SBendtrans-97166.6174.100000112.7N136 E159N136-A138 VanDerWaalsContact C-N 3.31Å; N136-A138 PolarHBondContact OD1-N 3.49Å; A138-E159 PolarHBondContact O-N 2.96Å
139N86.9Confident92.7Very high116 Ų11641.2 Ų41.262%0.6225%0.247SC*.SBendtrans-73.2-29.3176.7-76.9-10000113.1P158N139-P158 WeakPolarHBondContact O-CB 3.35Å
140D88.8Confident92.5Very high129 Ų12943.1 Ų43.169%0.6927%0.268SS*.SBendtrans-87.2149.9-177.7-64.7-33.2000111.3N136N136-D140 PolarHBondContact ND2-O 3.49Å
141T92.8Very high92.4Very high23 Ų2347 Ų4714%0.14129%0.285CS..  trans-99.4142.2173.854.30000111R65 M156 P158R65-T141 PolarHBondContact NE-O 3.12Å; R65-T141 PolarHBondContact NE-OG1 3.37Å; R65-T141 PolarHBondContact NH1-O 2.88Å; R65-T141 PolarHBondContact NH2-O 3.04Å; T141-M156 HydrophobicContact CG2-CG 4.22Å; T141-P158 HydrophobicContact CG2-CG 3.96Å
142I92.6Very high92.3Very high77 Ų7747.6 Ų47.640%0.39529%0.288SS..  trans-113.8154.4176.162.8163000111.3F117 M144 M156F117-I142 HydrophobicContact CE2-CD1 3.92Å; F117-I142 HydrophobicContact CZ-CD1 3.9Å; I142-M144 PolarHBondContact O-N 2.83Å; I142-M156 HydrophobicContact CB-SD 4.39Å; I142-M156 HydrophobicContact CD1-CE 4.3Å; I142-M156 HydrophobicContact CG1-CE 3.68Å; I142-M156 HydrophobicContact CG1-SD 3.5Å; I142-M156 VanDerWaalsContact CG1-SD 3.5Å; I142-M156 PolarHBondContact N-SD 3.43Å; I142-M156 VanDerWaalsContact N-SD 3.35Å
143T93.5Very high92.3Very high26 Ų2647.7 Ų47.716%0.1629%0.288CS..  trans-75.4106.4174.5-48.10000107.8W39 E68 P145W39-T143 HydrophobicContact CB-CG2 4.45Å; E68-T143 HydrophobicContact CB-CG2 3.97Å; T143-P145 VanDerWaalsContact O-CD 3.32Å; T143-P145 WeakPolarHBondContact O-CD 3.44Å
144M94.3Very high92.3Very high0 Ų047.7 Ų47.70%029%0.288CS..  trans-72.3125.3-175.6-61.7179.3-62.700110.9G67 E68 F117 I134 I142 H146 A154 M156G67-M144 WeakPolarHBondContact CA-O 3.32Å; E68-M144 WeakPolarHBondContact CB-O 3.47Å; E68-M144 PolarHBondContact N-O 3.08Å; F117-M144 HydrophobicContact CB-CB 4.13Å; F117-M144 HydrophobicContact CB-CG 4.48Å; F117-M144 HydrophobicContact CB-SD 4.37Å; F117-M144 HydrophobicContact CD1-CB 4.43Å; F117-M144 HydrophobicContact CD1-CG 3.9Å; F117-M144 HydrophobicContact CD1-SD 3.61Å; F117-M144 HydrophobicContact CD2-CB 3.98Å; F117-M144 HydrophobicContact CD2-CG 4.07Å; F117-M144 HydrophobicContact CE1-CG 4.13Å; F117-M144 HydrophobicContact CE1-SD 4.08Å; F117-M144 HydrophobicContact CE2-CG 4.28Å; F117-M144 HydrophobicContact CG-CB 3.92Å; F117-M144 HydrophobicContact CG-CG 3.88Å; F117-M144 HydrophobicContact CG-SD 4.01Å; F117-M144 HydrophobicContact CZ-CG 4.32Å; I134-M144 HydrophobicContact CB-SD 3.95Å; I134-M144 HydrophobicContact CD1-CE 4.47Å; I134-M144 HydrophobicContact CD1-SD 3.73Å; I134-M144 HydrophobicContact CG1-CE 4.49Å; I134-M144 HydrophobicContact CG1-SD 4.04Å; I142-M144 PolarHBondContact O-N 2.83Å; M144-H146 PolarHBondContact O-CD2 2.85Å; M144-A154 HydrophobicContact CE-CB 4.33Å; M144-M156 HydrophobicContact CE-CB 4.02Å; M144-M156 HydrophobicContact CG-CB 4.15Å; M144-M156 HydrophobicContact CG-CE 3.61Å; M144-M156 HydrophobicContact CG-SD 4.44Å; M144-M156 HydrophobicContact SD-CB 3.87Å; M144-M156 HydrophobicContact SD-CE 3.76Å
145P94.1Very high92.3Very high74 Ų7447.7 Ų47.748%0.48129%0.288SS..  trans-78.3125.6167.830.3-33.3000109.9T143T143-P145 VanDerWaalsContact O-CD 3.32Å; T143-P145 WeakPolarHBondContact O-CD 3.44Å
146H94.8Very high92.4Very high2 Ų246.5 Ų46.51%0.00928%0.284CS..  trans-154.357.1-17864.588.9000113G67 S70 R118 I121 M144 T149G67-H146 VanDerWaalsContact CA-NE2 3.31Å; G67-H146 WeakPolarHBondContact CA-NE2 3.33Å; S70-H146 VanDerWaalsContact CA-CE1 3.49Å; S70-H146 WeakPolarHBondContact CA-CE1 3.23Å; S70-H146 PolarHBondContact N-CE1 2.79Å; S70-H146 PolarHBondContact N-NE2 3.43Å; R118-H146 HydrophobicContact CB-CB 4.38Å; I121-H146 HydrophobicContact CD1-CB 3.57Å; I121-H146 VanDerWaalsContact CD1-CG 3.47Å; M144-H146 PolarHBondContact O-CD2 2.85Å; H146-T149 HydrophobicContact CB-CG2 4.07Å; H146-T149 PolarHBondContact ND1-OG1 2.85Å; H146-T149 WeakPolarHBondContact O-CG2 3.48Å; H146-T149 PolarHBondContact O-OG1 3.28Å
147S93.8Very high92.7Very high51 Ų5146 Ų4636%0.35728%0.281SS..THydrogen-bonded Turntrans-55.4152.5175.155.70000112.5R118 T149R118-S147 VanDerWaalsContact CD-O 3.23Å; R118-S147 WeakPolarHBondContact CD-O 3.28Å; R118-S147 PolarHBondContact NE-O 2.89Å; S147-T149 VanDerWaalsContact C-N 3.3Å; S147-T149 PolarHBondContact O-N 3.3Å
148D91.1Very high93.3Very high120 Ų12042.9 Ų42.964%0.64226%0.259SS*.THydrogen-bonded Turntrans58.129.9176.4-35.9-45.3000116.2R118R118-D148 IonicContact CZ-OD2 2.81Å; R118-D148 IonicContact NE-OD2 2.95Å; R118-D148 IonicContact NH2-OD2 2.76Å; R118-D148 PolarHBondContact NH2-OD2 2.84Å
149T90.8Very high93.8Very high16 Ų1642.8 Ų42.810%0.09825%0.25CC..  trans-94.12.9175.746.50000113.6R118 I121 H146 S147R118-T149 HydrophobicContact CB-CG2 4.39Å; R118-T149 HydrophobicContact CG-CG2 3.81Å; I121-T149 HydrophobicContact CB-CG2 4.06Å; I121-T149 HydrophobicContact CG2-CG2 3.86Å; H146-T149 HydrophobicContact CB-CG2 4.07Å; H146-T149 PolarHBondContact ND1-OG1 2.85Å; H146-T149 WeakPolarHBondContact O-CG2 3.48Å; H146-T149 PolarHBondContact O-OG1 3.28Å; S147-T149 VanDerWaalsContact C-N 3.3Å; S147-T149 PolarHBondContact O-N 3.3Å
150G88.8Confident94.2Very high50 Ų5040.4 Ų40.452%0.51524%0.241SC..  trans73.7-163.5-17900000113.2I152G150-I152 PolarHBondContact O-N 3.48Å; G150-I152 VanDerWaalsContact O-N 3.08Å
151D92.5Very high94.6Very high131 Ų13135 Ų3570%0.70121%0.211SC*.SBendtrans-85.544.9-175.3-71.7-39.1000113P71 R73P71-D151 HydrophobicContact CG-CB 4.48Å; R73-D151 PolarHBondContact NH2-O 3.45Å
152I95.6Very high94.7Very high12 Ų1233.9 Ų33.96%0.06220%0.204CC..  trans-100.4133.3176.1-168162.3000111.3P71 I121 A125 A129 V132 G150 A154P71-I152 WeakPolarHBondContact CD-O 3.33Å; I121-I152 HydrophobicContact CG2-CG2 3.51Å; A125-I152 HydrophobicContact CB-CB 4.48Å; A125-I152 HydrophobicContact CB-CD1 3.58Å; A125-I152 HydrophobicContact CB-CG2 4.26Å; A129-I152 HydrophobicContact CB-CD1 4.26Å; A129-I152 VanDerWaalsContact O-CD1 3.31Å; A129-I152 WeakPolarHBondContact O-CD1 3.24Å; V132-I152 HydrophobicContact CG2-CD1 3.55Å; V132-I152 HydrophobicContact CG2-CG1 4.17Å; G150-I152 PolarHBondContact O-N 3.48Å; G150-I152 VanDerWaalsContact O-N 3.08Å; I152-A154 PolarHBondContact O-N 3.48Å
153V97.9Very high94.8Very high2 Ų236 Ų361%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-71.6112.9175.1175.50000108.7Y66 R73 A75 A131 V132 I155 I179Y66-V153 HydrophobicContact CD1-CG1 4.44Å; Y66-V153 HydrophobicContact CE1-CG1 3.79Å; R73-V153 HydrophobicContact CG-CG2 3.84Å; A75-V153 HydrophobicContact CB-CB 3.99Å; A75-V153 HydrophobicContact CB-CG1 4.17Å; A75-V153 HydrophobicContact CB-CG2 4.07Å; A131-V153 CarbonylContact C-O 3.5Å; A131-V153 WeakPolarHBondContact CA-O 3.32Å; A131-V153 HydrophobicContact CB-CB 4.03Å; A131-V153 HydrophobicContact CB-CG1 4.36Å; A131-V153 VanDerWaalsContact CB-O 3.3Å; A131-V153 WeakPolarHBondContact CB-O 3.38Å; V132-V153 PolarHBondContact N-O 2.89Å; V153-I155 HydrophobicContact CG1-CG2 4.34Å; V153-I179 HydrophobicContact CG1-CG2 4.47Å
154A98Very high94.8Very high0 Ų037.8 Ų37.80%021%0.214CC..EExtended strand (participates in β ladder)trans-113.3128.417400000111.1G67 S70 I121 V132 M144 I152G67-A154 PolarHBondContact N-O 3.33Å; S70-A154 VanDerWaalsContact CB-O 3.28Å; S70-A154 WeakPolarHBondContact CB-O 3.45Å; S70-A154 PolarHBondContact OG-N 3.42Å; S70-A154 PolarHBondContact OG-O 2.92Å; I121-A154 HydrophobicContact CD1-CB 3.57Å; I121-A154 HydrophobicContact CG1-CB 3.97Å; I121-A154 HydrophobicContact CG2-CB 4.24Å; V132-A154 VanDerWaalsContact O-CA 3.32Å; V132-A154 WeakPolarHBondContact O-CA 3.43Å; M144-A154 HydrophobicContact CE-CB 4.33Å; I152-A154 PolarHBondContact O-N 3.48Å
155I98Very high94.9Very high0 Ų037.8 Ų37.80%021%0.214CC..EExtended strand (participates in β ladder)trans-131.9151.7174.767.2166.1000111.1A42 V44 R65 Y66 V132 V133 I134 V153 I157 I179A42-I155 HydrophobicContact CB-CB 4.48Å; A42-I155 HydrophobicContact CB-CD1 4.21Å; A42-I155 HydrophobicContact CB-CG2 3.94Å; V44-I155 HydrophobicContact CG2-CD1 3.78Å; R65-I155 CarbonylContact O-C 3.41Å; R65-I155 VanDerWaalsContact O-CA 3.26Å; R65-I155 WeakPolarHBondContact O-CA 3.38Å; Y66-I155 HydrophobicContact CD1-CG2 3.88Å; Y66-I155 HydrophobicContact CD2-CG2 4.28Å; Y66-I155 HydrophobicContact CE1-CG2 4Å; Y66-I155 HydrophobicContact CE2-CG2 4.37Å; Y66-I155 HydrophobicContact CG-CG2 4.01Å; V132-I155 PolarHBondContact O-N 2.89Å; V133-I155 WeakPolarHBondContact CA-O 3.39Å; V133-I155 HydrophobicContact CB-CG1 4.35Å; V133-I155 HydrophobicContact CG1-CD1 4.46Å; V133-I155 HydrophobicContact CG1-CG1 4.23Å; V133-I155 HydrophobicContact CG2-CD1 4.06Å; V133-I155 HydrophobicContact CG2-CG1 3.8Å; I134-I155 PolarHBondContact N-O 2.94Å; V153-I155 HydrophobicContact CG1-CG2 4.34Å; I155-I157 HydrophobicContact CD1-CG2 4.09Å; I155-I179 HydrophobicContact CD1-CD1 3.81Å; I155-I179 HydrophobicContact CD1-CG1 3.92Å; I155-I179 HydrophobicContact CD1-CG2 3.93Å; I155-I179 HydrophobicContact CG1-CD1 4.16Å; I155-I179 HydrophobicContact CG2-CG2 4.09Å
156M97.6Very high95Very high0 Ų034.5 Ų34.50%019%0.192CC..EExtended strand (participates in β ladder)trans-102.5140.9168.3-174.8175.5-8800110.2G64 R65 F117 I134 N136 T141 I142 M144G64-M156 CarbonylContact C-O 3.52Å; G64-M156 WeakPolarHBondContact CA-O 3.42Å; R65-M156 PolarHBondContact N-O 3.41Å; R65-M156 PolarHBondContact O-N 3.21Å; F117-M156 HydrophobicContact CD1-CE 4.26Å; F117-M156 HydrophobicContact CE1-CE 3.38Å; F117-M156 HydrophobicContact CZ-CE 3.57Å; I134-M156 CarbonylContact O-C 3.6Å; I134-M156 WeakPolarHBondContact O-CA 3.38Å; I134-M156 WeakPolarHBondContact O-CG 3.41Å; N136-M156 HydrophobicContact CB-CG 4.25Å; N136-M156 HydrophobicContact CB-SD 3.97Å; T141-M156 HydrophobicContact CG2-CG 4.22Å; I142-M156 HydrophobicContact CB-SD 4.39Å; I142-M156 HydrophobicContact CD1-CE 4.3Å; I142-M156 HydrophobicContact CG1-CE 3.68Å; I142-M156 HydrophobicContact CG1-SD 3.5Å; I142-M156 VanDerWaalsContact CG1-SD 3.5Å; I142-M156 PolarHBondContact N-SD 3.43Å; I142-M156 VanDerWaalsContact N-SD 3.35Å; M144-M156 HydrophobicContact CE-CB 4.02Å; M144-M156 HydrophobicContact CG-CB 4.15Å; M144-M156 HydrophobicContact CG-CE 3.61Å; M144-M156 HydrophobicContact CG-SD 4.44Å; M144-M156 HydrophobicContact SD-CB 3.87Å; M144-M156 HydrophobicContact SD-CE 3.76Å
157I97.4Very high95Very high0 Ų037.8 Ų37.80%021%0.21CC..EExtended strand (participates in β ladder)trans-125.2158.7172.664.3172.3000110.9V44 L109 V133 I134 Y135 N136 I155 K161 I165V44-I157 HydrophobicContact CG2-CG2 3.83Å; L109-I157 HydrophobicContact CD1-CD1 4.21Å; V133-I157 HydrophobicContact CG1-CB 4.46Å; V133-I157 HydrophobicContact CG1-CD1 3.62Å; V133-I157 HydrophobicContact CG1-CG1 3.77Å; V133-I157 HydrophobicContact CG1-CG2 3.9Å; I134-I157 PolarHBondContact O-N 3.35Å; Y135-I157 CarbonylContact C-O 3.48Å; Y135-I157 VanDerWaalsContact CA-O 3.31Å; Y135-I157 WeakPolarHBondContact CA-O 3.23Å; N136-I157 PolarHBondContact N-O 3.42Å; I155-I157 HydrophobicContact CD1-CG2 4.09Å; I157-K161 HydrophobicContact CD1-CG 4.49Å; I157-I165 HydrophobicContact CD1-CD1 4.12Å
158P96.8Very high95Very high22 Ų2236.2 Ų36.214%0.14320%0.197CC..  trans-62152.1174.9-26.436.8000113.3C63 N139 T141 P160 K161 G162C63-P158 HydrophobicContact CB-CG 4.21Å; C63-P158 VanDerWaalsContact O-CD 3.29Å; C63-P158 WeakPolarHBondContact O-CD 3.5Å; N139-P158 WeakPolarHBondContact O-CB 3.35Å; T141-P158 HydrophobicContact CG2-CG 3.96Å; P158-P160 VanDerWaalsContact C-CD 3.48Å; P158-K161 PolarHBondContact O-N 2.85Å; P158-G162 PolarHBondContact O-N 2.87Å
159E94.6Very high95.2Very high47 Ų4731.9 Ų31.922%0.2217%0.174CC..Hα-helixtrans-50.3-49175.2-160.6-91.5178.800113N136 A138 K161 G162 R163N136-E159 WeakPolarHBondContact O-CA 3.4Å; N136-E159 WeakPolarHBondContact O-CB 3.28Å; N136-E159 WeakPolarHBondContact O-CG 3.47Å; N136-E159 PolarHBondContact O-N 3.38Å; A138-E159 PolarHBondContact O-N 2.96Å; E159-K161 VanDerWaalsContact C-N 3.28Å; E159-K161 PolarHBondContact O-N 3.44Å; E159-G162 PolarHBondContact O-N 3.27Å; E159-G162 VanDerWaalsContact O-N 3.11Å; E159-R163 HydrophobicContact CG-CG 4.23Å; E159-R163 WeakPolarHBondContact O-CG 3.23Å; E159-R163 PolarHBondContact O-N 2.85Å; E159-R163 WeakPolarHBondContact OE1-CD 3.46Å; E159-R163 WeakPolarHBondContact OE1-CG 3.01Å; E159-R163 IonicContact OE1-CZ 3.93Å; E159-R163 IonicContact OE1-NE 2.99Å; E159-R163 IonicContact OE1-NH1 3.45Å; E159-R163 PolarHBondContact OE1-NH1 2.88Å
160P95.1Very high95.3Very high67 Ų6735.7 Ų35.744%0.43519%0.191SC..Hα-helixtrans-62.1-38.6-174.6-2536.3000112.1P158 E164P158-P160 VanDerWaalsContact C-CD 3.48Å; P160-E164 WeakPolarHBondContact O-CB 3.35Å; P160-E164 PolarHBondContact O-N 3.4Å
161K95.6Very high95.4Very high15 Ų1539.5 Ų39.57%0.06520%0.195CC..Hα-helixtrans-71.8-39.2178.3-16861.8179.8173.40111.7E59 I157 P158 E159 E164 I165E59-K161 IonicContact OE1-NZ 2.96Å; E59-K161 PolarHBondContact OE1-NZ 3.3Å; E59-K161 IonicContact OE2-NZ 3.14Å; E59-K161 PolarHBondContact OE2-NZ 2.91Å; I157-K161 HydrophobicContact CD1-CG 4.49Å; P158-K161 PolarHBondContact O-N 2.85Å; E159-K161 VanDerWaalsContact C-N 3.28Å; E159-K161 PolarHBondContact O-N 3.44Å; K161-E164 VanDerWaalsContact CD-OE2 3.26Å; K161-E164 WeakPolarHBondContact CD-OE2 3.5Å; K161-E164 IonicContact NZ-OE1 2.82Å; K161-E164 PolarHBondContact NZ-OE1 3.47Å; K161-E164 IonicContact NZ-OE2 3.73Å; K161-E164 PolarHBondContact NZ-OE2 3.43Å; K161-E164 PolarHBondContact O-N 2.89Å; K161-I165 HydrophobicContact CG-CD1 4.33Å; K161-I165 WeakPolarHBondContact O-CD1 3.18Å; K161-I165 VanDerWaalsContact O-CG1 3.31Å; K161-I165 WeakPolarHBondContact O-CG1 3.43Å; K161-I165 PolarHBondContact O-N 3.45Å
162G95.3Very high95.3Very high0 Ų044 Ų440%020%0.203CC..Hα-helixtrans-60.4-47.9173.900000112.3P158 E159 E164 I165 V166P158-G162 PolarHBondContact O-N 2.87Å; E159-G162 PolarHBondContact O-N 3.27Å; E159-G162 VanDerWaalsContact O-N 3.11Å; G162-E164 PolarHBondContact O-N 3.33Å; G162-I165 PolarHBondContact O-N 3.03Å; G162-V166 WeakPolarHBondContact O-CG2 3.31Å; G162-V166 PolarHBondContact O-N 3.48Å
163R94.3Very high95.2Very high122 Ų12245.3 Ų45.346%0.4621%0.208SC..Hα-helixtrans-61.9-41.5177.4-72.4-70.4-70.6-88.11113E159 I165 V166 N167E159-R163 HydrophobicContact CG-CG 4.23Å; E159-R163 WeakPolarHBondContact O-CG 3.23Å; E159-R163 PolarHBondContact O-N 2.85Å; E159-R163 WeakPolarHBondContact OE1-CD 3.46Å; E159-R163 WeakPolarHBondContact OE1-CG 3.01Å; E159-R163 IonicContact OE1-CZ 3.93Å; E159-R163 IonicContact OE1-NE 2.99Å; E159-R163 IonicContact OE1-NH1 3.45Å; E159-R163 PolarHBondContact OE1-NH1 2.88Å; R163-I165 VanDerWaalsContact C-N 3.31Å; R163-I165 PolarHBondContact O-N 2.9Å; R163-V166 PolarHBondContact O-N 3.44Å; R163-N167 WeakPolarHBondContact O-CB 3.28Å; R163-N167 PolarHBondContact O-N 2.97Å; R163-N167 PolarHBondContact O-ND2 3.36Å; R163-N167 PolarHBondContact O-OD1 3.41Å
164E95.1Very high94.9Very high63 Ų6349 Ų4929%0.29423%0.23SC..Hα-helixtrans-55.7-48.7175-172.4-158135.400110.8P160 K161 G162 N167 L168P160-E164 WeakPolarHBondContact O-CB 3.35Å; P160-E164 PolarHBondContact O-N 3.4Å; K161-E164 VanDerWaalsContact CD-OE2 3.26Å; K161-E164 WeakPolarHBondContact CD-OE2 3.5Å; K161-E164 IonicContact NZ-OE1 2.82Å; K161-E164 PolarHBondContact NZ-OE1 3.47Å; K161-E164 IonicContact NZ-OE2 3.73Å; K161-E164 PolarHBondContact NZ-OE2 3.43Å; K161-E164 PolarHBondContact O-N 2.89Å; G162-E164 PolarHBondContact O-N 3.33Å; E164-N167 PolarHBondContact O-N 3.25Å; E164-L168 WeakPolarHBondContact O-CG 3.49Å; E164-L168 PolarHBondContact O-N 2.86Å; E164-L168 VanDerWaalsContact O-N 3.1Å
165I96.2Very high94.8Very high0 Ų049.1 Ų49.10%023%0.231CC..Hα-helixtrans-66.2-41.6178.8-60.2161.8000111I46 V79 L109 I157 K161 G162 R163 N167 L168 L169 V175 M177I46-I165 HydrophobicContact CD1-CG1 4.32Å; I46-I165 HydrophobicContact CG2-CD1 4.05Å; I46-I165 HydrophobicContact CG2-CG1 4.24Å; V79-I165 HydrophobicContact CG1-CG2 4.07Å; L109-I165 HydrophobicContact CD2-CB 3.97Å; L109-I165 HydrophobicContact CD2-CG2 3.62Å; I157-I165 HydrophobicContact CD1-CD1 4.12Å; K161-I165 HydrophobicContact CG-CD1 4.33Å; K161-I165 WeakPolarHBondContact O-CD1 3.18Å; K161-I165 VanDerWaalsContact O-CG1 3.31Å; K161-I165 WeakPolarHBondContact O-CG1 3.43Å; K161-I165 PolarHBondContact O-N 3.45Å; G162-I165 PolarHBondContact O-N 3.03Å; R163-I165 VanDerWaalsContact C-N 3.31Å; R163-I165 PolarHBondContact O-N 2.9Å; I165-N167 VanDerWaalsContact C-N 3.34Å; I165-N167 PolarHBondContact O-N 3.29Å; I165-L168 WeakPolarHBondContact O-CB 3.49Å; I165-L168 PolarHBondContact O-N 2.9Å; I165-L169 HydrophobicContact CG2-CD1 4.13Å; I165-L169 HydrophobicContact CG2-CG 4.45Å; I165-L169 VanDerWaalsContact O-CG 3.3Å; I165-L169 WeakPolarHBondContact O-CG 3.24Å; I165-L169 PolarHBondContact O-N 3.46Å; I165-V175 HydrophobicContact CG2-CG1 4.42Å; I165-M177 HydrophobicContact CD1-CE 3.65Å
166V95.3Very high94.8Very high4 Ų450.7 Ų50.72%0.02424%0.24CC..Hα-helixtrans-59.8-44.9175.7171.10000111.1I81 L109 Y135 G162 R163 L168 L169 E170I81-V166 HydrophobicContact CG2-CG2 4.44Å; L109-V166 HydrophobicContact CD2-CG2 3.85Å; Y135-V166 HydrophobicContact CE1-CG2 4.11Å; G162-V166 WeakPolarHBondContact O-CG2 3.31Å; G162-V166 PolarHBondContact O-N 3.48Å; R163-V166 PolarHBondContact O-N 3.44Å; V166-L168 VanDerWaalsContact C-N 3.3Å; V166-L168 PolarHBondContact O-N 3.38Å; V166-L169 PolarHBondContact O-N 3.33Å; V166-L169 VanDerWaalsContact O-N 3.13Å; V166-E170 HydrophobicContact CG1-CG 4.24Å; V166-E170 WeakPolarHBondContact O-CG 3.5Å; V166-E170 PolarHBondContact O-N 3Å
167N95.1Very high94.8Very high71 Ų7150.7 Ų50.738%0.3824%0.24SC..Hα-helixtrans-60.3-40.9177.9-70.7-14000111.4R163 E164 I165 E170 Q171R163-N167 WeakPolarHBondContact O-CB 3.28Å; R163-N167 PolarHBondContact O-N 2.97Å; R163-N167 PolarHBondContact O-ND2 3.36Å; R163-N167 PolarHBondContact O-OD1 3.41Å; E164-N167 PolarHBondContact O-N 3.25Å; I165-N167 VanDerWaalsContact C-N 3.34Å; I165-N167 PolarHBondContact O-N 3.29Å; N167-E170 PolarHBondContact O-N 3.16Å; N167-Q171 VanDerWaalsContact O-CG 3.31Å; N167-Q171 WeakPolarHBondContact O-CG 3.24Å; N167-Q171 PolarHBondContact O-N 2.99Å
168L94.9Very high94.8Very high18 Ų1853.2 Ų53.29%0.09425%0.252CS..Hα-helixtrans-61.9-43.9175.2-67.9171.9000111.5I46 Y48 E164 I165 V166 Q171 R172 F173 V175I46-L168 HydrophobicContact CD1-CD1 4.39Å; Y48-L168 HydrophobicContact CD1-CD1 3.89Å; Y48-L168 HydrophobicContact CD2-CD2 4.45Å; Y48-L168 HydrophobicContact CE1-CD1 3.75Å; Y48-L168 HydrophobicContact CE1-CD2 4.48Å; Y48-L168 HydrophobicContact CE2-CD2 4.09Å; Y48-L168 HydrophobicContact CG-CD1 4.45Å; E164-L168 WeakPolarHBondContact O-CG 3.49Å; E164-L168 PolarHBondContact O-N 2.86Å; E164-L168 VanDerWaalsContact O-N 3.1Å; I165-L168 WeakPolarHBondContact O-CB 3.49Å; I165-L168 PolarHBondContact O-N 2.9Å; V166-L168 VanDerWaalsContact C-N 3.3Å; V166-L168 PolarHBondContact O-N 3.38Å; L168-Q171 PolarHBondContact O-N 3.45Å; L168-R172 PolarHBondContact O-N 3.12Å; L168-F173 HydrophobicContact CB-CB 4.3Å; L168-F173 HydrophobicContact CB-CD2 4.13Å; L168-F173 HydrophobicContact CD2-CD2 3.7Å; L168-F173 HydrophobicContact CD2-CE2 4.24Å; L168-F173 VanDerWaalsContact O-CB 3.27Å; L168-F173 WeakPolarHBondContact O-CB 3.31Å; L168-F173 VanDerWaalsContact O-CD2 3.29Å; L168-F173 WeakPolarHBondContact O-CD2 3.48Å; L168-F173 PolarHBondContact O-N 2.64Å; L168-V175 HydrophobicContact CB-CG2 3.85Å; L168-V175 HydrophobicContact CD1-CG2 4.3Å
169L94Very high94.9Very high29 Ų2952.2 Ų52.215%0.15225%0.245CC..Hα-helixtrans-66.5-39178.8-66.4171.5000112.5V79 I81 L109 I165 V166 Q171 R172 V175V79-L169 HydrophobicContact CB-CD1 4.35Å; V79-L169 HydrophobicContact CB-CD2 4.44Å; V79-L169 HydrophobicContact CG1-CD1 3.86Å; I81-L169 HydrophobicContact CG1-CD1 4.46Å; I81-L169 HydrophobicContact CG2-CD1 3.72Å; L109-L169 HydrophobicContact CD2-CD1 4.27Å; I165-L169 HydrophobicContact CG2-CD1 4.13Å; I165-L169 HydrophobicContact CG2-CG 4.45Å; I165-L169 VanDerWaalsContact O-CG 3.3Å; I165-L169 WeakPolarHBondContact O-CG 3.24Å; I165-L169 PolarHBondContact O-N 3.46Å; V166-L169 PolarHBondContact O-N 3.33Å; V166-L169 VanDerWaalsContact O-N 3.13Å; L169-Q171 VanDerWaalsContact C-N 3.31Å; L169-Q171 PolarHBondContact O-N 2.98Å; L169-R172 WeakPolarHBondContact O-CA 3.46Å; L169-R172 PolarHBondContact O-N 3.03Å; L169-V175 HydrophobicContact CD2-CB 4.1Å; L169-V175 HydrophobicContact CD2-CG2 3.95Å; L169-V175 HydrophobicContact CG-CG2 4.36Å
170E92.7Very high95Very high97 Ų9750.5 Ų50.545%0.45324%0.239SC..Hα-helixtrans-65.4-34.4176.1-73.8-178.2170.700112.3R88 V166 N167 R172R88-E170 IonicContact CZ-OE1 3.16Å; R88-E170 IonicContact NH1-OE1 2.75Å; R88-E170 PolarHBondContact NH1-OE1 3.43Å; R88-E170 IonicContact NH2-OE1 2.68Å; R88-E170 PolarHBondContact NH2-OE1 3.41Å; V166-E170 HydrophobicContact CG1-CG 4.24Å; V166-E170 WeakPolarHBondContact O-CG 3.5Å; V166-E170 PolarHBondContact O-N 3Å; N167-E170 PolarHBondContact O-N 3.16Å; E170-R172 PolarHBondContact O-N 3.29Å; E170-R172 VanDerWaalsContact O-N 3.16Å
171Q92.4Very high95.2Very high129 Ų12949.9 Ų49.960%0.60323%0.234SC*.THydrogen-bonded Turntrans-73.86.3171.2-68.7176.1-2.900113.3N167 L168 L169 F173N167-Q171 VanDerWaalsContact O-CG 3.31Å; N167-Q171 WeakPolarHBondContact O-CG 3.24Å; N167-Q171 PolarHBondContact O-N 2.99Å; L168-Q171 PolarHBondContact O-N 3.45Å; L169-Q171 VanDerWaalsContact C-N 3.31Å; L169-Q171 PolarHBondContact O-N 2.98Å; Q171-F173 VanDerWaalsContact C-N 3.32Å; Q171-F173 HydrophobicContact CB-CD2 3.81Å; Q171-F173 HydrophobicContact CB-CE2 3.62Å; Q171-F173 HydrophobicContact CB-CZ 4.36Å; Q171-F173 PolarHBondContact O-N 3.28Å; Q171-F173 VanDerWaalsContact OE1-CE2 3.28Å
172R90.3Very high95.2Very high227 Ų22750 Ų5086%0.85724%0.238SC*.THydrogen-bonded Turntrans67.224.7179.9-53.1-175173.9-156.2-1.5114.4L168 L169 E170L168-R172 PolarHBondContact O-N 3.12Å; L169-R172 WeakPolarHBondContact O-CA 3.46Å; L169-R172 PolarHBondContact O-N 3.03Å; E170-R172 PolarHBondContact O-N 3.29Å; E170-R172 VanDerWaalsContact O-N 3.16Å
173F92.6Very high95.2Very high38 Ų3853.3 Ų53.317%0.16726%0.259CS..  trans-71.3138.3168.8-64.4-53000111.7P51 L168 Q171 V175P51-F173 HydrophobicContact CB-CE1 4.09Å; P51-F173 VanDerWaalsContact CD-CZ 3.47Å; P51-F173 HydrophobicContact CG-CD1 4.47Å; P51-F173 HydrophobicContact CG-CE1 3.29Å; P51-F173 HydrophobicContact CG-CZ 3.58Å; L168-F173 HydrophobicContact CB-CB 4.3Å; L168-F173 HydrophobicContact CB-CD2 4.13Å; L168-F173 HydrophobicContact CD2-CD2 3.7Å; L168-F173 HydrophobicContact CD2-CE2 4.24Å; L168-F173 VanDerWaalsContact O-CB 3.27Å; L168-F173 WeakPolarHBondContact O-CB 3.31Å; L168-F173 VanDerWaalsContact O-CD2 3.29Å; L168-F173 WeakPolarHBondContact O-CD2 3.48Å; L168-F173 PolarHBondContact O-N 2.64Å; Q171-F173 VanDerWaalsContact C-N 3.32Å; Q171-F173 HydrophobicContact CB-CD2 3.81Å; Q171-F173 HydrophobicContact CB-CE2 3.62Å; Q171-F173 HydrophobicContact CB-CZ 4.36Å; Q171-F173 PolarHBondContact O-N 3.28Å; Q171-F173 VanDerWaalsContact OE1-CE2 3.28Å; F173-V175 HydrophobicContact CB-CG2 4.31Å; F173-V175 PolarHBondContact O-N 3.4Å
174V92.5Very high95.1Very high81 Ų8154 Ų5449%0.49126%0.262SS..  trans-84.8101169.1-177.60000107.7
175V96.1Very high94.8Very high2 Ų253.4 Ų53.41%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-94.1128.5177.4-173.40000109.5I46 V79 I165 L168 L169 F173I46-V175 HydrophobicContact CB-CG1 4.13Å; I46-V175 HydrophobicContact CG2-CG1 4.33Å; V79-V175 HydrophobicContact CB-CB 4.38Å; V79-V175 HydrophobicContact CG2-CB 4.26Å; V79-V175 HydrophobicContact CG2-CG1 3.99Å; V79-V175 PolarHBondContact N-O 3.01Å; I165-V175 HydrophobicContact CG2-CG1 4.42Å; L168-V175 HydrophobicContact CB-CG2 3.85Å; L168-V175 HydrophobicContact CD1-CG2 4.3Å; L169-V175 HydrophobicContact CD2-CB 4.1Å; L169-V175 HydrophobicContact CD2-CG2 3.95Å; L169-V175 HydrophobicContact CG-CG2 4.36Å; F173-V175 HydrophobicContact CB-CG2 4.31Å; F173-V175 PolarHBondContact O-N 3.4Å
176V96.6Very high94.2Very high33 Ų3357 Ų5720%0.228%0.28CS..EExtended strand (participates in β ladder)trans-109.1128.3170.1172.40000108.4T47 R76 R78T47-V176 PolarHBondContact N-O 3.49Å; T47-V176 PolarHBondContact O-N 3.24Å; T47-V176 WeakPolarHBondContact OG1-CB 3.23Å; T47-V176 PolarHBondContact OG1-O 3.46Å; R76-V176 HydrophobicContact CG-CG1 4.4Å; R78-V176 HydrophobicContact CG-CG2 4.03Å
177M97.8Very high93.1Very high0 Ų060.8 Ų60.80%030%0.297CS..EExtended strand (participates in β ladder)trans-108.6139.5178.9-175.5-179-68.400110.8V44 N45 I46 R76 G77 V79 V107 V133 I165 I179V44-M177 HydrophobicContact CG1-CE 3.95Å; V44-M177 HydrophobicContact CG1-CG 4.15Å; V44-M177 HydrophobicContact CG1-SD 3.98Å; N45-M177 CarbonylContact O-C 3.52Å; N45-M177 WeakPolarHBondContact O-CA 3.32Å; I46-M177 HydrophobicContact CG2-CE 4.12Å; I46-M177 HydrophobicContact CG2-CG 4.48Å; R76-M177 VanDerWaalsContact CA-O 3.29Å; R76-M177 WeakPolarHBondContact CA-O 3.43Å; R76-M177 WeakPolarHBondContact CG-O 3.41Å; G77-M177 PolarHBondContact N-O 2.95Å; G77-M177 PolarHBondContact O-N 3.01Å; V79-M177 HydrophobicContact CG2-CB 3.46Å; V79-M177 VanDerWaalsContact CG2-CB 3.46Å; V79-M177 HydrophobicContact CG2-CE 4.02Å; V107-M177 HydrophobicContact CG1-SD 4.16Å; V133-M177 HydrophobicContact CG2-CE 4.45Å; V133-M177 HydrophobicContact CG2-SD 3.68Å; I165-M177 HydrophobicContact CD1-CE 3.65Å; M177-I179 HydrophobicContact CG-CG1 4.1Å; M177-I179 HydrophobicContact SD-CD1 4.15Å; M177-I179 HydrophobicContact SD-CG1 3.96Å
178H98Very high91.7Very high53 Ų5364.8 Ų64.825%0.24531%0.311CS..EExtended strand (participates in β ladder)trans-123.8116.3170.6-177.3-90.6000109.3N45 R76N45-H178 HydrophobicContact CB-CB 4.2Å; N45-H178 WeakPolarHBondContact CB-O 3.4Å; N45-H178 PolarHBondContact N-O 2.96Å; N45-H178 PolarHBondContact O-N 2.82Å; R76-H178 HydrophobicContact CG-CB 4.34Å
179I98.3Very high90.2Very high0 Ų068.7 Ų68.70%033%0.325CS..EExtended strand (participates in β ladder)trans-99.9126.1179.1-57.7167.3000107.3A42 F43 E74 A75 V107 A131 V133 V153 I155 M177A42-I179 HydrophobicContact CB-CG2 4.19Å; F43-I179 WeakPolarHBondContact O-CA 3.27Å; E74-I179 VanDerWaalsContact CA-O 3.24Å; E74-I179 WeakPolarHBondContact CA-O 3.47Å; A75-I179 HydrophobicContact CB-CB 4.49Å; A75-I179 PolarHBondContact N-O 3.26Å; A75-I179 PolarHBondContact O-N 3.3Å; V107-I179 HydrophobicContact CG1-CD1 4.37Å; A131-I179 HydrophobicContact CB-CD1 3.82Å; V133-I179 HydrophobicContact CG2-CD1 3.83Å; V153-I179 HydrophobicContact CG1-CG2 4.47Å; I155-I179 HydrophobicContact CD1-CD1 3.81Å; I155-I179 HydrophobicContact CD1-CG1 3.92Å; I155-I179 HydrophobicContact CD1-CG2 3.93Å; I155-I179 HydrophobicContact CG1-CD1 4.16Å; I155-I179 HydrophobicContact CG2-CG2 4.09Å; M177-I179 HydrophobicContact CG-CG1 4.1Å; M177-I179 HydrophobicContact SD-CD1 4.15Å; M177-I179 HydrophobicContact SD-CG1 3.96Å
180S97.8Very high88.7Confident11 Ų1171 Ų718%0.07734%0.34CS..EExtended strand (participates in β ladder)trans-128.4155.7175.244.40000110.9A42 F43 Y66 G182A42-S180 WeakPolarHBondContact CA-O 3.44Å; F43-S180 VanDerWaalsContact CB-OG 3.32Å; F43-S180 WeakPolarHBondContact CB-OG 3.3Å; F43-S180 PolarHBondContact N-O 2.85Å; F43-S180 PolarHBondContact O-N 2.79Å; Y66-S180 PolarHBondContact OH-O 2.68Å; S180-G182 PolarHBondContact O-N 3.15Å
181V97.8Very high87.5Confident55 Ų5568.7 Ų68.733%0.33334%0.335SS..EExtended strand (participates in β ladder)trans-68.2129.7-178.6-1750000109.2Y40 Y66 K72Y40-V181 HydrophobicContact CD1-CG1 4.21Å; Y66-V181 PolarHBondContact OH-N 3.18Å; K72-V181 WeakPolarHBondContact O-CG2 3.48Å
182G96Very high86.6Confident16 Ų1673.1 Ų73.117%0.16535%0.346CS..EExtended strand (participates in β ladder)trans-98.6-155.3178.200000113.2T41 S180T41-G182 VanDerWaalsContact O-CA 3.27Å; T41-G182 WeakPolarHBondContact O-CA 3.38Å; T41-G182 PolarHBondContact O-N 3.4Å; T41-G182 WeakPolarHBondContact OG1-CA 3.29Å; S180-G182 PolarHBondContact O-N 3.15Å
183T94.8Very high85.8Confident71 Ų7167.5 Ų67.544%0.43634%0.337SS..EExtended strand (participates in β ladder)trans-62.1134.2176.4-50.40000112.8T41 E62 N185T41-T183 PolarHBondContact N-O 3.2Å; T41-T183 WeakPolarHBondContact OG1-CA 3.41Å; T41-T183 PolarHBondContact OG1-N 3.41Å; T41-T183 PolarHBondContact OG1-O 3.02Å; E62-T183 VanDerWaalsContact OE1-CB 3.3Å; E62-T183 WeakPolarHBondContact OE1-CB 3.25Å; E62-T183 PolarHBondContact OE1-N 3Å; E62-T183 VanDerWaalsContact OE1-N 3.15Å; E62-T183 PolarHBondContact OE1-OG1 3.17Å; T183-N185 PolarHBondContact O-ND2 3.41Å
184R93.6Very high84.9Confident136 Ų13666.9 Ų66.951%0.51334%0.337SS..EExtended strand (participates in β ladder)trans-80.8116.5168.6-178.8-177.8177.2-177.51.5109.3E38 Y40E38-R184 IonicContact OE1-CZ 3.56Å; E38-R184 IonicContact OE1-NE 2.63Å; E38-R184 PolarHBondContact OE1-NE 3.49Å; E38-R184 IonicContact OE1-NH2 2.83Å; E38-R184 PolarHBondContact OE1-NH2 3.43Å; E38-R184 IonicContact OE2-CZ 2.84Å; E38-R184 IonicContact OE2-NE 3.87Å; E38-R184 IonicContact OE2-NH2 3.99Å; E38-R184 PolarHBondContact OE2-NH2 3.42Å; Y40-R184 HydrophobicContact CD1-CB 4.06Å; Y40-R184 HydrophobicContact CD1-CG 4.37Å; Y40-R184 HydrophobicContact CE1-CB 3.71Å; Y40-R184 HydrophobicContact CE1-CG 3.74Å; Y40-R184 HydrophobicContact CE2-CG 4.35Å; Y40-R184 WeakPolarHBondContact OH-CD 3.3Å; Y40-R184 PolarHBondContact OH-NE 2.92Å
185N88.5Confident84.1Confident50 Ų5066.4 Ų66.427%0.26733%0.334SS..EExtended strand (participates in β ladder)trans-103.4135.6178.2-76.2-84.4000110.4W39 T183W39-N185 HydrophobicContact CD2-CB 3.62Å; W39-N185 HydrophobicContact CE3-CB 4.01Å; W39-N185 HydrophobicContact CG-CB 4.25Å; W39-N185 HydrophobicContact CH2-CB 3.76Å; W39-N185 VanDerWaalsContact CH2-CG 3.43Å; W39-N185 WeakPolarHBondContact CH2-ND2 3.43Å; W39-N185 HydrophobicContact CZ2-CB 3.33Å; W39-N185 VanDerWaalsContact CZ2-CG 3.44Å; W39-N185 HydrophobicContact CZ3-CB 4.1Å; W39-N185 WeakPolarHBondContact CZ3-ND2 3.34Å; W39-N185 PolarHBondContact N-O 3.2Å; W39-N185 VanDerWaalsContact N-O 3.13Å; W39-N185 PolarHBondContact O-N 3.15Å; T183-N185 PolarHBondContact O-ND2 3.41Å
186L83.3Confident83.3Confident77 Ų7770.1 Ų70.140%0.40336%0.357SS..EExtended strand (participates in β ladder)trans-123.2103.9178.8-156.882.1000109.9K36 E38 K188K36-L186 HydrophobicContact CD-CD1 3.97Å; K36-L186 HydrophobicContact CD-CD2 4.32Å; K36-L186 HydrophobicContact CD-CG 4.46Å; K36-L186 HydrophobicContact CG-CD1 3.75Å; K36-L186 HydrophobicContact CG-CD2 4.25Å; K36-L186 HydrophobicContact CG-CG 4.03Å; E38-L186 HydrophobicContact CB-CD1 4.03Å; E38-L186 HydrophobicContact CG-CD1 4.17Å; L186-K188 HydrophobicContact CD2-CG 4.41Å
187Q71.6Confident82.4Confident82 Ų8275.4 Ų75.438%0.38338%0.377SS..EExtended strand (participates in β ladder)trans-98.5110175.3-158.6157.1-12.500109.4E37 Y189E37-Q187 PolarHBondContact N-O 3.34Å; E37-Q187 VanDerWaalsContact N-O 3.07Å; E37-Q187 PolarHBondContact O-N 3.4Å; Q187-Y189 HydrophobicContact CB-CD2 4.1Å; Q187-Y189 HydrophobicContact CB-CE2 3.56Å; Q187-Y189 HydrophobicContact CG-CD1 4.29Å; Q187-Y189 HydrophobicContact CG-CD2 3.85Å; Q187-Y189 HydrophobicContact CG-CE1 3.84Å; Q187-Y189 HydrophobicContact CG-CE2 3.34Å; Q187-Y189 HydrophobicContact CG-CG 4.33Å; Q187-Y189 PolarHBondContact NE2-OH 2.86Å; Q187-Y189 PolarHBondContact OE1-OH 2.99Å
188K66.7Low81.5Confident155 Ų15577 Ų7767%0.67439%0.387SS*.EExtended strand (participates in β ladder)trans-85.1107.9169.7-68.9-176.3-178.8-179.70107.5A34 L186A34-K188 HydrophobicContact CB-CB 4.23Å; L186-K188 HydrophobicContact CD2-CG 4.41Å
189Y63.4Low80.7Confident100 Ų10077 Ų7739%0.39239%0.393SS..EExtended strand (participates in β ladder)trans-95.5113.8174.5-67.7-85.3000109.5A34 E35 E37 Q187 S191A34-Y189 VanDerWaalsContact CA-O 3.23Å; A34-Y189 WeakPolarHBondContact CA-O 3.49Å; E35-Y189 PolarHBondContact N-O 3.44Å; E35-Y189 PolarHBondContact O-N 3.49Å; E35-Y189 VanDerWaalsContact O-N 3.11Å; E37-Y189 HydrophobicContact CB-CD2 4.33Å; E37-Y189 HydrophobicContact CB-CE2 3.98Å; E37-Y189 WeakPolarHBondContact OE2-CE2 3.34Å; Q187-Y189 HydrophobicContact CB-CD2 4.1Å; Q187-Y189 HydrophobicContact CB-CE2 3.56Å; Q187-Y189 HydrophobicContact CG-CD1 4.29Å; Q187-Y189 HydrophobicContact CG-CD2 3.85Å; Q187-Y189 HydrophobicContact CG-CE1 3.84Å; Q187-Y189 HydrophobicContact CG-CE2 3.34Å; Q187-Y189 HydrophobicContact CG-CG 4.33Å; Q187-Y189 PolarHBondContact NE2-OH 2.86Å; Q187-Y189 PolarHBondContact OE1-OH 2.99Å; Y189-S191 PolarHBondContact O-N 3.35Å
190V62.8Low80.1Confident79 Ų7981.4 Ų81.448%0.47942%0.415SS..  trans-79.9112.1163.4-178.10000106.4R192 V195V190-R192 PolarHBondContact O-N 3.13Å; V190-V195 HydrophobicContact CG1-CG2 3.47Å; V190-V195 VanDerWaalsContact CG1-CG2 3.47Å
191S66.4Low79.4Confident47 Ų4782.9 Ų82.933%0.32943%0.426SS..  trans-63.2129.2-177.884.90000109.8Y189 T193 S194 V195Y189-S191 PolarHBondContact O-N 3.35Å; S191-T193 PolarHBondContact O-N 2.77Å; S191-T193 PolarHBondContact OG-OG1 3.03Å; S191-S194 PolarHBondContact O-N 3.07Å; S191-S194 PolarHBondContact O-OG 3.37Å; S191-S194 WeakPolarHBondContact OG-CB 3.21Å; S191-S194 PolarHBondContact OG-N 3.39Å; S191-S194 PolarHBondContact OG-OG 2.67Å; S191-V195 PolarHBondContact O-N 3.3Å
192R73.1Confident78.6Confident223 Ų22383.7 Ų83.784%0.84243%0.425SS*.Hα-helixtrans-60.3-32.6178.8-67.2-173.2-178.5-1781.4111.2V190 V195 V196V190-R192 PolarHBondContact O-N 3.13Å; R192-V195 PolarHBondContact O-N 2.73Å; R192-V196 VanDerWaalsContact O-CG2 3.31Å; R192-V196 WeakPolarHBondContact O-CG2 3.48Å; R192-V196 PolarHBondContact O-N 3.47Å; R192-V196 VanDerWaalsContact O-N 3.1Å
193T73.3Confident78.1Confident109 Ų10987.1 Ų87.167%0.66944%0.439SS*.Hα-helixtrans-67.2-41.8177460000112.5S191 V195 V196 F197S191-T193 PolarHBondContact O-N 2.77Å; S191-T193 PolarHBondContact OG-OG1 3.03Å; T193-V195 VanDerWaalsContact C-N 3.33Å; T193-V195 PolarHBondContact O-N 2.97Å; T193-V196 PolarHBondContact O-N 2.87Å; T193-F197 WeakPolarHBondContact O-CB 3.42Å; T193-F197 PolarHBondContact O-N 3.28Å
194S74.8Confident77.6Confident25 Ų2587.1 Ų87.118%0.17544%0.439CS..Hα-helixtrans-64-39.5175.664.70000111.6S191 F197 V198S191-S194 PolarHBondContact O-N 3.07Å; S191-S194 PolarHBondContact O-OG 3.37Å; S191-S194 WeakPolarHBondContact OG-CB 3.21Å; S191-S194 PolarHBondContact OG-N 3.39Å; S191-S194 PolarHBondContact OG-OG 2.67Å; S194-F197 PolarHBondContact O-N 3.11Å; S194-V198 WeakPolarHBondContact O-CB 3.35Å; S194-V198 VanDerWaalsContact O-CG2 3.28Å; S194-V198 WeakPolarHBondContact O-CG2 3.39Å; S194-V198 PolarHBondContact O-N 3.41Å
195V75.3Confident77.2Confident70 Ų7085 Ų8542%0.42444%0.437SS..Hα-helixtrans-63.4-46.3177178.20000111.1V190 S191 R192 T193 F197 V198 S199V190-V195 HydrophobicContact CG1-CG2 3.47Å; V190-V195 VanDerWaalsContact CG1-CG2 3.47Å; S191-V195 PolarHBondContact O-N 3.3Å; R192-V195 PolarHBondContact O-N 2.73Å; T193-V195 VanDerWaalsContact C-N 3.33Å; T193-V195 PolarHBondContact O-N 2.97Å; V195-F197 PolarHBondContact O-N 3.25Å; V195-V198 PolarHBondContact O-N 2.7Å; V195-S199 PolarHBondContact O-N 2.93Å; V195-S199 PolarHBondContact O-OG 3.49Å
196V79.1Confident76.8Confident80 Ų8086.8 Ų86.849%0.48545%0.445SS..Hα-helixtrans-62.3-45177.9172.10000110.7R192 T193 V198 S199 I200R192-V196 VanDerWaalsContact O-CG2 3.31Å; R192-V196 WeakPolarHBondContact O-CG2 3.48Å; R192-V196 PolarHBondContact O-N 3.47Å; R192-V196 VanDerWaalsContact O-N 3.1Å; T193-V196 PolarHBondContact O-N 2.87Å; V196-V198 PolarHBondContact O-N 3.1Å; V196-S199 WeakPolarHBondContact CA-OG 3.33Å; V196-S199 PolarHBondContact O-N 2.85Å; V196-S199 PolarHBondContact O-OG 3.21Å; V196-I200 HydrophobicContact CG1-CD1 3.67Å; V196-I200 HydrophobicContact CG1-CG1 4.34Å; V196-I200 WeakPolarHBondContact O-CG1 3.26Å; V196-I200 PolarHBondContact O-N 3.21Å
197F77.9Confident77.1Confident144 Ų14487.7 Ų87.763%0.63245%0.449SS*.Hα-helixtrans-60.6-43.7179.1-177-97000112.8T193 S194 V195 I200 S201T193-F197 WeakPolarHBondContact O-CB 3.42Å; T193-F197 PolarHBondContact O-N 3.28Å; S194-F197 PolarHBondContact O-N 3.11Å; V195-F197 PolarHBondContact O-N 3.25Å; F197-I200 PolarHBondContact O-N 2.99Å; F197-S201 PolarHBondContact O-N 3.24Å; F197-S201 VanDerWaalsContact O-N 3.13Å; F197-S201 PolarHBondContact O-OG 3.01Å
198V79.3Confident77.8Confident33 Ų3388 Ų8820%0.245%0.453CS..Hα-helixtrans-61.4-44.8175.3167.10000110.9C28 S194 V195 V196 I200 S201 F202C28-V198 HydrophobicContact CB-CG1 3.64Å; C28-V198 HydrophobicContact CB-CG2 4.35Å; S194-V198 WeakPolarHBondContact O-CB 3.35Å; S194-V198 VanDerWaalsContact O-CG2 3.28Å; S194-V198 WeakPolarHBondContact O-CG2 3.39Å; S194-V198 PolarHBondContact O-N 3.41Å; V195-V198 PolarHBondContact O-N 2.7Å; V196-V198 PolarHBondContact O-N 3.1Å; V198-I200 PolarHBondContact O-N 3.38Å; V198-S201 PolarHBondContact O-N 3.5Å; V198-F202 PolarHBondContact O-N 3.45Å
199S81.9Confident78.7Confident53 Ų5381.9 Ų81.937%0.37143%0.429SS..Hα-helixtrans-64.7-41.2-179.471.30000113.2V195 V196 F202 I203V195-S199 PolarHBondContact O-N 2.93Å; V195-S199 PolarHBondContact O-OG 3.49Å; V196-S199 WeakPolarHBondContact CA-OG 3.33Å; V196-S199 PolarHBondContact O-N 2.85Å; V196-S199 PolarHBondContact O-OG 3.21Å; S199-F202 PolarHBondContact O-N 2.67Å; S199-I203 WeakPolarHBondContact O-CG1 3.31Å; S199-I203 PolarHBondContact O-N 3.13Å; S199-I203 VanDerWaalsContact O-N 3.15Å
200I84.5Confident79.8Confident93 Ų9381.4 Ų81.448%0.47743%0.433SS..Hα-helixtrans-65.3-44.3178.6-67.5169.2000110.4V196 F197 V198 F202 I203 V204V196-I200 HydrophobicContact CG1-CD1 3.67Å; V196-I200 HydrophobicContact CG1-CG1 4.34Å; V196-I200 WeakPolarHBondContact O-CG1 3.26Å; V196-I200 PolarHBondContact O-N 3.21Å; F197-I200 PolarHBondContact O-N 2.99Å; V198-I200 PolarHBondContact O-N 3.38Å; I200-F202 VanDerWaalsContact C-N 3.27Å; I200-F202 PolarHBondContact O-N 3Å; I200-I203 PolarHBondContact O-N 3.3Å; I200-V204 HydrophobicContact CG2-CG2 4.42Å; I200-V204 WeakPolarHBondContact O-CG2 3.3Å; I200-V204 PolarHBondContact O-N 3.35Å
201S83.1Confident81.2Confident43 Ų4380.4 Ų80.430%0.30143%0.433SS..Hα-helixtrans-58.6-41.7179.3-58.60000111.6F197 V198 V204 L205F197-S201 PolarHBondContact O-N 3.24Å; F197-S201 VanDerWaalsContact O-N 3.13Å; F197-S201 PolarHBondContact O-OG 3.01Å; V198-S201 PolarHBondContact O-N 3.5Å; S201-V204 PolarHBondContact O-N 3.13Å; S201-L205 WeakPolarHBondContact O-CG 3.32Å; S201-L205 PolarHBondContact O-N 2.83Å; S201-L205 VanDerWaalsContact O-N 3.12Å
202F82Confident82.3Confident72 Ų7287.1 Ų87.132%0.31645%0.451SS..Hα-helixtrans-63.9-44.9176.6-179.3-93.1000113F21 V198 S199 I200 V204 L205 M206F21-F202 HydrophobicContact CD2-CE2 4.24Å; F21-F202 HydrophobicContact CE1-CE2 4.03Å; F21-F202 HydrophobicContact CE1-CZ 4.37Å; F21-F202 HydrophobicContact CE2-CD2 4.05Å; F21-F202 AromaticContact CE2-CE2 3.18Å; F21-F202 HydrophobicContact CE2-CE2 3.18Å; F21-F202 AromaticContact CE2-CZ 3.64Å; F21-F202 HydrophobicContact CE2-CZ 3.64Å; F21-F202 HydrophobicContact CZ-CD2 4.3Å; F21-F202 AromaticContact CZ-CE2 3.1Å; F21-F202 HydrophobicContact CZ-CE2 3.1Å; F21-F202 AromaticContact CZ-CZ 3.3Å; F21-F202 HydrophobicContact CZ-CZ 3.3Å; V198-F202 PolarHBondContact O-N 3.45Å; S199-F202 PolarHBondContact O-N 2.67Å; I200-F202 VanDerWaalsContact C-N 3.27Å; I200-F202 PolarHBondContact O-N 3Å; F202-V204 VanDerWaalsContact C-N 3.33Å; F202-V204 PolarHBondContact O-N 2.73Å; F202-L205 PolarHBondContact O-N 2.8Å; F202-M206 PolarHBondContact O-N 2.87Å
203I84.8Confident82.8Confident87 Ų8780.8 Ų80.845%0.44643%0.433SS..Hα-helixtrans-61.8-42.7178.7-66.6165.5000110.6S199 I200 M206 I207S199-I203 WeakPolarHBondContact O-CG1 3.31Å; S199-I203 PolarHBondContact O-N 3.13Å; S199-I203 VanDerWaalsContact O-N 3.15Å; I200-I203 PolarHBondContact O-N 3.3Å; I203-M206 WeakPolarHBondContact O-CB 3.32Å; I203-M206 PolarHBondContact O-N 2.83Å; I203-I207 HydrophobicContact CG2-CD1 3.88Å; I203-I207 WeakPolarHBondContact O-CG1 3.17Å; I203-I207 PolarHBondContact O-N 3.35Å
204V85.1Confident83.6Confident72 Ų7279.3 Ų79.344%0.43642%0.424SS..Hα-helixtrans-62.6-46.1178.7172.10000111.3I200 S201 F202 M206 I207 I208I200-V204 HydrophobicContact CG2-CG2 4.42Å; I200-V204 WeakPolarHBondContact O-CG2 3.3Å; I200-V204 PolarHBondContact O-N 3.35Å; S201-V204 PolarHBondContact O-N 3.13Å; F202-V204 VanDerWaalsContact C-N 3.33Å; F202-V204 PolarHBondContact O-N 2.73Å; V204-M206 VanDerWaalsContact C-N 3.32Å; V204-M206 PolarHBondContact O-N 3.17Å; V204-I207 PolarHBondContact O-N 2.86Å; V204-I208 HydrophobicContact CG1-CD1 3.84Å; V204-I208 WeakPolarHBondContact O-CG1 3.29Å; V204-I208 PolarHBondContact O-N 3.19Å
205L83.4Confident84.5Confident92 Ų9284 Ų8448%0.48244%0.441SS..Hα-helixtrans-62.5-39.6177.4-69.4175000112.1V24 S201 F202 I208 S209V24-L205 HydrophobicContact CG1-CD1 4.22Å; S201-L205 WeakPolarHBondContact O-CG 3.32Å; S201-L205 PolarHBondContact O-N 2.83Å; S201-L205 VanDerWaalsContact O-N 3.12Å; F202-L205 PolarHBondContact O-N 2.8Å; L205-I208 PolarHBondContact O-N 3.08Å; L205-S209 WeakPolarHBondContact O-CB 3.37Å; L205-S209 PolarHBondContact O-N 3.3Å
206M81.8Confident85.2Confident86 Ų8686 Ų8642%0.42444%0.442SS..Hα-helixtrans-60.6-46.1174.9-171.2-16274.500111.3F202 I203 V204 I208 S209 L210F202-M206 PolarHBondContact O-N 2.87Å; I203-M206 WeakPolarHBondContact O-CB 3.32Å; I203-M206 PolarHBondContact O-N 2.83Å; V204-M206 VanDerWaalsContact C-N 3.32Å; V204-M206 PolarHBondContact O-N 3.17Å; M206-I208 PolarHBondContact O-N 3.16Å; M206-S209 PolarHBondContact O-N 3.15Å; M206-S209 PolarHBondContact O-OG 3.15Å; M206-L210 HydrophobicContact CE-CD1 4.11Å; M206-L210 HydrophobicContact CG-CD1 4.18Å; M206-L210 WeakPolarHBondContact O-CG 3.35Å; M206-L210 PolarHBondContact O-N 2.76Å
207I88.6Confident85.6Confident96 Ų9688.3 Ų88.349%0.49244%0.443SS..Hα-helixtrans-62.7-44.9179.1-67.5166.3000111.1I203 V204 S209 L210 A211I203-I207 HydrophobicContact CG2-CD1 3.88Å; I203-I207 WeakPolarHBondContact O-CG1 3.17Å; I203-I207 PolarHBondContact O-N 3.35Å; V204-I207 PolarHBondContact O-N 2.86Å; I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 3.39Å; I207-L210 PolarHBondContact O-N 2.56Å; I207-A211 WeakPolarHBondContact O-CB 3.46Å; I207-A211 PolarHBondContact O-N 3.24Å
208I87.4Confident86.2Confident90 Ų9085.7 Ų85.746%0.46244%0.435SS..Hα-helixtrans-60.1-42.8177.8-66.9166.9000110.5V204 L205 M206 A211 W212V204-I208 HydrophobicContact CG1-CD1 3.84Å; V204-I208 WeakPolarHBondContact O-CG1 3.29Å; V204-I208 PolarHBondContact O-N 3.19Å; L205-I208 PolarHBondContact O-N 3.08Å; M206-I208 PolarHBondContact O-N 3.16Å; I208-A211 PolarHBondContact O-N 2.83Å; I208-W212 PolarHBondContact O-N 2.76Å
209S85.6Confident86.4Confident26 Ų2689.5 Ų89.518%0.18245%0.451CS..Hα-helixtrans-61.8-44.3178.178.50000113L205 M206 I207 W212 L213L205-S209 WeakPolarHBondContact O-CB 3.37Å; L205-S209 PolarHBondContact O-N 3.3Å; M206-S209 PolarHBondContact O-N 3.15Å; M206-S209 PolarHBondContact O-OG 3.15Å; I207-S209 VanDerWaalsContact C-N 3.3Å; I207-S209 PolarHBondContact O-N 3.39Å; S209-W212 PolarHBondContact O-N 2.79Å; S209-L213 WeakPolarHBondContact O-CB 3.24Å; S209-L213 PolarHBondContact O-N 2.73Å
210L86.1Confident86.7Confident90 Ų9092 Ų9247%0.47145%0.452SS..Hα-helixtrans-67.7-42.1-179.9-72.7170.4000110.9M206 I207 W212 L213 V214M206-L210 HydrophobicContact CE-CD1 4.11Å; M206-L210 HydrophobicContact CG-CD1 4.18Å; M206-L210 WeakPolarHBondContact O-CG 3.35Å; M206-L210 PolarHBondContact O-N 2.76Å; I207-L210 PolarHBondContact O-N 2.56Å; L210-W212 VanDerWaalsContact C-N 3.34Å; L210-W212 PolarHBondContact O-N 2.76Å; L210-L213 PolarHBondContact O-N 2.86Å; L210-V214 WeakPolarHBondContact O-CB 3.38Å; L210-V214 VanDerWaalsContact O-CG2 3.28Å; L210-V214 WeakPolarHBondContact O-CG2 3.4Å; L210-V214 PolarHBondContact O-N 2.96Å
211A91.1Very high86.8Confident58 Ų5894 Ų9448%0.47946%0.458SS..Hα-helixtrans-60.3-43.8175.600000111.7I207 I208 V214 F215I207-A211 WeakPolarHBondContact O-CB 3.46Å; I207-A211 PolarHBondContact O-N 3.24Å; I208-A211 PolarHBondContact O-N 2.83Å; A211-V214 PolarHBondContact O-N 3.32Å; A211-F215 WeakPolarHBondContact O-CB 3.46Å; A211-F215 PolarHBondContact O-N 3Å
212W90Very high86.9Confident187 Ų187100.7 Ų100.771%0.70848%0.476SS*.Hα-helixtrans-62.6-43.1175.3-102.786.7000112.7I208 S209 L210 F215 Y216I208-W212 PolarHBondContact O-N 2.76Å; S209-W212 PolarHBondContact O-N 2.79Å; L210-W212 VanDerWaalsContact C-N 3.34Å; L210-W212 PolarHBondContact O-N 2.76Å; W212-F215 PolarHBondContact O-N 3Å; W212-Y216 VanDerWaalsContact O-CB 3.29Å; W212-Y216 WeakPolarHBondContact O-CB 3.27Å; W212-Y216 PolarHBondContact O-N 3.45Å
213L84.1Confident86.9Confident90 Ų90104.8 Ų104.847%0.47149%0.491SS..Hα-helixtrans-64-45.9177.8-177.5145000111S209 L210 Y216 Y217S209-L213 WeakPolarHBondContact O-CB 3.24Å; S209-L213 PolarHBondContact O-N 2.73Å; L210-L213 PolarHBondContact O-N 2.86Å; L213-Y216 WeakPolarHBondContact O-CB 3.43Å; L213-Y216 PolarHBondContact O-N 3.46Å; L213-Y217 HydrophobicContact CD1-CE2 4.24Å; L213-Y217 HydrophobicContact CD2-CD2 3.5Å; L213-Y217 VanDerWaalsContact CD2-CD2 3.5Å; L213-Y217 HydrophobicContact CD2-CE2 3.53Å; L213-Y217 HydrophobicContact CG-CD2 3.82Å; L213-Y217 HydrophobicContact CG-CE2 3.69Å; L213-Y217 WeakPolarHBondContact O-CD2 3.46Å; L213-Y217 PolarHBondContact O-N 3.42Å
214V90.7Very high86.7Confident78 Ų78103.2 Ų103.247%0.47349%0.49SS..Hα-helixtrans-59.8-47.9175.8170.40000110.4L210 A211 Y216 Y217 I218L210-V214 WeakPolarHBondContact O-CB 3.38Å; L210-V214 VanDerWaalsContact O-CG2 3.28Å; L210-V214 WeakPolarHBondContact O-CG2 3.4Å; L210-V214 PolarHBondContact O-N 2.96Å; A211-V214 PolarHBondContact O-N 3.32Å; V214-Y216 VanDerWaalsContact C-N 3.34Å; V214-Y216 PolarHBondContact O-N 2.73Å; V214-Y217 PolarHBondContact O-N 3.28Å; V214-I218 HydrophobicContact CG1-CD1 3.65Å; V214-I218 HydrophobicContact CG1-CG1 4.32Å; V214-I218 VanDerWaalsContact O-CG1 3.26Å; V214-I218 WeakPolarHBondContact O-CG1 3.17Å; V214-I218 PolarHBondContact O-N 3.46Å
215F92.3Very high86.5Confident123 Ų123102.6 Ų102.654%0.53949%0.485SS..Hα-helixtrans-59.8-44.4177.2-175.7-95.5000111.9A211 W212 Y217 I218 Q219A211-F215 WeakPolarHBondContact O-CB 3.46Å; A211-F215 PolarHBondContact O-N 3Å; W212-F215 PolarHBondContact O-N 3Å; F215-Y217 PolarHBondContact O-N 3.36Å; F215-I218 PolarHBondContact O-N 3.33Å; F215-Q219 VanDerWaalsContact O-CB 3.29Å; F215-Q219 WeakPolarHBondContact O-CB 3.19Å; F215-Q219 PolarHBondContact O-N 3.01Å
216Y89.8Confident86.5Confident113 Ų113101 Ų10144%0.44349%0.485SS..Hα-helixtrans-59.1-46175.9173.6-96.2000112W212 L213 V214 Q219 R220W212-Y216 VanDerWaalsContact O-CB 3.29Å; W212-Y216 WeakPolarHBondContact O-CB 3.27Å; W212-Y216 PolarHBondContact O-N 3.45Å; L213-Y216 WeakPolarHBondContact O-CB 3.43Å; L213-Y216 PolarHBondContact O-N 3.46Å; V214-Y216 VanDerWaalsContact C-N 3.34Å; V214-Y216 PolarHBondContact O-N 2.73Å; Y216-Q219 PolarHBondContact O-N 2.9Å; Y216-R220 WeakPolarHBondContact O-CB 3.48Å; Y216-R220 PolarHBondContact O-N 2.8Å
217Y88.2Confident86.5Confident128 Ų128103.4 Ų103.450%0.50249%0.489SS..Hα-helixtrans-65.8-42.5177.5-85.6-73.1000112.2L213 V214 F215 R220 F221L213-Y217 HydrophobicContact CD1-CE2 4.24Å; L213-Y217 HydrophobicContact CD2-CD2 3.5Å; L213-Y217 VanDerWaalsContact CD2-CD2 3.5Å; L213-Y217 HydrophobicContact CD2-CE2 3.53Å; L213-Y217 HydrophobicContact CG-CD2 3.82Å; L213-Y217 HydrophobicContact CG-CE2 3.69Å; L213-Y217 WeakPolarHBondContact O-CD2 3.46Å; L213-Y217 PolarHBondContact O-N 3.42Å; V214-Y217 PolarHBondContact O-N 3.28Å; F215-Y217 PolarHBondContact O-N 3.36Å; Y217-R220 PolarHBondContact O-N 2.99Å; Y217-F221 VanDerWaalsContact O-CB 3.28Å; Y217-F221 WeakPolarHBondContact O-CB 3.49Å; Y217-F221 PolarHBondContact O-N 3.02Å
218I90.2Very high86.1Confident90 Ų90101.8 Ų101.846%0.46248%0.481SS..Hα-helixtrans-61.3-49.8176-68.4169.8000110.1V214 F215 R220 F221 R222V214-I218 HydrophobicContact CG1-CD1 3.65Å; V214-I218 HydrophobicContact CG1-CG1 4.32Å; V214-I218 VanDerWaalsContact O-CG1 3.26Å; V214-I218 WeakPolarHBondContact O-CG1 3.17Å; V214-I218 PolarHBondContact O-N 3.46Å; F215-I218 PolarHBondContact O-N 3.33Å; I218-R220 VanDerWaalsContact C-N 3.3Å; I218-R220 PolarHBondContact O-N 3.43Å; I218-F221 PolarHBondContact O-N 2.81Å; I218-R222 HydrophobicContact CG2-CG 4.42Å; I218-R222 WeakPolarHBondContact O-CB 3.42Å; I218-R222 VanDerWaalsContact O-CG 3.28Å; I218-R222 WeakPolarHBondContact O-CG 3.49Å; I218-R222 PolarHBondContact O-N 2.98Å
219Q84.4Confident85.9Confident113 Ų113106 Ų10653%0.52849%0.491SS..Hα-helixtrans-60.4-43.4179.9-172177.510.300110.8F215 Y216 R222 Y223F215-Q219 VanDerWaalsContact O-CB 3.29Å; F215-Q219 WeakPolarHBondContact O-CB 3.19Å; F215-Q219 PolarHBondContact O-N 3.01Å; Y216-Q219 PolarHBondContact O-N 2.9Å; Q219-R222 PolarHBondContact O-N 3.02Å; Q219-Y223 VanDerWaalsContact O-CB 3.29Å; Q219-Y223 WeakPolarHBondContact O-CB 3.11Å; Q219-Y223 PolarHBondContact O-N 3.2Å
220R86.8Confident85.6Confident104 Ų104109 Ų10939%0.39251%0.505SS..Hα-helixtrans-67.2-41.9178.7-174.8171179.8-153.11.7112.8Y216 Y217 I218 Y223 A224Y216-R220 WeakPolarHBondContact O-CB 3.48Å; Y216-R220 PolarHBondContact O-N 2.8Å; Y217-R220 PolarHBondContact O-N 2.99Å; I218-R220 VanDerWaalsContact C-N 3.3Å; I218-R220 PolarHBondContact O-N 3.43Å; R220-Y223 PolarHBondContact O-N 3.48Å; R220-A224 WeakPolarHBondContact O-CB 3.19Å; R220-A224 PolarHBondContact O-N 3.43Å
221F86.8Confident85.4Confident137 Ų137110.6 Ų110.660%0.60151%0.511SS*.Hα-helixtrans-63.8-44176.2-176.2-108.2000110.9Y217 I218 Y223 A224 N225Y217-F221 VanDerWaalsContact O-CB 3.28Å; Y217-F221 WeakPolarHBondContact O-CB 3.49Å; Y217-F221 PolarHBondContact O-N 3.02Å; I218-F221 PolarHBondContact O-N 2.81Å; F221-Y223 PolarHBondContact O-N 2.82Å; F221-A224 PolarHBondContact O-N 2.89Å; F221-N225 WeakPolarHBondContact CD1-ND2 3.49Å; F221-N225 WeakPolarHBondContact CE1-ND2 3.04Å; F221-N225 WeakPolarHBondContact CZ-ND2 3.28Å; F221-N225 WeakPolarHBondContact O-CB 3.29Å; F221-N225 PolarHBondContact O-N 2.84Å; F221-N225 PolarHBondContact O-ND2 3.45Å
222R85.1Confident85Confident183 Ų183115.4 Ų115.469%0.69152%0.516SS*.Hα-helixtrans-62-42.7174.6-71.4-176.670.1173.81.8111.9I218 Q219 A226I218-R222 HydrophobicContact CG2-CG 4.42Å; I218-R222 WeakPolarHBondContact O-CB 3.42Å; I218-R222 VanDerWaalsContact O-CG 3.28Å; I218-R222 WeakPolarHBondContact O-CG 3.49Å; I218-R222 PolarHBondContact O-N 2.98Å; Q219-R222 PolarHBondContact O-N 3.02Å; R222-A226 VanDerWaalsContact O-CB 3.27Å; R222-A226 WeakPolarHBondContact O-CB 3.2Å; R222-A226 PolarHBondContact O-N 3.46Å
223Y82.7Confident84.6Confident158 Ų158115.6 Ų115.662%0.6252%0.517SS*.Hα-helixtrans-65.4-45.7178.1-175.4-96.8000112.2Q219 R220 F221 N225 A226 R227Q219-Y223 VanDerWaalsContact O-CB 3.29Å; Q219-Y223 WeakPolarHBondContact O-CB 3.11Å; Q219-Y223 PolarHBondContact O-N 3.2Å; R220-Y223 PolarHBondContact O-N 3.48Å; F221-Y223 PolarHBondContact O-N 2.82Å; Y223-N225 PolarHBondContact O-N 3.07Å; Y223-A226 PolarHBondContact O-N 3.44Å; Y223-R227 PolarHBondContact O-N 3.4Å
224A80.5Confident84.4Confident53 Ų53112.9 Ų112.944%0.43850%0.503SS..Hα-helixtrans-61.2-45176.500000111.8R220 F221 A226 R227 D228R220-A224 WeakPolarHBondContact O-CB 3.19Å; R220-A224 PolarHBondContact O-N 3.43Å; F221-A224 PolarHBondContact O-N 2.89Å; A224-A226 VanDerWaalsContact C-N 3.35Å; A224-A226 PolarHBondContact O-N 3.49Å; A224-R227 PolarHBondContact O-N 3.18Å; A224-D228 PolarHBondContact O-N 3.29Å
225N82.1Confident84Confident60 Ų60110.2 Ų110.232%0.32149%0.491SS..Hα-helixtrans-67.8-33.8177.8-69.1-9.5000112.6F221 Y223 R229F221-N225 WeakPolarHBondContact CD1-ND2 3.49Å; F221-N225 WeakPolarHBondContact CE1-ND2 3.04Å; F221-N225 WeakPolarHBondContact CZ-ND2 3.28Å; F221-N225 WeakPolarHBondContact O-CB 3.29Å; F221-N225 PolarHBondContact O-N 2.84Å; F221-N225 PolarHBondContact O-ND2 3.45Å; Y223-N225 PolarHBondContact O-N 3.07Å; N225-R229 VanDerWaalsContact O-CG 3.31Å; N225-R229 WeakPolarHBondContact O-CG 3.42Å; N225-R229 PolarHBondContact O-N 3.42Å; N225-R229 VanDerWaalsContact O-N 3.11Å
226A82.4Confident83.7Confident58 Ų58109.2 Ų109.248%0.47949%0.491SS..Hα-helixtrans-65.8-42173.900000111.4R222 Y223 A224 R229 N230R222-A226 VanDerWaalsContact O-CB 3.27Å; R222-A226 WeakPolarHBondContact O-CB 3.2Å; R222-A226 PolarHBondContact O-N 3.46Å; Y223-A226 PolarHBondContact O-N 3.44Å; A224-A226 VanDerWaalsContact C-N 3.35Å; A224-A226 PolarHBondContact O-N 3.49Å; A226-R229 PolarHBondContact O-N 2.95Å; A226-N230 PolarHBondContact O-N 3.36Å
227R81Confident83.3Confident137 Ų137105.8 Ų105.852%0.51749%0.486SS..Hα-helixtrans-64-46.4176.4-172.2175176.7111.7-7.7111.9Y223 A224 R229 N230 Q231 E323Y223-R227 PolarHBondContact O-N 3.4Å; A224-R227 PolarHBondContact O-N 3.18Å; R227-R229 PolarHBondContact O-N 2.89Å; R227-N230 PolarHBondContact O-N 3.49Å; R227-Q231 WeakPolarHBondContact O-CB 3.42Å; R227-Q231 PolarHBondContact O-N 3.06Å; R227-E323 IonicContact NH2-OE1 3.1Å; R227-E323 PolarHBondContact NH2-OE1 3.37Å
228D81.5Confident83.1Confident62 Ų6299.7 Ų99.733%0.33246%0.462SS..Hα-helixtrans-60.4-44.6178178.446.2000111.7A224 N230 Q231 R232A224-D228 PolarHBondContact O-N 3.29Å; D228-N230 PolarHBondContact O-N 3.34Å; D228-Q231 PolarHBondContact O-N 3.41Å; D228-R232 WeakPolarHBondContact O-CG 3.41Å; D228-R232 PolarHBondContact O-N 3.37Å; D228-R232 IonicContact OD1-CZ 2.85Å; D228-R232 IonicContact OD1-NE 2.81Å; D228-R232 PolarHBondContact OD1-NE 2.88Å; D228-R232 IonicContact OD1-NH2 3.72Å; D228-R232 IonicContact OD2-CZ 2.77Å; D228-R232 IonicContact OD2-NE 3.82Å; D228-R232 PolarHBondContact OD2-NE 3.24Å; D228-R232 IonicContact OD2-NH2 3.73Å; D228-R232 PolarHBondContact OD2-NH2 2.95Å
229R83Confident82.9Confident178 Ų178101 Ų10167%0.67246%0.464SS*.Hα-helixtrans-60.5-42.3174.9-73.6177.7-177.1-174.21.3112.5N225 A226 R227 R233N225-R229 VanDerWaalsContact O-CG 3.31Å; N225-R229 WeakPolarHBondContact O-CG 3.42Å; N225-R229 PolarHBondContact O-N 3.42Å; N225-R229 VanDerWaalsContact O-N 3.11Å; A226-R229 PolarHBondContact O-N 2.95Å; R227-R229 PolarHBondContact O-N 2.89Å; R229-R233 VanDerWaalsContact O-CG 3.31Å; R229-R233 WeakPolarHBondContact O-CG 3.46Å; R229-R233 PolarHBondContact O-N 3.16Å; R229-R233 VanDerWaalsContact O-N 3.1Å
230N79.2Confident83Confident88 Ų88102.3 Ų102.347%0.47147%0.469SS..Hα-helixtrans-67.9-40.2179-163.842.1000111.8A226 R227 D228 R233 L234A226-N230 PolarHBondContact O-N 3.36Å; R227-N230 PolarHBondContact O-N 3.49Å; D228-N230 PolarHBondContact O-N 3.34Å; N230-R233 PolarHBondContact O-N 3.2Å; N230-L234 WeakPolarHBondContact O-CB 3.16Å; N230-L234 PolarHBondContact O-N 3.27Å
231Q81.4Confident82.9Confident125 Ų12597.4 Ų97.458%0.58445%0.45SS*.Hα-helixtrans-64.2-42178.1-171.6170.9-9.700111.9R227 D228 L234 G235R227-Q231 WeakPolarHBondContact O-CB 3.42Å; R227-Q231 PolarHBondContact O-N 3.06Å; D228-Q231 PolarHBondContact O-N 3.41Å; Q231-L234 PolarHBondContact O-N 3.42Å; Q231-G235 PolarHBondContact O-N 2.79Å
232R82.8Confident82.8Confident159 Ų15991.2 Ų91.260%0.642%0.423SS*.Hα-helixtrans-62.2-47.6173.6-67.7177.9-165-1586.2111.8D228 L234 G235 D236D228-R232 WeakPolarHBondContact O-CG 3.41Å; D228-R232 PolarHBondContact O-N 3.37Å; D228-R232 IonicContact OD1-CZ 2.85Å; D228-R232 IonicContact OD1-NE 2.81Å; D228-R232 PolarHBondContact OD1-NE 2.88Å; D228-R232 IonicContact OD1-NH2 3.72Å; D228-R232 IonicContact OD2-CZ 2.77Å; D228-R232 IonicContact OD2-NE 3.82Å; D228-R232 PolarHBondContact OD2-NE 3.24Å; D228-R232 IonicContact OD2-NH2 3.73Å; D228-R232 PolarHBondContact OD2-NH2 2.95Å; R232-L234 VanDerWaalsContact C-N 3.32Å; R232-L234 PolarHBondContact O-N 3.22Å; R232-G235 PolarHBondContact O-N 2.98Å; R232-D236 PolarHBondContact O-N 3.44Å
233R82.5Confident82.7Confident190 Ų19086.7 Ų86.772%0.71742%0.42SS*.Hα-helixtrans-57.2-43.3177.4-75.6178.1176.6-159.8-1.6112.5R229 N230 A237R229-R233 VanDerWaalsContact O-CG 3.31Å; R229-R233 WeakPolarHBondContact O-CG 3.46Å; R229-R233 PolarHBondContact O-N 3.16Å; R229-R233 VanDerWaalsContact O-N 3.1Å; N230-R233 PolarHBondContact O-N 3.2Å; R233-A237 PolarHBondContact O-N 3.1Å; R233-A237 VanDerWaalsContact O-N 3.1Å
234L79.6Confident82.8Confident34 Ų3486.2 Ų86.218%0.17842%0.421CS..Hα-helixtrans-71.8-36.3179.6-169.560.8000112.2N230 Q231 R232 A237 A238 R299 L309N230-L234 WeakPolarHBondContact O-CB 3.16Å; N230-L234 PolarHBondContact O-N 3.27Å; Q231-L234 PolarHBondContact O-N 3.42Å; R232-L234 VanDerWaalsContact C-N 3.32Å; R232-L234 PolarHBondContact O-N 3.22Å; L234-A237 PolarHBondContact O-N 2.85Å; L234-A238 WeakPolarHBondContact O-CB 3.48Å; L234-A238 PolarHBondContact O-N 2.9Å; L234-R299 VanDerWaalsContact CD2-CZ 3.44Å; L234-L309 HydrophobicContact CD1-CD1 4.49Å
235G82.9Confident83Confident21 Ų2184.3 Ų84.322%0.21640%0.403CS..Hα-helixtrans-61.6-43.4172.800000112.6Q231 R232 A238 K239Q231-G235 PolarHBondContact O-N 2.79Å; R232-G235 PolarHBondContact O-N 2.98Å; G235-A238 PolarHBondContact O-N 2.9Å; G235-K239 WeakPolarHBondContact O-CG 3.34Å; G235-K239 PolarHBondContact O-N 2.82Å
236D84.5Confident83.2Confident103 Ų10387.4 Ų87.455%0.55142%0.416SS*.Hα-helixtrans-66.2-39.7177-67.6-23000111.9R232 K239 K240R232-D236 PolarHBondContact O-N 3.44Å; D236-K239 PolarHBondContact O-N 2.83Å; D236-K240 WeakPolarHBondContact O-CB 3.43Å; D236-K240 PolarHBondContact O-N 2.84Å
237A82.8Confident83.5Confident41 Ų4188 Ų8834%0.33941%0.413SS..Hα-helixtrans-62.5-41.5173.700000112.2R233 L234 K240 A241R233-A237 PolarHBondContact O-N 3.1Å; R233-A237 VanDerWaalsContact O-N 3.1Å; L234-A237 PolarHBondContact O-N 2.85Å; A237-K240 PolarHBondContact O-N 3.5Å; A237-A241 WeakPolarHBondContact O-CB 3.27Å; A237-A241 PolarHBondContact O-N 3Å
238A83.7Confident83.7Confident0 Ų087 Ų870%041%0.41CS..Hα-helixtrans-64.1-46.4176.600000111.9L234 G235 K240 A241 I242 R299L234-A238 WeakPolarHBondContact O-CB 3.48Å; L234-A238 PolarHBondContact O-N 2.9Å; G235-A238 PolarHBondContact O-N 2.9Å; A238-K240 VanDerWaalsContact C-N 3.32Å; A238-K240 PolarHBondContact O-N 3.23Å; A238-A241 PolarHBondContact O-N 3.33Å; A238-A241 VanDerWaalsContact O-N 3.12Å; A238-I242 WeakPolarHBondContact O-CD1 3.29Å; A238-I242 VanDerWaalsContact O-CG1 3.23Å; A238-I242 WeakPolarHBondContact O-CG1 3.29Å; A238-I242 PolarHBondContact O-N 3.07Å; A238-R299 HydrophobicContact CB-CG 4.2Å
239K86.3Confident83.9Confident116 Ų11687.5 Ų87.550%0.50442%0.415SS..Hα-helixtrans-57.3-44.4175.7-73.2176-178.7176.90112G235 D236 A241 I242 S243 Q296G235-K239 WeakPolarHBondContact O-CG 3.34Å; G235-K239 PolarHBondContact O-N 2.82Å; D236-K239 PolarHBondContact O-N 2.83Å; K239-A241 VanDerWaalsContact C-N 3.33Å; K239-A241 PolarHBondContact O-N 2.92Å; K239-I242 PolarHBondContact O-N 2.91Å; K239-S243 PolarHBondContact O-N 2.94Å; K239-Q296 HydrophobicContact CG-CG 4.34Å
240K85.9Confident83.9Confident142 Ų14279.1 Ų79.162%0.61738%0.383SS*.Hα-helixtrans-66.4-32177.2-170.7175.9-176.5177.40113.1D236 A237 A238 S243 K244D236-K240 WeakPolarHBondContact O-CB 3.43Å; D236-K240 PolarHBondContact O-N 2.84Å; A237-K240 PolarHBondContact O-N 3.5Å; A238-K240 VanDerWaalsContact C-N 3.32Å; A238-K240 PolarHBondContact O-N 3.23Å; K240-S243 PolarHBondContact O-OG 2.8Å; K240-K244 WeakPolarHBondContact O-CG 3.48Å
241A83.4Confident83.8Confident1 Ų182.2 Ų82.21%0.00839%0.392CS..Hα-helixtrans-73.7-42.5175.100000111.6A237 A238 K239 S243 K244 L309 L312 I314A237-A241 WeakPolarHBondContact O-CB 3.27Å; A237-A241 PolarHBondContact O-N 3Å; A238-A241 PolarHBondContact O-N 3.33Å; A238-A241 VanDerWaalsContact O-N 3.12Å; K239-A241 VanDerWaalsContact C-N 3.33Å; K239-A241 PolarHBondContact O-N 2.92Å; A241-S243 VanDerWaalsContact C-N 3.33Å; A241-S243 PolarHBondContact O-N 3.35Å; A241-K244 WeakPolarHBondContact O-CB 3.35Å; A241-K244 PolarHBondContact O-N 2.77Å; A241-K244 VanDerWaalsContact O-N 3.11Å; A241-L309 HydrophobicContact CB-CD2 3.31Å; A241-L312 HydrophobicContact CB-CD1 3.96Å; A241-I314 HydrophobicContact CB-CD1 3.93Å
242I86Confident83.2Confident6 Ų685.5 Ų85.53%0.03141%0.405CS..Hα-helixtrans-61.5-41.6177.3-65.2161.2000110.5A238 K239 K244 L245 R278 L295 Q296 I308A238-I242 WeakPolarHBondContact O-CD1 3.29Å; A238-I242 VanDerWaalsContact O-CG1 3.23Å; A238-I242 WeakPolarHBondContact O-CG1 3.29Å; A238-I242 PolarHBondContact O-N 3.07Å; K239-I242 PolarHBondContact O-N 2.91Å; I242-K244 PolarHBondContact O-N 2.93Å; I242-K244 VanDerWaalsContact O-N 3.12Å; I242-L245 WeakPolarHBondContact O-CB 3.41Å; I242-L245 PolarHBondContact O-N 2.87Å; I242-L245 VanDerWaalsContact O-N 3.08Å; I242-R278 PolarHBondContact O-NH1 2.89Å; I242-L295 HydrophobicContact CD1-CB 3.55Å; I242-L295 HydrophobicContact CG1-CB 3.8Å; I242-L295 HydrophobicContact CG1-CD1 4.37Å; I242-Q296 HydrophobicContact CD1-CG 3.74Å; I242-I308 HydrophobicContact CG1-CD1 3.83Å
243S83.5Confident82.2Confident88 Ų8880.8 Ų80.862%0.61541%0.406SS*.THydrogen-bonded Turntrans-62.4-20.6178.167.50000113.9K239 K240 A241K239-S243 PolarHBondContact O-N 2.94Å; K240-S243 PolarHBondContact O-OG 2.8Å; A241-S243 VanDerWaalsContact C-N 3.33Å; A241-S243 PolarHBondContact O-N 3.35Å
244K83.9Confident81.7Confident149 Ų14973 Ų7365%0.64838%0.378SS*.THydrogen-bonded Turntrans-88.7-10.7177.5-68.6-180176.3-170.30114K240 A241 I242K240-K244 WeakPolarHBondContact O-CG 3.48Å; A241-K244 WeakPolarHBondContact O-CB 3.35Å; A241-K244 PolarHBondContact O-N 2.77Å; A241-K244 VanDerWaalsContact O-N 3.11Å; I242-K244 PolarHBondContact O-N 2.93Å; I242-K244 VanDerWaalsContact O-N 3.12Å
245L84.9Confident80.9Confident12 Ų1278.9 Ų78.96%0.06340%0.403CS..SBendtrans-69.9146.7179-66.7175.7000111I242 V247 R278 P281 L295 I308 L312I242-L245 WeakPolarHBondContact O-CB 3.41Å; I242-L245 PolarHBondContact O-N 2.87Å; I242-L245 VanDerWaalsContact O-N 3.08Å; L245-V247 PolarHBondContact O-N 2.69Å; L245-R278 HydrophobicContact CB-CG 4.13Å; L245-R278 PolarHBondContact O-NH1 3.23Å; L245-P281 HydrophobicContact CD2-CG 3.74Å; L245-L295 HydrophobicContact CD1-CD1 3.96Å; L245-I308 HydrophobicContact CD1-CD1 4.09Å; L245-L312 HydrophobicContact CD2-CD1 4.04Å; L245-L312 HydrophobicContact CD2-CD2 4.32Å
246Q85.9Confident80Confident126 Ų12680.7 Ų80.759%0.58941%0.405SS*.EExtended strand (participates in β ladder)trans-62.4128.1-178.2-174.9177.213.700110.8R278 I279Q246-R278 WeakPolarHBondContact O-CA 3.37Å; Q246-I279 HydrophobicContact CB-CB 4.35Å; Q246-I279 HydrophobicContact CG-CD1 4.4Å; Q246-I279 PolarHBondContact O-N 2.83Å
247V89.2Confident78.8Confident70 Ų7077.4 Ų77.442%0.42439%0.389SS..EExtended strand (participates in β ladder)trans-116.1132.7173.6179.10000108L245 V276 V277L245-V247 PolarHBondContact O-N 2.69Å; V247-V276 HydrophobicContact CG1-CG1 3.41Å; V247-V276 VanDerWaalsContact CG1-CG1 3.41Å; V247-V277 WeakPolarHBondContact CA-O 3.12Å
248R85.1Confident77.9Confident117 Ų11780.5 Ų80.544%0.44240%0.396SS..EExtended strand (participates in β ladder)trans-130.1139.7177.9-179.8177.4174.4150.7-1.1108.9D254 V277 I279R248-D254 IonicContact CZ-OD1 3.07Å; R248-D254 IonicContact CZ-OD2 3.29Å; R248-D254 IonicContact NE-OD2 3.15Å; R248-D254 VanDerWaalsContact NH2-CG 3.26Å; R248-D254 IonicContact NH2-OD1 3.52Å; R248-D254 PolarHBondContact NH2-OD1 2.77Å; R248-D254 IonicContact NH2-OD2 2.73Å; R248-D254 PolarHBondContact NH2-OD2 3.19Å; R248-D254 VanDerWaalsContact NH2-OD2 3.16Å; R248-V277 HydrophobicContact CB-CG2 4.23Å; R248-V277 PolarHBondContact N-O 2.88Å; R248-V277 VanDerWaalsContact O-CG2 3.29Å; R248-V277 WeakPolarHBondContact O-CG2 3.26Å; R248-V277 PolarHBondContact O-N 3.04Å; R248-I279 HydrophobicContact CB-CD1 4.48Å
249T85.9Confident76.7Confident72 Ų7286.1 Ų86.144%0.44243%0.433SS..EExtended strand (participates in β ladder)trans-94.4123.9167.4-53.20000108.1D275T249-D275 WeakPolarHBondContact CA-O 3.34Å
250L82.1Confident75.4Confident2 Ų288.1 Ų88.11%0.0145%0.449CS..PPolyproline II helixtrans-69.1131.6179.5-63.4179.4000109.9D254 E256 T257 Y271 N274 D275 V277L250-D254 WeakPolarHBondContact CA-OD2 3.49Å; L250-D254 HydrophobicContact CD2-CB 4.45Å; L250-E256 HydrophobicContact CD1-CB 4.28Å; L250-E256 HydrophobicContact CD2-CB 4.12Å; L250-E256 HydrophobicContact CD2-CG 4.25Å; L250-T257 HydrophobicContact CB-CG2 4.22Å; L250-T257 HydrophobicContact CD1-CG2 4.26Å; L250-Y271 HydrophobicContact CD1-CD1 4Å; L250-Y271 HydrophobicContact CD1-CG 3.81Å; L250-N274 WeakPolarHBondContact O-CA 3.17Å; L250-N274 PolarHBondContact O-N 3.36Å; L250-D275 HydrophobicContact CD1-CB 4.31Å; L250-D275 PolarHBondContact N-O 3.01Å; L250-V277 HydrophobicContact CD1-CG1 3.82Å; L250-V277 HydrophobicContact CD1-CG2 4.49Å; L250-V277 HydrophobicContact CD2-CG2 3.9Å; L250-V277 HydrophobicContact CG-CG1 4.09Å; L250-V277 HydrophobicContact CG-CG2 3.99Å
251K77.8Confident74.4Confident152 Ų15285.4 Ų85.466%0.66144%0.438SS*.PPolyproline II helixtrans-98.9155.6173.2-67.5-176.2179.7-178.90109.8G253 D254K251-G253 PolarHBondContact O-N 3.45Å; K251-G253 VanDerWaalsContact O-N 3.12Å; K251-D254 PolarHBondContact N-OD2 3.37Å; K251-D254 WeakPolarHBondContact O-CB 3.42Å; K251-D254 PolarHBondContact O-N 2.65Å
252K68.4Low73.7Confident194 Ų19491.1 Ų91.184%0.84347%0.468SS*.THydrogen-bonded Turntrans-60.8114.2175.3-169.4177-178.3-179.70109.3P273K252-P273 HydrophobicContact CB-CB 4.09Å
253G62.6Low73.6Confident60 Ų6094.2 Ų94.262%0.61948%0.484SS*.THydrogen-bonded Turntrans101.38.1-175.200000115.1K251K251-G253 PolarHBondContact O-N 3.45Å; K251-G253 VanDerWaalsContact O-N 3.12Å
254D70.4Confident73.9Confident27 Ų2790 Ų9014%0.14446%0.455CS..  trans-70.1146166.2-81.9-23.4000109.9R248 L250 K251 E256 T257R248-D254 IonicContact CZ-OD1 3.07Å; R248-D254 IonicContact CZ-OD2 3.29Å; R248-D254 IonicContact NE-OD2 3.15Å; R248-D254 VanDerWaalsContact NH2-CG 3.26Å; R248-D254 IonicContact NH2-OD1 3.52Å; R248-D254 PolarHBondContact NH2-OD1 2.77Å; R248-D254 IonicContact NH2-OD2 2.73Å; R248-D254 PolarHBondContact NH2-OD2 3.19Å; R248-D254 VanDerWaalsContact NH2-OD2 3.16Å; L250-D254 WeakPolarHBondContact CA-OD2 3.49Å; L250-D254 HydrophobicContact CD2-CB 4.45Å; K251-D254 PolarHBondContact N-OD2 3.37Å; K251-D254 WeakPolarHBondContact O-CB 3.42Å; K251-D254 PolarHBondContact O-N 2.65Å; D254-E256 PolarHBondContact O-N 3.09Å; D254-E256 VanDerWaalsContact O-N 3.09Å; D254-T257 PolarHBondContact N-OG1 3.2Å; D254-T257 PolarHBondContact O-N 3.3Å; D254-T257 PolarHBondContact O-OG1 3.04Å
255K64.6Low74Confident158 Ų15885.4 Ų85.469%0.68745%0.445SS*.G310 helixtrans-48.3-42.4-179.3-69-173.7177.9-174.10112.3T257 E258 F261K255-T257 PolarHBondContact O-N 2.04Å; K255-T257 VanDerWaalsContact O-N 3.15Å; K255-E258 PolarHBondContact O-N 2.85Å; K255-F261 HydrophobicContact CB-CD1 4.4Å; K255-F261 HydrophobicContact CB-CE1 3.76Å; K255-F261 HydrophobicContact CB-CE2 4.45Å; K255-F261 HydrophobicContact CB-CZ 3.77Å; K255-F261 HydrophobicContact CG-CZ 4.38Å; K255-F261 WeakPolarHBondContact O-CD1 3Å; K255-F261 WeakPolarHBondContact O-CD2 3.04Å; K255-F261 WeakPolarHBondContact O-CE2 3.28Å; K255-F261 WeakPolarHBondContact O-CG 3.34Å
256E62.7Low74.1Confident59 Ų5987.6 Ų87.628%0.27646%0.459SS..G310 helixtrans-68.2-9.1-179.4-47.8-63.3152.500115.1L250 D254 Y271L250-E256 HydrophobicContact CD1-CB 4.28Å; L250-E256 HydrophobicContact CD2-CB 4.12Å; L250-E256 HydrophobicContact CD2-CG 4.25Å; D254-E256 PolarHBondContact O-N 3.09Å; D254-E256 VanDerWaalsContact O-N 3.09Å; E256-Y271 HydrophobicContact CB-CD2 4.22Å; E256-Y271 WeakPolarHBondContact O-CB 3.38Å
257T60.4Low74.3Confident33 Ų3383.6 Ų83.620%0.20244%0.444CS..G310 helixtrans-99.1-218047.90000114.2L250 D254 K255L250-T257 HydrophobicContact CB-CG2 4.22Å; L250-T257 HydrophobicContact CD1-CG2 4.26Å; D254-T257 PolarHBondContact N-OG1 3.2Å; D254-T257 PolarHBondContact O-N 3.3Å; D254-T257 PolarHBondContact O-OG1 3.04Å; K255-T257 PolarHBondContact O-N 2.04Å; K255-T257 VanDerWaalsContact O-N 3.15Å
258E62.1Low74.2Confident106 Ų10686.4 Ų86.450%0.49546%0.455SS..SBendtrans-80.4146.9172.7-66.1-64.7148.100110.2K255 D260 F261K255-E258 PolarHBondContact O-N 2.85Å; E258-D260 PolarHBondContact O-N 2.91Å; E258-F261 HydrophobicContact CB-CD2 3.69Å; E258-F261 HydrophobicContact CB-CE2 3.93Å; E258-F261 HydrophobicContact CG-CE2 4.46Å; E258-F261 PolarHBondContact O-N 2.91Å
259P59Low74.3Confident118 Ų11886.1 Ų86.177%0.76646%0.459SS*.THydrogen-bonded Turntrans-65.5-11-173.326.7-35.1000114.9
260D59.4Low74.2Confident158 Ų15886.3 Ų86.385%0.84546%0.463SS*.THydrogen-bonded Turntrans-92.93179.4-71.5-18.8000113.8E258E258-D260 PolarHBondContact O-N 2.91Å
261F64.1Low74.3Confident86 Ų8687 Ų8738%0.37747%0.465SS..SBendtrans-102.7159.9-176.9-76.6-100.3000113.8K255 E258 N263K255-F261 HydrophobicContact CB-CD1 4.4Å; K255-F261 HydrophobicContact CB-CE1 3.76Å; K255-F261 HydrophobicContact CB-CE2 4.45Å; K255-F261 HydrophobicContact CB-CZ 3.77Å; K255-F261 HydrophobicContact CG-CZ 4.38Å; K255-F261 WeakPolarHBondContact O-CD1 3Å; K255-F261 WeakPolarHBondContact O-CD2 3.04Å; K255-F261 WeakPolarHBondContact O-CE2 3.28Å; K255-F261 WeakPolarHBondContact O-CG 3.34Å; E258-F261 HydrophobicContact CB-CD2 3.69Å; E258-F261 HydrophobicContact CB-CE2 3.93Å; E258-F261 HydrophobicContact CG-CE2 4.46Å; E258-F261 PolarHBondContact O-N 2.91Å; F261-N263 PolarHBondContact O-N 2.87Å
262D69.3Low74.6Confident121 Ų12185.5 Ų85.565%0.64746%0.459SS*.PPolyproline II helixtrans-56131.5-172.3-69.6-31.8000112.8Y271D262-Y271 VanDerWaalsContact O-CD2 3.24Å; D262-Y271 WeakPolarHBondContact O-CD2 3.32Å; D262-Y271 WeakPolarHBondContact O-CE2 3.35Å
263N85.3Confident75.1Confident70 Ų7079.3 Ų79.337%0.37444%0.438SS..PPolyproline II helixtrans-72.3158.6169.7-6651.7000111.1F261 A265 I268 C270F261-N263 PolarHBondContact O-N 2.87Å; N263-A265 PolarHBondContact O-N 3.46Å; N263-I268 PolarHBondContact ND2-O 2.86Å; N263-C270 PolarHBondContact ND2-N 2.96Å; N263-C270 PolarHBondContact ND2-SG 2.82Å
264C88.1Confident76.1Confident0 Ų082.4 Ų82.40%044%0.441CS..  trans-64110.8170.4177.80000110V266 C267 I268 E269 Y271 H287C264-V266 PolarHBondContact O-N 3.39Å; C264-C267 VanDerWaalsContact CB-SG 3.53Å; C264-C267 PolarHBondContact O-N 2.86Å; C264-I268 WeakPolarHBondContact O-CA 3.36Å; C264-I268 PolarHBondContact O-N 3.05Å; C264-E269 PolarHBondContact N-O 3.34Å; C264-Y271 WeakPolarHBondContact CA-OH 3.44Å; C264-Y271 HydrophobicContact CB-CE1 3.91Å; C264-H287 VanDerWaalsContact CB-ND1 3.35Å; C264-H287 WeakPolarHBondContact CB-ND1 3.21Å; C264-H287 PolarHBondContact SG-ND1 2.84Å; C264-H287 VanDerWaalsContact SG-ND1 3.39Å
265A86.9Confident76.9Confident53 Ų5382.9 Ų82.944%0.43844%0.443SS..THydrogen-bonded Turntrans-67.7-3.3-174.100000115.4N263 F286 M303N263-A265 PolarHBondContact O-N 3.46Å; A265-F286 HydrophobicContact CB-CE1 4.08Å; A265-M303 HydrophobicContact CB-CG 4.08Å; A265-M303 HydrophobicContact CB-SD 3.81Å
266V87.6Confident78Confident58 Ų5878.3 Ų78.335%0.35243%0.428SS..THydrogen-bonded Turntrans-93.1-45.1176.7-179.10000111.8C264 F286 C290 P302C264-V266 PolarHBondContact O-N 3.39Å; V266-F286 HydrophobicContact CG2-CD1 3.9Å; V266-F286 HydrophobicContact CG2-CE1 4.31Å; V266-C290 HydrophobicContact CB-CB 3.89Å; V266-C290 HydrophobicContact CG1-CB 3.82Å; V266-P302 HydrophobicContact CG2-CB 4.4Å; V266-P302 HydrophobicContact CG2-CG 3.98Å
267C88.7Confident79.3Confident41 Ų4175.5 Ų75.528%0.27742%0.415SS..THydrogen-bonded Turntrans-103.7-917861.50000113.8C264 E269 H287C264-C267 VanDerWaalsContact CB-SG 3.53Å; C264-C267 PolarHBondContact O-N 2.86Å; C267-E269 HydrophobicContact CB-CG 4.32Å; C267-E269 PolarHBondContact O-N 3.05Å; C267-E269 VanDerWaalsContact O-N 3.15Å; C267-H287 PolarHBondContact SG-ND1 3.25Å
268I88.6Confident80.8Confident130 Ų13074.4 Ų74.467%0.66741%0.407SS*.  trans66.17.3179.9-45171.9000112.7N263 C264N263-I268 PolarHBondContact ND2-O 2.86Å; C264-I268 WeakPolarHBondContact O-CA 3.36Å; C264-I268 PolarHBondContact O-N 3.05Å
269E87Confident82.1Confident111 Ų11171 Ų7152%0.51939%0.392SS..PPolyproline II helixtrans-82.7145.3179.6-60.5-174.117900112.5C264 C267C264-E269 PolarHBondContact N-O 3.34Å; C267-E269 HydrophobicContact CB-CG 4.32Å; C267-E269 PolarHBondContact O-N 3.05Å; C267-E269 VanDerWaalsContact O-N 3.15Å
270C84.1Confident83.6Confident76 Ų7665.5 Ų65.551%0.51436%0.356SS..PPolyproline II helixtrans-67145.2170.2-60.50000110.5N263N263-C270 PolarHBondContact ND2-N 2.96Å; N263-C270 PolarHBondContact ND2-SG 2.82Å
271Y84.2Confident84.8Confident15 Ų1560.7 Ų60.76%0.05933%0.334CS..PPolyproline II helixtrans-71.3137.3177-66.1-62.1000112.3L250 E256 D262 C264 V277 V285 F286 H287L250-Y271 HydrophobicContact CD1-CD1 4Å; L250-Y271 HydrophobicContact CD1-CG 3.81Å; E256-Y271 HydrophobicContact CB-CD2 4.22Å; E256-Y271 WeakPolarHBondContact O-CB 3.38Å; D262-Y271 VanDerWaalsContact O-CD2 3.24Å; D262-Y271 WeakPolarHBondContact O-CD2 3.32Å; D262-Y271 WeakPolarHBondContact O-CE2 3.35Å; C264-Y271 WeakPolarHBondContact CA-OH 3.44Å; C264-Y271 HydrophobicContact CB-CE1 3.91Å; Y271-V277 HydrophobicContact CD1-CG1 3.69Å; Y271-V277 HydrophobicContact CE1-CG1 3.61Å; Y271-V285 VanDerWaalsContact OH-C 3.25Å; Y271-V285 PolarHBondContact OH-O 3.35Å; Y271-F286 WeakPolarHBondContact OH-CA 3.39Å; Y271-H287 AromaticContact CD1-CE1 3.91Å; Y271-H287 AromaticContact CD1-NE2 3.56Å; Y271-H287 AromaticContact CE1-CE1 3.95Å; Y271-H287 AromaticContact CE1-NE2 3.91Å
272K82.8Confident86Confident122 Ų12258.1 Ų58.153%0.5333%0.326SS..  trans-110.3153.3178.4-66.7171.7-173.3165.10110.8N274 D275K272-N274 PolarHBondContact O-N 2.98Å; K272-D275 PolarHBondContact N-OD2 2.9Å; K272-D275 VanDerWaalsContact O-CB 3.24Å; K272-D275 WeakPolarHBondContact O-CB 3.31Å; K272-D275 PolarHBondContact O-N 3.5Å
273P80.3Confident86.9Confident63 Ų6362.5 Ų62.541%0.40933%0.333SS..THydrogen-bonded Turntrans-58.8138.3170.625.8-33.8000109.9K252 D275K252-P273 HydrophobicContact CB-CB 4.09Å; P273-D275 VanDerWaalsContact C-N 3.33Å
274N83.1Confident87Confident126 Ų12661.7 Ų61.767%0.67433%0.327SS*.THydrogen-bonded Turntrans75.64.3-170.8-52.5-38.6000116.3L250 K272L250-N274 WeakPolarHBondContact O-CA 3.17Å; L250-N274 PolarHBondContact O-N 3.36Å; K272-N274 PolarHBondContact O-N 2.98Å
275D86.4Confident87.1Confident36 Ų3663 Ų6319%0.19334%0.335CS..  trans-65.6137.1171.6-79.6-6.1000111.3T249 L250 K272 P273 V277 H287T249-D275 WeakPolarHBondContact CA-O 3.34Å; L250-D275 HydrophobicContact CD1-CB 4.31Å; L250-D275 PolarHBondContact N-O 3.01Å; K272-D275 PolarHBondContact N-OD2 2.9Å; K272-D275 VanDerWaalsContact O-CB 3.24Å; K272-D275 WeakPolarHBondContact O-CB 3.31Å; K272-D275 PolarHBondContact O-N 3.5Å; P273-D275 VanDerWaalsContact C-N 3.33Å; D275-V277 HydrophobicContact CB-CG1 4.5Å; D275-H287 IonicContact OD2-CD2 3.05Å; D275-H287 IonicContact OD2-CE1 3.78Å; D275-H287 IonicContact OD2-NE2 3.73Å; D275-H287 PolarHBondContact OD2-NE2 3.11Å
276V88.4Confident87.3Confident62 Ų6260.5 Ų60.538%0.37632%0.315SS..EExtended strand (participates in β ladder)trans-91.3106.1174.9-176.60000108.6V247 K288V247-V276 HydrophobicContact CG1-CG1 3.41Å; V247-V276 VanDerWaalsContact CG1-CG1 3.41Å; V276-K288 HydrophobicContact CG1-CB 4.03Å; V276-K288 HydrophobicContact CG1-CD 3.98Å; V276-K288 WeakPolarHBondContact O-CB 3Å; V276-K288 PolarHBondContact O-N 2.76Å
277V90.1Very high87.5Confident1 Ų158.8 Ų58.81%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-104.9149.2179.7-610000111.4V247 R248 L250 Y271 D275 V285 F286V247-V277 WeakPolarHBondContact CA-O 3.12Å; R248-V277 HydrophobicContact CB-CG2 4.23Å; R248-V277 PolarHBondContact N-O 2.88Å; R248-V277 VanDerWaalsContact O-CG2 3.29Å; R248-V277 WeakPolarHBondContact O-CG2 3.26Å; R248-V277 PolarHBondContact O-N 3.04Å; L250-V277 HydrophobicContact CD1-CG1 3.82Å; L250-V277 HydrophobicContact CD1-CG2 4.49Å; L250-V277 HydrophobicContact CD2-CG2 3.9Å; L250-V277 HydrophobicContact CG-CG1 4.09Å; L250-V277 HydrophobicContact CG-CG2 3.99Å; Y271-V277 HydrophobicContact CD1-CG1 3.69Å; Y271-V277 HydrophobicContact CE1-CG1 3.61Å; D275-V277 HydrophobicContact CB-CG1 4.5Å; V277-V285 HydrophobicContact CB-CG1 3.64Å; V277-V285 HydrophobicContact CG1-CG1 4.13Å; V277-V285 HydrophobicContact CG2-CG1 3.77Å; V277-F286 CarbonylContact C-O 3.46Å; V277-F286 WeakPolarHBondContact CA-O 3.26Å; V277-F286 WeakPolarHBondContact CB-O 3.37Å
278R90.6Very high87.6Confident9 Ų961.1 Ų61.13%0.03431%0.308CS..EExtended strand (participates in β ladder)trans-111.1133.1173.6-174.5178.2-63.2-90.719.8109.2I242 L245 Q246 L280 F286 V291 D292I242-R278 PolarHBondContact O-NH1 2.89Å; L245-R278 HydrophobicContact CB-CG 4.13Å; L245-R278 PolarHBondContact O-NH1 3.23Å; Q246-R278 WeakPolarHBondContact O-CA 3.37Å; R278-L280 HydrophobicContact CG-CD1 4.49Å; R278-F286 PolarHBondContact N-O 2.95Å; R278-F286 PolarHBondContact O-N 2.81Å; R278-F286 VanDerWaalsContact O-N 3.08Å; R278-V291 HydrophobicContact CB-CG1 3.93Å; R278-V291 HydrophobicContact CG-CG1 4.36Å; R278-D292 IonicContact CZ-OD1 2.82Å; R278-D292 IonicContact CZ-OD2 3.78Å; R278-D292 IonicContact NE-OD1 3.57Å; R278-D292 PolarHBondContact NE-OD1 2.73Å; R278-D292 IonicContact NE-OD2 3.16Å; R278-D292 VanDerWaalsContact NH2-CG 3.3Å; R278-D292 IonicContact NH2-OD1 2.96Å; R278-D292 PolarHBondContact NH2-OD1 3.49Å; R278-D292 IonicContact NH2-OD2 3.68Å; R278-D292 PolarHBondContact NH2-OD2 3.02Å
279I89.6Confident87.7Confident34 Ų3462.6 Ų62.617%0.17431%0.312CS..EExtended strand (participates in β ladder)trans-105.5120.5178.7-50.1177.7000107.7Q246 R248 V285Q246-I279 HydrophobicContact CB-CB 4.35Å; Q246-I279 HydrophobicContact CG-CD1 4.4Å; Q246-I279 PolarHBondContact O-N 2.83Å; R248-I279 HydrophobicContact CB-CD1 4.48Å; I279-V285 HydrophobicContact CG1-CG2 4.26Å
280L90Very high87.8Confident4 Ų458.7 Ų58.72%0.02130%0.297CS..  trans-80164.4177.5-8566.3000110.9R278 C282 R283 H284 F286 V291 L295 C301 I308R278-L280 HydrophobicContact CG-CD1 4.49Å; L280-C282 PolarHBondContact O-N 3.04Å; L280-C282 VanDerWaalsContact O-N 3.12Å; L280-R283 WeakPolarHBondContact O-CA 3.5Å; L280-R283 PolarHBondContact O-N 3.25Å; L280-H284 PolarHBondContact N-O 3Å; L280-F286 HydrophobicContact CD1-CD2 3.77Å; L280-F286 HydrophobicContact CD1-CE2 4Å; L280-F286 HydrophobicContact CD2-CE2 4.19Å; L280-V291 HydrophobicContact CD1-CG2 4.22Å; L280-L295 HydrophobicContact CD1-CD1 4.29Å; L280-L295 HydrophobicContact CD2-CD2 4.15Å; L280-L295 HydrophobicContact CG-CD1 4.48Å; L280-C301 HydrophobicContact CD2-CB 3.7Å; L280-I308 HydrophobicContact CD2-CG2 3.94Å; L280-I308 HydrophobicContact CG-CG2 4.19Å
281P86.4Confident88.2Confident57 Ų5755.1 Ų55.137%0.3727%0.272SS..THydrogen-bonded Turntrans-61.7-21.8177.7-23.135.8000114L245 R283 A311 L312L245-P281 HydrophobicContact CD2-CG 3.74Å; P281-R283 PolarHBondContact O-N 2.79Å; P281-A311 HydrophobicContact CB-CB 3.7Å; P281-A311 HydrophobicContact CG-CB 4.05Å; P281-L312 HydrophobicContact CG-CD2 4.33Å; P281-L312 HydrophobicContact CG-CG 4.33Å
282C88.1Confident88.4Confident31 Ų3155.7 Ų55.721%0.20928%0.276CS..THydrogen-bonded Turntrans-81.34.1172.357.50000114L280 H284 C301 I306L280-C282 PolarHBondContact O-N 3.04Å; L280-C282 VanDerWaalsContact O-N 3.12Å; C282-H284 VanDerWaalsContact C-N 3.28Å; C282-H284 PolarHBondContact O-N 2.98Å; C282-H284 PolarHBondContact SG-ND1 2.86Å; C282-H284 VanDerWaalsContact SG-ND1 3.37Å; C282-C301 VanDerWaalsContact SG-SG 3.62Å; C282-I306 HydrophobicContact CB-CD1 3.96Å
283R87.6Confident88.7Confident214 Ų21453.4 Ų53.481%0.80827%0.274SS*.  trans71.11.6-178.5-54.9-170.6174114.5-1117.2L280 P281L280-R283 WeakPolarHBondContact O-CA 3.5Å; L280-R283 PolarHBondContact O-N 3.25Å; P281-R283 PolarHBondContact O-N 2.79Å
284H89.2Confident89.2Confident52 Ų5255 Ų5524%0.24127%0.272CS..  trans-68.3139.1170-62.6125.7000111.9L280 C282 F286 C301 M303 C304L280-H284 PolarHBondContact N-O 3Å; C282-H284 VanDerWaalsContact C-N 3.28Å; C282-H284 PolarHBondContact O-N 2.98Å; C282-H284 PolarHBondContact SG-ND1 2.86Å; C282-H284 VanDerWaalsContact SG-ND1 3.37Å; H284-F286 HydrophobicContact CB-CE2 3.56Å; H284-F286 HydrophobicContact CB-CZ 3.82Å; H284-C301 PolarHBondContact ND1-SG 3.34Å; H284-M303 HydrophobicContact CB-CE 4.24Å; H284-M303 WeakPolarHBondContact CD2-CE 3.39Å; H284-M303 WeakPolarHBondContact NE2-CE 3.29Å; H284-C304 VanDerWaalsContact CE1-SG 3.53Å; H284-C304 PolarHBondContact ND1-SG 2.98Å
285V89.3Confident89.4Confident28 Ų2849 Ų4917%0.1724%0.24CC..EExtended strand (participates in β ladder)trans-108.6138.3-176.1-172.80000109Y271 V277 I279Y271-V285 VanDerWaalsContact OH-C 3.25Å; Y271-V285 PolarHBondContact OH-O 3.35Å; V277-V285 HydrophobicContact CB-CG1 3.64Å; V277-V285 HydrophobicContact CG1-CG1 4.13Å; V277-V285 HydrophobicContact CG2-CG1 3.77Å; I279-V285 HydrophobicContact CG1-CG2 4.26Å
286F91.4Very high89.3Confident1 Ų151.4 Ų51.40%0.00425%0.25CC..EExtended strand (participates in β ladder)trans-147.3158.8175.4-54-86.4000110A265 V266 Y271 V277 R278 L280 H284 K288 V291 P302 M303A265-F286 HydrophobicContact CB-CE1 4.08Å; V266-F286 HydrophobicContact CG2-CD1 3.9Å; V266-F286 HydrophobicContact CG2-CE1 4.31Å; Y271-F286 WeakPolarHBondContact OH-CA 3.39Å; V277-F286 CarbonylContact C-O 3.46Å; V277-F286 WeakPolarHBondContact CA-O 3.26Å; V277-F286 WeakPolarHBondContact CB-O 3.37Å; R278-F286 PolarHBondContact N-O 2.95Å; R278-F286 PolarHBondContact O-N 2.81Å; R278-F286 VanDerWaalsContact O-N 3.08Å; L280-F286 HydrophobicContact CD1-CD2 3.77Å; L280-F286 HydrophobicContact CD1-CE2 4Å; L280-F286 HydrophobicContact CD2-CE2 4.19Å; H284-F286 HydrophobicContact CB-CE2 3.56Å; H284-F286 HydrophobicContact CB-CZ 3.82Å; F286-K288 PolarHBondContact O-N 3.31Å; F286-V291 HydrophobicContact CB-CB 3.66Å; F286-V291 HydrophobicContact CB-CG1 4.06Å; F286-V291 HydrophobicContact CB-CG2 4.01Å; F286-V291 HydrophobicContact CD2-CB 4.27Å; F286-V291 HydrophobicContact CD2-CG2 3.68Å; F286-V291 HydrophobicContact CE2-CG2 4.29Å; F286-V291 HydrophobicContact CG-CB 4.07Å; F286-V291 HydrophobicContact CG-CG2 3.85Å; F286-P302 HydrophobicContact CE1-CB 4.23Å; F286-P302 HydrophobicContact CE1-CG 4.08Å; F286-P302 HydrophobicContact CZ-CB 4.27Å; F286-P302 HydrophobicContact CZ-CG 4.01Å; F286-M303 HydrophobicContact CE1-CG 4.05Å; F286-M303 HydrophobicContact CZ-CG 3.86Å
287H92.4Very high89.1Confident21 Ų2153.7 Ų53.710%0.09726%0.26CS..EExtended strand (participates in β ladder)trans-58.8135.8166.1-63111.9000110.6C264 C267 Y271 D275 H289 C290 V291C264-H287 VanDerWaalsContact CB-ND1 3.35Å; C264-H287 WeakPolarHBondContact CB-ND1 3.21Å; C264-H287 PolarHBondContact SG-ND1 2.84Å; C264-H287 VanDerWaalsContact SG-ND1 3.39Å; C267-H287 PolarHBondContact SG-ND1 3.25Å; Y271-H287 AromaticContact CD1-CE1 3.91Å; Y271-H287 AromaticContact CD1-NE2 3.56Å; Y271-H287 AromaticContact CE1-CE1 3.95Å; Y271-H287 AromaticContact CE1-NE2 3.91Å; D275-H287 IonicContact OD2-CD2 3.05Å; D275-H287 IonicContact OD2-CE1 3.78Å; D275-H287 IonicContact OD2-NE2 3.73Å; D275-H287 PolarHBondContact OD2-NE2 3.11Å; H287-H289 VanDerWaalsContact C-N 3.28Å; H287-H289 PolarHBondContact O-N 2.81Å; H287-C290 HydrophobicContact CB-CB 4.04Å; H287-C290 PolarHBondContact O-N 3.25Å; H287-V291 PolarHBondContact O-N 3.02Å
288K90.3Very high88.8Confident90 Ų9057.8 Ų57.839%0.39128%0.279SS..Hα-helixtrans-54.2-45.4179.9-178.9-168.6171.7-151.60111.6V276 F286 C290 D292V276-K288 HydrophobicContact CG1-CB 4.03Å; V276-K288 HydrophobicContact CG1-CD 3.98Å; V276-K288 WeakPolarHBondContact O-CB 3Å; V276-K288 PolarHBondContact O-N 2.76Å; F286-K288 PolarHBondContact O-N 3.31Å; K288-C290 VanDerWaalsContact C-N 3.29Å; K288-C290 PolarHBondContact O-N 3.47Å; K288-D292 WeakPolarHBondContact CE-OD2 3.5Å; K288-D292 WeakPolarHBondContact CG-OD2 3.31Å; K288-D292 VanDerWaalsContact O-CB 3.25Å; K288-D292 WeakPolarHBondContact O-CB 3.34Å; K288-D292 PolarHBondContact O-N 3.26Å; K288-D292 VanDerWaalsContact O-N 3.09Å
289H90.5Very high88.7Confident161 Ų16159.7 Ų59.775%0.74529%0.286SS*.Hα-helixtrans-67.5-28.7-179.3-172.764000113.1H287 P293H287-H289 VanDerWaalsContact C-N 3.28Å; H287-H289 PolarHBondContact O-N 2.81Å; H289-P293 WeakPolarHBondContact O-CD 3.4Å; H289-P293 WeakPolarHBondContact O-CG 3.3Å
290C89.5Confident88.7Confident30 Ų3059.7 Ų59.720%0.20329%0.288CS..Hα-helixtrans-78.8-41.4179.9-65.50000112V266 H287 K288V266-C290 HydrophobicContact CB-CB 3.89Å; V266-C290 HydrophobicContact CG1-CB 3.82Å; H287-C290 HydrophobicContact CB-CB 4.04Å; H287-C290 PolarHBondContact O-N 3.25Å; K288-C290 VanDerWaalsContact C-N 3.29Å; K288-C290 PolarHBondContact O-N 3.47Å
291V91.2Very high88.7Confident0 Ų059.6 Ų59.60%029%0.287CS..Hα-helixtrans-89.3-24.1-172.8820000113.6R278 L280 F286 H287 W294 L295 P302R278-V291 HydrophobicContact CB-CG1 3.93Å; R278-V291 HydrophobicContact CG-CG1 4.36Å; L280-V291 HydrophobicContact CD1-CG2 4.22Å; F286-V291 HydrophobicContact CB-CB 3.66Å; F286-V291 HydrophobicContact CB-CG1 4.06Å; F286-V291 HydrophobicContact CB-CG2 4.01Å; F286-V291 HydrophobicContact CD2-CB 4.27Å; F286-V291 HydrophobicContact CD2-CG2 3.68Å; F286-V291 HydrophobicContact CE2-CG2 4.29Å; F286-V291 HydrophobicContact CG-CB 4.07Å; F286-V291 HydrophobicContact CG-CG2 3.85Å; H287-V291 PolarHBondContact O-N 3.02Å; V291-W294 WeakPolarHBondContact O-CB 3.34Å; V291-W294 PolarHBondContact O-N 3.2Å; V291-L295 HydrophobicContact CG1-CD1 4.21Å; V291-L295 HydrophobicContact CG2-CD1 4.02Å; V291-L295 HydrophobicContact CG2-CG 4.07Å; V291-L295 WeakPolarHBondContact O-CB 3.27Å; V291-L295 VanDerWaalsContact O-CG 3.3Å; V291-L295 WeakPolarHBondContact O-CG 3.39Å; V291-L295 PolarHBondContact O-N 3.45Å; V291-P302 HydrophobicContact CG2-CG 4.34Å
292D89.9Confident88.9Confident27 Ų2758.6 Ų58.614%0.14428%0.281CS..Hα-helixtrans-62.9-42.9-178.7-77.42000113.9R278 K288 Q296R278-D292 IonicContact CZ-OD1 2.82Å; R278-D292 IonicContact CZ-OD2 3.78Å; R278-D292 IonicContact NE-OD1 3.57Å; R278-D292 PolarHBondContact NE-OD1 2.73Å; R278-D292 IonicContact NE-OD2 3.16Å; R278-D292 VanDerWaalsContact NH2-CG 3.3Å; R278-D292 IonicContact NH2-OD1 2.96Å; R278-D292 PolarHBondContact NH2-OD1 3.49Å; R278-D292 IonicContact NH2-OD2 3.68Å; R278-D292 PolarHBondContact NH2-OD2 3.02Å; K288-D292 WeakPolarHBondContact CE-OD2 3.5Å; K288-D292 WeakPolarHBondContact CG-OD2 3.31Å; K288-D292 VanDerWaalsContact O-CB 3.25Å; K288-D292 WeakPolarHBondContact O-CB 3.34Å; K288-D292 PolarHBondContact O-N 3.26Å; K288-D292 VanDerWaalsContact O-N 3.09Å; D292-Q296 WeakPolarHBondContact O-CG 3.26Å; D292-Q296 PolarHBondContact O-N 3.28Å; D292-Q296 PolarHBondContact O-NE2 3.48Å
293P89.4Confident88.8Confident74 Ų7461.5 Ų61.548%0.48129%0.292SS..Hα-helixtrans-63.6-41.9173.2-22.434.3000112.2H289 L295 Q296 D297H289-P293 WeakPolarHBondContact O-CD 3.4Å; H289-P293 WeakPolarHBondContact O-CG 3.3Å; P293-L295 PolarHBondContact O-N 3.25Å; P293-Q296 PolarHBondContact O-N 2.92Å; P293-D297 PolarHBondContact O-N 2.82Å
294W89.3Confident88.8Confident98 Ų9853.5 Ų53.537%0.37127%0.269SS..Hα-helixtrans-60.8-45.4178.1-179.7-83.4000112.3V291 Q296 D297 H298 T300 P302V291-W294 WeakPolarHBondContact O-CB 3.34Å; V291-W294 PolarHBondContact O-N 3.2Å; W294-Q296 VanDerWaalsContact C-N 3.29Å; W294-Q296 PolarHBondContact O-N 2.85Å; W294-D297 PolarHBondContact O-N 3.38Å; W294-H298 AromaticContact CD2-CD2 3.73Å; W294-H298 AromaticContact CE2-CD2 3.71Å; W294-H298 AromaticContact CE3-CD2 3.85Å; W294-H298 AromaticContact CH2-CD2 3.97Å; W294-H298 AromaticContact CZ2-CD2 3.85Å; W294-H298 AromaticContact CZ3-CD2 3.97Å; W294-H298 PolarHBondContact O-N 3.35Å; W294-T300 VanDerWaalsContact CD1-O 3.23Å; W294-T300 PolarHBondContact NE1-O 3.11Å; W294-P302 HydrophobicContact CD2-CG 4.16Å; W294-P302 HydrophobicContact CG-CG 4.02Å; W294-P302 HydrophobicContact CZ2-CB 4.48Å
295L88.1Confident88.8Confident0 Ų059.2 Ų59.20%029%0.293CS..Hα-helixtrans-70-24.3-179.1-69.6173.6000113.3I242 L245 L280 V291 P293 R299 T300 I308I242-L295 HydrophobicContact CD1-CB 3.55Å; I242-L295 HydrophobicContact CG1-CB 3.8Å; I242-L295 HydrophobicContact CG1-CD1 4.37Å; L245-L295 HydrophobicContact CD1-CD1 3.96Å; L280-L295 HydrophobicContact CD1-CD1 4.29Å; L280-L295 HydrophobicContact CD2-CD2 4.15Å; L280-L295 HydrophobicContact CG-CD1 4.48Å; V291-L295 HydrophobicContact CG1-CD1 4.21Å; V291-L295 HydrophobicContact CG2-CD1 4.02Å; V291-L295 HydrophobicContact CG2-CG 4.07Å; V291-L295 WeakPolarHBondContact O-CB 3.27Å; V291-L295 VanDerWaalsContact O-CG 3.3Å; V291-L295 WeakPolarHBondContact O-CG 3.39Å; V291-L295 PolarHBondContact O-N 3.45Å; P293-L295 PolarHBondContact O-N 3.25Å; L295-R299 VanDerWaalsContact O-CA 3.32Å; L295-R299 WeakPolarHBondContact O-CA 2.98Å; L295-R299 WeakPolarHBondContact O-CG 3.31Å; L295-R299 PolarHBondContact O-N 3.35Å; L295-T300 WeakPolarHBondContact CD2-O 3.44Å; L295-I308 HydrophobicContact CB-CD1 4.25Å; L295-I308 HydrophobicContact CD1-CD1 4.27Å; L295-I308 HydrophobicContact CD2-CD1 3.95Å; L295-I308 HydrophobicContact CD2-CG1 4.24Å; L295-I308 HydrophobicContact CD2-CG2 3.87Å; L295-I308 HydrophobicContact CG-CD1 4.38Å
296Q85.1Confident88.6Confident86 Ų8661.9 Ų61.940%0.40231%0.305SS..Hα-helixtrans-69.3-37.1175-76.8175.455.600112.1K239 I242 D292 P293 W294K239-Q296 HydrophobicContact CG-CG 4.34Å; I242-Q296 HydrophobicContact CD1-CG 3.74Å; D292-Q296 WeakPolarHBondContact O-CG 3.26Å; D292-Q296 PolarHBondContact O-N 3.28Å; D292-Q296 PolarHBondContact O-NE2 3.48Å; P293-Q296 PolarHBondContact O-N 2.92Å; W294-Q296 VanDerWaalsContact C-N 3.29Å; W294-Q296 PolarHBondContact O-N 2.85Å
297D82.9Confident88.4Confident109 Ų10963.6 Ų63.658%0.58332%0.315SS*.Hα-helixtrans-89.1-53.1-177.8-160.131.7000111.9P293 W294P293-D297 PolarHBondContact O-N 2.82Å; W294-D297 PolarHBondContact O-N 3.38Å
298H84.2Confident88.1Confident88 Ų8862.7 Ų62.741%0.40731%0.311SS..THydrogen-bonded Turntrans-96.6-23.6-170.8-60.1-54.7000114.3W294 T300W294-H298 AromaticContact CD2-CD2 3.73Å; W294-H298 AromaticContact CE2-CD2 3.71Å; W294-H298 AromaticContact CE3-CD2 3.85Å; W294-H298 AromaticContact CH2-CD2 3.97Å; W294-H298 AromaticContact CZ2-CD2 3.85Å; W294-H298 AromaticContact CZ3-CD2 3.97Å; W294-H298 PolarHBondContact O-N 3.35Å; H298-T300 WeakPolarHBondContact O-CG2 3.12Å; H298-T300 PolarHBondContact O-N 3.25Å; H298-T300 PolarHBondContact O-OG1 3.37Å
299R88.3Confident87.7Confident48 Ų4858.6 Ų58.618%0.18129%0.293CS..  trans56.817.6179.9-51.1157.9-167.1132.97.2113.7L234 A238 L295 N307 I308 L309L234-R299 VanDerWaalsContact CD2-CZ 3.44Å; A238-R299 HydrophobicContact CB-CG 4.2Å; L295-R299 VanDerWaalsContact O-CA 3.32Å; L295-R299 WeakPolarHBondContact O-CA 2.98Å; L295-R299 WeakPolarHBondContact O-CG 3.31Å; L295-R299 PolarHBondContact O-N 3.35Å; R299-N307 CarbonylContact O-C 3.59Å; R299-N307 VanDerWaalsContact O-CA 3.32Å; R299-N307 WeakPolarHBondContact O-CA 3.39Å; R299-I308 WeakPolarHBondContact O-CG1 3.37Å; R299-I308 PolarHBondContact O-N 3Å; R299-L309 HydrophobicContact CG-CD1 4.4Å
300T90.1Very high87.2Confident35 Ų3559.2 Ų59.222%0.21529%0.293CS..BIsolated β-bridgetrans-122.8151.6-177510000110.3W294 L295 H298 K305 I306 N307W294-T300 VanDerWaalsContact CD1-O 3.23Å; W294-T300 PolarHBondContact NE1-O 3.11Å; L295-T300 WeakPolarHBondContact CD2-O 3.44Å; H298-T300 WeakPolarHBondContact O-CG2 3.12Å; H298-T300 PolarHBondContact O-N 3.25Å; H298-T300 PolarHBondContact O-OG1 3.37Å; T300-K305 WeakPolarHBondContact CG2-O 3.27Å; T300-I306 WeakPolarHBondContact CA-O 3.41Å; T300-N307 HydrophobicContact CG2-CB 4.39Å
301C90.3Very high86.5Confident1 Ų160.3 Ų60.31%0.00730%0.304CS..  trans-65.2130.3170.6-179.70000110.4L280 C282 H284 M303 C304 K305 I306L280-C301 HydrophobicContact CD2-CB 3.7Å; C282-C301 VanDerWaalsContact SG-SG 3.62Å; H284-C301 PolarHBondContact ND1-SG 3.34Å; C301-M303 PolarHBondContact O-N 2.84Å; C301-M303 PolarHBondContact SG-N 2.98Å; C301-M303 VanDerWaalsContact SG-N 3.44Å; C301-C304 VanDerWaalsContact CB-SG 3.51Å; C301-C304 VanDerWaalsContact SG-SG 3.61Å; C301-K305 VanDerWaalsContact O-CA 3.25Å; C301-K305 WeakPolarHBondContact O-CA 3.22Å; C301-K305 PolarHBondContact O-N 3.42Å; C301-I306 PolarHBondContact N-O 3.13Å
302P89.4Confident85.8Confident36 Ų3663.5 Ų63.523%0.23432%0.321CS..THydrogen-bonded Turntrans-55.4-30.8174.6-24.731.2000114V266 F286 V291 W294V266-P302 HydrophobicContact CG2-CB 4.4Å; V266-P302 HydrophobicContact CG2-CG 3.98Å; F286-P302 HydrophobicContact CE1-CB 4.23Å; F286-P302 HydrophobicContact CE1-CG 4.08Å; F286-P302 HydrophobicContact CZ-CB 4.27Å; F286-P302 HydrophobicContact CZ-CG 4.01Å; V291-P302 HydrophobicContact CG2-CG 4.34Å; W294-P302 HydrophobicContact CD2-CG 4.16Å; W294-P302 HydrophobicContact CG-CG 4.02Å; W294-P302 HydrophobicContact CZ2-CB 4.48Å
303M87.3Confident84.9Confident92 Ų9265.4 Ų65.445%0.45335%0.347SS..THydrogen-bonded Turntrans-89-52.5-176.5-62-139.7-57.700113.3A265 H284 F286 C301A265-M303 HydrophobicContact CB-CG 4.08Å; A265-M303 HydrophobicContact CB-SD 3.81Å; H284-M303 HydrophobicContact CB-CE 4.24Å; H284-M303 WeakPolarHBondContact CD2-CE 3.39Å; H284-M303 WeakPolarHBondContact NE2-CE 3.29Å; F286-M303 HydrophobicContact CE1-CG 4.05Å; F286-M303 HydrophobicContact CZ-CG 3.86Å; C301-M303 PolarHBondContact O-N 2.84Å; C301-M303 PolarHBondContact SG-N 2.98Å; C301-M303 VanDerWaalsContact SG-N 3.44Å
304C87.4Confident84Confident47 Ų4765 Ų6532%0.31834%0.34SS..THydrogen-bonded Turntrans-107.32-173.461.90000115.1H284 C301 I306H284-C304 VanDerWaalsContact CE1-SG 3.53Å; H284-C304 PolarHBondContact ND1-SG 2.98Å; C301-C304 VanDerWaalsContact CB-SG 3.51Å; C301-C304 VanDerWaalsContact SG-SG 3.61Å; C304-I306 HydrophobicContact CB-CD1 4.35Å; C304-I306 HydrophobicContact CB-CG1 4.27Å; C304-I306 PolarHBondContact O-N 2.99Å
305K87.8Confident82.7Confident171 Ų17166.1 Ų66.174%0.74336%0.36SS*.  trans58.68.8-179.6-55.4-179.3-179.81790115.3T300 C301 N307T300-K305 WeakPolarHBondContact CG2-O 3.27Å; C301-K305 VanDerWaalsContact O-CA 3.25Å; C301-K305 WeakPolarHBondContact O-CA 3.22Å; C301-K305 PolarHBondContact O-N 3.42Å; K305-N307 PolarHBondContact O-N 3.5Å
306I86.8Confident81.3Confident84 Ų8469 Ų6943%0.43138%0.377SS..  trans-64.5129.6176.2-65.6175.6000109.6C282 T300 C301 C304 I308 A311C282-I306 HydrophobicContact CB-CD1 3.96Å; T300-I306 WeakPolarHBondContact CA-O 3.41Å; C301-I306 PolarHBondContact N-O 3.13Å; C304-I306 HydrophobicContact CB-CD1 4.35Å; C304-I306 HydrophobicContact CB-CG1 4.27Å; C304-I306 PolarHBondContact O-N 2.99Å; I306-I308 PolarHBondContact O-N 3.46Å; I306-A311 HydrophobicContact CG2-CB 4.49Å
307N86.1Confident79.6Confident38 Ų3869.6 Ų69.620%0.20339%0.391CS..BIsolated β-bridgetrans-74.5122.4177.8-170.4-59.2000111.2R299 T300 K305 L309 K310 A311R299-N307 CarbonylContact O-C 3.59Å; R299-N307 VanDerWaalsContact O-CA 3.32Å; R299-N307 WeakPolarHBondContact O-CA 3.39Å; T300-N307 HydrophobicContact CG2-CB 4.39Å; K305-N307 PolarHBondContact O-N 3.5Å; N307-L309 VanDerWaalsContact C-N 3.3Å; N307-L309 PolarHBondContact O-N 3.33Å; N307-L309 VanDerWaalsContact OD1-CB 3.29Å; N307-L309 WeakPolarHBondContact OD1-CB 3.31Å; N307-L309 PolarHBondContact OD1-N 3.38Å; N307-K310 HydrophobicContact CB-CB 4.27Å; N307-K310 PolarHBondContact O-N 3.35Å; N307-K310 PolarHBondContact OD1-N 3.07Å; N307-A311 PolarHBondContact O-N 3.1Å
308I85.4Confident77.9Confident2 Ų268.9 Ų68.91%0.0140%0.4CS..Hα-helixtrans-68.9-27.6-175.760.4156.1000112.9I242 L245 L280 L295 R299 I306 L312I242-I308 HydrophobicContact CG1-CD1 3.83Å; L245-I308 HydrophobicContact CD1-CD1 4.09Å; L280-I308 HydrophobicContact CD2-CG2 3.94Å; L280-I308 HydrophobicContact CG-CG2 4.19Å; L295-I308 HydrophobicContact CB-CD1 4.25Å; L295-I308 HydrophobicContact CD1-CD1 4.27Å; L295-I308 HydrophobicContact CD2-CD1 3.95Å; L295-I308 HydrophobicContact CD2-CG1 4.24Å; L295-I308 HydrophobicContact CD2-CG2 3.87Å; L295-I308 HydrophobicContact CG-CD1 4.38Å; R299-I308 WeakPolarHBondContact O-CG1 3.37Å; R299-I308 PolarHBondContact O-N 3Å; I306-I308 PolarHBondContact O-N 3.46Å; I308-L312 WeakPolarHBondContact O-CB 3.44Å; I308-L312 WeakPolarHBondContact O-CD1 3.41Å; I308-L312 VanDerWaalsContact O-CG 3.24Å; I308-L312 WeakPolarHBondContact O-CG 3.4Å; I308-L312 PolarHBondContact O-N 3.43Å; I308-L312 VanDerWaalsContact O-N 3.13Å
309L82.1Confident76.1Confident4 Ų472 Ų722%0.02142%0.42CS..Hα-helixtrans-72-41.7179.4-57.3-179.5000110.9L234 A241 R299 N307 L312 G313 I314 V316L234-L309 HydrophobicContact CD1-CD1 4.49Å; A241-L309 HydrophobicContact CB-CD2 3.31Å; R299-L309 HydrophobicContact CG-CD1 4.4Å; N307-L309 VanDerWaalsContact C-N 3.3Å; N307-L309 PolarHBondContact O-N 3.33Å; N307-L309 VanDerWaalsContact OD1-CB 3.29Å; N307-L309 WeakPolarHBondContact OD1-CB 3.31Å; N307-L309 PolarHBondContact OD1-N 3.38Å; L309-L312 PolarHBondContact O-N 2.99Å; L309-G313 PolarHBondContact O-N 2.87Å; L309-I314 HydrophobicContact CD2-CD1 4.31Å; L309-I314 PolarHBondContact O-N 3.48Å; L309-I314 VanDerWaalsContact O-N 3.14Å; L309-V316 HydrophobicContact CB-CG2 3.6Å; L309-V316 HydrophobicContact CD1-CG2 4.04Å; L309-V316 HydrophobicContact CG-CG2 4.48Å
310K80.1Confident74.2Confident174 Ų17473 Ų7376%0.75743%0.434SS*.Hα-helixtrans-63.5-41.6174.6-171.2175.9-178.91780111.3N307 L312 G313N307-K310 HydrophobicContact CB-CB 4.27Å; N307-K310 PolarHBondContact O-N 3.35Å; N307-K310 PolarHBondContact OD1-N 3.07Å; K310-L312 VanDerWaalsContact C-N 3.29Å; K310-L312 PolarHBondContact O-N 3.16Å; K310-G313 PolarHBondContact O-N 2.85Å
311A75.9Confident72Confident52 Ų5277.3 Ų77.343%0.4346%0.46SS..Hα-helixtrans-69.5-23.717900000113.8P281 I306 N307 G313P281-A311 HydrophobicContact CB-CB 3.7Å; P281-A311 HydrophobicContact CG-CB 4.05Å; I306-A311 HydrophobicContact CG2-CB 4.49Å; N307-A311 PolarHBondContact O-N 3.1Å; A311-G313 VanDerWaalsContact C-N 3.33Å
312L76.3Confident69.6Low68 Ų6882.2 Ų82.236%0.35649%0.494SS..THydrogen-bonded Turntrans-89.26.2175.1-69.7170.2000113.5A241 L245 P281 I308 L309 K310 I314A241-L312 HydrophobicContact CB-CD1 3.96Å; L245-L312 HydrophobicContact CD2-CD1 4.04Å; L245-L312 HydrophobicContact CD2-CD2 4.32Å; P281-L312 HydrophobicContact CG-CD2 4.33Å; P281-L312 HydrophobicContact CG-CG 4.33Å; I308-L312 WeakPolarHBondContact O-CB 3.44Å; I308-L312 WeakPolarHBondContact O-CD1 3.41Å; I308-L312 VanDerWaalsContact O-CG 3.24Å; I308-L312 WeakPolarHBondContact O-CG 3.4Å; I308-L312 PolarHBondContact O-N 3.43Å; I308-L312 VanDerWaalsContact O-N 3.13Å; L309-L312 PolarHBondContact O-N 2.99Å; K310-L312 VanDerWaalsContact C-N 3.29Å; K310-L312 PolarHBondContact O-N 3.16Å; L312-I314 VanDerWaalsContact C-N 3.26Å; L312-I314 HydrophobicContact CB-CD1 4.27Å; L312-I314 HydrophobicContact CB-CG1 4.31Å; L312-I314 PolarHBondContact O-N 3.48Å
313G70Confident67.1Low66 Ų6688.3 Ų88.368%0.6852%0.52SS*.THydrogen-bonded Turntrans70.417.9178.800000114.4L309 K310 A311L309-G313 PolarHBondContact O-N 2.87Å; K310-G313 PolarHBondContact O-N 2.85Å; A311-G313 VanDerWaalsContact C-N 3.33Å
314I72.1Confident64.7Low66 Ų6689.7 Ų89.734%0.33853%0.534SS..  trans-84.4119.8176.5-57.1171000107.2A241 L309 L312 V316A241-I314 HydrophobicContact CB-CD1 3.93Å; L309-I314 HydrophobicContact CD2-CD1 4.31Å; L309-I314 PolarHBondContact O-N 3.48Å; L309-I314 VanDerWaalsContact O-N 3.14Å; L312-I314 VanDerWaalsContact C-N 3.26Å; L312-I314 HydrophobicContact CB-CD1 4.27Å; L312-I314 HydrophobicContact CB-CG1 4.31Å; L312-I314 PolarHBondContact O-N 3.48Å; I314-V316 PolarHBondContact O-N 3.45Å
315P60.7Low62Low122 Ų12292 Ų9279%0.79255%0.548SS*.  trans-66.2104.3179.525.9-31.8000109S317P315-S317 PolarHBondContact O-N 2.68Å
316V59.8Low59.5Low59 Ų5990.1 Ų90.136%0.35855%0.553SS.*  trans-80.8108.9166.4-176.30000105.4L309 I314 A318L309-V316 HydrophobicContact CB-CG2 3.6Å; L309-V316 HydrophobicContact CD1-CG2 4.04Å; L309-V316 HydrophobicContact CG-CG2 4.48Å; I314-V316 PolarHBondContact O-N 3.45Å; V316-A318 PolarHBondContact O-N 2.75Å
317S48.6Very low56.8Low99 Ų9992.9 Ų92.969%0.69257%0.569SS**  trans-54.6124.4168.445.50000108.3P315 D319P315-S317 PolarHBondContact O-N 2.68Å; S317-D319 PolarHBondContact O-N 3.18Å
318A47.7Very low54.7Low94 Ų94100.8 Ų100.878%0.77760%0.597SS**SBendtrans-71.541.3-160.300000116V316V316-A318 PolarHBondContact O-N 2.75Å
319D46.9Very low52.1Low153 Ų153109.9 Ų109.982%0.81864%0.64SS**  trans-117.415.6-172.9-103.7-1.8000114.4S317S317-D319 PolarHBondContact O-N 3.18Å
320C47.8Very low49.8Very low70 Ų70115.7 Ų115.747%0.47368%0.676SS.*SBendtrans-136.831.5-176.5-71.80000114.7
321T43.3Very low47.7Very low125 Ų125112.1 Ų112.177%0.76767%0.673SS**  trans-125.971.6165.349.20000110.6
322S41.2Very low45.5Very low104 Ų104116.3 Ų116.373%0.72769%0.692SS**  trans-164.664.2156.853.90000110.6
323E36.3Very low43.3Very low164 Ų164116.4 Ų116.477%0.76671%0.71SS**  trans-111.170.1153.8-67.1-101.9-177.800106.1R227R227-E323 IonicContact NH2-OE1 3.1Å; R227-E323 PolarHBondContact NH2-OE1 3.37Å
324T35.8Very low41.3Very low122 Ų122116.9 Ų116.975%0.74872%0.715SS**  trans-109.9122154.3-9.50000104.7
325P32Very low39.8Very low96 Ų96119.5 Ų119.562%0.62374%0.736SS**  trans-57.7143.4173.4-16.228.7000109.1D327P325-D327 PolarHBondContact O-N 2.99Å
326P35.4Very low38.2Very low131 Ų131121.1 Ų121.185%0.85174%0.737SS**  trans-69.4101168.828.5-28.7000107.2Y328P326-Y328 PolarHBondContact O-N 2.74Å
327D29.5Very low36.8Very low142 Ų142124 Ų12476%0.75976%0.755SS**  trans-64.1122.8164.3-68.8-31.9000107.4P325 E329P325-D327 PolarHBondContact O-N 2.99Å; D327-E329 PolarHBondContact O-N 3.05Å
328Y41.3Very low36Very low204 Ų204126.5 Ų126.580%0.876%0.761SS**  trans-61.7120.2170.276.8-70.8000108.1P326P326-Y328 PolarHBondContact O-N 2.74Å
329E32.2Very low35.7Very low192 Ų192127.2 Ų127.290%0.89776%0.758SS**  trans-139.6129.6147.4-85.9-158143.600109.5D327D327-E329 PolarHBondContact O-N 3.05Å
330T32.4Very low34.8Very low127 Ų127127.2 Ų127.278%0.77976%0.756SS**  trans-84.4134-175.4-66.70000110.2
331S36.7Very low33.9Very low99 Ų99129 Ų12969%0.69277%0.769SS**  trans61.4122.3148.5-172.60000118.9
332V30.8Very low33.1Very low139 Ų139127.9 Ų127.984%0.84277%0.773SS**  175.3128.9108.9158.90000108.8
333G29.2Very low32.5Very low70 Ų70126.9 Ų126.972%0.72277%0.771SS**  trans10189.1139.700000119.6
334G28.3Very low32.3Very low77 Ų77124 Ų12479%0.79477%0.769SS**  69.7155.2125.600000121.3
335P40.7Very low32.1Very low120 Ų120126 Ų12678%0.77977%0.77SS**  trans-103.8158.5-15838.7-30.3000114.1
336L26.1Very low32.2Very low156 Ų156127.9 Ų127.982%0.81777%0.773SS**  trans-162.5140.2143.1-140.173.2000115
337T31.1Very low32.1Very low120 Ų120127.3 Ų127.374%0.73677%0.767SS**  trans72.5104148.751.10000121.8
338N31Very low32.1Very low152 Ų152126 Ų12681%0.81377%0.765SS**  trans-45.8156.2141.4-74.6-16.9000112
339P42.5Very low31.5Very low109 Ų109122.3 Ų122.371%0.70876%0.758SS**  -146.2142.37527.7-3.7000118.7
340I27.8Very low31.6Very low153 Ų153120.5 Ų120.579%0.78575%0.75SS**  61.7116.2123.5-50.8164.4000118
341S28.2Very low31.5Very low106 Ų106118.7 Ų118.774%0.74174%0.743SS**  179.9124.6108.2-78.50000113.1
342A26Very low31.2Very low103 Ų103118.8 Ų118.885%0.85174%0.743SS**  trans60.5136.3138.100000118.5
343A30.2Very low31Very low83 Ų83118.1 Ų118.169%0.68674%0.739SS**  cis-161.9156.324.600000111.2
344S31Very low31Very low104 Ų104120.3 Ų120.373%0.72774%0.738SS**  trans60.5135.7140.463.80000119.8
345E32.6Very low31Very low162 Ų162124.4 Ų124.476%0.75774%0.741SS**  cis-177.4152.82.4-118.6178.2170.900107.1
346I32.2Very low30.3Very low136 Ų136125.6 Ų125.670%0.69774%0.741SS**  trans72117.6143.3-64.7165.7000116.2
347T33.4Very low31.5Very low119 Ų119123.6 Ų123.673%0.7374%0.737SS**  cis-153.9131.732.230.70000108.2
348V29.8Very low31.4Very low116 Ų116122.5 Ų122.570%0.70374%0.741SS**  57.191.280.9-174.20000111.7
349N29.9Very low31.2Very low125 Ų125118.6 Ų118.667%0.66874%0.736SS**  92.6153.493.799.1-22.3000111.1
350E33.2Very low30.5Very low154 Ų154125.2 Ų125.272%0.7275%0.747SS**  cis-170.4154.1-3.9-131.1-169119.500108.5
351S30.8Very low30.4Very low90 Ų90123.7 Ų123.763%0.62974%0.744SS**  trans61.8142134.7-63.20000119.9
352S30.6Very low30.5Very low100 Ų100125.8 Ų125.870%0.69975%0.746SS**  cis-170.1138.321.233.20000107.9
353V26.8Very low30.4Very low126 Ų126127.3 Ų127.376%0.76474%0.739SS**  33.213395-134.30000113.5
354V28.3Very low30.2Very low116 Ų116129.6 Ų129.670%0.70374%0.74SS**  cis-169.214838.6-1560000104.8
355L27.8Very low30Very low162 Ų162131.5 Ų131.585%0.84874%0.736SS**  179.2137.370.3-91.5164000109.3
356D26Very low29.7Very low146 Ų146130.7 Ų130.778%0.78173%0.733SS**  trans-77.7-172.9164.1-136.66.7000109.2
357P53Low29.4Very low113 Ų113130.7 Ų130.773%0.73473%0.733SS**  cis-147.9-178.915.834.8-9.7000118.9
358A28Very low28.9Very low98 Ų98131.9 Ų131.981%0.8173%0.73SS**  trans113.2125.2140.600000115.6
359G26.3Very low28.6Very low69 Ų69133.3 Ų133.371%0.71173%0.729SS**  cis172.8176.6-0.100000112.3
360R29Very low28.2Very low249 Ų249136.1 Ų136.194%0.9473%0.732SS**  trans80.7140.6166.5-61-178176.1155.4-0.7117.8
361V26.3Very low27.9Very low120 Ų120135.5 Ų135.573%0.72773%0.729SS**  cis170.1130.7-33.7140.50000105.7
362I28.4Very low27.6Very low151 Ų151137.9 Ų137.977%0.77473%0.73SS**  trans72.198.4153.7-60.3165.1000120.6
363D24.1Very low27.2Very low134 Ų134139.6 Ų139.672%0.71774%0.737SS**  35.1138.398.5-141.922.2000125.8
364L26.7Very low27Very low132 Ų132138.8 Ų138.869%0.69173%0.732SS**  trans67.6123.3144.3-11883.7000126.6
365H26.4Very low26.8Very low143 Ų143139.3 Ų139.366%0.66274%0.741SS**  trans59.4120.4131.5-100.7-53000125.6
366Q27.1Very low26.7Very low146 Ų146140.2 Ų140.268%0.68274%0.741SS**  84.3137.2121.3-115.6175-26.500123.9
367L24.8Very low26.7Very low135 Ų135138.2 Ų138.271%0.70775%0.745SS**  trans97.8120.7142.1-66169.6000122.6
368H23.7Very low25.5Very low144 Ų144136 Ų13667%0.66774%0.742SS**  93.5131.5126.5-105.5-117.7000124.8
369H23.5Very low25.6Very low147 Ų147140.5 Ų140.568%0.68175%0.746SS**  trans62.5150.7148.4-84.2-49.1000120.9
370Y22.1Very low25.7Very low183 Ų183142.2 Ų142.272%0.71875%0.747SS**  cis177157.5-27.2-138.3-92.6000107.6
371Q25.7Very low25.4Very low141 Ų141138.8 Ų138.866%0.65974%0.741SS**  trans72.2145.9149.7-128.3133-9.600119.5
372E24.3Very low25.6Very low140 Ų140141.2 Ų141.265%0.65475%0.748SS**  cis-175.7157.1-16.6-124.6170.5172.900107.4
373T22.3Very low25.5Very low137 Ų137141.4 Ų141.484%0.8475%0.75SS**  trans174.4103.7131.937.60000106.2
374T24Very low25.6Very low109 Ų109139.9 Ų139.967%0.66976%0.755SS**  75.1110.469.8-47.70000114.9
375S23.2Very low25.5Very low127 Ų127138.7 Ų138.789%0.88876%0.758SS**  trans-154.9126.6131.262.50000109.9
376Q26.8Very low25.5Very low181 Ų181138 Ų13885%0.84677%0.768SS**  trans-125150.6-163.7-170.7-171.430.800108.8
377A25.9Very low25.5Very low104 Ų104139.3 Ų139.386%0.8677%0.774SS**  trans165133.514300000108.2
378G27.5Very low25.6Very low65 Ų65141 Ų14167%0.6778%0.784SS**  cis162.9118.94.400000105.8
379Q29.1Very low25.9Very low193 Ų193142.8 Ų142.890%0.90279%0.793SS**  67.2140.1111.9-81.9-179.98.800115.7
380S27.9Very low26.5Very low105 Ų105141 Ų14173%0.73479%0.794SS**  cis-169.9153.126.641.20000113.6
381H24.2Very low27.3Very low177 Ų177138.5 Ų138.582%0.81980%0.8SS**  trans-6.9151.8156.1-75.4-82.7000123.9
382I29.1Very low27.4Very low171 Ų171140.6 Ų140.688%0.87781%0.812SS**  -166.6153.2117.1-90156.9000111.7
383I27.3Very low27.7Very low156 Ų156139.6 Ų139.680%0.882%0.821SS**  trans-76.1147.4-172-63.1163.8000114.1
384A26.5Very low28Very low101 Ų101137.6 Ų137.684%0.83581%0.812SS**  trans-163.5132.6141.400000113
385S25Very low28.2Very low108 Ų108139.7 Ų139.776%0.75582%0.819SS**  trans-87.6152.5169.3-168.20000110
386C25.4Very low28.8Very low128 Ų128138.4 Ų138.487%0.86581%0.81SS**  trans-165.1116.1151.5-119.30000113.1
387E27.6Very low29Very low174 Ų174137.9 Ų137.981%0.81381%0.813SS**  trans-59.9154.8152.9-83.8158.6109.100111.5
388N27.3Very low29.3Very low170 Ų170139.4 Ų139.491%0.90981%0.812SS**  trans-151.5122.7150-101.3-13.5000111.3
389Q29.5Very low29.4Very low182 Ų182141.9 Ų141.985%0.8582%0.819SS**PPolyproline II helixtrans-89.4166.1166.6-114.7174.5-26.600110.7
390P35.6Very low29.6Very low109 Ų109137 Ų13771%0.70881%0.811SS**PPolyproline II helixtrans-90.3167.2-175.737.4-31.4000112.5
391P39Very low29.7Very low131 Ų131139.2 Ų139.285%0.85181%0.813SS**PPolyproline II helixtrans-90.3146.8179.234.8-30.6000113.3
392M28.4Very low29.9Very low185 Ų185137.9 Ų137.991%0.91181%0.812SS**PPolyproline II helixtrans-89.7150.6167.6-71.3-95.8-72.800110.6
393S29.5Very low29.9Very low119 Ų119134.3 Ų134.383%0.83280%0.802SS**  trans-136.1128152.659.10000109.3
394S29Very low30Very low95 Ų95133.9 Ų133.966%0.66481%0.806SS**  trans-77.6152.8175.5540000111.7
395D28.6Very low30.3Very low153 Ų153136 Ų13682%0.81880%0.804SS**  -166.2150.9110.4-84.7-13.4000110.6
396S36.4Very low30.5Very low99 Ų99135.9 Ų135.969%0.69281%0.809SS**  trans-95.8155-167.5-50.90000111
397D30.4Very low30.7Very low171 Ų171134.7 Ų134.791%0.91480%0.802SS**  -169.1147.9126.4-94.6-22.8000112.8
398T33.2Very low31Very low135 Ų135132 Ų13283%0.82880%0.797SS**  trans-118.3132-167.1-39.60000108.3
399S29.1Very low31.2Very low118 Ų118128.5 Ų128.583%0.82579%0.786SS**  trans-173.5122.1147.251.40000111.9
400A32.2Very low31.5Very low89 Ų89128.7 Ų128.774%0.73679%0.787SS**  trans-72.8159.6160.400000110.9
401I30.3Very low31.4Very low152 Ų152127.4 Ų127.478%0.77979%0.786SS**  167.6131.4129.2-88.5170000113.3
402L27.8Very low31Very low149 Ų149128.7 Ų128.778%0.7879%0.786SS**  trans62.9111.5149.1-72161.9000123.9
403S29.2Very low31.2Very low97 Ų97129.3 Ų129.368%0.67878%0.783SS**  16.1136.2119.9-43.10000121.2
404V31.2Very low31.8Very low147 Ų147129.6 Ų129.689%0.89178%0.782SS**  trans-148130.8131.2166.40000110.1
405D31Very low32Very low146 Ų146132.1 Ų132.178%0.78179%0.788SS**  trans-69.4159.7173.4-66.3-58.5000114.6
406A30.7Very low32.3Very low104 Ų104132.4 Ų132.486%0.8678%0.784SS**  trans-155.9106.7135.300000111.4
407S29.2Very low32Very low104 Ų104136.7 Ų136.773%0.72779%0.793SS**  trans-54.5164.516443.70000114.2
408V33.3Very low32.1Very low117 Ų117136.7 Ų136.771%0.70979%0.788SS**  173.4115.778.6159.40000106.5
409S32.1Very low31.9Very low97 Ų97139.4 Ų139.468%0.67879%0.791SS**  73.8158.610494.40000116.2
410E36.2Very low32.2Very low186 Ų186139.8 Ų139.887%0.86978%0.783SS**  cis-176.8-178.3-27.8-120.3-176.4133.900106
411A32.9Very low32.2Very low82 Ų82142.8 Ų142.868%0.67879%0.787SS**  trans85.3138.7162.100000117.5
412D29.8Very low32.4Very low158 Ų158139.5 Ų139.585%0.84578%0.783SS**  cis-165.5158.11.2-113.4-31.4000110
413F33.8Very low32.8Very low197 Ų197142.3 Ų142.386%0.86479%0.789SS**  trans-78.7165.8170-94.6-91.3000112.4
414P42Very low33Very low125 Ų125143 Ų14381%0.81279%0.793SS**  -139166.3121.119.62000116.6
415L33.2Very low33.6Very low148 Ų148146.9 Ų146.978%0.77579%0.792SS**  trans-84158.5-167.2-76.5155.3000116.7
416E34.3Very low34.3Very low159 Ų159147.8 Ų147.874%0.74380%0.797SS**  trans51.9132.3138.4-69.1176.3107.500122.9
417Q29.4Very low34.8Very low190 Ų190149.8 Ų149.889%0.88879%0.793SS**  -169.4129.7113.8-154.7101.111.400111.6
418E34.2Very low35.6Very low171 Ų171151.1 Ų151.180%0.79980%0.797SS**  trans-74.7152.7167.3-75.2175.4114.200113.3
419H28.8Very low36Very low192 Ų192155.5 Ų155.589%0.88983%0.83SS**  trans-153.6122.4142.3-143.352.7000112.5
420D34.7Very low36.2Very low125 Ų125158.4 Ų158.467%0.66884%0.838SS**  trans-68.5149.8164.1-81.6-51.2000111.6
421D32.3Very low36.2Very low153 Ų153156.9 Ų156.982%0.81884%0.836SS**  169.8125.3108.7-103.1-35.2000115
422A34.9Very low36.4Very low83 Ų83161.1 Ų161.169%0.68685%0.845SS**  trans32.312413600000124
423K35.3Very low36.8Very low208 Ų208161.3 Ų161.390%0.90485%0.845SS**  72.9112.7118.4-165.4173.1-170174.10120
424S34.2Very low37Very low111 Ų111159.1 Ų159.178%0.77684%0.844SS**  -167.2140.3118.5-163.90000112.7
425R42.9Very low36.6Very low229 Ų229161.3 Ų161.386%0.86485%0.846SS**  trans-65.7148.7158.7-77.5164.3146.9156.6-8.2109.2
426D45.5Very low36.9Very low164 Ų164162.3 Ų162.388%0.87785%0.851SS**  trans-161.1147.4131.1-97.1-26000112.6
427N42.3Very low37.1Very low147 Ų147162.5 Ų162.579%0.78686%0.859SS**  trans-76176.8-176.1-89-15.5000113.3
428T45.5Very low37.7Very low132 Ų132160.3 Ų160.381%0.8186%0.857SS**  trans89.6100.2155.257.50000118.6
429C41.7Very low38Very low208 Ų208159.3 Ų159.3100%1.40586%0.862SS**  -156086.6-910000110.2

Retrieved 429 of 429 residues in 160.7 ms (Link to these results)