A0A3Q0KPC5_SCHMA Loading...

C-1-tetrahydrofolate synthase, cytoplasmic

AlphaFold DB (A0A5K4EQZ6), UniProt , Accession A0A3Q0KPC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 334 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
1M58Low91Very high199 Ų19982.8 Ų82.898%0.9845%0.445SS*.  0154.20-65.6-179.2-156.500108.1P239M1-P239 HydrophobicContact CE-CB 4.19Å
2S78.5Confident91.5Very high113 Ų11376.9 Ų76.979%0.7941%0.413SS*.PPolyproline II helixtrans-61144.716756.90000109.5
3K88Confident92Very high138 Ų13871.1 Ų71.160%0.638%0.382SS*.PPolyproline II helixtrans-53.2146.5172.6-74.2-173.4174.2-1710111.1
4G95.7Very high92.4Very high14 Ų1471.8 Ų71.814%0.14438%0.381CS..PPolyproline II helixtrans-60.2166.7175.900000113.7I272 A275 K276G4-I272 PolarHBondContact N-O 3.15Å; G4-A275 WeakPolarHBondContact CA-O 3.3Å; G4-K276 WeakPolarHBondContact CA-O 2.8Å
5I97.7Very high92.6Very high99 Ų9973.4 Ų73.451%0.50840%0.395SS..EExtended strand (participates in β ladder)trans-91.5123.4-179.5-61.7167.8000109.7L7 K276 W277 I278I5-L7 HydrophobicContact CG2-CD2 4.45Å; I5-L7 PolarHBondContact O-N 3.36Å; I5-K276 PolarHBondContact N-O 2.74Å; I5-W277 WeakPolarHBondContact O-CA 3.38Å; I5-I278 PolarHBondContact O-N 3.08Å
6T98Very high92.9Very high67 Ų6770.4 Ų70.441%0.41138%0.38SS..EExtended strand (participates in β ladder)trans-73.3122.7173.1-53.60000111.1C8 F268 I272 I278 P280T6-C8 PolarHBondContact O-N 3.22Å; T6-F268 HydrophobicContact CG2-CE2 4.26Å; T6-F268 HydrophobicContact CG2-CZ 3.88Å; T6-I272 WeakPolarHBondContact OG1-CD1 3.33Å; T6-I278 CarbonylContact C-O 3.56Å; T6-I278 WeakPolarHBondContact CA-O 3.42Å; T6-P280 HydrophobicContact CG2-CB 3.92Å; T6-P280 HydrophobicContact CG2-CG 3.74Å
7L97.8Very high93.1Very high10 Ų1066.2 Ų66.25%0.05236%0.358CS..  trans-93.793-180-62.7-176.6000111.7I5 G9 F164 V168 L242 W277 I278 T279 P280I5-L7 HydrophobicContact CG2-CD2 4.45Å; I5-L7 PolarHBondContact O-N 3.36Å; L7-G9 PolarHBondContact O-N 3.21Å; L7-F164 HydrophobicContact CB-CD1 3.86Å; L7-F164 HydrophobicContact CB-CE1 3.77Å; L7-F164 HydrophobicContact CD1-CD1 3.9Å; L7-V168 HydrophobicContact CD1-CG1 3.72Å; L7-V168 HydrophobicContact CD2-CG1 3.59Å; L7-V168 HydrophobicContact CG-CG1 4.3Å; L7-L242 HydrophobicContact CD1-CD1 3.61Å; L7-W277 HydrophobicContact CD1-CB 3.78Å; L7-W277 HydrophobicContact CD1-CG 4.45Å; L7-W277 HydrophobicContact CD2-CB 4.34Å; L7-W277 HydrophobicContact CD2-CG 4.4Å; L7-W277 HydrophobicContact CG-CB 3.99Å; L7-I278 PolarHBondContact N-O 3.43Å; L7-T279 HydrophobicContact CB-CG2 4.07Å; L7-P280 WeakPolarHBondContact O-CD 3.03Å
8C97.2Very high93.3Very high67 Ų6768.8 Ų68.845%0.45337%0.367SS..  trans-74124.8175-173.80000111.2T6 Q10T6-C8 PolarHBondContact O-N 3.22Å; C8-Q10 PolarHBondContact O-N 3.49Å
9G97.8Very high93.4Very high0 Ų069.8 Ų69.80%037%0.368CS..Hα-helixtrans-71.3-15.5-179.300000114.5L7 Q11 I12 A13 G283 G284 V288L7-G9 PolarHBondContact O-N 3.21Å; G9-Q11 VanDerWaalsContact C-N 3.28Å; G9-Q11 PolarHBondContact O-N 3.1Å; G9-I12 PolarHBondContact O-N 3.35Å; G9-A13 WeakPolarHBondContact O-CB 3.46Å; G9-A13 PolarHBondContact O-N 3.47Å; G9-G283 PolarHBondContact N-O 2.91Å; G9-G284 WeakPolarHBondContact CA-O 3.27Å; G9-V288 WeakPolarHBondContact O-CG2 3.45Å
10Q96.9Very high93.5Very high85 Ų8566.5 Ų66.540%0.39735%0.35SS..Hα-helixtrans-61.4-36.1-176.7-172.75859.100112.6C8 Q14C8-Q10 PolarHBondContact O-N 3.49Å; Q10-Q14 WeakPolarHBondContact O-CB 3.44Å; Q10-Q14 WeakPolarHBondContact O-CG 3.44Å; Q10-Q14 PolarHBondContact O-N 3.24Å
11Q95.1Very high93.6Very high119 Ų11966.6 Ų66.656%0.55635%0.35SS*.Hα-helixtrans-68.1-48.2178.3-174.7177.91.900111G9 A13 Q14 T15G9-Q11 VanDerWaalsContact C-N 3.28Å; G9-Q11 PolarHBondContact O-N 3.1Å; Q11-A13 VanDerWaalsContact C-N 3.33Å; Q11-A13 PolarHBondContact O-N 3.36Å; Q11-Q14 WeakPolarHBondContact O-CB 3.37Å; Q11-Q14 PolarHBondContact O-N 3.48Å; Q11-Q14 VanDerWaalsContact O-N 3.15Å; Q11-T15 PolarHBondContact O-N 3.21Å; Q11-T15 PolarHBondContact O-OG1 2.96Å
12I97.4Very high95.4Very high12 Ų1260.8 Ų60.86%0.06233%0.33CS..Hα-helixtrans-60.3-45.1176.8-60176.2000110.2G9 Q14 T15 V16 A163 F164 H167 V288G9-I12 PolarHBondContact O-N 3.35Å; I12-Q14 VanDerWaalsContact C-N 3.28Å; I12-Q14 PolarHBondContact O-N 3.32Å; I12-T15 PolarHBondContact O-N 2.84Å; I12-V16 WeakPolarHBondContact O-CG2 3.3Å; I12-V16 PolarHBondContact O-N 3.13Å; I12-A163 HydrophobicContact CG2-CB 3.91Å; I12-F164 HydrophobicContact CD1-CD1 3.42Å; I12-F164 VanDerWaalsContact CD1-CD1 3.42Å; I12-F164 HydrophobicContact CD1-CE1 3.54Å; I12-F164 HydrophobicContact CD1-CG 3.96Å; I12-F164 HydrophobicContact CD1-CZ 4.13Å; I12-H167 HydrophobicContact CD1-CB 3.62Å; I12-H167 HydrophobicContact CG1-CB 4.1Å; I12-V288 HydrophobicContact CB-CG2 3.93Å; I12-V288 HydrophobicContact CG2-CG1 3.79Å; I12-V288 HydrophobicContact CG2-CG2 4.06Å
13A98Very high96.2Very high1 Ų156.9 Ų56.91%0.00830%0.3CS..Hα-helixtrans-60.2-37.2177.300000112.4G9 Q11 G17 F58 P287 A291G9-A13 WeakPolarHBondContact O-CB 3.46Å; G9-A13 PolarHBondContact O-N 3.47Å; Q11-A13 VanDerWaalsContact C-N 3.33Å; Q11-A13 PolarHBondContact O-N 3.36Å; A13-G17 PolarHBondContact O-N 3.09Å; A13-F58 HydrophobicContact CB-CE2 4.44Å; A13-P287 HydrophobicContact CB-CB 4.17Å; A13-P287 WeakPolarHBondContact CB-O 3.44Å; A13-A291 HydrophobicContact CB-CB 3.93Å
14Q97.4Very high96.6Very high81 Ų8151 Ų5138%0.37928%0.275SS..Hα-helixtrans-66.7-44.6174.6-761706.300112.1Q10 Q11 I12 V16 G17 Q18Q10-Q14 WeakPolarHBondContact O-CB 3.44Å; Q10-Q14 WeakPolarHBondContact O-CG 3.44Å; Q10-Q14 PolarHBondContact O-N 3.24Å; Q11-Q14 WeakPolarHBondContact O-CB 3.37Å; Q11-Q14 PolarHBondContact O-N 3.48Å; Q11-Q14 VanDerWaalsContact O-N 3.15Å; I12-Q14 VanDerWaalsContact C-N 3.28Å; I12-Q14 PolarHBondContact O-N 3.32Å; Q14-V16 VanDerWaalsContact C-N 3.33Å; Q14-V16 PolarHBondContact O-N 2.97Å; Q14-G17 CarbonylContact O-C 3.51Å; Q14-G17 WeakPolarHBondContact O-CA 3.45Å; Q14-G17 PolarHBondContact O-N 3.09Å; Q14-G17 VanDerWaalsContact O-N 3.14Å; Q14-Q18 WeakPolarHBondContact O-CG 3.48Å; Q14-Q18 PolarHBondContact O-N 3.45Å
15T96.2Very high96.7Very high96 Ų9652.9 Ų52.959%0.58929%0.29SS*.Hα-helixtrans-58.4-45.4176.5-58.60000111.3Q11 I12 G17 Q18 K19Q11-T15 PolarHBondContact O-N 3.21Å; Q11-T15 PolarHBondContact O-OG1 2.96Å; I12-T15 PolarHBondContact O-N 2.84Å; T15-G17 VanDerWaalsContact C-N 3.34Å; T15-G17 PolarHBondContact O-N 2.66Å; T15-Q18 PolarHBondContact O-N 2.86Å; T15-K19 PolarHBondContact O-N 3.08Å
16V96Very high96.6Very high25 Ų2553.2 Ų53.215%0.15229%0.285CS..Hα-helixtrans-62-43.8174.6175.10000110.9I12 Q14 Q18 K19 I20 A291 M292 R295I12-V16 WeakPolarHBondContact O-CG2 3.3Å; I12-V16 PolarHBondContact O-N 3.13Å; Q14-V16 VanDerWaalsContact C-N 3.33Å; Q14-V16 PolarHBondContact O-N 2.97Å; V16-Q18 VanDerWaalsContact C-N 3.35Å; V16-Q18 PolarHBondContact O-N 2.99Å; V16-K19 PolarHBondContact O-N 3.45Å; V16-I20 HydrophobicContact CG1-CD1 4.01Å; V16-I20 WeakPolarHBondContact O-CG1 3Å; V16-I20 PolarHBondContact O-N 2.84Å; V16-A291 HydrophobicContact CB-CB 3.97Å; V16-A291 HydrophobicContact CG1-CB 3.87Å; V16-M292 HydrophobicContact CG2-CE 3.84Å; V16-R295 HydrophobicContact CG1-CB 4.15Å
17G97.1Very high96.5Very high0 Ų050 Ų500%027%0.266CS..Hα-helixtrans-60.3-37.317700000114.3A13 Q14 T15 K19 I20 I21 Y62A13-G17 PolarHBondContact O-N 3.09Å; Q14-G17 CarbonylContact O-C 3.51Å; Q14-G17 WeakPolarHBondContact O-CA 3.45Å; Q14-G17 PolarHBondContact O-N 3.09Å; Q14-G17 VanDerWaalsContact O-N 3.14Å; T15-G17 VanDerWaalsContact C-N 3.34Å; T15-G17 PolarHBondContact O-N 2.66Å; G17-K19 PolarHBondContact O-N 3.3Å; G17-I20 WeakPolarHBondContact O-CB 3.21Å; G17-I20 PolarHBondContact O-N 2.67Å; G17-I21 PolarHBondContact O-N 3.45Å; G17-Y62 VanDerWaalsContact CA-CD1 3.46Å; G17-Y62 VanDerWaalsContact CA-CE1 3.41Å; G17-Y62 WeakPolarHBondContact O-CD1 3.37Å
18Q96.3Very high96.5Very high112 Ų11255.6 Ų55.652%0.52329%0.29SS..Hα-helixtrans-64.4-41.2176.5-68.5-56.7-20.800112Q14 T15 V16 I20 I21 S22Q14-Q18 WeakPolarHBondContact O-CG 3.48Å; Q14-Q18 PolarHBondContact O-N 3.45Å; T15-Q18 PolarHBondContact O-N 2.86Å; V16-Q18 VanDerWaalsContact C-N 3.35Å; V16-Q18 PolarHBondContact O-N 2.99Å; Q18-I20 VanDerWaalsContact C-N 3.31Å; Q18-I20 PolarHBondContact O-N 2.88Å; Q18-I21 PolarHBondContact O-N 3.28Å; Q18-S22 PolarHBondContact O-N 3.47Å
19K94.6Very high96.5Very high89 Ų8956.9 Ų56.939%0.38730%0.299SS..Hα-helixtrans-62.9-39.8173.7-179.9166176158.80112T15 V16 G17 I21 S22 D23 S313T15-K19 PolarHBondContact O-N 3.08Å; V16-K19 PolarHBondContact O-N 3.45Å; G17-K19 PolarHBondContact O-N 3.3Å; K19-I21 VanDerWaalsContact C-N 3.32Å; K19-I21 PolarHBondContact O-N 3.3Å; K19-S22 PolarHBondContact O-N 3.3Å; K19-D23 PolarHBondContact O-N 2.67Å; K19-S313 PolarHBondContact NZ-OG 3.42Å
20I96.4Very high96.5Very high3 Ų361.3 Ų61.32%0.01532%0.323CS..Hα-helixtrans-57.6-43.4175.2-75.7168.2000111.5V16 G17 Q18 S22 D23 V24 F58 I64 F294 R295 V298V16-I20 HydrophobicContact CG1-CD1 4.01Å; V16-I20 WeakPolarHBondContact O-CG1 3Å; V16-I20 PolarHBondContact O-N 2.84Å; G17-I20 WeakPolarHBondContact O-CB 3.21Å; G17-I20 PolarHBondContact O-N 2.67Å; Q18-I20 VanDerWaalsContact C-N 3.31Å; Q18-I20 PolarHBondContact O-N 2.88Å; I20-S22 VanDerWaalsContact C-N 3.33Å; I20-S22 PolarHBondContact O-N 2.84Å; I20-D23 PolarHBondContact O-N 2.85Å; I20-V24 HydrophobicContact CG2-CG2 4.03Å; I20-V24 WeakPolarHBondContact O-CB 3.25Å; I20-V24 VanDerWaalsContact O-CG2 3.23Å; I20-V24 WeakPolarHBondContact O-CG2 3.43Å; I20-V24 PolarHBondContact O-N 2.66Å; I20-F58 HydrophobicContact CD1-CE1 3.9Å; I20-F58 HydrophobicContact CD1-CZ 4.24Å; I20-I64 HydrophobicContact CG2-CD1 3.61Å; I20-I64 HydrophobicContact CG2-CG1 4.02Å; I20-F294 HydrophobicContact CD1-CB 3.86Å; I20-R295 HydrophobicContact CD1-CB 4.38Å; I20-V298 HydrophobicContact CG1-CG2 4.41Å; I20-V298 HydrophobicContact CG2-CG2 4.09Å
21I96Very high96.5Very high68 Ų6860.6 Ų60.635%0.34932%0.319SS..Hα-helixtrans-58-46.8178.5-75.9165.3000111.1G17 Q18 K19 D23 V24 A25 Y62G17-I21 PolarHBondContact O-N 3.45Å; Q18-I21 PolarHBondContact O-N 3.28Å; K19-I21 VanDerWaalsContact C-N 3.32Å; K19-I21 PolarHBondContact O-N 3.3Å; I21-D23 VanDerWaalsContact C-N 3.35Å; I21-D23 PolarHBondContact O-N 3.41Å; I21-V24 PolarHBondContact O-N 3.08Å; I21-A25 WeakPolarHBondContact O-CB 3.29Å; I21-A25 PolarHBondContact O-N 3.16Å; I21-Y62 HydrophobicContact CD1-CD1 3.54Å; I21-Y62 HydrophobicContact CD1-CE1 4.12Å; I21-Y62 HydrophobicContact CG1-CD1 3.8Å
22S94.8Very high96.6Very high78 Ų7861.7 Ų61.755%0.54533%0.328SS..Hα-helixtrans-61.8-43.8178.7-55.60000111.8Q18 K19 I20 A25 Y26Q18-S22 PolarHBondContact O-N 3.47Å; K19-S22 PolarHBondContact O-N 3.3Å; I20-S22 VanDerWaalsContact C-N 3.33Å; I20-S22 PolarHBondContact O-N 2.84Å; S22-A25 PolarHBondContact O-N 3.08Å; S22-Y26 WeakPolarHBondContact O-CB 3.42Å; S22-Y26 PolarHBondContact O-N 2.85Å
23D95.1Very high96.5Very high30 Ų3062.7 Ų62.716%0.1633%0.333CS..Hα-helixtrans-66.1-41.5178.7-75.2-28.3000112.4K19 I20 I21 Y26 L27 V298 K302K19-D23 PolarHBondContact O-N 2.67Å; I20-D23 PolarHBondContact O-N 2.85Å; I21-D23 VanDerWaalsContact C-N 3.35Å; I21-D23 PolarHBondContact O-N 3.41Å; D23-Y26 PolarHBondContact O-N 3.41Å; D23-L27 WeakPolarHBondContact O-CG 3.38Å; D23-L27 PolarHBondContact O-N 3.19Å; D23-V298 HydrophobicContact CB-CG1 3.55Å; D23-K302 VanDerWaalsContact CG-CE 3.5Å; D23-K302 WeakPolarHBondContact OD1-CE 3.21Å; D23-K302 IonicContact OD1-NZ 2.74Å; D23-K302 PolarHBondContact OD1-NZ 3.1Å; D23-K302 IonicContact OD2-NZ 3.84Å; D23-K302 PolarHBondContact OD2-NZ 3.37Å
24V97.3Very high96.5Very high14 Ų1464.7 Ų64.79%0.08535%0.347CS..Hα-helixtrans-62.8-45.5175.6167.80000110.6I20 I21 Y26 L27 K28 P35 G63 I64 V298I20-V24 HydrophobicContact CG2-CG2 4.03Å; I20-V24 WeakPolarHBondContact O-CB 3.25Å; I20-V24 VanDerWaalsContact O-CG2 3.23Å; I20-V24 WeakPolarHBondContact O-CG2 3.43Å; I20-V24 PolarHBondContact O-N 2.66Å; I21-V24 PolarHBondContact O-N 3.08Å; V24-Y26 VanDerWaalsContact C-N 3.32Å; V24-Y26 PolarHBondContact O-N 2.8Å; V24-L27 PolarHBondContact O-N 3.14Å; V24-K28 WeakPolarHBondContact O-CB 3.36Å; V24-K28 PolarHBondContact O-N 3.14Å; V24-P35 HydrophobicContact CG2-CG 4.11Å; V24-G63 WeakPolarHBondContact CG1-O 3.45Å; V24-I64 HydrophobicContact CG2-CG1 3.91Å; V24-V298 HydrophobicContact CG2-CG2 4.1Å
25A96.8Very high96.5Very high55 Ų5560.8 Ų60.846%0.45533%0.329SS..Hα-helixtrans-60.6-43.4177.800000111.4I21 S22 K28 S29I21-A25 WeakPolarHBondContact O-CB 3.29Å; I21-A25 PolarHBondContact O-N 3.16Å; S22-A25 PolarHBondContact O-N 3.08Å; A25-K28 PolarHBondContact O-N 3.33Å; A25-S29 PolarHBondContact O-N 3.31Å; A25-S29 PolarHBondContact O-OG 2.92Å; A25-S29 VanDerWaalsContact O-OG 3.07Å
26Y96.3Very high96.7Very high106 Ų10658.3 Ų58.342%0.41631%0.31SS..Hα-helixtrans-62.4-47.1177178.2-94000112.7S22 D23 V24 K28 S29 N30 F31 L307S22-Y26 WeakPolarHBondContact O-CB 3.42Å; S22-Y26 PolarHBondContact O-N 2.85Å; D23-Y26 PolarHBondContact O-N 3.41Å; V24-Y26 VanDerWaalsContact C-N 3.32Å; V24-Y26 PolarHBondContact O-N 2.8Å; Y26-K28 VanDerWaalsContact C-N 3.31Å; Y26-K28 PolarHBondContact O-N 2.86Å; Y26-S29 PolarHBondContact O-N 3.12Å; Y26-S29 PolarHBondContact O-OG 3.07Å; Y26-N30 WeakPolarHBondContact CD2-ND2 3.34Å; Y26-N30 VanDerWaalsContact CE2-ND2 3.32Å; Y26-N30 WeakPolarHBondContact CE2-ND2 3.4Å; Y26-N30 WeakPolarHBondContact O-CB 3.3Å; Y26-N30 PolarHBondContact O-N 3.23Å; Y26-N30 PolarHBondContact O-ND2 2.83Å; Y26-F31 HydrophobicContact CD1-CE2 4.44Å; Y26-F31 HydrophobicContact CE1-CD2 4.43Å; Y26-F31 AromaticContact CE1-CE2 3.68Å; Y26-F31 HydrophobicContact CE1-CE2 3.68Å; Y26-L307 HydrophobicContact CE1-CD1 3.8Å
27L96.9Very high96.8Very high0 Ų057.1 Ų57.10%030%0.303CS..Hα-helixtrans-61.5-40.8177-75.7172.6000111.9D23 V24 F31 N32 I33 P35 V298 A301 K302 V305 L307D23-L27 WeakPolarHBondContact O-CG 3.38Å; D23-L27 PolarHBondContact O-N 3.19Å; V24-L27 PolarHBondContact O-N 3.14Å; L27-F31 HydrophobicContact CD2-CD2 4.31Å; L27-F31 CarbonylContact O-C 3.59Å; L27-F31 WeakPolarHBondContact O-CA 3.39Å; L27-F31 WeakPolarHBondContact O-CB 3.38Å; L27-F31 PolarHBondContact O-N 3.48Å; L27-N32 PolarHBondContact O-N 2.85Å; L27-I33 CarbonylContact C-O 3.45Å; L27-I33 PolarHBondContact O-N 3.05Å; L27-P35 HydrophobicContact CD1-CG 3.63Å; L27-V298 HydrophobicContact CD1-CG1 4.3Å; L27-A301 HydrophobicContact CD1-CB 3.87Å; L27-K302 HydrophobicContact CD1-CG 4.05Å; L27-K302 HydrophobicContact CD2-CG 3.91Å; L27-K302 HydrophobicContact CG-CG 4.25Å; L27-V305 HydrophobicContact CD2-CG2 4.06Å; L27-L307 HydrophobicContact CD2-CD1 4.16Å
28K96.9Very high96.9Very high127 Ų12757.2 Ų57.255%0.55230%0.303SS*.Hα-helixtrans-67.5-43.9179.1-172.2173.5-179.61780112V24 A25 Y26 N32 I33V24-K28 WeakPolarHBondContact O-CB 3.36Å; V24-K28 PolarHBondContact O-N 3.14Å; A25-K28 PolarHBondContact O-N 3.33Å; Y26-K28 VanDerWaalsContact C-N 3.31Å; Y26-K28 PolarHBondContact O-N 2.86Å; K28-N32 VanDerWaalsContact O-CA 3.28Å; K28-N32 WeakPolarHBondContact O-CA 3.34Å; K28-N32 PolarHBondContact O-N 2.91Å; K28-I33 WeakPolarHBondContact CA-O 3.41Å; K28-I33 PolarHBondContact N-O 2.93Å
29S97.2Very high97Very high94 Ų9451.9 Ų51.966%0.65728%0.278SS*.Hα-helixtrans-76.2-36.2-176.560.30000113.8A25 Y26A25-S29 PolarHBondContact O-N 3.31Å; A25-S29 PolarHBondContact O-OG 2.92Å; A25-S29 VanDerWaalsContact O-OG 3.07Å; Y26-S29 PolarHBondContact O-N 3.12Å; Y26-S29 PolarHBondContact O-OG 3.07Å
30N97.5Very high97.1Very high92 Ų9247.7 Ų47.749%0.49226%0.261SS..Hα-helixtrans-96.6-25.5-173.9-64.7-85.7000113.6Y26Y26-N30 WeakPolarHBondContact CD2-ND2 3.34Å; Y26-N30 VanDerWaalsContact CE2-ND2 3.32Å; Y26-N30 WeakPolarHBondContact CE2-ND2 3.4Å; Y26-N30 WeakPolarHBondContact O-CB 3.3Å; Y26-N30 PolarHBondContact O-N 3.23Å; Y26-N30 PolarHBondContact O-ND2 2.83Å
31F97Very high97.2Very high71 Ų7147.7 Ų47.731%0.31126%0.26SS..Hα-helixtrans-127.8-1.9-174-57.6-88.6000113.5Y26 L27 I33 V305 L307Y26-F31 HydrophobicContact CD1-CE2 4.44Å; Y26-F31 HydrophobicContact CE1-CD2 4.43Å; Y26-F31 AromaticContact CE1-CE2 3.68Å; Y26-F31 HydrophobicContact CE1-CE2 3.68Å; L27-F31 HydrophobicContact CD2-CD2 4.31Å; L27-F31 CarbonylContact O-C 3.59Å; L27-F31 WeakPolarHBondContact O-CA 3.39Å; L27-F31 WeakPolarHBondContact O-CB 3.38Å; L27-F31 PolarHBondContact O-N 3.48Å; F31-I33 HydrophobicContact CB-CG1 4.27Å; F31-I33 PolarHBondContact O-N 2.87Å; F31-V305 HydrophobicContact CB-CG1 4.04Å; F31-V305 HydrophobicContact CD1-CB 3.62Å; F31-V305 HydrophobicContact CD1-CG1 3.92Å; F31-V305 HydrophobicContact CD1-CG2 3.89Å; F31-V305 HydrophobicContact CD2-CG2 4.32Å; F31-V305 HydrophobicContact CE1-CB 4.02Å; F31-V305 HydrophobicContact CE1-CG2 4.15Å; F31-V305 HydrophobicContact CG-CB 4.1Å; F31-V305 HydrophobicContact CG-CG1 4.15Å; F31-V305 HydrophobicContact CG-CG2 3.97Å; F31-L307 HydrophobicContact CD2-CD1 4.36Å; F31-L307 HydrophobicContact CE2-CD1 3.68Å; F31-L307 HydrophobicContact CE2-CD2 4.5Å; F31-L307 HydrophobicContact CE2-CG 4.37Å; F31-L307 HydrophobicContact CZ-CD1 3.89Å; F31-L307 HydrophobicContact CZ-CD2 3.99Å; F31-L307 HydrophobicContact CZ-CG 4.07Å
32N96.7Very high97.2Very high142 Ų14244.6 Ų44.676%0.75924%0.244SC*.  trans53.931.2-173.8-165.635.7000113.3L27 K28L27-N32 PolarHBondContact O-N 2.85Å; K28-N32 VanDerWaalsContact O-CA 3.28Å; K28-N32 WeakPolarHBondContact O-CA 3.34Å; K28-N32 PolarHBondContact O-N 2.91Å
33I96.5Very high97.2Very high32 Ų3241 Ų4116%0.16422%0.22CC..  trans-102.8134.1177.8-69.1-163.2000110.4L27 K28 F31 A301 V305L27-I33 CarbonylContact C-O 3.45Å; L27-I33 PolarHBondContact O-N 3.05Å; K28-I33 WeakPolarHBondContact CA-O 3.41Å; K28-I33 PolarHBondContact N-O 2.93Å; F31-I33 HydrophobicContact CB-CG1 4.27Å; F31-I33 PolarHBondContact O-N 2.87Å; I33-A301 HydrophobicContact CG2-CB 4.3Å; I33-V305 HydrophobicContact CD1-CG1 3.18Å; I33-V305 HydrophobicContact CG1-CG1 4.15Å
34S97.5Very high97Very high43 Ų4343.7 Ų43.730%0.30123%0.234SC..  trans-109.5113.8165.7-62.30000108.6K36S34-K36 PolarHBondContact O-N 3.2Å
35P98.5Very high96.6Very high0 Ų044.7 Ų44.70%024%0.239CC..  trans-52.9138.1176.6-28.437000111V24 L27 I64 L65 T297 V298 A301V24-P35 HydrophobicContact CG2-CG 4.11Å; L27-P35 HydrophobicContact CD1-CG 3.63Å; P35-I64 HydrophobicContact CB-CG2 4.29Å; P35-I64 WeakPolarHBondContact O-CG2 3.19Å; P35-L65 WeakPolarHBondContact O-CB 3.39Å; P35-L65 PolarHBondContact O-N 3.35Å; P35-T297 HydrophobicContact CB-CG2 4.49Å; P35-V298 HydrophobicContact CB-CG2 4.26Å; P35-V298 HydrophobicContact CG-CG2 4.23Å; P35-A301 HydrophobicContact CB-CB 3.88Å; P35-A301 HydrophobicContact CG-CB 3.75Å
36K98.7Very high95.9Very high44 Ų4447.3 Ų47.319%0.19125%0.252CS..EExtended strand (participates in β ladder)trans-137123-174.9-176.1-177173.7-168.70110.6S34 L65 D90 S92 V93 H94 G95S34-K36 PolarHBondContact O-N 3.2Å; K36-L65 CarbonylContact C-O 3.52Å; K36-L65 VanDerWaalsContact CA-O 3.29Å; K36-L65 WeakPolarHBondContact CA-O 3.38Å; K36-L65 HydrophobicContact CB-CB 3.99Å; K36-L65 HydrophobicContact CG-CB 3.96Å; K36-D90 IonicContact NZ-OD2 2.77Å; K36-S92 WeakPolarHBondContact CB-O 3.15Å; K36-S92 WeakPolarHBondContact CD-O 3.32Å; K36-S92 PolarHBondContact NZ-OG 2.86Å; K36-S92 VanDerWaalsContact NZ-OG 3.14Å; K36-V93 HydrophobicContact CD-CG2 3.98Å; K36-H94 PolarHBondContact N-ND1 3.1Å; K36-H94 PolarHBondContact O-N 3.46Å; K36-G95 PolarHBondContact O-N 3.48Å
37L98.8Very high95.1Very high0 Ų048.1 Ų48.10%026%0.259CS..EExtended strand (participates in β ladder)trans-101.4134.2170.3-179.459.7000109.5V39 L65 L66 S67 G95 T97 V123 L293 F294 T297L37-V39 HydrophobicContact CD2-CG2 4.44Å; L37-V39 HydrophobicContact CG-CG2 4.46Å; L37-L65 PolarHBondContact N-O 2.75Å; L37-L66 HydrophobicContact CD2-CD1 4.37Å; L37-L66 WeakPolarHBondContact O-CA 3.42Å; L37-S67 PolarHBondContact O-N 3.15Å; L37-G95 CarbonylContact C-O 3.53Å; L37-G95 WeakPolarHBondContact CA-O 3.41Å; L37-G95 WeakPolarHBondContact CD1-O 3.34Å; L37-T97 HydrophobicContact CD1-CG2 3.86Å; L37-T97 HydrophobicContact CD2-CG2 4.15Å; L37-T97 HydrophobicContact CG-CG2 4.14Å; L37-V123 HydrophobicContact CD1-CG2 3.62Å; L37-L293 HydrophobicContact CD2-CD2 3.82Å; L37-L293 HydrophobicContact CD2-CG 4Å; L37-F294 HydrophobicContact CB-CE1 4.28Å; L37-F294 HydrophobicContact CD2-CD1 4.24Å; L37-F294 HydrophobicContact CD2-CE1 3.61Å; L37-F294 HydrophobicContact CD2-CZ 3.9Å; L37-T297 HydrophobicContact CB-CG2 4.01Å
38V98.8Very high94.6Very high1 Ų148.3 Ų48.31%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-107.9120.7167.7-1770000109.2V40 S67 M69 L87 V93 G95 I96 T97V38-V40 HydrophobicContact CG1-CG2 4.21Å; V38-S67 CarbonylContact C-O 3.42Å; V38-S67 WeakPolarHBondContact CA-O 3.32Å; V38-M69 HydrophobicContact CG1-CB 4.35Å; V38-M69 HydrophobicContact CG1-CG 3.88Å; V38-M69 HydrophobicContact CG1-SD 3.7Å; V38-L87 HydrophobicContact CB-CD1 4.27Å; V38-L87 HydrophobicContact CB-CD2 4.35Å; V38-L87 HydrophobicContact CG1-CD1 3.75Å; V38-L87 HydrophobicContact CG1-CD2 4.1Å; V38-L87 HydrophobicContact CG2-CD2 4.02Å; V38-V93 HydrophobicContact CB-CG1 4.45Å; V38-V93 HydrophobicContact CG2-CB 4.4Å; V38-V93 HydrophobicContact CG2-CG1 3.79Å; V38-V93 HydrophobicContact CG2-CG2 3.66Å; V38-G95 PolarHBondContact N-O 3.05Å; V38-I96 WeakPolarHBondContact O-CA 3.47Å; V38-T97 PolarHBondContact O-N 2.92Å
39V98.3Very high94.2Very high0 Ų047.6 Ų47.60%026%0.257CS..EExtended strand (participates in β ladder)trans-93.7115.7172-176.10000107.9L37 I52 K55 L66 S67 M69 T97 Q99L37-V39 HydrophobicContact CD2-CG2 4.44Å; L37-V39 HydrophobicContact CG-CG2 4.46Å; V39-I52 HydrophobicContact CG1-CG1 4.35Å; V39-K55 HydrophobicContact CG2-CD 4.17Å; V39-L66 HydrophobicContact CG2-CD1 3.9Å; V39-L66 HydrophobicContact CG2-CD2 4.25Å; V39-L66 HydrophobicContact CG2-CG 4.12Å; V39-S67 PolarHBondContact N-O 3.2Å; V39-M69 PolarHBondContact O-N 3.5Å; V39-T97 HydrophobicContact CB-CG2 4.11Å; V39-T97 HydrophobicContact CG1-CG2 4.22Å; V39-T97 HydrophobicContact CG2-CG2 3.7Å; V39-Q99 HydrophobicContact CG1-CB 4.11Å
40V97.9Very high93.8Very high2 Ų248.2 Ų48.21%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-98.3116.1177.1175.90000108.9V38 M69 F71 L80 L87 I96 T97 L98 Q99V38-V40 HydrophobicContact CG1-CG2 4.21Å; V40-M69 WeakPolarHBondContact CA-O 3.24Å; V40-F71 HydrophobicContact CG1-CD2 4Å; V40-F71 HydrophobicContact CG1-CE2 3.78Å; V40-L80 HydrophobicContact CG1-CD1 3.75Å; V40-L87 HydrophobicContact CG2-CD1 3.83Å; V40-I96 HydrophobicContact CG2-CG2 4.3Å; V40-T97 PolarHBondContact N-O 3.36Å; V40-L98 HydrophobicContact CB-CD2 3.71Å; V40-L98 HydrophobicContact CG1-CD2 3.99Å; V40-L98 HydrophobicContact CG2-CD2 4.19Å; V40-Q99 PolarHBondContact O-N 3.05Å
41E96.9Very high93.3Very high3 Ų347.4 Ų47.41%0.01424%0.243CC..EExtended strand (participates in β ladder)trans-115.7134.5178-177-179-146.300109.7I52 H68 M69 R70 F71 Q99E41-I52 HydrophobicContact CB-CD1 4.34Å; E41-I52 VanDerWaalsContact CD-CD1 3.42Å; E41-I52 HydrophobicContact CG-CD1 4.23Å; E41-I52 WeakPolarHBondContact OE1-CD1 3.46Å; E41-I52 WeakPolarHBondContact OE2-CD1 3.37Å; E41-H68 IonicContact OE2-CE1 3.7Å; E41-H68 PolarHBondContact OE2-CE1 3.03Å; E41-H68 IonicContact OE2-NE2 3.31Å; E41-H68 PolarHBondContact OE2-NE2 3.04Å; E41-M69 PolarHBondContact N-O 2.86Å; E41-R70 CarbonylContact O-C 3.4Å; E41-R70 WeakPolarHBondContact O-CA 3.5Å; E41-R70 IonicContact OE1-NH2 2.85Å; E41-R70 IonicContact OE2-CZ 2.8Å; E41-R70 VanDerWaalsContact OE2-CZ 3.23Å; E41-R70 IonicContact OE2-NE 2.88Å; E41-R70 PolarHBondContact OE2-NE 2.82Å; E41-R70 IonicContact OE2-NH2 3.76Å; E41-R70 PolarHBondContact OE2-NH2 3.17Å; E41-F71 PolarHBondContact O-N 3.42Å; E41-Q99 HydrophobicContact CB-CB 4.22Å; E41-Q99 HydrophobicContact CG-CB 4.46Å
42V96.9Very high93.2Very high2 Ų244.4 Ų44.41%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-109123.2170.3179.70000108.1I75 L80 F102 D103 I108V42-I75 HydrophobicContact CG1-CG2 3.63Å; V42-I75 HydrophobicContact CG2-CG2 4.4Å; V42-L80 HydrophobicContact CG2-CD1 4.09Å; V42-L80 HydrophobicContact CG2-CD2 3.98Å; V42-F102 HydrophobicContact CB-CB 4.14Å; V42-F102 HydrophobicContact CB-CD1 3.85Å; V42-F102 HydrophobicContact CB-CE1 4.49Å; V42-F102 HydrophobicContact CB-CG 4.06Å; V42-F102 HydrophobicContact CG2-CD1 3.89Å; V42-F102 HydrophobicContact CG2-CE1 4.04Å; V42-F102 HydrophobicContact CG2-CG 4.24Å; V42-D103 CarbonylContact C-O 3.6Å; V42-D103 PolarHBondContact O-N 2.8Å; V42-I108 HydrophobicContact CG1-CD1 4.33Å
43G94.4Very high93.1Very high3 Ų341.2 Ų41.23%0.03121%0.211CC..SBendtrans78-150.1-174.300000112.8F71 S73 D103G43-F71 PolarHBondContact N-O 2.96Å; G43-S73 VanDerWaalsContact CA-OG 3.3Å; G43-S73 WeakPolarHBondContact CA-OG 3.41Å; G43-D103 VanDerWaalsContact CA-O 3.28Å; G43-D103 WeakPolarHBondContact CA-O 3.36Å; G43-D103 PolarHBondContact N-O 2.88Å
44N91.2Very high93.1Very high86 Ų8644.3 Ų44.346%0.4623%0.225SC..  trans-156.468.9-176-175.235.3000112P46 R70 D103N44-P46 WeakPolarHBondContact O-CD 3.35Å; N44-R70 PolarHBondContact OD1-NH2 3.38Å; N44-D103 PolarHBondContact N-OD2 2.79Å
45L87.9Confident93.1Very high35 Ų3542.3 Ų42.318%0.18321%0.211CC..  trans-72.3129.4178.1-65.2175.6000111.8Q47 S48 K49 P101 D103L45-Q47 HydrophobicContact CB-CG 4.02Å; L45-Q47 PolarHBondContact O-N 3.31Å; L45-Q47 VanDerWaalsContact O-N 3.16Å; L45-S48 WeakPolarHBondContact O-CB 3.39Å; L45-S48 PolarHBondContact O-N 2.8Å; L45-K49 PolarHBondContact O-N 2.9Å; L45-P101 HydrophobicContact CD1-CB 4.36Å; L45-P101 HydrophobicContact CD1-CG 3.58Å; L45-P101 WeakPolarHBondContact CD1-O 3.36Å; L45-D103 HydrophobicContact CD1-CB 4.01Å; L45-D103 HydrophobicContact CD2-CB 3.57Å; L45-D103 HydrophobicContact CG-CB 3.45Å; L45-D103 VanDerWaalsContact CG-CB 3.45Å
46P83.4Confident93.1Very high111 Ų11144.6 Ų44.672%0.72123%0.226SC*.Hα-helixtrans-54.4-37.4175.6-28.335.5000113.6N44 S48 K49N44-P46 WeakPolarHBondContact O-CD 3.35Å; P46-S48 VanDerWaalsContact C-N 3.34Å; P46-S48 PolarHBondContact O-N 2.88Å; P46-K49 WeakPolarHBondContact O-CB 3.19Å; P46-K49 PolarHBondContact O-N 3.03Å
47Q79.7Confident93.1Very high122 Ų12248.4 Ų48.457%0.5724%0.243SC*.Hα-helixtrans-67.3-30.5178.463.5-170.44.300113.5L45L45-Q47 HydrophobicContact CB-CG 4.02Å; L45-Q47 PolarHBondContact O-N 3.31Å; L45-Q47 VanDerWaalsContact O-N 3.16Å
48S86.7Confident93Very high5 Ų549.4 Ų49.44%0.03525%0.247CC..Hα-helixtrans-74.2-31.7177.2-65.20000111.8L45 P46 L50 Y51 I52L45-S48 WeakPolarHBondContact O-CB 3.39Å; L45-S48 PolarHBondContact O-N 2.8Å; P46-S48 VanDerWaalsContact C-N 3.34Å; P46-S48 PolarHBondContact O-N 2.88Å; S48-L50 PolarHBondContact O-N 2.86Å; S48-Y51 PolarHBondContact O-N 2.79Å; S48-I52 WeakPolarHBondContact O-CG1 3.44Å; S48-I52 PolarHBondContact O-N 2.83Å
49K88.6Confident93Very high112 Ų11249.4 Ų49.449%0.48725%0.248SC..Hα-helixtrans-53.9-49.3-175.8-171.5-177.8179.8-175.70112.7L45 P46 Y51 I52 E53L45-K49 PolarHBondContact O-N 2.9Å; P46-K49 WeakPolarHBondContact O-CB 3.19Å; P46-K49 PolarHBondContact O-N 3.03Å; K49-Y51 VanDerWaalsContact C-N 3.29Å; K49-Y51 PolarHBondContact O-N 3.05Å; K49-I52 PolarHBondContact O-N 3.01Å; K49-E53 WeakPolarHBondContact CE-OE1 3.47Å; K49-E53 WeakPolarHBondContact O-CB 3.31Å; K49-E53 WeakPolarHBondContact O-CG 3.43Å; K49-E53 PolarHBondContact O-N 3.38Å
50L87Confident93Very high106 Ų10658.2 Ų58.256%0.55529%0.286SS*.Hα-helixtrans-60.6-40.7179.3-70.6175.1000111.4S48 E53 Q54S48-L50 PolarHBondContact O-N 2.86Å; L50-E53 PolarHBondContact O-N 2.8Å; L50-Q54 VanDerWaalsContact O-CG 3.25Å; L50-Q54 WeakPolarHBondContact O-CG 3.27Å; L50-Q54 PolarHBondContact O-N 2.84Å
51Y88.7Confident93Very high76 Ų7663.9 Ų63.930%0.29831%0.311SS..Hα-helixtrans-69-42.4-179.3-158.6-111.4000111.9S48 K49 Q54 K55 I290S48-Y51 PolarHBondContact O-N 2.79Å; K49-Y51 VanDerWaalsContact C-N 3.29Å; K49-Y51 PolarHBondContact O-N 3.05Å; Y51-Q54 PolarHBondContact O-N 2.82Å; Y51-K55 HydrophobicContact CD1-CD 4.34Å; Y51-K55 VanDerWaalsContact CD1-CE 3.46Å; Y51-K55 HydrophobicContact CE1-CD 4.48Å; Y51-K55 WeakPolarHBondContact O-CG 3.22Å; Y51-K55 PolarHBondContact O-N 2.82Å; Y51-I290 HydrophobicContact CD2-CD1 4.19Å; Y51-I290 HydrophobicContact CE2-CD1 3.84Å; Y51-I290 HydrophobicContact CE2-CG1 3.85Å
52I94.5Very high93.1Very high8 Ų864 Ų644%0.04131%0.311CS..Hα-helixtrans-63.3-42.5174.1-60174.2000110.9V39 E41 S48 K49 Q54 K55 S56 Q99V39-I52 HydrophobicContact CG1-CG1 4.35Å; E41-I52 HydrophobicContact CB-CD1 4.34Å; E41-I52 VanDerWaalsContact CD-CD1 3.42Å; E41-I52 HydrophobicContact CG-CD1 4.23Å; E41-I52 WeakPolarHBondContact OE1-CD1 3.46Å; E41-I52 WeakPolarHBondContact OE2-CD1 3.37Å; S48-I52 WeakPolarHBondContact O-CG1 3.44Å; S48-I52 PolarHBondContact O-N 2.83Å; K49-I52 PolarHBondContact O-N 3.01Å; I52-Q54 VanDerWaalsContact C-N 3.31Å; I52-Q54 PolarHBondContact O-N 3.4Å; I52-K55 WeakPolarHBondContact O-CB 3.4Å; I52-K55 PolarHBondContact O-N 3.14Å; I52-S56 PolarHBondContact O-N 3Å; I52-S56 PolarHBondContact O-OG 3.48Å; I52-Q99 HydrophobicContact CD1-CG 3.98Å; I52-Q99 HydrophobicContact CG1-CG 4.04Å
53E95.1Very high93.1Very high74 Ų7466 Ų6635%0.34633%0.332SS..Hα-helixtrans-60.4-40.7176.1-77.2178.7-171.500112.1K49 L50 S56 K57K49-E53 WeakPolarHBondContact CE-OE1 3.47Å; K49-E53 WeakPolarHBondContact O-CB 3.31Å; K49-E53 WeakPolarHBondContact O-CG 3.43Å; K49-E53 PolarHBondContact O-N 3.38Å; L50-E53 PolarHBondContact O-N 2.8Å; E53-S56 PolarHBondContact O-N 3.26Å; E53-K57 WeakPolarHBondContact O-CB 3.24Å; E53-K57 WeakPolarHBondContact O-CG 3.39Å; E53-K57 PolarHBondContact O-N 2.91Å
54Q95.7Very high93.3Very high98 Ų9866.2 Ų66.246%0.45833%0.332SS..Hα-helixtrans-66.9-39.2175.4-65.8-64.5-1.400111.8L50 Y51 I52 K57 F58 I290L50-Q54 VanDerWaalsContact O-CG 3.25Å; L50-Q54 WeakPolarHBondContact O-CG 3.27Å; L50-Q54 PolarHBondContact O-N 2.84Å; Y51-Q54 PolarHBondContact O-N 2.82Å; I52-Q54 VanDerWaalsContact C-N 3.31Å; I52-Q54 PolarHBondContact O-N 3.4Å; Q54-K57 PolarHBondContact O-N 2.85Å; Q54-F58 WeakPolarHBondContact O-CB 3.39Å; Q54-F58 PolarHBondContact O-N 2.88Å; Q54-I290 HydrophobicContact CB-CD1 3.52Å
55K97.8Very high93.7Very high1 Ų166.5 Ų66.50%0.00433%0.333CS..Hα-helixtrans-57.6-50171.1-70.7173.7179.21750110.7V39 Y51 I52 K57 F58 A59 L66 I290 L293 F294V39-K55 HydrophobicContact CG2-CD 4.17Å; Y51-K55 HydrophobicContact CD1-CD 4.34Å; Y51-K55 VanDerWaalsContact CD1-CE 3.46Å; Y51-K55 HydrophobicContact CE1-CD 4.48Å; Y51-K55 WeakPolarHBondContact O-CG 3.22Å; Y51-K55 PolarHBondContact O-N 2.82Å; I52-K55 WeakPolarHBondContact O-CB 3.4Å; I52-K55 PolarHBondContact O-N 3.14Å; K55-K57 PolarHBondContact O-N 2.82Å; K55-F58 PolarHBondContact O-N 3.02Å; K55-A59 WeakPolarHBondContact O-CB 3.49Å; K55-A59 PolarHBondContact O-N 2.99Å; K55-L66 HydrophobicContact CB-CD1 3.95Å; K55-I290 HydrophobicContact CG-CG2 4.5Å; K55-L293 HydrophobicContact CD-CD2 4.03Å; K55-L293 HydrophobicContact CG-CD2 4.24Å; K55-F294 HydrophobicContact CB-CE2 4.25Å; K55-F294 HydrophobicContact CB-CZ 4.15Å; K55-F294 WeakPolarHBondContact O-CE2 3.34Å; K55-F294 WeakPolarHBondContact O-CZ 3.47Å
56S98Very high94.2Very high47 Ų4767 Ų6733%0.32934%0.336SS..Hα-helixtrans-60.8-43.1179.1-64.60000113I52 E53 K60I52-S56 PolarHBondContact O-N 3Å; I52-S56 PolarHBondContact O-OG 3.48Å; E53-S56 PolarHBondContact O-N 3.26Å; S56-K60 WeakPolarHBondContact O-CB 3.47Å; S56-K60 PolarHBondContact O-N 3.36Å
57K98Very high94.9Very high124 Ų12463.8 Ų63.854%0.53932%0.316SS..Hα-helixtrans-63-44175.9-75.7172.7-177.7169.90111.6E53 Q54 K55 K61E53-K57 WeakPolarHBondContact O-CB 3.24Å; E53-K57 WeakPolarHBondContact O-CG 3.39Å; E53-K57 PolarHBondContact O-N 2.91Å; Q54-K57 PolarHBondContact O-N 2.85Å; K55-K57 PolarHBondContact O-N 2.82Å; K57-K61 VanDerWaalsContact O-CB 3.23Å; K57-K61 WeakPolarHBondContact O-CB 3.41Å; K57-K61 PolarHBondContact O-N 2.93Å
58F98.4Very high95.7Very high21 Ų2161.1 Ų61.19%0.09230%0.304CS..Hα-helixtrans-64.3-49.2177.7-166.7-76000111.1A13 I20 Q54 K55 K60 K61 Y62 I290 A291 F294A13-F58 HydrophobicContact CB-CE2 4.44Å; I20-F58 HydrophobicContact CD1-CE1 3.9Å; I20-F58 HydrophobicContact CD1-CZ 4.24Å; Q54-F58 WeakPolarHBondContact O-CB 3.39Å; Q54-F58 PolarHBondContact O-N 2.88Å; K55-F58 PolarHBondContact O-N 3.02Å; F58-K60 PolarHBondContact O-N 2.86Å; F58-K61 PolarHBondContact O-N 2.86Å; F58-Y62 AromaticContact CD1-CD2 3.51Å; F58-Y62 HydrophobicContact CD1-CD2 3.51Å; F58-Y62 HydrophobicContact CD1-CE2 4.15Å; F58-Y62 HydrophobicContact CD1-CG 4.47Å; F58-Y62 AromaticContact CD2-CD2 3.91Å; F58-Y62 HydrophobicContact CD2-CD2 3.91Å; F58-Y62 AromaticContact CD2-CE2 3.67Å; F58-Y62 HydrophobicContact CD2-CE2 3.67Å; F58-Y62 AromaticContact CE1-CD2 3.35Å; F58-Y62 HydrophobicContact CE1-CD2 3.35Å; F58-Y62 AromaticContact CE1-CE2 3.93Å; F58-Y62 HydrophobicContact CE1-CE2 3.93Å; F58-Y62 HydrophobicContact CE1-CG 4.11Å; F58-Y62 AromaticContact CE2-CD2 3.76Å; F58-Y62 HydrophobicContact CE2-CD2 3.76Å; F58-Y62 AromaticContact CE2-CE2 3.41Å; F58-Y62 HydrophobicContact CE2-CE2 3.41Å; F58-Y62 VanDerWaalsContact CE2-CE2 3.41Å; F58-Y62 AromaticContact CG-CD2 3.79Å; F58-Y62 HydrophobicContact CG-CD2 3.79Å; F58-Y62 HydrophobicContact CG-CE2 4.03Å; F58-Y62 AromaticContact CZ-CD2 3.47Å; F58-Y62 HydrophobicContact CZ-CD2 3.47Å; F58-Y62 VanDerWaalsContact CZ-CD2 3.47Å; F58-Y62 AromaticContact CZ-CE2 3.55Å; F58-Y62 HydrophobicContact CZ-CE2 3.55Å; F58-Y62 HydrophobicContact CZ-CG 4.35Å; F58-Y62 VanDerWaalsContact O-CD2 3.28Å; F58-Y62 WeakPolarHBondContact O-CD2 3.41Å; F58-Y62 PolarHBondContact O-N 2.79Å; F58-I290 HydrophobicContact CB-CG2 3.87Å; F58-I290 HydrophobicContact CD2-CG2 4.15Å; F58-I290 HydrophobicContact CG-CG2 3.97Å; F58-A291 HydrophobicContact CE2-CB 3.65Å; F58-A291 HydrophobicContact CZ-CB 3.56Å; F58-F294 HydrophobicContact CB-CD2 4.08Å; F58-F294 HydrophobicContact CB-CE2 3.81Å; F58-F294 HydrophobicContact CD1-CB 3.94Å; F58-F294 AromaticContact CD1-CD2 3.13Å; F58-F294 HydrophobicContact CD1-CD2 3.13Å; F58-F294 AromaticContact CD1-CE2 3.74Å; F58-F294 HydrophobicContact CD1-CE2 3.74Å; F58-F294 AromaticContact CD1-CG 3.63Å; F58-F294 HydrophobicContact CD1-CG 3.63Å; F58-F294 HydrophobicContact CE1-CB 3.7Å; F58-F294 AromaticContact CE1-CD2 3.74Å; F58-F294 HydrophobicContact CE1-CD2 3.74Å; F58-F294 AromaticContact CE1-CG 3.94Å; F58-F294 HydrophobicContact CE1-CG 3.94Å; F58-F294 AromaticContact CG-CD2 3.79Å; F58-F294 HydrophobicContact CG-CD2 3.79Å; F58-F294 HydrophobicContact CG-CE2 4.06Å
59A98.5Very high96.2Very high2 Ų263.2 Ų63.22%0.01731%0.313CS..Hα-helixtrans-53.9-53.217800000111.6K55 K61 Y62 G63 I64 L66 F294K55-A59 WeakPolarHBondContact O-CB 3.49Å; K55-A59 PolarHBondContact O-N 2.99Å; A59-K61 VanDerWaalsContact C-N 3.33Å; A59-K61 PolarHBondContact O-N 2.93Å; A59-Y62 PolarHBondContact O-N 3.34Å; A59-G63 PolarHBondContact O-N 3.09Å; A59-I64 CarbonylContact C-O 3.53Å; A59-I64 HydrophobicContact CB-CB 4.48Å; A59-I64 WeakPolarHBondContact CB-O 3.43Å; A59-I64 PolarHBondContact O-N 3.32Å; A59-L66 HydrophobicContact CB-CB 3.68Å; A59-L66 HydrophobicContact CB-CD1 4.03Å; A59-F294 HydrophobicContact CB-CD1 4.47Å; A59-F294 HydrophobicContact CB-CE1 3.55Å; A59-F294 HydrophobicContact CB-CZ 3.63Å
60K98.1Very high96.6Very high184 Ų18463.7 Ų63.780%0.831%0.312SS*.Hα-helixtrans-58.8-43.3178.3-177.1177.5179.9177.90111.9S56 F58 Y62S56-K60 WeakPolarHBondContact O-CB 3.47Å; S56-K60 PolarHBondContact O-N 3.36Å; F58-K60 PolarHBondContact O-N 2.86Å; K60-Y62 PolarHBondContact O-N 3.41Å
61K98.1Very high97.1Very high122 Ų12259.5 Ų59.553%0.5329%0.29SS..Hα-helixtrans-64.9-37.8-178-178174.9-179.9-176.20112.7K57 F58 A59K57-K61 VanDerWaalsContact O-CB 3.23Å; K57-K61 WeakPolarHBondContact O-CB 3.41Å; K57-K61 PolarHBondContact O-N 2.93Å; F58-K61 PolarHBondContact O-N 2.86Å; A59-K61 VanDerWaalsContact C-N 3.33Å; A59-K61 PolarHBondContact O-N 2.93Å
62Y98Very high97.4Very high4 Ų459.9 Ų59.92%0.01630%0.301CS..THydrogen-bonded Turntrans-107.315.2-173.5-60.4-71.8000113.6G17 I21 F58 A59 K60G17-Y62 VanDerWaalsContact CA-CD1 3.46Å; G17-Y62 VanDerWaalsContact CA-CE1 3.41Å; G17-Y62 WeakPolarHBondContact O-CD1 3.37Å; I21-Y62 HydrophobicContact CD1-CD1 3.54Å; I21-Y62 HydrophobicContact CD1-CE1 4.12Å; I21-Y62 HydrophobicContact CG1-CD1 3.8Å; F58-Y62 AromaticContact CD1-CD2 3.51Å; F58-Y62 HydrophobicContact CD1-CD2 3.51Å; F58-Y62 HydrophobicContact CD1-CE2 4.15Å; F58-Y62 HydrophobicContact CD1-CG 4.47Å; F58-Y62 AromaticContact CD2-CD2 3.91Å; F58-Y62 HydrophobicContact CD2-CD2 3.91Å; F58-Y62 AromaticContact CD2-CE2 3.67Å; F58-Y62 HydrophobicContact CD2-CE2 3.67Å; F58-Y62 AromaticContact CE1-CD2 3.35Å; F58-Y62 HydrophobicContact CE1-CD2 3.35Å; F58-Y62 AromaticContact CE1-CE2 3.93Å; F58-Y62 HydrophobicContact CE1-CE2 3.93Å; F58-Y62 HydrophobicContact CE1-CG 4.11Å; F58-Y62 AromaticContact CE2-CD2 3.76Å; F58-Y62 HydrophobicContact CE2-CD2 3.76Å; F58-Y62 AromaticContact CE2-CE2 3.41Å; F58-Y62 HydrophobicContact CE2-CE2 3.41Å; F58-Y62 VanDerWaalsContact CE2-CE2 3.41Å; F58-Y62 AromaticContact CG-CD2 3.79Å; F58-Y62 HydrophobicContact CG-CD2 3.79Å; F58-Y62 HydrophobicContact CG-CE2 4.03Å; F58-Y62 AromaticContact CZ-CD2 3.47Å; F58-Y62 HydrophobicContact CZ-CD2 3.47Å; F58-Y62 VanDerWaalsContact CZ-CD2 3.47Å; F58-Y62 AromaticContact CZ-CE2 3.55Å; F58-Y62 HydrophobicContact CZ-CE2 3.55Å; F58-Y62 HydrophobicContact CZ-CG 4.35Å; F58-Y62 VanDerWaalsContact O-CD2 3.28Å; F58-Y62 WeakPolarHBondContact O-CD2 3.41Å; F58-Y62 PolarHBondContact O-N 2.79Å; A59-Y62 PolarHBondContact O-N 3.34Å; K60-Y62 PolarHBondContact O-N 3.41Å
63G97.5Very high97.4Very high44 Ų4460.9 Ų60.945%0.45431%0.309SS..THydrogen-bonded Turntrans77.718.9169.300000115.7V24 A59V24-G63 WeakPolarHBondContact CG1-O 3.45Å; A59-G63 PolarHBondContact O-N 3.09Å
64I98.5Very high97.4Very high8 Ų864.1 Ų64.14%0.04132%0.324CS..  trans-94.9137.2176.6-60.4174.9000109.4I20 V24 P35 A59 F294 T297 V298I20-I64 HydrophobicContact CG2-CD1 3.61Å; I20-I64 HydrophobicContact CG2-CG1 4.02Å; V24-I64 HydrophobicContact CG2-CG1 3.91Å; P35-I64 HydrophobicContact CB-CG2 4.29Å; P35-I64 WeakPolarHBondContact O-CG2 3.19Å; A59-I64 CarbonylContact C-O 3.53Å; A59-I64 HydrophobicContact CB-CB 4.48Å; A59-I64 WeakPolarHBondContact CB-O 3.43Å; A59-I64 PolarHBondContact O-N 3.32Å; I64-F294 HydrophobicContact CB-CD1 4.19Å; I64-F294 HydrophobicContact CD1-CB 3.65Å; I64-F294 HydrophobicContact CD1-CD1 3.55Å; I64-F294 HydrophobicContact CD1-CG 3.96Å; I64-F294 HydrophobicContact CG1-CD1 4.48Å; I64-F294 HydrophobicContact CG2-CD1 3.95Å; I64-F294 HydrophobicContact CG2-CE1 4.18Å; I64-T297 HydrophobicContact CG2-CG2 4.31Å; I64-V298 HydrophobicContact CD1-CG2 3.69Å; I64-V298 HydrophobicContact CG1-CG2 4.24Å
65L98.6Very high97.4Very high93 Ų9359.8 Ų59.849%0.48730%0.304SS..EExtended strand (participates in β ladder)trans-72.2132.3172.8-59.5178000109.5P35 K36 L37P35-L65 WeakPolarHBondContact O-CB 3.39Å; P35-L65 PolarHBondContact O-N 3.35Å; K36-L65 CarbonylContact C-O 3.52Å; K36-L65 VanDerWaalsContact CA-O 3.29Å; K36-L65 WeakPolarHBondContact CA-O 3.38Å; K36-L65 HydrophobicContact CB-CB 3.99Å; K36-L65 HydrophobicContact CG-CB 3.96Å; L37-L65 PolarHBondContact N-O 2.75Å
66L98.6Very high97.2Very high44 Ų4463 Ų6323%0.2333%0.325CS..EExtended strand (participates in β ladder)trans-125.1125.8172.2-174.5148.1000109.5L37 V39 K55 A59 H68 F294L37-L66 HydrophobicContact CD2-CD1 4.37Å; L37-L66 WeakPolarHBondContact O-CA 3.42Å; V39-L66 HydrophobicContact CG2-CD1 3.9Å; V39-L66 HydrophobicContact CG2-CD2 4.25Å; V39-L66 HydrophobicContact CG2-CG 4.12Å; K55-L66 HydrophobicContact CB-CD1 3.95Å; A59-L66 HydrophobicContact CB-CB 3.68Å; A59-L66 HydrophobicContact CB-CD1 4.03Å; L66-H68 HydrophobicContact CD2-CB 4.29Å; L66-F294 HydrophobicContact CD1-CE1 4.21Å; L66-F294 HydrophobicContact CD1-CZ 3.82Å
67S98.2Very high97.1Very high45 Ų4563.1 Ų63.132%0.31532%0.32SS..EExtended strand (participates in β ladder)trans-109.4132.2167.8-174.80000108.6L37 V38 V39L37-S67 PolarHBondContact O-N 3.15Å; V38-S67 CarbonylContact C-O 3.42Å; V38-S67 WeakPolarHBondContact CA-O 3.32Å; V39-S67 PolarHBondContact N-O 3.2Å
68H97.5Very high97Very high66 Ų6660.8 Ų60.831%0.30632%0.319SS..EExtended strand (participates in β ladder)trans-107.5108.6175175.4-157.8000108.2E41 L66 R70E41-H68 IonicContact OE2-CE1 3.7Å; E41-H68 PolarHBondContact OE2-CE1 3.03Å; E41-H68 IonicContact OE2-NE2 3.31Å; E41-H68 PolarHBondContact OE2-NE2 3.04Å; L66-H68 HydrophobicContact CD2-CB 4.29Å; H68-R70 PolarHBondContact CE1-NH2 3.09Å
69M96.8Very high96.9Very high48 Ų4862.3 Ų62.324%0.23633%0.331CS..EExtended strand (participates in β ladder)trans-98.8105.6176.3-70.3-175.26400108.7V38 V39 V40 E41 F71 Y83 L87V38-M69 HydrophobicContact CG1-CB 4.35Å; V38-M69 HydrophobicContact CG1-CG 3.88Å; V38-M69 HydrophobicContact CG1-SD 3.7Å; V39-M69 PolarHBondContact O-N 3.5Å; V40-M69 WeakPolarHBondContact CA-O 3.24Å; E41-M69 PolarHBondContact N-O 2.86Å; M69-F71 HydrophobicContact CB-CE2 4.45Å; M69-F71 HydrophobicContact CE-CZ 3.86Å; M69-Y83 HydrophobicContact CE-CD1 3.78Å; M69-Y83 HydrophobicContact CE-CE1 4.17Å; M69-L87 HydrophobicContact SD-CD1 4.1Å; M69-L87 HydrophobicContact SD-CD2 3.96Å; M69-L87 HydrophobicContact SD-CG 4.44Å
70R96.7Very high96.8Very high122 Ų12262.2 Ų62.246%0.4633%0.33SS..EExtended strand (participates in β ladder)trans-100.1129.7176.2-178.2178.6-67.7166.9-14.2110.6E41 N44 H68E41-R70 CarbonylContact O-C 3.4Å; E41-R70 WeakPolarHBondContact O-CA 3.5Å; E41-R70 IonicContact OE1-NH2 2.85Å; E41-R70 IonicContact OE2-CZ 2.8Å; E41-R70 VanDerWaalsContact OE2-CZ 3.23Å; E41-R70 IonicContact OE2-NE 2.88Å; E41-R70 PolarHBondContact OE2-NE 2.82Å; E41-R70 IonicContact OE2-NH2 3.76Å; E41-R70 PolarHBondContact OE2-NH2 3.17Å; N44-R70 PolarHBondContact OD1-NH2 3.38Å; H68-R70 PolarHBondContact CE1-NH2 3.09Å
71F96.9Very high96.8Very high19 Ų1954.8 Ų54.88%0.08330%0.299CS..EExtended strand (participates in β ladder)trans-105.2152.7171.9-64.3-72.4000110.6V40 E41 G43 M69 I75 L80 Y83V40-F71 HydrophobicContact CG1-CD2 4Å; V40-F71 HydrophobicContact CG1-CE2 3.78Å; E41-F71 PolarHBondContact O-N 3.42Å; G43-F71 PolarHBondContact N-O 2.96Å; M69-F71 HydrophobicContact CB-CE2 4.45Å; M69-F71 HydrophobicContact CE-CZ 3.86Å; F71-I75 HydrophobicContact CB-CD1 3.73Å; F71-I75 HydrophobicContact CD1-CD1 3.57Å; F71-I75 HydrophobicContact CD2-CD1 4.4Å; F71-I75 HydrophobicContact CE1-CD1 4.29Å; F71-I75 HydrophobicContact CG-CD1 3.63Å; F71-L80 HydrophobicContact CD2-CD1 4.11Å; F71-L80 HydrophobicContact CE2-CD1 4.14Å; F71-Y83 HydrophobicContact CD1-CE2 4.49Å; F71-Y83 HydrophobicContact CE1-CD1 4.28Å; F71-Y83 AromaticContact CE1-CD2 3.46Å; F71-Y83 HydrophobicContact CE1-CD2 3.46Å; F71-Y83 VanDerWaalsContact CE1-CD2 3.46Å; F71-Y83 HydrophobicContact CE1-CE1 4.27Å; F71-Y83 AromaticContact CE1-CE2 3.49Å; F71-Y83 HydrophobicContact CE1-CE2 3.49Å; F71-Y83 VanDerWaalsContact CE1-CE2 3.49Å; F71-Y83 AromaticContact CE1-CG 3.89Å; F71-Y83 HydrophobicContact CE1-CG 3.89Å; F71-Y83 AromaticContact CE1-CZ 3.9Å; F71-Y83 AromaticContact CZ-CD1 3.91Å; F71-Y83 HydrophobicContact CZ-CD1 3.91Å; F71-Y83 AromaticContact CZ-CD2 3.5Å; F71-Y83 HydrophobicContact CZ-CD2 3.5Å; F71-Y83 HydrophobicContact CZ-CE1 4.32Å; F71-Y83 AromaticContact CZ-CE2 3.99Å; F71-Y83 HydrophobicContact CZ-CE2 3.99Å; F71-Y83 AromaticContact CZ-CG 3.47Å; F71-Y83 HydrophobicContact CZ-CG 3.47Å; F71-Y83 VanDerWaalsContact CZ-CG 3.47Å
72P95.6Very high96.8Very high84 Ų8453.1 Ų53.155%0.54530%0.295SS..  trans-63.1158.9172.329.2-35.8000111.3H74P72-H74 PolarHBondContact O-N 3.46Å
73S95.3Very high96.8Very high29 Ų2957.1 Ų57.120%0.20331%0.311CS..SBendtrans-61.2-31.8175.3-49.20000112.1G43 I75 D103 S104 D105G43-S73 VanDerWaalsContact CA-OG 3.3Å; G43-S73 WeakPolarHBondContact CA-OG 3.41Å; S73-I75 PolarHBondContact O-N 2.92Å; S73-D103 WeakPolarHBondContact CA-O 3.35Å; S73-D103 WeakPolarHBondContact CB-O 3.27Å; S73-D103 PolarHBondContact OG-O 2.69Å; S73-D103 PolarHBondContact OG-OD2 3.09Å; S73-S104 WeakPolarHBondContact O-CA 3.29Å; S73-S104 WeakPolarHBondContact O-CB 3.42Å; S73-S104 PolarHBondContact O-OG 3.17Å; S73-D105 PolarHBondContact O-N 3.23Å; S73-D105 VanDerWaalsContact O-N 3.15Å
74H94.6Very high96.8Very high142 Ų14255.1 Ų55.166%0.65729%0.29SS*.SBendtrans-89.785172.6-166.470.5000111.2P72P72-H74 PolarHBondContact O-N 3.46Å
75I95Very high96.8Very high7 Ų760.4 Ų60.44%0.03631%0.31CS..  trans-131.8133.4174.1-175.6167.6000109.8V42 F71 S73 V79 L80 S106 I108V42-I75 HydrophobicContact CG1-CG2 3.63Å; V42-I75 HydrophobicContact CG2-CG2 4.4Å; F71-I75 HydrophobicContact CB-CD1 3.73Å; F71-I75 HydrophobicContact CD1-CD1 3.57Å; F71-I75 HydrophobicContact CD2-CD1 4.4Å; F71-I75 HydrophobicContact CE1-CD1 4.29Å; F71-I75 HydrophobicContact CG-CD1 3.63Å; S73-I75 PolarHBondContact O-N 2.92Å; I75-V79 HydrophobicContact CD1-CB 4.39Å; I75-V79 HydrophobicContact CD1-CG1 4.1Å; I75-V79 HydrophobicContact CG1-CB 4.14Å; I75-V79 HydrophobicContact CG1-CG1 4.25Å; I75-L80 HydrophobicContact CD1-CB 4.3Å; I75-S106 VanDerWaalsContact O-CB 3.32Å; I75-S106 WeakPolarHBondContact O-CB 3.24Å; I75-S106 PolarHBondContact O-OG 3Å; I75-I108 HydrophobicContact CG2-CD1 4.04Å
76P94.2Very high96.8Very high69 Ų6962.4 Ų62.445%0.44832%0.315SS..  trans-67.2141.9170.2-19.532.1000111.3S78 V79 L80P76-S78 PolarHBondContact O-N 2.84Å; P76-V79 HydrophobicContact CB-CG2 4.13Å; P76-V79 HydrophobicContact CG-CG2 4.1Å; P76-V79 PolarHBondContact O-N 3.11Å; P76-V79 VanDerWaalsContact O-N 3.09Å; P76-L80 PolarHBondContact O-N 3.45Å
77E95.8Very high96.8Very high48 Ų4860.9 Ų60.922%0.22431%0.307CS..Hα-helixtrans-56.9-38.3178.7-174.8177.1118.300112.5V79 L80 L81 I108 N109 N112E77-V79 VanDerWaalsContact C-N 3.3Å; E77-V79 PolarHBondContact O-N 3.09Å; E77-L80 WeakPolarHBondContact O-CB 3.32Å; E77-L80 PolarHBondContact O-N 2.86Å; E77-L81 HydrophobicContact CG-CD1 4.12Å; E77-L81 HydrophobicContact CG-CG 4.37Å; E77-L81 WeakPolarHBondContact O-CG 3.41Å; E77-L81 PolarHBondContact O-N 2.89Å; E77-I108 HydrophobicContact CB-CG1 4.34Å; E77-I108 HydrophobicContact CG-CG2 4.14Å; E77-N109 PolarHBondContact OE2-N 3.15Å; E77-N112 WeakPolarHBondContact OE1-CB 3.35Å; E77-N112 PolarHBondContact OE1-ND2 3.5Å
78S96.2Very high96.8Very high75 Ų7560.2 Ų60.252%0.52430%0.3SS..Hα-helixtrans-58-40.9176.952.20000112.8P76 L81 D82P76-S78 PolarHBondContact O-N 2.84Å; S78-L81 PolarHBondContact O-N 3.3Å; S78-D82 PolarHBondContact O-N 3.28Å
79V96.2Very high96.8Very high54 Ų5462.1 Ų62.133%0.32732%0.321SS..Hα-helixtrans-68-42.2178.3178.90000110.4I75 P76 E77 L81 D82 Y83I75-V79 HydrophobicContact CD1-CB 4.39Å; I75-V79 HydrophobicContact CD1-CG1 4.1Å; I75-V79 HydrophobicContact CG1-CB 4.14Å; I75-V79 HydrophobicContact CG1-CG1 4.25Å; P76-V79 HydrophobicContact CB-CG2 4.13Å; P76-V79 HydrophobicContact CG-CG2 4.1Å; P76-V79 PolarHBondContact O-N 3.11Å; P76-V79 VanDerWaalsContact O-N 3.09Å; E77-V79 VanDerWaalsContact C-N 3.3Å; E77-V79 PolarHBondContact O-N 3.09Å; V79-L81 VanDerWaalsContact C-N 3.32Å; V79-L81 PolarHBondContact O-N 2.96Å; V79-D82 PolarHBondContact O-N 2.95Å; V79-Y83 HydrophobicContact CG1-CD2 4.05Å; V79-Y83 HydrophobicContact CG1-CE2 3.83Å; V79-Y83 VanDerWaalsContact O-CD2 3.22Å; V79-Y83 WeakPolarHBondContact O-CD2 3.23Å; V79-Y83 PolarHBondContact O-N 2.86Å; V79-Y83 VanDerWaalsContact O-N 3.16Å
80L96.9Very high96.9Very high0 Ų062.5 Ų62.50%032%0.323CS..Hα-helixtrans-59.6-44.4175.3177.262.6000111.3V40 V42 F71 I75 P76 E77 Y83 V84 F102 I108 P113V40-L80 HydrophobicContact CG1-CD1 3.75Å; V42-L80 HydrophobicContact CG2-CD1 4.09Å; V42-L80 HydrophobicContact CG2-CD2 3.98Å; F71-L80 HydrophobicContact CD2-CD1 4.11Å; F71-L80 HydrophobicContact CE2-CD1 4.14Å; I75-L80 HydrophobicContact CD1-CB 4.3Å; P76-L80 PolarHBondContact O-N 3.45Å; E77-L80 WeakPolarHBondContact O-CB 3.32Å; E77-L80 PolarHBondContact O-N 2.86Å; L80-Y83 PolarHBondContact O-N 3.23Å; L80-V84 WeakPolarHBondContact O-CG2 3.42Å; L80-V84 PolarHBondContact O-N 3.48Å; L80-F102 HydrophobicContact CD2-CE2 4.05Å; L80-F102 HydrophobicContact CD2-CZ 4.09Å; L80-I108 HydrophobicContact CD2-CD1 4.22Å; L80-I108 HydrophobicContact CD2-CG2 4.37Å; L80-P113 HydrophobicContact CD2-CB 4.07Å; L80-P113 HydrophobicContact CD2-CG 4.1Å; L80-P113 HydrophobicContact CG-CB 4.4Å
81L97.6Very high96.9Very high28 Ų2861.9 Ų61.915%0.14734%0.338CS..Hα-helixtrans-61.7-44.1176.8-70.6171.1000111.9E77 S78 V79 Y83 V84 Y85 P113 A116E77-L81 HydrophobicContact CG-CD1 4.12Å; E77-L81 HydrophobicContact CG-CG 4.37Å; E77-L81 WeakPolarHBondContact O-CG 3.41Å; E77-L81 PolarHBondContact O-N 2.89Å; S78-L81 PolarHBondContact O-N 3.3Å; V79-L81 VanDerWaalsContact C-N 3.32Å; V79-L81 PolarHBondContact O-N 2.96Å; L81-Y83 VanDerWaalsContact C-N 3.25Å; L81-Y83 PolarHBondContact O-N 3.48Å; L81-V84 PolarHBondContact O-N 3.03Å; L81-Y85 HydrophobicContact CB-CD2 4.44Å; L81-Y85 HydrophobicContact CB-CE2 3.97Å; L81-Y85 WeakPolarHBondContact O-CD2 3.38Å; L81-Y85 PolarHBondContact O-N 3.45Å; L81-P113 HydrophobicContact CD2-CB 4.13Å; L81-A116 HydrophobicContact CD2-CB 3.6Å
82D98.1Very high96.9Very high86 Ų8663.4 Ų63.446%0.4635%0.351SS..Hα-helixtrans-56.9-39.4176-76.1-14.6000112.2S78 V79 Y85 K86S78-D82 PolarHBondContact O-N 3.28Å; V79-D82 PolarHBondContact O-N 2.95Å; D82-Y85 PolarHBondContact O-N 3Å; D82-K86 VanDerWaalsContact O-CG 3.28Å; D82-K86 WeakPolarHBondContact O-CG 3.31Å; D82-K86 PolarHBondContact O-N 3.12Å
83Y97.8Very high97.1Very high89 Ų8959.5 Ų59.535%0.34933%0.326SS..Hα-helixtrans-67.9-42.4174.3-82.3-75.2000112.5M69 F71 V79 L80 L81 Y85 K86 L87M69-Y83 HydrophobicContact CE-CD1 3.78Å; M69-Y83 HydrophobicContact CE-CE1 4.17Å; F71-Y83 HydrophobicContact CD1-CE2 4.49Å; F71-Y83 HydrophobicContact CE1-CD1 4.28Å; F71-Y83 AromaticContact CE1-CD2 3.46Å; F71-Y83 HydrophobicContact CE1-CD2 3.46Å; F71-Y83 VanDerWaalsContact CE1-CD2 3.46Å; F71-Y83 HydrophobicContact CE1-CE1 4.27Å; F71-Y83 AromaticContact CE1-CE2 3.49Å; F71-Y83 HydrophobicContact CE1-CE2 3.49Å; F71-Y83 VanDerWaalsContact CE1-CE2 3.49Å; F71-Y83 AromaticContact CE1-CG 3.89Å; F71-Y83 HydrophobicContact CE1-CG 3.89Å; F71-Y83 AromaticContact CE1-CZ 3.9Å; F71-Y83 AromaticContact CZ-CD1 3.91Å; F71-Y83 HydrophobicContact CZ-CD1 3.91Å; F71-Y83 AromaticContact CZ-CD2 3.5Å; F71-Y83 HydrophobicContact CZ-CD2 3.5Å; F71-Y83 HydrophobicContact CZ-CE1 4.32Å; F71-Y83 AromaticContact CZ-CE2 3.99Å; F71-Y83 HydrophobicContact CZ-CE2 3.99Å; F71-Y83 AromaticContact CZ-CG 3.47Å; F71-Y83 HydrophobicContact CZ-CG 3.47Å; F71-Y83 VanDerWaalsContact CZ-CG 3.47Å; V79-Y83 HydrophobicContact CG1-CD2 4.05Å; V79-Y83 HydrophobicContact CG1-CE2 3.83Å; V79-Y83 VanDerWaalsContact O-CD2 3.22Å; V79-Y83 WeakPolarHBondContact O-CD2 3.23Å; V79-Y83 PolarHBondContact O-N 2.86Å; V79-Y83 VanDerWaalsContact O-N 3.16Å; L80-Y83 PolarHBondContact O-N 3.23Å; L81-Y83 VanDerWaalsContact C-N 3.25Å; L81-Y83 PolarHBondContact O-N 3.48Å; Y83-Y85 VanDerWaalsContact C-N 3.31Å; Y83-Y85 PolarHBondContact O-N 3.27Å; Y83-K86 PolarHBondContact O-N 2.99Å; Y83-L87 WeakPolarHBondContact O-CG 3.33Å; Y83-L87 PolarHBondContact O-N 3.45Å
84V98.1Very high97.2Very high1 Ų158.5 Ų58.51%0.00632%0.318CS..Hα-helixtrans-59.7-42.8174.8174.20000110.6L80 L81 L87 N88 L98 A116 V117L80-V84 WeakPolarHBondContact O-CG2 3.42Å; L80-V84 PolarHBondContact O-N 3.48Å; L81-V84 PolarHBondContact O-N 3.03Å; V84-L87 PolarHBondContact O-N 3.01Å; V84-N88 VanDerWaalsContact O-CG 3.31Å; V84-N88 PolarHBondContact O-N 3.25Å; V84-N88 PolarHBondContact O-ND2 3.15Å; V84-L98 HydrophobicContact CG2-CD2 4.25Å; V84-A116 HydrophobicContact CG1-CB 3.96Å; V84-V117 HydrophobicContact CG1-CG2 3.98Å
85Y98.3Very high97.4Very high120 Ų12051.8 Ų51.847%0.47129%0.287SS..Hα-helixtrans-64.9-40176.3-63.8-46.1000112.9L81 D82 Y83 L87 N88 S89 A116L81-Y85 HydrophobicContact CB-CD2 4.44Å; L81-Y85 HydrophobicContact CB-CE2 3.97Å; L81-Y85 WeakPolarHBondContact O-CD2 3.38Å; L81-Y85 PolarHBondContact O-N 3.45Å; D82-Y85 PolarHBondContact O-N 3Å; Y83-Y85 VanDerWaalsContact C-N 3.31Å; Y83-Y85 PolarHBondContact O-N 3.27Å; Y85-L87 VanDerWaalsContact C-N 3.34Å; Y85-L87 PolarHBondContact O-N 3.01Å; Y85-N88 WeakPolarHBondContact O-CB 3.48Å; Y85-N88 PolarHBondContact O-N 2.63Å; Y85-S89 PolarHBondContact O-N 2.99Å; Y85-S89 VanDerWaalsContact O-N 3.13Å; Y85-S89 PolarHBondContact O-OG 3.42Å; Y85-A116 HydrophobicContact CE1-CB 3.89Å
86K98.5Very high97.6Very high134 Ų13451.5 Ų51.558%0.58329%0.285SS*.Hα-helixtrans-60.4-43.3172.5-73.7168.2-174.7170.90111.7D82 Y83 N88 S89 D90D82-K86 VanDerWaalsContact O-CG 3.28Å; D82-K86 WeakPolarHBondContact O-CG 3.31Å; D82-K86 PolarHBondContact O-N 3.12Å; Y83-K86 PolarHBondContact O-N 2.99Å; K86-N88 VanDerWaalsContact C-N 3.32Å; K86-N88 PolarHBondContact O-N 2.92Å; K86-S89 PolarHBondContact O-N 2.95Å; K86-D90 PolarHBondContact O-N 3.45Å
87L98.5Very high97.7Very high13 Ų1348.2 Ų48.27%0.06826%0.264CS..Hα-helixtrans-66.2-33.2176.5-68.9174.7000112.5V38 V40 M69 Y83 V84 Y85 S89 D90 V93 I96 K121V38-L87 HydrophobicContact CB-CD1 4.27Å; V38-L87 HydrophobicContact CB-CD2 4.35Å; V38-L87 HydrophobicContact CG1-CD1 3.75Å; V38-L87 HydrophobicContact CG1-CD2 4.1Å; V38-L87 HydrophobicContact CG2-CD2 4.02Å; V40-L87 HydrophobicContact CG2-CD1 3.83Å; M69-L87 HydrophobicContact SD-CD1 4.1Å; M69-L87 HydrophobicContact SD-CD2 3.96Å; M69-L87 HydrophobicContact SD-CG 4.44Å; Y83-L87 WeakPolarHBondContact O-CG 3.33Å; Y83-L87 PolarHBondContact O-N 3.45Å; V84-L87 PolarHBondContact O-N 3.01Å; Y85-L87 VanDerWaalsContact C-N 3.34Å; Y85-L87 PolarHBondContact O-N 3.01Å; L87-S89 VanDerWaalsContact C-N 3.32Å; L87-D90 PolarHBondContact O-N 3.22Å; L87-V93 HydrophobicContact CD2-CG2 4.15Å; L87-I96 HydrophobicContact CB-CD1 3.54Å; L87-I96 HydrophobicContact CB-CG1 4.1Å; L87-I96 HydrophobicContact CD1-CG2 4.43Å; L87-K121 PolarHBondContact O-NZ 2.91Å
88N98.2Very high97.7Very high31 Ų3146.1 Ų46.117%0.16625%0.254CS..Hα-helixtrans-62.7-39.6172.8-73.1-28.9000111.7V84 Y85 K86 I96 A116 A118 K121V84-N88 VanDerWaalsContact O-CG 3.31Å; V84-N88 PolarHBondContact O-N 3.25Å; V84-N88 PolarHBondContact O-ND2 3.15Å; Y85-N88 WeakPolarHBondContact O-CB 3.48Å; Y85-N88 PolarHBondContact O-N 2.63Å; K86-N88 VanDerWaalsContact C-N 3.32Å; K86-N88 PolarHBondContact O-N 2.92Å; N88-I96 VanDerWaalsContact OD1-CD1 3.3Å; N88-I96 WeakPolarHBondContact OD1-CD1 3.23Å; N88-A116 PolarHBondContact ND2-O 3.1Å; N88-A118 HydrophobicContact CB-CB 4.21Å; N88-A118 WeakPolarHBondContact OD1-CB 3.19Å; N88-A118 PolarHBondContact OD1-N 2.78Å; N88-K121 VanDerWaalsContact O-CE 3.27Å; N88-K121 WeakPolarHBondContact O-CE 3.36Å; N88-K121 PolarHBondContact O-NZ 3.16Å
89S98.1Very high97.6Very high106 Ų10643.2 Ų43.274%0.74123%0.232SC*.Hα-helixtrans-81.3-18179.6-58.60000114.3Y85 K86 L87 S91Y85-S89 PolarHBondContact O-N 2.99Å; Y85-S89 VanDerWaalsContact O-N 3.13Å; Y85-S89 PolarHBondContact O-OG 3.42Å; K86-S89 PolarHBondContact O-N 2.95Å; L87-S89 VanDerWaalsContact C-N 3.32Å; S89-S91 PolarHBondContact O-N 3.48Å
90D98.4Very high97.4Very high55 Ų5542.5 Ų42.529%0.29423%0.227SC..  trans-72.2106.7178.3-177.6-8.5000111.3K36 K86 L87 S92 V93 K121K36-D90 IonicContact NZ-OD2 2.77Å; K86-D90 PolarHBondContact O-N 3.45Å; L87-D90 PolarHBondContact O-N 3.22Å; D90-S92 PolarHBondContact O-N 2.82Å; D90-S92 WeakPolarHBondContact OD1-CA 3.42Å; D90-S92 WeakPolarHBondContact OD1-CB 3.09Å; D90-S92 PolarHBondContact OD1-N 3.06Å; D90-S92 PolarHBondContact OD1-OG 3.01Å; D90-S92 PolarHBondContact OD2-OG 2.84Å; D90-S92 VanDerWaalsContact OD2-OG 3.08Å; D90-V93 HydrophobicContact CB-CB 4.31Å; D90-V93 HydrophobicContact CB-CG2 4.06Å; D90-V93 PolarHBondContact O-N 2.88Å; D90-V93 WeakPolarHBondContact OD2-CG2 3.38Å; D90-K121 PolarHBondContact O-NZ 2.91Å
91S97.1Very high97Very high109 Ų10945.8 Ų45.876%0.76225%0.248SC*.THydrogen-bonded Turntrans-65.2-15.717959.30000114S89 V93S89-S91 PolarHBondContact O-N 3.48Å; S91-V93 VanDerWaalsContact C-N 3.3Å
92S97.3Very high96.7Very high52 Ų5245.7 Ų45.736%0.36425%0.246SC..THydrogen-bonded Turntrans-77-17.6172.380.60000113K36 D90 H94K36-S92 WeakPolarHBondContact CB-O 3.15Å; K36-S92 WeakPolarHBondContact CD-O 3.32Å; K36-S92 PolarHBondContact NZ-OG 2.86Å; K36-S92 VanDerWaalsContact NZ-OG 3.14Å; D90-S92 PolarHBondContact O-N 2.82Å; D90-S92 WeakPolarHBondContact OD1-CA 3.42Å; D90-S92 WeakPolarHBondContact OD1-CB 3.09Å; D90-S92 PolarHBondContact OD1-N 3.06Å; D90-S92 PolarHBondContact OD1-OG 3.01Å; D90-S92 PolarHBondContact OD2-OG 2.84Å; D90-S92 VanDerWaalsContact OD2-OG 3.08Å; S92-H94 PolarHBondContact O-CE1 2.91Å; S92-H94 PolarHBondContact O-ND1 2.72Å
93V98.7Very high96.4Very high1 Ų144 Ų441%0.00624%0.237CC..  trans-98.5127.8-177.81750000110.2K36 V38 L87 D90 S91 G95 I96 K121K36-V93 HydrophobicContact CD-CG2 3.98Å; V38-V93 HydrophobicContact CB-CG1 4.45Å; V38-V93 HydrophobicContact CG2-CB 4.4Å; V38-V93 HydrophobicContact CG2-CG1 3.79Å; V38-V93 HydrophobicContact CG2-CG2 3.66Å; L87-V93 HydrophobicContact CD2-CG2 4.15Å; D90-V93 HydrophobicContact CB-CB 4.31Å; D90-V93 HydrophobicContact CB-CG2 4.06Å; D90-V93 PolarHBondContact O-N 2.88Å; D90-V93 WeakPolarHBondContact OD2-CG2 3.38Å; S91-V93 VanDerWaalsContact C-N 3.3Å; V93-G95 WeakPolarHBondContact CG1-O 3.25Å; V93-I96 HydrophobicContact CG1-CG1 3.92Å; V93-K121 HydrophobicContact CG1-CD 4.43Å; V93-K121 WeakPolarHBondContact O-CE 3.43Å; V93-K121 PolarHBondContact O-NZ 3.07Å
94H98.4Very high96Very high9 Ų941.1 Ų41.14%0.04223%0.23CC..  trans-113.2-26.2-175.4-56.895.9000112.4K36 S92 T297 S300 A301K36-H94 PolarHBondContact N-ND1 3.1Å; K36-H94 PolarHBondContact O-N 3.46Å; S92-H94 PolarHBondContact O-CE1 2.91Å; S92-H94 PolarHBondContact O-ND1 2.72Å; H94-T297 HydrophobicContact CB-CG2 4.41Å; H94-S300 WeakPolarHBondContact O-CB 3.42Å; H94-S300 PolarHBondContact O-OG 3.37Å; H94-A301 HydrophobicContact CB-CB 3.96Å; H94-A301 VanDerWaalsContact CD2-CA 3.42Å; H94-A301 WeakPolarHBondContact CD2-CA 3.37Å
95G98.3Very high95.5Very high0 Ų046.9 Ų46.90%026%0.261CS..EExtended strand (participates in β ladder)trans-136145.2173.900000111.8K36 L37 V38 V93 K121 V123K36-G95 PolarHBondContact O-N 3.48Å; L37-G95 CarbonylContact C-O 3.53Å; L37-G95 WeakPolarHBondContact CA-O 3.41Å; L37-G95 WeakPolarHBondContact CD1-O 3.34Å; V38-G95 PolarHBondContact N-O 3.05Å; V93-G95 WeakPolarHBondContact CG1-O 3.25Å; G95-K121 WeakPolarHBondContact CA-O 3.49Å; G95-V123 VanDerWaalsContact CA-CG1 3.5Å
96I98.5Very high94.6Very high1 Ų142.6 Ų42.61%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-126129.8171.5-56.4165.1000107V38 V40 L87 N88 V93 L98 V117 K121V38-I96 WeakPolarHBondContact O-CA 3.47Å; V40-I96 HydrophobicContact CG2-CG2 4.3Å; L87-I96 HydrophobicContact CB-CD1 3.54Å; L87-I96 HydrophobicContact CB-CG1 4.1Å; L87-I96 HydrophobicContact CD1-CG2 4.43Å; N88-I96 VanDerWaalsContact OD1-CD1 3.3Å; N88-I96 WeakPolarHBondContact OD1-CD1 3.23Å; V93-I96 HydrophobicContact CG1-CG1 3.92Å; I96-L98 HydrophobicContact CG2-CD2 4.43Å; I96-V117 HydrophobicContact CB-CG1 3.92Å; I96-V117 HydrophobicContact CB-CG2 4.39Å; I96-V117 HydrophobicContact CD1-CG1 4.35Å; I96-V117 HydrophobicContact CG2-CG1 4.43Å; I96-V117 HydrophobicContact CG2-CG2 4Å; I96-K121 HydrophobicContact CD1-CB 4.18Å; I96-K121 HydrophobicContact CD1-CD 4.1Å; I96-K121 HydrophobicContact CG1-CB 4.29Å; I96-K121 PolarHBondContact N-O 3.28Å
97T97.3Very high93.8Very high1 Ų144.6 Ų44.61%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-126.2132.5171.3170.50000108.2L37 V38 V39 V40 E124 L293L37-T97 HydrophobicContact CD1-CG2 3.86Å; L37-T97 HydrophobicContact CD2-CG2 4.15Å; L37-T97 HydrophobicContact CG-CG2 4.14Å; V38-T97 PolarHBondContact O-N 2.92Å; V39-T97 HydrophobicContact CB-CG2 4.11Å; V39-T97 HydrophobicContact CG1-CG2 4.22Å; V39-T97 HydrophobicContact CG2-CG2 3.7Å; V40-T97 PolarHBondContact N-O 3.36Å; T97-E124 PolarHBondContact OG1-OE1 3.39Å; T97-L293 HydrophobicContact CG2-CD2 4.47Å
98L95.6Very high93.4Very high4 Ų445 Ų452%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-90.4117.5172-54.6-175.6000107.4V40 V84 I96 L100 F102 P113 L114 V117V40-L98 HydrophobicContact CB-CD2 3.71Å; V40-L98 HydrophobicContact CG1-CD2 3.99Å; V40-L98 HydrophobicContact CG2-CD2 4.19Å; V84-L98 HydrophobicContact CG2-CD2 4.25Å; I96-L98 HydrophobicContact CG2-CD2 4.43Å; L98-L100 PolarHBondContact O-N 2.88Å; L98-F102 HydrophobicContact CB-CE1 4.19Å; L98-F102 HydrophobicContact CB-CZ 4.19Å; L98-F102 HydrophobicContact CD1-CZ 4.16Å; L98-P113 VanDerWaalsContact CD1-C 3.41Å; L98-P113 HydrophobicContact CD1-CB 3.67Å; L98-P113 HydrophobicContact CD1-CG 4.05Å; L98-L114 HydrophobicContact CB-CD2 4.29Å; L98-L114 HydrophobicContact CD1-CB 4.44Å; L98-L114 HydrophobicContact CD1-CD2 3.86Å; L98-L114 HydrophobicContact CD1-CG 3.94Å; L98-L114 HydrophobicContact CG-CD2 4.29Å; L98-V117 HydrophobicContact CD1-CG2 4.49Å; L98-V117 HydrophobicContact CG-CG2 4.38Å
99Q94.8Very high93.1Very high13 Ų1347.3 Ų47.36%0.06128%0.28CS..EExtended strand (participates in β ladder)trans-72.7115.8175.6-177.160.849.700109.2V39 V40 E41 I52 F102V39-Q99 HydrophobicContact CG1-CB 4.11Å; V40-Q99 PolarHBondContact O-N 3.05Å; E41-Q99 HydrophobicContact CB-CB 4.22Å; E41-Q99 HydrophobicContact CG-CB 4.46Å; I52-Q99 HydrophobicContact CD1-CG 3.98Å; I52-Q99 HydrophobicContact CG1-CG 4.04Å; Q99-F102 WeakPolarHBondContact O-CD1 3.43Å
100L90.8Very high92.7Very high40 Ų4044 Ų4421%0.20926%0.256CS..SBendtrans-107.4156.9177.2-63.1179000111.5L98 F102 V110 L114L98-L100 PolarHBondContact O-N 2.88Å; L100-F102 HydrophobicContact CD2-CD1 3.78Å; L100-F102 HydrophobicContact CD2-CD2 4.31Å; L100-F102 HydrophobicContact CD2-CE1 3.68Å; L100-F102 HydrophobicContact CD2-CE2 4.21Å; L100-F102 HydrophobicContact CD2-CG 4.09Å; L100-F102 HydrophobicContact CD2-CZ 3.91Å; L100-V110 HydrophobicContact CD1-CG1 3.77Å; L100-V110 HydrophobicContact CD2-CG1 3.59Å; L100-V110 HydrophobicContact CD2-CG2 4.16Å; L100-V110 HydrophobicContact CG-CG1 4.36Å; L100-L114 HydrophobicContact CD1-CD1 4.22Å
101P88.5Confident92.3Very high68 Ų6844.2 Ų44.244%0.44226%0.258SS..SBendcis-69.6155.5-9.426.6-25.8000111.4L45L45-P101 HydrophobicContact CD1-CB 4.36Å; L45-P101 HydrophobicContact CD1-CG 3.58Å; L45-P101 WeakPolarHBondContact CD1-O 3.36Å
102F91.5Very high92.2Very high27 Ų2742.1 Ų42.112%0.11824%0.239CC..  trans-70.2139.8168.6-66.1-28.8000109.6V42 L80 L98 Q99 L100 I108 V110 P113V42-F102 HydrophobicContact CB-CB 4.14Å; V42-F102 HydrophobicContact CB-CD1 3.85Å; V42-F102 HydrophobicContact CB-CE1 4.49Å; V42-F102 HydrophobicContact CB-CG 4.06Å; V42-F102 HydrophobicContact CG2-CD1 3.89Å; V42-F102 HydrophobicContact CG2-CE1 4.04Å; V42-F102 HydrophobicContact CG2-CG 4.24Å; L80-F102 HydrophobicContact CD2-CE2 4.05Å; L80-F102 HydrophobicContact CD2-CZ 4.09Å; L98-F102 HydrophobicContact CB-CE1 4.19Å; L98-F102 HydrophobicContact CB-CZ 4.19Å; L98-F102 HydrophobicContact CD1-CZ 4.16Å; Q99-F102 WeakPolarHBondContact O-CD1 3.43Å; L100-F102 HydrophobicContact CD2-CD1 3.78Å; L100-F102 HydrophobicContact CD2-CD2 4.31Å; L100-F102 HydrophobicContact CD2-CE1 3.68Å; L100-F102 HydrophobicContact CD2-CE2 4.21Å; L100-F102 HydrophobicContact CD2-CG 4.09Å; L100-F102 HydrophobicContact CD2-CZ 3.91Å; F102-I108 HydrophobicContact CD2-CB 4.34Å; F102-I108 HydrophobicContact CD2-CG2 3.92Å; F102-I108 HydrophobicContact CE2-CG2 3.91Å; F102-V110 HydrophobicContact CD2-CG2 3.7Å; F102-V110 HydrophobicContact CE2-CG2 4.01Å; F102-V110 HydrophobicContact CG-CG2 4.45Å; F102-P113 HydrophobicContact CE2-CG 3.75Å; F102-P113 HydrophobicContact CZ-CG 4.04Å
103D92.2Very high92Very high49 Ų4939.7 Ų39.726%0.26222%0.222SC..  trans-103.784.9167.916838.6000107.4V42 G43 N44 L45 S73V42-D103 CarbonylContact C-O 3.6Å; V42-D103 PolarHBondContact O-N 2.8Å; G43-D103 VanDerWaalsContact CA-O 3.28Å; G43-D103 WeakPolarHBondContact CA-O 3.36Å; G43-D103 PolarHBondContact N-O 2.88Å; N44-D103 PolarHBondContact N-OD2 2.79Å; L45-D103 HydrophobicContact CD1-CB 4.01Å; L45-D103 HydrophobicContact CD2-CB 3.57Å; L45-D103 HydrophobicContact CG-CB 3.45Å; L45-D103 VanDerWaalsContact CG-CB 3.45Å; S73-D103 WeakPolarHBondContact CA-O 3.35Å; S73-D103 WeakPolarHBondContact CB-O 3.27Å; S73-D103 PolarHBondContact OG-O 2.69Å; S73-D103 PolarHBondContact OG-OD2 3.09Å
104S88.8Confident91.7Very high30 Ų3040.2 Ų40.221%0.2123%0.225CC..  trans-128.9136-175.8-1660000111.3S73 S106 I108S73-S104 WeakPolarHBondContact O-CA 3.29Å; S73-S104 WeakPolarHBondContact O-CB 3.42Å; S73-S104 PolarHBondContact O-OG 3.17Å; S104-S106 VanDerWaalsContact C-N 3.27Å; S104-S106 WeakPolarHBondContact CB-O 3.28Å; S104-S106 WeakPolarHBondContact OG-CB 3.43Å; S104-S106 PolarHBondContact OG-N 2.78Å; S104-S106 PolarHBondContact OG-O 2.99Å; S104-I108 WeakPolarHBondContact OG-CD1 3.39Å
105D88.6Confident91.4Very high121 Ų12143.5 Ų43.565%0.64724%0.242SC*.SBendtrans-78.9-19.4170.4-53-50.4000111.1S73S73-D105 PolarHBondContact O-N 3.23Å; S73-D105 VanDerWaalsContact O-N 3.15Å
106S78.1Confident91.3Very high31 Ų3144 Ų4422%0.21725%0.247CC..SBendtrans-80.6127.5169.3-49.90000107.6I75 S104 I108I75-S106 VanDerWaalsContact O-CB 3.32Å; I75-S106 WeakPolarHBondContact O-CB 3.24Å; I75-S106 PolarHBondContact O-OG 3Å; S104-S106 VanDerWaalsContact C-N 3.27Å; S104-S106 WeakPolarHBondContact CB-O 3.28Å; S104-S106 WeakPolarHBondContact OG-CB 3.43Å; S104-S106 PolarHBondContact OG-N 2.78Å; S104-S106 PolarHBondContact OG-O 2.99Å; S106-I108 PolarHBondContact O-N 3.09Å
107N81.6Confident91.2Very high175 Ų17544.1 Ų44.194%0.93625%0.248SC*.  trans-67.372.8173.1-77-33.8000110.9N109N107-N109 PolarHBondContact O-N 3.47Å
108I90.5Very high91.1Very high21 Ų2146 Ų4611%0.10826%0.263CS..  trans-71.5125178.1-64.4172.9000108.2V42 I75 E77 L80 F102 S104 S106 V110 P113V42-I108 HydrophobicContact CG1-CD1 4.33Å; I75-I108 HydrophobicContact CG2-CD1 4.04Å; E77-I108 HydrophobicContact CB-CG1 4.34Å; E77-I108 HydrophobicContact CG-CG2 4.14Å; L80-I108 HydrophobicContact CD2-CD1 4.22Å; L80-I108 HydrophobicContact CD2-CG2 4.37Å; F102-I108 HydrophobicContact CD2-CB 4.34Å; F102-I108 HydrophobicContact CD2-CG2 3.92Å; F102-I108 HydrophobicContact CE2-CG2 3.91Å; S104-I108 WeakPolarHBondContact OG-CD1 3.39Å; S106-I108 PolarHBondContact O-N 3.09Å; I108-V110 PolarHBondContact O-N 3.18Å; I108-P113 HydrophobicContact CG2-CG 4.37Å
109N92.2Very high91Very high81 Ų8147.7 Ų47.743%0.43327%0.274SS..  trans-75.5100169.4-177.2-14.8000108.5E77 N107 T111 N112 P113E77-N109 PolarHBondContact OE2-N 3.15Å; N107-N109 PolarHBondContact O-N 3.47Å; N109-T111 PolarHBondContact O-N 3.31Å; N109-T111 WeakPolarHBondContact OD1-CB 3.45Å; N109-T111 PolarHBondContact OD1-N 3.32Å; N109-T111 PolarHBondContact OD1-OG1 3.16Å; N109-N112 WeakPolarHBondContact O-CB 3.14Å; N109-N112 PolarHBondContact O-N 3.35Å; N109-P113 WeakPolarHBondContact O-CD 3.43Å
110V89.3Confident90.9Very high37 Ų3751.3 Ų51.322%0.22429%0.293CS..THydrogen-bonded Turntrans-49.1-27.5180170.80000113.5L100 F102 I108 N112 P113 L114L100-V110 HydrophobicContact CD1-CG1 3.77Å; L100-V110 HydrophobicContact CD2-CG1 3.59Å; L100-V110 HydrophobicContact CD2-CG2 4.16Å; L100-V110 HydrophobicContact CG-CG1 4.36Å; F102-V110 HydrophobicContact CD2-CG2 3.7Å; F102-V110 HydrophobicContact CE2-CG2 4.01Å; F102-V110 HydrophobicContact CG-CG2 4.45Å; I108-V110 PolarHBondContact O-N 3.18Å; V110-N112 VanDerWaalsContact C-N 3.33Å; V110-N112 PolarHBondContact O-N 3.4Å; V110-P113 WeakPolarHBondContact O-CD 3.46Å; V110-L114 HydrophobicContact CG1-CD1 3.68Å; V110-L114 HydrophobicContact CG1-CG 4.29Å; V110-L114 WeakPolarHBondContact O-CB 3.36Å; V110-L114 WeakPolarHBondContact O-CD1 3.49Å; V110-L114 WeakPolarHBondContact O-CG 3.38Å; V110-L114 PolarHBondContact O-N 3.47Å
111T90.3Very high91.2Very high58 Ų5850.6 Ų50.636%0.35629%0.288SS..Hα-helixtrans-64-37.3177.7-52.20000112.3N109 L114 N115N109-T111 PolarHBondContact O-N 3.31Å; N109-T111 WeakPolarHBondContact OD1-CB 3.45Å; N109-T111 PolarHBondContact OD1-N 3.32Å; N109-T111 PolarHBondContact OD1-OG1 3.16Å; T111-L114 PolarHBondContact O-N 3.41Å; T111-N115 WeakPolarHBondContact O-CB 3.37Å; T111-N115 VanDerWaalsContact O-CG 3.29Å; T111-N115 PolarHBondContact O-N 2.9Å
112N94.1Very high91.5Very high66 Ų6647.7 Ų47.735%0.35327%0.268SS..Hα-helixtrans-63.6-55.2-176.3-67.5-7.4000112.3E77 N109 V110 L114 N115 A116E77-N112 WeakPolarHBondContact OE1-CB 3.35Å; E77-N112 PolarHBondContact OE1-ND2 3.5Å; N109-N112 WeakPolarHBondContact O-CB 3.14Å; N109-N112 PolarHBondContact O-N 3.35Å; V110-N112 VanDerWaalsContact C-N 3.33Å; V110-N112 PolarHBondContact O-N 3.4Å; N112-L114 VanDerWaalsContact C-N 3.34Å; N112-L114 PolarHBondContact O-N 3.15Å; N112-N115 PolarHBondContact O-N 3.2Å; N112-A116 WeakPolarHBondContact O-CB 3.47Å; N112-A116 PolarHBondContact O-N 3.12Å
113P93.4Very high91.7Very high0 Ų046.4 Ų46.40%026%0.263CS..Hα-helixtrans-68.6-31.4178.728.4-34.1000112.6L80 L81 L98 F102 I108 N109 V110 A116 V117L80-P113 HydrophobicContact CD2-CB 4.07Å; L80-P113 HydrophobicContact CD2-CG 4.1Å; L80-P113 HydrophobicContact CG-CB 4.4Å; L81-P113 HydrophobicContact CD2-CB 4.13Å; L98-P113 VanDerWaalsContact CD1-C 3.41Å; L98-P113 HydrophobicContact CD1-CB 3.67Å; L98-P113 HydrophobicContact CD1-CG 4.05Å; F102-P113 HydrophobicContact CE2-CG 3.75Å; F102-P113 HydrophobicContact CZ-CG 4.04Å; I108-P113 HydrophobicContact CG2-CG 4.37Å; N109-P113 WeakPolarHBondContact O-CD 3.43Å; V110-P113 WeakPolarHBondContact O-CD 3.46Å; P113-A116 PolarHBondContact O-N 2.92Å; P113-V117 PolarHBondContact O-N 3.31Å
114L92Very high91.9Very high13 Ų1345.7 Ų45.77%0.06826%0.258CS..Hα-helixtrans-61.8-45.2173.5-78.9171.4000111.8L98 L100 V110 T111 N112 A116 V117L98-L114 HydrophobicContact CB-CD2 4.29Å; L98-L114 HydrophobicContact CD1-CB 4.44Å; L98-L114 HydrophobicContact CD1-CD2 3.86Å; L98-L114 HydrophobicContact CD1-CG 3.94Å; L98-L114 HydrophobicContact CG-CD2 4.29Å; L100-L114 HydrophobicContact CD1-CD1 4.22Å; V110-L114 HydrophobicContact CG1-CD1 3.68Å; V110-L114 HydrophobicContact CG1-CG 4.29Å; V110-L114 WeakPolarHBondContact O-CB 3.36Å; V110-L114 WeakPolarHBondContact O-CD1 3.49Å; V110-L114 WeakPolarHBondContact O-CG 3.38Å; V110-L114 PolarHBondContact O-N 3.47Å; T111-L114 PolarHBondContact O-N 3.41Å; N112-L114 VanDerWaalsContact C-N 3.34Å; N112-L114 PolarHBondContact O-N 3.15Å; L114-A116 VanDerWaalsContact C-N 3.25Å; L114-A116 PolarHBondContact O-N 3.26Å; L114-V117 PolarHBondContact O-N 3.44Å
115N92.8Very high92Very high77 Ų7744.2 Ų44.241%0.41225%0.248SC..Hα-helixtrans-70.7-23.3177.3-72.7-9.6000112.6T111 N112 V117 P128T111-N115 WeakPolarHBondContact O-CB 3.37Å; T111-N115 VanDerWaalsContact O-CG 3.29Å; T111-N115 PolarHBondContact O-N 2.9Å; N112-N115 PolarHBondContact O-N 3.2Å; N115-V117 VanDerWaalsContact C-N 3.33Å; N115-P128 WeakPolarHBondContact OD1-CD 3.25Å
116A95.5Very high92Very high11 Ų1139.7 Ų39.79%0.09122%0.224CC..Hα-helixtrans-74.8-19.3176.500000113.4L81 V84 Y85 N88 N112 P113 L114 A118L81-A116 HydrophobicContact CD2-CB 3.6Å; V84-A116 HydrophobicContact CG1-CB 3.96Å; Y85-A116 HydrophobicContact CE1-CB 3.89Å; N88-A116 PolarHBondContact ND2-O 3.1Å; N112-A116 WeakPolarHBondContact O-CB 3.47Å; N112-A116 PolarHBondContact O-N 3.12Å; P113-A116 PolarHBondContact O-N 2.92Å; L114-A116 VanDerWaalsContact C-N 3.25Å; L114-A116 PolarHBondContact O-N 3.26Å; A116-A118 PolarHBondContact O-N 3.22Å
117V96.8Very high92.5Very high4 Ų439.1 Ų39.12%0.02422%0.218CC..SBendtrans-66.5123.7172.8-179.70000109V84 I96 L98 P113 L114 N115 T119 K121 D122 N127V84-V117 HydrophobicContact CG1-CG2 3.98Å; I96-V117 HydrophobicContact CB-CG1 3.92Å; I96-V117 HydrophobicContact CB-CG2 4.39Å; I96-V117 HydrophobicContact CD1-CG1 4.35Å; I96-V117 HydrophobicContact CG2-CG1 4.43Å; I96-V117 HydrophobicContact CG2-CG2 4Å; L98-V117 HydrophobicContact CD1-CG2 4.49Å; L98-V117 HydrophobicContact CG-CG2 4.38Å; P113-V117 PolarHBondContact O-N 3.31Å; L114-V117 PolarHBondContact O-N 3.44Å; N115-V117 VanDerWaalsContact C-N 3.33Å; V117-T119 PolarHBondContact O-N 3.07Å; V117-K121 HydrophobicContact CG1-CB 4.49Å; V117-D122 HydrophobicContact CG1-CB 3.89Å; V117-N127 PolarHBondContact O-ND2 3.01Å
118A95.7Very high92.7Very high39 Ų3934 Ų3432%0.32219%0.194SC..  trans-60138.2179.200000110.4N88 A116 L120 K121 D122N88-A118 HydrophobicContact CB-CB 4.21Å; N88-A118 WeakPolarHBondContact OD1-CB 3.19Å; N88-A118 PolarHBondContact OD1-N 2.78Å; A116-A118 PolarHBondContact O-N 3.22Å; A118-L120 PolarHBondContact O-N 3.13Å; A118-L120 VanDerWaalsContact O-N 3.1Å; A118-K121 CarbonylContact O-C 3.58Å; A118-K121 WeakPolarHBondContact O-CA 3.3Å; A118-K121 PolarHBondContact O-N 3.32Å; A118-D122 PolarHBondContact O-N 3.41Å
119T93.4Very high92.6Very high41 Ų4137.4 Ų37.425%0.25221%0.206SC..THydrogen-bonded Turntrans-50-41.7-175.7-54.20000113.6V117 K121 D122 Y129V117-T119 PolarHBondContact O-N 3.07Å; T119-K121 PolarHBondContact O-N 3.2Å; T119-D122 PolarHBondContact O-N 2.99Å; T119-Y129 HydrophobicContact CG2-CD1 3.35Å; T119-Y129 HydrophobicContact CG2-CE1 4.05Å; T119-Y129 HydrophobicContact CG2-CG 3.91Å
120L93.3Very high92.3Very high88 Ų8833.5 Ų33.546%0.46119%0.186SC..THydrogen-bonded Turntrans-70.7-17.7179.2-62.5179.9000113.6A118 H151 S300 W303A118-L120 PolarHBondContact O-N 3.13Å; A118-L120 VanDerWaalsContact O-N 3.1Å; L120-H151 HydrophobicContact CD2-CB 3.46Å; L120-H151 VanDerWaalsContact CD2-CB 3.46Å; L120-S300 WeakPolarHBondContact O-CB 3.33Å; L120-S300 PolarHBondContact O-OG 3.1Å; L120-W303 HydrophobicContact CD2-CE3 3.88Å; L120-W303 HydrophobicContact CD2-CZ3 4.23Å
121K96.4Very high92.2Very high26 Ų2633.9 Ų33.911%0.11319%0.188CC..THydrogen-bonded Turntrans-109-4.8177.2-60.7-169.3-177.1-174.90113.3L87 N88 D90 V93 G95 I96 V117 A118 T119 V123L87-K121 PolarHBondContact O-NZ 2.91Å; N88-K121 VanDerWaalsContact O-CE 3.27Å; N88-K121 WeakPolarHBondContact O-CE 3.36Å; N88-K121 PolarHBondContact O-NZ 3.16Å; D90-K121 PolarHBondContact O-NZ 2.91Å; V93-K121 HydrophobicContact CG1-CD 4.43Å; V93-K121 WeakPolarHBondContact O-CE 3.43Å; V93-K121 PolarHBondContact O-NZ 3.07Å; G95-K121 WeakPolarHBondContact CA-O 3.49Å; I96-K121 HydrophobicContact CD1-CB 4.18Å; I96-K121 HydrophobicContact CD1-CD 4.1Å; I96-K121 HydrophobicContact CG1-CB 4.29Å; I96-K121 PolarHBondContact N-O 3.28Å; V117-K121 HydrophobicContact CG1-CB 4.49Å; A118-K121 CarbonylContact O-C 3.58Å; A118-K121 WeakPolarHBondContact O-CA 3.3Å; A118-K121 PolarHBondContact O-N 3.32Å; T119-K121 PolarHBondContact O-N 3.2Å; K121-V123 PolarHBondContact O-N 3.22Å
122D95.5Very high92.1Very high6 Ų632.1 Ų32.13%0.03218%0.18CC..BIsolated β-bridgetrans-74.875.3173.4170.136.5000110.6V117 A118 T119 E124 G125 L126 N127 N130 H153V117-D122 HydrophobicContact CG1-CB 3.89Å; A118-D122 PolarHBondContact O-N 3.41Å; T119-D122 PolarHBondContact O-N 2.99Å; D122-E124 PolarHBondContact O-N 2.96Å; D122-G125 PolarHBondContact O-N 3.47Å; D122-G125 VanDerWaalsContact O-N 3.08Å; D122-G125 PolarHBondContact OD1-N 2.96Å; D122-G125 WeakPolarHBondContact OD2-CA 3.07Å; D122-L126 PolarHBondContact OD1-N 3.19Å; D122-L126 PolarHBondContact OD2-N 2.99Å; D122-N127 HydrophobicContact CB-CB 4.22Å; D122-N127 WeakPolarHBondContact OD2-CB 3.47Å; D122-N127 PolarHBondContact OD2-N 2.95Å; D122-N130 PolarHBondContact OD2-ND2 3.11Å; D122-H153 PolarHBondContact O-CD2 3.24Å
123V96.1Very high91.8Very high0 Ų029.7 Ų29.70%017%0.167CC..THydrogen-bonded Turntrans-73.6-11.3-176.9-66.60000113.1L37 G95 K121 G125 C156 L293 N296L37-V123 HydrophobicContact CD1-CG2 3.62Å; G95-V123 VanDerWaalsContact CA-CG1 3.5Å; K121-V123 PolarHBondContact O-N 3.22Å; V123-G125 VanDerWaalsContact C-N 3.32Å; V123-C156 PolarHBondContact O-SG 3.43Å; V123-L293 HydrophobicContact CB-CD1 4.14Å; V123-L293 HydrophobicContact CG2-CD1 3.49Å; V123-L293 VanDerWaalsContact CG2-CD1 3.49Å; V123-L293 HydrophobicContact CG2-CG 4.49Å; V123-N296 HydrophobicContact CB-CB 3.87Å; V123-N296 HydrophobicContact CG1-CB 4.25Å; V123-N296 VanDerWaalsContact O-CB 3.26Å; V123-N296 WeakPolarHBondContact O-CB 3.46Å; V123-N296 PolarHBondContact O-ND2 2.9Å
124E94.5Very high91.6Very high34 Ų3429.7 Ų29.716%0.15917%0.167CC..THydrogen-bonded Turntrans-77.3-21.8169.4-63-143.7144.600112.2T97 D122 L126 P155 C156 L293T97-E124 PolarHBondContact OG1-OE1 3.39Å; D122-E124 PolarHBondContact O-N 2.96Å; E124-L126 HydrophobicContact CB-CD1 3.85Å; E124-L126 HydrophobicContact CB-CG 3.83Å; E124-L126 WeakPolarHBondContact OE2-CD1 3.39Å; E124-P155 VanDerWaalsContact O-CA 3.22Å; E124-P155 WeakPolarHBondContact O-CA 3.34Å; E124-C156 PolarHBondContact O-N 3.37Å; E124-L293 HydrophobicContact CG-CD1 3.89Å
125G92.9Very high91.4Very high0 Ų031.2 Ų31.20%018%0.179CC..  trans79.620.7179.200000114D122 V123 N130 P155D122-G125 PolarHBondContact O-N 3.47Å; D122-G125 VanDerWaalsContact O-N 3.08Å; D122-G125 PolarHBondContact OD1-N 2.96Å; D122-G125 WeakPolarHBondContact OD2-CA 3.07Å; V123-G125 VanDerWaalsContact C-N 3.32Å; G125-N130 WeakPolarHBondContact O-CB 3.35Å; G125-P155 WeakPolarHBondContact O-CG 3.42Å
126L88.5Confident91.2Very high26 Ų2636.5 Ų36.514%0.13619%0.193CC..  trans-96.1-6.1-169.2-59.3177.1000114.4D122 E124 L185D122-L126 PolarHBondContact OD1-N 3.19Å; D122-L126 PolarHBondContact OD2-N 2.99Å; E124-L126 HydrophobicContact CB-CD1 3.85Å; E124-L126 HydrophobicContact CB-CG 3.83Å; E124-L126 WeakPolarHBondContact OE2-CD1 3.39Å; L126-L185 HydrophobicContact CD1-CD2 3.36Å; L126-L185 HydrophobicContact CD2-CD2 3.9Å; L126-L185 HydrophobicContact CG-CD2 4.28Å
127N86.8Confident90.5Very high18 Ų1836.7 Ų36.710%0.09620%0.196CC..SBendtrans-63144.8176.7-176.3-72.6000110.7V117 D122 Y129 N130 T131V117-N127 PolarHBondContact O-ND2 3.01Å; D122-N127 HydrophobicContact CB-CB 4.22Å; D122-N127 WeakPolarHBondContact OD2-CB 3.47Å; D122-N127 PolarHBondContact OD2-N 2.95Å; N127-Y129 PolarHBondContact O-N 3.39Å; N127-Y129 VanDerWaalsContact O-N 3.07Å; N127-Y129 WeakPolarHBondContact OD1-CB 3.07Å; N127-Y129 PolarHBondContact OD1-N 2.76Å; N127-N130 PolarHBondContact O-N 2.86Å; N127-T131 PolarHBondContact O-N 2.99Å; N127-T131 PolarHBondContact O-OG1 3.4Å
128P87.1Confident90Very high68 Ų6837.4 Ų37.444%0.44220%0.2SC..Hα-helixtrans-50.2-33.2177.1-30.836.4000115N115 T131 A132N115-P128 WeakPolarHBondContact OD1-CD 3.25Å; P128-T131 WeakPolarHBondContact CA-OG1 3.4Å; P128-T131 PolarHBondContact O-OG1 3.37Å; P128-A132 WeakPolarHBondContact O-CB 3.34Å; P128-A132 PolarHBondContact O-N 3.14Å
129Y88.2Confident89.4Confident92 Ų9235.7 Ų35.736%0.36119%0.185SC..Hα-helixtrans-64.1-50.4175.3178.4-90.6000112.1T119 N127 T131 A132 V133 V152T119-Y129 HydrophobicContact CG2-CD1 3.35Å; T119-Y129 HydrophobicContact CG2-CE1 4.05Å; T119-Y129 HydrophobicContact CG2-CG 3.91Å; N127-Y129 PolarHBondContact O-N 3.39Å; N127-Y129 VanDerWaalsContact O-N 3.07Å; N127-Y129 WeakPolarHBondContact OD1-CB 3.07Å; N127-Y129 PolarHBondContact OD1-N 2.76Å; Y129-T131 VanDerWaalsContact C-N 3.32Å; Y129-T131 PolarHBondContact O-N 3.47Å; Y129-A132 PolarHBondContact O-N 3.31Å; Y129-V133 HydrophobicContact CD1-CG2 4.3Å; Y129-V133 HydrophobicContact CE1-CG2 3.89Å; Y129-V133 HydrophobicContact CE2-CG2 4.19Å; Y129-V133 WeakPolarHBondContact O-CG2 3.41Å; Y129-V133 PolarHBondContact O-N 3.44Å; Y129-V152 HydrophobicContact CE1-CG2 3.81Å
130N85.7Confident89Confident0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-61-42.7-178.2-75.4-35.7000111D122 G125 N127 V133 L134 H153D122-N130 PolarHBondContact OD2-ND2 3.11Å; G125-N130 WeakPolarHBondContact O-CB 3.35Å; N127-N130 PolarHBondContact O-N 2.86Å; N130-V133 PolarHBondContact O-N 3.14Å; N130-L134 VanDerWaalsContact O-CB 3.29Å; N130-L134 WeakPolarHBondContact O-CB 3.46Å; N130-L134 PolarHBondContact O-N 3.35Å; N130-H153 PolarHBondContact OD1-N 3.18Å
131T86.4Confident88.3Confident44 Ų4430.7 Ų30.727%0.2716%0.158SC..Hα-helixtrans-68.7-37.2177.256.80000112.9N127 P128 Y129 L134 S135N127-T131 PolarHBondContact O-N 2.99Å; N127-T131 PolarHBondContact O-OG1 3.4Å; P128-T131 WeakPolarHBondContact CA-OG1 3.4Å; P128-T131 PolarHBondContact O-OG1 3.37Å; Y129-T131 VanDerWaalsContact C-N 3.32Å; Y129-T131 PolarHBondContact O-N 3.47Å; T131-L134 PolarHBondContact O-N 3.25Å; T131-S135 PolarHBondContact O-N 3.42Å; T131-S135 VanDerWaalsContact O-N 3.07Å; T131-S135 PolarHBondContact O-OG 3.15Å
132A88.7Confident86.7Confident22 Ų2231.7 Ų31.718%0.18217%0.167CC..Hα-helixtrans-64.6-41.6174.700000112.8P128 Y129 S135 R136P128-A132 WeakPolarHBondContact O-CB 3.34Å; P128-A132 PolarHBondContact O-N 3.14Å; Y129-A132 PolarHBondContact O-N 3.31Å; A132-S135 PolarHBondContact O-OG 3.37Å; A132-S135 VanDerWaalsContact O-OG 3.09Å; A132-R136 VanDerWaalsContact CB-NH2 3.3Å; A132-R136 WeakPolarHBondContact O-CB 3.32Å; A132-R136 WeakPolarHBondContact O-CG 3.49Å; A132-R136 PolarHBondContact O-N 3.16Å; A132-R136 PolarHBondContact O-NE 3.43Å
133V87.8Confident85.2Confident15 Ų1537.4 Ų37.49%0.09119%0.189CC..Hα-helixtrans-70.8-39.8176.6176.60000110.8Y129 N130 S135 R136 G137 I139 V152Y129-V133 HydrophobicContact CD1-CG2 4.3Å; Y129-V133 HydrophobicContact CE1-CG2 3.89Å; Y129-V133 HydrophobicContact CE2-CG2 4.19Å; Y129-V133 WeakPolarHBondContact O-CG2 3.41Å; Y129-V133 PolarHBondContact O-N 3.44Å; N130-V133 PolarHBondContact O-N 3.14Å; V133-S135 VanDerWaalsContact C-N 3.35Å; V133-S135 PolarHBondContact O-N 3.17Å; V133-R136 PolarHBondContact O-N 2.98Å; V133-G137 WeakPolarHBondContact O-CA 3.43Å; V133-G137 PolarHBondContact O-N 3.31Å; V133-I139 HydrophobicContact CG1-CG2 3.76Å; V133-V152 HydrophobicContact CB-CG1 4.17Å; V133-V152 HydrophobicContact CB-CG2 3.91Å; V133-V152 HydrophobicContact CG1-CB 4.37Å; V133-V152 HydrophobicContact CG1-CG1 4.08Å; V133-V152 HydrophobicContact CG1-CG2 3.61Å; V133-V152 HydrophobicContact CG2-CG2 4.03Å
134L88.7Confident83.8Confident0 Ų039.5 Ų39.50%020%0.204CC..Hα-helixtrans-58.6-43.1177.2-176.567.1000112.9N130 T131 I139 I154 P155 P189 D192 L193N130-L134 VanDerWaalsContact O-CB 3.29Å; N130-L134 WeakPolarHBondContact O-CB 3.46Å; N130-L134 PolarHBondContact O-N 3.35Å; T131-L134 PolarHBondContact O-N 3.25Å; L134-I139 HydrophobicContact CD1-CD1 3.34Å; L134-I139 HydrophobicContact CD1-CG1 3.93Å; L134-I154 HydrophobicContact CD1-CG2 4.43Å; L134-P155 HydrophobicContact CD2-CG 3.91Å; L134-P189 HydrophobicContact CD2-CB 3.57Å; L134-P189 WeakPolarHBondContact CD2-O 3.45Å; L134-D192 HydrophobicContact CD2-CB 4.33Å; L134-D192 HydrophobicContact CG-CB 4.11Å; L134-L193 HydrophobicContact CD1-CB 4.03Å; L134-L193 HydrophobicContact CD1-CD1 3.9Å
135S89.5Confident81.9Confident44 Ų4445.5 Ų45.531%0.30823%0.232SC..Hα-helixtrans-75.3-26.2-179.152.20000113.7T131 A132 V133T131-S135 PolarHBondContact O-N 3.42Å; T131-S135 VanDerWaalsContact O-N 3.07Å; T131-S135 PolarHBondContact O-OG 3.15Å; A132-S135 PolarHBondContact O-OG 3.37Å; A132-S135 VanDerWaalsContact O-OG 3.09Å; V133-S135 VanDerWaalsContact C-N 3.35Å; V133-S135 PolarHBondContact O-N 3.17Å
136R87.3Confident80.3Confident188 Ų18851.7 Ų51.771%0.70927%0.265SS*.Hα-helixtrans-104.3-31.5-173.7-64.5-177.6-114.4-160-6.4113.9A132 V133 R196A132-R136 VanDerWaalsContact CB-NH2 3.3Å; A132-R136 WeakPolarHBondContact O-CB 3.32Å; A132-R136 WeakPolarHBondContact O-CG 3.49Å; A132-R136 PolarHBondContact O-N 3.16Å; A132-R136 PolarHBondContact O-NE 3.43Å; V133-R136 PolarHBondContact O-N 2.98Å; R136-R196 PolarHBondContact O-NE 3.24Å
137G82Confident78.8Confident16 Ų1650.9 Ų50.917%0.16526%0.261CS..SBendtrans-98.9151.5-174.200000113.8V133 I139 R196V133-G137 WeakPolarHBondContact O-CA 3.43Å; V133-G137 PolarHBondContact O-N 3.31Å; G137-I139 VanDerWaalsContact C-N 3.25Å; G137-I139 PolarHBondContact O-N 3.36Å; G137-I139 VanDerWaalsContact O-N 3.13Å; G137-R196 WeakPolarHBondContact O-CG 3.45Å
138D84.7Confident77.5Confident19 Ų1955.9 Ų55.910%0.10228%0.282CS..  trans-82.676.8163-169.7-21.1000108.3L140 C141 Y317 K325D138-L140 PolarHBondContact O-N 3.18Å; D138-L140 VanDerWaalsContact O-N 3.15Å; D138-C141 HydrophobicContact CB-CB 3.88Å; D138-C141 WeakPolarHBondContact O-CB 3.14Å; D138-C141 PolarHBondContact O-N 2.84Å; D138-C141 VanDerWaalsContact O-N 3.07Å; D138-C141 WeakPolarHBondContact OD1-CB 3.18Å; D138-C141 PolarHBondContact OD1-N 3.33Å; D138-C141 VanDerWaalsContact OD1-N 3.15Å; D138-Y317 PolarHBondContact OD2-OH 2.93Å; D138-K325 IonicContact OD2-NZ 3.44Å; D138-K325 PolarHBondContact OD2-NZ 3.01Å; D138-K325 VanDerWaalsContact OD2-NZ 3.1Å
139I84.5Confident76.3Confident2 Ų260.6 Ų60.61%0.0130%0.298CS..THydrogen-bonded Turntrans-69.3-11.3-17259.7145.2000113.6V133 L134 G137 I154 L193 S197 I311V133-I139 HydrophobicContact CG1-CG2 3.76Å; L134-I139 HydrophobicContact CD1-CD1 3.34Å; L134-I139 HydrophobicContact CD1-CG1 3.93Å; G137-I139 VanDerWaalsContact C-N 3.25Å; G137-I139 PolarHBondContact O-N 3.36Å; G137-I139 VanDerWaalsContact O-N 3.13Å; I139-I154 HydrophobicContact CD1-CB 4.42Å; I139-I154 HydrophobicContact CD1-CD1 3.46Å; I139-I154 VanDerWaalsContact CD1-CD1 3.46Å; I139-I154 HydrophobicContact CD1-CG1 3.4Å; I139-I154 VanDerWaalsContact CD1-CG1 3.4Å; I139-I154 HydrophobicContact CD1-CG2 4.5Å; I139-L193 HydrophobicContact CD1-CD1 3.99Å; I139-L193 HydrophobicContact CG1-CD1 4.26Å; I139-S197 VanDerWaalsContact CG1-OG 3.29Å; I139-S197 WeakPolarHBondContact CG1-OG 3.43Å; I139-S197 PolarHBondContact N-OG 2.84Å; I139-I311 HydrophobicContact CD1-CG2 4.46Å; I139-I311 VanDerWaalsContact O-CD1 3.31Å; I139-I311 WeakPolarHBondContact O-CD1 3.4Å; I139-I311 WeakPolarHBondContact O-CG2 3.21Å
140L83.9Confident75.5Confident9 Ų959.2 Ų59.25%0.04730%0.295CS..THydrogen-bonded Turntrans-93.8-11.9175.1-63.4179.4000112.6D138 P142 I154 Y162 L193 C312 Y317D138-L140 PolarHBondContact O-N 3.18Å; D138-L140 VanDerWaalsContact O-N 3.15Å; L140-P142 VanDerWaalsContact O-CD 3.22Å; L140-P142 WeakPolarHBondContact O-CD 3.28Å; L140-I154 HydrophobicContact CD2-CD1 3.85Å; L140-Y162 HydrophobicContact CD1-CD1 4.31Å; L140-Y162 HydrophobicContact CD1-CD2 4.49Å; L140-Y162 HydrophobicContact CD1-CE1 3.7Å; L140-Y162 HydrophobicContact CD1-CE2 3.93Å; L140-Y162 VanDerWaalsContact CD1-CZ 3.48Å; L140-Y162 HydrophobicContact CD2-CE1 4.07Å; L140-L193 HydrophobicContact CD1-CD1 4.06Å; L140-L193 HydrophobicContact CG-CD1 4.23Å; L140-C312 HydrophobicContact CD2-CB 4.03Å; L140-Y317 WeakPolarHBondContact O-CE2 3.44Å
141C78.3Confident75.4Confident15 Ų1561.4 Ų61.410%0.10131%0.305CS..  trans-77107.9175.2169.90000110.5D138 Y143 C144 Y317D138-C141 HydrophobicContact CB-CB 3.88Å; D138-C141 WeakPolarHBondContact O-CB 3.14Å; D138-C141 PolarHBondContact O-N 2.84Å; D138-C141 VanDerWaalsContact O-N 3.07Å; D138-C141 WeakPolarHBondContact OD1-CB 3.18Å; D138-C141 PolarHBondContact OD1-N 3.33Å; D138-C141 VanDerWaalsContact OD1-N 3.15Å; C141-Y143 PolarHBondContact O-N 2.93Å; C141-C144 HydrophobicContact CB-CB 3.84Å; C141-C144 WeakPolarHBondContact CB-SG 3.49Å; C141-C144 PolarHBondContact O-N 3.2Å; C141-C144 WeakPolarHBondContact SG-CB 3.3Å; C141-C144 PolarHBondContact SG-N 3.43Å; C141-C144 CovalentContact SG-SG 2.06Å; C141-C144 PolarHBondContact SG-SG 2.9Å; C141-Y317 HydrophobicContact CB-CE2 4.25Å
142P63.9Low75.4Confident47 Ų4759.5 Ų59.531%0.30529%0.293SS..THydrogen-bonded Turntrans-71.8-17.1-178.330.7-35000112.7L140 K148 Y317L140-P142 VanDerWaalsContact O-CD 3.22Å; L140-P142 WeakPolarHBondContact O-CD 3.28Å; P142-K148 WeakPolarHBondContact O-CE 3.42Å; P142-K148 VanDerWaalsContact O-CG 3.3Å; P142-K148 WeakPolarHBondContact O-CG 3.39Å; P142-Y317 HydrophobicContact CG-CD2 4.48Å
143Y64.1Low75.5Confident126 Ų12658.5 Ų58.549%0.49429%0.285SS..THydrogen-bonded Turntrans-94.7-13.4-176.6-57.5-69.3000113.7C141 E145 I322C141-Y143 PolarHBondContact O-N 2.93Å; Y143-E145 PolarHBondContact O-N 3.11Å; Y143-E145 VanDerWaalsContact O-N 3.09Å; Y143-I322 HydrophobicContact CD2-CD1 4.08Å; Y143-I322 HydrophobicContact CE2-CD1 4.19Å
144C65.4Low75.7Confident45 Ų4557.9 Ų57.930%0.30428%0.281SS..  trans-70.5107.8-177.9-67.50000109.1C141 N146 V147 K148C141-C144 HydrophobicContact CB-CB 3.84Å; C141-C144 WeakPolarHBondContact CB-SG 3.49Å; C141-C144 PolarHBondContact O-N 3.2Å; C141-C144 WeakPolarHBondContact SG-CB 3.3Å; C141-C144 PolarHBondContact SG-N 3.43Å; C141-C144 CovalentContact SG-SG 2.06Å; C141-C144 PolarHBondContact SG-SG 2.9Å; C144-N146 PolarHBondContact O-N 3.03Å; C144-N146 VanDerWaalsContact O-N 3.17Å; C144-V147 HydrophobicContact CB-CB 4.37Å; C144-V147 HydrophobicContact CB-CG2 4.22Å; C144-V147 PolarHBondContact O-N 3.41Å; C144-K148 PolarHBondContact O-N 2.88Å; C144-K148 VanDerWaalsContact O-N 3.14Å
145E54.7Low76Confident159 Ų15957.9 Ų57.974%0.74328%0.281SS*.Hα-helixtrans-52.7-40.6-173.1-77.4-175.5157.600112.9Y143 V147 K148Y143-E145 PolarHBondContact O-N 3.11Å; Y143-E145 VanDerWaalsContact O-N 3.09Å; E145-V147 PolarHBondContact O-N 2.9Å; E145-K148 PolarHBondContact O-N 3.24Å
146N60.2Low76.3Confident131 Ų13156.3 Ų56.370%0.70127%0.27SS*.Hα-helixtrans-61.1-25.8178.5-66.7-26.2000113.1C144 Q150C144-N146 PolarHBondContact O-N 3.03Å; C144-N146 VanDerWaalsContact O-N 3.17Å; N146-Q150 WeakPolarHBondContact O-CG 3.41Å; N146-Q150 PolarHBondContact O-NE2 2.82Å
147V58Low76.7Confident9 Ų948.7 Ų48.76%0.05524%0.244CC..Hα-helixtrans-94.7-35.6-177.4176.70000111.4C144 E145 Q149 Q150 I311C144-V147 HydrophobicContact CB-CB 4.37Å; C144-V147 HydrophobicContact CB-CG2 4.22Å; C144-V147 PolarHBondContact O-N 3.41Å; E145-V147 PolarHBondContact O-N 2.9Å; V147-Q149 PolarHBondContact O-N 3.32Å; V147-Q150 PolarHBondContact O-N 3.48Å; V147-I311 HydrophobicContact CG1-CD1 3.26Å
148K58.4Low77.3Confident123 Ų12347.9 Ų47.954%0.53524%0.236SC..Hα-helixtrans-53.8-31.7179.4-81-172.1179.1176.30113.4P142 C144 E145P142-K148 WeakPolarHBondContact O-CE 3.42Å; P142-K148 VanDerWaalsContact O-CG 3.3Å; P142-K148 WeakPolarHBondContact O-CG 3.39Å; C144-K148 PolarHBondContact O-N 2.88Å; C144-K148 VanDerWaalsContact O-N 3.14Å; E145-K148 PolarHBondContact O-N 3.24Å
149Q61.7Low77.8Confident166 Ų16647.1 Ų47.178%0.77623%0.233SC*.THydrogen-bonded Turntrans-89.8-10.2-177.6-63.1-101.48.200112.9V147V147-Q149 PolarHBondContact O-N 3.32Å
150Q72Confident78.5Confident64 Ų6447 Ų4730%0.29923%0.232SC..  trans-101.2116.4-171.6-69179.50.600111.5N146 V147 V152N146-Q150 WeakPolarHBondContact O-CG 3.41Å; N146-Q150 PolarHBondContact O-NE2 2.82Å; V147-Q150 PolarHBondContact O-N 3.48Å; Q150-V152 HydrophobicContact CB-CG2 3.76Å; Q150-V152 PolarHBondContact O-N 3.09Å; Q150-V152 VanDerWaalsContact O-N 3.07Å
151H83.9Confident79.2Confident46 Ų4646.6 Ų46.621%0.21323%0.23CC..  trans-75.891.1169.6-68.7164.7000110L120 W303 N308L120-H151 HydrophobicContact CD2-CB 3.46Å; L120-H151 VanDerWaalsContact CD2-CB 3.46Å; H151-W303 VanDerWaalsContact C-CH2 3.5Å; H151-W303 HydrophobicContact CB-CD2 3.64Å; H151-W303 HydrophobicContact CB-CE3 3.69Å; H151-W303 HydrophobicContact CB-CG 4.24Å; H151-W303 HydrophobicContact CB-CH2 3.9Å; H151-W303 HydrophobicContact CB-CZ2 3.88Å; H151-W303 HydrophobicContact CB-CZ3 3.8Å; H151-W303 AromaticContact CD2-CD1 3.42Å; H151-W303 VanDerWaalsContact CD2-CD1 3.42Å; H151-W303 AromaticContact CD2-CD2 3.96Å; H151-W303 AromaticContact CD2-CE2 3.76Å; H151-W303 AromaticContact CD2-CG 3.77Å; H151-W303 AromaticContact CD2-NE1 3.41Å; H151-W303 PolarHBondContact CD2-NE1 3.46Å; H151-W303 AromaticContact CE1-CD1 3.81Å; H151-W303 AromaticContact CE1-CG 3.75Å; H151-W303 AromaticContact CG-CD1 3.74Å; H151-W303 AromaticContact CG-CD2 3.55Å; H151-W303 AromaticContact CG-CE2 3.71Å; H151-W303 AromaticContact CG-CG 3.6Å; H151-W303 AromaticContact CG-NE1 3.82Å; H151-W303 AromaticContact ND1-CD1 3.99Å; H151-W303 AromaticContact ND1-CD2 3.92Å; H151-W303 AromaticContact ND1-CG 3.6Å; H151-W303 AromaticContact NE2-CD1 3.46Å; H151-W303 AromaticContact NE2-CG 3.85Å; H151-W303 AromaticContact NE2-NE1 3.92Å; H151-N308 PolarHBondContact NE2-OD1 3.35Å
152V86Confident80.1Confident4 Ų447 Ų472%0.02423%0.229CC..  trans-122.8132.5-174.8175.40000109.9Y129 V133 Q150Y129-V152 HydrophobicContact CE1-CG2 3.81Å; V133-V152 HydrophobicContact CB-CG1 4.17Å; V133-V152 HydrophobicContact CB-CG2 3.91Å; V133-V152 HydrophobicContact CG1-CB 4.37Å; V133-V152 HydrophobicContact CG1-CG1 4.08Å; V133-V152 HydrophobicContact CG1-CG2 3.61Å; V133-V152 HydrophobicContact CG2-CG2 4.03Å; Q150-V152 HydrophobicContact CB-CG2 3.76Å; Q150-V152 PolarHBondContact O-N 3.09Å; Q150-V152 VanDerWaalsContact O-N 3.07Å
153H91.2Very high81.6Confident1 Ų145.5 Ų45.51%0.00522%0.221CC..PPolyproline II helixtrans-94.4130.5170.5-72.4-49.9000110.3D122 N130 N296 S300 W303D122-H153 PolarHBondContact O-CD2 3.24Å; N130-H153 PolarHBondContact OD1-N 3.18Å; H153-N296 PolarHBondContact CE1-O 2.94Å; H153-N296 WeakPolarHBondContact ND1-CB 3.45Å; H153-S300 PolarHBondContact CE1-OG 3.19Å; H153-S300 PolarHBondContact NE2-OG 3.23Å; H153-W303 AromaticContact CD2-CH2 3.86Å; H153-W303 AromaticContact CD2-CZ3 3.73Å; H153-W303 AromaticContact CE1-CH2 3.15Å; H153-W303 WeakPolarHBondContact CE1-CH2 3.22Å; H153-W303 AromaticContact CE1-CZ2 3.98Å; H153-W303 AromaticContact CE1-CZ3 3.3Å; H153-W303 WeakPolarHBondContact CE1-CZ3 3.44Å; H153-W303 AromaticContact CG-CH2 3.87Å; H153-W303 AromaticContact ND1-CH2 3.47Å; H153-W303 WeakPolarHBondContact ND1-CH2 3.33Å; H153-W303 AromaticContact NE2-CH2 3.45Å; H153-W303 WeakPolarHBondContact NE2-CH2 3.48Å; H153-W303 AromaticContact NE2-CZ3 3.13Å; H153-W303 WeakPolarHBondContact NE2-CZ3 3.23Å
154I92Very high83.3Confident1 Ų139.5 Ų39.51%0.00520%0.198CC..PPolyproline II helixtrans-71.7132.5164.6-46.4-168.3000107.8L134 I139 L140 C156 A158 A159 L193 N296 I311L134-I154 HydrophobicContact CD1-CG2 4.43Å; I139-I154 HydrophobicContact CD1-CB 4.42Å; I139-I154 HydrophobicContact CD1-CD1 3.46Å; I139-I154 VanDerWaalsContact CD1-CD1 3.46Å; I139-I154 HydrophobicContact CD1-CG1 3.4Å; I139-I154 VanDerWaalsContact CD1-CG1 3.4Å; I139-I154 HydrophobicContact CD1-CG2 4.5Å; L140-I154 HydrophobicContact CD2-CD1 3.85Å; I154-C156 PolarHBondContact O-N 2.77Å; I154-A158 HydrophobicContact CG2-CB 4.45Å; I154-A159 HydrophobicContact CB-CB 4.07Å; I154-A159 HydrophobicContact CG2-CB 3.85Å; I154-L193 HydrophobicContact CD1-CD1 4.35Å; I154-L193 HydrophobicContact CG2-CD1 4.44Å; I154-L193 HydrophobicContact CG2-CD2 3.98Å; I154-N296 PolarHBondContact O-ND2 2.96Å; I154-N296 VanDerWaalsContact O-ND2 3.13Å; I154-I311 HydrophobicContact CD1-CG2 3.9Å; I154-I311 HydrophobicContact CG1-CG2 3.91Å
155P94.3Very high84.8Confident0 Ų037.4 Ų37.40%018%0.184CC..PPolyproline II helixtrans-48.7131.3172.6-30.136.3000112.1E124 G125 L134 T157 A158 A159 P189E124-P155 VanDerWaalsContact O-CA 3.22Å; E124-P155 WeakPolarHBondContact O-CA 3.34Å; G125-P155 WeakPolarHBondContact O-CG 3.42Å; L134-P155 HydrophobicContact CD2-CG 3.91Å; P155-T157 VanDerWaalsContact C-N 3.29Å; P155-T157 PolarHBondContact O-N 3.32Å; P155-A158 HydrophobicContact CB-CB 4.14Å; P155-A158 PolarHBondContact O-N 3.04Å; P155-A158 VanDerWaalsContact O-N 3.11Å; P155-A159 WeakPolarHBondContact O-CB 3.4Å; P155-A159 PolarHBondContact O-N 3.21Å; P155-P189 HydrophobicContact CB-CB 3.95Å; P155-P189 HydrophobicContact CB-CG 4.19Å; P155-P189 HydrophobicContact CG-CB 3.61Å; P155-P189 HydrophobicContact CG-CG 4.27Å
156C95.4Very high86.8Confident11 Ų1132.7 Ų32.77%0.07416%0.159CC..Hα-helixtrans-56.3-42.2-166.4-72.10000113.4V123 E124 I154 A160 M292 L293V123-C156 PolarHBondContact O-SG 3.43Å; E124-C156 PolarHBondContact O-N 3.37Å; I154-C156 PolarHBondContact O-N 2.77Å; C156-A160 WeakPolarHBondContact O-CB 3.29Å; C156-A160 PolarHBondContact O-N 2.92Å; C156-M292 HydrophobicContact CB-CB 4.15Å; C156-L293 WeakPolarHBondContact SG-CA 3.37Å; C156-L293 PolarHBondContact SG-N 3.24Å; C156-L293 VanDerWaalsContact SG-N 3.44Å
157T95.3Very high88.5Confident28 Ų2830.2 Ų30.217%0.17214%0.143CC..Hα-helixtrans-76.4-35-178.7-46.20000112.3P155 A160 C161 V186 C246 V285P155-T157 VanDerWaalsContact C-N 3.29Å; P155-T157 PolarHBondContact O-N 3.32Å; T157-A160 WeakPolarHBondContact O-CB 3.15Å; T157-A160 PolarHBondContact O-N 3.14Å; T157-C161 PolarHBondContact O-N 3.1Å; T157-C161 PolarHBondContact O-SG 3.24Å; T157-V186 HydrophobicContact CG2-CB 4.18Å; T157-V186 HydrophobicContact CG2-CG1 3.7Å; T157-V186 HydrophobicContact CG2-CG2 3.54Å; T157-C246 HydrophobicContact CG2-CB 4.34Å; T157-V285 HydrophobicContact CG2-CG1 3.56Å
158A95.8Very high90.3Very high0 Ų030.8 Ų30.80%015%0.146CC..Hα-helixtrans-63.4-43.2171.200000111.2I154 P155 A160 C161 Y162 P189 T190 L193I154-A158 HydrophobicContact CG2-CB 4.45Å; P155-A158 HydrophobicContact CB-CB 4.14Å; P155-A158 PolarHBondContact O-N 3.04Å; P155-A158 VanDerWaalsContact O-N 3.11Å; A158-A160 VanDerWaalsContact C-N 3.29Å; A158-A160 PolarHBondContact O-N 3.32Å; A158-C161 WeakPolarHBondContact O-CB 3.44Å; A158-C161 PolarHBondContact O-N 2.82Å; A158-Y162 PolarHBondContact O-N 3.15Å; A158-P189 HydrophobicContact CB-CB 4.2Å; A158-T190 WeakPolarHBondContact CA-OG1 3.37Å; A158-T190 WeakPolarHBondContact CB-OG1 3.43Å; A158-L193 HydrophobicContact CB-CD2 4.24Å
159A95.9Very high92.1Very high3 Ų330.4 Ų30.43%0.02515%0.15CC..Hα-helixtrans-61.9-35.917300000112.3I154 P155 A163 M292I154-A159 HydrophobicContact CB-CB 4.07Å; I154-A159 HydrophobicContact CG2-CB 3.85Å; P155-A159 WeakPolarHBondContact O-CB 3.4Å; P155-A159 PolarHBondContact O-N 3.21Å; A159-A163 WeakPolarHBondContact O-CB 3.16Å; A159-A163 PolarHBondContact O-N 3.28Å; A159-M292 HydrophobicContact CB-CB 4.28Å; A159-M292 HydrophobicContact CB-CG 3.85Å; A159-M292 HydrophobicContact CB-SD 4.16Å
160A97.9Very high93.7Very high0 Ų023.6 Ų23.60%012%0.118CC..Hα-helixtrans-65.7-44.3174.100000112.2C156 T157 A158 Y162 A163 F164 V285 V288C156-A160 WeakPolarHBondContact O-CB 3.29Å; C156-A160 PolarHBondContact O-N 2.92Å; T157-A160 WeakPolarHBondContact O-CB 3.15Å; T157-A160 PolarHBondContact O-N 3.14Å; A158-A160 VanDerWaalsContact C-N 3.29Å; A158-A160 PolarHBondContact O-N 3.32Å; A160-Y162 VanDerWaalsContact C-N 3.34Å; A160-Y162 PolarHBondContact O-N 3.15Å; A160-A163 WeakPolarHBondContact O-CB 3.29Å; A160-A163 PolarHBondContact O-N 3.07Å; A160-A163 VanDerWaalsContact O-N 3.15Å; A160-F164 VanDerWaalsContact O-CD2 3.29Å; A160-F164 WeakPolarHBondContact O-CD2 3.42Å; A160-F164 PolarHBondContact O-N 3.22Å; A160-F164 VanDerWaalsContact O-N 3.14Å; A160-V285 HydrophobicContact CB-CG1 4.12Å; A160-V288 HydrophobicContact CB-CB 3.82Å; A160-V288 HydrophobicContact CB-CG1 3.64Å
161C98Very high94.9Very high0 Ų025.4 Ų25.40%014%0.135CC..Hα-helixtrans-58.3-47.9174.6-64.20000111.2T157 A158 A163 F164 I165 T190 I223 I244 C246T157-C161 PolarHBondContact O-N 3.1Å; T157-C161 PolarHBondContact O-SG 3.24Å; A158-C161 WeakPolarHBondContact O-CB 3.44Å; A158-C161 PolarHBondContact O-N 2.82Å; C161-A163 VanDerWaalsContact C-N 3.27Å; C161-A163 PolarHBondContact O-N 2.84Å; C161-F164 PolarHBondContact O-N 3.42Å; C161-F164 VanDerWaalsContact O-N 3.16Å; C161-I165 PolarHBondContact O-N 3.13Å; C161-I165 VanDerWaalsContact O-N 3.14Å; C161-T190 HydrophobicContact CB-CG2 3.95Å; C161-I223 HydrophobicContact CB-CD1 4.14Å; C161-I244 HydrophobicContact CB-CD1 4.32Å; C161-I244 HydrophobicContact CB-CG2 4.47Å; C161-I244 WeakPolarHBondContact O-CD1 3.3Å; C161-C246 PolarHBondContact SG-SG 3.19Å
162Y97Very high95.5Very high22 Ų2224.1 Ų24.19%0.08613%0.13CC..Hα-helixtrans-60.7-36.8176.2-178.1-117.6000112.5L140 A158 A160 F164 I165 R166 L193 L194 C198L140-Y162 HydrophobicContact CD1-CD1 4.31Å; L140-Y162 HydrophobicContact CD1-CD2 4.49Å; L140-Y162 HydrophobicContact CD1-CE1 3.7Å; L140-Y162 HydrophobicContact CD1-CE2 3.93Å; L140-Y162 VanDerWaalsContact CD1-CZ 3.48Å; L140-Y162 HydrophobicContact CD2-CE1 4.07Å; A158-Y162 PolarHBondContact O-N 3.15Å; A160-Y162 VanDerWaalsContact C-N 3.34Å; A160-Y162 PolarHBondContact O-N 3.15Å; Y162-F164 VanDerWaalsContact C-N 3.35Å; Y162-F164 PolarHBondContact O-N 3.43Å; Y162-I165 WeakPolarHBondContact O-CB 3.42Å; Y162-I165 PolarHBondContact O-N 2.93Å; Y162-R166 HydrophobicContact CD1-CG 4.31Å; Y162-R166 HydrophobicContact CD2-CG 4.42Å; Y162-R166 HydrophobicContact CE1-CG 3.88Å; Y162-R166 HydrophobicContact CE2-CG 3.97Å; Y162-R166 WeakPolarHBondContact O-CG 3.22Å; Y162-R166 PolarHBondContact O-N 2.95Å; Y162-L193 HydrophobicContact CG-CD2 4.35Å; Y162-L194 HydrophobicContact CD2-CD2 4.49Å; Y162-C198 WeakPolarHBondContact CE2-SG 3.4Å
163A97.4Very high96Very high16 Ų1630.6 Ų30.613%0.13216%0.163CC..Hα-helixtrans-63.9-36.5175.900000112.9I12 A159 A160 C161 R166 H167 V288 M292I12-A163 HydrophobicContact CG2-CB 3.91Å; A159-A163 WeakPolarHBondContact O-CB 3.16Å; A159-A163 PolarHBondContact O-N 3.28Å; A160-A163 WeakPolarHBondContact O-CB 3.29Å; A160-A163 PolarHBondContact O-N 3.07Å; A160-A163 VanDerWaalsContact O-N 3.15Å; C161-A163 VanDerWaalsContact C-N 3.27Å; C161-A163 PolarHBondContact O-N 2.84Å; A163-R166 PolarHBondContact O-N 2.83Å; A163-H167 VanDerWaalsContact O-CB 3.22Å; A163-H167 WeakPolarHBondContact O-CB 3.38Å; A163-H167 PolarHBondContact O-N 3.02Å; A163-V288 HydrophobicContact CB-CG1 4.1Å; A163-M292 HydrophobicContact CB-CE 3.64Å
164F98.3Very high96.2Very high0 Ų032.9 Ų32.90%019%0.187CC..Hα-helixtrans-67-43.7173.2-79.6-72.5000112.4L7 I12 A160 C161 Y162 R166 H167 V168 I244 T279 V285 V288L7-F164 HydrophobicContact CB-CD1 3.86Å; L7-F164 HydrophobicContact CB-CE1 3.77Å; L7-F164 HydrophobicContact CD1-CD1 3.9Å; I12-F164 HydrophobicContact CD1-CD1 3.42Å; I12-F164 VanDerWaalsContact CD1-CD1 3.42Å; I12-F164 HydrophobicContact CD1-CE1 3.54Å; I12-F164 HydrophobicContact CD1-CG 3.96Å; I12-F164 HydrophobicContact CD1-CZ 4.13Å; A160-F164 VanDerWaalsContact O-CD2 3.29Å; A160-F164 WeakPolarHBondContact O-CD2 3.42Å; A160-F164 PolarHBondContact O-N 3.22Å; A160-F164 VanDerWaalsContact O-N 3.14Å; C161-F164 PolarHBondContact O-N 3.42Å; C161-F164 VanDerWaalsContact O-N 3.16Å; Y162-F164 VanDerWaalsContact C-N 3.35Å; Y162-F164 PolarHBondContact O-N 3.43Å; F164-R166 VanDerWaalsContact C-N 3.27Å; F164-R166 PolarHBondContact O-N 3.27Å; F164-H167 PolarHBondContact O-N 2.92Å; F164-H167 VanDerWaalsContact O-N 3.15Å; F164-V168 PolarHBondContact O-N 3.33Å; F164-V168 VanDerWaalsContact O-N 3.17Å; F164-I244 HydrophobicContact CB-CD1 3.84Å; F164-I244 HydrophobicContact CB-CG1 4.29Å; F164-I244 HydrophobicContact CD2-CG2 4.5Å; F164-T279 HydrophobicContact CD1-CG2 3.86Å; F164-T279 HydrophobicContact CD2-CG2 4.03Å; F164-T279 HydrophobicContact CE1-CG2 3.75Å; F164-T279 HydrophobicContact CE2-CG2 3.94Å; F164-T279 HydrophobicContact CG-CG2 3.99Å; F164-T279 HydrophobicContact CZ-CG2 3.79Å; F164-V285 HydrophobicContact CE2-CG2 4.15Å; F164-V288 HydrophobicContact CE2-CB 4.35Å; F164-V288 HydrophobicContact CE2-CG2 3.75Å; F164-V288 HydrophobicContact CZ-CG2 3.79Å
165I98Very high96.5Very high2 Ų233.3 Ų33.31%0.0119%0.19CC..Hα-helixtrans-55.2-45.8174.6-70.4165.3000110.3C161 Y162 N169 F170 I172 L194 V221 L242 I244C161-I165 PolarHBondContact O-N 3.13Å; C161-I165 VanDerWaalsContact O-N 3.14Å; Y162-I165 WeakPolarHBondContact O-CB 3.42Å; Y162-I165 PolarHBondContact O-N 2.93Å; I165-N169 PolarHBondContact O-N 3.47Å; I165-F170 HydrophobicContact CG2-CB 4.09Å; I165-F170 PolarHBondContact O-N 3.32Å; I165-I172 HydrophobicContact CD1-CD1 3.94Å; I165-I172 HydrophobicContact CG1-CD1 4.42Å; I165-I172 HydrophobicContact CG2-CB 3.95Å; I165-I172 HydrophobicContact CG2-CD1 3.89Å; I165-I172 HydrophobicContact CG2-CG1 3.98Å; I165-L194 HydrophobicContact CD1-CD1 4.12Å; I165-L194 HydrophobicContact CD1-CD2 3.6Å; I165-V221 HydrophobicContact CD1-CG1 4.47Å; I165-L242 HydrophobicContact CB-CD2 4.46Å; I165-L242 HydrophobicContact CG1-CD2 3.8Å; I165-I244 HydrophobicContact CD1-CD1 4.45Å; I165-I244 HydrophobicContact CG1-CD1 4.01Å
166R95.1Very high96.7Very high60 Ų6036.5 Ų36.523%0.22620%0.202CC..Hα-helixtrans-66.3-43.7175.7-72-62.8-56121.86.5112.5Y162 A163 F164 V168 N169 C314 N316Y162-R166 HydrophobicContact CD1-CG 4.31Å; Y162-R166 HydrophobicContact CD2-CG 4.42Å; Y162-R166 HydrophobicContact CE1-CG 3.88Å; Y162-R166 HydrophobicContact CE2-CG 3.97Å; Y162-R166 WeakPolarHBondContact O-CG 3.22Å; Y162-R166 PolarHBondContact O-N 2.95Å; A163-R166 PolarHBondContact O-N 2.83Å; F164-R166 VanDerWaalsContact C-N 3.27Å; F164-R166 PolarHBondContact O-N 3.27Å; R166-V168 VanDerWaalsContact C-N 3.26Å; R166-V168 PolarHBondContact O-N 2.94Å; R166-N169 PolarHBondContact O-N 3.28Å; R166-N169 PolarHBondContact O-OD1 2.77Å; R166-C314 PolarHBondContact NE-O 3.15Å; R166-N316 PolarHBondContact NH2-ND2 3.37Å; R166-N316 PolarHBondContact NH2-OD1 3.28Å
167H96.2Very high96.8Very high79 Ų7936 Ų3637%0.36620%0.198SC..Hα-helixtrans-59.1-37.4-176-178.371.7000112.5I12 A163 F164 N169I12-H167 HydrophobicContact CD1-CB 3.62Å; I12-H167 HydrophobicContact CG1-CB 4.1Å; A163-H167 VanDerWaalsContact O-CB 3.22Å; A163-H167 WeakPolarHBondContact O-CB 3.38Å; A163-H167 PolarHBondContact O-N 3.02Å; F164-H167 PolarHBondContact O-N 2.92Å; F164-H167 VanDerWaalsContact O-N 3.15Å; H167-N169 VanDerWaalsContact C-N 3.33Å
168V96.3Very high97Very high21 Ų2134.6 Ų34.613%0.12719%0.19CC..THydrogen-bonded Turntrans-90.24.1176.5-53.50000113.7L7 F164 R166 F170 L242 W277L7-V168 HydrophobicContact CD1-CG1 3.72Å; L7-V168 HydrophobicContact CD2-CG1 3.59Å; L7-V168 HydrophobicContact CG-CG1 4.3Å; F164-V168 PolarHBondContact O-N 3.33Å; F164-V168 VanDerWaalsContact O-N 3.17Å; R166-V168 VanDerWaalsContact C-N 3.26Å; R166-V168 PolarHBondContact O-N 2.94Å; V168-F170 VanDerWaalsContact C-N 3.28Å; V168-F170 HydrophobicContact CG2-CB 3.9Å; V168-F170 PolarHBondContact O-N 3.32Å; V168-L242 HydrophobicContact CG2-CD1 4.46Å; V168-L242 HydrophobicContact CG2-CD2 4.02Å; V168-W277 HydrophobicContact CB-CD2 4.2Å; V168-W277 HydrophobicContact CB-CG 4.44Å; V168-W277 HydrophobicContact CB-CZ2 4.28Å; V168-W277 HydrophobicContact CG1-CD2 4.27Å; V168-W277 HydrophobicContact CG1-CG 3.98Å; V168-W277 HydrophobicContact CG2-CD2 4.35Å; V168-W277 HydrophobicContact CG2-CE3 4.47Å
169N95.8Very high97.1Very high114 Ų11434.7 Ų34.761%0.6119%0.19SC*.THydrogen-bonded Turntrans5145.1-173.8-63.5-61.2000113I165 R166 H167I165-N169 PolarHBondContact O-N 3.47Å; R166-N169 PolarHBondContact O-N 3.28Å; R166-N169 PolarHBondContact O-OD1 2.77Å; H167-N169 VanDerWaalsContact C-N 3.33Å
170F96.7Very high97.2Very high24 Ų2434.5 Ų34.511%0.10519%0.189CC..  trans-67.8133-179.7-163-86.4000111.1I165 V168 I172 D220 V221 L242 W277I165-F170 HydrophobicContact CG2-CB 4.09Å; I165-F170 PolarHBondContact O-N 3.32Å; V168-F170 VanDerWaalsContact C-N 3.28Å; V168-F170 HydrophobicContact CG2-CB 3.9Å; V168-F170 PolarHBondContact O-N 3.32Å; F170-I172 VanDerWaalsContact C-N 3.33Å; F170-I172 HydrophobicContact CD1-CD1 4.22Å; F170-I172 PolarHBondContact O-N 2.91Å; F170-D220 HydrophobicContact CE1-CB 4.31Å; F170-D220 HydrophobicContact CZ-CB 3.9Å; F170-V221 HydrophobicContact CD1-CG2 3.76Å; F170-V221 HydrophobicContact CE1-CG2 3.46Å; F170-V221 VanDerWaalsContact CE1-CG2 3.46Å; F170-V221 HydrophobicContact CE2-CG2 4.26Å; F170-V221 HydrophobicContact CG-CG2 4.3Å; F170-V221 HydrophobicContact CZ-CG2 3.74Å; F170-L242 HydrophobicContact CB-CD2 4.29Å; F170-L242 HydrophobicContact CD2-CB 3.96Å; F170-L242 HydrophobicContact CD2-CD2 4.15Å; F170-L242 HydrophobicContact CE2-CB 4.01Å; F170-L242 HydrophobicContact CG-CD2 4.28Å; F170-W277 HydrophobicContact CD2-CE3 4.47Å; F170-W277 AromaticContact CD2-CZ3 3.98Å; F170-W277 HydrophobicContact CD2-CZ3 3.98Å; F170-W277 HydrophobicContact CE2-CZ3 4.22Å
171P95.7Very high97.2Very high102 Ų10234.8 Ų34.866%0.66219%0.191SC*.  trans-73.985.117531.1-34.2000110.2
172I96.8Very high97Very high19 Ų1937.2 Ų37.210%0.09722%0.216CC..  trans-79.5-23.4-170.1-162.265.8000114.2I165 F170 G174 S175 C177 L194 C198 A200 V221I165-I172 HydrophobicContact CD1-CD1 3.94Å; I165-I172 HydrophobicContact CG1-CD1 4.42Å; I165-I172 HydrophobicContact CG2-CB 3.95Å; I165-I172 HydrophobicContact CG2-CD1 3.89Å; I165-I172 HydrophobicContact CG2-CG1 3.98Å; F170-I172 VanDerWaalsContact C-N 3.33Å; F170-I172 HydrophobicContact CD1-CD1 4.22Å; F170-I172 PolarHBondContact O-N 2.91Å; I172-G174 PolarHBondContact O-N 3.08Å; I172-S175 PolarHBondContact O-N 3.29Å; I172-S175 PolarHBondContact O-OG 3.21Å; I172-C177 WeakPolarHBondContact CD1-SG 3.49Å; I172-L194 HydrophobicContact CG1-CD2 4.49Å; I172-C198 HydrophobicContact CG1-CB 4.12Å; I172-C198 HydrophobicContact CG2-CB 3.93Å; I172-A200 HydrophobicContact CG1-CB 4.3Å; I172-V221 HydrophobicContact CD1-CG2 3.92Å
173I96Very high96.7Very high139 Ų13938 Ų3871%0.71323%0.232SC*.THydrogen-bonded Turntrans-66.6125.7-178.8-62.8171.1000108.7S175 C198I173-S175 PolarHBondContact O-N 3.24Å; I173-S175 VanDerWaalsContact O-N 3.11Å; I173-C198 WeakPolarHBondContact CG1-O 3.42Å
174G95.6Very high96.2Very high49 Ų4942.4 Ų42.451%0.50525%0.245SC..THydrogen-bonded Turntrans72.3-10.3-178.700000115.3I172 G199 T201I172-G174 PolarHBondContact O-N 3.08Å; G174-G199 PolarHBondContact N-O 2.97Å; G174-T201 PolarHBondContact O-OG1 2.89Å
175S98.1Very high95.6Very high10 Ų1046.2 Ų46.27%0.0727%0.265CS..  trans-67.6154.7-179.874.60000111.7I172 I173 C177 T201I172-S175 PolarHBondContact O-N 3.29Å; I172-S175 PolarHBondContact O-OG 3.21Å; I173-S175 PolarHBondContact O-N 3.24Å; I173-S175 VanDerWaalsContact O-N 3.11Å; S175-C177 PolarHBondContact O-N 2.84Å; S175-T201 PolarHBondContact O-N 3.01Å
176R98.7Very high95.4Very high67 Ų6747.1 Ų47.125%0.25327%0.27SS..EExtended strand (participates in β ladder)trans-84.8106.3178.2-164.8-177.9-177.787.5-5.3110.3V178 T201 I203 E215 R218 D220 V221R176-V178 HydrophobicContact CG-CG2 4.35Å; R176-T201 CarbonylContact C-O 3.58Å; R176-T201 WeakPolarHBondContact CA-O 3.14Å; R176-I203 HydrophobicContact CG-CD1 3.41Å; R176-I203 VanDerWaalsContact CG-CD1 3.41Å; R176-E215 IonicContact CZ-OE2 3.69Å; R176-E215 IonicContact NE-OE2 3.93Å; R176-E215 IonicContact NH2-OE1 3.95Å; R176-E215 IonicContact NH2-OE2 2.67Å; R176-E215 PolarHBondContact NH2-OE2 3.28Å; R176-R218 WeakPolarHBondContact CD-O 3.46Å; R176-D220 PolarHBondContact N-OD2 3.44Å; R176-D220 PolarHBondContact O-N 2.86Å; R176-V221 PolarHBondContact O-N 3.06Å; R176-V221 VanDerWaalsContact O-N 3.14Å
177C98.8Very high95.4Very high0 Ų044.2 Ų44.20%026%0.259CS..EExtended strand (participates in β ladder)trans-97.7114.4174.7-68.80000110I172 S175 I179 L194 A200 T201 V202 I203 V221I172-C177 WeakPolarHBondContact CD1-SG 3.49Å; S175-C177 PolarHBondContact O-N 2.84Å; C177-I179 HydrophobicContact CB-CD1 4.18Å; C177-L194 HydrophobicContact CB-CD1 4.15Å; C177-A200 HydrophobicContact CB-CB 4.33Å; C177-T201 PolarHBondContact N-O 3.43Å; C177-V202 HydrophobicContact CB-CG2 4.14Å; C177-V202 WeakPolarHBondContact O-CA 3.38Å; C177-I203 PolarHBondContact O-N 3.17Å; C177-V221 CarbonylContact C-O 3.5Å; C177-V221 WeakPolarHBondContact CA-O 3.42Å
178V98.7Very high95.4Very high0 Ų041.8 Ų41.80%025%0.253CS..EExtended strand (participates in β ladder)trans-103112.3178-177.50000108.2R176 I180 I203 E215 I216 V221 V222 I223R176-V178 HydrophobicContact CG-CG2 4.35Å; V178-I180 HydrophobicContact CG1-CD1 4.17Å; V178-I203 CarbonylContact C-O 3.32Å; V178-I203 WeakPolarHBondContact CA-O 3.42Å; V178-E215 WeakPolarHBondContact CG2-O 3.38Å; V178-I216 HydrophobicContact CG1-CG1 4.29Å; V178-V221 PolarHBondContact N-O 2.87Å; V178-V222 WeakPolarHBondContact O-CA 3.5Å; V178-I223 PolarHBondContact O-N 2.97Å
179I98.7Very high95.4Very high1 Ų141 Ų411%0.00525%0.248CC..EExtended strand (participates in β ladder)trans-105119.6178.6-60.295.8000108.3C177 A191 V202 I203 Q204 C205 I223C177-I179 HydrophobicContact CB-CD1 4.18Å; I179-A191 HydrophobicContact CD1-CB 4.19Å; I179-V202 HydrophobicContact CD1-CB 4.45Å; I179-V202 HydrophobicContact CD1-CG1 3.49Å; I179-V202 VanDerWaalsContact CD1-CG1 3.49Å; I179-V202 HydrophobicContact CD1-CG2 4.35Å; I179-I203 PolarHBondContact N-O 3.35Å; I179-Q204 CarbonylContact O-C 3.44Å; I179-Q204 WeakPolarHBondContact O-CA 3.22Å; I179-C205 PolarHBondContact O-N 2.84Å; I179-I223 WeakPolarHBondContact CA-O 3.38Å; I179-I223 HydrophobicContact CG1-CB 4.23Å; I179-I223 HydrophobicContact CG1-CD1 4.5Å
180I98.4Very high95.4Very high0 Ų035.6 Ų35.60%022%0.219CC..EExtended strand (participates in β ladder)trans-96.8111.9176.9-53.178.9000106.6V178 I212 I216 V222 I223 A225 V226 I232V178-I180 HydrophobicContact CG1-CD1 4.17Å; I180-I212 HydrophobicContact CG2-CD1 3.99Å; I180-I216 HydrophobicContact CD1-CD1 4.34Å; I180-I216 HydrophobicContact CD1-CG1 4.09Å; I180-I216 HydrophobicContact CG1-CD1 4.07Å; I180-I216 HydrophobicContact CG1-CG1 4.16Å; I180-V222 HydrophobicContact CD1-CG1 3.65Å; I180-I223 WeakPolarHBondContact CD1-O 3.49Å; I180-I223 PolarHBondContact N-O 3Å; I180-A225 CarbonylContact O-C 3.57Å; I180-A225 WeakPolarHBondContact O-CA 3.44Å; I180-A225 WeakPolarHBondContact O-CB 3.21Å; I180-A225 PolarHBondContact O-N 3.45Å; I180-V226 VanDerWaalsContact C-CG1 3.48Å; I180-V226 HydrophobicContact CB-CG1 4.11Å; I180-V226 HydrophobicContact CG2-CB 4.47Å; I180-V226 HydrophobicContact CG2-CG1 3.29Å; I180-V226 HydrophobicContact CG2-CG2 4.39Å; I180-V226 WeakPolarHBondContact O-CG1 3.3Å; I180-I232 HydrophobicContact CB-CD1 4.29Å; I180-I232 HydrophobicContact CD1-CD1 3.73Å; I180-I232 HydrophobicContact CG1-CD1 3.87Å
181G96.5Very high95.5Very high5 Ų534.7 Ų34.75%0.05222%0.216CC..  trans116.6139.9-178.700000113.7G187 Q204 C205G181-G187 VanDerWaalsContact O-CA 3.23Å; G181-G187 WeakPolarHBondContact O-CA 3.4Å; G181-Q204 PolarHBondContact O-NE2 3.42Å; G181-C205 PolarHBondContact N-O 2.73Å
182G93.4Very high95.5Very high51 Ų5132.6 Ų32.653%0.52620%0.199SC..  trans-107.96.417900000114.7
183G91.4Very high95.4Very high39 Ų3931.7 Ų31.740%0.40220%0.195SC..  trans-62.8143.5-172.500000113L185 V186 G187 A188G183-L185 PolarHBondContact O-N 3.23Å; G183-L185 VanDerWaalsContact O-N 3.09Å; G183-V186 PolarHBondContact O-N 3.39Å; G183-G187 PolarHBondContact O-N 3.3Å; G183-G187 VanDerWaalsContact O-N 3.16Å; G183-A188 PolarHBondContact O-N 3.37Å
184R86.7Confident95.4Very high109 Ų10925 Ų2541%0.41116%0.161SC..THydrogen-bonded Turntrans-58.1-22.6-178.969.2176.4177.5179.9-2.6115.2P189R184-P189 WeakPolarHBondContact O-CG 3.29Å
185L86.2Confident95.4Very high79 Ų7925.7 Ų25.741%0.41416%0.157SC..THydrogen-bonded Turntrans-82.2-34.3-175.1-62.6-178000112.5L126 G183L126-L185 HydrophobicContact CD1-CD2 3.36Å; L126-L185 HydrophobicContact CD2-CD2 3.9Å; L126-L185 HydrophobicContact CG-CD2 4.28Å; G183-L185 PolarHBondContact O-N 3.23Å; G183-L185 VanDerWaalsContact O-N 3.09Å
186V93.6Very high95.2Very high21 Ų2130.9 Ų30.913%0.12718%0.176CC..THydrogen-bonded Turntrans-138.1-64.4-168.8-169.80000111T157 G183 P189 T190 A225 C246T157-V186 HydrophobicContact CG2-CB 4.18Å; T157-V186 HydrophobicContact CG2-CG1 3.7Å; T157-V186 HydrophobicContact CG2-CG2 3.54Å; G183-V186 PolarHBondContact O-N 3.39Å; V186-P189 WeakPolarHBondContact O-CD 3.44Å; V186-P189 WeakPolarHBondContact O-CG 3.41Å; V186-T190 WeakPolarHBondContact O-CB 3.36Å; V186-T190 PolarHBondContact O-N 3.29Å; V186-T190 PolarHBondContact O-OG1 3.3Å; V186-A225 HydrophobicContact CB-CB 3.75Å; V186-A225 HydrophobicContact CG1-CB 3.7Å; V186-C246 HydrophobicContact CG1-CB 3.77Å
187G95.8Very high94.8Very high0 Ų027.9 Ų27.90%017%0.165CC..Hα-helixtrans-55.9-64.2-16900000114.1G181 G183 T190 A191G181-G187 VanDerWaalsContact O-CA 3.23Å; G181-G187 WeakPolarHBondContact O-CA 3.4Å; G183-G187 PolarHBondContact O-N 3.3Å; G183-G187 VanDerWaalsContact O-N 3.16Å; G187-T190 PolarHBondContact O-N 2.87Å; G187-A191 PolarHBondContact O-N 3.31Å
188A95.6Very high94.5Very high28 Ų2828.4 Ų28.423%0.23117%0.168CC..Hα-helixtrans-58.1-53.8-179.900000113.3G183 T190 A191 D192G183-A188 PolarHBondContact O-N 3.37Å; A188-T190 VanDerWaalsContact C-N 3.27Å; A188-T190 PolarHBondContact O-N 3.06Å; A188-A191 WeakPolarHBondContact O-CB 3.49Å; A188-A191 PolarHBondContact O-N 2.96Å; A188-A191 VanDerWaalsContact O-N 3.12Å; A188-D192 PolarHBondContact O-N 3.46Å
189P95.4Very high94.2Very high4 Ų430 Ų303%0.02618%0.184CC..Hα-helixtrans-65.6-28.2-179.322.4-32.4000114L134 P155 A158 R184 V186 L193L134-P189 HydrophobicContact CD2-CB 3.57Å; L134-P189 WeakPolarHBondContact CD2-O 3.45Å; P155-P189 HydrophobicContact CB-CB 3.95Å; P155-P189 HydrophobicContact CB-CG 4.19Å; P155-P189 HydrophobicContact CG-CB 3.61Å; P155-P189 HydrophobicContact CG-CG 4.27Å; A158-P189 HydrophobicContact CB-CB 4.2Å; R184-P189 WeakPolarHBondContact O-CG 3.29Å; V186-P189 WeakPolarHBondContact O-CD 3.44Å; V186-P189 WeakPolarHBondContact O-CG 3.41Å; P189-L193 VanDerWaalsContact O-CB 3.28Å; P189-L193 WeakPolarHBondContact O-CB 3.43Å; P189-L193 PolarHBondContact O-N 3.09Å
190T97.1Very high94.2Very high0 Ų030.3 Ų30.30%019%0.187CC..Hα-helixtrans-71.4-40.1174.3-54.10000110.9A158 C161 V186 G187 A188 L193 L194 I223A158-T190 WeakPolarHBondContact CA-OG1 3.37Å; A158-T190 WeakPolarHBondContact CB-OG1 3.43Å; C161-T190 HydrophobicContact CB-CG2 3.95Å; V186-T190 WeakPolarHBondContact O-CB 3.36Å; V186-T190 PolarHBondContact O-N 3.29Å; V186-T190 PolarHBondContact O-OG1 3.3Å; G187-T190 PolarHBondContact O-N 2.87Å; A188-T190 VanDerWaalsContact C-N 3.27Å; A188-T190 PolarHBondContact O-N 3.06Å; T190-L193 PolarHBondContact O-N 2.9Å; T190-L194 HydrophobicContact CG2-CD1 3.91Å; T190-L194 HydrophobicContact CG2-CG 4.2Å; T190-L194 WeakPolarHBondContact O-CB 3.47Å; T190-L194 VanDerWaalsContact O-CG 3.24Å; T190-L194 WeakPolarHBondContact O-CG 3.49Å; T190-L194 PolarHBondContact O-N 3.3Å; T190-I223 HydrophobicContact CG2-CD1 3.55Å
191A97.7Very high94.2Very high6 Ų633.7 Ų33.75%0.0521%0.208CC..Hα-helixtrans-59.4-48.5174.200000111.4I179 G187 A188 L194 S195 V202I179-A191 HydrophobicContact CD1-CB 4.19Å; G187-A191 PolarHBondContact O-N 3.31Å; A188-A191 WeakPolarHBondContact O-CB 3.49Å; A188-A191 PolarHBondContact O-N 2.96Å; A188-A191 VanDerWaalsContact O-N 3.12Å; A191-L194 PolarHBondContact O-N 3.16Å; A191-S195 WeakPolarHBondContact O-CB 3.4Å; A191-S195 PolarHBondContact O-N 2.87Å; A191-V202 HydrophobicContact CB-CG1 3.83Å
192D95.8Very high94.3Very high57 Ų5735.4 Ų35.431%0.30522%0.217SC..Hα-helixtrans-58.9-49.4177.4-71.1-24.1000111.9L134 A188 L194 S195 R196L134-D192 HydrophobicContact CD2-CB 4.33Å; L134-D192 HydrophobicContact CG-CB 4.11Å; A188-D192 PolarHBondContact O-N 3.46Å; D192-L194 PolarHBondContact O-N 3.37Å; D192-S195 PolarHBondContact O-N 3.06Å; D192-R196 VanDerWaalsContact O-CB 3.27Å; D192-R196 WeakPolarHBondContact O-CB 3.4Å; D192-R196 PolarHBondContact O-N 2.82Å
193L95.3Very high94.5Very high0 Ų034.6 Ų34.60%020%0.201CC..Iπ-helixtrans-57.7-50.3179.3179.361.8000111.8L134 I139 L140 I154 A158 Y162 P189 T190 S197 C198L134-L193 HydrophobicContact CD1-CB 4.03Å; L134-L193 HydrophobicContact CD1-CD1 3.9Å; I139-L193 HydrophobicContact CD1-CD1 3.99Å; I139-L193 HydrophobicContact CG1-CD1 4.26Å; L140-L193 HydrophobicContact CD1-CD1 4.06Å; L140-L193 HydrophobicContact CG-CD1 4.23Å; I154-L193 HydrophobicContact CD1-CD1 4.35Å; I154-L193 HydrophobicContact CG2-CD1 4.44Å; I154-L193 HydrophobicContact CG2-CD2 3.98Å; A158-L193 HydrophobicContact CB-CD2 4.24Å; Y162-L193 HydrophobicContact CG-CD2 4.35Å; P189-L193 VanDerWaalsContact O-CB 3.28Å; P189-L193 WeakPolarHBondContact O-CB 3.43Å; P189-L193 PolarHBondContact O-N 3.09Å; T190-L193 PolarHBondContact O-N 2.9Å; L193-S197 WeakPolarHBondContact O-CB 3.4Å; L193-S197 PolarHBondContact O-N 2.74Å; L193-C198 PolarHBondContact O-N 3.18Å
194L96.7Very high94.8Very high0 Ų037 Ų370%020%0.201CC..Iπ-helixtrans-71-36.7-174.9-64.8-176.9000112.2Y162 I165 I172 C177 T190 A191 D192 C198 G199 A200 V202 I223Y162-L194 HydrophobicContact CD2-CD2 4.49Å; I165-L194 HydrophobicContact CD1-CD1 4.12Å; I165-L194 HydrophobicContact CD1-CD2 3.6Å; I172-L194 HydrophobicContact CG1-CD2 4.49Å; C177-L194 HydrophobicContact CB-CD1 4.15Å; T190-L194 HydrophobicContact CG2-CD1 3.91Å; T190-L194 HydrophobicContact CG2-CG 4.2Å; T190-L194 WeakPolarHBondContact O-CB 3.47Å; T190-L194 VanDerWaalsContact O-CG 3.24Å; T190-L194 WeakPolarHBondContact O-CG 3.49Å; T190-L194 PolarHBondContact O-N 3.3Å; A191-L194 PolarHBondContact O-N 3.16Å; D192-L194 PolarHBondContact O-N 3.37Å; L194-C198 HydrophobicContact CD2-CB 4.35Å; L194-C198 CarbonylContact O-C 3.58Å; L194-C198 VanDerWaalsContact O-CB 3.29Å; L194-C198 WeakPolarHBondContact O-CB 3.42Å; L194-C198 PolarHBondContact O-N 3.27Å; L194-G199 PolarHBondContact O-N 3.25Å; L194-A200 HydrophobicContact CB-CB 4.37Å; L194-A200 WeakPolarHBondContact O-CB 3.5Å; L194-A200 PolarHBondContact O-N 3.4Å; L194-V202 HydrophobicContact CB-CG2 3.98Å; L194-I223 HydrophobicContact CD1-CD1 3.67Å
195S95.8Very high95.4Very high62 Ų6232 Ų3243%0.43418%0.184SC..Iπ-helixtrans-70.6-57.3176-175.60000110.7A191 D192 G199A191-S195 WeakPolarHBondContact O-CB 3.4Å; A191-S195 PolarHBondContact O-N 2.87Å; D192-S195 PolarHBondContact O-N 3.06Å; S195-G199 PolarHBondContact O-N 2.9Å
196R92.8Very high95.8Very high120 Ų12033.1 Ų33.145%0.45319%0.186SC..Iπ-helixtrans-76.2-45.4-168.3-168.370.2-154.9131.34113.2R136 G137 D192R136-R196 PolarHBondContact O-NE 3.24Å; G137-R196 WeakPolarHBondContact O-CG 3.45Å; D192-R196 VanDerWaalsContact O-CB 3.27Å; D192-R196 WeakPolarHBondContact O-CB 3.4Å; D192-R196 PolarHBondContact O-N 2.82Å
197S90.8Very high95.8Very high4 Ų435.3 Ų35.33%0.02820%0.196CC..Iπ-helixtrans-97.5-25-173.1-57.80000113.7I139 L193I139-S197 VanDerWaalsContact CG1-OG 3.29Å; I139-S197 WeakPolarHBondContact CG1-OG 3.43Å; I139-S197 PolarHBondContact N-OG 2.84Å; L193-S197 WeakPolarHBondContact O-CB 3.4Å; L193-S197 PolarHBondContact O-N 2.74Å
198C92.5Very high95.7Very high10 Ų1042.7 Ų42.77%0.06823%0.231CC..THydrogen-bonded Turntrans-103.1-11.7-179.5-54.20000114Y162 I172 I173 L193 L194 A200Y162-C198 WeakPolarHBondContact CE2-SG 3.4Å; I172-C198 HydrophobicContact CG1-CB 4.12Å; I172-C198 HydrophobicContact CG2-CB 3.93Å; I173-C198 WeakPolarHBondContact CG1-O 3.42Å; L193-C198 PolarHBondContact O-N 3.18Å; L194-C198 HydrophobicContact CD2-CB 4.35Å; L194-C198 CarbonylContact O-C 3.58Å; L194-C198 VanDerWaalsContact O-CB 3.29Å; L194-C198 WeakPolarHBondContact O-CB 3.42Å; L194-C198 PolarHBondContact O-N 3.27Å; C198-A200 VanDerWaalsContact C-N 3.31Å; C198-A200 PolarHBondContact O-N 3.31Å
199G93.2Very high95.7Very high33 Ų3343.2 Ų43.234%0.3423%0.233SC..  trans67.728.2179.700000114G174 L194 S195G174-G199 PolarHBondContact N-O 2.97Å; L194-G199 PolarHBondContact O-N 3.25Å; S195-G199 PolarHBondContact O-N 2.9Å
200A97.4Very high95.8Very high8 Ų850 Ų507%0.06627%0.269CS..  trans-81.1154175.800000111.9I172 C177 L194 C198 V202I172-A200 HydrophobicContact CG1-CB 4.3Å; C177-A200 HydrophobicContact CB-CB 4.33Å; L194-A200 HydrophobicContact CB-CB 4.37Å; L194-A200 WeakPolarHBondContact O-CB 3.5Å; L194-A200 PolarHBondContact O-N 3.4Å; C198-A200 VanDerWaalsContact C-N 3.31Å; C198-A200 PolarHBondContact O-N 3.31Å; A200-V202 HydrophobicContact CB-CG2 4.24Å; A200-V202 PolarHBondContact O-N 2.88Å
201T98.3Very high95.7Very high72 Ų7254.7 Ų54.744%0.44229%0.294SS..EExtended strand (participates in β ladder)trans-78.8109.6164-60.10000108.1G174 S175 R176 C177 I203G174-T201 PolarHBondContact O-OG1 2.89Å; S175-T201 PolarHBondContact O-N 3.01Å; R176-T201 CarbonylContact C-O 3.58Å; R176-T201 WeakPolarHBondContact CA-O 3.14Å; C177-T201 PolarHBondContact N-O 3.43Å; T201-I203 HydrophobicContact CG2-CD1 4.05Å
202V98.4Very high95.6Very high40 Ų4055.4 Ų55.424%0.24230%0.297CS..EExtended strand (participates in β ladder)trans-103.5132.4-174.3169.70000111.7C177 I179 A191 L194 A200C177-V202 HydrophobicContact CB-CG2 4.14Å; C177-V202 WeakPolarHBondContact O-CA 3.38Å; I179-V202 HydrophobicContact CD1-CB 4.45Å; I179-V202 HydrophobicContact CD1-CG1 3.49Å; I179-V202 VanDerWaalsContact CD1-CG1 3.49Å; I179-V202 HydrophobicContact CD1-CG2 4.35Å; A191-V202 HydrophobicContact CB-CG1 3.83Å; L194-V202 HydrophobicContact CB-CG2 3.98Å; A200-V202 HydrophobicContact CB-CG2 4.24Å; A200-V202 PolarHBondContact O-N 2.88Å
203I98.2Very high95.7Very high34 Ų3455.7 Ų55.717%0.17430%0.298CS..EExtended strand (participates in β ladder)trans-123.1115.7171.8-6287.7000107R176 C177 V178 I179 T201R176-I203 HydrophobicContact CG-CD1 3.41Å; R176-I203 VanDerWaalsContact CG-CD1 3.41Å; C177-I203 PolarHBondContact O-N 3.17Å; V178-I203 CarbonylContact C-O 3.32Å; V178-I203 WeakPolarHBondContact CA-O 3.42Å; I179-I203 PolarHBondContact N-O 3.35Å; T201-I203 HydrophobicContact CG2-CD1 4.05Å
204Q98Very high95.9Very high90 Ų9059.7 Ų59.742%0.42132%0.317SS..EExtended strand (participates in β ladder)trans-101.4115.7177.1-171.3171.735.700110I179 G181I179-Q204 CarbonylContact O-C 3.44Å; I179-Q204 WeakPolarHBondContact O-CA 3.22Å; G181-Q204 PolarHBondContact O-NE2 3.42Å
205C98Very high95.9Very high5 Ų561.5 Ų61.53%0.03433%0.326CS..EExtended strand (participates in β ladder)trans-101.1135.4-178.5-60.90000110.8I179 G181 I212I179-C205 PolarHBondContact O-N 2.84Å; G181-C205 PolarHBondContact N-O 2.73Å; C205-I212 HydrophobicContact CB-CD1 4.13Å; C205-I212 HydrophobicContact CB-CG1 4.13Å
206H96Very high96.1Very high102 Ų10258.6 Ų58.647%0.47231%0.305SS..  trans-80.5159.3159.2-171.3-110.9000110.4Q208 S209 I212H206-Q208 PolarHBondContact CE1-OE1 3.2Å; H206-Q208 WeakPolarHBondContact ND1-CB 3.45Å; H206-Q208 PolarHBondContact ND1-N 3.1Å; H206-Q208 PolarHBondContact ND1-OE1 3.4Å; H206-Q208 PolarHBondContact O-N 3.21Å; H206-Q208 VanDerWaalsContact O-N 3.13Å; H206-S209 PolarHBondContact N-OG 3.18Å; H206-S209 VanDerWaalsContact O-CB 3.3Å; H206-S209 WeakPolarHBondContact O-CB 3.32Å; H206-S209 PolarHBondContact O-N 2.99Å; H206-S209 PolarHBondContact O-OG 2.88Å; H206-I212 WeakPolarHBondContact O-CD1 3.26Å
207I92.4Very high96.3Very high66 Ų6656.3 Ų56.334%0.33830%0.302SS..THydrogen-bonded Turntrans-61.6-2117660.4172000113.4V226 L231I207-V226 HydrophobicContact CG2-CB 3.88Å; I207-V226 HydrophobicContact CG2-CG1 3.59Å; I207-V226 HydrophobicContact CG2-CG2 4.47Å; I207-L231 HydrophobicContact CG2-CD2 3.88Å
208Q94.3Very high96.7Very high156 Ų15661.8 Ų61.873%0.72932%0.322SS*.THydrogen-bonded Turntrans-95.89.2176.1-62.3171.4-38.900113H206 N210H206-Q208 PolarHBondContact CE1-OE1 3.2Å; H206-Q208 WeakPolarHBondContact ND1-CB 3.45Å; H206-Q208 PolarHBondContact ND1-N 3.1Å; H206-Q208 PolarHBondContact ND1-OE1 3.4Å; H206-Q208 PolarHBondContact O-N 3.21Å; H206-Q208 VanDerWaalsContact O-N 3.13Å; Q208-N210 PolarHBondContact O-N 3.17Å
209S96Very high97Very high39 Ų3961.3 Ų61.327%0.27332%0.319SS..  trans-62.4131.4177-52.10000109.5H206 N211 I212H206-S209 PolarHBondContact N-OG 3.18Å; H206-S209 VanDerWaalsContact O-CB 3.3Å; H206-S209 WeakPolarHBondContact O-CB 3.32Å; H206-S209 PolarHBondContact O-N 2.99Å; H206-S209 PolarHBondContact O-OG 2.88Å; S209-N211 PolarHBondContact O-N 3.09Å; S209-I212 PolarHBondContact O-N 3.5Å
210N96.5Very high97.3Very high147 Ų14762 Ų6279%0.78631%0.314SS*.THydrogen-bonded Turntrans-59.6139.4173.5-65.9-34.6000109.7Q208 I212Q208-N210 PolarHBondContact O-N 3.17Å; N210-I212 PolarHBondContact O-N 3.38Å
211N95.9Very high97.3Very high97 Ų9761.6 Ų61.652%0.51931%0.311SS..THydrogen-bonded Turntrans53.138.3177.2-51.5-29.7000113.7S209 N213 E214 E215S209-N211 PolarHBondContact O-N 3.09Å; N211-N213 VanDerWaalsContact C-OD1 3.29Å; N211-N213 WeakPolarHBondContact CA-OD1 3.13Å; N211-N213 PolarHBondContact O-N 3.14Å; N211-N213 VanDerWaalsContact O-N 3.1Å; N211-E214 HydrophobicContact CB-CB 4.26Å; N211-E214 HydrophobicContact CB-CG 4.16Å; N211-E214 WeakPolarHBondContact O-CB 3.49Å; N211-E214 PolarHBondContact O-N 2.06Å; N211-E215 PolarHBondContact O-N 3.18Å
212I96.5Very high97.4Very high21 Ų2158.1 Ų58.111%0.10829%0.29CS..Hα-helixtrans-55-32.4-178.6-163.2172.6000112.9I180 C205 H206 S209 N210 E215 I216 W236I180-I212 HydrophobicContact CG2-CD1 3.99Å; C205-I212 HydrophobicContact CB-CD1 4.13Å; C205-I212 HydrophobicContact CB-CG1 4.13Å; H206-I212 WeakPolarHBondContact O-CD1 3.26Å; S209-I212 PolarHBondContact O-N 3.5Å; N210-I212 PolarHBondContact O-N 3.38Å; I212-E215 PolarHBondContact O-N 2.82Å; I212-I216 HydrophobicContact CG1-CD1 4.08Å; I212-I216 WeakPolarHBondContact O-CD1 3.35Å; I212-I216 WeakPolarHBondContact O-CG1 3.49Å; I212-I216 PolarHBondContact O-N 3.41Å; I212-W236 HydrophobicContact CG2-CZ3 4.36Å
213N97.8Very high97.4Very high64 Ų6456.2 Ų56.234%0.34228%0.279SS..Hα-helixtrans-59.9-42.4173.759.4-56000112.4N211 N217 W236N211-N213 VanDerWaalsContact C-OD1 3.29Å; N211-N213 WeakPolarHBondContact CA-OD1 3.13Å; N211-N213 PolarHBondContact O-N 3.14Å; N211-N213 VanDerWaalsContact O-N 3.1Å; N213-N217 WeakPolarHBondContact O-CB 3.42Å; N213-N217 PolarHBondContact O-N 3.27Å; N213-W236 HydrophobicContact CB-CB 4.46Å; N213-W236 HydrophobicContact CB-CD2 3.62Å; N213-W236 HydrophobicContact CB-CE3 4.26Å; N213-W236 HydrophobicContact CB-CG 3.69Å; N213-W236 HydrophobicContact CB-CZ2 4.19Å
214E98.3Very high97.4Very high83 Ų8354.6 Ų54.639%0.38827%0.27SS..Hα-helixtrans-69-40177.4-65-178.1-158.700111.5N211 N217 R218N211-E214 HydrophobicContact CB-CB 4.26Å; N211-E214 HydrophobicContact CB-CG 4.16Å; N211-E214 WeakPolarHBondContact O-CB 3.49Å; N211-E214 PolarHBondContact O-N 2.06Å; E214-N217 PolarHBondContact O-N 3.4Å; E214-R218 WeakPolarHBondContact O-CG 3.44Å; E214-R218 PolarHBondContact O-N 2.86Å; E214-R218 VanDerWaalsContact O-N 3.09Å; E214-R218 IonicContact OE2-NH2 3.36Å; E214-R218 PolarHBondContact OE2-NH2 3.07Å
215E98Very high97.3Very high39 Ų3951.2 Ų51.218%0.18226%0.257CS..Hα-helixtrans-62.1-45.4176.2-71.4-54.2137.200111.3R176 V178 N211 I212 N217 R218 G219R176-E215 IonicContact CZ-OE2 3.69Å; R176-E215 IonicContact NE-OE2 3.93Å; R176-E215 IonicContact NH2-OE1 3.95Å; R176-E215 IonicContact NH2-OE2 2.67Å; R176-E215 PolarHBondContact NH2-OE2 3.28Å; V178-E215 WeakPolarHBondContact CG2-O 3.38Å; N211-E215 PolarHBondContact O-N 3.18Å; I212-E215 PolarHBondContact O-N 2.82Å; E215-N217 VanDerWaalsContact C-N 3.3Å; E215-N217 PolarHBondContact O-N 3.22Å; E215-R218 PolarHBondContact O-N 2.94Å; E215-R218 IonicContact OE1-CZ 3.98Å; E215-R218 IonicContact OE1-NH1 2.84Å; E215-R218 PolarHBondContact OE1-NH1 3.45Å; E215-G219 PolarHBondContact O-N 3.06Å
216I98.5Very high97.1Very high0 Ų052.3 Ų52.30%026%0.264CS..Hα-helixtrans-60.1-41174.6-67.4166.6000111V178 I180 I212 R218 G219 V222 I232 W236 I237V178-I216 HydrophobicContact CG1-CG1 4.29Å; I180-I216 HydrophobicContact CD1-CD1 4.34Å; I180-I216 HydrophobicContact CD1-CG1 4.09Å; I180-I216 HydrophobicContact CG1-CD1 4.07Å; I180-I216 HydrophobicContact CG1-CG1 4.16Å; I212-I216 HydrophobicContact CG1-CD1 4.08Å; I212-I216 WeakPolarHBondContact O-CD1 3.35Å; I212-I216 WeakPolarHBondContact O-CG1 3.49Å; I212-I216 PolarHBondContact O-N 3.41Å; I216-R218 PolarHBondContact O-N 3.24Å; I216-G219 PolarHBondContact O-N 3.04Å; I216-G219 VanDerWaalsContact O-N 3.08Å; I216-V222 HydrophobicContact CG2-CG1 4.1Å; I216-V222 HydrophobicContact CG2-CG2 4.09Å; I216-I232 HydrophobicContact CD1-CD1 4.35Å; I216-I232 HydrophobicContact CD1-CG1 4.1Å; I216-I232 HydrophobicContact CD1-CG2 4.16Å; I216-I232 HydrophobicContact CG2-CG2 4.3Å; I216-W236 CarbonylContact C-O 3.47Å; I216-W236 HydrophobicContact CB-CB 4.28Å; I216-W236 HydrophobicContact CD1-CE3 3.77Å; I216-W236 HydrophobicContact CD1-CZ3 4.33Å; I216-W236 HydrophobicContact CG2-CB 3.94Å; I216-I237 HydrophobicContact CG2-CD1 3.81Å
217N98.5Very high97Very high73 Ų7349.5 Ų49.539%0.3926%0.262SS..Hα-helixtrans-67.8-22.5179.7-170.3-99.5000113.9N213 E214 E215 W236 K238N213-N217 WeakPolarHBondContact O-CB 3.42Å; N213-N217 PolarHBondContact O-N 3.27Å; E214-N217 PolarHBondContact O-N 3.4Å; E215-N217 VanDerWaalsContact C-N 3.3Å; E215-N217 PolarHBondContact O-N 3.22Å; N217-W236 WeakPolarHBondContact CA-O 3.33Å; N217-W236 VanDerWaalsContact CB-O 3.29Å; N217-W236 WeakPolarHBondContact CB-O 3.23Å; N217-W236 PolarHBondContact N-O 3.45Å; N217-W236 VanDerWaalsContact N-O 3.09Å; N217-W236 PolarHBondContact ND2-O 3.4Å; N217-K238 WeakPolarHBondContact O-CB 3.15Å; N217-K238 WeakPolarHBondContact O-CG 3.22Å
218R98.4Very high97.1Very high119 Ų11950.4 Ų50.445%0.44927%0.265SS..Hα-helixtrans-81.2-20173.6-67.8168.8-175.7154.76.8112.4R176 E214 E215 I216R176-R218 WeakPolarHBondContact CD-O 3.46Å; E214-R218 WeakPolarHBondContact O-CG 3.44Å; E214-R218 PolarHBondContact O-N 2.86Å; E214-R218 VanDerWaalsContact O-N 3.09Å; E214-R218 IonicContact OE2-NH2 3.36Å; E214-R218 PolarHBondContact OE2-NH2 3.07Å; E215-R218 PolarHBondContact O-N 2.94Å; E215-R218 IonicContact OE1-CZ 3.98Å; E215-R218 IonicContact OE1-NH1 2.84Å; E215-R218 PolarHBondContact OE1-NH1 3.45Å; I216-R218 PolarHBondContact O-N 3.24Å
219G98.6Very high97.1Very high0 Ų045.4 Ų45.40%025%0.246CC..  trans-69.1128.5-172.900000114E215 I216 K238E215-G219 PolarHBondContact O-N 3.06Å; I216-G219 PolarHBondContact O-N 3.04Å; I216-G219 VanDerWaalsContact O-N 3.08Å; G219-K238 WeakPolarHBondContact O-CB 3.47Å; G219-K238 WeakPolarHBondContact O-CD 3.43Å
220D98.7Very high97.1Very high46 Ų4646.4 Ų46.425%0.24624%0.244CC..SBendtrans-77.7-33.9168.3-59.4-52.1000111F170 R176 K238 A241 L242F170-D220 HydrophobicContact CE1-CB 4.31Å; F170-D220 HydrophobicContact CZ-CB 3.9Å; R176-D220 PolarHBondContact N-OD2 3.44Å; R176-D220 PolarHBondContact O-N 2.86Å; D220-K238 IonicContact OD1-NZ 2.66Å; D220-K238 PolarHBondContact OD1-NZ 2.91Å; D220-A241 WeakPolarHBondContact O-CA 3.44Å; D220-L242 PolarHBondContact O-N 3.46Å
221V98.9Very high97.1Very high0 Ų041.9 Ų41.90%022%0.22CC..EExtended strand (participates in β ladder)trans-125.2128170.9-175.10000108.4I165 F170 I172 R176 C177 V178 I223 L242I165-V221 HydrophobicContact CD1-CG1 4.47Å; F170-V221 HydrophobicContact CD1-CG2 3.76Å; F170-V221 HydrophobicContact CE1-CG2 3.46Å; F170-V221 VanDerWaalsContact CE1-CG2 3.46Å; F170-V221 HydrophobicContact CE2-CG2 4.26Å; F170-V221 HydrophobicContact CG-CG2 4.3Å; F170-V221 HydrophobicContact CZ-CG2 3.74Å; I172-V221 HydrophobicContact CD1-CG2 3.92Å; R176-V221 PolarHBondContact O-N 3.06Å; R176-V221 VanDerWaalsContact O-N 3.14Å; C177-V221 CarbonylContact C-O 3.5Å; C177-V221 WeakPolarHBondContact CA-O 3.42Å; V178-V221 PolarHBondContact N-O 2.87Å; V221-I223 HydrophobicContact CG1-CD1 4.29Å; V221-I223 HydrophobicContact CG1-CG1 4.01Å; V221-L242 CarbonylContact C-O 3.57Å; V221-L242 VanDerWaalsContact CA-O 3.32Å; V221-L242 WeakPolarHBondContact CA-O 3.44Å; V221-L242 HydrophobicContact CG1-CB 4.5Å; V221-L242 HydrophobicContact CG1-CD2 4.26Å; V221-L242 HydrophobicContact CG1-CG 4.3Å; V221-L242 HydrophobicContact CG2-CB 4.36Å; V221-L242 HydrophobicContact CG2-CD2 4.42Å
222V98.8Very high97.2Very high0 Ų037.3 Ų37.30%020%0.195CC..EExtended strand (participates in β ladder)trans-116.9122177.8178.90000108.6V178 I180 I216 I237 L242 V243 I244V178-V222 WeakPolarHBondContact O-CA 3.5Å; I180-V222 HydrophobicContact CD1-CG1 3.65Å; I216-V222 HydrophobicContact CG2-CG1 4.1Å; I216-V222 HydrophobicContact CG2-CG2 4.09Å; V222-I237 HydrophobicContact CG1-CD1 4.29Å; V222-I237 HydrophobicContact CG2-CD1 4.44Å; V222-L242 PolarHBondContact N-O 3.1Å; V222-V243 HydrophobicContact CB-CG2 4.4Å; V222-V243 CarbonylContact O-C 3.23Å; V222-V243 WeakPolarHBondContact O-CA 3.42Å; V222-I244 PolarHBondContact O-N 3.48Å
223I98.8Very high97.3Very high0 Ų039.4 Ų39.40%020%0.204CC..EExtended strand (participates in β ladder)trans-120.2117.5178.6-52.2-175.8000109C161 V178 I179 I180 T190 L194 V221 I244C161-I223 HydrophobicContact CB-CD1 4.14Å; V178-I223 PolarHBondContact O-N 2.97Å; I179-I223 WeakPolarHBondContact CA-O 3.38Å; I179-I223 HydrophobicContact CG1-CB 4.23Å; I179-I223 HydrophobicContact CG1-CD1 4.5Å; I180-I223 WeakPolarHBondContact CD1-O 3.49Å; I180-I223 PolarHBondContact N-O 3Å; T190-I223 HydrophobicContact CG2-CD1 3.55Å; L194-I223 HydrophobicContact CD1-CD1 3.67Å; V221-I223 HydrophobicContact CG1-CD1 4.29Å; V221-I223 HydrophobicContact CG1-CG1 4.01Å; I223-I244 WeakPolarHBondContact CA-O 3.44Å; I223-I244 HydrophobicContact CD1-CD1 4.37Å; I223-I244 HydrophobicContact CG1-CB 4.22Å; I223-I244 HydrophobicContact CG1-CD1 4.45Å; I223-I244 HydrophobicContact CG2-CB 4.45Å
224S98.2Very high97.3Very high0 Ų036.4 Ų36.40%019%0.188CC..EExtended strand (participates in β ladder)trans-92.1137173.865.80000111.2I244 D245 C246S224-I244 PolarHBondContact N-O 3.39Å; S224-D245 VanDerWaalsContact OG-CA 3.23Å; S224-D245 WeakPolarHBondContact OG-CA 3.33Å; S224-D245 PolarHBondContact OG-OD1 2.86Å; S224-C246 WeakPolarHBondContact O-CA 3.25Å; S224-C246 WeakPolarHBondContact O-CB 3.16Å; S224-C246 PolarHBondContact O-N 3.33Å; S224-C246 PolarHBondContact OG-N 3.04Å
225A96.2Very high97.3Very high18 Ų1839.4 Ų39.415%0.14920%0.202CC..  trans-153.540.3-178.600000110.6I180 V186I180-A225 CarbonylContact O-C 3.57Å; I180-A225 WeakPolarHBondContact O-CA 3.44Å; I180-A225 WeakPolarHBondContact O-CB 3.21Å; I180-A225 PolarHBondContact O-N 3.45Å; V186-A225 HydrophobicContact CB-CB 3.75Å; V186-A225 HydrophobicContact CG1-CB 3.7Å
226V94.8Very high97.3Very high28 Ų2840 Ų4017%0.1720%0.202CC..SBendtrans-107.6-22.5-173.8-67.80000113.9I180 I207 H228 L231 D265I180-V226 VanDerWaalsContact C-CG1 3.48Å; I180-V226 HydrophobicContact CB-CG1 4.11Å; I180-V226 HydrophobicContact CG2-CB 4.47Å; I180-V226 HydrophobicContact CG2-CG1 3.29Å; I180-V226 HydrophobicContact CG2-CG2 4.39Å; I180-V226 WeakPolarHBondContact O-CG1 3.3Å; I207-V226 HydrophobicContact CG2-CB 3.88Å; I207-V226 HydrophobicContact CG2-CG1 3.59Å; I207-V226 HydrophobicContact CG2-CG2 4.47Å; V226-H228 VanDerWaalsContact C-N 3.28Å; V226-H228 HydrophobicContact CG2-CB 3.99Å; V226-H228 PolarHBondContact O-N 3.43Å; V226-L231 HydrophobicContact CG2-CD2 3.92Å; V226-D265 HydrophobicContact CG2-CB 4.02Å; V226-D265 VanDerWaalsContact CG2-CG 3.5Å; V226-D265 WeakPolarHBondContact CG2-OD2 2.99Å; V226-D265 PolarHBondContact N-OD2 3.13Å
227G92.7Very high97.3Very high43 Ų4340 Ų4044%0.44320%0.203SC..  trans67.330.8-177.400000112.9D265G227-D265 VanDerWaalsContact CA-OD1 3.27Å; G227-D265 WeakPolarHBondContact CA-OD1 3.14Å; G227-D265 PolarHBondContact N-OD1 2.06Å; G227-D265 VanDerWaalsContact N-OD1 3.14Å; G227-D265 PolarHBondContact N-OD2 3.43Å
228H94.4Very high97.3Very high85 Ų8539.8 Ų39.839%0.39420%0.198SC..  trans-116.9105.2176.8-78.4-70.2000109V226 R230 L231 D265V226-H228 VanDerWaalsContact C-N 3.28Å; V226-H228 HydrophobicContact CG2-CB 3.99Å; V226-H228 PolarHBondContact O-N 3.43Å; H228-R230 PolarHBondContact O-N 2.8Å; H228-L231 HydrophobicContact CB-CB 4.06Å; H228-L231 HydrophobicContact CB-CD2 4.27Å; H228-L231 WeakPolarHBondContact O-CB 3.32Å; H228-L231 PolarHBondContact O-N 2.99Å; H228-D265 PolarHBondContact N-OD1 2.9Å; H228-D265 WeakPolarHBondContact O-CA 3.47Å
229P95.2Very high97.3Very high52 Ų5237.5 Ų37.534%0.33820%0.199SC..THydrogen-bonded Turntrans-61.3130.2-169.223.9-33.2000111.3L231 L251 V263 G264P229-L231 PolarHBondContact O-N 2.57Å; P229-L231 VanDerWaalsContact O-N 3.16Å; P229-L251 HydrophobicContact CB-CD1 4.37Å; P229-L251 HydrophobicContact CG-CD2 4.25Å; P229-V263 HydrophobicContact CB-CG2 3.63Å; P229-G264 WeakPolarHBondContact CA-O 3.42Å
230R95.6Very high97.2Very high59 Ų5939.3 Ų39.322%0.22322%0.218CC..THydrogen-bonded Turntrans56.226.8176.2-60.5-177.2176.4-105.6-10.4114.5H228 K233 G264 D265 E267 E269H228-R230 PolarHBondContact O-N 2.8Å; R230-K233 PolarHBondContact O-NZ 2.87Å; R230-G264 PolarHBondContact N-O 3.5Å; R230-D265 CarbonylContact C-O 3.59Å; R230-D265 VanDerWaalsContact C-O 3.32Å; R230-D265 VanDerWaalsContact CA-O 3.31Å; R230-D265 WeakPolarHBondContact CA-O 3.45Å; R230-D265 PolarHBondContact N-O 3.35Å; R230-E267 HydrophobicContact CB-CG 3.67Å; R230-E267 HydrophobicContact CG-CG 4.04Å; R230-E269 IonicContact CZ-OE1 3.1Å; R230-E269 IonicContact CZ-OE2 3.23Å; R230-E269 IonicContact NH1-OE1 3.9Å; R230-E269 IonicContact NH1-OE2 2.73Å; R230-E269 PolarHBondContact NH1-OE2 3.26Å; R230-E269 IonicContact NH2-OE1 3.4Å; R230-E269 PolarHBondContact NH2-OE1 3.45Å; R230-E269 IonicContact NH2-OE2 2.84Å; R230-E269 PolarHBondContact NH2-OE2 3.43Å
231L97.1Very high97.2Very high53 Ų5337.2 Ų37.228%0.27721%0.206SC..  trans-61.4-47173.3178.767.4000111I207 V226 H228 P229 K233 W236 D265I207-L231 HydrophobicContact CG2-CD2 3.88Å; V226-L231 HydrophobicContact CG2-CD2 3.92Å; H228-L231 HydrophobicContact CB-CB 4.06Å; H228-L231 HydrophobicContact CB-CD2 4.27Å; H228-L231 WeakPolarHBondContact O-CB 3.32Å; H228-L231 PolarHBondContact O-N 2.99Å; P229-L231 PolarHBondContact O-N 2.57Å; P229-L231 VanDerWaalsContact O-N 3.16Å; L231-K233 PolarHBondContact O-N 3.3Å; L231-W236 WeakPolarHBondContact O-CH2 3.08Å; L231-W236 VanDerWaalsContact O-CZ3 3.25Å; L231-W236 WeakPolarHBondContact O-CZ3 3.13Å; L231-D265 PolarHBondContact N-O 3.33Å
232I98.1Very high97.2Very high1 Ų137.2 Ų37.21%0.00521%0.206CC..BIsolated β-bridgetrans-85.2115.1-173.9-59.2177000109.5I180 I216 W236 I237 D265 V266 E267I180-I232 HydrophobicContact CB-CD1 4.29Å; I180-I232 HydrophobicContact CD1-CD1 3.73Å; I180-I232 HydrophobicContact CG1-CD1 3.87Å; I216-I232 HydrophobicContact CD1-CD1 4.35Å; I216-I232 HydrophobicContact CD1-CG1 4.1Å; I216-I232 HydrophobicContact CD1-CG2 4.16Å; I216-I232 HydrophobicContact CG2-CG2 4.3Å; I232-W236 HydrophobicContact CG2-CE3 4.38Å; I232-I237 HydrophobicContact CG2-CD1 3.82Å; I232-D265 PolarHBondContact N-O 3.23Å; I232-V266 HydrophobicContact CB-CG2 4.12Å; I232-V266 HydrophobicContact CD1-CG2 4.21Å; I232-V266 HydrophobicContact CG2-CG1 4.43Å; I232-V266 HydrophobicContact CG2-CG2 4.37Å; I232-E267 PolarHBondContact O-N 3.15Å
233K98.1Very high97.2Very high64 Ų6437.2 Ų37.228%0.27821%0.206SC..  trans-81.6146.4-178.8-51.2-54.6-179.6-169.50111.3R230 L231 E235 W236 E267R230-K233 PolarHBondContact O-NZ 2.87Å; L231-K233 PolarHBondContact O-N 3.3Å; K233-E235 VanDerWaalsContact C-N 3.26Å; K233-E235 HydrophobicContact CB-CG 4.06Å; K233-E235 PolarHBondContact O-N 3.22Å; K233-W236 HydrophobicContact CB-CD2 3.83Å; K233-W236 HydrophobicContact CB-CE3 4.4Å; K233-W236 HydrophobicContact CB-CG 4.02Å; K233-W236 HydrophobicContact CB-CZ2 4.29Å; K233-W236 HydrophobicContact CG-CD2 4.02Å; K233-W236 HydrophobicContact CG-CE3 4.39Å; K233-W236 HydrophobicContact CG-CH2 4.01Å; K233-W236 HydrophobicContact CG-CZ2 3.57Å; K233-W236 HydrophobicContact CG-CZ3 4.4Å; K233-W236 WeakPolarHBondContact O-CB 3.22Å; K233-W236 PolarHBondContact O-N 2.91Å; K233-W236 VanDerWaalsContact O-N 3.08Å; K233-E267 HydrophobicContact CD-CG 4.27Å; K233-E267 VanDerWaalsContact CD-OE1 3.3Å; K233-E267 WeakPolarHBondContact CD-OE1 3.18Å; K233-E267 WeakPolarHBondContact CD-OE2 3.45Å; K233-E267 IonicContact NZ-OE1 2.67Å; K233-E267 PolarHBondContact NZ-OE1 2.95Å
234G97.7Very high97.2Very high1 Ų137.2 Ų37.21%0.0121%0.206CC..G310 helixtrans-59.9-35.3179.200000113.7W236 I237 T270 A271 N274G234-W236 PolarHBondContact O-N 3.16Å; G234-I237 WeakPolarHBondContact O-CB 3.3Å; G234-I237 PolarHBondContact O-N 3.48Å; G234-I237 VanDerWaalsContact O-N 3.12Å; G234-T270 WeakPolarHBondContact CA-OG1 3.31Å; G234-T270 PolarHBondContact N-OG1 3.45Å; G234-A271 VanDerWaalsContact CA-CA 3.47Å; G234-N274 PolarHBondContact O-ND2 3.28Å
235E97.7Very high97.2Very high147 Ų14737.4 Ų37.469%0.68721%0.207SC*.G310 helixtrans-67-18.9177.371.4-165.8-161.600113.7K233 I237K233-E235 VanDerWaalsContact C-N 3.26Å; K233-E235 HydrophobicContact CB-CG 4.06Å; K233-E235 PolarHBondContact O-N 3.22Å; E235-I237 VanDerWaalsContact C-N 3.32Å
236W98.5Very high97.3Very high50 Ų5037.7 Ų37.719%0.18921%0.208CC..G310 helixtrans-79.3-20.5174.8-56.1-11.2000111.5I212 N213 I216 N217 L231 I232 K233 G234 K238I212-W236 HydrophobicContact CG2-CZ3 4.36Å; N213-W236 HydrophobicContact CB-CB 4.46Å; N213-W236 HydrophobicContact CB-CD2 3.62Å; N213-W236 HydrophobicContact CB-CE3 4.26Å; N213-W236 HydrophobicContact CB-CG 3.69Å; N213-W236 HydrophobicContact CB-CZ2 4.19Å; I216-W236 CarbonylContact C-O 3.47Å; I216-W236 HydrophobicContact CB-CB 4.28Å; I216-W236 HydrophobicContact CD1-CE3 3.77Å; I216-W236 HydrophobicContact CD1-CZ3 4.33Å; I216-W236 HydrophobicContact CG2-CB 3.94Å; N217-W236 WeakPolarHBondContact CA-O 3.33Å; N217-W236 VanDerWaalsContact CB-O 3.29Å; N217-W236 WeakPolarHBondContact CB-O 3.23Å; N217-W236 PolarHBondContact N-O 3.45Å; N217-W236 VanDerWaalsContact N-O 3.09Å; N217-W236 PolarHBondContact ND2-O 3.4Å; L231-W236 WeakPolarHBondContact O-CH2 3.08Å; L231-W236 VanDerWaalsContact O-CZ3 3.25Å; L231-W236 WeakPolarHBondContact O-CZ3 3.13Å; I232-W236 HydrophobicContact CG2-CE3 4.38Å; K233-W236 HydrophobicContact CB-CD2 3.83Å; K233-W236 HydrophobicContact CB-CE3 4.4Å; K233-W236 HydrophobicContact CB-CG 4.02Å; K233-W236 HydrophobicContact CB-CZ2 4.29Å; K233-W236 HydrophobicContact CG-CD2 4.02Å; K233-W236 HydrophobicContact CG-CE3 4.39Å; K233-W236 HydrophobicContact CG-CH2 4.01Å; K233-W236 HydrophobicContact CG-CZ2 3.57Å; K233-W236 HydrophobicContact CG-CZ3 4.4Å; K233-W236 WeakPolarHBondContact O-CB 3.22Å; K233-W236 PolarHBondContact O-N 2.91Å; K233-W236 VanDerWaalsContact O-N 3.08Å; G234-W236 PolarHBondContact O-N 3.16Å; W236-K238 PolarHBondContact O-N 2.86Å
237I98.6Very high97.3Very high1 Ų136.5 Ų36.51%0.00520%0.202CC..SBendtrans-73.9126.7-176.6-56.5-58.3000110.3I216 V222 I232 G234 E235 A241 V243 A271 N274 A275I216-I237 HydrophobicContact CG2-CD1 3.81Å; V222-I237 HydrophobicContact CG1-CD1 4.29Å; V222-I237 HydrophobicContact CG2-CD1 4.44Å; I232-I237 HydrophobicContact CG2-CD1 3.82Å; G234-I237 WeakPolarHBondContact O-CB 3.3Å; G234-I237 PolarHBondContact O-N 3.48Å; G234-I237 VanDerWaalsContact O-N 3.12Å; E235-I237 VanDerWaalsContact C-N 3.32Å; I237-A241 HydrophobicContact CG2-CB 4.05Å; I237-V243 HydrophobicContact CD1-CG2 3.97Å; I237-V243 HydrophobicContact CG1-CG2 4.36Å; I237-V243 HydrophobicContact CG2-CG2 3.75Å; I237-A271 HydrophobicContact CG1-CB 4.05Å; I237-N274 HydrophobicContact CB-CB 4.13Å; I237-N274 HydrophobicContact CG2-CB 4.24Å; I237-N274 WeakPolarHBondContact O-CB 3.45Å; I237-A275 HydrophobicContact CG2-CB 4.12Å
238K98.4Very high97.3Very high69 Ų6940.4 Ų40.430%0.320%0.204SC..PPolyproline II helixtrans-57.3129.7171.4-169-179.6177176.70110.5N217 G219 D220 W236 G240 A241N217-K238 WeakPolarHBondContact O-CB 3.15Å; N217-K238 WeakPolarHBondContact O-CG 3.22Å; G219-K238 WeakPolarHBondContact O-CB 3.47Å; G219-K238 WeakPolarHBondContact O-CD 3.43Å; D220-K238 IonicContact OD1-NZ 2.66Å; D220-K238 PolarHBondContact OD1-NZ 2.91Å; W236-K238 PolarHBondContact O-N 2.86Å; K238-G240 PolarHBondContact O-N 3.41Å; K238-A241 HydrophobicContact CB-CB 4.18Å; K238-A241 VanDerWaalsContact O-CB 3.24Å; K238-A241 WeakPolarHBondContact O-CB 3.44Å; K238-A241 PolarHBondContact O-N 3.31Å; K238-A241 VanDerWaalsContact O-N 3.07Å
239P98Very high97.1Very high70 Ų7037.2 Ų37.246%0.45519%0.191SC..THydrogen-bonded Turntrans-54127171.1-27.936.2000111.5M1 N274M1-P239 HydrophobicContact CE-CB 4.19Å; P239-N274 CarbonylContact C-O 3.57Å; P239-N274 VanDerWaalsContact CA-O 3.32Å; P239-N274 WeakPolarHBondContact CA-O 3.41Å
240G97.2Very high96.8Very high39 Ų3937.8 Ų37.840%0.40219%0.193SC..THydrogen-bonded Turntrans93.1-5.3-17900000115.7K238 N274 K276K238-G240 PolarHBondContact O-N 3.41Å; G240-N274 PolarHBondContact N-O 3.36Å; G240-K276 VanDerWaalsContact O-CB 3.31Å; G240-K276 WeakPolarHBondContact O-CB 3.34Å
241A98.5Very high96.4Very high1 Ų137.6 Ų37.61%0.00820%0.197CC..  trans-67.1157.6-177.200000114D220 I237 K238 K276 W277D220-A241 WeakPolarHBondContact O-CA 3.44Å; I237-A241 HydrophobicContact CG2-CB 4.05Å; K238-A241 HydrophobicContact CB-CB 4.18Å; K238-A241 VanDerWaalsContact O-CB 3.24Å; K238-A241 WeakPolarHBondContact O-CB 3.44Å; K238-A241 PolarHBondContact O-N 3.31Å; K238-A241 VanDerWaalsContact O-N 3.07Å; A241-K276 PolarHBondContact O-N 2.71Å; A241-W277 PolarHBondContact O-N 3.42Å
242L98.8Very high95.9Very high0 Ų040.6 Ų40.60%021%0.213CC..EExtended strand (participates in β ladder)trans-93.8121.6163.4168.562.2000109.3L7 I165 V168 F170 D220 V221 V222 I244 W277L7-L242 HydrophobicContact CD1-CD1 3.61Å; I165-L242 HydrophobicContact CB-CD2 4.46Å; I165-L242 HydrophobicContact CG1-CD2 3.8Å; V168-L242 HydrophobicContact CG2-CD1 4.46Å; V168-L242 HydrophobicContact CG2-CD2 4.02Å; F170-L242 HydrophobicContact CB-CD2 4.29Å; F170-L242 HydrophobicContact CD2-CB 3.96Å; F170-L242 HydrophobicContact CD2-CD2 4.15Å; F170-L242 HydrophobicContact CE2-CB 4.01Å; F170-L242 HydrophobicContact CG-CD2 4.28Å; D220-L242 PolarHBondContact O-N 3.46Å; V221-L242 CarbonylContact C-O 3.57Å; V221-L242 VanDerWaalsContact CA-O 3.32Å; V221-L242 WeakPolarHBondContact CA-O 3.44Å; V221-L242 HydrophobicContact CG1-CB 4.5Å; V221-L242 HydrophobicContact CG1-CD2 4.26Å; V221-L242 HydrophobicContact CG1-CG 4.3Å; V221-L242 HydrophobicContact CG2-CB 4.36Å; V221-L242 HydrophobicContact CG2-CD2 4.42Å; V222-L242 PolarHBondContact N-O 3.1Å; L242-I244 HydrophobicContact CD1-CG1 4.27Å; L242-I244 HydrophobicContact CD2-CD1 4.29Å; L242-I244 HydrophobicContact CG-CD1 4.43Å; L242-I244 HydrophobicContact CG-CG1 4.23Å; L242-W277 HydrophobicContact CB-CE3 4.33Å; L242-W277 HydrophobicContact CD1-CB 3.6Å; L242-W277 HydrophobicContact CD1-CG 4.47Å
243V98.8Very high95.1Very high0 Ų042.6 Ų42.60%022%0.224CC..EExtended strand (participates in β ladder)trans-110.9123.9178.7-177.10000110.3V222 I237 V266 A275 W277 I278 T279V222-V243 HydrophobicContact CB-CG2 4.4Å; V222-V243 CarbonylContact O-C 3.23Å; V222-V243 WeakPolarHBondContact O-CA 3.42Å; I237-V243 HydrophobicContact CD1-CG2 3.97Å; I237-V243 HydrophobicContact CG1-CG2 4.36Å; I237-V243 HydrophobicContact CG2-CG2 3.75Å; V243-V266 HydrophobicContact CG1-CG1 4.35Å; V243-V266 HydrophobicContact CG1-CG2 3.97Å; V243-A275 HydrophobicContact CB-CB 4.45Å; V243-A275 HydrophobicContact CG2-CB 3.73Å; V243-W277 PolarHBondContact N-O 3.2Å; V243-I278 HydrophobicContact CB-CB 4.18Å; V243-I278 HydrophobicContact CB-CD1 4.17Å; V243-I278 HydrophobicContact CB-CG1 3.92Å; V243-I278 HydrophobicContact CG1-CD1 4.05Å; V243-I278 HydrophobicContact CG1-CG1 4.06Å; V243-I278 VanDerWaalsContact O-CA 3.3Å; V243-I278 WeakPolarHBondContact O-CA 3.36Å; V243-T279 PolarHBondContact O-N 3Å
244I98.8Very high94.2Very high0 Ų045.9 Ų45.90%025%0.251CS..EExtended strand (participates in β ladder)trans-118.2105.9176.7-56.8173000108.2C161 F164 I165 V222 I223 S224 L242 T279 V285C161-I244 HydrophobicContact CB-CD1 4.32Å; C161-I244 HydrophobicContact CB-CG2 4.47Å; C161-I244 WeakPolarHBondContact O-CD1 3.3Å; F164-I244 HydrophobicContact CB-CD1 3.84Å; F164-I244 HydrophobicContact CB-CG1 4.29Å; F164-I244 HydrophobicContact CD2-CG2 4.5Å; I165-I244 HydrophobicContact CD1-CD1 4.45Å; I165-I244 HydrophobicContact CG1-CD1 4.01Å; V222-I244 PolarHBondContact O-N 3.48Å; I223-I244 WeakPolarHBondContact CA-O 3.44Å; I223-I244 HydrophobicContact CD1-CD1 4.37Å; I223-I244 HydrophobicContact CG1-CB 4.22Å; I223-I244 HydrophobicContact CG1-CD1 4.45Å; I223-I244 HydrophobicContact CG2-CB 4.45Å; S224-I244 PolarHBondContact N-O 3.39Å; L242-I244 HydrophobicContact CD1-CG1 4.27Å; L242-I244 HydrophobicContact CD2-CD1 4.29Å; L242-I244 HydrophobicContact CG-CD1 4.43Å; L242-I244 HydrophobicContact CG-CG1 4.23Å; I244-T279 HydrophobicContact CG1-CG2 4.43Å; I244-T279 HydrophobicContact CG2-CG2 4.22Å; I244-V285 HydrophobicContact CG2-CG2 3.56Å
245D98.6Very high93.6Very high4 Ų456.4 Ų56.42%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-91.2103.7-179.5-165.7-11.4000110.8S224 G247 G264 D265 V266 T279 V281 V285S224-D245 VanDerWaalsContact OG-CA 3.23Å; S224-D245 WeakPolarHBondContact OG-CA 3.33Å; S224-D245 PolarHBondContact OG-OD1 2.86Å; D245-G247 WeakPolarHBondContact OD1-CA 3.18Å; D245-G247 PolarHBondContact OD1-N 3.35Å; D245-G264 VanDerWaalsContact OD2-CA 3.25Å; D245-G264 WeakPolarHBondContact OD2-CA 3.44Å; D245-D265 PolarHBondContact OD1-N 2.86Å; D245-D265 PolarHBondContact OD2-N 2.9Å; D245-D265 VanDerWaalsContact OD2-N 3.09Å; D245-V266 HydrophobicContact CB-CB 4.47Å; D245-V266 HydrophobicContact CB-CG2 4.02Å; D245-V266 WeakPolarHBondContact OD2-CB 3.32Å; D245-V266 PolarHBondContact OD2-N 3.01Å; D245-T279 PolarHBondContact N-OG1 3.45Å; D245-V281 HydrophobicContact CB-CG2 3.85Å; D245-V285 WeakPolarHBondContact O-CG2 2.93Å
246C97.7Very high92.9Very high24 Ų2451.9 Ų51.916%0.16227%0.271CS..  trans-94.2-0.3174.4-45.90000112.2T157 C161 V186 S224 V285T157-C246 HydrophobicContact CG2-CB 4.34Å; C161-C246 PolarHBondContact SG-SG 3.19Å; V186-C246 HydrophobicContact CG1-CB 3.77Å; S224-C246 WeakPolarHBondContact O-CA 3.25Å; S224-C246 WeakPolarHBondContact O-CB 3.16Å; S224-C246 PolarHBondContact O-N 3.33Å; S224-C246 PolarHBondContact OG-N 3.04Å; C246-V285 HydrophobicContact CB-CG1 4.39Å
247G94.5Very high91.9Very high4 Ų454.6 Ų54.64%0.04130%0.295CS..  trans-64.4142.617400000111.1D245 D265 V281D245-G247 WeakPolarHBondContact OD1-CA 3.18Å; D245-G247 PolarHBondContact OD1-N 3.35Å; G247-D265 VanDerWaalsContact CA-CG 3.42Å; G247-D265 WeakPolarHBondContact CA-OD1 3.21Å; G247-D265 WeakPolarHBondContact CA-OD2 3.28Å; G247-V281 WeakPolarHBondContact O-CG1 3.41Å
248Y92.2Very high91Very high125 Ų12561.9 Ų61.949%0.4934%0.335SS..  trans-148.1107.1173.1-171.4-86.8000109.7V250 C262 V281 P282Y248-V250 HydrophobicContact CE1-CG2 3.84Å; Y248-C262 HydrophobicContact CE2-CB 3.89Å; Y248-C262 VanDerWaalsContact CZ-SG 3.57Å; Y248-C262 PolarHBondContact OH-SG 3.13Å; Y248-V281 HydrophobicContact CD2-CG1 3.9Å; Y248-P282 HydrophobicContact CE2-CB 4.29Å
249S91.8Very high90.2Very high18 Ų1864.6 Ų64.613%0.12635%0.346CS..EExtended strand (participates in β ladder)trans-124.6136.1177.5-67.70000110.2C262 V263S249-C262 CarbonylContact O-C 3.58Å; S249-C262 WeakPolarHBondContact O-CA 3.18Å; S249-V263 PolarHBondContact N-O 3.44Å; S249-V263 PolarHBondContact O-N 3.25Å
250V88.8Confident89.6Confident63 Ų6364.6 Ų64.638%0.38235%0.348SS..EExtended strand (participates in β ladder)trans-97.9114.9173.9-1780000108.3Y248Y248-V250 HydrophobicContact CE1-CG2 3.84Å
251L86.9Confident89.2Confident55 Ų5568.8 Ų68.829%0.28835%0.352SS..EExtended strand (participates in β ladder)trans-106.2127.4177.7-60.6-178.4000109.7P229 S260 R261 V263P229-L251 HydrophobicContact CB-CD1 4.37Å; P229-L251 HydrophobicContact CG-CD2 4.25Å; L251-S260 CarbonylContact O-C 3.54Å; L251-S260 WeakPolarHBondContact O-CA 3.47Å; L251-S260 WeakPolarHBondContact O-CB 3.43Å; L251-R261 HydrophobicContact CB-CG 4.23Å; L251-R261 PolarHBondContact N-O 3.23Å; L251-R261 PolarHBondContact O-N 2.89Å; L251-V263 HydrophobicContact CD1-CG1 4.42Å; L251-V263 HydrophobicContact CD1-CG2 3.53Å; L251-V263 HydrophobicContact CG-CG2 3.86Å
252N85.7Confident88.8Confident116 Ų11670.6 Ų70.662%0.6236%0.364SS*.EExtended strand (participates in β ladder)trans-70.3143.1171.5-64.7-28.3000110.1P254N252-P254 WeakPolarHBondContact O-CD 3.48Å
253D81Confident88.6Confident44 Ų4471 Ų7124%0.23537%0.366CS..EExtended strand (participates in β ladder)trans-71.6119.2171.1-172.4-32.6000108R255 N256 K259D253-R255 PolarHBondContact O-N 3.24Å; D253-R255 VanDerWaalsContact O-N 3.08Å; D253-R255 WeakPolarHBondContact OD1-CB 3.43Å; D253-R255 PolarHBondContact OD1-N 2.94Å; D253-R255 IonicContact OD1-NE 3.73Å; D253-N256 HydrophobicContact CB-CB 4.41Å; D253-N256 CarbonylContact O-C 3.59Å; D253-N256 VanDerWaalsContact O-C 3.23Å; D253-N256 PolarHBondContact O-N 3.47Å; D253-N256 VanDerWaalsContact O-O 3.13Å; D253-K259 HydrophobicContact CB-CB 3.91Å; D253-K259 WeakPolarHBondContact CB-O 3.47Å; D253-K259 PolarHBondContact N-O 3.47Å
254P80.5Confident88.5Confident132 Ų13271.2 Ų71.286%0.85737%0.368SS*.THydrogen-bonded Turntrans-61.8-19.9-179.124.3-33.2000112.9N252N252-P254 WeakPolarHBondContact O-CD 3.48Å
255R84.5Confident88.4Confident222 Ų22271.2 Ų71.284%0.83837%0.368SS*.THydrogen-bonded Turntrans-94.8-13177.5-59.8174.5-65.2-175.5-0.2113D253D253-R255 PolarHBondContact O-N 3.24Å; D253-R255 VanDerWaalsContact O-N 3.08Å; D253-R255 WeakPolarHBondContact OD1-CB 3.43Å; D253-R255 PolarHBondContact OD1-N 2.94Å; D253-R255 IonicContact OD1-NE 3.73Å
256N83.4Confident88.4Confident52 Ų5271.2 Ų71.228%0.27837%0.369SS..EExtended strand (participates in β ladder)trans-149.5100.2-179.9-171.5-27.1000110.6D253 N258 K259D253-N256 HydrophobicContact CB-CB 4.41Å; D253-N256 CarbonylContact O-C 3.59Å; D253-N256 VanDerWaalsContact O-C 3.23Å; D253-N256 PolarHBondContact O-N 3.47Å; D253-N256 VanDerWaalsContact O-O 3.13Å; N256-N258 PolarHBondContact O-N 3.26Å; N256-N258 WeakPolarHBondContact OD1-CB 3.47Å; N256-N258 PolarHBondContact OD1-N 3.36Å; N256-K259 HydrophobicContact CB-CB 4.18Å; N256-K259 HydrophobicContact CB-CD 4.17Å; N256-K259 HydrophobicContact CB-CG 4.16Å; N256-K259 PolarHBondContact O-N 2.98Å
257P77Confident88.4Confident107 Ų10772 Ų7270%0.69537%0.37SS*.EExtended strand (participates in β ladder)trans-63.3-17.3-177.425.4-33.6000113.6K259P257-K259 VanDerWaalsContact C-N 3.31Å
258N79.8Confident88.6Confident155 Ų15574.4 Ų74.483%0.82938%0.38SS*.EExtended strand (participates in β ladder)trans-86.2-2.3175.8-61.3-30.3000113N256N256-N258 PolarHBondContact O-N 3.26Å; N256-N258 WeakPolarHBondContact OD1-CB 3.47Å; N256-N258 PolarHBondContact OD1-N 3.36Å
259K82.5Confident88.8Confident125 Ų12573.2 Ų73.254%0.54338%0.378SS..EExtended strand (participates in β ladder)trans-111.2130.5175-69.5-174.8178.9-176.70109.1D253 N256 P257D253-K259 HydrophobicContact CB-CB 3.91Å; D253-K259 WeakPolarHBondContact CB-O 3.47Å; D253-K259 PolarHBondContact N-O 3.47Å; N256-K259 HydrophobicContact CB-CB 4.18Å; N256-K259 HydrophobicContact CB-CD 4.17Å; N256-K259 HydrophobicContact CB-CG 4.16Å; N256-K259 PolarHBondContact O-N 2.98Å; P257-K259 VanDerWaalsContact C-N 3.31Å
260S84.7Confident89Confident71 Ų7175.1 Ų75.150%0.49739%0.389SS..EExtended strand (participates in β ladder)trans-127.3154.7167.864.20000109.6L251L251-S260 CarbonylContact O-C 3.54Å; L251-S260 WeakPolarHBondContact O-CA 3.47Å; L251-S260 WeakPolarHBondContact O-CB 3.43Å
261R88Confident89.5Confident126 Ų12672.1 Ų72.148%0.47537%0.371SS..EExtended strand (participates in β ladder)trans-125142174.264.6177-174.3137-0.8109.5L251 V263L251-R261 HydrophobicContact CB-CG 4.23Å; L251-R261 PolarHBondContact N-O 3.23Å; L251-R261 PolarHBondContact O-N 2.89Å; R261-V263 HydrophobicContact CG-CG1 4.23Å
262C90.2Very high90Very high39 Ų3970.2 Ų70.226%0.26436%0.361SS..EExtended strand (participates in β ladder)trans-88.9132.9172-56.80000108.4Y248 S249 P282Y248-C262 HydrophobicContact CE2-CB 3.89Å; Y248-C262 VanDerWaalsContact CZ-SG 3.57Å; Y248-C262 PolarHBondContact OH-SG 3.13Å; S249-C262 CarbonylContact O-C 3.58Å; S249-C262 WeakPolarHBondContact O-CA 3.18Å; C262-P282 HydrophobicContact CB-CG 4.43Å
263V94.5Very high90.6Very high9 Ų969.7 Ų69.76%0.05536%0.355CS..EExtended strand (participates in β ladder)trans-134.9152.7175.7-61.50000109.8P229 S249 L251 R261P229-V263 HydrophobicContact CB-CG2 3.63Å; S249-V263 PolarHBondContact N-O 3.44Å; S249-V263 PolarHBondContact O-N 3.25Å; L251-V263 HydrophobicContact CD1-CG1 4.42Å; L251-V263 HydrophobicContact CD1-CG2 3.53Å; L251-V263 HydrophobicContact CG-CG2 3.86Å; R261-V263 HydrophobicContact CG-CG1 4.23Å
264G97.1Very high91.4Very high4 Ų470 Ų704%0.04136%0.357CS..  trans-90.4-174.1174.500000113P229 R230 D245 V266P229-G264 WeakPolarHBondContact CA-O 3.42Å; R230-G264 PolarHBondContact N-O 3.5Å; D245-G264 VanDerWaalsContact OD2-CA 3.25Å; D245-G264 WeakPolarHBondContact OD2-CA 3.44Å; G264-V266 VanDerWaalsContact C-N 3.26Å
265D98.2Very high92.3Very high0 Ų063.9 Ų63.90%032%0.317CS..SBendtrans-76.4-19177-64.8-20.6000111.5V226 G227 H228 R230 L231 I232 D245 G247V226-D265 HydrophobicContact CG2-CB 4.02Å; V226-D265 VanDerWaalsContact CG2-CG 3.5Å; V226-D265 WeakPolarHBondContact CG2-OD2 2.99Å; V226-D265 PolarHBondContact N-OD2 3.13Å; G227-D265 VanDerWaalsContact CA-OD1 3.27Å; G227-D265 WeakPolarHBondContact CA-OD1 3.14Å; G227-D265 PolarHBondContact N-OD1 2.06Å; G227-D265 VanDerWaalsContact N-OD1 3.14Å; G227-D265 PolarHBondContact N-OD2 3.43Å; H228-D265 PolarHBondContact N-OD1 2.9Å; H228-D265 WeakPolarHBondContact O-CA 3.47Å; R230-D265 CarbonylContact C-O 3.59Å; R230-D265 VanDerWaalsContact C-O 3.32Å; R230-D265 VanDerWaalsContact CA-O 3.31Å; R230-D265 WeakPolarHBondContact CA-O 3.45Å; R230-D265 PolarHBondContact N-O 3.35Å; L231-D265 PolarHBondContact N-O 3.33Å; I232-D265 PolarHBondContact N-O 3.23Å; D245-D265 PolarHBondContact OD1-N 2.86Å; D245-D265 PolarHBondContact OD2-N 2.9Å; D245-D265 VanDerWaalsContact OD2-N 3.09Å; G247-D265 VanDerWaalsContact CA-CG 3.42Å; G247-D265 WeakPolarHBondContact CA-OD1 3.21Å; G247-D265 WeakPolarHBondContact CA-OD2 3.28Å
266V98.5Very high92.9Very high5 Ų558.6 Ų58.63%0.0330%0.3CS..BIsolated β-bridgetrans-98.7139.7-178.2-174.10000110.8I232 V243 D245 G264 F268 A271 I278I232-V266 HydrophobicContact CB-CG2 4.12Å; I232-V266 HydrophobicContact CD1-CG2 4.21Å; I232-V266 HydrophobicContact CG2-CG1 4.43Å; I232-V266 HydrophobicContact CG2-CG2 4.37Å; V243-V266 HydrophobicContact CG1-CG1 4.35Å; V243-V266 HydrophobicContact CG1-CG2 3.97Å; D245-V266 HydrophobicContact CB-CB 4.47Å; D245-V266 HydrophobicContact CB-CG2 4.02Å; D245-V266 WeakPolarHBondContact OD2-CB 3.32Å; D245-V266 PolarHBondContact OD2-N 3.01Å; G264-V266 VanDerWaalsContact C-N 3.26Å; V266-F268 PolarHBondContact O-N 2.99Å; V266-A271 HydrophobicContact CG1-CB 3.41Å; V266-A271 VanDerWaalsContact CG1-CB 3.41Å; V266-I278 HydrophobicContact CG1-CD1 4.2Å
267E97.5Very high93.6Very high41 Ų4158 Ų5819%0.19229%0.294CS..  trans-70.280.4165.1-71.5-175.8169.600110.6R230 I232 K233 E269 T270 A271R230-E267 HydrophobicContact CB-CG 3.67Å; R230-E267 HydrophobicContact CG-CG 4.04Å; I232-E267 PolarHBondContact O-N 3.15Å; K233-E267 HydrophobicContact CD-CG 4.27Å; K233-E267 VanDerWaalsContact CD-OE1 3.3Å; K233-E267 WeakPolarHBondContact CD-OE1 3.18Å; K233-E267 WeakPolarHBondContact CD-OE2 3.45Å; K233-E267 IonicContact NZ-OE1 2.67Å; K233-E267 PolarHBondContact NZ-OE1 2.95Å; E267-E269 PolarHBondContact O-N 2.92Å; E267-E269 VanDerWaalsContact O-N 3.1Å; E267-T270 WeakPolarHBondContact CB-OG1 3.41Å; E267-T270 PolarHBondContact O-N 3.43Å; E267-T270 VanDerWaalsContact O-N 3.15Å; E267-T270 PolarHBondContact O-OG1 3.37Å; E267-T270 PolarHBondContact OE2-OG1 2.87Å; E267-A271 VanDerWaalsContact O-CB 3.24Å; E267-A271 WeakPolarHBondContact O-CB 3.4Å; E267-A271 PolarHBondContact O-N 2.84Å
268F97.6Very high94.7Very high54 Ų5453 Ų5324%0.23726%0.261CS..Hα-helixtrans-49.4-41.8-173.8-176.8-89.1000113.3T6 V266 T270 A271 I272 I278 P280T6-F268 HydrophobicContact CG2-CE2 4.26Å; T6-F268 HydrophobicContact CG2-CZ 3.88Å; V266-F268 PolarHBondContact O-N 2.99Å; F268-T270 VanDerWaalsContact C-N 3.33Å; F268-T270 PolarHBondContact O-N 2.9Å; F268-A271 PolarHBondContact O-N 2.95Å; F268-I272 HydrophobicContact CE1-CD1 3.97Å; F268-I272 HydrophobicContact CZ-CD1 3.77Å; F268-I272 WeakPolarHBondContact O-CB 3.4Å; F268-I272 WeakPolarHBondContact O-CG2 3.37Å; F268-I272 PolarHBondContact O-N 3.41Å; F268-I272 VanDerWaalsContact O-N 3.09Å; F268-I278 HydrophobicContact CD2-CD1 3.8Å; F268-I278 HydrophobicContact CD2-CG1 3.9Å; F268-I278 HydrophobicContact CD2-CG2 4.36Å; F268-I278 HydrophobicContact CE2-CB 4.39Å; F268-I278 HydrophobicContact CE2-CD1 4.22Å; F268-I278 HydrophobicContact CE2-CG1 3.93Å; F268-I278 HydrophobicContact CE2-CG2 3.7Å; F268-I278 HydrophobicContact CZ-CG2 4.16Å; F268-P280 HydrophobicContact CE2-CB 4.09Å; F268-P280 HydrophobicContact CZ-CB 4.46Å
269E96.4Very high95.6Very high99 Ų9945.6 Ų45.646%0.46322%0.222SC..Hα-helixtrans-64.8-35.1-174-56.787.6175.400113.1R230 E267 I272R230-E269 IonicContact CZ-OE1 3.1Å; R230-E269 IonicContact CZ-OE2 3.23Å; R230-E269 IonicContact NH1-OE1 3.9Å; R230-E269 IonicContact NH1-OE2 2.73Å; R230-E269 PolarHBondContact NH1-OE2 3.26Å; R230-E269 IonicContact NH2-OE1 3.4Å; R230-E269 PolarHBondContact NH2-OE1 3.45Å; R230-E269 IonicContact NH2-OE2 2.84Å; R230-E269 PolarHBondContact NH2-OE2 3.43Å; E267-E269 PolarHBondContact O-N 2.92Å; E267-E269 VanDerWaalsContact O-N 3.1Å; E269-I272 WeakPolarHBondContact O-CG2 3.35Å
270T97.4Very high96.3Very high58 Ų5840.8 Ų40.836%0.35620%0.203SC..Hα-helixtrans-93.3-34.3177.955.70000111.4G234 E267 F268 I272 E273G234-T270 WeakPolarHBondContact CA-OG1 3.31Å; G234-T270 PolarHBondContact N-OG1 3.45Å; E267-T270 WeakPolarHBondContact CB-OG1 3.41Å; E267-T270 PolarHBondContact O-N 3.43Å; E267-T270 VanDerWaalsContact O-N 3.15Å; E267-T270 PolarHBondContact O-OG1 3.37Å; E267-T270 PolarHBondContact OE2-OG1 2.87Å; F268-T270 VanDerWaalsContact C-N 3.33Å; F268-T270 PolarHBondContact O-N 2.9Å; T270-I272 VanDerWaalsContact C-N 3.35Å; T270-I272 PolarHBondContact O-N 3.01Å; T270-E273 WeakPolarHBondContact O-CB 3.17Å; T270-E273 PolarHBondContact O-N 2.98Å
271A98.3Very high96.8Very high0 Ų038.8 Ų38.80%019%0.188CC..Hα-helixtrans-65.6-34.8-179.700000113.2G234 I237 V266 E267 F268 E273 N274 A275 I278G234-A271 VanDerWaalsContact CA-CA 3.47Å; I237-A271 HydrophobicContact CG1-CB 4.05Å; V266-A271 HydrophobicContact CG1-CB 3.41Å; V266-A271 VanDerWaalsContact CG1-CB 3.41Å; E267-A271 VanDerWaalsContact O-CB 3.24Å; E267-A271 WeakPolarHBondContact O-CB 3.4Å; E267-A271 PolarHBondContact O-N 2.84Å; F268-A271 PolarHBondContact O-N 2.95Å; A271-E273 PolarHBondContact O-N 2.91Å; A271-N274 PolarHBondContact O-N 3.1Å; A271-N274 VanDerWaalsContact O-N 3.14Å; A271-A275 WeakPolarHBondContact O-CB 3.46Å; A271-A275 PolarHBondContact O-N 3.49Å; A271-I278 HydrophobicContact CB-CD1 3.7Å
272I98.1Very high97.1Very high15 Ų1536.6 Ų36.68%0.07719%0.19CC..THydrogen-bonded Turntrans-64.9-16.1177.2-164.2163.5000113.2G4 T6 F268 E269 T270 N274 I278G4-I272 PolarHBondContact N-O 3.15Å; T6-I272 WeakPolarHBondContact OG1-CD1 3.33Å; F268-I272 HydrophobicContact CE1-CD1 3.97Å; F268-I272 HydrophobicContact CZ-CD1 3.77Å; F268-I272 WeakPolarHBondContact O-CB 3.4Å; F268-I272 WeakPolarHBondContact O-CG2 3.37Å; F268-I272 PolarHBondContact O-N 3.41Å; F268-I272 VanDerWaalsContact O-N 3.09Å; E269-I272 WeakPolarHBondContact O-CG2 3.35Å; T270-I272 VanDerWaalsContact C-N 3.35Å; T270-I272 PolarHBondContact O-N 3.01Å; I272-N274 VanDerWaalsContact C-N 3.34Å; I272-I278 HydrophobicContact CB-CG2 3.96Å; I272-I278 HydrophobicContact CD1-CG2 3.88Å; I272-I278 HydrophobicContact CG1-CG2 3.7Å
273E97.8Very high97.3Very high106 Ų10636 Ų3650%0.49519%0.191SC..THydrogen-bonded Turntrans-77.8-23.6177.3-54.7-170.7158.200112.2T270 A271T270-E273 WeakPolarHBondContact O-CB 3.17Å; T270-E273 PolarHBondContact O-N 2.98Å; A271-E273 PolarHBondContact O-N 2.91Å
274N98Very high97.5Very high51 Ų5135.7 Ų35.727%0.27319%0.189SC..THydrogen-bonded Turntrans-105.7-41.3177.9-66.2-54.7000112.6G234 I237 P239 G240 A271 I272G234-N274 PolarHBondContact O-ND2 3.28Å; I237-N274 HydrophobicContact CB-CB 4.13Å; I237-N274 HydrophobicContact CG2-CB 4.24Å; I237-N274 WeakPolarHBondContact O-CB 3.45Å; P239-N274 CarbonylContact C-O 3.57Å; P239-N274 VanDerWaalsContact CA-O 3.32Å; P239-N274 WeakPolarHBondContact CA-O 3.41Å; G240-N274 PolarHBondContact N-O 3.36Å; A271-N274 PolarHBondContact O-N 3.1Å; A271-N274 VanDerWaalsContact O-N 3.14Å; I272-N274 VanDerWaalsContact C-N 3.34Å
275A98.3Very high97.5Very high3 Ų336 Ų363%0.02519%0.19CC..  trans-65.1138.8179.600000111.1G4 I237 V243 A271 I278G4-A275 WeakPolarHBondContact CA-O 3.3Å; I237-A275 HydrophobicContact CG2-CB 4.12Å; V243-A275 HydrophobicContact CB-CB 4.45Å; V243-A275 HydrophobicContact CG2-CB 3.73Å; A271-A275 WeakPolarHBondContact O-CB 3.46Å; A271-A275 PolarHBondContact O-N 3.49Å; A275-I278 HydrophobicContact CB-CB 4.2Å
276K98.2Very high97.4Very high111 Ų11137.4 Ų37.448%0.48321%0.205SC..SBendtrans-75-35.7168.6-174.9168174.4-173.80111.2G4 I5 G240 A241G4-K276 WeakPolarHBondContact CA-O 2.8Å; I5-K276 PolarHBondContact N-O 2.74Å; G240-K276 VanDerWaalsContact O-CB 3.31Å; G240-K276 WeakPolarHBondContact O-CB 3.34Å; A241-K276 PolarHBondContact O-N 2.71Å
277W98.6Very high97.3Very high40 Ų4038.6 Ų38.615%0.15221%0.213CC..EExtended strand (participates in β ladder)trans-138.2140.2175.8-59.2-82.4000110.5I5 L7 V168 F170 A241 L242 V243I5-W277 WeakPolarHBondContact O-CA 3.38Å; L7-W277 HydrophobicContact CD1-CB 3.78Å; L7-W277 HydrophobicContact CD1-CG 4.45Å; L7-W277 HydrophobicContact CD2-CB 4.34Å; L7-W277 HydrophobicContact CD2-CG 4.4Å; L7-W277 HydrophobicContact CG-CB 3.99Å; V168-W277 HydrophobicContact CB-CD2 4.2Å; V168-W277 HydrophobicContact CB-CG 4.44Å; V168-W277 HydrophobicContact CB-CZ2 4.28Å; V168-W277 HydrophobicContact CG1-CD2 4.27Å; V168-W277 HydrophobicContact CG1-CG 3.98Å; V168-W277 HydrophobicContact CG2-CD2 4.35Å; V168-W277 HydrophobicContact CG2-CE3 4.47Å; F170-W277 HydrophobicContact CD2-CE3 4.47Å; F170-W277 AromaticContact CD2-CZ3 3.98Å; F170-W277 HydrophobicContact CD2-CZ3 3.98Å; F170-W277 HydrophobicContact CE2-CZ3 4.22Å; A241-W277 PolarHBondContact O-N 3.42Å; L242-W277 HydrophobicContact CB-CE3 4.33Å; L242-W277 HydrophobicContact CD1-CB 3.6Å; L242-W277 HydrophobicContact CD1-CG 4.47Å; V243-W277 PolarHBondContact N-O 3.2Å
278I98.7Very high97.3Very high0 Ų036.6 Ų36.60%020%0.204CC..EExtended strand (participates in β ladder)trans-146.8134.1179.2-176.9163.6000111.4I5 T6 L7 V243 V266 F268 A271 I272 A275I5-I278 PolarHBondContact O-N 3.08Å; T6-I278 CarbonylContact C-O 3.56Å; T6-I278 WeakPolarHBondContact CA-O 3.42Å; L7-I278 PolarHBondContact N-O 3.43Å; V243-I278 HydrophobicContact CB-CB 4.18Å; V243-I278 HydrophobicContact CB-CD1 4.17Å; V243-I278 HydrophobicContact CB-CG1 3.92Å; V243-I278 HydrophobicContact CG1-CD1 4.05Å; V243-I278 HydrophobicContact CG1-CG1 4.06Å; V243-I278 VanDerWaalsContact O-CA 3.3Å; V243-I278 WeakPolarHBondContact O-CA 3.36Å; V266-I278 HydrophobicContact CG1-CD1 4.2Å; F268-I278 HydrophobicContact CD2-CD1 3.8Å; F268-I278 HydrophobicContact CD2-CG1 3.9Å; F268-I278 HydrophobicContact CD2-CG2 4.36Å; F268-I278 HydrophobicContact CE2-CB 4.39Å; F268-I278 HydrophobicContact CE2-CD1 4.22Å; F268-I278 HydrophobicContact CE2-CG1 3.93Å; F268-I278 HydrophobicContact CE2-CG2 3.7Å; F268-I278 HydrophobicContact CZ-CG2 4.16Å; A271-I278 HydrophobicContact CB-CD1 3.7Å; I272-I278 HydrophobicContact CB-CG2 3.96Å; I272-I278 HydrophobicContact CD1-CG2 3.88Å; I272-I278 HydrophobicContact CG1-CG2 3.7Å; A275-I278 HydrophobicContact CB-CB 4.2Å
279T98.6Very high97.3Very high0 Ų034.3 Ų34.30%019%0.194CC..  trans-79.1138.6172.959.70000111.2L7 F164 V243 I244 D245L7-T279 HydrophobicContact CB-CG2 4.07Å; F164-T279 HydrophobicContact CD1-CG2 3.86Å; F164-T279 HydrophobicContact CD2-CG2 4.03Å; F164-T279 HydrophobicContact CE1-CG2 3.75Å; F164-T279 HydrophobicContact CE2-CG2 3.94Å; F164-T279 HydrophobicContact CG-CG2 3.99Å; F164-T279 HydrophobicContact CZ-CG2 3.79Å; V243-T279 PolarHBondContact O-N 3Å; I244-T279 HydrophobicContact CG1-CG2 4.43Å; I244-T279 HydrophobicContact CG2-CG2 4.22Å; D245-T279 PolarHBondContact N-OG1 3.45Å
280P97.5Very high97.4Very high24 Ų2430 Ų3016%0.15617%0.174CC..  trans-80.9156.3173.634.5-33.2000111.5T6 L7 F268 P282 G284T6-P280 HydrophobicContact CG2-CB 3.92Å; T6-P280 HydrophobicContact CG2-CG 3.74Å; L7-P280 WeakPolarHBondContact O-CD 3.03Å; F268-P280 HydrophobicContact CE2-CB 4.09Å; F268-P280 HydrophobicContact CZ-CB 4.46Å; P280-P282 CarbonylContact C-O 3.59Å; P280-G284 VanDerWaalsContact O-CA 3.25Å; P280-G284 WeakPolarHBondContact O-CA 3.39Å; P280-G284 PolarHBondContact O-N 2.9Å
281V96.6Very high97.4Very high29 Ų2927.3 Ų27.318%0.17616%0.157CC..THydrogen-bonded Turntrans-124.3117.8167.7-178.50000108.6D245 G247 Y248D245-V281 HydrophobicContact CB-CG2 3.85Å; G247-V281 WeakPolarHBondContact O-CG1 3.41Å; Y248-V281 HydrophobicContact CD2-CG1 3.9Å
282P93.7Very high97.4Very high81 Ų8127.6 Ų27.653%0.52616%0.159SC..THydrogen-bonded Turncis-78174.7-2.134.4-35.2000113Y248 C262 P280Y248-P282 HydrophobicContact CE2-CB 4.29Å; C262-P282 HydrophobicContact CB-CG 4.43Å; P280-P282 CarbonylContact C-O 3.59Å
283G95.1Very high97.4Very high27 Ų2727 Ų2728%0.27816%0.156SC..THydrogen-bonded Turntrans99.8-8.6170.800000115.6G9G9-G283 PolarHBondContact N-O 2.91Å
284G97.5Very high97.4Very high1 Ų122 Ų221%0.0113%0.132CC..SBendtrans-83-100.1171.400000112.6G9 P280 G286 P287G9-G284 WeakPolarHBondContact CA-O 3.27Å; P280-G284 VanDerWaalsContact O-CA 3.25Å; P280-G284 WeakPolarHBondContact O-CA 3.39Å; P280-G284 PolarHBondContact O-N 2.9Å; G284-G286 PolarHBondContact O-N 3.24Å; G284-P287 WeakPolarHBondContact O-CD 2.98Å
285V97.7Very high97.3Very high10 Ų1021.1 Ų21.16%0.06113%0.125CC..Hα-helixtrans-67.6-33.5-169.4178.90000114.3T157 A160 F164 I244 D245 C246 V288 S289T157-V285 HydrophobicContact CG2-CG1 3.56Å; A160-V285 HydrophobicContact CB-CG1 4.12Å; F164-V285 HydrophobicContact CE2-CG2 4.15Å; I244-V285 HydrophobicContact CG2-CG2 3.56Å; D245-V285 WeakPolarHBondContact O-CG2 2.93Å; C246-V285 HydrophobicContact CB-CG1 4.39Å; V285-V288 PolarHBondContact O-N 2.95Å; V285-S289 WeakPolarHBondContact O-CB 3.37Å; V285-S289 PolarHBondContact O-N 2.96Å; V285-S289 PolarHBondContact O-OG 3.26Å
286G95.1Very high97.2Very high31 Ų3121 Ų2132%0.3212%0.124SC..Hα-helixtrans-56.5-57.8-17600000114.6G284 V288 S289 I290G284-G286 PolarHBondContact O-N 3.24Å; G286-V288 VanDerWaalsContact C-N 3.25Å; G286-V288 PolarHBondContact O-N 3.05Å; G286-S289 WeakPolarHBondContact O-CB 3.06Å; G286-S289 PolarHBondContact O-N 3.23Å; G286-S289 VanDerWaalsContact O-N 3.11Å; G286-I290 PolarHBondContact O-N 3.46Å
287P97.2Very high97.2Very high29 Ų2915.7 Ų15.719%0.18810%0.101CC..Hα-helixtrans-55.1-38.3177.9-28.534.8000113.9A13 G284 A291A13-P287 HydrophobicContact CB-CB 4.17Å; A13-P287 WeakPolarHBondContact CB-O 3.44Å; G284-P287 WeakPolarHBondContact O-CD 2.98Å; P287-A291 PolarHBondContact O-N 3.5Å; P287-A291 VanDerWaalsContact O-N 3.09Å
288V98.3Very high97.2Very high0 Ų013.9 Ų13.90%09%0.094CC..Hα-helixtrans-70.9-41.3178.6-171.90000110.5G9 I12 A160 A163 F164 V285 G286 I290 A291 M292G9-V288 WeakPolarHBondContact O-CG2 3.45Å; I12-V288 HydrophobicContact CB-CG2 3.93Å; I12-V288 HydrophobicContact CG2-CG1 3.79Å; I12-V288 HydrophobicContact CG2-CG2 4.06Å; A160-V288 HydrophobicContact CB-CB 3.82Å; A160-V288 HydrophobicContact CB-CG1 3.64Å; A163-V288 HydrophobicContact CB-CG1 4.1Å; F164-V288 HydrophobicContact CE2-CB 4.35Å; F164-V288 HydrophobicContact CE2-CG2 3.75Å; F164-V288 HydrophobicContact CZ-CG2 3.79Å; V285-V288 PolarHBondContact O-N 2.95Å; G286-V288 VanDerWaalsContact C-N 3.25Å; G286-V288 PolarHBondContact O-N 3.05Å; V288-I290 VanDerWaalsContact C-N 3.3Å; V288-I290 PolarHBondContact O-N 3.39Å; V288-A291 WeakPolarHBondContact O-CA 3.46Å; V288-A291 WeakPolarHBondContact O-CB 3.29Å; V288-A291 PolarHBondContact O-N 3.35Å; V288-M292 HydrophobicContact CG1-CE 3.63Å; V288-M292 HydrophobicContact CG1-CG 4.41Å; V288-M292 VanDerWaalsContact O-CG 3.32Å; V288-M292 WeakPolarHBondContact O-CG 3.5Å; V288-M292 PolarHBondContact O-N 3.5Å
289S97.1Very high97Very high5 Ų514.3 Ų14.34%0.03510%0.097CC..Hα-helixtrans-59.6-40.9176.1-59.20000111.7V285 G286 M292 L293V285-S289 WeakPolarHBondContact O-CB 3.37Å; V285-S289 PolarHBondContact O-N 2.96Å; V285-S289 PolarHBondContact O-OG 3.26Å; G286-S289 WeakPolarHBondContact O-CB 3.06Å; G286-S289 PolarHBondContact O-N 3.23Å; G286-S289 VanDerWaalsContact O-N 3.11Å; S289-M292 PolarHBondContact O-N 3.41Å; S289-L293 PolarHBondContact O-N 3.19Å
290I97.6Very high96.8Very high10 Ų1014.6 Ų14.65%0.05110%0.099CC..Hα-helixtrans-61.8-45.5172.6-66.6176.6000110.5Y51 Q54 K55 F58 G286 V288 M292 L293 F294Y51-I290 HydrophobicContact CD2-CD1 4.19Å; Y51-I290 HydrophobicContact CE2-CD1 3.84Å; Y51-I290 HydrophobicContact CE2-CG1 3.85Å; Q54-I290 HydrophobicContact CB-CD1 3.52Å; K55-I290 HydrophobicContact CG-CG2 4.5Å; F58-I290 HydrophobicContact CB-CG2 3.87Å; F58-I290 HydrophobicContact CD2-CG2 4.15Å; F58-I290 HydrophobicContact CG-CG2 3.97Å; G286-I290 PolarHBondContact O-N 3.46Å; V288-I290 VanDerWaalsContact C-N 3.3Å; V288-I290 PolarHBondContact O-N 3.39Å; I290-M292 VanDerWaalsContact C-N 3.29Å; I290-M292 PolarHBondContact O-N 3.02Å; I290-L293 WeakPolarHBondContact O-CB 3.45Å; I290-L293 PolarHBondContact O-N 3.22Å; I290-F294 HydrophobicContact CG2-CD2 3.89Å; I290-F294 HydrophobicContact CG2-CE2 3.7Å; I290-F294 WeakPolarHBondContact O-CD2 3.36Å; I290-F294 PolarHBondContact O-N 2.97Å
291A98.2Very high96.8Very high0 Ų013.5 Ų13.50%09%0.091CC..Hα-helixtrans-61.4-38.4177.600000112.4A13 V16 F58 P287 V288 F294 R295A13-A291 HydrophobicContact CB-CB 3.93Å; V16-A291 HydrophobicContact CB-CB 3.97Å; V16-A291 HydrophobicContact CG1-CB 3.87Å; F58-A291 HydrophobicContact CE2-CB 3.65Å; F58-A291 HydrophobicContact CZ-CB 3.56Å; P287-A291 PolarHBondContact O-N 3.5Å; P287-A291 VanDerWaalsContact O-N 3.09Å; V288-A291 WeakPolarHBondContact O-CA 3.46Å; V288-A291 WeakPolarHBondContact O-CB 3.29Å; V288-A291 PolarHBondContact O-N 3.35Å; A291-F294 PolarHBondContact O-N 2.71Å; A291-R295 PolarHBondContact O-N 2.77Å
292M97.6Very high96.7Very high7 Ų713 Ų133%0.0349%0.087CC..Hα-helixtrans-66.9-36.7176.4-63.1-53.3163.200112.5V16 C156 A159 A163 V288 S289 I290 F294 R295 N296V16-M292 HydrophobicContact CG2-CE 3.84Å; C156-M292 HydrophobicContact CB-CB 4.15Å; A159-M292 HydrophobicContact CB-CB 4.28Å; A159-M292 HydrophobicContact CB-CG 3.85Å; A159-M292 HydrophobicContact CB-SD 4.16Å; A163-M292 HydrophobicContact CB-CE 3.64Å; V288-M292 HydrophobicContact CG1-CE 3.63Å; V288-M292 HydrophobicContact CG1-CG 4.41Å; V288-M292 VanDerWaalsContact O-CG 3.32Å; V288-M292 WeakPolarHBondContact O-CG 3.5Å; V288-M292 PolarHBondContact O-N 3.5Å; S289-M292 PolarHBondContact O-N 3.41Å; I290-M292 VanDerWaalsContact C-N 3.29Å; I290-M292 PolarHBondContact O-N 3.02Å; M292-F294 VanDerWaalsContact C-N 3.3Å; M292-F294 PolarHBondContact O-N 3.45Å; M292-R295 WeakPolarHBondContact O-CB 3.28Å; M292-R295 PolarHBondContact O-N 3.02Å; M292-R295 PolarHBondContact SD-NH1 3.19Å; M292-R295 VanDerWaalsContact SD-NH1 3.43Å; M292-N296 WeakPolarHBondContact O-CB 3.23Å; M292-N296 VanDerWaalsContact O-CG 3.25Å; M292-N296 PolarHBondContact O-N 3Å; M292-N296 PolarHBondContact O-OD1 3.08Å
293L97.9Very high96.6Very high2 Ų210.1 Ų10.11%0.017%0.066CC..Hα-helixtrans-57.6-44.9173.4178.468.6000111.7L37 K55 T97 V123 E124 C156 S289 I290 N296 T297L37-L293 HydrophobicContact CD2-CD2 3.82Å; L37-L293 HydrophobicContact CD2-CG 4Å; K55-L293 HydrophobicContact CD-CD2 4.03Å; K55-L293 HydrophobicContact CG-CD2 4.24Å; T97-L293 HydrophobicContact CG2-CD2 4.47Å; V123-L293 HydrophobicContact CB-CD1 4.14Å; V123-L293 HydrophobicContact CG2-CD1 3.49Å; V123-L293 VanDerWaalsContact CG2-CD1 3.49Å; V123-L293 HydrophobicContact CG2-CG 4.49Å; E124-L293 HydrophobicContact CG-CD1 3.89Å; C156-L293 WeakPolarHBondContact SG-CA 3.37Å; C156-L293 PolarHBondContact SG-N 3.24Å; C156-L293 VanDerWaalsContact SG-N 3.44Å; S289-L293 PolarHBondContact O-N 3.19Å; I290-L293 WeakPolarHBondContact O-CB 3.45Å; I290-L293 PolarHBondContact O-N 3.22Å; L293-N296 PolarHBondContact O-N 2.93Å; L293-T297 PolarHBondContact O-N 3.14Å; L293-T297 PolarHBondContact O-OG1 2.96Å
294F98.3Very high96.6Very high0 Ų012.1 Ų12.10%08%0.076CC..Hα-helixtrans-74.5-35.2178.9-76.4-66.8000113I20 L37 K55 F58 A59 I64 L66 I290 A291 M292 N296 T297 V298I20-F294 HydrophobicContact CD1-CB 3.86Å; L37-F294 HydrophobicContact CB-CE1 4.28Å; L37-F294 HydrophobicContact CD2-CD1 4.24Å; L37-F294 HydrophobicContact CD2-CE1 3.61Å; L37-F294 HydrophobicContact CD2-CZ 3.9Å; K55-F294 HydrophobicContact CB-CE2 4.25Å; K55-F294 HydrophobicContact CB-CZ 4.15Å; K55-F294 WeakPolarHBondContact O-CE2 3.34Å; K55-F294 WeakPolarHBondContact O-CZ 3.47Å; F58-F294 HydrophobicContact CB-CD2 4.08Å; F58-F294 HydrophobicContact CB-CE2 3.81Å; F58-F294 HydrophobicContact CD1-CB 3.94Å; F58-F294 AromaticContact CD1-CD2 3.13Å; F58-F294 HydrophobicContact CD1-CD2 3.13Å; F58-F294 AromaticContact CD1-CE2 3.74Å; F58-F294 HydrophobicContact CD1-CE2 3.74Å; F58-F294 AromaticContact CD1-CG 3.63Å; F58-F294 HydrophobicContact CD1-CG 3.63Å; F58-F294 HydrophobicContact CE1-CB 3.7Å; F58-F294 AromaticContact CE1-CD2 3.74Å; F58-F294 HydrophobicContact CE1-CD2 3.74Å; F58-F294 AromaticContact CE1-CG 3.94Å; F58-F294 HydrophobicContact CE1-CG 3.94Å; F58-F294 AromaticContact CG-CD2 3.79Å; F58-F294 HydrophobicContact CG-CD2 3.79Å; F58-F294 HydrophobicContact CG-CE2 4.06Å; A59-F294 HydrophobicContact CB-CD1 4.47Å; A59-F294 HydrophobicContact CB-CE1 3.55Å; A59-F294 HydrophobicContact CB-CZ 3.63Å; I64-F294 HydrophobicContact CB-CD1 4.19Å; I64-F294 HydrophobicContact CD1-CB 3.65Å; I64-F294 HydrophobicContact CD1-CD1 3.55Å; I64-F294 HydrophobicContact CD1-CG 3.96Å; I64-F294 HydrophobicContact CG1-CD1 4.48Å; I64-F294 HydrophobicContact CG2-CD1 3.95Å; I64-F294 HydrophobicContact CG2-CE1 4.18Å; L66-F294 HydrophobicContact CD1-CE1 4.21Å; L66-F294 HydrophobicContact CD1-CZ 3.82Å; I290-F294 HydrophobicContact CG2-CD2 3.89Å; I290-F294 HydrophobicContact CG2-CE2 3.7Å; I290-F294 WeakPolarHBondContact O-CD2 3.36Å; I290-F294 PolarHBondContact O-N 2.97Å; A291-F294 PolarHBondContact O-N 2.71Å; M292-F294 VanDerWaalsContact C-N 3.3Å; M292-F294 PolarHBondContact O-N 3.45Å; F294-N296 VanDerWaalsContact C-N 3.31Å; F294-N296 PolarHBondContact O-N 3.42Å; F294-T297 WeakPolarHBondContact O-CB 3.42Å; F294-T297 PolarHBondContact O-N 2.95Å; F294-V298 WeakPolarHBondContact O-CG2 3.46Å; F294-V298 PolarHBondContact O-N 3.02Å
295R96.6Very high96.4Very high34 Ų3414.1 Ų14.113%0.1289%0.087CC..Hα-helixtrans-56.9-47.9168.7-178.6-157.370.4-178.51110.4V16 I20 A291 M292 T297 V298 N299V16-R295 HydrophobicContact CG1-CB 4.15Å; I20-R295 HydrophobicContact CD1-CB 4.38Å; A291-R295 PolarHBondContact O-N 2.77Å; M292-R295 WeakPolarHBondContact O-CB 3.28Å; M292-R295 PolarHBondContact O-N 3.02Å; M292-R295 PolarHBondContact SD-NH1 3.19Å; M292-R295 VanDerWaalsContact SD-NH1 3.43Å; R295-T297 VanDerWaalsContact C-N 3.32Å; R295-T297 PolarHBondContact O-N 2.87Å; R295-V298 PolarHBondContact O-N 3.38Å; R295-N299 PolarHBondContact O-N 3.02Å; R295-N299 PolarHBondContact O-OD1 3Å
296N96Very high96Very high0 Ų016.7 Ų16.70%012%0.116CC..Hα-helixtrans-63.4-38.1177.9-70.80.1000111.2V123 H153 I154 M292 L293 F294 V298 N299 S300V123-N296 HydrophobicContact CB-CB 3.87Å; V123-N296 HydrophobicContact CG1-CB 4.25Å; V123-N296 VanDerWaalsContact O-CB 3.26Å; V123-N296 WeakPolarHBondContact O-CB 3.46Å; V123-N296 PolarHBondContact O-ND2 2.9Å; H153-N296 PolarHBondContact CE1-O 2.94Å; H153-N296 WeakPolarHBondContact ND1-CB 3.45Å; I154-N296 PolarHBondContact O-ND2 2.96Å; I154-N296 VanDerWaalsContact O-ND2 3.13Å; M292-N296 WeakPolarHBondContact O-CB 3.23Å; M292-N296 VanDerWaalsContact O-CG 3.25Å; M292-N296 PolarHBondContact O-N 3Å; M292-N296 PolarHBondContact O-OD1 3.08Å; L293-N296 PolarHBondContact O-N 2.93Å; F294-N296 VanDerWaalsContact C-N 3.31Å; F294-N296 PolarHBondContact O-N 3.42Å; N296-V298 PolarHBondContact O-N 3.22Å; N296-N299 WeakPolarHBondContact O-CB 3.2Å; N296-N299 PolarHBondContact O-N 3.06Å; N296-N299 VanDerWaalsContact O-N 3.16Å; N296-S300 PolarHBondContact O-N 3.14Å; N296-S300 PolarHBondContact O-OG 3.47Å
297T97.9Very high95.6Very high0 Ų017.3 Ų17.30%011%0.112CC..Hα-helixtrans-60.8-43173.6-55.60000112.6P35 L37 I64 H94 L293 F294 R295 N299 S300 A301P35-T297 HydrophobicContact CB-CG2 4.49Å; L37-T297 HydrophobicContact CB-CG2 4.01Å; I64-T297 HydrophobicContact CG2-CG2 4.31Å; H94-T297 HydrophobicContact CB-CG2 4.41Å; L293-T297 PolarHBondContact O-N 3.14Å; L293-T297 PolarHBondContact O-OG1 2.96Å; F294-T297 WeakPolarHBondContact O-CB 3.42Å; F294-T297 PolarHBondContact O-N 2.95Å; R295-T297 VanDerWaalsContact C-N 3.32Å; R295-T297 PolarHBondContact O-N 2.87Å; T297-N299 VanDerWaalsContact C-N 3.33Å; T297-S300 PolarHBondContact O-N 3.04Å; T297-A301 PolarHBondContact O-N 3.13Å; T297-A301 VanDerWaalsContact O-N 3.08Å
298V97.1Very high94.5Very high1 Ų120.9 Ų20.91%0.00613%0.129CC..Hα-helixtrans-66.5-37.8174.8171.80000111I20 D23 V24 L27 P35 I64 F294 R295 N296 A301 K302I20-V298 HydrophobicContact CG1-CG2 4.41Å; I20-V298 HydrophobicContact CG2-CG2 4.09Å; D23-V298 HydrophobicContact CB-CG1 3.55Å; V24-V298 HydrophobicContact CG2-CG2 4.1Å; L27-V298 HydrophobicContact CD1-CG1 4.3Å; P35-V298 HydrophobicContact CB-CG2 4.26Å; P35-V298 HydrophobicContact CG-CG2 4.23Å; I64-V298 HydrophobicContact CD1-CG2 3.69Å; I64-V298 HydrophobicContact CG1-CG2 4.24Å; F294-V298 WeakPolarHBondContact O-CG2 3.46Å; F294-V298 PolarHBondContact O-N 3.02Å; R295-V298 PolarHBondContact O-N 3.38Å; N296-V298 PolarHBondContact O-N 3.22Å; V298-A301 PolarHBondContact O-N 3.18Å; V298-K302 HydrophobicContact CG1-CD 4.48Å; V298-K302 WeakPolarHBondContact O-CG 3.44Å; V298-K302 PolarHBondContact O-N 3.31Å
299N94.4Very high92.9Very high10 Ų1022.9 Ų22.95%0.05314%0.14CC..Hα-helixtrans-60.7-46.5175.1-73.8-8.2000111.4R295 N296 T297 A301 K302 W303 N309R295-N299 PolarHBondContact O-N 3.02Å; R295-N299 PolarHBondContact O-OD1 3Å; N296-N299 WeakPolarHBondContact O-CB 3.2Å; N296-N299 PolarHBondContact O-N 3.06Å; N296-N299 VanDerWaalsContact O-N 3.16Å; T297-N299 VanDerWaalsContact C-N 3.33Å; N299-A301 VanDerWaalsContact C-N 3.28Å; N299-A301 PolarHBondContact O-N 3.49Å; N299-K302 WeakPolarHBondContact O-CB 3.44Å; N299-K302 PolarHBondContact O-N 3.17Å; N299-K302 VanDerWaalsContact O-N 3.1Å; N299-W303 HydrophobicContact CB-CZ2 4.2Å; N299-W303 PolarHBondContact O-N 3.42Å; N299-N309 WeakPolarHBondContact CA-ND2 3.4Å; N299-N309 PolarHBondContact OD1-ND2 3.24Å; N299-N309 VanDerWaalsContact OD1-ND2 3.15Å
300S95.8Very high90.9Very high6 Ų625.8 Ų25.84%0.04216%0.16CC..Hα-helixtrans-59.3-37.2174.2-65.70000113.1H94 L120 H153 N296 T297 W303 S304H94-S300 WeakPolarHBondContact O-CB 3.42Å; H94-S300 PolarHBondContact O-OG 3.37Å; L120-S300 WeakPolarHBondContact O-CB 3.33Å; L120-S300 PolarHBondContact O-OG 3.1Å; H153-S300 PolarHBondContact CE1-OG 3.19Å; H153-S300 PolarHBondContact NE2-OG 3.23Å; N296-S300 PolarHBondContact O-N 3.14Å; N296-S300 PolarHBondContact O-OG 3.47Å; T297-S300 PolarHBondContact O-N 3.04Å; S300-W303 PolarHBondContact O-N 3.35Å; S300-S304 PolarHBondContact O-N 2.85Å; S300-S304 VanDerWaalsContact O-N 3.1Å
301A96.8Very high88.9Confident0 Ų026.4 Ų26.40%016%0.163CC..Hα-helixtrans-70-29.3175.300000113.7L27 I33 P35 H94 T297 V298 N299 S304L27-A301 HydrophobicContact CD1-CB 3.87Å; I33-A301 HydrophobicContact CG2-CB 4.3Å; P35-A301 HydrophobicContact CB-CB 3.88Å; P35-A301 HydrophobicContact CG-CB 3.75Å; H94-A301 HydrophobicContact CB-CB 3.96Å; H94-A301 VanDerWaalsContact CD2-CA 3.42Å; H94-A301 WeakPolarHBondContact CD2-CA 3.37Å; T297-A301 PolarHBondContact O-N 3.13Å; T297-A301 VanDerWaalsContact O-N 3.08Å; V298-A301 PolarHBondContact O-N 3.18Å; N299-A301 VanDerWaalsContact C-N 3.28Å; N299-A301 PolarHBondContact O-N 3.49Å; A301-S304 PolarHBondContact O-OG 2.91Å
302K94.3Very high86.5Confident18 Ų1827.1 Ų27.18%0.07817%0.168CC..Hα-helixtrans-70.1-42.5170.5-73.2174.4172.2177.90111D23 L27 V298 N299 S304 V305 G306 L307 N309D23-K302 VanDerWaalsContact CG-CE 3.5Å; D23-K302 WeakPolarHBondContact OD1-CE 3.21Å; D23-K302 IonicContact OD1-NZ 2.74Å; D23-K302 PolarHBondContact OD1-NZ 3.1Å; D23-K302 IonicContact OD2-NZ 3.84Å; D23-K302 PolarHBondContact OD2-NZ 3.37Å; L27-K302 HydrophobicContact CD1-CG 4.05Å; L27-K302 HydrophobicContact CD2-CG 3.91Å; L27-K302 HydrophobicContact CG-CG 4.25Å; V298-K302 HydrophobicContact CG1-CD 4.48Å; V298-K302 WeakPolarHBondContact O-CG 3.44Å; V298-K302 PolarHBondContact O-N 3.31Å; N299-K302 WeakPolarHBondContact O-CB 3.44Å; N299-K302 PolarHBondContact O-N 3.17Å; N299-K302 VanDerWaalsContact O-N 3.1Å; K302-S304 VanDerWaalsContact C-N 3.3Å; K302-S304 PolarHBondContact O-N 2.77Å; K302-V305 WeakPolarHBondContact O-CG2 3.39Å; K302-V305 PolarHBondContact O-N 3.42Å; K302-G306 PolarHBondContact O-N 2.96Å; K302-L307 CarbonylContact C-O 3.6Å; K302-L307 HydrophobicContact CB-CB 3.98Å; K302-L307 HydrophobicContact CB-CD1 4.44Å; K302-L307 HydrophobicContact CG-CD1 4.33Å; K302-L307 WeakPolarHBondContact O-CB 3.43Å; K302-L307 PolarHBondContact O-N 3.05Å; K302-N309 WeakPolarHBondContact CD-ND2 3.39Å; K302-N309 WeakPolarHBondContact CD-OD1 3.32Å; K302-N309 PolarHBondContact NZ-OD1 3.27Å
303W93.1Very high83.9Confident21 Ų2130 Ų308%0.0819%0.189CC..Hα-helixtrans-62.3-35.7178.6-58.9-25.1000112.8L120 H151 H153 N299 S300 V305 G306L120-W303 HydrophobicContact CD2-CE3 3.88Å; L120-W303 HydrophobicContact CD2-CZ3 4.23Å; H151-W303 VanDerWaalsContact C-CH2 3.5Å; H151-W303 HydrophobicContact CB-CD2 3.64Å; H151-W303 HydrophobicContact CB-CE3 3.69Å; H151-W303 HydrophobicContact CB-CG 4.24Å; H151-W303 HydrophobicContact CB-CH2 3.9Å; H151-W303 HydrophobicContact CB-CZ2 3.88Å; H151-W303 HydrophobicContact CB-CZ3 3.8Å; H151-W303 AromaticContact CD2-CD1 3.42Å; H151-W303 VanDerWaalsContact CD2-CD1 3.42Å; H151-W303 AromaticContact CD2-CD2 3.96Å; H151-W303 AromaticContact CD2-CE2 3.76Å; H151-W303 AromaticContact CD2-CG 3.77Å; H151-W303 AromaticContact CD2-NE1 3.41Å; H151-W303 PolarHBondContact CD2-NE1 3.46Å; H151-W303 AromaticContact CE1-CD1 3.81Å; H151-W303 AromaticContact CE1-CG 3.75Å; H151-W303 AromaticContact CG-CD1 3.74Å; H151-W303 AromaticContact CG-CD2 3.55Å; H151-W303 AromaticContact CG-CE2 3.71Å; H151-W303 AromaticContact CG-CG 3.6Å; H151-W303 AromaticContact CG-NE1 3.82Å; H151-W303 AromaticContact ND1-CD1 3.99Å; H151-W303 AromaticContact ND1-CD2 3.92Å; H151-W303 AromaticContact ND1-CG 3.6Å; H151-W303 AromaticContact NE2-CD1 3.46Å; H151-W303 AromaticContact NE2-CG 3.85Å; H151-W303 AromaticContact NE2-NE1 3.92Å; H153-W303 AromaticContact CD2-CH2 3.86Å; H153-W303 AromaticContact CD2-CZ3 3.73Å; H153-W303 AromaticContact CE1-CH2 3.15Å; H153-W303 WeakPolarHBondContact CE1-CH2 3.22Å; H153-W303 AromaticContact CE1-CZ2 3.98Å; H153-W303 AromaticContact CE1-CZ3 3.3Å; H153-W303 WeakPolarHBondContact CE1-CZ3 3.44Å; H153-W303 AromaticContact CG-CH2 3.87Å; H153-W303 AromaticContact ND1-CH2 3.47Å; H153-W303 WeakPolarHBondContact ND1-CH2 3.33Å; H153-W303 AromaticContact NE2-CH2 3.45Å; H153-W303 WeakPolarHBondContact NE2-CH2 3.48Å; H153-W303 AromaticContact NE2-CZ3 3.13Å; H153-W303 WeakPolarHBondContact NE2-CZ3 3.23Å; N299-W303 HydrophobicContact CB-CZ2 4.2Å; N299-W303 PolarHBondContact O-N 3.42Å; S300-W303 PolarHBondContact O-N 3.35Å; W303-V305 PolarHBondContact O-N 2.83Å; W303-V305 VanDerWaalsContact O-N 3.13Å; W303-G306 PolarHBondContact O-N 3.39Å; W303-G306 VanDerWaalsContact O-N 3.1Å
304S94.4Very high81.3Confident70 Ų7032.3 Ų32.349%0.4921%0.205SC..THydrogen-bonded Turntrans-65.3-14.2178.466.60000114.3S300 A301 K302S300-S304 PolarHBondContact O-N 2.85Å; S300-S304 VanDerWaalsContact O-N 3.1Å; A301-S304 PolarHBondContact O-OG 2.91Å; K302-S304 VanDerWaalsContact C-N 3.3Å; K302-S304 PolarHBondContact O-N 2.77Å
305V93.2Very high78.5Confident43 Ų4334 Ų3426%0.26122%0.217SC..THydrogen-bonded Turntrans-115.217.9175.5-670000113.2L27 F31 I33 K302 W303 L307L27-V305 HydrophobicContact CD2-CG2 4.06Å; F31-V305 HydrophobicContact CB-CG1 4.04Å; F31-V305 HydrophobicContact CD1-CB 3.62Å; F31-V305 HydrophobicContact CD1-CG1 3.92Å; F31-V305 HydrophobicContact CD1-CG2 3.89Å; F31-V305 HydrophobicContact CD2-CG2 4.32Å; F31-V305 HydrophobicContact CE1-CB 4.02Å; F31-V305 HydrophobicContact CE1-CG2 4.15Å; F31-V305 HydrophobicContact CG-CB 4.1Å; F31-V305 HydrophobicContact CG-CG1 4.15Å; F31-V305 HydrophobicContact CG-CG2 3.97Å; I33-V305 HydrophobicContact CD1-CG1 3.18Å; I33-V305 HydrophobicContact CG1-CG1 4.15Å; K302-V305 WeakPolarHBondContact O-CG2 3.39Å; K302-V305 PolarHBondContact O-N 3.42Å; W303-V305 PolarHBondContact O-N 2.83Å; W303-V305 VanDerWaalsContact O-N 3.13Å; V305-L307 VanDerWaalsContact C-N 3.28Å; V305-L307 HydrophobicContact CG2-CD1 3.89Å; V305-L307 HydrophobicContact CG2-CG 3.99Å; V305-L307 PolarHBondContact O-N 3.49Å
306G89.1Confident75.8Confident64 Ų6438 Ų3866%0.6624%0.24SC*.THydrogen-bonded Turntrans75.911.2175.500000114.8K302 W303K302-G306 PolarHBondContact O-N 2.96Å; W303-G306 PolarHBondContact O-N 3.39Å; W303-G306 VanDerWaalsContact O-N 3.1Å
307L86.5Confident73.2Confident43 Ų4340.9 Ų40.923%0.22525%0.252CS..  trans-82.9126.2173.4-62.9172.8000110Y26 L27 F31 K302 V305Y26-L307 HydrophobicContact CE1-CD1 3.8Å; L27-L307 HydrophobicContact CD2-CD1 4.16Å; F31-L307 HydrophobicContact CD2-CD1 4.36Å; F31-L307 HydrophobicContact CE2-CD1 3.68Å; F31-L307 HydrophobicContact CE2-CD2 4.5Å; F31-L307 HydrophobicContact CE2-CG 4.37Å; F31-L307 HydrophobicContact CZ-CD1 3.89Å; F31-L307 HydrophobicContact CZ-CD2 3.99Å; F31-L307 HydrophobicContact CZ-CG 4.07Å; K302-L307 CarbonylContact C-O 3.6Å; K302-L307 HydrophobicContact CB-CB 3.98Å; K302-L307 HydrophobicContact CB-CD1 4.44Å; K302-L307 HydrophobicContact CG-CD1 4.33Å; K302-L307 WeakPolarHBondContact O-CB 3.43Å; K302-L307 PolarHBondContact O-N 3.05Å; V305-L307 VanDerWaalsContact C-N 3.28Å; V305-L307 HydrophobicContact CG2-CD1 3.89Å; V305-L307 HydrophobicContact CG2-CG 3.99Å; V305-L307 PolarHBondContact O-N 3.49Å
308N74.7Confident70.3Confident105 Ų10543.4 Ų43.456%0.56127%0.27SS*.  trans-84.4151.2169-73.7-23.5000110.9H151H151-N308 PolarHBondContact NE2-OD1 3.35Å
309N63.5Low67.5Low41 Ų4150.8 Ų50.822%0.21930%0.304CS..  trans-113.2156.7-179.9-85.9-48.5000112.3N299 K302 I311N299-N309 WeakPolarHBondContact CA-ND2 3.4Å; N299-N309 PolarHBondContact OD1-ND2 3.24Å; N299-N309 VanDerWaalsContact OD1-ND2 3.15Å; K302-N309 WeakPolarHBondContact CD-ND2 3.39Å; K302-N309 WeakPolarHBondContact CD-OD1 3.32Å; K302-N309 PolarHBondContact NZ-OD1 3.27Å; N309-I311 PolarHBondContact O-N 3.41Å
310S55.6Low64.9Low66 Ų6656.5 Ų56.546%0.46233%0.334SS..  trans-74.8112.4150.842.20000108C312S310-C312 PolarHBondContact O-N 3.41Å
311I55.4Low62.5Low24 Ų2460.1 Ų60.112%0.12335%0.354CS..SBendtrans-50-33.7-178.7-68.1165.2000111.6I139 V147 I154 N309I139-I311 HydrophobicContact CD1-CG2 4.46Å; I139-I311 VanDerWaalsContact O-CD1 3.31Å; I139-I311 WeakPolarHBondContact O-CD1 3.4Å; I139-I311 WeakPolarHBondContact O-CG2 3.21Å; V147-I311 HydrophobicContact CG1-CD1 3.26Å; I154-I311 HydrophobicContact CD1-CG2 3.9Å; I154-I311 HydrophobicContact CG1-CG2 3.91Å; N309-I311 PolarHBondContact O-N 3.41Å
312C48.8Very low60Low15 Ų1562.6 Ų62.610%0.10137%0.366CS..  trans-144.6122.9159.3-1490000106.9L140 S310 C314L140-C312 HydrophobicContact CD2-CB 4.03Å; S310-C312 PolarHBondContact O-N 3.41Å; C312-C314 HydrophobicContact CB-CB 3.99Å; C312-C314 WeakPolarHBondContact CB-SG 3.22Å; C312-C314 PolarHBondContact O-N 2.83Å; C312-C314 WeakPolarHBondContact SG-CB 3.43Å; C312-C314 CovalentContact SG-SG 2.06Å; C312-C314 PolarHBondContact SG-SG 2.63Å
313S43.5Very low57.4Low68 Ų6866.9 Ų66.948%0.47639%0.389SS..THydrogen-bonded Turntrans-7121167.3660000112.8K19K19-S313 PolarHBondContact NZ-OG 3.42Å
314C42.4Very low55.2Low49 Ų4970 Ų7033%0.33141%0.414SS..THydrogen-bonded Turntrans-108.30.7-167-20.30000111.4R166 C312R166-C314 PolarHBondContact NE-O 3.15Å; C312-C314 HydrophobicContact CB-CB 3.99Å; C312-C314 WeakPolarHBondContact CB-SG 3.22Å; C312-C314 PolarHBondContact O-N 2.83Å; C312-C314 WeakPolarHBondContact SG-CB 3.43Å; C312-C314 CovalentContact SG-SG 2.06Å; C312-C314 PolarHBondContact SG-SG 2.63Å
315S40Very low52.8Low37 Ų3770.9 Ų70.926%0.25941%0.409SS..  trans-74.6125.7-179.156.10000110.8Y317S315-Y317 PolarHBondContact O-N 2.9Å
316N39.8Very low50.4Low116 Ų11673.5 Ų73.562%0.6242%0.419SS*.  trans-84.617174-91.46.7000112.9R166 S318R166-N316 PolarHBondContact NH2-ND2 3.37Å; R166-N316 PolarHBondContact NH2-OD1 3.28Å; N316-S318 PolarHBondContact O-N 2.94Å
317Y40.3Very low48Very low61 Ų6176.4 Ų76.424%0.23942%0.415CS..  trans-59.7104.1-178.4-78-68000110.1D138 L140 C141 P142 S315D138-Y317 PolarHBondContact OD2-OH 2.93Å; L140-Y317 WeakPolarHBondContact O-CE2 3.44Å; C141-Y317 HydrophobicContact CB-CE2 4.25Å; P142-Y317 HydrophobicContact CG-CD2 4.48Å; S315-Y317 PolarHBondContact O-N 2.9Å
318S38.4Very low46.1Very low54 Ų5476.9 Ų76.938%0.37843%0.425SS..  trans-82.6150.716172.90000108N316 N320 D321N316-S318 PolarHBondContact O-N 2.94Å; S318-N320 PolarHBondContact O-N 3.27Å; S318-D321 PolarHBondContact N-OD2 3.03Å; S318-D321 PolarHBondContact O-N 3.21Å; S318-D321 PolarHBondContact OG-OD2 3.25Å
319E37Very low44.5Very low155 Ų15577.6 Ų77.672%0.72443%0.429SS*.Hα-helixtrans-53.1-24.1177-96174.8164.100113.3I322E319-I322 HydrophobicContact CG-CD1 4.34Å; E319-I322 WeakPolarHBondContact O-CB 3.42Å; E319-I322 VanDerWaalsContact O-CG1 3.3Å; E319-I322 WeakPolarHBondContact O-CG1 3.44Å
320N39.8Very low43.6Very low130 Ų13084.4 Ų84.470%0.69545%0.451SS*.Hα-helixtrans-83-24.5-175.9-69.3-27.5000114.5S318 I322S318-N320 PolarHBondContact O-N 3.27Å; N320-I322 PolarHBondContact O-N 3.39Å
321D45.3Very low43.1Very low83 Ų8389.5 Ų89.544%0.44447%0.465SS..Hα-helixtrans-65.5-20.9173.9-63.3-53000111.1S318 S324S318-D321 PolarHBondContact N-OD2 3.03Å; S318-D321 PolarHBondContact O-N 3.21Å; S318-D321 PolarHBondContact OG-OD2 3.25Å; D321-S324 PolarHBondContact O-OG 3.26Å
322I44.9Very low42.6Very low51 Ų5194.2 Ų94.226%0.26250%0.495SS..Hα-helixtrans-73.9-40.4-171.3-52.1-177.5000112.8Y143 E319 N320 S324 K325 E326Y143-I322 HydrophobicContact CD2-CD1 4.08Å; Y143-I322 HydrophobicContact CE2-CD1 4.19Å; E319-I322 HydrophobicContact CG-CD1 4.34Å; E319-I322 WeakPolarHBondContact O-CB 3.42Å; E319-I322 VanDerWaalsContact O-CG1 3.3Å; E319-I322 WeakPolarHBondContact O-CG1 3.44Å; N320-I322 PolarHBondContact O-N 3.39Å; I322-S324 PolarHBondContact O-N 2.94Å; I322-S324 VanDerWaalsContact O-N 3.14Å; I322-K325 PolarHBondContact O-N 3.42Å; I322-K325 VanDerWaalsContact O-N 3.1Å; I322-E326 PolarHBondContact O-N 3.45Å
323L38.9Very low42Very low108 Ų10897.9 Ų97.957%0.56552%0.521SS*.Hα-helixtrans-64.1-23.5-176.4-73.8171.4000112.7H327L323-H327 PolarHBondContact O-ND1 3.01Å
324S47.9Very low41.7Very low86 Ų86109.3 Ų109.360%0.60155%0.553SS**Hα-helixtrans-73.9-32.5176.773.80000113.4D321 I322D321-S324 PolarHBondContact O-OG 3.26Å; I322-S324 PolarHBondContact O-N 2.94Å; I322-S324 VanDerWaalsContact O-N 3.14Å
325K44Very low41.7Very low89 Ų89112.3 Ų112.339%0.38757%0.565SS.*Hα-helixtrans-86-39.6-178-83.9-171.2174.8179.80113.4D138 I322 H327 A328 D329D138-K325 IonicContact OD2-NZ 3.44Å; D138-K325 PolarHBondContact OD2-NZ 3.01Å; D138-K325 VanDerWaalsContact OD2-NZ 3.1Å; I322-K325 PolarHBondContact O-N 3.42Å; I322-K325 VanDerWaalsContact O-N 3.1Å; K325-H327 PolarHBondContact O-N 3.45Å; K325-A328 WeakPolarHBondContact O-CB 3.38Å; K325-A328 PolarHBondContact O-N 3.42Å; K325-D329 PolarHBondContact O-N 3.29Å; K325-D329 VanDerWaalsContact O-N 3.12Å
326E42.8Very low41.8Very low99 Ų99116.3 Ų116.346%0.46358%0.581SS.*Hα-helixtrans-60.2-32176.5-79.3-161.1173.500112.3I322 A328 R330I322-E326 PolarHBondContact O-N 3.45Å; E326-A328 VanDerWaalsContact C-N 3.31Å; E326-R330 WeakPolarHBondContact O-CG 3.36Å; E326-R330 PolarHBondContact O-N 3.4Å; E326-R330 IonicContact OE2-NH2 3.1Å; E326-R330 PolarHBondContact OE2-NH2 2.97Å
327H39.4Very low41.9Very low125 Ų125116.3 Ų116.358%0.57958%0.578SS**Hα-helixtrans-71-25.3174.4-78.784.5000113.4L323 K325 K331L323-H327 PolarHBondContact O-ND1 3.01Å; K325-H327 PolarHBondContact O-N 3.45Å; H327-K331 WeakPolarHBondContact O-CG 3.28Å
328A45.6Very low42Very low53 Ų53119.5 Ų119.544%0.43860%0.598SS.*Hα-helixtrans-77.3-46.4177.100000110.8K325 E326 R330 K331K325-A328 WeakPolarHBondContact O-CB 3.38Å; K325-A328 PolarHBondContact O-N 3.42Å; E326-A328 VanDerWaalsContact C-N 3.31Å; A328-R330 PolarHBondContact O-N 2.96Å; A328-K331 PolarHBondContact O-N 3.18Å; A328-K331 VanDerWaalsContact O-N 3.15Å
329D42.2Very low42.2Very low119 Ų119123.6 Ų123.664%0.63661%0.612SS**Hα-helixtrans-69.8-30.9-178.6-73.9-22.1000112.6K325 K331K325-D329 PolarHBondContact O-N 3.29Å; K325-D329 VanDerWaalsContact O-N 3.12Å; D329-K331 VanDerWaalsContact C-N 3.28Å; D329-K331 PolarHBondContact O-N 3.21Å
330R44.4Very low42.5Very low184 Ų184121.5 Ų121.569%0.69461%0.605SS**THydrogen-bonded Turntrans-73.3-14.3173-70.7-174.1-161.2-168.710114.4E326 A328E326-R330 WeakPolarHBondContact O-CG 3.36Å; E326-R330 PolarHBondContact O-N 3.4Å; E326-R330 IonicContact OE2-NH2 3.1Å; E326-R330 PolarHBondContact OE2-NH2 2.97Å; A328-R330 PolarHBondContact O-N 2.96Å
331K45.2Very low42.7Very low173 Ų173120.9 Ų120.975%0.75260%0.598SS**THydrogen-bonded Turntrans-88.3-10.6178.9-83.5-176178.7-178.30113.9H327 A328 D329H327-K331 WeakPolarHBondContact O-CG 3.28Å; A328-K331 PolarHBondContact O-N 3.18Å; A328-K331 VanDerWaalsContact O-N 3.15Å; D329-K331 VanDerWaalsContact C-N 3.28Å; D329-K331 PolarHBondContact O-N 3.21Å
332V44.6Very low42.5Very low124 Ų124123.8 Ų123.875%0.75261%0.61SS**SBendtrans-95.2-5.3-179.4-1710000112.3R334V332-R334 PolarHBondContact O-N 3.07Å
333S35.3Very low42.3Very low92 Ų92129.9 Ų129.964%0.64364%0.639SS**  trans-99.670171.552.40000112.4
334R37.8Very low42.7Very low307 Ų307131.9 Ų131.9100%1.15865%0.646SS**  trans-143.50157.9-80.2-167.5176.2-178.2-1.6109.4V332V332-R334 PolarHBondContact O-N 3.07Å

Retrieved 334 of 334 residues in 174.8 ms (Link to these results)

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