A0A087YJ99_POEFO Loading...

NOVA alternative splicing regulator 1

AlphaFold DB , UniProt , Accession A0A087YJ99, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 444 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
1M41.1Very low74.4Confident236 Ų23677.2 Ų77.2100%1.16338%0.377SS*.  01180-75.9168.3174.100104.9E3M1-E3 PolarHBondContact O-N 3.07Å
2E46.6Very low75.5Confident195 Ų19570.8 Ų70.891%0.91135%0.346SS*.  trans-63.3109.9171.1-74.9178.9122.800106.6G4E2-G4 PolarHBondContact O-N 2.81Å
3E57.3Low76.3Confident166 Ų16666.6 Ų66.678%0.77633%0.328SS*.  trans-69.485.5171.1-72.3-179.3133.300107.2M1 E5M1-E3 PolarHBondContact O-N 3.07Å; E3-E5 PolarHBondContact O-N 3.42Å
4G66.7Low76.7Confident29 Ų2965.9 Ų65.930%0.29933%0.332SS..  trans-61.2128.8173.900000109.7E2 Y6E2-G4 PolarHBondContact O-N 2.81Å; G4-Y6 WeakPolarHBondContact O-CD2 3.07Å; G4-Y6 WeakPolarHBondContact O-CE2 3.14Å
5E79Confident77.1Confident116 Ų11668.5 Ų68.554%0.54234%0.338SS..  trans-74.6123.8167-68.9-172140.900109.1E3 Q59E3-E5 PolarHBondContact O-N 3.42Å; E5-Q59 PolarHBondContact OE2-NE2 3.22Å
6Y85.4Confident77.6Confident50 Ų5064.2 Ų64.220%0.19632%0.317CS..EExtended strand (participates in β ladder)trans-106.5156.8178.6-58.3-74.2000110.7G4 Q59 G60 V62 Q174G4-Y6 WeakPolarHBondContact O-CD2 3.07Å; G4-Y6 WeakPolarHBondContact O-CE2 3.14Å; Y6-Q59 WeakPolarHBondContact O-CA 3.35Å; Y6-G60 PolarHBondContact N-O 3.39Å; Y6-G60 PolarHBondContact O-N 3.42Å; Y6-V62 HydrophobicContact CD2-CG2 3.59Å; Y6-V62 HydrophobicContact CE2-CG2 3.65Å; Y6-Q174 HydrophobicContact CD1-CB 3.97Å; Y6-Q174 HydrophobicContact CD2-CB 4.46Å; Y6-Q174 HydrophobicContact CE1-CB 3.39Å; Y6-Q174 HydrophobicContact CE2-CB 3.93Å; Y6-Q174 HydrophobicContact CG-CB 4.47Å
7F86.6Confident78.1Confident34 Ų3460.4 Ų60.415%0.14930%0.298CS..EExtended strand (participates in β ladder)trans-116.4127.2-179.6-60.4-89.6000109.8L57 I58 Q59 L183F7-L57 HydrophobicContact CB-CD1 4.33Å; F7-L57 HydrophobicContact CD1-CD1 4.38Å; F7-I58 CarbonylContact C-O 3.58Å; F7-I58 WeakPolarHBondContact CA-O 3.48Å; F7-Q59 HydrophobicContact CD1-CB 3.7Å; F7-Q59 HydrophobicContact CD1-CG 3.84Å; F7-Q59 HydrophobicContact CE1-CB 3.63Å; F7-Q59 HydrophobicContact CE1-CG 3.32Å; F7-Q59 VanDerWaalsContact CE1-OE1 3.28Å; F7-Q59 HydrophobicContact CZ-CG 3.8Å; F7-L183 HydrophobicContact CD1-CD2 3.24Å; F7-L183 HydrophobicContact CD2-CD2 4.11Å; F7-L183 HydrophobicContact CE1-CD2 3.17Å; F7-L183 HydrophobicContact CE2-CD2 4.09Å; F7-L183 HydrophobicContact CG-CD2 3.72Å; F7-L183 HydrophobicContact CZ-CD2 3.64Å
8L87.7Confident78.6Confident1 Ų159.7 Ų59.71%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-119.1128.9173.1-176.763000109.4V10 I58 L65 H69 L108 V170 I173L8-V10 HydrophobicContact CD2-CG2 4.09Å; L8-V10 HydrophobicContact CG-CG2 3.99Å; L8-I58 HydrophobicContact CB-CB 4.4Å; L8-I58 HydrophobicContact CD2-CD1 4.23Å; L8-I58 PolarHBondContact N-O 3.39Å; L8-I58 PolarHBondContact O-N 3.22Å; L8-L65 HydrophobicContact CB-CB 4.49Å; L8-L65 HydrophobicContact CB-CD1 4.01Å; L8-L65 HydrophobicContact CB-CD2 3.8Å; L8-L65 HydrophobicContact CB-CG 4.3Å; L8-L65 HydrophobicContact CD2-CB 4.26Å; L8-H69 HydrophobicContact CD2-CB 4.31Å; L8-L108 HydrophobicContact CD1-CD2 4.34Å; L8-V170 HydrophobicContact CD1-CG2 4.33Å; L8-V170 HydrophobicContact CD2-CG2 4.21Å; L8-I173 HydrophobicContact CD1-CD1 3.81Å
9K88.4Confident79Confident10 Ų1058.6 Ų58.64%0.04331%0.307CS..EExtended strand (participates in β ladder)trans-106.2129.5171.1-69.8-177.9-170.7-179.90110.4V55 C56 L57 L108 I109 E150 C182 N184 Y187K9-V55 HydrophobicContact CB-CG1 4.49Å; K9-V55 HydrophobicContact CD-CG1 4.32Å; K9-V55 HydrophobicContact CG-CG1 4.44Å; K9-C56 CarbonylContact C-O 3.56Å; K9-C56 VanDerWaalsContact CA-O 3.24Å; K9-C56 WeakPolarHBondContact CA-O 3.4Å; K9-L57 HydrophobicContact CG-CD1 3.62Å; K9-L108 WeakPolarHBondContact O-CA 3.45Å; K9-I109 HydrophobicContact CB-CB 3.71Å; K9-I109 HydrophobicContact CB-CD1 4.28Å; K9-I109 HydrophobicContact CB-CG2 4.45Å; K9-I109 HydrophobicContact CD-CB 4.19Å; K9-I109 HydrophobicContact CD-CG2 4.06Å; K9-I109 PolarHBondContact O-N 2.86Å; K9-E150 IonicContact NZ-OE2 3.31Å; K9-E150 PolarHBondContact NZ-OE2 3.28Å; K9-C182 WeakPolarHBondContact CE-O 3.42Å; K9-C182 PolarHBondContact NZ-O 3.34Å; K9-N184 VanDerWaalsContact CE-O 3.26Å; K9-N184 WeakPolarHBondContact CE-O 2.92Å; K9-N184 PolarHBondContact NZ-O 3.33Å; K9-Y187 PolarHBondContact NZ-OH 3.18Å; K9-Y187 VanDerWaalsContact NZ-OH 3.1Å
10V90.6Very high79.5Confident4 Ų455.8 Ų55.82%0.02429%0.292CS..EExtended strand (participates in β ladder)trans-123134.2179.4-171.60000109L8 I12 C56 I58 I72 L108L8-V10 HydrophobicContact CD2-CG2 4.09Å; L8-V10 HydrophobicContact CG-CG2 3.99Å; V10-I12 HydrophobicContact CG1-CG1 4.34Å; V10-C56 HydrophobicContact CB-CB 4.37Å; V10-C56 PolarHBondContact N-O 3.14Å; V10-C56 WeakPolarHBondContact O-CB 3.23Å; V10-C56 PolarHBondContact O-N 3.38Å; V10-I58 HydrophobicContact CG2-CD1 3.84Å; V10-I72 HydrophobicContact CG1-CG2 4.38Å; V10-L108 HydrophobicContact CB-CD2 4.42Å; V10-L108 HydrophobicContact CG1-CD2 4.21Å; V10-L108 HydrophobicContact CG2-CD2 3.85Å
11L88.5Confident80Confident8 Ų855.5 Ų55.54%0.04229%0.29CS..EExtended strand (participates in β ladder)trans-82.7123.2170-75177.7000109.5Y48 E53 V55 K107 I109 V152L11-Y48 HydrophobicContact CD1-CD1 4.43Å; L11-Y48 VanDerWaalsContact CD2-CB 3.42Å; L11-Y48 HydrophobicContact CD2-CD1 4.48Å; L11-Y48 HydrophobicContact CD2-CD2 4.34Å; L11-Y48 HydrophobicContact CD2-CG 3.86Å; L11-E53 HydrophobicContact CB-CB 4.03Å; L11-E53 HydrophobicContact CD2-CB 4.05Å; L11-E53 HydrophobicContact CG-CB 4.5Å; L11-V55 HydrophobicContact CD2-CG2 4.01Å; L11-K107 HydrophobicContact CB-CB 3.78Å; L11-K107 HydrophobicContact CD1-CB 4.12Å; L11-K107 HydrophobicContact CD1-CD 4.35Å; L11-K107 HydrophobicContact CG-CB 4.42Å; L11-K107 PolarHBondContact N-O 2.86Å; L11-I109 HydrophobicContact CD1-CD1 4.46Å; L11-I109 HydrophobicContact CD1-CG1 4.27Å; L11-I109 HydrophobicContact CD2-CD1 3.61Å; L11-I109 HydrophobicContact CD2-CG1 4.29Å; L11-I109 HydrophobicContact CG-CD1 3.76Å; L11-I109 HydrophobicContact CG-CG1 3.91Å; L11-V152 HydrophobicContact CD1-CG1 3.81Å; L11-V152 HydrophobicContact CD1-CG2 4.01Å
12I88.2Confident82.2Confident0 Ų045 Ų450%024%0.243CC..EExtended strand (participates in β ladder)trans-116.6123.5-175.9-54.7-164.1000108.8V10 A16 A17 I20 L41 E53 R54 C56 I72V10-I12 HydrophobicContact CG1-CG1 4.34Å; I12-A16 HydrophobicContact CG2-CB 4.2Å; I12-A17 HydrophobicContact CG2-CB 4.16Å; I12-I20 HydrophobicContact CD1-CD1 3.83Å; I12-I20 HydrophobicContact CG2-CD1 3.62Å; I12-L41 HydrophobicContact CD1-CD1 3.82Å; I12-E53 CarbonylContact O-C 3.51Å; I12-E53 WeakPolarHBondContact O-CA 3.25Å; I12-R54 PolarHBondContact N-O 3.4Å; I12-R54 PolarHBondContact O-N 3.19Å; I12-C56 HydrophobicContact CD1-CB 3.35Å; I12-C56 HydrophobicContact CG1-CB 3.77Å; I12-I72 HydrophobicContact CD1-CD1 3.96Å; I12-I72 HydrophobicContact CD1-CG1 4.17Å; I12-I72 HydrophobicContact CD1-CG2 3.74Å; I12-I72 HydrophobicContact CG1-CG2 4.13Å
13P85.7Confident84.3Confident17 Ų1745 Ų4511%0.1124%0.24CC..EExtended strand (participates in β ladder)trans-56.9143.1172.9-23.132.5000111.9Y15 A16 A17 V76P13-Y15 HydrophobicContact CB-CD1 3.54Å; P13-Y15 HydrophobicContact CB-CE1 3.17Å; P13-Y15 HydrophobicContact CB-CE2 4.22Å; P13-Y15 HydrophobicContact CB-CG 4.21Å; P13-Y15 HydrophobicContact CG-CE1 3.87Å; P13-Y15 PolarHBondContact O-N 3.04Å; P13-Y15 VanDerWaalsContact O-N 3.12Å; P13-A16 PolarHBondContact O-N 3.08Å; P13-A17 PolarHBondContact O-N 3.42Å; P13-A17 VanDerWaalsContact O-N 3.16Å; P13-V76 HydrophobicContact CG-CG1 4.29Å
14S81.9Confident85.6Confident56 Ų5641.1 Ų41.139%0.39225%0.245SC..Hα-helixtrans-53.7-36-179.3-63.10000113.2F47 T52S14-F47 VanDerWaalsContact OG-CE1 3.29Å; S14-F47 WeakPolarHBondContact OG-CE1 3.37Å; S14-T52 PolarHBondContact OG-O 3.19Å
15Y83.4Confident86.6Confident105 Ų10540.5 Ų40.541%0.41224%0.238SC..Hα-helixtrans-67.1-41178.764.6-99.8000112.4P13 M79P13-Y15 HydrophobicContact CB-CD1 3.54Å; P13-Y15 HydrophobicContact CB-CE1 3.17Å; P13-Y15 HydrophobicContact CB-CE2 4.22Å; P13-Y15 HydrophobicContact CB-CG 4.21Å; P13-Y15 HydrophobicContact CG-CE1 3.87Å; P13-Y15 PolarHBondContact O-N 3.04Å; P13-Y15 VanDerWaalsContact O-N 3.12Å; Y15-M79 HydrophobicContact CD2-CB 4.21Å; Y15-M79 WeakPolarHBondContact O-CE 3.48Å
16A84.9Confident87.2Confident0 Ų042 Ų420%025%0.245CC..Hα-helixtrans-78.2-26.9-176.100000113.1I12 P13 G18 S19 I20 V76I12-A16 HydrophobicContact CG2-CB 4.2Å; P13-A16 PolarHBondContact O-N 3.08Å; A16-G18 PolarHBondContact O-N 3.01Å; A16-S19 PolarHBondContact O-N 3.42Å; A16-S19 VanDerWaalsContact O-N 3.12Å; A16-I20 HydrophobicContact CB-CD1 4.38Å; A16-I20 WeakPolarHBondContact O-CG1 3.42Å; A16-I20 PolarHBondContact O-N 3.47Å; A16-V76 HydrophobicContact CB-CB 4.19Å; A16-V76 HydrophobicContact CB-CG2 3.54Å
17A85.8Confident87.5Confident0 Ų042 Ų420%025%0.25CS..Hα-helixtrans-56.3-35.4-177.200000113.5I12 P13 I20 I21 L41 R54I12-A17 HydrophobicContact CG2-CB 4.16Å; P13-A17 PolarHBondContact O-N 3.42Å; P13-A17 VanDerWaalsContact O-N 3.16Å; A17-I20 PolarHBondContact O-N 2.85Å; A17-I21 WeakPolarHBondContact O-CD1 3.44Å; A17-I21 VanDerWaalsContact O-CG1 3.26Å; A17-I21 WeakPolarHBondContact O-CG1 3.44Å; A17-I21 PolarHBondContact O-N 3.37Å; A17-I21 VanDerWaalsContact O-N 3.15Å; A17-L41 HydrophobicContact CB-CD2 3.89Å; A17-R54 VanDerWaalsContact CB-NH1 3.33Å
18G86.4Confident87.7Confident48 Ų4841.2 Ų41.250%0.49525%0.248SC..Hα-helixtrans-64.5-40.6178.200000113.3A16 G22A16-G18 PolarHBondContact O-N 3.01Å; G18-G22 PolarHBondContact O-N 3.38Å
19S87.5Confident87.9Confident39 Ų3945.5 Ų45.527%0.27327%0.274SS..Hα-helixtrans-70.7-35.4179.2-174.40000112.3A16 G22 M79A16-S19 PolarHBondContact O-N 3.42Å; A16-S19 VanDerWaalsContact O-N 3.12Å; S19-G22 PolarHBondContact O-N 3.32Å; S19-M79 VanDerWaalsContact CB-SD 3.52Å
20I89.3Confident88.1Confident2 Ų249.4 Ų49.41%0.0129%0.292CS..Hα-helixtrans-68.6-38.6177.8-63.8163.5000111.1I12 A16 A17 I72 K75I12-I20 HydrophobicContact CD1-CD1 3.83Å; I12-I20 HydrophobicContact CG2-CD1 3.62Å; A16-I20 HydrophobicContact CB-CD1 4.38Å; A16-I20 WeakPolarHBondContact O-CG1 3.42Å; A16-I20 PolarHBondContact O-N 3.47Å; A17-I20 PolarHBondContact O-N 2.85Å; I20-I72 HydrophobicContact CD1-CB 4.35Å; I20-I72 HydrophobicContact CD1-CG1 4.22Å; I20-I72 HydrophobicContact CD1-CG2 3.91Å; I20-I72 HydrophobicContact CG2-CG1 4.31Å; I20-K75 HydrophobicContact CD1-CB 4.32Å; I20-K75 HydrophobicContact CG1-CB 3.63Å; I20-K75 HydrophobicContact CG1-CG 4.07Å
21I90Very high88.1Confident49 Ų4949.6 Ų49.625%0.25129%0.293SS..Hα-helixtrans-68.6-43.8174.3-63.8164.2000110.5A17 G25 T27 I28 L41A17-I21 WeakPolarHBondContact O-CD1 3.44Å; A17-I21 VanDerWaalsContact O-CG1 3.26Å; A17-I21 WeakPolarHBondContact O-CG1 3.44Å; A17-I21 PolarHBondContact O-N 3.37Å; A17-I21 VanDerWaalsContact O-N 3.15Å; I21-G25 CarbonylContact O-C 3.46Å; I21-G25 VanDerWaalsContact O-C 3.3Å; I21-G25 VanDerWaalsContact O-CA 3.25Å; I21-G25 WeakPolarHBondContact O-CA 3.21Å; I21-T27 PolarHBondContact O-N 3.06Å; I21-I28 HydrophobicContact CG2-CG2 4.33Å; I21-I28 PolarHBondContact O-N 2.87Å; I21-L41 HydrophobicContact CD1-CD2 3.83Å; I21-L41 HydrophobicContact CG1-CD2 4.03Å
22G86.6Confident88.3Confident17 Ų1751.7 Ų51.718%0.17530%0.303CS..  trans77.9169.2-17500000113.5G18 S19 G24 G25 T27G18-G22 PolarHBondContact O-N 3.38Å; S19-G22 PolarHBondContact O-N 3.32Å; G22-G24 PolarHBondContact O-N 2.84Å; G22-G24 VanDerWaalsContact O-N 3.16Å; G22-G25 PolarHBondContact O-N 2.66Å; G22-G25 VanDerWaalsContact O-N 3.1Å; G22-T27 WeakPolarHBondContact CA-OG1 3.24Å
23K89.6Confident88.4Confident193 Ų19359.6 Ų59.684%0.83934%0.337SS*.G310 helixtrans-61.8118.7179.3-66179.8-177.9176.20109.6G25 Q26K23-G25 PolarHBondContact O-N 3.39Å; K23-Q26 WeakPolarHBondContact O-CG 3.46Å; K23-Q26 PolarHBondContact O-N 2.8Å
24G86Confident88.7Confident86 Ų8665.2 Ų65.289%0.88736%0.362SS*.G310 helixtrans65.418.2-178.100000114.9G22 Q26G22-G24 PolarHBondContact O-N 2.84Å; G22-G24 VanDerWaalsContact O-N 3.16Å; G24-Q26 VanDerWaalsContact C-N 3.28Å; G24-Q26 PolarHBondContact O-N 2.78Å
25G86.8Confident89.1Confident15 Ų1564 Ų6416%0.15535%0.352CS..G310 helixtrans77.28.8-178.600000114.8I21 G22 K23 T27 I28 V29I21-G25 CarbonylContact O-C 3.46Å; I21-G25 VanDerWaalsContact O-C 3.3Å; I21-G25 VanDerWaalsContact O-CA 3.25Å; I21-G25 WeakPolarHBondContact O-CA 3.21Å; G22-G25 PolarHBondContact O-N 2.66Å; G22-G25 VanDerWaalsContact O-N 3.1Å; K23-G25 PolarHBondContact O-N 3.39Å; G25-T27 PolarHBondContact O-N 3.42Å; G25-I28 VanDerWaalsContact O-CG2 3.25Å; G25-I28 WeakPolarHBondContact O-CG2 3.47Å; G25-V29 WeakPolarHBondContact O-CB 3.27Å; G25-V29 VanDerWaalsContact O-CG2 3.23Å; G25-V29 WeakPolarHBondContact O-CG2 3.49Å; G25-V29 PolarHBondContact O-N 2.98Å; G25-V29 VanDerWaalsContact O-N 3.14Å
26Q91Very high89.3Confident147 Ų14762 Ų6269%0.68736%0.364SS*.Hα-helixtrans-63.5-41.3-175.7-69.3-178.87.900112.7K23 G24 V29 Q30K23-Q26 WeakPolarHBondContact O-CG 3.46Å; K23-Q26 PolarHBondContact O-N 2.8Å; G24-Q26 VanDerWaalsContact C-N 3.28Å; G24-Q26 PolarHBondContact O-N 2.78Å; Q26-V29 PolarHBondContact O-N 3.47Å; Q26-Q30 WeakPolarHBondContact O-CB 3.35Å; Q26-Q30 PolarHBondContact O-N 2.94Å
27T91.7Very high89.5Confident50 Ų5062.2 Ų62.231%0.30737%0.365SS..Hα-helixtrans-65.5-46.4-177.2-55.90000111.7I21 G22 G25 V29 Q30 L31 F71I21-T27 PolarHBondContact O-N 3.06Å; G22-T27 WeakPolarHBondContact CA-OG1 3.24Å; G25-T27 PolarHBondContact O-N 3.42Å; T27-V29 VanDerWaalsContact C-N 3.33Å; T27-V29 PolarHBondContact O-N 3.01Å; T27-Q30 PolarHBondContact O-N 2.63Å; T27-L31 WeakPolarHBondContact O-CB 3.43Å; T27-L31 PolarHBondContact O-N 2.91Å; T27-F71 HydrophobicContact CG2-CE1 4Å; T27-F71 HydrophobicContact CG2-CZ 3.55Å
28I91.6Very high89.7Confident18 Ų1865 Ų659%0.09238%0.382CS..Hα-helixtrans-68.2-32.9178.2-166.2173.2000112.2I21 G25 Q32 I39I21-I28 HydrophobicContact CG2-CG2 4.33Å; I21-I28 PolarHBondContact O-N 2.87Å; G25-I28 VanDerWaalsContact O-CG2 3.25Å; G25-I28 WeakPolarHBondContact O-CG2 3.47Å; I28-Q32 WeakPolarHBondContact O-CB 3.28Å; I28-Q32 WeakPolarHBondContact O-CG 3.3Å; I28-Q32 PolarHBondContact O-N 2.86Å; I28-Q32 PolarHBondContact O-NE2 3.35Å; I28-I39 HydrophobicContact CD1-CB 4.23Å; I28-I39 HydrophobicContact CD1-CG2 3.87Å; I28-I39 HydrophobicContact CG1-CB 4.19Å; I28-I39 HydrophobicContact CG1-CG2 4.19Å
29V92.2Very high89.9Confident92 Ų9263.1 Ų63.156%0.55836%0.36SS*.Hα-helixtrans-69.6-42.9175.2171.10000110.8G25 Q26 T27 Q32 K33G25-V29 WeakPolarHBondContact O-CB 3.27Å; G25-V29 VanDerWaalsContact O-CG2 3.23Å; G25-V29 WeakPolarHBondContact O-CG2 3.49Å; G25-V29 PolarHBondContact O-N 2.98Å; G25-V29 VanDerWaalsContact O-N 3.14Å; Q26-V29 PolarHBondContact O-N 3.47Å; T27-V29 VanDerWaalsContact C-N 3.33Å; T27-V29 PolarHBondContact O-N 3.01Å; V29-Q32 PolarHBondContact O-N 2.84Å; V29-K33 WeakPolarHBondContact O-CB 3.36Å; V29-K33 PolarHBondContact O-N 3.18Å
30Q92.2Very high90Very high91 Ų9167 Ų6743%0.42537%0.373SS..Hα-helixtrans-61.8-45.7175.3-177.264.518.200111Q26 T27 Q32 K33 E34Q26-Q30 WeakPolarHBondContact O-CB 3.35Å; Q26-Q30 PolarHBondContact O-N 2.94Å; T27-Q30 PolarHBondContact O-N 2.63Å; Q30-Q32 PolarHBondContact O-N 3.03Å; Q30-K33 WeakPolarHBondContact O-CB 3.22Å; Q30-K33 PolarHBondContact O-N 3.42Å; Q30-K33 VanDerWaalsContact O-N 3.08Å; Q30-E34 HydrophobicContact CG-CG 4.38Å; Q30-E34 PolarHBondContact NE2-OE1 2.86Å; Q30-E34 WeakPolarHBondContact O-CG 3.43Å; Q30-E34 PolarHBondContact O-N 3.11Å
31L91.8Very high89.9Confident9 Ų968.6 Ų68.65%0.04738%0.381CS..Hα-helixtrans-61.2-42.4178.6-176.365000112.1T27 K33 E34 T35 I39 V68 F71T27-L31 WeakPolarHBondContact O-CB 3.43Å; T27-L31 PolarHBondContact O-N 2.91Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 2.69Å; L31-E34 PolarHBondContact O-N 3.05Å; L31-T35 HydrophobicContact CD1-CG2 3.96Å; L31-T35 WeakPolarHBondContact O-CB 2.86Å; L31-T35 WeakPolarHBondContact O-CG2 3.36Å; L31-T35 PolarHBondContact O-N 3.14Å; L31-T35 PolarHBondContact O-OG1 3.22Å; L31-I39 HydrophobicContact CB-CD1 4.38Å; L31-I39 HydrophobicContact CD2-CD1 3.61Å; L31-I39 HydrophobicContact CG-CD1 3.84Å; L31-V68 HydrophobicContact CD2-CG1 4.2Å; L31-V68 HydrophobicContact CD2-CG2 4.44Å; L31-V68 HydrophobicContact CG-CG2 4.32Å; L31-F71 HydrophobicContact CD1-CB 4.13Å; L31-F71 HydrophobicContact CD1-CD1 4.32Å; L31-F71 HydrophobicContact CD1-CD2 4.21Å; L31-F71 HydrophobicContact CD1-CG 3.96Å; L31-F71 HydrophobicContact CD2-CB 4.28Å; L31-F71 HydrophobicContact CD2-CD1 3.47Å; L31-F71 VanDerWaalsContact CD2-CD1 3.47Å; L31-F71 HydrophobicContact CD2-CE1 3.95Å; L31-F71 HydrophobicContact CD2-CG 3.93Å; L31-F71 HydrophobicContact CG-CD1 4.5Å
32Q90.9Very high89.7Confident51 Ų5166.4 Ų66.424%0.23837%0.37CS..Hα-helixtrans-62.4-38.5174.1-74.217587.500111.8I28 V29 Q30 G36 A37 I39I28-Q32 WeakPolarHBondContact O-CB 3.28Å; I28-Q32 WeakPolarHBondContact O-CG 3.3Å; I28-Q32 PolarHBondContact O-N 2.86Å; I28-Q32 PolarHBondContact O-NE2 3.35Å; V29-Q32 PolarHBondContact O-N 2.84Å; Q30-Q32 PolarHBondContact O-N 3.03Å; Q32-G36 VanDerWaalsContact O-CA 3.27Å; Q32-G36 WeakPolarHBondContact O-CA 3.33Å; Q32-G36 PolarHBondContact O-N 3.22Å; Q32-A37 VanDerWaalsContact CA-O 3.3Å; Q32-A37 WeakPolarHBondContact CA-O 3.28Å; Q32-A37 VanDerWaalsContact CB-O 3.28Å; Q32-A37 WeakPolarHBondContact CB-O 3.48Å; Q32-A37 VanDerWaalsContact CG-O 3.24Å; Q32-A37 WeakPolarHBondContact CG-O 3.42Å; Q32-I39 HydrophobicContact CG-CB 3.83Å; Q32-I39 HydrophobicContact CG-CD1 3.77Å; Q32-I39 HydrophobicContact CG-CG1 3.67Å; Q32-I39 VanDerWaalsContact OE1-N 3.11Å
33K91.9Very high89.6Confident167 Ų16773.2 Ų73.273%0.72640%0.395SS*.Hα-helixtrans-69.5-39.7177.8-172.7-179178.4-175.60112.8V29 Q30 L31V29-K33 WeakPolarHBondContact O-CB 3.36Å; V29-K33 PolarHBondContact O-N 3.18Å; Q30-K33 WeakPolarHBondContact O-CB 3.22Å; Q30-K33 PolarHBondContact O-N 3.42Å; Q30-K33 VanDerWaalsContact O-N 3.08Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 2.69Å
34E91.6Very high88.9Confident135 Ų13568 Ų6863%0.63138%0.383SS*.Hα-helixtrans-74.1-40.9-179.2-74.8175.815800112.5Q30 L31Q30-E34 HydrophobicContact CG-CG 4.38Å; Q30-E34 PolarHBondContact NE2-OE1 2.86Å; Q30-E34 WeakPolarHBondContact O-CG 3.43Å; Q30-E34 PolarHBondContact O-N 3.11Å; L31-E34 PolarHBondContact O-N 3.05Å
35T89.2Confident88.2Confident31 Ų3173.3 Ų73.319%0.1938%0.381CS..Hα-helixtrans-89.4-16.7-177.659.40000113.3L31 A37 A64 V68L31-T35 HydrophobicContact CD1-CG2 3.96Å; L31-T35 WeakPolarHBondContact O-CB 2.86Å; L31-T35 WeakPolarHBondContact O-CG2 3.36Å; L31-T35 PolarHBondContact O-N 3.14Å; L31-T35 PolarHBondContact O-OG1 3.22Å; T35-A37 PolarHBondContact O-N 3.07Å; T35-A37 PolarHBondContact OG1-N 3.17Å; T35-A64 VanDerWaalsContact O-CB 3.28Å; T35-A64 WeakPolarHBondContact O-CB 3.3Å; T35-V68 HydrophobicContact CG2-CG2 3.96Å
36G87.8Confident87.9Confident63 Ų6372.9 Ų72.965%0.64938%0.375SS*.  trans68.72.3-171.100000114Q32Q32-G36 VanDerWaalsContact O-CA 3.27Å; Q32-G36 WeakPolarHBondContact O-CA 3.33Å; Q32-G36 PolarHBondContact O-N 3.22Å
37A89.3Confident87.4Confident3 Ų369.3 Ų69.33%0.02536%0.358CS..  trans-81.8148.2175.700000111.4Q32 T35 I58 Q59 A64 V68Q32-A37 VanDerWaalsContact CA-O 3.3Å; Q32-A37 WeakPolarHBondContact CA-O 3.28Å; Q32-A37 VanDerWaalsContact CB-O 3.28Å; Q32-A37 WeakPolarHBondContact CB-O 3.48Å; Q32-A37 VanDerWaalsContact CG-O 3.24Å; Q32-A37 WeakPolarHBondContact CG-O 3.42Å; T35-A37 PolarHBondContact O-N 3.07Å; T35-A37 PolarHBondContact OG1-N 3.17Å; A37-I58 HydrophobicContact CB-CG2 4.01Å; A37-Q59 CarbonylContact C-O 3.51Å; A37-Q59 VanDerWaalsContact CA-O 3.22Å; A37-Q59 WeakPolarHBondContact CA-O 2.88Å; A37-Q59 WeakPolarHBondContact CB-O 3.26Å; A37-A64 HydrophobicContact CB-CB 3.71Å; A37-V68 HydrophobicContact CB-CG2 4.1Å
38T89.4Confident86.8Confident58 Ų5867.4 Ų67.436%0.35635%0.345SS..EExtended strand (participates in β ladder)trans-90.4124.5168-62.80000109.4I58 Q59T38-I58 CarbonylContact O-C 3.6Å; T38-I58 WeakPolarHBondContact O-CA 3.33Å; T38-Q59 PolarHBondContact N-O 2.7Å; T38-Q59 PolarHBondContact O-N 3.37Å
39I91.3Very high85.8Confident9 Ų967.2 Ų67.25%0.04635%0.345CS..EExtended strand (participates in β ladder)trans-119.1123.7-177-52.3169.2000109.3I28 L31 Q32 L57 I58 V68I28-I39 HydrophobicContact CD1-CB 4.23Å; I28-I39 HydrophobicContact CD1-CG2 3.87Å; I28-I39 HydrophobicContact CG1-CB 4.19Å; I28-I39 HydrophobicContact CG1-CG2 4.19Å; L31-I39 HydrophobicContact CB-CD1 4.38Å; L31-I39 HydrophobicContact CD2-CD1 3.61Å; L31-I39 HydrophobicContact CG-CD1 3.84Å; Q32-I39 HydrophobicContact CG-CB 3.83Å; Q32-I39 HydrophobicContact CG-CD1 3.77Å; Q32-I39 HydrophobicContact CG-CG1 3.67Å; Q32-I39 VanDerWaalsContact OE1-N 3.11Å; I39-L57 CarbonylContact C-O 3.55Å; I39-L57 WeakPolarHBondContact CA-O 3.37Å; I39-I58 HydrophobicContact CG1-CG2 4.28Å; I39-I58 HydrophobicContact CG2-CG1 4.49Å; I39-V68 HydrophobicContact CD1-CB 4.36Å; I39-V68 HydrophobicContact CD1-CG1 3.58Å; I39-V68 HydrophobicContact CD1-CG2 3.73Å; I39-V68 HydrophobicContact CG1-CG1 4.1Å; I39-V68 HydrophobicContact CG1-CG2 4.3Å
40K89Confident84.7Confident122 Ų12265.1 Ų65.153%0.5334%0.342SS..EExtended strand (participates in β ladder)trans-125126.4177.4-74.8-179.8178.3170.30110.6L57 I185K40-L57 HydrophobicContact CB-CB 4.49Å; K40-L57 PolarHBondContact N-O 3.21Å; K40-L57 PolarHBondContact O-N 3.5Å; K40-I185 HydrophobicContact CB-CD1 3.77Å; K40-I185 HydrophobicContact CD-CD1 3.93Å
41L87.7Confident83.8Confident35 Ų3562 Ų6218%0.18333%0.329CS..EExtended strand (participates in β ladder)trans-105.8135177.4-146.974.6000110.8I12 A17 I21 C56I12-L41 HydrophobicContact CD1-CD1 3.82Å; A17-L41 HydrophobicContact CB-CD2 3.89Å; I21-L41 HydrophobicContact CD1-CD2 3.83Å; I21-L41 HydrophobicContact CG1-CD2 4.03Å; L41-C56 HydrophobicContact CD1-CB 3.35Å; L41-C56 VanDerWaalsContact CD1-SG 3.52Å
42S86.6Confident83.1Confident3 Ų366.3 Ų66.32%0.02136%0.356CS..  trans-55.4155.7169.253.50000111.7D46 R54 V55S42-D46 WeakPolarHBondContact CB-O 3.4Å; S42-D46 PolarHBondContact OG-O 3.1Å; S42-R54 VanDerWaalsContact O-CZ 3.25Å; S42-R54 PolarHBondContact O-NE 3Å; S42-R54 PolarHBondContact O-NH2 3.47Å; S42-R54 WeakPolarHBondContact OG-CA 3.13Å; S42-R54 WeakPolarHBondContact OG-CB 3.21Å; S42-V55 WeakPolarHBondContact CB-O 3.43Å; S42-V55 PolarHBondContact N-O 3.45Å; S42-V55 PolarHBondContact OG-N 3.39Å; S42-V55 PolarHBondContact OG-O 2.88Å
43K83.1Confident82.8Confident160 Ų16065 Ų6570%0.69635%0.35SS*.  trans-64.7160.7-178.4-64.4176.4-178.6173.20111.6K45 D46 R54K43-K45 PolarHBondContact O-N 3.46Å; K43-D46 HydrophobicContact CB-CB 3.98Å; K43-D46 PolarHBondContact O-N 3.41Å; K43-R54 PolarHBondContact O-NE 3.44Å
44S75.1Confident82.6Confident84 Ų8458.1 Ų58.159%0.58732%0.319SS*.THydrogen-bonded Turntrans-60.9-14.4-177.4-51.80000115.6F47S44-F47 WeakPolarHBondContact O-CZ 3.32Å
45K72.7Confident82.5Confident197 Ų19751.7 Ų51.786%0.85729%0.289SS*.THydrogen-bonded Turntrans-116.99.6176.9-62.8-176.7178.3-1790112.8K43K43-K45 PolarHBondContact O-N 3.46Å
46D79.1Confident82.5Confident5 Ų550.2 Ų50.23%0.02728%0.28CS..  trans-108.990.2-177.2-165.115.7000107.3S42 K43 S186 Y187 S188S42-D46 WeakPolarHBondContact CB-O 3.4Å; S42-D46 PolarHBondContact OG-O 3.1Å; K43-D46 HydrophobicContact CB-CB 3.98Å; K43-D46 PolarHBondContact O-N 3.41Å; D46-S186 WeakPolarHBondContact OD2-CA 3.45Å; D46-S186 WeakPolarHBondContact OD2-CB 3.45Å; D46-S186 PolarHBondContact OD2-OG 3.48Å; D46-Y187 PolarHBondContact OD1-N 3.31Å; D46-Y187 VanDerWaalsContact OD1-N 3.15Å; D46-S188 PolarHBondContact OD1-N 3.04Å; D46-S188 PolarHBondContact OD1-OG 3.09Å
47F81Confident82.6Confident73 Ų7347.7 Ų47.732%0.3225%0.252SS..BIsolated β-bridgetrans-97151.9-177.1-56.6-65.2000110S14 S44 T51 E53 R54S14-F47 VanDerWaalsContact OG-CE1 3.29Å; S14-F47 WeakPolarHBondContact OG-CE1 3.37Å; S44-F47 WeakPolarHBondContact O-CZ 3.32Å; F47-T51 WeakPolarHBondContact CB-O 2.87Å; F47-E53 WeakPolarHBondContact CA-O 3.45Å; F47-R54 HydrophobicContact CD1-CG 4.01Å; F47-R54 HydrophobicContact CE1-CG 3.94Å
48Y79.2Confident82.7Confident10 Ų1047.5 Ų47.54%0.03925%0.25CS..PPolyproline II helixtrans-62135.6166.4-170.8-95000108.7L11 G50 T51 E53 V55 I109 E150 V152 Y187L11-Y48 HydrophobicContact CD1-CD1 4.43Å; L11-Y48 VanDerWaalsContact CD2-CB 3.42Å; L11-Y48 HydrophobicContact CD2-CD1 4.48Å; L11-Y48 HydrophobicContact CD2-CD2 4.34Å; L11-Y48 HydrophobicContact CD2-CG 3.86Å; Y48-G50 PolarHBondContact O-N 3.16Å; Y48-T51 HydrophobicContact CD1-CG2 4.27Å; Y48-T51 PolarHBondContact O-N 3.37Å; Y48-T51 PolarHBondContact O-OG1 2.72Å; Y48-E53 PolarHBondContact N-O 3.26Å; Y48-V55 HydrophobicContact CD2-CG2 3.92Å; Y48-V55 HydrophobicContact CG-CG2 4.36Å; Y48-I109 HydrophobicContact CD2-CD1 3.56Å; Y48-I109 HydrophobicContact CD2-CG1 4.32Å; Y48-I109 HydrophobicContact CE2-CD1 3.72Å; Y48-I109 HydrophobicContact CE2-CG1 4.08Å; Y48-I109 HydrophobicContact CE2-CG2 4.28Å; Y48-I109 HydrophobicContact CG-CD1 4.27Å; Y48-E150 HydrophobicContact CE2-CG 4.39Å; Y48-V152 HydrophobicContact CD1-CG2 4.22Å; Y48-V152 HydrophobicContact CE1-CG2 3.49Å; Y48-V152 VanDerWaalsContact CE1-CG2 3.49Å; Y48-Y187 HydrophobicContact CD2-CD2 4.16Å; Y48-Y187 HydrophobicContact CD2-CE1 4.49Å; Y48-Y187 AromaticContact CD2-CE2 3.98Å; Y48-Y187 HydrophobicContact CD2-CE2 3.98Å; Y48-Y187 HydrophobicContact CE2-CE1 4.27Å; Y48-Y187 HydrophobicContact CE2-CE2 4.4Å
49P71.1Confident82.7Confident14 Ų1447 Ų479%0.09124%0.244CC..THydrogen-bonded Turntrans-52.3138.9-177-28.537.1000110.8T51 Y187 V190 V194P49-T51 PolarHBondContact O-N 3.43Å; P49-Y187 HydrophobicContact CG-CD1 4.17Å; P49-Y187 HydrophobicContact CG-CG 4.19Å; P49-V190 HydrophobicContact CG-CB 4Å; P49-V190 HydrophobicContact CG-CG1 3.97Å; P49-V194 HydrophobicContact CB-CB 4.06Å; P49-V194 HydrophobicContact CB-CG1 3.43Å; P49-V194 VanDerWaalsContact CB-CG1 3.43Å; P49-V194 HydrophobicContact CB-CG2 3.64Å; P49-V194 HydrophobicContact CG-CG1 4.34Å; P49-V194 WeakPolarHBondContact O-CG2 3.49Å
50G68.1Low82.6Confident48 Ų4846.9 Ų46.950%0.49524%0.244SC..THydrogen-bonded Turntrans71.15.3178.700000115.2Y48 V194Y48-G50 PolarHBondContact O-N 3.16Å; G50-V194 VanDerWaalsContact N-CG2 3.28Å
51T73Confident82.6Confident24 Ų2443.5 Ų43.515%0.14723%0.234CC..SBendtrans-130164.7171.777.10000111.1F47 Y48 P49 E53 S197F47-T51 WeakPolarHBondContact CB-O 2.87Å; Y48-T51 HydrophobicContact CD1-CG2 4.27Å; Y48-T51 PolarHBondContact O-N 3.37Å; Y48-T51 PolarHBondContact O-OG1 2.72Å; P49-T51 PolarHBondContact O-N 3.43Å; T51-E53 VanDerWaalsContact C-N 3.28Å; T51-E53 PolarHBondContact OG1-N 3.05Å; T51-S197 WeakPolarHBondContact CG2-OG 3.45Å
52T78.1Confident82.6Confident101 Ų10143.5 Ų43.562%0.6224%0.236SC*.SBendtrans-99.326.6168.560.40000111.2S14S14-T52 PolarHBondContact OG-O 3.19Å
53E84.3Confident82.7Confident23 Ų2350.7 Ų50.711%0.10727%0.269CS..EExtended strand (participates in β ladder)trans-108.7137.9-173.4-64.9170158.100109.5L11 I12 F47 Y48 T51 K107L11-E53 HydrophobicContact CB-CB 4.03Å; L11-E53 HydrophobicContact CD2-CB 4.05Å; L11-E53 HydrophobicContact CG-CB 4.5Å; I12-E53 CarbonylContact O-C 3.51Å; I12-E53 WeakPolarHBondContact O-CA 3.25Å; F47-E53 WeakPolarHBondContact CA-O 3.45Å; Y48-E53 PolarHBondContact N-O 3.26Å; T51-E53 VanDerWaalsContact C-N 3.28Å; T51-E53 PolarHBondContact OG1-N 3.05Å; E53-K107 WeakPolarHBondContact OE1-CD 3.35Å; E53-K107 IonicContact OE1-NZ 3.58Å; E53-K107 PolarHBondContact OE1-NZ 3.4Å; E53-K107 WeakPolarHBondContact OE2-CD 3.25Å; E53-K107 IonicContact OE2-NZ 2.76Å; E53-K107 PolarHBondContact OE2-NZ 2.66Å
54R88.1Confident83Confident22 Ų2243.3 Ų43.38%0.08324%0.237CC..EExtended strand (participates in β ladder)trans-84.6141.1177.5-70.9174.870.5-172.22.9108.9I12 A17 S42 K43 F47I12-R54 PolarHBondContact N-O 3.4Å; I12-R54 PolarHBondContact O-N 3.19Å; A17-R54 VanDerWaalsContact CB-NH1 3.33Å; S42-R54 VanDerWaalsContact O-CZ 3.25Å; S42-R54 PolarHBondContact O-NE 3Å; S42-R54 PolarHBondContact O-NH2 3.47Å; S42-R54 WeakPolarHBondContact OG-CA 3.13Å; S42-R54 WeakPolarHBondContact OG-CB 3.21Å; K43-R54 PolarHBondContact O-NE 3.44Å; F47-R54 HydrophobicContact CD1-CG 4.01Å; F47-R54 HydrophobicContact CE1-CG 3.94Å
55V89Confident83.7Confident0 Ų039.3 Ų39.30%021%0.209CC..EExtended strand (participates in β ladder)trans-81.5129.5174.1-1760000110K9 L11 S42 Y48 I109 Y187K9-V55 HydrophobicContact CB-CG1 4.49Å; K9-V55 HydrophobicContact CD-CG1 4.32Å; K9-V55 HydrophobicContact CG-CG1 4.44Å; L11-V55 HydrophobicContact CD2-CG2 4.01Å; S42-V55 WeakPolarHBondContact CB-O 3.43Å; S42-V55 PolarHBondContact N-O 3.45Å; S42-V55 PolarHBondContact OG-N 3.39Å; S42-V55 PolarHBondContact OG-O 2.88Å; Y48-V55 HydrophobicContact CD2-CG2 3.92Å; Y48-V55 HydrophobicContact CG-CG2 4.36Å; V55-I109 HydrophobicContact CG1-CD1 4Å; V55-I109 HydrophobicContact CG2-CD1 3.91Å; V55-Y187 HydrophobicContact CG2-CD2 4Å; V55-Y187 HydrophobicContact CG2-CE2 3.79Å
56C90.4Very high84.5Confident0 Ų031.4 Ų31.40%018%0.177CC..EExtended strand (participates in β ladder)trans-109.9117.5169.4-172.10000109.3K9 V10 I12 L41K9-C56 CarbonylContact C-O 3.56Å; K9-C56 VanDerWaalsContact CA-O 3.24Å; K9-C56 WeakPolarHBondContact CA-O 3.4Å; V10-C56 HydrophobicContact CB-CB 4.37Å; V10-C56 PolarHBondContact N-O 3.14Å; V10-C56 WeakPolarHBondContact O-CB 3.23Å; V10-C56 PolarHBondContact O-N 3.38Å; I12-C56 HydrophobicContact CD1-CB 3.35Å; I12-C56 HydrophobicContact CG1-CB 3.77Å; L41-C56 HydrophobicContact CD1-CB 3.35Å; L41-C56 VanDerWaalsContact CD1-SG 3.52Å
57L90.1Very high85Confident10 Ų1034.1 Ų34.15%0.05220%0.196CC..EExtended strand (participates in β ladder)trans-96.7126.2171.8-177.471.8000109.1F7 K9 I39 K40 L183 I185F7-L57 HydrophobicContact CB-CD1 4.33Å; F7-L57 HydrophobicContact CD1-CD1 4.38Å; K9-L57 HydrophobicContact CG-CD1 3.62Å; I39-L57 CarbonylContact C-O 3.55Å; I39-L57 WeakPolarHBondContact CA-O 3.37Å; K40-L57 HydrophobicContact CB-CB 4.49Å; K40-L57 PolarHBondContact N-O 3.21Å; K40-L57 PolarHBondContact O-N 3.5Å; L57-L183 HydrophobicContact CD2-CD2 4.42Å; L57-I185 HydrophobicContact CB-CD1 3.77Å; L57-I185 HydrophobicContact CB-CG1 3.89Å; L57-I185 HydrophobicContact CD2-CD1 3.4Å; L57-I185 VanDerWaalsContact CD2-CD1 3.4Å; L57-I185 HydrophobicContact CD2-CG1 3.68Å; L57-I185 HydrophobicContact CG-CD1 4.22Å; L57-I185 HydrophobicContact CG-CG1 4.36Å
58I91.1Very high85.5Confident0 Ų030.6 Ų30.60%018%0.181CC..EExtended strand (participates in β ladder)trans-117.8129.6176.4-48.7159.1000106.5F7 L8 V10 A37 T38 I39 L65 V68 I72F7-I58 CarbonylContact C-O 3.58Å; F7-I58 WeakPolarHBondContact CA-O 3.48Å; L8-I58 HydrophobicContact CB-CB 4.4Å; L8-I58 HydrophobicContact CD2-CD1 4.23Å; L8-I58 PolarHBondContact N-O 3.39Å; L8-I58 PolarHBondContact O-N 3.22Å; V10-I58 HydrophobicContact CG2-CD1 3.84Å; A37-I58 HydrophobicContact CB-CG2 4.01Å; T38-I58 CarbonylContact O-C 3.6Å; T38-I58 WeakPolarHBondContact O-CA 3.33Å; I39-I58 HydrophobicContact CG1-CG2 4.28Å; I39-I58 HydrophobicContact CG2-CG1 4.49Å; I58-L65 HydrophobicContact CB-CD2 3.81Å; I58-L65 HydrophobicContact CG2-CD2 3.44Å; I58-L65 VanDerWaalsContact CG2-CD2 3.44Å; I58-V68 HydrophobicContact CD1-CB 4.15Å; I58-V68 HydrophobicContact CD1-CG1 3.51Å; I58-V68 HydrophobicContact CG1-CG1 3.81Å; I58-V68 HydrophobicContact CG2-CB 4.03Å; I58-V68 HydrophobicContact CG2-CG1 3.97Å; I58-V68 HydrophobicContact CG2-CG2 4.14Å; I58-I72 HydrophobicContact CD1-CD1 3.93Å
59Q88.9Confident85.9Confident48 Ų4830.5 Ų30.522%0.22418%0.18CC..EExtended strand (participates in β ladder)trans-122.4129.8176.1173.3-176.9-8.900108.8E5 Y6 F7 A37 T38E5-Q59 PolarHBondContact OE2-NE2 3.22Å; Y6-Q59 WeakPolarHBondContact O-CA 3.35Å; F7-Q59 HydrophobicContact CD1-CB 3.7Å; F7-Q59 HydrophobicContact CD1-CG 3.84Å; F7-Q59 HydrophobicContact CE1-CB 3.63Å; F7-Q59 HydrophobicContact CE1-CG 3.32Å; F7-Q59 VanDerWaalsContact CE1-OE1 3.28Å; F7-Q59 HydrophobicContact CZ-CG 3.8Å; A37-Q59 CarbonylContact C-O 3.51Å; A37-Q59 VanDerWaalsContact CA-O 3.22Å; A37-Q59 WeakPolarHBondContact CA-O 2.88Å; A37-Q59 WeakPolarHBondContact CB-O 3.26Å; T38-Q59 PolarHBondContact N-O 2.7Å; T38-Q59 PolarHBondContact O-N 3.37Å
60G88.8Confident86.8Confident5 Ų532.6 Ų32.65%0.05219%0.191CC..EExtended strand (participates in β ladder)trans164.8-161.1175.500000112.9Y6Y6-G60 PolarHBondContact N-O 3.39Å; Y6-G60 PolarHBondContact O-N 3.42Å
61T89.6Confident87.8Confident52 Ų5232.4 Ų32.432%0.31918%0.177SC..  trans-72.1160.4174.564.20000111.2E63 A64 L65T61-E63 PolarHBondContact O-N 3.28Å; T61-A64 WeakPolarHBondContact O-CB 3.26Å; T61-A64 PolarHBondContact O-N 2.91Å; T61-A64 WeakPolarHBondContact OG1-CB 3.47Å; T61-A64 PolarHBondContact OG1-N 3.45Å; T61-L65 WeakPolarHBondContact O-CG 3.24Å; T61-L65 PolarHBondContact O-N 3.21Å
62V86.4Confident88.6Confident35 Ų3531.5 Ų31.521%0.21217%0.171CC..Hα-helixtrans-53.8-40.2177.8172.80000112.1Y6 L65 N66 V170Y6-V62 HydrophobicContact CD2-CG2 3.59Å; Y6-V62 HydrophobicContact CE2-CG2 3.65Å; V62-L65 PolarHBondContact O-N 3.1Å; V62-N66 PolarHBondContact O-N 2.51Å; V62-N66 PolarHBondContact O-ND2 3.15Å; V62-V170 HydrophobicContact CB-CG1 4.33Å; V62-V170 HydrophobicContact CG1-CG1 3.79Å; V62-V170 HydrophobicContact CG2-CG1 4.26Å
63E88.9Confident88.9Confident154 Ų15428.6 Ų28.672%0.7216%0.157SC*.Hα-helixtrans-65.3-41.5178-64.8168.4177.500111.9T61 S67T61-E63 PolarHBondContact O-N 3.28Å; E63-S67 WeakPolarHBondContact O-CB 3.33Å; E63-S67 PolarHBondContact O-N 2.81Å; E63-S67 PolarHBondContact O-OG 2.8Å
64A90.3Very high88.9Confident4 Ų432.2 Ų32.23%0.03317%0.174CC..Hα-helixtrans-65.5-44175.600000111T35 A37 T61 N66 S67 V68T35-A64 VanDerWaalsContact O-CB 3.28Å; T35-A64 WeakPolarHBondContact O-CB 3.3Å; A37-A64 HydrophobicContact CB-CB 3.71Å; T61-A64 WeakPolarHBondContact O-CB 3.26Å; T61-A64 PolarHBondContact O-N 2.91Å; T61-A64 WeakPolarHBondContact OG1-CB 3.47Å; T61-A64 PolarHBondContact OG1-N 3.45Å; A64-N66 PolarHBondContact O-N 2.61Å; A64-S67 PolarHBondContact O-N 2.85Å; A64-V68 WeakPolarHBondContact O-CB 3.43Å; A64-V68 VanDerWaalsContact O-CG2 3.26Å; A64-V68 WeakPolarHBondContact O-CG2 3.47Å; A64-V68 PolarHBondContact O-N 2.9Å
65L89.3Confident88.8Confident0 Ų033.2 Ų33.20%018%0.179CC..Hα-helixtrans-58.3-47.9177.1-64.8-175.5000111.8L8 I58 T61 V62 V68 H69 V170L8-L65 HydrophobicContact CB-CB 4.49Å; L8-L65 HydrophobicContact CB-CD1 4.01Å; L8-L65 HydrophobicContact CB-CD2 3.8Å; L8-L65 HydrophobicContact CB-CG 4.3Å; L8-L65 HydrophobicContact CD2-CB 4.26Å; I58-L65 HydrophobicContact CB-CD2 3.81Å; I58-L65 HydrophobicContact CG2-CD2 3.44Å; I58-L65 VanDerWaalsContact CG2-CD2 3.44Å; T61-L65 WeakPolarHBondContact O-CG 3.24Å; T61-L65 PolarHBondContact O-N 3.21Å; V62-L65 PolarHBondContact O-N 3.1Å; L65-V68 PolarHBondContact O-N 2.82Å; L65-H69 VanDerWaalsContact O-CB 3.32Å; L65-H69 WeakPolarHBondContact O-CB 3.32Å; L65-H69 PolarHBondContact O-N 3.1Å; L65-V170 HydrophobicContact CB-CG1 4.38Å; L65-V170 HydrophobicContact CD1-CG1 3.93Å
66N89.4Confident88.5Confident31 Ų3134 Ų3417%0.16618%0.184CC..Hα-helixtrans-64.6-41.3178.3-76.5-35.6000112.1V62 A64 H69 N70V62-N66 PolarHBondContact O-N 2.51Å; V62-N66 PolarHBondContact O-ND2 3.15Å; A64-N66 PolarHBondContact O-N 2.61Å; N66-H69 PolarHBondContact O-N 2.76Å; N66-N70 WeakPolarHBondContact O-CB 3.43Å; N66-N70 PolarHBondContact O-N 2.91Å
67S90.1Very high87.9Confident62 Ų6240.3 Ų40.343%0.43421%0.207SC..Hα-helixtrans-62.4-47.9177.1-62.10000111.9E63 A64 N70 F71E63-S67 WeakPolarHBondContact O-CB 3.33Å; E63-S67 PolarHBondContact O-N 2.81Å; E63-S67 PolarHBondContact O-OG 2.8Å; A64-S67 PolarHBondContact O-N 2.85Å; S67-N70 PolarHBondContact O-N 3.49Å; S67-F71 PolarHBondContact O-N 3.45Å
68V90.8Very high87.1Confident0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-65.2-42178.1175.30000111L31 T35 A37 I39 I58 A64 L65 N70 F71 I72L31-V68 HydrophobicContact CD2-CG1 4.2Å; L31-V68 HydrophobicContact CD2-CG2 4.44Å; L31-V68 HydrophobicContact CG-CG2 4.32Å; T35-V68 HydrophobicContact CG2-CG2 3.96Å; A37-V68 HydrophobicContact CB-CG2 4.1Å; I39-V68 HydrophobicContact CD1-CB 4.36Å; I39-V68 HydrophobicContact CD1-CG1 3.58Å; I39-V68 HydrophobicContact CD1-CG2 3.73Å; I39-V68 HydrophobicContact CG1-CG1 4.1Å; I39-V68 HydrophobicContact CG1-CG2 4.3Å; I58-V68 HydrophobicContact CD1-CB 4.15Å; I58-V68 HydrophobicContact CD1-CG1 3.51Å; I58-V68 HydrophobicContact CG1-CG1 3.81Å; I58-V68 HydrophobicContact CG2-CB 4.03Å; I58-V68 HydrophobicContact CG2-CG1 3.97Å; I58-V68 HydrophobicContact CG2-CG2 4.14Å; A64-V68 WeakPolarHBondContact O-CB 3.43Å; A64-V68 VanDerWaalsContact O-CG2 3.26Å; A64-V68 WeakPolarHBondContact O-CG2 3.47Å; A64-V68 PolarHBondContact O-N 2.9Å; L65-V68 PolarHBondContact O-N 2.82Å; V68-N70 PolarHBondContact O-N 2.86Å; V68-F71 PolarHBondContact O-N 3.35Å; V68-I72 HydrophobicContact CG1-CD1 3.77Å; V68-I72 HydrophobicContact CG1-CG1 4.4Å; V68-I72 VanDerWaalsContact O-CG1 3.3Å; V68-I72 WeakPolarHBondContact O-CG1 3.44Å; V68-I72 PolarHBondContact O-N 3.29Å
69H88.9Confident85.9Confident7 Ų747.4 Ų47.43%0.03224%0.241CC..Hα-helixtrans-61-43.9175.9175.3-91.5000111.9L8 L65 N66 F71 I72 A73 V166L8-H69 HydrophobicContact CD2-CB 4.31Å; L65-H69 VanDerWaalsContact O-CB 3.32Å; L65-H69 WeakPolarHBondContact O-CB 3.32Å; L65-H69 PolarHBondContact O-N 3.1Å; N66-H69 PolarHBondContact O-N 2.76Å; H69-F71 VanDerWaalsContact C-N 3.33Å; H69-F71 PolarHBondContact O-N 2.82Å; H69-I72 PolarHBondContact O-N 2.89Å; H69-A73 WeakPolarHBondContact O-CB 3.47Å; H69-A73 PolarHBondContact O-N 3.04Å; H69-V166 HydrophobicContact CB-CG1 4.36Å; H69-V166 WeakPolarHBondContact CE1-CG2 3.31Å; H69-V166 WeakPolarHBondContact NE2-CG2 3.5Å
70N88.7Confident84.4Confident58 Ų5847.7 Ų47.731%0.3125%0.247SC..Hα-helixtrans-60.6-43.9177.5-170.459.1000111.4N66 S67 V68 I72 A73 E74N66-N70 WeakPolarHBondContact O-CB 3.43Å; N66-N70 PolarHBondContact O-N 2.91Å; S67-N70 PolarHBondContact O-N 3.49Å; V68-N70 PolarHBondContact O-N 2.86Å; N70-I72 PolarHBondContact O-N 2.78Å; N70-A73 PolarHBondContact O-N 3.38Å; N70-E74 WeakPolarHBondContact O-CB 3.34Å; N70-E74 PolarHBondContact O-N 2.97Å
71F89.6Confident82.3Confident45 Ų4553.7 Ų53.720%0.19727%0.274CS..Hα-helixtrans-61.2-44175.1-175.7-90.6000112.4T27 L31 S67 V68 H69 E74 K75T27-F71 HydrophobicContact CG2-CE1 4Å; T27-F71 HydrophobicContact CG2-CZ 3.55Å; L31-F71 HydrophobicContact CD1-CB 4.13Å; L31-F71 HydrophobicContact CD1-CD1 4.32Å; L31-F71 HydrophobicContact CD1-CD2 4.21Å; L31-F71 HydrophobicContact CD1-CG 3.96Å; L31-F71 HydrophobicContact CD2-CB 4.28Å; L31-F71 HydrophobicContact CD2-CD1 3.47Å; L31-F71 VanDerWaalsContact CD2-CD1 3.47Å; L31-F71 HydrophobicContact CD2-CE1 3.95Å; L31-F71 HydrophobicContact CD2-CG 3.93Å; L31-F71 HydrophobicContact CG-CD1 4.5Å; S67-F71 PolarHBondContact O-N 3.45Å; V68-F71 PolarHBondContact O-N 3.35Å; H69-F71 VanDerWaalsContact C-N 3.33Å; H69-F71 PolarHBondContact O-N 2.82Å; F71-E74 PolarHBondContact O-N 3.32Å; F71-K75 HydrophobicContact CD1-CG 4.09Å; F71-K75 HydrophobicContact CE1-CG 3.68Å; F71-K75 HydrophobicContact CZ-CD 4.34Å; F71-K75 HydrophobicContact CZ-CG 3.98Å; F71-K75 WeakPolarHBondContact O-CG 3.5Å; F71-K75 PolarHBondContact O-N 3.25Å
72I88.9Confident80.3Confident4 Ų455.7 Ų55.72%0.02129%0.29CS..Hα-helixtrans-61.7-47.4176.6-69.8163.9000110.5V10 I12 I20 I58 V68 H69 N70 E74 K75 V76V10-I72 HydrophobicContact CG1-CG2 4.38Å; I12-I72 HydrophobicContact CD1-CD1 3.96Å; I12-I72 HydrophobicContact CD1-CG1 4.17Å; I12-I72 HydrophobicContact CD1-CG2 3.74Å; I12-I72 HydrophobicContact CG1-CG2 4.13Å; I20-I72 HydrophobicContact CD1-CB 4.35Å; I20-I72 HydrophobicContact CD1-CG1 4.22Å; I20-I72 HydrophobicContact CD1-CG2 3.91Å; I20-I72 HydrophobicContact CG2-CG1 4.31Å; I58-I72 HydrophobicContact CD1-CD1 3.93Å; V68-I72 HydrophobicContact CG1-CD1 3.77Å; V68-I72 HydrophobicContact CG1-CG1 4.4Å; V68-I72 VanDerWaalsContact O-CG1 3.3Å; V68-I72 WeakPolarHBondContact O-CG1 3.44Å; V68-I72 PolarHBondContact O-N 3.29Å; H69-I72 PolarHBondContact O-N 2.89Å; N70-I72 PolarHBondContact O-N 2.78Å; I72-E74 VanDerWaalsContact C-N 3.3Å; I72-E74 PolarHBondContact O-N 3.25Å; I72-K75 PolarHBondContact O-N 2.82Å; I72-V76 HydrophobicContact CG2-CG2 4.17Å; I72-V76 WeakPolarHBondContact O-CB 3.4Å; I72-V76 WeakPolarHBondContact O-CG2 3.32Å; I72-V76 PolarHBondContact O-N 3.11Å
73A84.9Confident78.4Confident40 Ų4058.4 Ų58.433%0.33132%0.316SS..Hα-helixtrans-60.2-41179.700000111.7H69 N70 V76 R77H69-A73 WeakPolarHBondContact O-CB 3.47Å; H69-A73 PolarHBondContact O-N 3.04Å; N70-A73 PolarHBondContact O-N 3.38Å; A73-V76 PolarHBondContact O-N 2.87Å; A73-R77 WeakPolarHBondContact O-CB 3.41Å; A73-R77 PolarHBondContact O-N 3.28Å; A73-R77 VanDerWaalsContact O-N 3.09Å
74E84.8Confident76.1Confident99 Ų9957.8 Ų57.846%0.46331%0.313SS..Hα-helixtrans-62.9-47.9174.5-170.6170-158.400111.5N70 F71 I72 V76 R77 E78N70-E74 WeakPolarHBondContact O-CB 3.34Å; N70-E74 PolarHBondContact O-N 2.97Å; F71-E74 PolarHBondContact O-N 3.32Å; I72-E74 VanDerWaalsContact C-N 3.3Å; I72-E74 PolarHBondContact O-N 3.25Å; E74-V76 VanDerWaalsContact C-N 3.34Å; E74-V76 PolarHBondContact O-N 3.44Å; E74-R77 CarbonylContact O-C 3.53Å; E74-R77 WeakPolarHBondContact O-CA 3.43Å; E74-R77 PolarHBondContact O-N 2.68Å; E74-E78 HydrophobicContact CG-CG 4.46Å; E74-E78 WeakPolarHBondContact O-CG 3.33Å; E74-E78 PolarHBondContact O-N 3.09Å
75K85.3Confident73.4Confident43 Ų4365.2 Ų65.219%0.18735%0.345CS..Hα-helixtrans-64.3-35177.2-68.3-51.3178.5-166.60114.1I20 F71 I72 R77 E78I20-K75 HydrophobicContact CD1-CB 4.32Å; I20-K75 HydrophobicContact CG1-CB 3.63Å; I20-K75 HydrophobicContact CG1-CG 4.07Å; F71-K75 HydrophobicContact CD1-CG 4.09Å; F71-K75 HydrophobicContact CE1-CG 3.68Å; F71-K75 HydrophobicContact CZ-CD 4.34Å; F71-K75 HydrophobicContact CZ-CG 3.98Å; F71-K75 WeakPolarHBondContact O-CG 3.5Å; F71-K75 PolarHBondContact O-N 3.25Å; I72-K75 PolarHBondContact O-N 2.82Å; K75-R77 VanDerWaalsContact C-N 3.26Å; K75-R77 PolarHBondContact O-N 2.82Å; K75-E78 WeakPolarHBondContact CD-OE2 3.45Å; K75-E78 IonicContact NZ-OE2 3.03Å; K75-E78 PolarHBondContact NZ-OE2 3.25Å
76V83.6Confident71.4Confident17 Ų1771.2 Ų71.210%0.10338%0.384CS..Hα-helixtrans-65.5-32.5173.4173.60000110.9P13 A16 I72 A73 E74 P80P13-V76 HydrophobicContact CG-CG1 4.29Å; A16-V76 HydrophobicContact CB-CB 4.19Å; A16-V76 HydrophobicContact CB-CG2 3.54Å; I72-V76 HydrophobicContact CG2-CG2 4.17Å; I72-V76 WeakPolarHBondContact O-CB 3.4Å; I72-V76 WeakPolarHBondContact O-CG2 3.32Å; I72-V76 PolarHBondContact O-N 3.11Å; A73-V76 PolarHBondContact O-N 2.87Å; E74-V76 VanDerWaalsContact C-N 3.34Å; E74-V76 PolarHBondContact O-N 3.44Å; V76-P80 WeakPolarHBondContact O-CD 3.19Å
77R76.8Confident68.7Low133 Ų13376.3 Ų76.350%0.50241%0.407SS..Hα-helixtrans-84.7-26.4179-176.4-179.2178.9-1724.8114.9A73 E74 K75 P80A73-R77 WeakPolarHBondContact O-CB 3.41Å; A73-R77 PolarHBondContact O-N 3.28Å; A73-R77 VanDerWaalsContact O-N 3.09Å; E74-R77 CarbonylContact O-C 3.53Å; E74-R77 WeakPolarHBondContact O-CA 3.43Å; E74-R77 PolarHBondContact O-N 2.68Å; K75-R77 VanDerWaalsContact C-N 3.26Å; K75-R77 PolarHBondContact O-N 2.82Å; R77-P80 WeakPolarHBondContact O-CD 3.43Å; R77-P80 VanDerWaalsContact O-CG 3.22Å; R77-P80 WeakPolarHBondContact O-CG 3.4Å
78E74.4Confident66.7Low88 Ų8878.8 Ų78.841%0.41142%0.421SS..Hα-helixtrans-76-31.6179.4-75.8-173.7145.200113.2E74 K75 S82E74-E78 HydrophobicContact CG-CG 4.46Å; E74-E78 WeakPolarHBondContact O-CG 3.33Å; E74-E78 PolarHBondContact O-N 3.09Å; K75-E78 WeakPolarHBondContact CD-OE2 3.45Å; K75-E78 IonicContact NZ-OE2 3.03Å; K75-E78 PolarHBondContact NZ-OE2 3.25Å; E78-S82 PolarHBondContact O-N 2.93Å; E78-S82 PolarHBondContact O-OG 3.34Å
79M65.1Low64.6Low71 Ų7185 Ų8535%0.3546%0.458SS..THydrogen-bonded Turntrans-76.5-18.3-179.2-84.3-171.87900119.7Y15 S19 Q81Y15-M79 HydrophobicContact CD2-CB 4.21Å; Y15-M79 WeakPolarHBondContact O-CE 3.48Å; S19-M79 VanDerWaalsContact CB-SD 3.52Å; M79-Q81 VanDerWaalsContact C-N 3.3Å
80P57.1Low62Low54 Ų5490.4 Ų90.435%0.35150%0.498SS..THydrogen-bonded Turntrans-77.4-13.6169.628.3-20.6000112.6V76 R77 V103V76-P80 WeakPolarHBondContact O-CD 3.19Å; R77-P80 WeakPolarHBondContact O-CD 3.43Å; R77-P80 VanDerWaalsContact O-CG 3.22Å; R77-P80 WeakPolarHBondContact O-CG 3.4Å; P80-V103 HydrophobicContact CB-CG1 3.84Å; P80-V103 HydrophobicContact CG-CG1 3.38Å
81Q46.3Very low60.2Low130 Ų13095.1 Ų95.161%0.60752%0.521SS*.THydrogen-bonded Turntrans-106.9-17.8-179.7-74-164.6-44.300114.7M79 A83 Q84M79-Q81 VanDerWaalsContact C-N 3.3Å; Q81-A83 PolarHBondContact O-N 3.15Å; Q81-A83 VanDerWaalsContact O-N 3.09Å; Q81-Q84 PolarHBondContact O-N 3.12Å
82S46.3Very low58.5Low94 Ų94100.7 Ų100.766%0.65755%0.552SS**THydrogen-bonded Turntrans-73.72.7177.814.90000114.1E78 Q84E78-S82 PolarHBondContact O-N 2.93Å; E78-S82 PolarHBondContact O-OG 3.34Å; S82-Q84 VanDerWaalsContact C-N 3.34Å
83A46.8Very low56.4Low93 Ų93108.8 Ų108.877%0.76959%0.59SS**THydrogen-bonded Turntrans-88.68.6161.600000113.5Q81Q81-A83 PolarHBondContact O-N 3.15Å; Q81-A83 VanDerWaalsContact O-N 3.09Å
84Q41.1Very low54.4Low141 Ų141112.8 Ų112.866%0.65961%0.612SS**  trans-118.586.4173.4-73.1-173.5-22.600111Q81 S82Q81-Q84 PolarHBondContact O-N 3.12Å; S82-Q84 VanDerWaalsContact C-N 3.34Å
85K34.2Very low52.2Low160 Ų160115.8 Ų115.870%0.69663%0.626SS**  trans-81.8126.3143.7-163.1-174.7178.5-140.80106.1E87K85-E87 IonicContact NZ-OE1 2.82Å; K85-E87 PolarHBondContact NZ-OE1 2.99Å; K85-E87 PolarHBondContact O-N 2.77Å
86P45.9Very low50.3Low125 Ų125119.7 Ų119.781%0.81265%0.654SS**  trans-77.489.5178.930.4-30.1000108.7
87E32.3Very low48.4Very low139 Ų139124.4 Ų124.465%0.6568%0.683SS**  trans-96.7127.2162-63.5-96.9155.200106.8K85K85-E87 IonicContact NZ-OE1 2.82Å; K85-E87 PolarHBondContact NZ-OE1 2.99Å; K85-E87 PolarHBondContact O-N 2.77Å
88P48.7Very low46.8Very low113 Ų113122.7 Ų122.773%0.73469%0.687SS**  trans-78.2133.517933.2-31.1000109.5
89V46.2Very low45.4Very low130 Ų130123.1 Ų123.179%0.78869%0.692SS**  trans79.289.5161-154.20000118
90S34.9Very low44.8Very low122 Ų122124.1 Ų124.185%0.85370%0.704SS**  trans-160.597.4131.8-86.20000109.9L92S90-L92 PolarHBondContact O-N 2.7Å
91I51.2Low44.7Very low157 Ų157126.2 Ų126.281%0.80571%0.712SS**  trans-69.6114.9171.332.7168.7000108.5
92L53.4Low45.1Very low162 Ų162126 Ų12685%0.84871%0.706SS**  trans15571.8150.5-79160.5000110.9S90S90-L92 PolarHBondContact O-N 2.7Å
93Q44.6Very low45.6Very low173 Ų173122.9 Ų122.981%0.80868%0.683SS**SBendtrans-131.7138155.9-121.483.778.300107.1Q95Q93-Q95 VanDerWaalsContact C-N 3.34Å; Q93-Q95 PolarHBondContact O-N 3.31Å
94P43.3Very low46.6Very low124 Ų124123.5 Ų123.581%0.80567%0.668SS**  trans-69.396.9174.628.3-29.7000107.7T96P94-T96 VanDerWaalsContact C-N 3.34Å; P94-T96 PolarHBondContact O-N 2.97Å
95Q38.3Very low48.3Very low162 Ų162118.4 Ų118.476%0.75765%0.645SS**  trans-58.9104.3162.3-79.1-178.8-57.400106.4Q93 T97Q93-Q95 VanDerWaalsContact C-N 3.34Å; Q93-Q95 PolarHBondContact O-N 3.31Å; Q95-T97 PolarHBondContact O-N 2.94Å
96T45.3Very low50.6Low125 Ų125111.4 Ų111.477%0.76762%0.617SS**  trans-51.2100.5152-53.70000105.3P94 V98P94-T96 VanDerWaalsContact C-N 3.34Å; P94-T96 PolarHBondContact O-N 2.97Å; T96-V98 WeakPolarHBondContact O-CG2 3.26Å; T96-V98 PolarHBondContact O-N 2.97Å
97T43.8Very low52.6Low117 Ų117106.3 Ų106.372%0.71858%0.582SS**  trans-68.381.8172.545.40000106.2Q95 N99Q95-T97 PolarHBondContact O-N 2.94Å; T97-N99 VanDerWaalsContact C-N 3.33Å; T97-N99 PolarHBondContact O-N 3.44Å
98V44.1Very low55.4Low97 Ų9799.7 Ų99.759%0.58855%0.551SS**  trans-51.2107.6159.8-116.50000104.6T96 P100 V103T96-V98 WeakPolarHBondContact O-CG2 3.26Å; T96-V98 PolarHBondContact O-N 2.97Å; V98-P100 WeakPolarHBondContact O-CD 3.43Å; V98-V103 HydrophobicContact CB-CG2 4.48Å
99N45.3Very low57.2Low96 Ų9694.6 Ų94.651%0.51352%0.517SS..  trans-47.1121.6173.3-86.6-61.5000107.1T97 D101 R102T97-N99 VanDerWaalsContact C-N 3.33Å; T97-N99 PolarHBondContact O-N 3.44Å; N99-D101 PolarHBondContact O-N 2.98Å; N99-R102 HydrophobicContact CB-CG 4.25Å; N99-R102 PolarHBondContact O-N 3.43Å
100P52.2Low59.2Low93 Ų9388.4 Ų88.460%0.60448%0.479SS*.THydrogen-bonded Turntrans-59.4-17.6-175.521.6-32.1000112.4V98V98-P100 WeakPolarHBondContact O-CD 3.43Å
101D54Low61.6Low97 Ų9783.3 Ų83.352%0.51944%0.443SS..THydrogen-bonded Turntrans-66.6-38172.3-123.4-96.4000113.6N99 V103 K104 Q105 S156N99-D101 PolarHBondContact O-N 2.98Å; D101-V103 VanDerWaalsContact C-N 3.26Å; D101-V103 PolarHBondContact O-N 3.39Å; D101-K104 PolarHBondContact O-N 3.01Å; D101-Q105 WeakPolarHBondContact O-CG 3.4Å; D101-Q105 PolarHBondContact O-NE2 3.49Å; D101-S156 PolarHBondContact OD1-OG 3.42Å
102R54.6Low63.1Low125 Ų12578 Ų7847%0.47242%0.417SS..G310 helixtrans-70.2-25-177.8-69.6-173.5177.3-173-1113.1N99 K104N99-R102 HydrophobicContact CB-CG 4.25Å; N99-R102 PolarHBondContact O-N 3.43Å; R102-K104 VanDerWaalsContact C-N 3.3Å
103V57.1Low64.6Low29 Ų2972.5 Ų72.518%0.17639%0.392CS..G310 helixtrans-77.9-22.5-179.4-168.90000111.3P80 V98 D101P80-V103 HydrophobicContact CB-CG1 3.84Å; P80-V103 HydrophobicContact CG-CG1 3.38Å; V98-V103 HydrophobicContact CB-CG2 4.48Å; D101-V103 VanDerWaalsContact C-N 3.26Å; D101-V103 PolarHBondContact O-N 3.39Å
104K67.9Low66.6Low106 Ų10664.3 Ų64.346%0.46135%0.354SS..G310 helixtrans-98.39.6-178.8-61-178.6-176.8-177.40112.9D101 R102 N162D101-K104 PolarHBondContact O-N 3.01Å; R102-K104 VanDerWaalsContact C-N 3.3Å; K104-N162 PolarHBondContact O-ND2 3.15Å
105Q76Confident68.6Low35 Ų3558.4 Ų58.416%0.16432%0.315CS..EExtended strand (participates in β ladder)trans-96.5123.5-178.3-76.5170.714.300111D101 I155 S156D101-Q105 WeakPolarHBondContact O-CG 3.4Å; D101-Q105 PolarHBondContact O-NE2 3.49Å; Q105-I155 CarbonylContact C-O 3.5Å; Q105-I155 WeakPolarHBondContact CA-O 3.5Å; Q105-S156 WeakPolarHBondContact CG-OG 3.32Å; Q105-S156 PolarHBondContact NE2-OG 3.49Å; Q105-S156 VanDerWaalsContact NE2-OG 3.15Å
106A84Confident70.9Confident13 Ų1352.6 Ų52.611%0.10730%0.299CS..EExtended strand (participates in β ladder)trans-92137.2169.500000109.4I155A106-I155 HydrophobicContact CB-CB 4.35Å; A106-I155 PolarHBondContact N-O 3Å; A106-I155 PolarHBondContact O-N 2.97Å
107K87.9Confident72.9Confident18 Ų1850 Ų508%0.07828%0.28CS..EExtended strand (participates in β ladder)trans-124.2118179.6-72.3174.5-179.1173.20109.8L11 E53 V152 V153 T154L11-K107 HydrophobicContact CB-CB 3.78Å; L11-K107 HydrophobicContact CD1-CB 4.12Å; L11-K107 HydrophobicContact CD1-CD 4.35Å; L11-K107 HydrophobicContact CG-CB 4.42Å; L11-K107 PolarHBondContact N-O 2.86Å; E53-K107 WeakPolarHBondContact OE1-CD 3.35Å; E53-K107 IonicContact OE1-NZ 3.58Å; E53-K107 PolarHBondContact OE1-NZ 3.4Å; E53-K107 WeakPolarHBondContact OE2-CD 3.25Å; E53-K107 IonicContact OE2-NZ 2.76Å; E53-K107 PolarHBondContact OE2-NZ 2.66Å; K107-V152 HydrophobicContact CB-CG1 4.3Å; K107-V153 CarbonylContact C-O 3.11Å; K107-V153 VanDerWaalsContact CA-O 3.32Å; K107-V153 WeakPolarHBondContact CA-O 3.43Å; K107-T154 HydrophobicContact CG-CG2 4.31Å
108L89.6Confident75.1Confident0 Ų044.4 Ų44.40%025%0.246CC..EExtended strand (participates in β ladder)trans-109147.8179.1-53.1178.8000109.4L8 K9 V10 V152 V153 I155 V166 I169L8-L108 HydrophobicContact CD1-CD2 4.34Å; K9-L108 WeakPolarHBondContact O-CA 3.45Å; V10-L108 HydrophobicContact CB-CD2 4.42Å; V10-L108 HydrophobicContact CG1-CD2 4.21Å; V10-L108 HydrophobicContact CG2-CD2 3.85Å; L108-V152 CarbonylContact O-C 3.44Å; L108-V152 WeakPolarHBondContact O-CA 3.21Å; L108-V153 HydrophobicContact CB-CB 4.35Å; L108-V153 PolarHBondContact N-O 2.95Å; L108-V153 PolarHBondContact O-N 3.03Å; L108-I155 HydrophobicContact CD1-CD1 3.81Å; L108-I155 HydrophobicContact CG-CD1 4.24Å; L108-V166 HydrophobicContact CD1-CB 4.44Å; L108-V166 HydrophobicContact CD1-CG1 4.12Å; L108-V166 HydrophobicContact CD1-CG2 3.84Å; L108-I169 HydrophobicContact CD1-CD1 4.26Å; L108-I169 HydrophobicContact CD1-CG2 4.03Å
109I87.9Confident77.3Confident5 Ų542 Ų423%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-107.6127169.7-59.7155.2000107.3K9 L11 Y48 V55 E150 R151 V152K9-I109 HydrophobicContact CB-CB 3.71Å; K9-I109 HydrophobicContact CB-CD1 4.28Å; K9-I109 HydrophobicContact CB-CG2 4.45Å; K9-I109 HydrophobicContact CD-CB 4.19Å; K9-I109 HydrophobicContact CD-CG2 4.06Å; K9-I109 PolarHBondContact O-N 2.86Å; L11-I109 HydrophobicContact CD1-CD1 4.46Å; L11-I109 HydrophobicContact CD1-CG1 4.27Å; L11-I109 HydrophobicContact CD2-CD1 3.61Å; L11-I109 HydrophobicContact CD2-CG1 4.29Å; L11-I109 HydrophobicContact CG-CD1 3.76Å; L11-I109 HydrophobicContact CG-CG1 3.91Å; Y48-I109 HydrophobicContact CD2-CD1 3.56Å; Y48-I109 HydrophobicContact CD2-CG1 4.32Å; Y48-I109 HydrophobicContact CE2-CD1 3.72Å; Y48-I109 HydrophobicContact CE2-CG1 4.08Å; Y48-I109 HydrophobicContact CE2-CG2 4.28Å; Y48-I109 HydrophobicContact CG-CD1 4.27Å; V55-I109 HydrophobicContact CG1-CD1 4Å; V55-I109 HydrophobicContact CG2-CD1 3.91Å; I109-E150 HydrophobicContact CG2-CB 3.75Å; I109-E150 HydrophobicContact CG2-CG 3.63Å; I109-E150 VanDerWaalsContact CG2-OE2 3.3Å; I109-E150 WeakPolarHBondContact CG2-OE2 3.42Å; I109-R151 WeakPolarHBondContact CA-O 3.44Å; I109-V152 HydrophobicContact CG1-CG2 4.29Å
110V87.4Confident79.2Confident0 Ų038.4 Ų38.40%022%0.215CC..EExtended strand (participates in β ladder)trans-129.8147.9179.2-57.90000110.4A115 I118 E150 R151 V153 I173V110-A115 HydrophobicContact CG2-CB 3.92Å; V110-I118 HydrophobicContact CB-CD1 4.43Å; V110-I118 HydrophobicContact CG1-CD1 4.19Å; V110-I118 HydrophobicContact CG2-CD1 4.08Å; V110-E150 CarbonylContact O-C 3.52Å; V110-E150 VanDerWaalsContact O-CA 3.22Å; V110-E150 WeakPolarHBondContact O-CA 3.2Å; V110-E150 WeakPolarHBondContact O-CB 3.11Å; V110-R151 PolarHBondContact N-O 3.36Å; V110-R151 PolarHBondContact O-N 2.9Å; V110-V153 HydrophobicContact CB-CG2 4.46Å; V110-V153 HydrophobicContact CG1-CG2 4.1Å; V110-V153 HydrophobicContact CG2-CG2 3.53Å; V110-I173 HydrophobicContact CG1-CD1 4.17Å
111P85.3Confident80.9Confident15 Ų1543.6 Ų43.610%0.09723%0.228CC..EExtended strand (participates in β ladder)trans-56.9156.8172.8-23.933.8000112.6S113 T114 A115 Q149 C182P111-S113 VanDerWaalsContact C-N 3.26Å; P111-S113 PolarHBondContact O-N 2.82Å; P111-T114 WeakPolarHBondContact CD-OG1 3.41Å; P111-T114 PolarHBondContact O-N 2.79Å; P111-A115 WeakPolarHBondContact O-CB 3.3Å; P111-A115 PolarHBondContact O-N 2.94Å; P111-Q149 CarbonylContact C-O 3.3Å; P111-Q149 WeakPolarHBondContact CA-O 3.41Å; P111-C182 HydrophobicContact CG-CB 4.09Å
112N83.4Confident82.4Confident46 Ų4643 Ų4325%0.24625%0.245CC..Hα-helixtrans-58.9-37.5177-79.2-28.9000112.6A115 G116 L148 Q149 R151N112-A115 PolarHBondContact O-N 3.32Å; N112-G116 PolarHBondContact O-N 2.91Å; N112-L148 PolarHBondContact ND2-O 3.33Å; N112-L148 VanDerWaalsContact ND2-O 3.07Å; N112-Q149 PolarHBondContact N-O 3.25Å; N112-Q149 WeakPolarHBondContact ND2-CA 3.39Å; N112-R151 WeakPolarHBondContact OD1-CD 3.44Å; N112-R151 WeakPolarHBondContact OD1-CG 3.11Å
113S84.9Confident83.9Confident47 Ų4737.7 Ų37.733%0.32923%0.228SC..Hα-helixtrans-61-51.1176.5-54.90000110.8P111 A115 G116 L117 D176 Q178P111-S113 VanDerWaalsContact C-N 3.26Å; P111-S113 PolarHBondContact O-N 2.82Å; S113-A115 PolarHBondContact O-N 3.49Å; S113-G116 WeakPolarHBondContact O-CA 3.43Å; S113-G116 PolarHBondContact O-N 3.22Å; S113-G116 VanDerWaalsContact O-N 3.12Å; S113-L117 PolarHBondContact O-N 2.82Å; S113-L117 VanDerWaalsContact O-N 3.15Å; S113-D176 WeakPolarHBondContact CB-OD2 3.47Å; S113-Q178 PolarHBondContact OG-OE1 2.86Å
114T85.8Confident85.5Confident0 Ų039.1 Ų39.10%024%0.244CC..Hα-helixtrans-65.9-39178-34.20000112.6P111 G116 L117 I118 I173 D176 S179P111-T114 WeakPolarHBondContact CD-OG1 3.41Å; P111-T114 PolarHBondContact O-N 2.79Å; T114-G116 VanDerWaalsContact C-N 3.26Å; T114-G116 PolarHBondContact O-N 2.86Å; T114-L117 WeakPolarHBondContact O-CB 3.42Å; T114-L117 PolarHBondContact O-N 3.24Å; T114-L117 VanDerWaalsContact O-N 3.11Å; T114-I118 HydrophobicContact CG2-CD1 4.14Å; T114-I118 VanDerWaalsContact O-CG1 3.27Å; T114-I118 WeakPolarHBondContact O-CG1 3.41Å; T114-I118 PolarHBondContact O-N 2.94Å; T114-I173 HydrophobicContact CG2-CB 4.19Å; T114-I173 HydrophobicContact CG2-CG1 3.63Å; T114-D176 WeakPolarHBondContact CA-OD2 3.5Å; T114-D176 WeakPolarHBondContact CB-OD2 3.45Å; T114-D176 HydrophobicContact CG2-CB 4.29Å; T114-D176 PolarHBondContact N-OD2 2.89Å; T114-D176 VanDerWaalsContact N-OD2 3.09Å; T114-D176 PolarHBondContact OG1-OD2 2.91Å; T114-S179 PolarHBondContact OG1-OG 3.09Å
115A86Confident86.7Confident0 Ų036 Ų360%023%0.233CC..Hα-helixtrans-58.1-40172.400000111.5V110 P111 N112 S113 L117 I118 I119 L139 R151V110-A115 HydrophobicContact CG2-CB 3.92Å; P111-A115 WeakPolarHBondContact O-CB 3.3Å; P111-A115 PolarHBondContact O-N 2.94Å; N112-A115 PolarHBondContact O-N 3.32Å; S113-A115 PolarHBondContact O-N 3.49Å; A115-L117 VanDerWaalsContact C-N 3.34Å; A115-I118 PolarHBondContact O-N 2.82Å; A115-I119 WeakPolarHBondContact O-CB 3.2Å; A115-I119 WeakPolarHBondContact O-CD1 3.13Å; A115-I119 WeakPolarHBondContact O-CG1 3.22Å; A115-I119 PolarHBondContact O-N 2.86Å; A115-L139 HydrophobicContact CB-CD2 3.9Å; A115-R151 HydrophobicContact CB-CB 4.47Å
116G87.3Confident87.4Confident41 Ų4135.1 Ų35.142%0.42323%0.23SC..Hα-helixtrans-61-41.5174.300000112.6N112 S113 T114 G120N112-G116 PolarHBondContact O-N 2.91Å; S113-G116 WeakPolarHBondContact O-CA 3.43Å; S113-G116 PolarHBondContact O-N 3.22Å; S113-G116 VanDerWaalsContact O-N 3.12Å; T114-G116 VanDerWaalsContact C-N 3.26Å; T114-G116 PolarHBondContact O-N 2.86Å; G116-G120 PolarHBondContact O-N 3.45Å
117L87.1Confident87.7Confident69 Ų6941 Ų4136%0.36125%0.253SS..Hα-helixtrans-67.9-42.3175.9-77.9158.4000112.7S113 T114 A115 G120 D176S113-L117 PolarHBondContact O-N 2.82Å; S113-L117 VanDerWaalsContact O-N 3.15Å; T114-L117 WeakPolarHBondContact O-CB 3.42Å; T114-L117 PolarHBondContact O-N 3.24Å; T114-L117 VanDerWaalsContact O-N 3.11Å; A115-L117 VanDerWaalsContact C-N 3.34Å; L117-G120 PolarHBondContact O-N 3.33Å; L117-D176 HydrophobicContact CD1-CB 3.48Å; L117-D176 VanDerWaalsContact CD1-CB 3.48Å
118I89.2Confident87.9Confident0 Ų041.8 Ų41.80%026%0.263CS..Hα-helixtrans-63-42.1176.6-66.3160.7000110.7V110 T114 A115 T125 V126 L139 I169 K172V110-I118 HydrophobicContact CB-CD1 4.43Å; V110-I118 HydrophobicContact CG1-CD1 4.19Å; V110-I118 HydrophobicContact CG2-CD1 4.08Å; T114-I118 HydrophobicContact CG2-CD1 4.14Å; T114-I118 VanDerWaalsContact O-CG1 3.27Å; T114-I118 WeakPolarHBondContact O-CG1 3.41Å; T114-I118 PolarHBondContact O-N 2.94Å; A115-I118 PolarHBondContact O-N 2.82Å; I118-T125 CarbonylContact O-C 3.56Å; I118-T125 VanDerWaalsContact O-CB 3.3Å; I118-T125 WeakPolarHBondContact O-CB 3.46Å; I118-T125 WeakPolarHBondContact O-CG2 3.27Å; I118-V126 WeakPolarHBondContact O-CA 3.19Å; I118-V126 WeakPolarHBondContact O-CB 3.49Å; I118-V126 PolarHBondContact O-N 3.48Å; I118-L139 HydrophobicContact CG2-CD1 4.46Å; I118-I169 HydrophobicContact CD1-CG2 3.82Å; I118-K172 HydrophobicContact CG1-CB 3.9Å; I118-K172 HydrophobicContact CG1-CG 4.48Å
119I89.5Confident88Confident47 Ų4741.9 Ų41.924%0.24126%0.264CS..Hα-helixtrans-66.2-48175.1-64.5163.8000109.9A115 G123 A124 T125 V126 L139A115-I119 WeakPolarHBondContact O-CB 3.2Å; A115-I119 WeakPolarHBondContact O-CD1 3.13Å; A115-I119 WeakPolarHBondContact O-CG1 3.22Å; A115-I119 PolarHBondContact O-N 2.86Å; I119-G123 CarbonylContact O-C 3.59Å; I119-G123 WeakPolarHBondContact O-CA 3.45Å; I119-A124 PolarHBondContact O-N 2.94Å; I119-T125 PolarHBondContact O-N 3.45Å; I119-V126 PolarHBondContact O-N 3.48Å; I119-L139 HydrophobicContact CD1-CD2 4.01Å; I119-L139 HydrophobicContact CG1-CD1 4.27Å; I119-L139 HydrophobicContact CG1-CD2 3.85Å
120G86.4Confident88.1Confident20 Ų2043.8 Ų43.821%0.20627%0.273CS..  trans70.9175.3-174.300000113.4G116 L117 G122 G123 T125G116-G120 PolarHBondContact O-N 3.45Å; L117-G120 PolarHBondContact O-N 3.33Å; G120-G122 PolarHBondContact O-N 3.48Å; G120-G122 VanDerWaalsContact O-N 3.11Å; G120-G123 PolarHBondContact O-N 3.07Å; G120-T125 WeakPolarHBondContact CA-OG1 3.23Å
121K88.6Confident88.3Confident203 Ų20351.8 Ų51.888%0.88331%0.311SS*.G310 helixtrans-61.3116.5178.9-65.4178.7-177.6176.20109.7G123 A124K121-G123 VanDerWaalsContact C-N 3.26Å; K121-G123 PolarHBondContact O-N 3.34Å; K121-A124 WeakPolarHBondContact O-CB 3.44Å; K121-A124 PolarHBondContact O-N 3.07Å
122G85.1Confident88.7Confident84 Ų8456.5 Ų56.587%0.86633%0.331SS*.G310 helixtrans66.919.4179.900000115.3G120 A124G120-G122 PolarHBondContact O-N 3.48Å; G120-G122 VanDerWaalsContact O-N 3.11Å; G122-A124 VanDerWaalsContact C-N 3.3Å; G122-A124 PolarHBondContact O-N 2.93Å
123G86.4Confident89Confident13 Ų1354.7 Ų54.713%0.13432%0.322CS..G310 helixtrans77.112.7-177.300000114.3I119 G120 K121 V126 K127I119-G123 CarbonylContact O-C 3.59Å; I119-G123 WeakPolarHBondContact O-CA 3.45Å; G120-G123 PolarHBondContact O-N 3.07Å; K121-G123 VanDerWaalsContact C-N 3.26Å; K121-G123 PolarHBondContact O-N 3.34Å; G123-V126 VanDerWaalsContact O-CG1 3.3Å; G123-V126 WeakPolarHBondContact O-CG1 3.47Å; G123-K127 WeakPolarHBondContact O-CB 3.41Å; G123-K127 VanDerWaalsContact O-CG 3.31Å; G123-K127 WeakPolarHBondContact O-CG 3.33Å; G123-K127 PolarHBondContact O-N 3.35Å; G123-K127 VanDerWaalsContact O-N 3.13Å
124A90.9Very high89.2Confident60 Ų6054.5 Ų54.550%0.49633%0.328SS..Hα-helixtrans-64-41.5-177.300000112.6I119 K121 G122 K127 A128I119-A124 PolarHBondContact O-N 2.94Å; K121-A124 WeakPolarHBondContact O-CB 3.44Å; K121-A124 PolarHBondContact O-N 3.07Å; G122-A124 VanDerWaalsContact C-N 3.3Å; G122-A124 PolarHBondContact O-N 2.93Å; A124-K127 PolarHBondContact O-N 2.86Å; A124-A128 PolarHBondContact O-N 2.81Å
125T91.4Very high89.3Confident40 Ų4054.6 Ų54.625%0.24533%0.329CS..Hα-helixtrans-67-48.8-179.2-53.50000110.7I118 I119 G120 K127 A128 V129 K172I118-T125 CarbonylContact O-C 3.56Å; I118-T125 VanDerWaalsContact O-CB 3.3Å; I118-T125 WeakPolarHBondContact O-CB 3.46Å; I118-T125 WeakPolarHBondContact O-CG2 3.27Å; I119-T125 PolarHBondContact O-N 3.45Å; G120-T125 WeakPolarHBondContact CA-OG1 3.23Å; T125-K127 VanDerWaalsContact C-N 3.27Å; T125-K127 PolarHBondContact O-N 3.37Å; T125-A128 WeakPolarHBondContact O-CA 3.49Å; T125-A128 WeakPolarHBondContact O-CB 3.42Å; T125-A128 PolarHBondContact O-N 3Å; T125-V129 HydrophobicContact CG2-CG2 4.48Å; T125-V129 VanDerWaalsContact O-CG2 3.32Å; T125-V129 WeakPolarHBondContact O-CG2 3.37Å; T125-V129 PolarHBondContact O-N 2.78Å; T125-K172 HydrophobicContact CG2-CD 4.31Å
126V91Very high89.5Confident16 Ų1662.3 Ų62.310%0.09736%0.358CS..Hα-helixtrans-64-33.6-179.766.20000111.8I118 I119 G123 V129 M130 V137 L139I118-V126 WeakPolarHBondContact O-CA 3.19Å; I118-V126 WeakPolarHBondContact O-CB 3.49Å; I118-V126 PolarHBondContact O-N 3.48Å; I119-V126 PolarHBondContact O-N 3.48Å; G123-V126 VanDerWaalsContact O-CG1 3.3Å; G123-V126 WeakPolarHBondContact O-CG1 3.47Å; V126-V129 PolarHBondContact O-N 3.01Å; V126-M130 HydrophobicContact CG1-CE 4.47Å; V126-M130 HydrophobicContact CG2-CE 4.18Å; V126-M130 WeakPolarHBondContact O-CG 3.49Å; V126-M130 PolarHBondContact O-N 3.11Å; V126-V137 HydrophobicContact CG2-CB 4.25Å; V126-V137 HydrophobicContact CG2-CG1 4.12Å; V126-L139 HydrophobicContact CG2-CD1 4.05Å
127K90.8Very high89.6Confident136 Ų13660.7 Ų60.759%0.59134%0.34SS*.Hα-helixtrans-61.7-45.9170.6-77.6178.8178.4-177.60112.1G123 A124 T125 V129 M130 E131G123-K127 WeakPolarHBondContact O-CB 3.41Å; G123-K127 VanDerWaalsContact O-CG 3.31Å; G123-K127 WeakPolarHBondContact O-CG 3.33Å; G123-K127 PolarHBondContact O-N 3.35Å; G123-K127 VanDerWaalsContact O-N 3.13Å; A124-K127 PolarHBondContact O-N 2.86Å; T125-K127 VanDerWaalsContact C-N 3.27Å; T125-K127 PolarHBondContact O-N 3.37Å; K127-V129 VanDerWaalsContact C-N 3.32Å; K127-V129 PolarHBondContact O-N 2.98Å; K127-M130 HydrophobicContact CG-CE 4.29Å; K127-M130 PolarHBondContact O-N 3.14Å; K127-E131 WeakPolarHBondContact O-CB 3.42Å; K127-E131 PolarHBondContact O-N 3.42Å
128A92.1Very high89.5Confident35 Ų3561.3 Ų61.329%0.28934%0.341SS..Hα-helixtrans-63-38.4175.700000112A124 T125 E131 Q132A124-A128 PolarHBondContact O-N 2.81Å; T125-A128 WeakPolarHBondContact O-CA 3.49Å; T125-A128 WeakPolarHBondContact O-CB 3.42Å; T125-A128 PolarHBondContact O-N 3Å; A128-E131 PolarHBondContact O-N 3.4Å; A128-Q132 VanDerWaalsContact O-CB 3.32Å; A128-Q132 WeakPolarHBondContact O-CB 3.04Å; A128-Q132 VanDerWaalsContact O-CG 3.22Å; A128-Q132 WeakPolarHBondContact O-CG 3.42Å; A128-Q132 PolarHBondContact O-N 2.97Å
129V91.4Very high89.4Confident3 Ų362.7 Ų62.72%0.01835%0.348CS..Hα-helixtrans-61.8-47.5174.3-1790000110.8T125 V126 K127 E131 Q132 S133 V137 I168T125-V129 HydrophobicContact CG2-CG2 4.48Å; T125-V129 VanDerWaalsContact O-CG2 3.32Å; T125-V129 WeakPolarHBondContact O-CG2 3.37Å; T125-V129 PolarHBondContact O-N 2.78Å; V126-V129 PolarHBondContact O-N 3.01Å; K127-V129 VanDerWaalsContact C-N 3.32Å; K127-V129 PolarHBondContact O-N 2.98Å; V129-E131 VanDerWaalsContact C-N 3.34Å; V129-E131 PolarHBondContact O-N 3.48Å; V129-Q132 PolarHBondContact O-N 3.09Å; V129-S133 VanDerWaalsContact O-CB 3.24Å; V129-S133 WeakPolarHBondContact O-CB 3.46Å; V129-S133 PolarHBondContact O-N 3.38Å; V129-S133 PolarHBondContact O-OG 2.9Å; V129-V137 HydrophobicContact CG1-CG2 4.42Å; V129-I168 HydrophobicContact CB-CG2 4.36Å; V129-I168 HydrophobicContact CG1-CB 4.23Å; V129-I168 HydrophobicContact CG1-CD1 4.34Å; V129-I168 HydrophobicContact CG1-CG2 4.11Å; V129-I168 HydrophobicContact CG2-CG2 3.6Å
130M89.4Confident89Confident44 Ų4461.1 Ų61.122%0.21734%0.341CS..Hα-helixtrans-60.9-41176.7-70.6-172.4-79.900112.4V126 K127 G134 A135 W136 V137V126-M130 HydrophobicContact CG1-CE 4.47Å; V126-M130 HydrophobicContact CG2-CE 4.18Å; V126-M130 WeakPolarHBondContact O-CG 3.49Å; V126-M130 PolarHBondContact O-N 3.11Å; K127-M130 HydrophobicContact CG-CE 4.29Å; K127-M130 PolarHBondContact O-N 3.14Å; M130-G134 VanDerWaalsContact O-CA 3.25Å; M130-G134 WeakPolarHBondContact O-CA 3.48Å; M130-G134 PolarHBondContact O-N 3.33Å; M130-A135 WeakPolarHBondContact CA-O 3.29Å; M130-A135 WeakPolarHBondContact CB-O 3.06Å; M130-A135 WeakPolarHBondContact CG-O 3.38Å; M130-W136 HydrophobicContact SD-CE3 4.16Å; M130-W136 HydrophobicContact SD-CZ3 4.39Å; M130-V137 HydrophobicContact CG-CB 3.79Å; M130-V137 HydrophobicContact CG-CG2 3.95Å; M130-V137 HydrophobicContact SD-CB 4.34Å
131E92.2Very high88.3Confident169 Ų16967.4 Ų67.479%0.7937%0.365SS*.Hα-helixtrans-67.6-43.5177.6-174.8173.4-168.200112.6K127 A128 V129K127-E131 WeakPolarHBondContact O-CB 3.42Å; K127-E131 PolarHBondContact O-N 3.42Å; A128-E131 PolarHBondContact O-N 3.4Å; V129-E131 VanDerWaalsContact C-N 3.34Å; V129-E131 PolarHBondContact O-N 3.48Å
132Q92.9Very high87.2Confident113 Ų11363.5 Ų63.553%0.52835%0.348SS..Hα-helixtrans-73.2-36.1-178.6-72.9178.214.500113.3A128 V129 K164 I168A128-Q132 VanDerWaalsContact O-CB 3.32Å; A128-Q132 WeakPolarHBondContact O-CB 3.04Å; A128-Q132 VanDerWaalsContact O-CG 3.22Å; A128-Q132 WeakPolarHBondContact O-CG 3.42Å; A128-Q132 PolarHBondContact O-N 2.97Å; V129-Q132 PolarHBondContact O-N 3.09Å; Q132-K164 WeakPolarHBondContact O-CE 3.49Å; Q132-K164 PolarHBondContact O-NZ 3.37Å; Q132-I168 HydrophobicContact CB-CD1 3.89Å
133S90.9Very high85.7Confident8 Ų860.3 Ų60.36%0.05631%0.313CS..Hα-helixtrans-86.3-27.3-179.864.20000112.9V129 A135 Q161V129-S133 VanDerWaalsContact O-CB 3.24Å; V129-S133 WeakPolarHBondContact O-CB 3.46Å; V129-S133 PolarHBondContact O-N 3.38Å; V129-S133 PolarHBondContact O-OG 2.9Å; S133-A135 PolarHBondContact O-N 2.96Å; S133-A135 PolarHBondContact OG-N 3.42Å; S133-Q161 VanDerWaalsContact O-CA 3.31Å; S133-Q161 WeakPolarHBondContact O-CA 3.37Å; S133-Q161 VanDerWaalsContact O-CB 3.22Å; S133-Q161 WeakPolarHBondContact O-CB 3.49Å; S133-Q161 WeakPolarHBondContact O-CG 3.29Å
134G88.1Confident83.7Confident43 Ų4369.1 Ų69.144%0.44335%0.35SS..  trans70.40.9-167.800000113.7M130 Q161M130-G134 VanDerWaalsContact O-CA 3.25Å; M130-G134 WeakPolarHBondContact O-CA 3.48Å; M130-G134 PolarHBondContact O-N 3.33Å; G134-Q161 PolarHBondContact O-NE2 3.12Å; G134-Q161 VanDerWaalsContact O-NE2 3.13Å
135A89.1Confident81.5Confident3 Ų370 Ų703%0.02537%0.365CS..  trans-87.8149.4177.900000110.9M130 S133 I155 Q161 A165M130-A135 WeakPolarHBondContact CA-O 3.29Å; M130-A135 WeakPolarHBondContact CB-O 3.06Å; M130-A135 WeakPolarHBondContact CG-O 3.38Å; S133-A135 PolarHBondContact O-N 2.96Å; S133-A135 PolarHBondContact OG-N 3.42Å; A135-I155 HydrophobicContact CB-CG2 3.82Å; A135-Q161 HydrophobicContact CB-CB 3.97Å; A135-A165 HydrophobicContact CB-CB 3.96Å
136W88.7Confident79.8Confident161 Ų16169.6 Ų69.661%0.6136%0.361SS*.EExtended strand (participates in β ladder)trans-80.3117.8169-179.1-102.2000110M130 I155 S156M130-W136 HydrophobicContact SD-CE3 4.16Å; M130-W136 HydrophobicContact SD-CZ3 4.39Å; W136-I155 CarbonylContact O-C 3.56Å; W136-I155 VanDerWaalsContact O-CA 3.3Å; W136-I155 WeakPolarHBondContact O-CA 3.48Å; W136-S156 WeakPolarHBondContact CB-O 3Å; W136-S156 PolarHBondContact N-O 3.44Å; W136-S156 PolarHBondContact O-N 3.43Å
137V89.8Confident78.2Confident7 Ų775.5 Ų75.54%0.04239%0.393CS..EExtended strand (participates in β ladder)trans-116.5124.9-178.7-175.60000109.9V126 V129 M130 L139 V153 T154 I155 A165 I169V126-V137 HydrophobicContact CG2-CB 4.25Å; V126-V137 HydrophobicContact CG2-CG1 4.12Å; V129-V137 HydrophobicContact CG1-CG2 4.42Å; M130-V137 HydrophobicContact CG-CB 3.79Å; M130-V137 HydrophobicContact CG-CG2 3.95Å; M130-V137 HydrophobicContact SD-CB 4.34Å; V137-L139 HydrophobicContact CG1-CD1 4.33Å; V137-V153 HydrophobicContact CG1-CG1 3.64Å; V137-T154 WeakPolarHBondContact CA-O 3.43Å; V137-I155 HydrophobicContact CG1-CG1 4.32Å; V137-I155 HydrophobicContact CG2-CG1 4.31Å; V137-I155 HydrophobicContact CG2-CG2 4.24Å; V137-A165 HydrophobicContact CG2-CB 4.31Å; V137-I169 HydrophobicContact CG1-CD1 4.48Å
138Q85.9Confident77Confident83 Ų8369.6 Ų69.639%0.38837%0.367SS..EExtended strand (participates in β ladder)trans-132.2137.1-179.9-172.7173.215.800110.7V153 T154Q138-V153 CarbonylContact O-C 3.49Å; Q138-T154 PolarHBondContact N-O 2.93Å; Q138-T154 PolarHBondContact O-N 3.49Å
139L87.6Confident76Confident28 Ų2874.2 Ų74.215%0.14738%0.383CS..EExtended strand (participates in β ladder)trans-107.3137177.8-70.485.1000110.5A115 I118 I119 V126 V137 V152 V153A115-L139 HydrophobicContact CB-CD2 3.9Å; I118-L139 HydrophobicContact CG2-CD1 4.46Å; I119-L139 HydrophobicContact CD1-CD2 4.01Å; I119-L139 HydrophobicContact CG1-CD1 4.27Å; I119-L139 HydrophobicContact CG1-CD2 3.85Å; V126-L139 HydrophobicContact CG2-CD1 4.05Å; V137-L139 HydrophobicContact CG1-CD1 4.33Å; L139-V152 WeakPolarHBondContact CA-O 3.49Å; L139-V153 HydrophobicContact CD1-CG1 4.31Å; L139-V153 HydrophobicContact CD2-CG2 4.06Å; L139-V153 HydrophobicContact CG-CB 4.45Å; L139-V153 HydrophobicContact CG-CG1 4.16Å; L139-V153 HydrophobicContact CG-CG2 4Å
140S79.9Confident75.6Confident14 Ų1474.8 Ų74.810%0.09839%0.385CS..PPolyproline II helixtrans-61.9146.3176.173.50000110.8R151 V152S140-R151 PolarHBondContact O-NE 3.46Å; S140-R151 PolarHBondContact O-NH2 2.96Å; S140-V152 PolarHBondContact N-O 2.93Å; S140-V152 PolarHBondContact OG-N 3.25Å; S140-V152 PolarHBondContact OG-O 3.08Å
141Q71.6Confident75.2Confident152 Ų15274.9 Ų74.971%0.7138%0.383SS*.PPolyproline II helixtrans-66.9158.9173.9-66.9-173.1000111P143 A195Q141-P143 WeakPolarHBondContact O-CD 3.44Å; Q141-A195 WeakPolarHBondContact O-CB 3.46Å
142K65.3Low74.9Confident121 Ų12166.9 Ų66.953%0.52635%0.346SS..PPolyproline II helixtrans-73.9119.7172.8-175.5177.7179.4179.10107.7E144K142-E144 PolarHBondContact O-N 3.19Å
143P54.9Low74.8Confident18 Ų1861.5 Ų61.512%0.11732%0.321CS..PPolyproline II helixtrans-63.5124.5176.620.9-26.8000110.1Q141 G145 L148 A195Q141-P143 WeakPolarHBondContact O-CD 3.44Å; P143-G145 PolarHBondContact O-N 3.13Å; P143-L148 HydrophobicContact CG-CD1 3.83Å; P143-A195 HydrophobicContact CB-CB 4.16Å; P143-A195 HydrophobicContact CG-CB 4.32Å
144E42.6Very low74.6Confident197 Ų19761.6 Ų61.692%0.92132%0.321SS*.THydrogen-bonded Turntrans-77.9111.3171.9-64.5-169.6141.100108.4K142K142-E144 PolarHBondContact O-N 3.19Å
145G45.7Very low74.7Confident79 Ų7959.6 Ų59.681%0.81430%0.3SS*.THydrogen-bonded Turntrans122.6-19177.500000115.4P143P143-G145 PolarHBondContact O-N 3.13Å
146I56.2Low74.6Confident31 Ų3160.1 Ų60.116%0.15930%0.304CS..SBendtrans-125.2119.3173.3-53.7172000108L148 V190 G192 P193 V194I146-L148 HydrophobicContact CB-CD1 3.87Å; I146-L148 HydrophobicContact CG2-CD1 3.4Å; I146-L148 VanDerWaalsContact CG2-CD1 3.4Å; I146-L148 HydrophobicContact CG2-CG 4.04Å; I146-L148 PolarHBondContact O-N 3.44Å; I146-V190 HydrophobicContact CG2-CG1 3.94Å; I146-G192 VanDerWaalsContact CD1-CA 3.45Å; I146-P193 WeakPolarHBondContact CD1-O 3.44Å; I146-V194 HydrophobicContact CD1-CG1 3.88Å
147N56.5Low74.4Confident141 Ų14153.2 Ų53.275%0.75428%0.282SS*.  trans-74.865.1174.6-85.1-79.2000110.8Q149N147-Q149 PolarHBondContact O-N 3.18Å
148L66.6Low74.3Confident12 Ų1258.4 Ų58.46%0.06331%0.306CS..  trans-68.9121161.9-76.4115.8000107.9N112 P143 I146 E150 Y187 V190 V194N112-L148 PolarHBondContact ND2-O 3.33Å; N112-L148 VanDerWaalsContact ND2-O 3.07Å; P143-L148 HydrophobicContact CG-CD1 3.83Å; I146-L148 HydrophobicContact CB-CD1 3.87Å; I146-L148 HydrophobicContact CG2-CD1 3.4Å; I146-L148 VanDerWaalsContact CG2-CD1 3.4Å; I146-L148 HydrophobicContact CG2-CG 4.04Å; I146-L148 PolarHBondContact O-N 3.44Å; L148-E150 HydrophobicContact CD2-CG 4.44Å; L148-E150 PolarHBondContact O-N 3.41Å; L148-Y187 HydrophobicContact CD2-CE1 4.45Å; L148-V190 HydrophobicContact CD1-CG1 4.49Å; L148-V194 HydrophobicContact CD1-CB 4.44Å; L148-V194 HydrophobicContact CD1-CG1 3.49Å; L148-V194 VanDerWaalsContact CD1-CG1 3.49Å
149Q71.1Confident74.1Confident131 Ų13156.6 Ų56.661%0.61230%0.302SS*.SBendtrans-798.2177.5-61.9-175.611.600112.3P111 N112 N147P111-Q149 CarbonylContact C-O 3.3Å; P111-Q149 WeakPolarHBondContact CA-O 3.41Å; N112-Q149 PolarHBondContact N-O 3.25Å; N112-Q149 WeakPolarHBondContact ND2-CA 3.39Å; N147-Q149 PolarHBondContact O-N 3.18Å
150E81.6Confident74.1Confident15 Ų1560.8 Ų60.87%0.0732%0.321CS..EExtended strand (participates in β ladder)trans-140.9158.5-174.270.4-157.4148.200111.6K9 Y48 I109 V110 L148 Y187K9-E150 IonicContact NZ-OE2 3.31Å; K9-E150 PolarHBondContact NZ-OE2 3.28Å; Y48-E150 HydrophobicContact CE2-CG 4.39Å; I109-E150 HydrophobicContact CG2-CB 3.75Å; I109-E150 HydrophobicContact CG2-CG 3.63Å; I109-E150 VanDerWaalsContact CG2-OE2 3.3Å; I109-E150 WeakPolarHBondContact CG2-OE2 3.42Å; V110-E150 CarbonylContact O-C 3.52Å; V110-E150 VanDerWaalsContact O-CA 3.22Å; V110-E150 WeakPolarHBondContact O-CA 3.2Å; V110-E150 WeakPolarHBondContact O-CB 3.11Å; L148-E150 HydrophobicContact CD2-CG 4.44Å; L148-E150 PolarHBondContact O-N 3.41Å; E150-Y187 WeakPolarHBondContact OE1-CE1 3.18Å; E150-Y187 PolarHBondContact OE1-OH 3.11Å; E150-Y187 PolarHBondContact OE2-OH 3.25Å
151R82.6Confident74.6Confident46 Ų4663 Ų6317%0.17433%0.329CS..EExtended strand (participates in β ladder)trans-135152.9-176.5-70.9170.472.1-173.52109.9I109 V110 N112 A115 S140I109-R151 WeakPolarHBondContact CA-O 3.44Å; V110-R151 PolarHBondContact N-O 3.36Å; V110-R151 PolarHBondContact O-N 2.9Å; N112-R151 WeakPolarHBondContact OD1-CD 3.44Å; N112-R151 WeakPolarHBondContact OD1-CG 3.11Å; A115-R151 HydrophobicContact CB-CB 4.47Å; S140-R151 PolarHBondContact O-NE 3.46Å; S140-R151 PolarHBondContact O-NH2 2.96Å
152V85.4Confident75.4Confident1 Ų156.4 Ų56.41%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-91.7129177.4-1770000108.8L11 Y48 K107 L108 I109 L139 S140L11-V152 HydrophobicContact CD1-CG1 3.81Å; L11-V152 HydrophobicContact CD1-CG2 4.01Å; Y48-V152 HydrophobicContact CD1-CG2 4.22Å; Y48-V152 HydrophobicContact CE1-CG2 3.49Å; Y48-V152 VanDerWaalsContact CE1-CG2 3.49Å; K107-V152 HydrophobicContact CB-CG1 4.3Å; L108-V152 CarbonylContact O-C 3.44Å; L108-V152 WeakPolarHBondContact O-CA 3.21Å; I109-V152 HydrophobicContact CG1-CG2 4.29Å; L139-V152 WeakPolarHBondContact CA-O 3.49Å; S140-V152 PolarHBondContact N-O 2.93Å; S140-V152 PolarHBondContact OG-N 3.25Å; S140-V152 PolarHBondContact OG-O 3.08Å
153V89.5Confident76.5Confident0 Ų057.6 Ų57.60%030%0.3CS..EExtended strand (participates in β ladder)trans-102.8115.9170.5-170.30000107.4K107 L108 V110 V137 Q138 L139 I155 I169K107-V153 CarbonylContact C-O 3.11Å; K107-V153 VanDerWaalsContact CA-O 3.32Å; K107-V153 WeakPolarHBondContact CA-O 3.43Å; L108-V153 HydrophobicContact CB-CB 4.35Å; L108-V153 PolarHBondContact N-O 2.95Å; L108-V153 PolarHBondContact O-N 3.03Å; V110-V153 HydrophobicContact CB-CG2 4.46Å; V110-V153 HydrophobicContact CG1-CG2 4.1Å; V110-V153 HydrophobicContact CG2-CG2 3.53Å; V137-V153 HydrophobicContact CG1-CG1 3.64Å; Q138-V153 CarbonylContact O-C 3.49Å; L139-V153 HydrophobicContact CD1-CG1 4.31Å; L139-V153 HydrophobicContact CD2-CG2 4.06Å; L139-V153 HydrophobicContact CG-CB 4.45Å; L139-V153 HydrophobicContact CG-CG1 4.16Å; L139-V153 HydrophobicContact CG-CG2 4Å; V153-I155 HydrophobicContact CG1-CG1 4.2Å; V153-I169 HydrophobicContact CG1-CD1 4.19Å
154T88.3Confident78.2Confident11 Ų1161.6 Ų61.67%0.06732%0.316CS..EExtended strand (participates in β ladder)trans-98.3125.4175.3-56.90000108.7K107 V137 Q138 S197K107-T154 HydrophobicContact CG-CG2 4.31Å; V137-T154 WeakPolarHBondContact CA-O 3.43Å; Q138-T154 PolarHBondContact N-O 2.93Å; Q138-T154 PolarHBondContact O-N 3.49Å; T154-S197 PolarHBondContact OG1-O 3.24Å
155I90.4Very high80.5Confident0 Ų052.2 Ų52.20%027%0.272CS..EExtended strand (participates in β ladder)trans-119.5121.8-179.2-53.7168.1000106.8Q105 A106 L108 A135 W136 V137 V153 N162 A165 V166 I169Q105-I155 CarbonylContact C-O 3.5Å; Q105-I155 WeakPolarHBondContact CA-O 3.5Å; A106-I155 HydrophobicContact CB-CB 4.35Å; A106-I155 PolarHBondContact N-O 3Å; A106-I155 PolarHBondContact O-N 2.97Å; L108-I155 HydrophobicContact CD1-CD1 3.81Å; L108-I155 HydrophobicContact CG-CD1 4.24Å; A135-I155 HydrophobicContact CB-CG2 3.82Å; W136-I155 CarbonylContact O-C 3.56Å; W136-I155 VanDerWaalsContact O-CA 3.3Å; W136-I155 WeakPolarHBondContact O-CA 3.48Å; V137-I155 HydrophobicContact CG1-CG1 4.32Å; V137-I155 HydrophobicContact CG2-CG1 4.31Å; V137-I155 HydrophobicContact CG2-CG2 4.24Å; V153-I155 HydrophobicContact CG1-CG1 4.2Å; I155-N162 HydrophobicContact CG2-CB 4.46Å; I155-N162 WeakPolarHBondContact CG2-OD1 3.45Å; I155-A165 HydrophobicContact CD1-CB 4.42Å; I155-A165 HydrophobicContact CG2-CB 3.81Å; I155-V166 HydrophobicContact CD1-CG2 3.62Å; I155-I169 HydrophobicContact CD1-CD1 3.5Å; I155-I169 VanDerWaalsContact CD1-CD1 3.5Å; I155-I169 HydrophobicContact CG1-CD1 4.21Å
156S86.1Confident82.6Confident14 Ų1448.5 Ų48.510%0.09823%0.233CC..EExtended strand (participates in β ladder)trans-118.9132177.2-158.80000109.7D101 Q105 W136D101-S156 PolarHBondContact OD1-OG 3.42Å; Q105-S156 WeakPolarHBondContact CG-OG 3.32Å; Q105-S156 PolarHBondContact NE2-OG 3.49Å; Q105-S156 VanDerWaalsContact NE2-OG 3.15Å; W136-S156 WeakPolarHBondContact CB-O 3Å; W136-S156 PolarHBondContact N-O 3.44Å; W136-S156 PolarHBondContact O-N 3.43Å
157G84.9Confident84.2Confident16 Ų1651.9 Ų51.917%0.16525%0.248CC..SBendtrans169.2-175.5-177.900000112.6N162G157-N162 WeakPolarHBondContact CA-OD1 3.34Å; G157-N162 PolarHBondContact N-OD1 3.16Å; G157-N162 VanDerWaalsContact N-OD1 3.13Å
158E86.6Confident85.8Confident116 Ų11645.9 Ų45.954%0.54222%0.216SC..  trans-65.9149.5167.8-152172.6-175.900110.1E160 Q161 N162E158-E160 VanDerWaalsContact CG-OE2 3.31Å; E158-E160 WeakPolarHBondContact CG-OE2 3.24Å; E158-E160 PolarHBondContact O-N 3.31Å; E158-Q161 HydrophobicContact CB-CB 4.38Å; E158-Q161 HydrophobicContact CB-CG 3.92Å; E158-Q161 CarbonylContact O-C 3.5Å; E158-Q161 WeakPolarHBondContact O-CA 3.32Å; E158-Q161 WeakPolarHBondContact O-CB 3.48Å; E158-Q161 PolarHBondContact O-N 2.91Å; E158-N162 PolarHBondContact O-N 3.18Å
159P82.4Confident86.9Confident45 Ų4545.3 Ų45.329%0.29221%0.213SC..Hα-helixtrans-48.2-40.3176.716.7-35.8000114.8N162 R163P159-N162 PolarHBondContact O-N 3.2Å; P159-R163 VanDerWaalsContact O-CB 3.27Å; P159-R163 WeakPolarHBondContact O-CB 3.29Å; P159-R163 PolarHBondContact O-N 3.03Å
160E87.4Confident87.7Confident116 Ų11639.1 Ų39.154%0.54218%0.184SC..Hα-helixtrans-67.1-40.2178-62.770.6-150.600110.9E158 K164E158-E160 VanDerWaalsContact CG-OE2 3.31Å; E158-E160 WeakPolarHBondContact CG-OE2 3.24Å; E158-E160 PolarHBondContact O-N 3.31Å; E160-K164 WeakPolarHBondContact O-CB 3.27Å; E160-K164 PolarHBondContact O-N 2.75Å; E160-K164 VanDerWaalsContact O-N 3.09Å
161Q90.8Very high88Confident61 Ų6143 Ų4329%0.28520%0.202SC..Hα-helixtrans-66.3-46.5176.5-60.3179-40.600111.1S133 G134 A135 E158 R163 K164 A165S133-Q161 VanDerWaalsContact O-CA 3.31Å; S133-Q161 WeakPolarHBondContact O-CA 3.37Å; S133-Q161 VanDerWaalsContact O-CB 3.22Å; S133-Q161 WeakPolarHBondContact O-CB 3.49Å; S133-Q161 WeakPolarHBondContact O-CG 3.29Å; G134-Q161 PolarHBondContact O-NE2 3.12Å; G134-Q161 VanDerWaalsContact O-NE2 3.13Å; A135-Q161 HydrophobicContact CB-CB 3.97Å; E158-Q161 HydrophobicContact CB-CB 4.38Å; E158-Q161 HydrophobicContact CB-CG 3.92Å; E158-Q161 CarbonylContact O-C 3.5Å; E158-Q161 WeakPolarHBondContact O-CA 3.32Å; E158-Q161 WeakPolarHBondContact O-CB 3.48Å; E158-Q161 PolarHBondContact O-N 2.91Å; Q161-R163 PolarHBondContact O-N 3.47Å; Q161-K164 PolarHBondContact O-N 3.21Å; Q161-A165 WeakPolarHBondContact O-CB 3.3Å; Q161-A165 PolarHBondContact O-N 3.21Å
162N88.5Confident88.2Confident14 Ų1442.8 Ų42.88%0.07520%0.203CC..Hα-helixtrans-61.1-45.2177.1-73.8-4.8000111.3K104 I155 G157 E158 P159 K164 A165 V166K104-N162 PolarHBondContact O-ND2 3.15Å; I155-N162 HydrophobicContact CG2-CB 4.46Å; I155-N162 WeakPolarHBondContact CG2-OD1 3.45Å; G157-N162 WeakPolarHBondContact CA-OD1 3.34Å; G157-N162 PolarHBondContact N-OD1 3.16Å; G157-N162 VanDerWaalsContact N-OD1 3.13Å; E158-N162 PolarHBondContact O-N 3.18Å; P159-N162 PolarHBondContact O-N 3.2Å; N162-K164 VanDerWaalsContact C-N 3.3Å; N162-K164 PolarHBondContact O-N 3.03Å; N162-A165 PolarHBondContact O-N 2.78Å; N162-V166 VanDerWaalsContact O-CG2 3.29Å; N162-V166 WeakPolarHBondContact O-CG2 3.47Å; N162-V166 PolarHBondContact O-N 3.26Å
163R87.6Confident88.2Confident146 Ų14642.9 Ų42.955%0.55120%0.203SC*.Hα-helixtrans-56.7-46.7176.8179.5179.2172.6178.6-0.5110.8P159 Q161 V166 E167P159-R163 VanDerWaalsContact O-CB 3.27Å; P159-R163 WeakPolarHBondContact O-CB 3.29Å; P159-R163 PolarHBondContact O-N 3.03Å; Q161-R163 PolarHBondContact O-N 3.47Å; R163-V166 PolarHBondContact O-N 3.16Å; R163-E167 WeakPolarHBondContact O-CB 3.3Å; R163-E167 PolarHBondContact O-N 3.05Å
164K91.1Very high87.9Confident102 Ų10246.1 Ų46.144%0.44322%0.219SC..Hα-helixtrans-67.4-39.4179-163.3170.9-177.5-161.50112.5Q132 E160 Q161 N162 E167 I168Q132-K164 WeakPolarHBondContact O-CE 3.49Å; Q132-K164 PolarHBondContact O-NZ 3.37Å; E160-K164 WeakPolarHBondContact O-CB 3.27Å; E160-K164 PolarHBondContact O-N 2.75Å; E160-K164 VanDerWaalsContact O-N 3.09Å; Q161-K164 PolarHBondContact O-N 3.21Å; N162-K164 VanDerWaalsContact C-N 3.3Å; N162-K164 PolarHBondContact O-N 3.03Å; K164-E167 PolarHBondContact O-N 3.03Å; K164-I168 HydrophobicContact CG-CD1 4.46Å; K164-I168 WeakPolarHBondContact O-CD1 3.44Å; K164-I168 VanDerWaalsContact O-CG1 3.3Å; K164-I168 WeakPolarHBondContact O-CG1 3.41Å; K164-I168 PolarHBondContact O-N 3.46Å; K164-I168 VanDerWaalsContact O-N 3.14Å
165A90.9Very high87.6Confident0 Ų050.2 Ų50.20%024%0.237CC..Hα-helixtrans-61.9-44.2174.700000111.7A135 V137 I155 Q161 N162 I168 I169A135-A165 HydrophobicContact CB-CB 3.96Å; V137-A165 HydrophobicContact CG2-CB 4.31Å; I155-A165 HydrophobicContact CD1-CB 4.42Å; I155-A165 HydrophobicContact CG2-CB 3.81Å; Q161-A165 WeakPolarHBondContact O-CB 3.3Å; Q161-A165 PolarHBondContact O-N 3.21Å; N162-A165 PolarHBondContact O-N 2.78Å; A165-I168 PolarHBondContact O-N 2.87Å; A165-I169 WeakPolarHBondContact O-CD1 3.3Å; A165-I169 VanDerWaalsContact O-CG1 3.23Å; A165-I169 WeakPolarHBondContact O-CG1 3.46Å; A165-I169 PolarHBondContact O-N 3.09Å
166V89.3Confident87.1Confident0 Ų050.8 Ų50.80%024%0.24CC..Hα-helixtrans-65.3-42177.1175.90000111.5H69 L108 I155 N162 R163 I168 I169 V170H69-V166 HydrophobicContact CB-CG1 4.36Å; H69-V166 WeakPolarHBondContact CE1-CG2 3.31Å; H69-V166 WeakPolarHBondContact NE2-CG2 3.5Å; L108-V166 HydrophobicContact CD1-CB 4.44Å; L108-V166 HydrophobicContact CD1-CG1 4.12Å; L108-V166 HydrophobicContact CD1-CG2 3.84Å; I155-V166 HydrophobicContact CD1-CG2 3.62Å; N162-V166 VanDerWaalsContact O-CG2 3.29Å; N162-V166 WeakPolarHBondContact O-CG2 3.47Å; N162-V166 PolarHBondContact O-N 3.26Å; R163-V166 PolarHBondContact O-N 3.16Å; V166-I168 VanDerWaalsContact C-N 3.32Å; V166-I168 PolarHBondContact O-N 3.39Å; V166-I169 CarbonylContact O-C 3.18Å; V166-I169 PolarHBondContact O-N 2.88Å; V166-I169 VanDerWaalsContact O-N 3.09Å; V166-V170 HydrophobicContact CG1-CG2 4.01Å; V166-V170 VanDerWaalsContact O-CG2 3.31Å; V166-V170 WeakPolarHBondContact O-CG2 3.32Å; V166-V170 PolarHBondContact O-N 3.4Å
167E90.1Very high86.1Confident102 Ų10256 Ų5648%0.47727%0.273SS..Hα-helixtrans-56.4-46.4176.7-178174.6-163.200111.7R163 K164 I169 V170 Q171R163-E167 WeakPolarHBondContact O-CB 3.3Å; R163-E167 PolarHBondContact O-N 3.05Å; K164-E167 PolarHBondContact O-N 3.03Å; E167-I169 PolarHBondContact O-N 3.34Å; E167-V170 PolarHBondContact O-N 2.97Å; E167-Q171 PolarHBondContact O-N 3.03Å
168I90.7Very high84.9Confident16 Ų1660.4 Ų60.48%0.08229%0.29CS..Hα-helixtrans-65.2-39.1176.2-60.7162.5000111.1V129 Q132 K164 A165 V166 Q171 K172V129-I168 HydrophobicContact CB-CG2 4.36Å; V129-I168 HydrophobicContact CG1-CB 4.23Å; V129-I168 HydrophobicContact CG1-CD1 4.34Å; V129-I168 HydrophobicContact CG1-CG2 4.11Å; V129-I168 HydrophobicContact CG2-CG2 3.6Å; Q132-I168 HydrophobicContact CB-CD1 3.89Å; K164-I168 HydrophobicContact CG-CD1 4.46Å; K164-I168 WeakPolarHBondContact O-CD1 3.44Å; K164-I168 VanDerWaalsContact O-CG1 3.3Å; K164-I168 WeakPolarHBondContact O-CG1 3.41Å; K164-I168 PolarHBondContact O-N 3.46Å; K164-I168 VanDerWaalsContact O-N 3.14Å; A165-I168 PolarHBondContact O-N 2.87Å; V166-I168 VanDerWaalsContact C-N 3.32Å; V166-I168 PolarHBondContact O-N 3.39Å; I168-Q171 VanDerWaalsContact O-CB 3.32Å; I168-Q171 WeakPolarHBondContact O-CB 3.32Å; I168-Q171 PolarHBondContact O-N 3.4Å; I168-K172 WeakPolarHBondContact O-CG 3.34Å; I168-K172 PolarHBondContact O-N 3.38Å
169I90.1Very high83.6Confident0 Ų055.1 Ų55.10%027%0.266CS..Hα-helixtrans-66-42177.4-71.4162.9000111.2L108 I118 V137 V153 I155 A165 V166 E167 Q171 K172 I173L108-I169 HydrophobicContact CD1-CD1 4.26Å; L108-I169 HydrophobicContact CD1-CG2 4.03Å; I118-I169 HydrophobicContact CD1-CG2 3.82Å; V137-I169 HydrophobicContact CG1-CD1 4.48Å; V153-I169 HydrophobicContact CG1-CD1 4.19Å; I155-I169 HydrophobicContact CD1-CD1 3.5Å; I155-I169 VanDerWaalsContact CD1-CD1 3.5Å; I155-I169 HydrophobicContact CG1-CD1 4.21Å; A165-I169 WeakPolarHBondContact O-CD1 3.3Å; A165-I169 VanDerWaalsContact O-CG1 3.23Å; A165-I169 WeakPolarHBondContact O-CG1 3.46Å; A165-I169 PolarHBondContact O-N 3.09Å; V166-I169 CarbonylContact O-C 3.18Å; V166-I169 PolarHBondContact O-N 2.88Å; V166-I169 VanDerWaalsContact O-N 3.09Å; E167-I169 PolarHBondContact O-N 3.34Å; I169-Q171 VanDerWaalsContact C-N 3.26Å; I169-Q171 PolarHBondContact O-N 2.97Å; I169-K172 CarbonylContact O-C 3.57Å; I169-K172 WeakPolarHBondContact O-CA 3.44Å; I169-K172 WeakPolarHBondContact O-CB 3.41Å; I169-K172 PolarHBondContact O-N 3.22Å; I169-I173 HydrophobicContact CG2-CD1 4.07Å; I169-I173 HydrophobicContact CG2-CG1 4.49Å; I169-I173 WeakPolarHBondContact O-CG1 3.42Å; I169-I173 PolarHBondContact O-N 2.84Å
170V88.1Confident82.4Confident0 Ų055.6 Ų55.60%027%0.27CS..Hα-helixtrans-62.9-37.6174177.40000110.2L8 V62 L65 V166 E167 K172 I173 Q174L8-V170 HydrophobicContact CD1-CG2 4.33Å; L8-V170 HydrophobicContact CD2-CG2 4.21Å; V62-V170 HydrophobicContact CB-CG1 4.33Å; V62-V170 HydrophobicContact CG1-CG1 3.79Å; V62-V170 HydrophobicContact CG2-CG1 4.26Å; L65-V170 HydrophobicContact CB-CG1 4.38Å; L65-V170 HydrophobicContact CD1-CG1 3.93Å; V166-V170 HydrophobicContact CG1-CG2 4.01Å; V166-V170 VanDerWaalsContact O-CG2 3.31Å; V166-V170 WeakPolarHBondContact O-CG2 3.32Å; V166-V170 PolarHBondContact O-N 3.4Å; E167-V170 PolarHBondContact O-N 2.97Å; V170-K172 PolarHBondContact O-N 2.88Å; V170-I173 WeakPolarHBondContact O-CB 3.43Å; V170-I173 PolarHBondContact O-N 2.78Å; V170-I173 VanDerWaalsContact O-N 3.11Å; V170-Q174 PolarHBondContact O-N 2.8Å
171Q87.3Confident80.9Confident96 Ų9653.8 Ų53.845%0.44927%0.27SS..Hα-helixtrans-61.7-32.4171.7-156.3-179.215.700112.6E167 I168 I169 Q174 E175E167-Q171 PolarHBondContact O-N 3.03Å; I168-Q171 VanDerWaalsContact O-CB 3.32Å; I168-Q171 WeakPolarHBondContact O-CB 3.32Å; I168-Q171 PolarHBondContact O-N 3.4Å; I169-Q171 VanDerWaalsContact C-N 3.26Å; I169-Q171 PolarHBondContact O-N 2.97Å; Q171-Q174 HydrophobicContact CG-CG 4.46Å; Q171-Q174 WeakPolarHBondContact O-CG 3.49Å; Q171-E175 WeakPolarHBondContact O-CG 3.22Å; Q171-E175 PolarHBondContact O-N 3.49Å
172K87.4Confident79.2Confident42 Ų4251.8 Ų51.818%0.18326%0.263CS..Hα-helixtrans-77.7-30.1172.9-66.6-69.5161.4-142.40113.1I118 T125 I168 I169 V170 E175 D176I118-K172 HydrophobicContact CG1-CB 3.9Å; I118-K172 HydrophobicContact CG1-CG 4.48Å; T125-K172 HydrophobicContact CG2-CD 4.31Å; I168-K172 WeakPolarHBondContact O-CG 3.34Å; I168-K172 PolarHBondContact O-N 3.38Å; I169-K172 CarbonylContact O-C 3.57Å; I169-K172 WeakPolarHBondContact O-CA 3.44Å; I169-K172 WeakPolarHBondContact O-CB 3.41Å; I169-K172 PolarHBondContact O-N 3.22Å; V170-K172 PolarHBondContact O-N 2.88Å; K172-E175 WeakPolarHBondContact CD-OE2 3.11Å; K172-E175 IonicContact NZ-OE1 2.94Å; K172-E175 PolarHBondContact NZ-OE1 3.04Å; K172-E175 IonicContact NZ-OE2 2.75Å; K172-E175 PolarHBondContact NZ-OE2 2.75Å; K172-E175 PolarHBondContact O-N 2.81Å; K172-D176 PolarHBondContact O-N 2.75Å
173I85.3Confident77.9Confident4 Ų455.2 Ų55.22%0.02128%0.281CS..Hα-helixtrans-64-41.7172.9-67.6164.6000110.3L8 V110 T114 I169 V170 E175 D176 S179L8-I173 HydrophobicContact CD1-CD1 3.81Å; V110-I173 HydrophobicContact CG1-CD1 4.17Å; T114-I173 HydrophobicContact CG2-CB 4.19Å; T114-I173 HydrophobicContact CG2-CG1 3.63Å; I169-I173 HydrophobicContact CG2-CD1 4.07Å; I169-I173 HydrophobicContact CG2-CG1 4.49Å; I169-I173 WeakPolarHBondContact O-CG1 3.42Å; I169-I173 PolarHBondContact O-N 2.84Å; V170-I173 WeakPolarHBondContact O-CB 3.43Å; V170-I173 PolarHBondContact O-N 2.78Å; V170-I173 VanDerWaalsContact O-N 3.11Å; I173-E175 VanDerWaalsContact C-N 3.33Å; I173-E175 PolarHBondContact O-N 3.27Å; I173-D176 PolarHBondContact O-N 2.71Å; I173-S179 WeakPolarHBondContact CG2-OG 3.49Å; I173-S179 WeakPolarHBondContact O-CB 3.07Å; I173-S179 PolarHBondContact O-OG 2.97Å
174Q82.6Confident76.4Confident68 Ų6852.9 Ų52.932%0.31828%0.279SS..Hα-helixtrans-68.8-28.6177.760.9167.526.600114.1Y6 V170 Q171 D176Y6-Q174 HydrophobicContact CD1-CB 3.97Å; Y6-Q174 HydrophobicContact CD2-CB 4.46Å; Y6-Q174 HydrophobicContact CE1-CB 3.39Å; Y6-Q174 HydrophobicContact CE2-CB 3.93Å; Y6-Q174 HydrophobicContact CG-CB 4.47Å; V170-Q174 PolarHBondContact O-N 2.8Å; Q171-Q174 HydrophobicContact CG-CG 4.46Å; Q171-Q174 WeakPolarHBondContact O-CG 3.49Å; Q174-D176 PolarHBondContact O-N 3.48Å
175E82.6Confident74.9Confident96 Ų9649.6 Ų49.645%0.44927%0.266SS..Hα-helixtrans-71.4-18176.4-73.9172.2-154.300111.5Q171 K172 I173 P177Q171-E175 WeakPolarHBondContact O-CG 3.22Å; Q171-E175 PolarHBondContact O-N 3.49Å; K172-E175 WeakPolarHBondContact CD-OE2 3.11Å; K172-E175 IonicContact NZ-OE1 2.94Å; K172-E175 PolarHBondContact NZ-OE1 3.04Å; K172-E175 IonicContact NZ-OE2 2.75Å; K172-E175 PolarHBondContact NZ-OE2 2.75Å; K172-E175 PolarHBondContact O-N 2.81Å; I173-E175 VanDerWaalsContact C-N 3.33Å; I173-E175 PolarHBondContact O-N 3.27Å; E175-P177 WeakPolarHBondContact O-CD 3.48Å
176D78.9Confident73.1Confident13 Ų1352.3 Ų52.37%0.0729%0.285CS..  trans-97.8109.3-179.5-174.321.5000111.8S113 T114 L117 K172 I173 Q174 Q178 S179S113-D176 WeakPolarHBondContact CB-OD2 3.47Å; T114-D176 WeakPolarHBondContact CA-OD2 3.5Å; T114-D176 WeakPolarHBondContact CB-OD2 3.45Å; T114-D176 HydrophobicContact CG2-CB 4.29Å; T114-D176 PolarHBondContact N-OD2 2.89Å; T114-D176 VanDerWaalsContact N-OD2 3.09Å; T114-D176 PolarHBondContact OG1-OD2 2.91Å; L117-D176 HydrophobicContact CD1-CB 3.48Å; L117-D176 VanDerWaalsContact CD1-CB 3.48Å; K172-D176 PolarHBondContact O-N 2.75Å; I173-D176 PolarHBondContact O-N 2.71Å; Q174-D176 PolarHBondContact O-N 3.48Å; D176-Q178 PolarHBondContact O-N 3.27Å; D176-Q178 VanDerWaalsContact O-N 3.17Å; D176-Q178 PolarHBondContact OD1-N 3.41Å; D176-S179 WeakPolarHBondContact CB-OG 3.39Å; D176-S179 VanDerWaalsContact O-CB 3.32Å; D176-S179 WeakPolarHBondContact O-CB 3.22Å; D176-S179 PolarHBondContact O-N 3.27Å; D176-S179 VanDerWaalsContact O-N 3.14Å; D176-S179 PolarHBondContact O-OG 3.29Å; D176-S179 VanDerWaalsContact O-OG 3.07Å
177P64.6Low71.7Confident123 Ų12352.7 Ų52.780%0.79929%0.286SS*.THydrogen-bonded Turntrans-67.1-14.4177.326.1-32.8000113.2E175E175-P177 WeakPolarHBondContact O-CD 3.48Å
178Q59.7Low69.9Low108 Ų10852 Ų5251%0.50529%0.293SS..THydrogen-bonded Turntrans-87.6-2.7175.8-69-170.5-22.700113.9S113 D176 S180 S181S113-Q178 PolarHBondContact OG-OE1 2.86Å; D176-Q178 PolarHBondContact O-N 3.27Å; D176-Q178 VanDerWaalsContact O-N 3.17Å; D176-Q178 PolarHBondContact OD1-N 3.41Å; Q178-S180 PolarHBondContact O-N 3.4Å; Q178-S180 VanDerWaalsContact O-N 3.11Å; Q178-S181 WeakPolarHBondContact O-CB 3.49Å; Q178-S181 PolarHBondContact O-N 2.95Å; Q178-S181 PolarHBondContact O-OG 3.46Å
179S59.6Low67.8Low6 Ų659.1 Ų59.14%0.04233%0.331CS..G310 helixtrans-56-30.2-179.6-720000114.2T114 I173 D176 S181T114-S179 PolarHBondContact OG1-OG 3.09Å; I173-S179 WeakPolarHBondContact CG2-OG 3.49Å; I173-S179 WeakPolarHBondContact O-CB 3.07Å; I173-S179 PolarHBondContact O-OG 2.97Å; D176-S179 WeakPolarHBondContact CB-OG 3.39Å; D176-S179 VanDerWaalsContact O-CB 3.32Å; D176-S179 WeakPolarHBondContact O-CB 3.22Å; D176-S179 PolarHBondContact O-N 3.27Å; D176-S179 VanDerWaalsContact O-N 3.14Å; D176-S179 PolarHBondContact O-OG 3.29Å; D176-S179 VanDerWaalsContact O-OG 3.07Å; S179-S181 VanDerWaalsContact C-N 3.31Å; S179-S181 PolarHBondContact O-N 3.43Å
180S58.7Low66Low54 Ų5461.4 Ų61.438%0.37835%0.345SS..G310 helixtrans-79.6-6.5-179.5-49.20000114.4Q178 C182Q178-S180 PolarHBondContact O-N 3.4Å; Q178-S180 VanDerWaalsContact O-N 3.11Å; S180-C182 VanDerWaalsContact C-N 3.33Å; S180-C182 PolarHBondContact O-N 3.47Å
181S55.3Low63.8Low79 Ų7967.4 Ų67.455%0.55239%0.387SS*.G310 helixtrans-77.6-13.1-173.363.70000114.6Q178 S179Q178-S181 WeakPolarHBondContact O-CB 3.49Å; Q178-S181 PolarHBondContact O-N 2.95Å; Q178-S181 PolarHBondContact O-OG 3.46Å; S179-S181 VanDerWaalsContact C-N 3.31Å; S179-S181 PolarHBondContact O-N 3.43Å
182C54.4Low61.8Low18 Ų1864.5 Ų64.512%0.12238%0.383CS..  trans-116.269.2-173.5-67.80000112.3K9 P111 S180 N184K9-C182 WeakPolarHBondContact CE-O 3.42Å; K9-C182 PolarHBondContact NZ-O 3.34Å; P111-C182 HydrophobicContact CG-CB 4.09Å; S180-C182 VanDerWaalsContact C-N 3.33Å; S180-C182 PolarHBondContact O-N 3.47Å; C182-N184 VanDerWaalsContact C-N 3.3Å; C182-N184 PolarHBondContact O-N 2.87Å
183L60.6Low59.8Low87 Ų8767.1 Ų67.146%0.45540%0.404SS..  trans-83.23.3-178.6-67.5166000115.1F7 L57 I185F7-L183 HydrophobicContact CD1-CD2 3.24Å; F7-L183 HydrophobicContact CD2-CD2 4.11Å; F7-L183 HydrophobicContact CE1-CD2 3.17Å; F7-L183 HydrophobicContact CE2-CD2 4.09Å; F7-L183 HydrophobicContact CG-CD2 3.72Å; F7-L183 HydrophobicContact CZ-CD2 3.64Å; L57-L183 HydrophobicContact CD2-CD2 4.42Å; L183-I185 WeakPolarHBondContact O-CG1 3.42Å; L183-I185 PolarHBondContact O-N 2.87Å
184N57.9Low58Low97 Ų9768 Ų6852%0.51941%0.409SS..  trans-69.9126.8-170.6-148.73.6000111.7K9 C182 S186 Y187K9-N184 VanDerWaalsContact CE-O 3.26Å; K9-N184 WeakPolarHBondContact CE-O 2.92Å; K9-N184 PolarHBondContact NZ-O 3.33Å; C182-N184 VanDerWaalsContact C-N 3.3Å; C182-N184 PolarHBondContact O-N 2.87Å; N184-S186 PolarHBondContact OD1-O 3.48Å; N184-Y187 PolarHBondContact O-OH 3.05Å; N184-Y187 VanDerWaalsContact O-OH 3.1Å
185I59.6Low56.3Low32 Ų3265.7 Ų65.716%0.16440%0.402CS..  trans-109.6-20.1-177.6-44.6177.3000110.8K40 L57 L183K40-I185 HydrophobicContact CB-CD1 3.77Å; K40-I185 HydrophobicContact CD-CD1 3.93Å; L57-I185 HydrophobicContact CB-CD1 3.77Å; L57-I185 HydrophobicContact CB-CG1 3.89Å; L57-I185 HydrophobicContact CD2-CD1 3.4Å; L57-I185 VanDerWaalsContact CD2-CD1 3.4Å; L57-I185 HydrophobicContact CD2-CG1 3.68Å; L57-I185 HydrophobicContact CG-CD1 4.22Å; L57-I185 HydrophobicContact CG-CG1 4.36Å; L183-I185 WeakPolarHBondContact O-CG1 3.42Å; L183-I185 PolarHBondContact O-N 2.87Å
186S53.4Low54.8Low57 Ų5763 Ų6340%0.39939%0.391SS..  trans-114124.1-176.5-76.30000111.1D46 N184D46-S186 WeakPolarHBondContact OD2-CA 3.45Å; D46-S186 WeakPolarHBondContact OD2-CB 3.45Å; D46-S186 PolarHBondContact OD2-OG 3.48Å; N184-S186 PolarHBondContact OD1-O 3.48Å
187Y57.9Low53.4Low8 Ų862.7 Ų62.73%0.03139%0.39CS..  trans-11311.9-177.7-66.2-85.4000112.5K9 D46 Y48 P49 V55 L148 E150 N184 N189 V190K9-Y187 PolarHBondContact NZ-OH 3.18Å; K9-Y187 VanDerWaalsContact NZ-OH 3.1Å; D46-Y187 PolarHBondContact OD1-N 3.31Å; D46-Y187 VanDerWaalsContact OD1-N 3.15Å; Y48-Y187 HydrophobicContact CD2-CD2 4.16Å; Y48-Y187 HydrophobicContact CD2-CE1 4.49Å; Y48-Y187 AromaticContact CD2-CE2 3.98Å; Y48-Y187 HydrophobicContact CD2-CE2 3.98Å; Y48-Y187 HydrophobicContact CE2-CE1 4.27Å; Y48-Y187 HydrophobicContact CE2-CE2 4.4Å; P49-Y187 HydrophobicContact CG-CD1 4.17Å; P49-Y187 HydrophobicContact CG-CG 4.19Å; V55-Y187 HydrophobicContact CG2-CD2 4Å; V55-Y187 HydrophobicContact CG2-CE2 3.79Å; L148-Y187 HydrophobicContact CD2-CE1 4.45Å; E150-Y187 WeakPolarHBondContact OE1-CE1 3.18Å; E150-Y187 PolarHBondContact OE1-OH 3.11Å; E150-Y187 PolarHBondContact OE2-OH 3.25Å; N184-Y187 PolarHBondContact O-OH 3.05Å; N184-Y187 VanDerWaalsContact O-OH 3.1Å; Y187-N189 PolarHBondContact O-N 3.22Å; Y187-V190 HydrophobicContact CD1-CG2 4.06Å; Y187-V190 PolarHBondContact O-N 2.59Å
188S52.3Low52.8Low89 Ų8959.7 Ų59.762%0.62237%0.367SS*.THydrogen-bonded Turntrans-57.8-18-174.9-31.30000114D46D46-S188 PolarHBondContact OD1-N 3.04Å; D46-S188 PolarHBondContact OD1-OG 3.09Å
189N47.3Very low52Low164 Ų16457.9 Ų57.988%0.87737%0.365SS*.THydrogen-bonded Turntrans-101.1-4177-67.6-36.4000114.3Y187 S191Y187-N189 PolarHBondContact O-N 3.22Å; N189-S191 PolarHBondContact O-N 2.86Å
190V53.3Low51.3Low49 Ų4961.5 Ų61.530%0.29739%0.387SS..  trans-89.689.6176.9-1760000108.1P49 I146 L148 Y187P49-V190 HydrophobicContact CG-CB 4Å; P49-V190 HydrophobicContact CG-CG1 3.97Å; I146-V190 HydrophobicContact CG2-CG1 3.94Å; L148-V190 HydrophobicContact CD1-CG1 4.49Å; Y187-V190 HydrophobicContact CD1-CG2 4.06Å; Y187-V190 PolarHBondContact O-N 2.59Å
191S40.3Very low50.6Low125 Ų12562.2 Ų62.287%0.87440%0.403SS*.  trans-103.3112.9175.3-166.70000109.7N189N189-S191 PolarHBondContact O-N 2.86Å
192G45.3Very low49.7Very low35 Ų3562.4 Ų62.436%0.36140%0.404SS..SBendtrans166.3172.8172.800000112.5I146 V194I146-G192 VanDerWaalsContact CD1-CA 3.45Å; G192-V194 PolarHBondContact O-N 3.13Å
193P45.7Very low49.4Very low98 Ų9865.6 Ų65.664%0.63642%0.424SS*.  trans-66.3114.6177.626.7-31.5000110.7I146I146-P193 WeakPolarHBondContact CD1-O 3.44Å
194V47.8Very low48.6Very low21 Ų2170.4 Ų70.413%0.12744%0.438CS..PPolyproline II helixtrans-103152.8173.4-68.10000111.3P49 G50 I146 L148 G192 N196P49-V194 HydrophobicContact CB-CB 4.06Å; P49-V194 HydrophobicContact CB-CG1 3.43Å; P49-V194 VanDerWaalsContact CB-CG1 3.43Å; P49-V194 HydrophobicContact CB-CG2 3.64Å; P49-V194 HydrophobicContact CG-CG1 4.34Å; P49-V194 WeakPolarHBondContact O-CG2 3.49Å; G50-V194 VanDerWaalsContact N-CG2 3.28Å; I146-V194 HydrophobicContact CD1-CG1 3.88Å; L148-V194 HydrophobicContact CD1-CB 4.44Å; L148-V194 HydrophobicContact CD1-CG1 3.49Å; L148-V194 VanDerWaalsContact CD1-CG1 3.49Å; G192-V194 PolarHBondContact O-N 3.13Å; V194-N196 PolarHBondContact O-N 2.88Å
195A47.2Very low47.7Very low20 Ų2069.1 Ų69.117%0.16544%0.44CS..PPolyproline II helixtrans-61.7127.8-17900000110.2Q141 P143 S197Q141-A195 WeakPolarHBondContact O-CB 3.46Å; P143-A195 HydrophobicContact CB-CB 4.16Å; P143-A195 HydrophobicContact CG-CB 4.32Å; A195-S197 PolarHBondContact O-N 2.77Å
196N50.2Low46.6Very low41 Ų4174.4 Ų74.422%0.21947%0.469CS..PPolyproline II helixtrans-54.8125.8-178.9-172.921000111.2V194 N198 T200V194-N196 PolarHBondContact O-N 2.88Å; N196-N198 VanDerWaalsContact C-N 3.27Å; N196-N198 PolarHBondContact ND2-O 3Å; N196-N198 WeakPolarHBondContact OD1-CB 3.3Å; N196-N198 PolarHBondContact OD1-N 3.32Å; N196-T200 PolarHBondContact ND2-O 3.01Å
197S49.7Very low46Very low5 Ų577.5 Ų77.54%0.03549%0.486CS..  trans-81.8-3.5175.6-540000113.1T51 T154 A195T51-S197 WeakPolarHBondContact CG2-OG 3.45Å; T154-S197 PolarHBondContact OG1-O 3.24Å; A195-S197 PolarHBondContact O-N 2.77Å
198N51.9Low45Very low60 Ų6081.2 Ų81.232%0.32152%0.518SS..SBendtrans-101.7147.1-176.3-77.1-12.1000113.3N196 T200N196-N198 VanDerWaalsContact C-N 3.27Å; N196-N198 PolarHBondContact ND2-O 3Å; N196-N198 WeakPolarHBondContact OD1-CB 3.3Å; N196-N198 PolarHBondContact OD1-N 3.32Å; N198-T200 VanDerWaalsContact C-N 3.3Å; N198-T200 PolarHBondContact O-N 3.42Å
199P44.1Very low44.2Very low71 Ų7186 Ų8646%0.46153%0.53SS..SBendtrans-78.1-2.8-177.530.3-35.1000115
200T43.3Very low43.8Very low82 Ų8284.9 Ų84.950%0.50353%0.529SS..SBendtrans-89.2118.6176.555.60000109.3N196 N198N196-T200 PolarHBondContact ND2-O 3.01Å; N198-T200 VanDerWaalsContact C-N 3.3Å; N198-T200 PolarHBondContact O-N 3.42Å
201G45Very low42.7Very low69 Ų6990.6 Ų90.671%0.71156%0.557SS**SBendtrans-55.1172-166.800000117.4
202S36.2Very low42.6Very low82 Ų8289.7 Ų89.757%0.57355%0.548SS*.  trans82.5121.5-167.271.70000114.9Y204S202-Y204 PolarHBondContact O-N 3.25Å; S202-Y204 VanDerWaalsContact O-N 3.15Å
203P49.1Very low42.2Very low85 Ų8596.1 Ų96.155%0.55257%0.574SS**SBendtrans-74.46.7-178.128.6-32.7000114.3
204Y43.3Very low41.3Very low189 Ų18996.7 Ų96.774%0.74159%0.587SS**  trans-127.675-176-56.7-72000110.5S202 N206S202-Y204 PolarHBondContact O-N 3.25Å; S202-Y204 VanDerWaalsContact O-N 3.15Å; Y204-N206 PolarHBondContact O-N 3.48Å
205A38.7Very low40.4Very low69 Ų69100.6 Ų100.657%0.5762%0.622SS**  trans-89.3100.4166.800000109.1T207A205-T207 PolarHBondContact O-N 3.01Å
206N36Very low39.5Very low144 Ų144104.5 Ų104.577%0.7765%0.654SS**  trans-70.3123.3166.7-81-32.9000109Y204 A208Y204-N206 PolarHBondContact O-N 3.48Å; N206-A208 PolarHBondContact O-N 3.03Å
207T41.9Very low38.5Very low122 Ų122107.7 Ų107.775%0.74869%0.686SS**  trans-88.621.3178.5-0.10000113.1A205 E209A205-T207 PolarHBondContact O-N 3.01Å; T207-E209 PolarHBondContact O-N 3.48Å
208A35.4Very low37.5Very low86 Ų86112.5 Ų112.571%0.71173%0.727SS**  trans-96.574.8179.300000109.9N206N206-A208 PolarHBondContact O-N 3.03Å
209E36.8Very low36.4Very low188 Ų188114.1 Ų114.188%0.87975%0.748SS**  trans-178.676.6152.5-103.2170.9-177.400110.5T207T207-E209 PolarHBondContact O-N 3.48Å
210V37.9Very low35.8Very low141 Ų141117.4 Ų117.486%0.85577%0.767SS**  trans-131.694.5153.8-177.50000106.5
211L30.1Very low35.1Very low170 Ų170118.6 Ų118.689%0.8979%0.785SS**  trans-135.9142.8156.1-133.273.7000109.5
212P40Very low34.3Very low106 Ų106121.4 Ų121.469%0.68879%0.794SS**  trans-96.5128.7-166.333.9-22.6000111
213N35.6Very low34.2Very low169 Ų169122.3 Ų122.390%0.90480%0.8SS**  trans175.6105.8146.2-103.619.8000110.1
214A27.2Very low33.4Very low110 Ų110125.8 Ų125.891%0.90981%0.814SS**  trans-145.573.116400000109.1
215A28.2Very low33Very low103 Ų103125.3 Ų125.385%0.85182%0.823SS**  trans-125.675.3169.700000108.2
216A29.8Very low32.6Very low102 Ų102125.7 Ų125.784%0.84383%0.833SS**  trans171.287.1158.800000111.2
217A28.2Very low32.8Very low108 Ų108128.2 Ų128.289%0.89384%0.84SS**  trans-165.146.8163.500000113.5
218A28.1Very low32.2Very low107 Ų107127.2 Ų127.288%0.88485%0.845SS**  trans-126.547.5-175.300000114.2
219A28.9Very low31.9Very low94 Ų94127.2 Ų127.278%0.77785%0.853SS**SBendtrans-133.25.5-175.300000118.3
220T31.1Very low31.7Very low139 Ų139125 Ų12585%0.85385%0.847SS**SBendtrans-132.317.5-168.651.30000118.2
221A28.7Very low31.3Very low107 Ų107125.6 Ų125.688%0.88485%0.85SS**SBendtrans-115.715.9-177.600000116
222S29.7Very low31.4Very low128 Ų128121 Ų12190%0.89584%0.844SS**SBendtrans-102.34.2-173.1-1500000115.5
223S33.3Very low30.8Very low102 Ų102122.9 Ų122.971%0.71385%0.846SS**SBendtrans-107.22.1-169.962.60000117.7
224L32.5Very low30.5Very low158 Ų158118.1 Ų118.183%0.82784%0.836SS**SBendtrans-117.211.6-169.7-106.889000118
225L34.3Very low30.4Very low179 Ų179117.7 Ų117.794%0.93783%0.832SS**  trans-114.883.3174.8-133.574.1000111.8Q227L225-Q227 PolarHBondContact O-N 3.16Å
226G30Very low30.3Very low76 Ų76121.2 Ų121.278%0.78483%0.829SS**  trans-71.9104.7172.800000112.6A228G226-A228 PolarHBondContact O-N 3.4Å
227Q41.1Very low30.1Very low197 Ų197122 Ų12292%0.92183%0.826SS**  trans22.990.7133.1-156.4164.61.700118.6L225L225-Q227 PolarHBondContact O-N 3.16Å
228A29.1Very low30.3Very low102 Ų102121.4 Ų121.484%0.84382%0.82SS**  trans-159.5114.6148.900000112.4G226G226-A228 PolarHBondContact O-N 3.4Å
229G29.4Very low30.4Very low86 Ų86122.9 Ų122.989%0.88782%0.819SS**  trans90.179152.500000118.5
230L33.3Very low30.3Very low142 Ų142127.4 Ų127.474%0.74383%0.826SS**  trans-119.4115.4165.1-165.182.8000109.5
231T28Very low30.5Very low152 Ų152125.8 Ų125.893%0.93382%0.82SS**  trans-136.7105.8159.452.50000109.3
232G32.7Very low30.7Very low73 Ų73126.5 Ų126.575%0.75382%0.819SS**SBendtrans114.655.2165.100000116.4
233M28.4Very low30.9Very low147 Ų147126.3 Ų126.372%0.72480%0.802SS**SBendtrans-174.9135.8147.5-103.2168.676.100108.4F236M233-F236 HydrophobicContact CE-CE2 4.35Å
234G27.8Very low31.3Very low68 Ų68124.1 Ų124.170%0.70179%0.787SS**PPolyproline II helixtrans-55.8144.9-176.500000113.2F236G234-F236 PolarHBondContact O-N 3.01Å
235A25.9Very low31.5Very low101 Ų101119 Ų11984%0.83577%0.772SS**PPolyproline II helixtrans-53.2121.1-172.500000113.8
236F25.2Very low31.8Very low178 Ų178116.4 Ų116.478%0.78176%0.759SS**PPolyproline II helixtrans-79.7131.5166-87.6-98.1000109.8M233 G234 A238M233-F236 HydrophobicContact CE-CE2 4.35Å; G234-F236 PolarHBondContact O-N 3.01Å; F236-A238 PolarHBondContact O-N 3.28Å
237P26.7Very low32.2Very low119 Ų119116.5 Ų116.577%0.77374%0.742SS**PPolyproline II helixtrans-68.7117.9170.826.8-29.6000109.6T239P237-T239 PolarHBondContact O-N 3.07Å
238A31.3Very low32.1Very low94 Ų94111.6 Ų111.678%0.77772%0.721SS**  trans-67.9111.4168.800000109.3F236F236-A238 PolarHBondContact O-N 3.28Å
239T29.9Very low32.7Very low139 Ų139112.3 Ų112.385%0.85371%0.71SS**  trans178.369.215137.90000108.9P237P237-T239 PolarHBondContact O-N 3.07Å
240M28.6Very low33.4Very low188 Ų188110.8 Ų110.893%0.92669%0.689SS**PPolyproline II helixtrans-79.7129.3155.3-82.5-156.4-159.500108.4S242M240-S242 PolarHBondContact O-N 3.07Å
241S34.5Very low34.1Very low106 Ų106107.7 Ų107.774%0.74167%0.673SS**PPolyproline II helixtrans-46.3122.1168.535.50000111.4F243S241-F243 PolarHBondContact O-N 2.98Å
242S33.4Very low34.9Very low121 Ų121103.6 Ų103.685%0.84665%0.647SS**PPolyproline II helixtrans-59.4122.4174.5-171.80000110.2M240M240-S242 PolarHBondContact O-N 3.07Å
243F34.1Very low35.5Very low125 Ų125103.2 Ų103.255%0.54863%0.634SS.*PPolyproline II helixtrans-69.1133.4165.5-69.6-86.2000108.6S241 D247 L248 I251S241-F243 PolarHBondContact O-N 2.98Å; F243-D247 HydrophobicContact CB-CB 4.35Å; F243-D247 HydrophobicContact CD1-CB 4.15Å; F243-L248 HydrophobicContact CB-CD1 3.68Å; F243-L248 HydrophobicContact CB-CG 3.98Å; F243-I251 HydrophobicContact CD1-CD1 3.87Å; F243-I251 HydrophobicContact CE1-CD1 3.81Å
244S40.8Very low36.3Very low56 Ų5698.9 Ų98.939%0.39262%0.621SS.*PPolyproline II helixtrans-70.2155.717076.10000109.8N246 D247 L248S244-N246 PolarHBondContact O-N 3.01Å; S244-N246 VanDerWaalsContact O-N 3.09Å; S244-D247 VanDerWaalsContact CB-OD2 3.32Å; S244-D247 WeakPolarHBondContact CB-OD2 3.43Å; S244-D247 PolarHBondContact N-OD2 3.28Å; S244-D247 VanDerWaalsContact N-OD2 3.1Å; S244-D247 WeakPolarHBondContact O-CB 3.38Å; S244-D247 PolarHBondContact O-N 3.44Å; S244-D247 PolarHBondContact OG-N 3.12Å; S244-D247 PolarHBondContact OG-OD2 2.81Å; S244-L248 PolarHBondContact O-N 3.43Å; S244-L248 VanDerWaalsContact O-N 3.08Å
245G36.3Very low37.3Very low50 Ų5099.7 Ų99.752%0.51561%0.609SS.*Hα-helixtrans-55.6-28.917800000113.1L249G245-L249 WeakPolarHBondContact O-CB 3.31Å; G245-L249 VanDerWaalsContact O-CD1 3.32Å; G245-L249 WeakPolarHBondContact O-CD1 3.46Å; G245-L249 VanDerWaalsContact O-CG 3.29Å; G245-L249 WeakPolarHBondContact O-CG 3.37Å; G245-L249 PolarHBondContact O-N 2.88Å; G245-L249 VanDerWaalsContact O-N 3.08Å
246N41.9Very low38.3Very low125 Ų125100 Ų10067%0.66860%0.596SS**Hα-helixtrans-73.3-35.1174.9-75.710000112.7S244 L249 A250S244-N246 PolarHBondContact O-N 3.01Å; S244-N246 VanDerWaalsContact O-N 3.09Å; N246-L249 PolarHBondContact O-N 2.76Å; N246-A250 WeakPolarHBondContact O-CB 3.31Å; N246-A250 PolarHBondContact O-N 3.31Å
247D37Very low39.3Very low78 Ų7895.1 Ų95.142%0.41758%0.581SS.*Hα-helixtrans-68.6-40.9175.8-59.6-47.5000110.7F243 S244 A250 I251F243-D247 HydrophobicContact CB-CB 4.35Å; F243-D247 HydrophobicContact CD1-CB 4.15Å; S244-D247 VanDerWaalsContact CB-OD2 3.32Å; S244-D247 WeakPolarHBondContact CB-OD2 3.43Å; S244-D247 PolarHBondContact N-OD2 3.28Å; S244-D247 VanDerWaalsContact N-OD2 3.1Å; S244-D247 WeakPolarHBondContact O-CB 3.38Å; S244-D247 PolarHBondContact O-N 3.44Å; S244-D247 PolarHBondContact OG-N 3.12Å; S244-D247 PolarHBondContact OG-OD2 2.81Å; D247-A250 PolarHBondContact O-N 3.34Å; D247-I251 WeakPolarHBondContact O-CB 3.4Å; D247-I251 VanDerWaalsContact O-CD1 3.24Å; D247-I251 WeakPolarHBondContact O-CD1 3.25Å; D247-I251 WeakPolarHBondContact O-CG1 3.5Å; D247-I251 PolarHBondContact O-N 3.22Å
248L39.6Very low40.1Very low93 Ų9393.1 Ų93.149%0.48756%0.564SS.*Hα-helixtrans-64.9-38.9175.1-91.9143.3000112.5F243 S244 T252F243-L248 HydrophobicContact CB-CD1 3.68Å; F243-L248 HydrophobicContact CB-CG 3.98Å; S244-L248 PolarHBondContact O-N 3.43Å; S244-L248 VanDerWaalsContact O-N 3.08Å; L248-T252 VanDerWaalsContact O-CB 3.24Å; L248-T252 WeakPolarHBondContact O-CB 3.22Å; L248-T252 PolarHBondContact O-N 2.78Å; L248-T252 PolarHBondContact O-OG1 2.8Å
249L41.2Very low40.7Very low118 Ų11891.5 Ų91.562%0.61855%0.55SS**Hα-helixtrans-66.9-42.8174.8-79.9160.6000111.9G245 N246 T252 S253G245-L249 WeakPolarHBondContact O-CB 3.31Å; G245-L249 VanDerWaalsContact O-CD1 3.32Å; G245-L249 WeakPolarHBondContact O-CD1 3.46Å; G245-L249 VanDerWaalsContact O-CG 3.29Å; G245-L249 WeakPolarHBondContact O-CG 3.37Å; G245-L249 PolarHBondContact O-N 2.88Å; G245-L249 VanDerWaalsContact O-N 3.08Å; N246-L249 PolarHBondContact O-N 2.76Å; L249-T252 PolarHBondContact O-N 2.78Å; L249-S253 WeakPolarHBondContact O-CB 3.31Å; L249-S253 PolarHBondContact O-N 3.13Å; L249-S253 PolarHBondContact O-OG 3.31Å
250A45.1Very low41.3Very low54 Ų5489.1 Ų89.145%0.44654%0.539SS..Hα-helixtrans-63.4-45.6176.800000111.4N246 D247 T252 S253 A254N246-A250 WeakPolarHBondContact O-CB 3.31Å; N246-A250 PolarHBondContact O-N 3.31Å; D247-A250 PolarHBondContact O-N 3.34Å; A250-T252 PolarHBondContact O-N 2.82Å; A250-S253 PolarHBondContact O-N 3.49Å; A250-S253 PolarHBondContact O-OG 3.47Å; A250-A254 WeakPolarHBondContact O-CB 3.35Å; A250-A254 PolarHBondContact O-N 2.98Å
251I48.3Very low41.8Very low77 Ų7788.4 Ų88.440%0.39553%0.527SS..Hα-helixtrans-63.5-42.3177.3-67.1162.9000110.8F243 D247 A254 L255F243-I251 HydrophobicContact CD1-CD1 3.87Å; F243-I251 HydrophobicContact CE1-CD1 3.81Å; D247-I251 WeakPolarHBondContact O-CB 3.4Å; D247-I251 VanDerWaalsContact O-CD1 3.24Å; D247-I251 WeakPolarHBondContact O-CD1 3.25Å; D247-I251 WeakPolarHBondContact O-CG1 3.5Å; D247-I251 PolarHBondContact O-N 3.22Å; I251-A254 PolarHBondContact O-N 3.18Å; I251-L255 HydrophobicContact CG2-CD1 3.89Å; I251-L255 WeakPolarHBondContact O-CB 3.24Å; I251-L255 WeakPolarHBondContact O-CG 3.34Å; I251-L255 PolarHBondContact O-N 3.17Å
252T44.4Very low42.1Very low65 Ų6586.2 Ų86.240%0.39952%0.522SS..Hα-helixtrans-66.9-39.5178.6-58.80000112.1L248 L249 A250 N256L248-T252 VanDerWaalsContact O-CB 3.24Å; L248-T252 WeakPolarHBondContact O-CB 3.22Å; L248-T252 PolarHBondContact O-N 2.78Å; L248-T252 PolarHBondContact O-OG1 2.8Å; L249-T252 PolarHBondContact O-N 2.78Å; A250-T252 PolarHBondContact O-N 2.82Å; T252-N256 WeakPolarHBondContact O-CB 3.46Å; T252-N256 PolarHBondContact O-N 3.38Å; T252-N256 PolarHBondContact O-ND2 3.27Å
253S45.3Very low42.5Very low66 Ų6687.3 Ų87.346%0.46251%0.508SS..Hα-helixtrans-66.7-42.6176.671.10000111.7L249 A250 L255 N256 T257L249-S253 WeakPolarHBondContact O-CB 3.31Å; L249-S253 PolarHBondContact O-N 3.13Å; L249-S253 PolarHBondContact O-OG 3.31Å; A250-S253 PolarHBondContact O-N 3.49Å; A250-S253 PolarHBondContact O-OG 3.47Å; S253-L255 PolarHBondContact O-N 3.29Å; S253-N256 PolarHBondContact O-N 2.62Å; S253-T257 PolarHBondContact O-N 3.13Å; S253-T257 PolarHBondContact O-OG1 3.07Å
254A45.7Very low43.2Very low56 Ų5687 Ų8746%0.46351%0.512SS..Hα-helixtrans-64.9-39.8178.300000112.2A250 I251 T257 L258A250-A254 WeakPolarHBondContact O-CB 3.35Å; A250-A254 PolarHBondContact O-N 2.98Å; I251-A254 PolarHBondContact O-N 3.18Å; A254-T257 PolarHBondContact O-N 2.94Å; A254-L258 PolarHBondContact O-N 2.9Å
255L47.9Very low43.5Very low84 Ų8488 Ų8844%0.4452%0.516SS..Hα-helixtrans-67.6-38.4175.7-77.1164.9000112.4I251 S253 L258 A259 T265I251-L255 HydrophobicContact CG2-CD1 3.89Å; I251-L255 WeakPolarHBondContact O-CB 3.24Å; I251-L255 WeakPolarHBondContact O-CG 3.34Å; I251-L255 PolarHBondContact O-N 3.17Å; S253-L255 PolarHBondContact O-N 3.29Å; L255-L258 PolarHBondContact O-N 3.09Å; L255-A259 WeakPolarHBondContact O-CB 2.88Å; L255-A259 PolarHBondContact O-N 2.84Å; L255-T265 HydrophobicContact CD2-CG2 4.01Å
256N46.1Very low43.7Very low108 Ų10892.3 Ų92.358%0.57853%0.527SS*.Hα-helixtrans-65.7-39.2174.3-92.6-46.5000112.6T252 S253 A259 S260T252-N256 WeakPolarHBondContact O-CB 3.46Å; T252-N256 PolarHBondContact O-N 3.38Å; T252-N256 PolarHBondContact O-ND2 3.27Å; S253-N256 PolarHBondContact O-N 2.62Å; N256-A259 PolarHBondContact O-N 2.83Å; N256-S260 PolarHBondContact O-N 3.43Å
257T47.4Very low43.6Very low76 Ų7691.6 Ų91.647%0.46653%0.527SS..Hα-helixtrans-64.3-43.7174.2-53.80000110.6S253 A254 A259 S260 Y261S253-T257 PolarHBondContact O-N 3.13Å; S253-T257 PolarHBondContact O-OG1 3.07Å; A254-T257 PolarHBondContact O-N 2.94Å; T257-A259 VanDerWaalsContact C-N 3.33Å; T257-A259 PolarHBondContact O-N 2.85Å; T257-S260 WeakPolarHBondContact O-CB 3.41Å; T257-S260 PolarHBondContact O-N 2.87Å; T257-S260 VanDerWaalsContact O-N 3.15Å; T257-S260 PolarHBondContact O-OG 3.17Å; T257-Y261 HydrophobicContact CG2-CD2 4.22Å; T257-Y261 HydrophobicContact CG2-CE2 3.84Å; T257-Y261 WeakPolarHBondContact O-CD2 3.28Å; T257-Y261 PolarHBondContact O-N 2.77Å
258L42.3Very low43.9Very low77 Ų7792.5 Ų92.540%0.40353%0.532SS..Hα-helixtrans-62.6-39.6176.9-127.870.9000112.8A254 L255 S260 Y261 G262 Y263 L268A254-L258 PolarHBondContact O-N 2.9Å; L255-L258 PolarHBondContact O-N 3.09Å; L258-S260 VanDerWaalsContact C-N 3.32Å; L258-S260 PolarHBondContact O-N 3.45Å; L258-Y261 PolarHBondContact O-N 3.34Å; L258-G262 PolarHBondContact O-N 3.24Å; L258-Y263 PolarHBondContact O-N 2.8Å; L258-L268 HydrophobicContact CD2-CD1 4.21Å
259A44.7Very low43.8Very low59 Ų5991.5 Ų91.549%0.48854%0.544SS..Hα-helixtrans-64.6-35.117500000112.3L255 N256 T257 Y261 G262L255-A259 WeakPolarHBondContact O-CB 2.88Å; L255-A259 PolarHBondContact O-N 2.84Å; N256-A259 PolarHBondContact O-N 2.83Å; T257-A259 VanDerWaalsContact C-N 3.33Å; T257-A259 PolarHBondContact O-N 2.85Å; A259-Y261 PolarHBondContact O-N 2.95Å; A259-G262 PolarHBondContact O-N 3.13Å
260S42.1Very low43.8Very low89 Ų8991.6 Ų91.662%0.62255%0.545SS*.Hα-helixtrans-64.7-22.8175.378.70000113.7N256 T257 L258N256-S260 PolarHBondContact O-N 3.43Å; T257-S260 WeakPolarHBondContact O-CB 3.41Å; T257-S260 PolarHBondContact O-N 2.87Å; T257-S260 VanDerWaalsContact O-N 3.15Å; T257-S260 PolarHBondContact O-OG 3.17Å; L258-S260 VanDerWaalsContact C-N 3.32Å; L258-S260 PolarHBondContact O-N 3.45Å
261Y39.6Very low43.5Very low174 Ų17492.5 Ų92.568%0.68256%0.559SS**THydrogen-bonded Turntrans-95.39.1174.2-69.7-74000113.4T257 L258 A259T257-Y261 HydrophobicContact CG2-CD2 4.22Å; T257-Y261 HydrophobicContact CG2-CE2 3.84Å; T257-Y261 WeakPolarHBondContact O-CD2 3.28Å; T257-Y261 PolarHBondContact O-N 2.77Å; L258-Y261 PolarHBondContact O-N 3.34Å; A259-Y261 PolarHBondContact O-N 2.95Å
262G40.3Very low43Very low60 Ų6096 Ų9662%0.61958%0.577SS**THydrogen-bonded Turntrans84.89.317400000115.4L258 A259 N264L258-G262 PolarHBondContact O-N 3.24Å; A259-G262 PolarHBondContact O-N 3.13Å; G262-N264 PolarHBondContact O-N 2.98Å
263Y41.4Very low42.7Very low144 Ų14498.6 Ų98.657%0.56559%0.589SS**  trans-87.8105.3176.9-65.4-83.8000110.4L258L258-Y263 PolarHBondContact O-N 2.8Å
264N50.5Low42.5Very low118 Ų118100.3 Ų100.363%0.63160%0.599SS**  trans-82.5139.6171.8-98.4-87.2000110.7G262 N266 T267G262-N264 PolarHBondContact O-N 2.98Å; N264-N266 PolarHBondContact O-N 3.48Å; N264-T267 PolarHBondContact O-N 3.3Å; N264-T267 PolarHBondContact O-OG1 3.04Å
265T46Very low42.1Very low76 Ų76101.6 Ų101.647%0.46661%0.61SS.*G310 helixtrans-57.5-11.6-178.553.30000114.5L255L255-T265 HydrophobicContact CD2-CG2 4.01Å
266N41.2Very low41.5Very low142 Ų142100.8 Ų100.876%0.75962%0.615SS**G310 helixtrans-76.1-23.7175.3-146.710.5000113.5N264 L268N264-N266 PolarHBondContact O-N 3.48Å; N266-L268 VanDerWaalsContact C-N 3.28Å; N266-L268 PolarHBondContact O-N 3.4Å
267T40.4Very low41.1Very low109 Ų10998.6 Ų98.667%0.66961%0.611SS**G310 helixtrans-82.1-7176.361.40000113.4N264N264-T267 PolarHBondContact O-N 3.3Å; N264-T267 PolarHBondContact O-OG1 3.04Å
268L41.8Very low40.5Very low98 Ų9899.2 Ų99.251%0.51362%0.619SS.*G310 helixtrans-98.83.2179.7-76.1150.4000113.5L258 N266 L270L258-L268 HydrophobicContact CD2-CD1 4.21Å; N266-L268 VanDerWaalsContact C-N 3.28Å; N266-L268 PolarHBondContact O-N 3.4Å; L268-L270 VanDerWaalsContact C-N 3.33Å; L268-L270 HydrophobicContact CB-CD1 4.22Å; L268-L270 PolarHBondContact O-N 3.03Å
269G37.5Very low40.1Very low72 Ų7298 Ų9874%0.74263%0.625SS**THydrogen-bonded Turntrans66.326.1172.900000115.5
270L41.8Very low39.7Very low120 Ų120100 Ų10063%0.62863%0.631SS**  trans-89.3-0.6-175.5-78.2161000115.2L268 L272L268-L270 VanDerWaalsContact C-N 3.33Å; L268-L270 HydrophobicContact CB-CD1 4.22Å; L268-L270 PolarHBondContact O-N 3.03Å; L270-L272 VanDerWaalsContact C-N 3.35Å; L270-L272 PolarHBondContact O-N 2.85Å; L270-L272 VanDerWaalsContact O-N 3.15Å
271G38.6Very low39.3Very low73 Ų73101.8 Ų101.875%0.75363%0.633SS**  trans58.630.9163.800000117.2
272L38.9Very low39.1Very low149 Ų14996.5 Ų96.578%0.7863%0.625SS**  trans-91.7122.8177.8-62.2177.6000111.2L270L270-L272 VanDerWaalsContact C-N 3.35Å; L270-L272 PolarHBondContact O-N 2.85Å; L270-L272 VanDerWaalsContact O-N 3.15Å
273N37.3Very low38.8Very low120 Ų12097 Ų9764%0.64262%0.623SS**  trans-70.1131-177.6-167.936.5000111.7A275 A276N273-A275 VanDerWaalsContact C-N 3.28Å; N273-A275 PolarHBondContact O-N 2.74Å; N273-A275 VanDerWaalsContact O-N 3.14Å; N273-A276 PolarHBondContact O-N 3.24Å
274P40.2Very low38.6Very low103 Ų10394.6 Ų94.667%0.66962%0.623SS**Hα-helixtrans-64.2-24.1-168.3-21.331.8000115.5
275A37.7Very low37.8Very low83 Ų8390.2 Ų90.269%0.68660%0.604SS**Hα-helixtrans-76.1-24-176.700000113.8N273N273-A275 VanDerWaalsContact C-N 3.28Å; N273-A275 PolarHBondContact O-N 2.74Å; N273-A275 VanDerWaalsContact O-N 3.14Å
276A36.1Very low37.3Very low67 Ų6790 Ų9055%0.55461%0.609SS**Hα-helixtrans-87.3-23.5-178.700000112.9N273 V280N273-A276 PolarHBondContact O-N 3.24Å; A276-V280 WeakPolarHBondContact O-CG2 3.49Å
277A37.4Very low37.1Very low61 Ų6188 Ų8850%0.50461%0.607SS.*Hα-helixtrans-75.1-36-179.400000112.4L281A277-L281 WeakPolarHBondContact O-CB 2.82Å; A277-L281 PolarHBondContact O-N 2.94Å
278S35.2Very low37.1Very low90 Ų9086.9 Ų86.963%0.62961%0.608SS**Hα-helixtrans-70.6-33.1-177-70.90000114.1A282S278-A282 WeakPolarHBondContact O-CB 3.46Å; S278-A282 PolarHBondContact O-N 3.36Å
279G33.1Very low36.9Very low51 Ų5186.3 Ų86.353%0.52661%0.606SS.*Hα-helixtrans-75.3-38.7-179.500000113.7A283G279-A283 PolarHBondContact O-N 3.09Å
280V35.9Very low37.1Very low102 Ų10288.5 Ų88.562%0.61861%0.607SS**Hα-helixtrans-76.6-33.7-177.4-1770000111.2A276 V284A276-V280 WeakPolarHBondContact O-CG2 3.49Å; V280-V284 WeakPolarHBondContact O-CG2 3.43Å; V280-V284 PolarHBondContact O-N 3.41Å
281L35.5Very low36.9Very low126 Ų12686.1 Ų86.166%0.6661%0.605SS**Hα-helixtrans-72.6-35.3178.9-147.676.7000112.5A277 A285A277-L281 WeakPolarHBondContact O-CB 2.82Å; A277-L281 PolarHBondContact O-N 2.94Å; L281-A285 VanDerWaalsContact O-CB 3.29Å; L281-A285 WeakPolarHBondContact O-CB 3.42Å; L281-A285 PolarHBondContact O-N 3.41Å
282A34.8Very low36.9Very low63 Ų6384.8 Ų84.852%0.52159%0.587SS.*Hα-helixtrans-69.8-36.7178.200000112.9S278 A286S278-A282 WeakPolarHBondContact O-CB 3.46Å; S278-A282 PolarHBondContact O-N 3.36Å; A282-A286 WeakPolarHBondContact O-CB 3.47Å; A282-A286 PolarHBondContact O-N 3.38Å
283A34.2Very low36.9Very low70 Ų7079.8 Ų79.858%0.57957%0.567SS**Hα-helixtrans-72.6-31.8177.500000113G279G279-A283 PolarHBondContact O-N 3.09Å
284V36Very low36.8Very low93 Ų9377 Ų7756%0.56456%0.56SS**Hα-helixtrans-82.6-32.1178.31720000112.3V280 S287V280-V284 WeakPolarHBondContact O-CG2 3.43Å; V280-V284 PolarHBondContact O-N 3.41Å; V284-S287 PolarHBondContact O-OG 3.5Å
285A35.1Very low36.5Very low27 Ų2775.1 Ų75.122%0.22355%0.553CS.*Hα-helixtrans-72.5-33.5175.800000112.8L281 S287 A288L281-A285 VanDerWaalsContact O-CB 3.29Å; L281-A285 WeakPolarHBondContact O-CB 3.42Å; L281-A285 PolarHBondContact O-N 3.41Å; A285-S287 VanDerWaalsContact C-N 3.28Å; A285-S287 PolarHBondContact O-N 3.48Å; A285-A288 PolarHBondContact O-N 3.32Å
286A34.6Very low36.6Very low70 Ų7073.8 Ų73.858%0.57954%0.543SS*.Hα-helixtrans-68.8-23.5177.700000113.5A282A282-A286 WeakPolarHBondContact O-CB 3.47Å; A282-A286 PolarHBondContact O-N 3.38Å
287S36.4Very low36.7Very low102 Ų10276.5 Ų76.571%0.71355%0.548SS*.THydrogen-bonded Turntrans-87.8-8.7177.7640000114.1V284 A285V284-S287 PolarHBondContact O-OG 3.5Å; A285-S287 VanDerWaalsContact C-N 3.28Å; A285-S287 PolarHBondContact O-N 3.48Å
288A40.8Very low36.6Very low84 Ų8478.9 Ų78.969%0.69455%0.552SS**THydrogen-bonded Turntrans-103.2-38.4-17500000114.3A285A285-A288 PolarHBondContact O-N 3.32Å
289N38.4Very low36.9Very low87 Ų8780.8 Ų80.847%0.46555%0.554SS.*  trans-170.3129.1178.1-162.1-13.3000112.4A291 A292N289-A291 PolarHBondContact O-N 3.15Å; N289-A291 VanDerWaalsContact O-N 3.15Å; N289-A292 HydrophobicContact CB-CB 4.33Å; N289-A292 PolarHBondContact O-N 3.35Å
290P40.4Very low37.1Very low118 Ų11881.1 Ų81.177%0.76655%0.552SS**Hα-helixtrans-63.2-19.2178.320.9-31.8000115
291A37.5Very low37Very low70 Ų7079.5 Ų79.558%0.57955%0.545SS*.Hα-helixtrans-77.1-24.3174.100000113.6N289N289-A291 PolarHBondContact O-N 3.15Å; N289-A291 VanDerWaalsContact O-N 3.15Å
292A40.1Very low37Very low45 Ų4582.1 Ų82.137%0.37255%0.548SS..Hα-helixtrans-78.5-24178.900000112.6N289 A294 A295 A296N289-A292 HydrophobicContact CB-CB 4.33Å; N289-A292 PolarHBondContact O-N 3.35Å; A292-A294 VanDerWaalsContact C-N 3.33Å; A292-A294 PolarHBondContact O-N 3.15Å; A292-A295 PolarHBondContact O-N 3.3Å; A292-A296 PolarHBondContact O-N 3.33Å
293A37.8Very low37.2Very low44 Ų4482.6 Ų82.636%0.36455%0.551SS.*Hα-helixtrans-67-31.6175.400000112.7N297A293-N297 PolarHBondContact O-N 3.48Å
294A35.7Very low37.3Very low61 Ų6185.5 Ų85.550%0.50456%0.557SS.*Hα-helixtrans-70.6-35177.500000112.6A292 L298A292-A294 VanDerWaalsContact C-N 3.33Å; A292-A294 PolarHBondContact O-N 3.15Å; A294-L298 WeakPolarHBondContact O-CG 3.46Å; A294-L298 PolarHBondContact O-N 3.26Å
295A34.3Very low37.2Very low63 Ų6387.8 Ų87.852%0.52157%0.566SS.*Hα-helixtrans-75.5-36.817900000112.7A292 N297 L298 L299A292-A295 PolarHBondContact O-N 3.3Å; A295-N297 VanDerWaalsContact C-N 3.3Å; A295-N297 PolarHBondContact O-N 3.34Å; A295-L298 PolarHBondContact O-N 2.77Å; A295-L299 PolarHBondContact O-N 3.13Å
296A39.2Very low37.1Very low56 Ų5691 Ų9146%0.46359%0.592SS.*Hα-helixtrans-66.1-32.9174.800000112.3A292 A300A292-A296 PolarHBondContact O-N 3.33Å; A296-A300 PolarHBondContact O-N 2.76Å
297N37.9Very low37.1Very low123 Ų12392 Ų9266%0.65860%0.596SS**Hα-helixtrans-77.8-27.3179.4-142.429.1000113A293 A295A293-N297 PolarHBondContact O-N 3.48Å; A295-N297 VanDerWaalsContact C-N 3.3Å; A295-N297 PolarHBondContact O-N 3.34Å
298L35.8Very low36.8Very low112 Ų11292.6 Ų92.659%0.58660%0.6SS**Hα-helixtrans-71.6-30172.9-75.4168.5000112.5A294 A295 S301 Y302A294-L298 WeakPolarHBondContact O-CG 3.46Å; A294-L298 PolarHBondContact O-N 3.26Å; A295-L298 PolarHBondContact O-N 2.77Å; L298-S301 PolarHBondContact O-OG 2.93Å; L298-Y302 WeakPolarHBondContact O-CD2 3.26Å
299L40.7Very low36.3Very low129 Ų12994 Ų9468%0.67561%0.605SS**Hα-helixtrans-76-29.1177.5-168.659000112.4A295 S301 Y302 A303A295-L299 PolarHBondContact O-N 3.13Å; L299-S301 VanDerWaalsContact C-N 3.34Å; L299-S301 PolarHBondContact O-N 2.82Å; L299-Y302 PolarHBondContact O-N 2.8Å; L299-A303 PolarHBondContact O-N 2.85Å
300A38.1Very low35.9Very low59 Ų5995 Ų9549%0.48862%0.624SS.*Hα-helixtrans-68-30.3175.100000113.1A296A296-A300 PolarHBondContact O-N 2.76Å
301S34.6Very low35.2Very low68 Ų6892.6 Ų92.648%0.47662%0.621SS.*Hα-helixtrans-72-28.6175.142.50000113.7L298 L299L298-S301 PolarHBondContact O-OG 2.93Å; L299-S301 VanDerWaalsContact C-N 3.34Å; L299-S301 PolarHBondContact O-N 2.82Å
302Y33.8Very low34.6Very low181 Ų18198.5 Ų98.571%0.7164%0.636SS**Hα-helixtrans-82.9-19.5177.7-76.3-71.7000113.7L298 L299L298-Y302 WeakPolarHBondContact O-CD2 3.26Å; L299-Y302 PolarHBondContact O-N 2.8Å
303A39.8Very low34.4Very low73 Ų73101.7 Ų101.760%0.60365%0.653SS**Hα-helixtrans-79.5-17.3-17900000113.7L299L299-A303 PolarHBondContact O-N 2.85Å
304N36.7Very low34.1Very low130 Ų130103.7 Ų103.770%0.69567%0.67SS**SBendtrans-90.9-9.9-176.1-146.939000114.1
305D32.5Very low33.5Very low141 Ų141108.1 Ų108.175%0.75469%0.691SS**THydrogen-bonded Turntrans-84.1-6.4177.3-86-54.1000113.7
306A34.2Very low33.1Very low94 Ų94109.2 Ų109.278%0.77771%0.708SS**THydrogen-bonded Turntrans-93.36.1-176.200000114.9
307S34.5Very low32.8Very low92 Ų92115.4 Ų115.464%0.64373%0.733SS**SBendtrans-140.565.9178.767.80000114.1
308S29.6Very low32.2Very low114 Ų114113.4 Ų113.480%0.79774%0.741SS**  trans-153.4128.9148.454.80000111.2
309S31Very low31.8Very low115 Ų115112 Ų11280%0.80475%0.753SS**  trans-67.6146.1-171.151.80000115.8
310A29.5Very low31Very low106 Ų106116.6 Ų116.688%0.87677%0.768SS**  trans40.3115.7143.300000120.2
311G25.1Very low30.6Very low68 Ų68119.7 Ų119.770%0.70179%0.786SS**  trans142.894.5145.700000119
312H26.1Very low30.5Very low194 Ų194125.1 Ų125.190%0.89881%0.809SS**  trans64.7159.2147-77.468.5000121.4
313P36.1Very low30.4Very low112 Ų112119.8 Ų119.873%0.72781%0.81SS**  trans-107.7162.7-134.340.1-35.8000117.9
314A30.4Very low29.9Very low87 Ų87122.3 Ų122.372%0.71982%0.823SS**  trans60.7120.1150.300000120.6
315T24.4Very low29.8Very low153 Ų153124.8 Ų124.894%0.93984%0.835SS**  159.5144.4121.641.30000111.3
316G25Very low29.9Very low86 Ų86122.7 Ų122.789%0.88784%0.837SS**  trans116.2127.8149.500000118.5
317L33.7Very low29.7Very low187 Ų187123.1 Ų123.198%0.97984%0.841SS**  trans-89.7139.9-178.5-16482000111.2
318G25.3Very low29.5Very low81 Ų81123.4 Ų123.484%0.83585%0.849SS**  trans126.1138.6149.900000120.2
319G27.1Very low29.5Very low81 Ų81125.1 Ų125.184%0.83586%0.855SS**  trans106.8105.8143.600000119.1
320F24.3Very low29.3Very low226 Ų226123.5 Ų123.599%0.99186%0.856SS**  trans-84.1130162.8-72.8-87.9000110.3
321S28.5Very low29.2Very low124 Ų124123 Ų12387%0.86785%0.852SS**  trans-122127.4174.7-173.10000111.8
322L32.8Very low29.2Very low182 Ų182124.9 Ų124.995%0.95386%0.855SS**  trans-91.192.4-176.3-172.381.7000109.3
323G32.1Very low29.5Very low70 Ų70124 Ų12472%0.72286%0.856SS**  trans178.570.3-179.700000116.6
324S29.7Very low29Very low125 Ų125121.4 Ų121.487%0.87485%0.85SS**  trans-169.764.3160.947.40000112.4
325L34.3Very low28.8Very low182 Ų182128.6 Ų128.695%0.95386%0.861SS**  trans-110.516.8167.9-159.567.6000112.6
326A33.5Very low29Very low98 Ų98129.8 Ų129.881%0.8186%0.86SS**  trans-128.360.6-168.600000112.7
327A30.2Very low29Very low102 Ų102133.4 Ų133.484%0.84386%0.859SS**SBendtrans-168.884.2162.800000111.6
328A30.7Very low28.7Very low99 Ų99127.8 Ų127.882%0.81884%0.84SS**SBendtrans176.450.6146.300000111.4
329T29.8Very low28.7Very low150 Ų150129 Ų12992%0.9284%0.835SS**  trans-139108.5152.9450000107.5
330G26.1Very low28.7Very low81 Ų81130.6 Ų130.684%0.83583%0.834SS**  trans-171.481.4-176.700000112.6
331A27.8Very low29.4Very low95 Ų95125.1 Ų125.179%0.78582%0.821SS**  trans165.3118.7151.900000107.5
332S25.9Very low29.5Very low108 Ų108126.7 Ų126.776%0.75582%0.819SS**  cis-163.9139.314.8-510000110.5
333N31Very low29.3Very low174 Ų174126.5 Ų126.593%0.9382%0.815SS**  trans41.2134.4154.7-70.520.2000121.5
334G26.3Very low29.6Very low59 Ų59127.7 Ų127.761%0.60882%0.818SS**  cis171.8178.59.600000112
335Y27.2Very low29.8Very low238 Ų238127.1 Ų127.193%0.93381%0.814SS**  trans91.190.1177.1-54.7-72.9000117
336L27.8Very low29.7Very low177 Ų177123.3 Ų123.393%0.92780%0.803SS**  trans-79.6135.2158.3-59.3170.7000110
337N25.1Very low29.8Very low163 Ų163127.1 Ų127.187%0.87281%0.809SS**  trans-173.5145.1137.1-141.55.9000106.9
338A27.3Very low30Very low69 Ų69130.8 Ų130.857%0.5781%0.813SS**  cis-158.4170.49.100000107.2
339S25.7Very low30Very low105 Ų105130.3 Ų130.373%0.73481%0.809SS**  trans73.6102.2150.154.60000120.4
340S26.9Very low30.1Very low115 Ų115129.5 Ų129.580%0.80480%0.804SS**  100.4129.3123.4-580000119.2
341P39.4Very low30.9Very low112 Ų112134.4 Ų134.473%0.72781%0.805SS**  trans-91.4171.3-178.138.9-34.7000112.5
342L29.5Very low31.1Very low156 Ų156138.7 Ų138.782%0.81781%0.806SS**  trans82.1110.6167.8-63.2149.7000116.9
343M28.2Very low31.5Very low178 Ų178140.5 Ų140.588%0.87781%0.806SS**  -167.5101108.5-92.3-59.8175.300109.6
344A38.4Very low31.7Very low96 Ų96137 Ų13779%0.79380%0.802SS**  trans-82.3105.3152.100000107.1
345S35.6Very low32.3Very low113 Ų113141.1 Ų141.179%0.7981%0.81SS**  trans178.5101.4156.6-87.90000109.9
346S31.6Very low33.2Very low101 Ų101132.2 Ų132.271%0.70679%0.791SS**  trans-168.760147.1-1780000109.2
347L36.2Very low34.4Very low179 Ų179127.8 Ų127.894%0.93778%0.779SS**SBendtrans-68.5121.4147-78.5145.9000105.5
348L34.1Very low36.2Very low179 Ų179127.5 Ų127.594%0.93777%0.77SS**  trans91.586.5170.6-146.171000117.3
349A29.9Very low38.5Very low88 Ų88127.1 Ų127.173%0.72776%0.759SS**  trans-147.1126.9153.200000111.6
350T32.8Very low41.3Very low133 Ų133125.8 Ų125.882%0.81675%0.746SS**  trans-26.9143.2169-64.10000118.2
351E42.2Very low44Very low184 Ų184121.5 Ų121.586%0.8672%0.715SS**  trans-25.7122158.8-66.8166.283.400115.3
352K33.1Very low46.2Very low186 Ų186122.7 Ų122.781%0.80971%0.711SS**  174.7144.6117.7-123.1179.9169.1-177.30111.9
353L34.3Very low49Very low145 Ų145116.4 Ų116.476%0.75968%0.678SS**  trans78.290.3155.8-64.4152.1000116.8
354A33.3Very low51.6Low101 Ų101110.4 Ų110.484%0.83566%0.657SS**  trans-117.6116.9131.800000107G356A354-G356 VanDerWaalsContact C-N 3.26Å; A354-G356 PolarHBondContact O-N 3.08Å
355D39.6Very low53.8Low146 Ų146105.9 Ų105.978%0.78162%0.619SS**  trans-66.685177.2-159.1-68.5000108.6
356G46.5Very low56Low51 Ų51102.1 Ų102.153%0.52659%0.592SS.*  trans-77.9121.7167.400000107.8A354 K358A354-G356 VanDerWaalsContact C-N 3.26Å; A354-G356 PolarHBondContact O-N 3.08Å; G356-K358 PolarHBondContact O-N 3.38Å
357A53.8Low58.4Low83 Ų83100 Ų10069%0.68657%0.571SS**  trans-40.4104179.200000110.6D359A357-D359 PolarHBondContact O-N 3.12Å; A357-D359 VanDerWaalsContact O-N 3.17Å
358K61.8Low60.5Low157 Ų15795.7 Ų95.768%0.68355%0.549SS*.  trans-75.2107.1177.2-68.2178.4-175.5167.30106.5G356 T412 G413G356-K358 PolarHBondContact O-N 3.38Å; K358-T412 HydrophobicContact CB-CG2 4.26Å; K358-G413 CarbonylContact C-O 3.54Å; K358-G413 WeakPolarHBondContact CA-O 3.42Å
359D75.8Confident62.7Low62 Ų6287.3 Ų87.333%0.33251%0.505SS..EExtended strand (participates in β ladder)trans-69.8136.5174.3-17241.3000108.4A357 V361 T412 G413 P415 T418A357-D359 PolarHBondContact O-N 3.12Å; A357-D359 VanDerWaalsContact O-N 3.17Å; D359-V361 WeakPolarHBondContact OD2-CG2 3.34Å; D359-T412 WeakPolarHBondContact O-CA 3.38Å; D359-G413 PolarHBondContact N-O 3.38Å; D359-G413 PolarHBondContact O-N 2.98Å; D359-G413 VanDerWaalsContact O-N 3.12Å; D359-P415 HydrophobicContact CB-CG 4.26Å; D359-T418 HydrophobicContact CB-CG2 4.01Å; D359-T418 VanDerWaalsContact O-CG2 3.3Å; D359-T418 WeakPolarHBondContact O-CG2 3.29Å; D359-T418 PolarHBondContact OD2-OG1 3.42Å
360V84.1Confident65.2Low77 Ų7783.4 Ų83.447%0.46747%0.472SS..EExtended strand (participates in β ladder)trans-123111.9-179.6-178.20000107.9T410 I411 T412V360-T410 HydrophobicContact CG1-CG2 3.82Å; V360-I411 CarbonylContact C-O 3.54Å; V360-I411 VanDerWaalsContact CA-O 3.32Å; V360-I411 WeakPolarHBondContact CA-O 3.38Å; V360-T412 HydrophobicContact CG2-CG2 4Å
361V84.4Confident67.5Low24 Ų2479.5 Ų79.515%0.14546%0.459CS..EExtended strand (participates in β ladder)trans-110.6125.6-178.2179.60000109.2D359 I363 I411 T418D359-V361 WeakPolarHBondContact OD2-CG2 3.34Å; V361-I363 HydrophobicContact CG1-CG1 4.18Å; V361-I411 HydrophobicContact CB-CB 4.39Å; V361-I411 PolarHBondContact N-O 3.3Å; V361-I411 PolarHBondContact O-N 3.01Å; V361-T418 HydrophobicContact CG2-CG2 4.37Å
362E85.4Confident69.3Low137 Ų13771.3 Ų71.364%0.6442%0.422SS*.EExtended strand (participates in β ladder)trans-109126.4177.4-61.4-164.6140.400111.2V409 T410E362-V409 WeakPolarHBondContact CA-O 3.22Å; E362-T410 HydrophobicContact CG-CG2 4.41Å
363I87.5Confident71.8Confident24 Ų2462.5 Ų62.512%0.12338%0.384CS..EExtended strand (participates in β ladder)trans-120.8132.2-177.9-50.5174.4000109.5V361 V365 V409 I411 Q422V361-I363 HydrophobicContact CG1-CG1 4.18Å; I363-V365 HydrophobicContact CG2-CG2 4.01Å; I363-V409 HydrophobicContact CB-CB 4.46Å; I363-V409 PolarHBondContact N-O 3.44Å; I363-V409 PolarHBondContact O-N 3.02Å; I363-I411 HydrophobicContact CD1-CD1 3.6Å; I363-I411 HydrophobicContact CG1-CD1 4.43Å; I363-Q422 HydrophobicContact CD1-CB 4.01Å; I363-Q422 HydrophobicContact CD1-CG 3.72Å
364A84.2Confident74.2Confident53 Ų5358.9 Ų58.944%0.43837%0.365SS..EExtended strand (participates in β ladder)trans-87.9114.3172.900000110.4I401 N406A364-I401 HydrophobicContact CB-CD1 3.64Å; A364-N406 HydrophobicContact CB-CB 4.23Å
365V84.7Confident76.5Confident0 Ų055 Ų550%034%0.335CS..EExtended strand (participates in β ladder)trans-116.9127.3-179.3-176.20000110.8I363 L369 V370 I373 N406 R407 V409 I429I363-V365 HydrophobicContact CG2-CG2 4.01Å; V365-L369 HydrophobicContact CG1-CB 4.2Å; V365-V370 HydrophobicContact CB-CG2 4.09Å; V365-V370 HydrophobicContact CG1-CG2 3.77Å; V365-I373 HydrophobicContact CB-CD1 4.36Å; V365-I373 HydrophobicContact CG1-CD1 3.53Å; V365-I373 HydrophobicContact CG2-CD1 4.12Å; V365-N406 CarbonylContact O-C 3.58Å; V365-N406 WeakPolarHBondContact O-CA 3.44Å; V365-R407 PolarHBondContact N-O 3.39Å; V365-R407 PolarHBondContact O-N 2.89Å; V365-V409 HydrophobicContact CB-CG2 4.19Å; V365-V409 HydrophobicContact CG2-CB 4.45Å; V365-V409 HydrophobicContact CG2-CG2 3.64Å; V365-I429 HydrophobicContact CB-CD1 4.4Å; V365-I429 HydrophobicContact CG1-CD1 3.86Å; V365-I429 HydrophobicContact CG1-CG1 4.25Å; V365-I429 HydrophobicContact CG2-CD1 3.71Å
366P81.4Confident78.4Confident35 Ų3557.5 Ų57.523%0.22734%0.339CS..EExtended strand (participates in β ladder)trans-56.4137.3173.9-26.135.6000113N368 L369 V370P366-N368 WeakPolarHBondContact CB-OD1 3.22Å; P366-N368 PolarHBondContact O-N 2.61Å; P366-N368 VanDerWaalsContact O-N 3.08Å; P366-L369 HydrophobicContact CB-CD1 4.26Å; P366-L369 HydrophobicContact CB-CG 4.43Å; P366-L369 HydrophobicContact CG-CD1 4.12Å; P366-L369 PolarHBondContact O-N 3.07Å; P366-V370 WeakPolarHBondContact O-CG2 3.37Å; P366-V370 PolarHBondContact O-N 3.44Å
367E80.8Confident79.8Confident56 Ų5659 Ų5926%0.26235%0.354SS..Hα-helixtrans-52.9-36-176.7-173.6-178.7-174.400113.6L369 V370 F400 R405E367-L369 PolarHBondContact O-N 3.42Å; E367-V370 PolarHBondContact O-N 3.37Å; E367-F400 HydrophobicContact CB-CE1 4.19Å; E367-F400 HydrophobicContact CG-CE1 4.35Å; E367-F400 WeakPolarHBondContact OE2-CZ 3.4Å; E367-R405 PolarHBondContact N-O 3.36Å
368N80.8Confident81.2Confident89 Ų8955.6 Ų55.648%0.47633%0.327SS..Hα-helixtrans-67-17.9-179.961.5-52.8000114P366 R436P366-N368 WeakPolarHBondContact CB-OD1 3.22Å; P366-N368 PolarHBondContact O-N 2.61Å; P366-N368 VanDerWaalsContact O-N 3.08Å; N368-R436 PolarHBondContact O-NH1 3.33Å; N368-R436 PolarHBondContact O-NH2 3.44Å
369L81.1Confident82.3Confident2 Ų255.8 Ų55.81%0.0133%0.328CS..Hα-helixtrans-106.7-16.9-178.5-58176.1000112.7V365 P366 E367 G371 A372 I373 I429 E432 Q433V365-L369 HydrophobicContact CG1-CB 4.2Å; P366-L369 HydrophobicContact CB-CD1 4.26Å; P366-L369 HydrophobicContact CB-CG 4.43Å; P366-L369 HydrophobicContact CG-CD1 4.12Å; P366-L369 PolarHBondContact O-N 3.07Å; E367-L369 PolarHBondContact O-N 3.42Å; L369-G371 PolarHBondContact O-N 2.88Å; L369-A372 WeakPolarHBondContact O-CB 3.49Å; L369-A372 PolarHBondContact O-N 3.43Å; L369-I373 PolarHBondContact O-N 2.97Å; L369-I429 HydrophobicContact CD1-CG2 3.84Å; L369-E432 HydrophobicContact CD2-CB 4.09Å; L369-E432 HydrophobicContact CD2-CG 3.64Å; L369-Q433 HydrophobicContact CD1-CG 3.51Å; L369-Q433 HydrophobicContact CD2-CG 4.13Å; L369-Q433 HydrophobicContact CG-CG 4.5Å
370V81.3Confident82.8Confident6 Ų654.2 Ų54.24%0.03632%0.321CS..Hα-helixtrans-58.5-36176.6174.70000111.7V365 P366 E367 A372 I373 L374 I394 R407V365-V370 HydrophobicContact CB-CG2 4.09Å; V365-V370 HydrophobicContact CG1-CG2 3.77Å; P366-V370 WeakPolarHBondContact O-CG2 3.37Å; P366-V370 PolarHBondContact O-N 3.44Å; E367-V370 PolarHBondContact O-N 3.37Å; V370-A372 VanDerWaalsContact C-N 3.25Å; V370-A372 PolarHBondContact O-N 2.93Å; V370-I373 PolarHBondContact O-N 3.32Å; V370-L374 PolarHBondContact O-N 2.91Å; V370-I394 HydrophobicContact CG1-CD1 4.41Å; V370-I394 HydrophobicContact CG1-CG2 3.89Å; V370-R407 HydrophobicContact CG2-CB 4.11Å
371G81.9Confident82.9Confident52 Ų5251.8 Ų51.854%0.53631%0.305SS..Hα-helixtrans-60.7-32.8175.900000113.6L369 G375L369-G371 PolarHBondContact O-N 2.88Å; G371-G375 PolarHBondContact O-N 2.89Å
372A80.3Confident83.1Confident12 Ų1254.6 Ų54.610%0.09932%0.322CS..Hα-helixtrans-77.3-25.3179.800000113.3L369 V370 R428 E432L369-A372 WeakPolarHBondContact O-CB 3.49Å; L369-A372 PolarHBondContact O-N 3.43Å; V370-A372 VanDerWaalsContact C-N 3.25Å; V370-A372 PolarHBondContact O-N 2.93Å; A372-R428 PolarHBondContact O-NE 2.74Å; A372-R428 VanDerWaalsContact O-NE 3.16Å; A372-E432 HydrophobicContact CB-CB 4.08Å; A372-E432 HydrophobicContact CB-CG 3.7Å
373I84.8Confident83.3Confident1 Ų153 Ų531%0.00532%0.315CS..Hα-helixtrans-80.9-38.4174.6-58.9161.9000110.4V365 L369 V370 Y384 I394 I425 I429V365-I373 HydrophobicContact CB-CD1 4.36Å; V365-I373 HydrophobicContact CG1-CD1 3.53Å; V365-I373 HydrophobicContact CG2-CD1 4.12Å; L369-I373 PolarHBondContact O-N 2.97Å; V370-I373 PolarHBondContact O-N 3.32Å; I373-Y384 HydrophobicContact CG2-CD2 4.4Å; I373-Y384 HydrophobicContact CG2-CE2 4.27Å; I373-I394 HydrophobicContact CG2-CD1 4.39Å; I373-I425 HydrophobicContact CD1-CG2 3.9Å; I373-I425 HydrophobicContact CG1-CG2 4.39Å; I373-I425 HydrophobicContact CG2-CG1 4.12Å; I373-I425 HydrophobicContact CG2-CG2 4.43Å; I373-I429 HydrophobicContact CD1-CD1 3.86Å; I373-I429 HydrophobicContact CD1-CG1 3.72Å; I373-I429 HydrophobicContact CG1-CG1 4.17Å
374L84.5Confident83.4Confident68 Ų6853.1 Ų53.136%0.35631%0.314SS..Hα-helixtrans-72.6-37.4179.1-157.6117.9000111.7V370 G378 T380 L381 I394V370-L374 PolarHBondContact O-N 2.91Å; L374-G378 CarbonylContact O-C 3.55Å; L374-G378 WeakPolarHBondContact O-CA 3.2Å; L374-G378 PolarHBondContact O-N 3.12Å; L374-T380 PolarHBondContact O-N 2.89Å; L374-L381 HydrophobicContact CD1-CD1 4.42Å; L374-L381 PolarHBondContact O-N 2.95Å; L374-I394 HydrophobicContact CD1-CD1 4.27Å
375G81.7Confident83.6Confident20 Ų2053.4 Ų53.421%0.20631%0.306CS..  trans71.2175.6-176.100000113.2G371 G377 G378G371-G375 PolarHBondContact O-N 2.89Å; G375-G377 PolarHBondContact O-N 2.78Å; G375-G378 PolarHBondContact O-N 2.87Å
376K79.4Confident83.8Confident199 Ų19961.1 Ų61.187%0.86534%0.342SS*.G310 helixtrans-64.3107.4179.6-67-178.7-178.3177.40110
377G77.1Confident84Confident82 Ų8265.1 Ų65.185%0.84536%0.361SS*.G310 helixtrans74.920.2179.800000115.1G375 K379G375-G377 PolarHBondContact O-N 2.78Å; G377-K379 VanDerWaalsContact C-N 3.31Å; G377-K379 PolarHBondContact O-N 2.86Å
378G82.2Confident84.4Confident12 Ų1263.2 Ų63.212%0.12435%0.353CS..G310 helixtrans83.9-0.5177.500000115.5L374 G375 T380 L381 V382L374-G378 CarbonylContact O-C 3.55Å; L374-G378 WeakPolarHBondContact O-CA 3.2Å; L374-G378 PolarHBondContact O-N 3.12Å; G375-G378 PolarHBondContact O-N 2.87Å; G378-T380 VanDerWaalsContact C-N 3.34Å; G378-T380 PolarHBondContact O-N 2.77Å; G378-L381 PolarHBondContact O-N 3.4Å; G378-L381 VanDerWaalsContact O-N 3.17Å; G378-V382 PolarHBondContact O-N 2.77Å; G378-V382 VanDerWaalsContact O-N 3.13Å
379K84.4Confident84.6Confident161 Ų16162 Ų6270%0.736%0.362SS*.Hα-helixtrans-57.8-42.7-174.7-68.2-174.3176.4-170.70113.4G377 L381 V382 E383G377-K379 VanDerWaalsContact C-N 3.31Å; G377-K379 PolarHBondContact O-N 2.86Å; K379-L381 VanDerWaalsContact C-N 3.31Å; K379-L381 PolarHBondContact O-N 2.99Å; K379-V382 PolarHBondContact O-N 3.25Å; K379-E383 WeakPolarHBondContact O-CB 3.48Å; K379-E383 PolarHBondContact O-N 3.09Å
380T85.9Confident85.1Confident29 Ų2962 Ų6218%0.17836%0.362CS..Hα-helixtrans-67.2-34.3-179.2-55.30000111.8L374 G378 E383 Y384L374-T380 PolarHBondContact O-N 2.89Å; G378-T380 VanDerWaalsContact C-N 3.34Å; G378-T380 PolarHBondContact O-N 2.77Å; T380-E383 PolarHBondContact O-N 3.24Å; T380-Y384 HydrophobicContact CG2-CD1 4.5Å; T380-Y384 HydrophobicContact CG2-CD2 4.38Å; T380-Y384 HydrophobicContact CG2-CE1 3.88Å; T380-Y384 HydrophobicContact CG2-CE2 3.75Å; T380-Y384 VanDerWaalsContact CG2-CZ 3.46Å; T380-Y384 WeakPolarHBondContact O-CD1 3.34Å; T380-Y384 PolarHBondContact O-N 2.88Å
381L87.4Confident85.4Confident26 Ų2670.7 Ų70.714%0.13639%0.394CS..Hα-helixtrans-68.6-39.1174.3176.2136.6000111.9L374 G378 K379 Y384 Q385 I392 I394L374-L381 HydrophobicContact CD1-CD1 4.42Å; L374-L381 PolarHBondContact O-N 2.95Å; G378-L381 PolarHBondContact O-N 3.4Å; G378-L381 VanDerWaalsContact O-N 3.17Å; K379-L381 VanDerWaalsContact C-N 3.31Å; K379-L381 PolarHBondContact O-N 2.99Å; L381-Y384 PolarHBondContact O-N 3.26Å; L381-Q385 VanDerWaalsContact CD2-NE2 3.29Å; L381-Q385 WeakPolarHBondContact O-CG 3.36Å; L381-Q385 PolarHBondContact O-N 3.2Å; L381-Q385 VanDerWaalsContact O-N 3.12Å; L381-I392 HydrophobicContact CD1-CG2 4.27Å; L381-I394 HydrophobicContact CD1-CD1 3.35Å; L381-I394 HydrophobicContact CD1-CG1 3.74Å
382V89.3Confident85.8Confident83 Ų8368.6 Ų68.650%0.50337%0.371SS..Hα-helixtrans-63.6-45.3174.9176.10000110.5G378 K379 Y384 Q385 E386G378-V382 PolarHBondContact O-N 2.77Å; G378-V382 VanDerWaalsContact O-N 3.13Å; K379-V382 PolarHBondContact O-N 3.25Å; V382-Y384 VanDerWaalsContact C-N 3.31Å; V382-Y384 PolarHBondContact O-N 3.23Å; V382-Q385 WeakPolarHBondContact O-CB 3.44Å; V382-Q385 PolarHBondContact O-N 2.92Å; V382-Q385 VanDerWaalsContact O-N 3.08Å; V382-E386 PolarHBondContact O-N 3.47Å
383E88.4Confident86Confident103 Ų10374.3 Ų74.348%0.48140%0.395SS..Hα-helixtrans-57.9-42.1175.6-177.6178.2-16500111.9K379 T380 Q385 E386 L387K379-E383 WeakPolarHBondContact O-CB 3.48Å; K379-E383 PolarHBondContact O-N 3.09Å; T380-E383 PolarHBondContact O-N 3.24Å; E383-Q385 VanDerWaalsContact C-N 3.32Å; E383-Q385 PolarHBondContact O-N 2.83Å; E383-E386 PolarHBondContact O-N 2.85Å; E383-L387 HydrophobicContact CG-CD1 3.84Å; E383-L387 HydrophobicContact CG-CG 4.32Å; E383-L387 WeakPolarHBondContact O-CB 3.39Å; E383-L387 VanDerWaalsContact O-CG 3.27Å; E383-L387 WeakPolarHBondContact O-CG 3.44Å; E383-L387 PolarHBondContact O-N 3.39Å
384Y90.2Very high86.1Confident26 Ų2675.7 Ų75.710%0.10240%0.402CS..Hα-helixtrans-65.6-33.4175.7-66.8-12.5000113.1I373 T380 L381 V382 T388 L424 I425 R428I373-Y384 HydrophobicContact CG2-CD2 4.4Å; I373-Y384 HydrophobicContact CG2-CE2 4.27Å; T380-Y384 HydrophobicContact CG2-CD1 4.5Å; T380-Y384 HydrophobicContact CG2-CD2 4.38Å; T380-Y384 HydrophobicContact CG2-CE1 3.88Å; T380-Y384 HydrophobicContact CG2-CE2 3.75Å; T380-Y384 VanDerWaalsContact CG2-CZ 3.46Å; T380-Y384 WeakPolarHBondContact O-CD1 3.34Å; T380-Y384 PolarHBondContact O-N 2.88Å; L381-Y384 PolarHBondContact O-N 3.26Å; V382-Y384 VanDerWaalsContact C-N 3.31Å; V382-Y384 PolarHBondContact O-N 3.23Å; Y384-T388 WeakPolarHBondContact O-CB 3.33Å; Y384-T388 VanDerWaalsContact O-CG2 3.23Å; Y384-T388 WeakPolarHBondContact O-CG2 3.48Å; Y384-T388 PolarHBondContact O-N 3.12Å; Y384-T388 PolarHBondContact O-OG1 2.93Å; Y384-L424 HydrophobicContact CD1-CB 4.34Å; Y384-L424 HydrophobicContact CD1-CD1 4.06Å; Y384-L424 HydrophobicContact CE1-CB 4.38Å; Y384-I425 HydrophobicContact CD2-CG1 4.17Å; Y384-R428 WeakPolarHBondContact OH-CG 3.24Å
385Q87.9Confident85.8Confident60 Ų6073 Ų7328%0.2839%0.39SS..Hα-helixtrans-71.1-38.7174-67178.91900111.7L381 V382 E383 G389 A390 I392L381-Q385 VanDerWaalsContact CD2-NE2 3.29Å; L381-Q385 WeakPolarHBondContact O-CG 3.36Å; L381-Q385 PolarHBondContact O-N 3.2Å; L381-Q385 VanDerWaalsContact O-N 3.12Å; V382-Q385 WeakPolarHBondContact O-CB 3.44Å; V382-Q385 PolarHBondContact O-N 2.92Å; V382-Q385 VanDerWaalsContact O-N 3.08Å; E383-Q385 VanDerWaalsContact C-N 3.32Å; E383-Q385 PolarHBondContact O-N 2.83Å; Q385-G389 WeakPolarHBondContact O-CA 3.23Å; Q385-G389 PolarHBondContact O-N 2.89Å; Q385-A390 WeakPolarHBondContact CA-O 3.27Å; Q385-A390 WeakPolarHBondContact CG-O 3.4Å; Q385-I392 HydrophobicContact CG-CB 3.95Å; Q385-I392 HydrophobicContact CG-CD1 3.9Å; Q385-I392 HydrophobicContact CG-CG1 3.99Å; Q385-I392 PolarHBondContact NE2-O 2.87Å
386E88.3Confident85.6Confident162 Ų16280 Ų8076%0.75741%0.414SS*.Hα-helixtrans-70.3-43.3-179.8-170.1172.3-17500112.2V382 E383 T388V382-E386 PolarHBondContact O-N 3.47Å; E383-E386 PolarHBondContact O-N 2.85Å; E386-T388 VanDerWaalsContact C-N 3.35Å; E386-T388 PolarHBondContact O-N 3.17Å
387L87.1Confident84.9Confident118 Ų11878.5 Ų78.562%0.61841%0.408SS*.Hα-helixtrans-68.3-32.9179.5-72.2173.1000113.2E383 L424E383-L387 HydrophobicContact CG-CD1 3.84Å; E383-L387 HydrophobicContact CG-CG 4.32Å; E383-L387 WeakPolarHBondContact O-CB 3.39Å; E383-L387 VanDerWaalsContact O-CG 3.27Å; E383-L387 WeakPolarHBondContact O-CG 3.44Å; E383-L387 PolarHBondContact O-N 3.39Å; L387-L424 HydrophobicContact CB-CD1 4.48Å; L387-L424 HydrophobicContact CD1-CD1 4.49Å
388T89.4Confident84.1Confident17 Ų1777 Ų7710%0.10439%0.392CS..Hα-helixtrans-102.5-19.7-172.165.20000112.8Y384 E386 A390 A417 A420 A421 L424Y384-T388 WeakPolarHBondContact O-CB 3.33Å; Y384-T388 VanDerWaalsContact O-CG2 3.23Å; Y384-T388 WeakPolarHBondContact O-CG2 3.48Å; Y384-T388 PolarHBondContact O-N 3.12Å; Y384-T388 PolarHBondContact O-OG1 2.93Å; E386-T388 VanDerWaalsContact C-N 3.35Å; E386-T388 PolarHBondContact O-N 3.17Å; T388-A390 PolarHBondContact O-N 3.15Å; T388-A390 PolarHBondContact OG1-N 2.92Å; T388-A417 WeakPolarHBondContact O-CA 3.23Å; T388-A417 WeakPolarHBondContact O-CB 3.44Å; T388-A420 HydrophobicContact CG2-CB 3.88Å; T388-A421 HydrophobicContact CG2-CB 4Å; T388-L424 HydrophobicContact CG2-CD1 3.56Å
389G84.1Confident83.4Confident63 Ų6380.6 Ų80.665%0.64941%0.406SS*.  trans66.88.5-170.100000113.6Q385Q385-G389 WeakPolarHBondContact O-CA 3.23Å; Q385-G389 PolarHBondContact O-N 2.89Å
390A90.7Very high82.6Confident3 Ų376.5 Ų76.53%0.02539%0.388CS..  trans-92.2146.3176.300000111.2Q385 T388 I411 A417 A421Q385-A390 WeakPolarHBondContact CA-O 3.27Å; Q385-A390 WeakPolarHBondContact CG-O 3.4Å; T388-A390 PolarHBondContact O-N 3.15Å; T388-A390 PolarHBondContact OG1-N 2.92Å; A390-I411 HydrophobicContact CB-CG2 3.74Å; A390-A417 HydrophobicContact CB-CB 3.93Å; A390-A421 HydrophobicContact CB-CB 3.86Å
391R88.3Confident81.8Confident187 Ų18777.9 Ų77.971%0.70639%0.394SS*.EExtended strand (participates in β ladder)trans-85.9118172.2-171.4159.9-169.4156.43.1109.9I411 T412R391-I411 CarbonylContact O-C 3.57Å; R391-I411 WeakPolarHBondContact O-CA 3.34Å; R391-T412 WeakPolarHBondContact CB-O 3.37Å; R391-T412 PolarHBondContact N-O 3.48Å; R391-T412 PolarHBondContact O-N 3.43Å
392I90.3Very high80.5Confident8 Ų882.7 Ų82.74%0.04143%0.427CS..EExtended strand (participates in β ladder)trans-111.1119.9-176.8-56.5163.5000109.4L381 Q385 V409 I411 A421 I425L381-I392 HydrophobicContact CD1-CG2 4.27Å; Q385-I392 HydrophobicContact CG-CB 3.95Å; Q385-I392 HydrophobicContact CG-CD1 3.9Å; Q385-I392 HydrophobicContact CG-CG1 3.99Å; Q385-I392 PolarHBondContact NE2-O 2.87Å; I392-V409 HydrophobicContact CG2-CG1 3.82Å; I392-I411 HydrophobicContact CG1-CG1 4.39Å; I392-I411 HydrophobicContact CG1-CG2 4.22Å; I392-A421 HydrophobicContact CD1-CB 4Å; I392-A421 HydrophobicContact CG1-CB 4.26Å; I392-I425 HydrophobicContact CD1-CD1 4.21Å; I392-I425 HydrophobicContact CG2-CD1 4.06Å
393Q84.9Confident79.3Confident133 Ų13383 Ų8362%0.62145%0.446SS*.EExtended strand (participates in β ladder)trans-119.1125.1179.2-168.6168.90.900110.5V409 T410Q393-V409 CarbonylContact O-C 3.57Å; Q393-V409 WeakPolarHBondContact O-CA 3.49Å; Q393-T410 PolarHBondContact N-O 3.31Å; Q393-T410 PolarHBondContact O-N 3.09Å
394I86.8Confident78.6Confident29 Ų2981 Ų8115%0.14944%0.442CS..EExtended strand (participates in β ladder)trans-106.1131177.6-56.1-175.3000108.4V370 I373 L374 L381 V409V370-I394 HydrophobicContact CG1-CD1 4.41Å; V370-I394 HydrophobicContact CG1-CG2 3.89Å; I373-I394 HydrophobicContact CG2-CD1 4.39Å; L374-I394 HydrophobicContact CD1-CD1 4.27Å; L381-I394 HydrophobicContact CD1-CD1 3.35Å; L381-I394 HydrophobicContact CD1-CG1 3.74Å; I394-V409 HydrophobicContact CD1-CG2 4.49Å; I394-V409 HydrophobicContact CG1-CG1 4.11Å; I394-V409 HydrophobicContact CG1-CG2 4.08Å; I394-V409 HydrophobicContact CG2-CG2 4.37Å
395S78.1Confident77.8Confident13 Ų1388.8 Ų88.89%0.09147%0.471CS..  trans-60.1152.8176.7-63.90000112.1R407 K408S395-R407 PolarHBondContact O-NE 3.1Å; S395-R407 PolarHBondContact O-NH2 3.36Å; S395-K408 PolarHBondContact N-O 2.58Å; S395-K408 VanDerWaalsContact N-O 3.09Å; S395-K408 WeakPolarHBondContact OG-CD 3.39Å; S395-K408 WeakPolarHBondContact OG-CE 3.41Å; S395-K408 WeakPolarHBondContact OG-CG 3.48Å; S395-K408 PolarHBondContact OG-O 3.08Å; S395-K408 VanDerWaalsContact OG-O 3.07Å
396K77.4Confident77.5Confident167 Ų16788.1 Ų88.173%0.72647%0.469SS*.  trans-65.6162.3-175.2-69.6-178.7-178.4175.90113G398 E399 R407K396-G398 PolarHBondContact O-N 3.46Å; K396-E399 PolarHBondContact O-N 3.08Å; K396-E399 VanDerWaalsContact O-N 3.09Å; K396-R407 VanDerWaalsContact C-CZ 3.43Å; K396-R407 PolarHBondContact O-NE 2.92Å
397K64.2Low77.1Confident166 Ų16682.1 Ų82.172%0.72244%0.439SS*.THydrogen-bonded Turntrans-66.5115.8177.9-170.9-180-179.1-177.80107.6R407K397-R407 VanDerWaalsContact CA-CZ 3.47Å
398G61.7Low77Confident51 Ų5179.9 Ų79.953%0.52643%0.425SS..THydrogen-bonded Turntrans107.9-12.8-174.100000115.2K396 F400K396-G398 PolarHBondContact O-N 3.46Å; G398-F400 VanDerWaalsContact CA-CE2 3.49Å; G398-F400 WeakPolarHBondContact O-CD2 3.32Å; G398-F400 PolarHBondContact O-N 2.95Å
399E66Low76.9Confident87 Ų8779.1 Ų79.141%0.40742%0.42SS..  trans-94.894.7175.4-166.7-176165.100109.4K396 K408K396-E399 PolarHBondContact O-N 3.08Å; K396-E399 VanDerWaalsContact O-N 3.09Å; E399-K408 VanDerWaalsContact OE1-CE 3.28Å; E399-K408 WeakPolarHBondContact OE1-CE 3.3Å; E399-K408 IonicContact OE1-NZ 2.77Å; E399-K408 PolarHBondContact OE1-NZ 2.91Å
400F67.6Low77.1Confident76 Ų7677.3 Ų77.333%0.33340%0.396SS..  trans-106155.7-177.2-55.5-75.4000111.2E367 G398 T404 N406 R407E367-F400 HydrophobicContact CB-CE1 4.19Å; E367-F400 HydrophobicContact CG-CE1 4.35Å; E367-F400 WeakPolarHBondContact OE2-CZ 3.4Å; G398-F400 VanDerWaalsContact CA-CE2 3.49Å; G398-F400 WeakPolarHBondContact O-CD2 3.32Å; G398-F400 PolarHBondContact O-N 2.95Å; F400-T404 WeakPolarHBondContact CB-O 3.46Å; F400-N406 WeakPolarHBondContact CA-O 3.42Å; F400-R407 HydrophobicContact CD1-CG 4.08Å; F400-R407 HydrophobicContact CE1-CG 4.09Å
401I70.1Confident77.2Confident58 Ų5877.2 Ų77.230%0.29740%0.395SS..  trans-65.9128.7169.4-57.9169000107.6A364 G403 T404 N406 K408A364-I401 HydrophobicContact CB-CD1 3.64Å; I401-G403 PolarHBondContact O-N 2.8Å; I401-T404 PolarHBondContact O-N 3.3Å; I401-T404 PolarHBondContact O-OG1 3.39Å; I401-T404 VanDerWaalsContact O-OG1 3.13Å; I401-N406 HydrophobicContact CD1-CB 4.49Å; I401-N406 PolarHBondContact N-O 2.98Å; I401-N406 VanDerWaalsContact N-O 3.13Å; I401-K408 HydrophobicContact CD1-CB 4.34Å; I401-K408 HydrophobicContact CG1-CB 4.26Å
402P60.9Low77.2Confident127 Ų12770.5 Ų70.583%0.82538%0.375SS*.THydrogen-bonded Turntrans-54.9123.5-174.820.4-31.9000111.1
403G63.8Low77.2Confident88 Ų8870.7 Ų70.791%0.90738%0.38SS*.THydrogen-bonded Turntrans92.9-1.6-177.200000115.8I401I401-G403 PolarHBondContact O-N 2.8Å
404T72.4Confident77.3Confident63 Ų6367.5 Ų67.539%0.38737%0.372SS..SBendtrans-135.6163.6179.172.10000112.2F400 I401 N406F400-T404 WeakPolarHBondContact CB-O 3.46Å; I401-T404 PolarHBondContact O-N 3.3Å; I401-T404 PolarHBondContact O-OG1 3.39Å; I401-T404 VanDerWaalsContact O-OG1 3.13Å; T404-N406 VanDerWaalsContact C-N 3.28Å; T404-N406 PolarHBondContact OG1-N 3.48Å
405R74.4Confident77Confident189 Ų18969.5 Ų69.571%0.71339%0.386SS*.SBendtrans-94.823.9170.9-61.4-17567.6170.21.1112.3E367E367-R405 PolarHBondContact N-O 3.36Å
406N80.9Confident77.2Confident46 Ų4672.3 Ų72.325%0.24641%0.411CS..EExtended strand (participates in β ladder)trans-96.6134.9-177.1-62.2-5000109.6A364 V365 F400 I401 T404A364-N406 HydrophobicContact CB-CB 4.23Å; V365-N406 CarbonylContact O-C 3.58Å; V365-N406 WeakPolarHBondContact O-CA 3.44Å; F400-N406 WeakPolarHBondContact CA-O 3.42Å; I401-N406 HydrophobicContact CD1-CB 4.49Å; I401-N406 PolarHBondContact N-O 2.98Å; I401-N406 VanDerWaalsContact N-O 3.13Å; T404-N406 VanDerWaalsContact C-N 3.28Å; T404-N406 PolarHBondContact OG1-N 3.48Å
407R80.8Confident77.6Confident35 Ų3564.7 Ų64.713%0.13238%0.379CS..EExtended strand (participates in β ladder)trans-88.1138.7169.9-73.6172.978.5170.7-4.5108.8V365 V370 S395 K396 K397 F400V365-R407 PolarHBondContact N-O 3.39Å; V365-R407 PolarHBondContact O-N 2.89Å; V370-R407 HydrophobicContact CG2-CB 4.11Å; S395-R407 PolarHBondContact O-NE 3.1Å; S395-R407 PolarHBondContact O-NH2 3.36Å; K396-R407 VanDerWaalsContact C-CZ 3.43Å; K396-R407 PolarHBondContact O-NE 2.92Å; K397-R407 VanDerWaalsContact CA-CZ 3.47Å; F400-R407 HydrophobicContact CD1-CG 4.08Å; F400-R407 HydrophobicContact CE1-CG 4.09Å
408K83.6Confident78.7Confident72 Ų7256.8 Ų56.831%0.31334%0.344SS..EExtended strand (participates in β ladder)trans-80.1131.6173.166-174.1172.6-173.10109.9S395 E399 I401S395-K408 PolarHBondContact N-O 2.58Å; S395-K408 VanDerWaalsContact N-O 3.09Å; S395-K408 WeakPolarHBondContact OG-CD 3.39Å; S395-K408 WeakPolarHBondContact OG-CE 3.41Å; S395-K408 WeakPolarHBondContact OG-CG 3.48Å; S395-K408 PolarHBondContact OG-O 3.08Å; S395-K408 VanDerWaalsContact OG-O 3.07Å; E399-K408 VanDerWaalsContact OE1-CE 3.28Å; E399-K408 WeakPolarHBondContact OE1-CE 3.3Å; E399-K408 IonicContact OE1-NZ 2.77Å; E399-K408 PolarHBondContact OE1-NZ 2.91Å; I401-K408 HydrophobicContact CD1-CB 4.34Å; I401-K408 HydrophobicContact CG1-CB 4.26Å
409V88.8Confident79.9Confident0 Ų060.4 Ų60.40%035%0.348CS..EExtended strand (participates in β ladder)trans-110.9116.9171.8-178.80000107E362 I363 V365 I392 Q393 I394 I411 I425E362-V409 WeakPolarHBondContact CA-O 3.22Å; I363-V409 HydrophobicContact CB-CB 4.46Å; I363-V409 PolarHBondContact N-O 3.44Å; I363-V409 PolarHBondContact O-N 3.02Å; V365-V409 HydrophobicContact CB-CG2 4.19Å; V365-V409 HydrophobicContact CG2-CB 4.45Å; V365-V409 HydrophobicContact CG2-CG2 3.64Å; I392-V409 HydrophobicContact CG2-CG1 3.82Å; Q393-V409 CarbonylContact O-C 3.57Å; Q393-V409 WeakPolarHBondContact O-CA 3.49Å; I394-V409 HydrophobicContact CD1-CG2 4.49Å; I394-V409 HydrophobicContact CG1-CG1 4.11Å; I394-V409 HydrophobicContact CG1-CG2 4.08Å; I394-V409 HydrophobicContact CG2-CG2 4.37Å; V409-I411 HydrophobicContact CG1-CG1 4.35Å; V409-I425 HydrophobicContact CG1-CD1 4.21Å
410T88.3Confident80.8Confident26 Ų2658.2 Ų58.216%0.1635%0.345CS..EExtended strand (participates in β ladder)trans-102.7123.3-179.9-53.10000108.5V360 E362 Q393V360-T410 HydrophobicContact CG1-CG2 3.82Å; E362-T410 HydrophobicContact CG-CG2 4.41Å; Q393-T410 PolarHBondContact N-O 3.31Å; Q393-T410 PolarHBondContact O-N 3.09Å
411I92.2Very high81.8Confident0 Ų054.6 Ų54.60%033%0.329CS..EExtended strand (participates in β ladder)trans-112.8130.1178.9-51.5174.8000107.3V360 V361 I363 A390 R391 I392 V409 T418 A421 Q422 I425V360-I411 CarbonylContact C-O 3.54Å; V360-I411 VanDerWaalsContact CA-O 3.32Å; V360-I411 WeakPolarHBondContact CA-O 3.38Å; V361-I411 HydrophobicContact CB-CB 4.39Å; V361-I411 PolarHBondContact N-O 3.3Å; V361-I411 PolarHBondContact O-N 3.01Å; I363-I411 HydrophobicContact CD1-CD1 3.6Å; I363-I411 HydrophobicContact CG1-CD1 4.43Å; A390-I411 HydrophobicContact CB-CG2 3.74Å; R391-I411 CarbonylContact O-C 3.57Å; R391-I411 WeakPolarHBondContact O-CA 3.34Å; I392-I411 HydrophobicContact CG1-CG1 4.39Å; I392-I411 HydrophobicContact CG1-CG2 4.22Å; V409-I411 HydrophobicContact CG1-CG1 4.35Å; I411-T418 HydrophobicContact CG2-CG2 4.11Å; I411-A421 HydrophobicContact CD1-CB 4.1Å; I411-A421 HydrophobicContact CG2-CB 3.72Å; I411-Q422 HydrophobicContact CD1-CB 4.23Å; I411-I425 HydrophobicContact CD1-CD1 3.72Å; I411-I425 HydrophobicContact CG1-CD1 4.31Å
412T88.3Confident82.8Confident46 Ų4655.5 Ų55.528%0.28233%0.332SS..EExtended strand (participates in β ladder)trans-132.5125.9-178.1-52.30000109.9K358 D359 V360 R391K358-T412 HydrophobicContact CB-CG2 4.26Å; D359-T412 WeakPolarHBondContact O-CA 3.38Å; V360-T412 HydrophobicContact CG2-CG2 4Å; R391-T412 WeakPolarHBondContact CB-O 3.37Å; R391-T412 PolarHBondContact N-O 3.48Å; R391-T412 PolarHBondContact O-N 3.43Å
413G89.1Confident84.1Confident13 Ų1356.2 Ų56.213%0.13432%0.319CS..EExtended strand (participates in β ladder)trans179.5-163.3-177.200000112.8K358 D359K358-G413 CarbonylContact C-O 3.54Å; K358-G413 WeakPolarHBondContact CA-O 3.42Å; D359-G413 PolarHBondContact N-O 3.38Å; D359-G413 PolarHBondContact O-N 2.98Å; D359-G413 VanDerWaalsContact O-N 3.12Å
414S87.3Confident85.2Confident66 Ų6654.1 Ų54.146%0.46229%0.287SS..  trans-69.7155.916665.50000110A416 A417 T418S414-A416 PolarHBondContact O-N 2.63Å; S414-A416 VanDerWaalsContact O-N 3.15Å; S414-A417 WeakPolarHBondContact O-CA 3.06Å; S414-A417 WeakPolarHBondContact O-CB 3.39Å; S414-A417 PolarHBondContact O-N 3.36Å; S414-A417 VanDerWaalsContact OG-CB 3.23Å; S414-A417 WeakPolarHBondContact OG-CB 3.32Å; S414-A417 PolarHBondContact OG-N 3.15Å; S414-T418 PolarHBondContact O-N 3.39Å; S414-T418 PolarHBondContact O-OG1 3.32Å
415P81.9Confident86.1Confident70 Ų7051.1 Ų51.146%0.45527%0.268SS..Hα-helixtrans-54.9-34.7179.5-27.234.2000114D359 T418 Q419D359-P415 HydrophobicContact CB-CG 4.26Å; P415-T418 WeakPolarHBondContact CA-OG1 3.46Å; P415-T418 PolarHBondContact O-OG1 2.67Å; P415-T418 VanDerWaalsContact O-OG1 3.09Å; P415-Q419 WeakPolarHBondContact O-CB 3.41Å; P415-Q419 WeakPolarHBondContact O-CG 3.46Å; P415-Q419 PolarHBondContact O-N 2.93Å
416A81.2Confident86.6Confident73 Ų7344.3 Ų44.360%0.60325%0.249SC*.Hα-helixtrans-70.3-38.717500000112.1S414 A420S414-A416 PolarHBondContact O-N 2.63Å; S414-A416 VanDerWaalsContact O-N 3.15Å; A416-A420 WeakPolarHBondContact O-CB 3.44Å; A416-A420 PolarHBondContact O-N 3Å; A416-A420 VanDerWaalsContact O-N 3.12Å
417A85.3Confident86.9Confident6 Ų647 Ų475%0.0526%0.261CS..Hα-helixtrans-70.5-43.5179.100000112T388 A390 S414 A420 A421T388-A417 WeakPolarHBondContact O-CA 3.23Å; T388-A417 WeakPolarHBondContact O-CB 3.44Å; A390-A417 HydrophobicContact CB-CB 3.93Å; S414-A417 WeakPolarHBondContact O-CA 3.06Å; S414-A417 WeakPolarHBondContact O-CB 3.39Å; S414-A417 PolarHBondContact O-N 3.36Å; S414-A417 VanDerWaalsContact OG-CB 3.23Å; S414-A417 WeakPolarHBondContact OG-CB 3.32Å; S414-A417 PolarHBondContact OG-N 3.15Å; A417-A420 PolarHBondContact O-N 3.42Å; A417-A421 WeakPolarHBondContact O-CB 3.32Å; A417-A421 PolarHBondContact O-N 3.34Å
418T88.6Confident87Confident0 Ų049.3 Ų49.30%027%0.27CS..Hα-helixtrans-63.4-43.5178.651.30000111.5D359 V361 I411 S414 P415 A421 Q422D359-T418 HydrophobicContact CB-CG2 4.01Å; D359-T418 VanDerWaalsContact O-CG2 3.3Å; D359-T418 WeakPolarHBondContact O-CG2 3.29Å; D359-T418 PolarHBondContact OD2-OG1 3.42Å; V361-T418 HydrophobicContact CG2-CG2 4.37Å; I411-T418 HydrophobicContact CG2-CG2 4.11Å; S414-T418 PolarHBondContact O-N 3.39Å; S414-T418 PolarHBondContact O-OG1 3.32Å; P415-T418 WeakPolarHBondContact CA-OG1 3.46Å; P415-T418 PolarHBondContact O-OG1 2.67Å; P415-T418 VanDerWaalsContact O-OG1 3.09Å; T418-A421 PolarHBondContact O-N 2.87Å; T418-Q422 WeakPolarHBondContact O-CB 3.29Å; T418-Q422 PolarHBondContact O-N 3.29Å
419Q85.9Confident87.1Confident127 Ų12746.9 Ų46.959%0.59326%0.259SS*.Hα-helixtrans-62.8-45.3175.6-74.3179.312.700112.2P415 A421 Q422 Y423P415-Q419 WeakPolarHBondContact O-CB 3.41Å; P415-Q419 WeakPolarHBondContact O-CG 3.46Å; P415-Q419 PolarHBondContact O-N 2.93Å; Q419-A421 VanDerWaalsContact C-N 3.34Å; Q419-A421 PolarHBondContact O-N 3.07Å; Q419-Q422 PolarHBondContact O-N 3.48Å; Q419-Y423 WeakPolarHBondContact O-CB 3.24Å; Q419-Y423 PolarHBondContact O-N 3.42Å
420A85.5Confident86.9Confident42 Ų4251.4 Ų51.435%0.34729%0.287SS..Hα-helixtrans-61.4-43177.700000111.8T388 A416 A417 Y423 L424T388-A420 HydrophobicContact CG2-CB 3.88Å; A416-A420 WeakPolarHBondContact O-CB 3.44Å; A416-A420 PolarHBondContact O-N 3Å; A416-A420 VanDerWaalsContact O-N 3.12Å; A417-A420 PolarHBondContact O-N 3.42Å; A420-Y423 PolarHBondContact O-N 3.43Å; A420-L424 WeakPolarHBondContact O-CG 3.35Å; A420-L424 PolarHBondContact O-N 2.95Å; A420-L424 VanDerWaalsContact O-N 3.07Å
421A89.3Confident86.6Confident0 Ų057.2 Ų57.20%031%0.307CS..Hα-helixtrans-65.6-42.617600000112.9T388 A390 I392 I411 A417 T418 Q419 Y423 L424 I425T388-A421 HydrophobicContact CG2-CB 4Å; A390-A421 HydrophobicContact CB-CB 3.86Å; I392-A421 HydrophobicContact CD1-CB 4Å; I392-A421 HydrophobicContact CG1-CB 4.26Å; I411-A421 HydrophobicContact CD1-CB 4.1Å; I411-A421 HydrophobicContact CG2-CB 3.72Å; A417-A421 WeakPolarHBondContact O-CB 3.32Å; A417-A421 PolarHBondContact O-N 3.34Å; T418-A421 PolarHBondContact O-N 2.87Å; Q419-A421 VanDerWaalsContact C-N 3.34Å; Q419-A421 PolarHBondContact O-N 3.07Å; A421-Y423 VanDerWaalsContact C-N 3.3Å; A421-Y423 PolarHBondContact O-N 3.01Å; A421-L424 PolarHBondContact O-N 3.48Å; A421-I425 WeakPolarHBondContact O-CB 3.33Å; A421-I425 WeakPolarHBondContact O-CD1 3.38Å; A421-I425 VanDerWaalsContact O-CG1 3.26Å; A421-I425 WeakPolarHBondContact O-CG1 3.37Å; A421-I425 PolarHBondContact O-N 2.98Å
422Q89.6Confident86Confident77 Ų7759 Ų5936%0.3632%0.316SS..Hα-helixtrans-59.8-42175175.3173.520.700111.5I363 I411 T418 Q419 S426I363-Q422 HydrophobicContact CD1-CB 4.01Å; I363-Q422 HydrophobicContact CD1-CG 3.72Å; I411-Q422 HydrophobicContact CD1-CB 4.23Å; T418-Q422 WeakPolarHBondContact O-CB 3.29Å; T418-Q422 PolarHBondContact O-N 3.29Å; Q419-Q422 PolarHBondContact O-N 3.48Å; Q422-S426 VanDerWaalsContact O-CB 3.29Å; Q422-S426 WeakPolarHBondContact O-CB 3.15Å; Q422-S426 PolarHBondContact O-N 3.03Å; Q422-S426 PolarHBondContact O-OG 3.19Å
423Y88.6Confident85.5Confident141 Ų14161.2 Ų61.255%0.55332%0.323SS*.Hα-helixtrans-63.8-49.9178.4-179.1-98.1000112Q419 A420 A421 I425 S426 Q427Q419-Y423 WeakPolarHBondContact O-CB 3.24Å; Q419-Y423 PolarHBondContact O-N 3.42Å; A420-Y423 PolarHBondContact O-N 3.43Å; A421-Y423 VanDerWaalsContact C-N 3.3Å; A421-Y423 PolarHBondContact O-N 3.01Å; Y423-I425 VanDerWaalsContact C-N 3.34Å; Y423-I425 PolarHBondContact O-N 3Å; Y423-S426 PolarHBondContact O-N 3.46Å; Y423-Q427 WeakPolarHBondContact O-CB 3.07Å; Y423-Q427 PolarHBondContact O-N 3.19Å; Y423-Q427 PolarHBondContact OH-OE1 3.44Å
424L87.9Confident84.8Confident45 Ų4562.3 Ų62.324%0.23633%0.334CS..Hα-helixtrans-60.3-42.9178.9-69.9178000112.2Y384 L387 T388 A420 A421 R428Y384-L424 HydrophobicContact CD1-CB 4.34Å; Y384-L424 HydrophobicContact CD1-CD1 4.06Å; Y384-L424 HydrophobicContact CE1-CB 4.38Å; L387-L424 HydrophobicContact CB-CD1 4.48Å; L387-L424 HydrophobicContact CD1-CD1 4.49Å; T388-L424 HydrophobicContact CG2-CD1 3.56Å; A420-L424 WeakPolarHBondContact O-CG 3.35Å; A420-L424 PolarHBondContact O-N 2.95Å; A420-L424 VanDerWaalsContact O-N 3.07Å; A421-L424 PolarHBondContact O-N 3.48Å; L424-R428 WeakPolarHBondContact O-CB 3.46Å; L424-R428 PolarHBondContact O-N 2.87Å
425I89.8Confident84.2Confident0 Ų062.1 Ų62.10%033%0.33CS..Hα-helixtrans-63.8-46.5177.3-70.4165.6000110.6I373 Y384 I392 V409 I411 A421 Y423 R428 I429I373-I425 HydrophobicContact CD1-CG2 3.9Å; I373-I425 HydrophobicContact CG1-CG2 4.39Å; I373-I425 HydrophobicContact CG2-CG1 4.12Å; I373-I425 HydrophobicContact CG2-CG2 4.43Å; Y384-I425 HydrophobicContact CD2-CG1 4.17Å; I392-I425 HydrophobicContact CD1-CD1 4.21Å; I392-I425 HydrophobicContact CG2-CD1 4.06Å; V409-I425 HydrophobicContact CG1-CD1 4.21Å; I411-I425 HydrophobicContact CD1-CD1 3.72Å; I411-I425 HydrophobicContact CG1-CD1 4.31Å; A421-I425 WeakPolarHBondContact O-CB 3.33Å; A421-I425 WeakPolarHBondContact O-CD1 3.38Å; A421-I425 VanDerWaalsContact O-CG1 3.26Å; A421-I425 WeakPolarHBondContact O-CG1 3.37Å; A421-I425 PolarHBondContact O-N 2.98Å; Y423-I425 VanDerWaalsContact C-N 3.34Å; Y423-I425 PolarHBondContact O-N 3Å; I425-R428 PolarHBondContact O-N 3.32Å; I425-I429 HydrophobicContact CG2-CD1 3.77Å; I425-I429 WeakPolarHBondContact O-CD1 3.49Å; I425-I429 VanDerWaalsContact O-CG1 3.22Å; I425-I429 WeakPolarHBondContact O-CG1 3.45Å; I425-I429 PolarHBondContact O-N 3.35Å
426S85.8Confident83.4Confident45 Ų4563.7 Ų63.732%0.31533%0.327SS..Hα-helixtrans-65.2-42.3-179.6-580000112Q422 Y423 R428 I429 T430Q422-S426 VanDerWaalsContact O-CB 3.29Å; Q422-S426 WeakPolarHBondContact O-CB 3.15Å; Q422-S426 PolarHBondContact O-N 3.03Å; Q422-S426 PolarHBondContact O-OG 3.19Å; Y423-S426 PolarHBondContact O-N 3.46Å; S426-R428 VanDerWaalsContact C-N 3.32Å; S426-R428 PolarHBondContact O-N 3.27Å; S426-I429 WeakPolarHBondContact O-CB 3.39Å; S426-I429 PolarHBondContact O-N 3.15Å; S426-T430 PolarHBondContact O-N 3.07Å; S426-T430 PolarHBondContact O-OG1 3.4Å; S426-T430 VanDerWaalsContact O-OG1 3.07Å
427Q86.5Confident82.5Confident103 Ų10364.2 Ų64.248%0.48133%0.332SS..Hα-helixtrans-61.3-41.6175.9-173.4177.5-25.300111.3Y423 T430 Y431Y423-Q427 WeakPolarHBondContact O-CB 3.07Å; Y423-Q427 PolarHBondContact O-N 3.19Å; Y423-Q427 PolarHBondContact OH-OE1 3.44Å; Q427-T430 PolarHBondContact O-N 3.15Å; Q427-Y431 WeakPolarHBondContact O-CB 3.42Å; Q427-Y431 PolarHBondContact O-N 3.27Å
428R84.4Confident81.3Confident84 Ų8469.4 Ų69.432%0.31736%0.363SS..Hα-helixtrans-65.4-40.3177.5-172.160.5175.81714.8112.4A372 Y384 L424 I425 S426 E432A372-R428 PolarHBondContact O-NE 2.74Å; A372-R428 VanDerWaalsContact O-NE 3.16Å; Y384-R428 WeakPolarHBondContact OH-CG 3.24Å; L424-R428 WeakPolarHBondContact O-CB 3.46Å; L424-R428 PolarHBondContact O-N 2.87Å; I425-R428 PolarHBondContact O-N 3.32Å; S426-R428 VanDerWaalsContact C-N 3.32Å; S426-R428 PolarHBondContact O-N 3.27Å; R428-E432 WeakPolarHBondContact O-CB 3.43Å; R428-E432 PolarHBondContact O-N 3.25Å
429I85.8Confident79.7Confident20 Ų2074 Ų7410%0.10339%0.387CS..Hα-helixtrans-60.9-50.9175.2-71.6166.5000110.3V365 L369 I373 I425 S426 Y431 E432 Q433V365-I429 HydrophobicContact CB-CD1 4.4Å; V365-I429 HydrophobicContact CG1-CD1 3.86Å; V365-I429 HydrophobicContact CG1-CG1 4.25Å; V365-I429 HydrophobicContact CG2-CD1 3.71Å; L369-I429 HydrophobicContact CD1-CG2 3.84Å; I373-I429 HydrophobicContact CD1-CD1 3.86Å; I373-I429 HydrophobicContact CD1-CG1 3.72Å; I373-I429 HydrophobicContact CG1-CG1 4.17Å; I425-I429 HydrophobicContact CG2-CD1 3.77Å; I425-I429 WeakPolarHBondContact O-CD1 3.49Å; I425-I429 VanDerWaalsContact O-CG1 3.22Å; I425-I429 WeakPolarHBondContact O-CG1 3.45Å; I425-I429 PolarHBondContact O-N 3.35Å; S426-I429 WeakPolarHBondContact O-CB 3.39Å; S426-I429 PolarHBondContact O-N 3.15Å; I429-Y431 VanDerWaalsContact C-N 3.33Å; I429-Y431 PolarHBondContact O-N 2.99Å; I429-E432 PolarHBondContact O-N 3.35Å; I429-Q433 HydrophobicContact CG2-CG 4.5Å; I429-Q433 WeakPolarHBondContact O-CB 3.36Å; I429-Q433 VanDerWaalsContact O-CG 3.29Å; I429-Q433 WeakPolarHBondContact O-CG 3.29Å; I429-Q433 PolarHBondContact O-N 3.48Å
430T83.4Confident78.2Confident95 Ų9573.2 Ų73.258%0.58339%0.393SS*.Hα-helixtrans-60.6-42.5-179.8-58.20000111.8S426 Q427 Q433 G434S426-T430 PolarHBondContact O-N 3.07Å; S426-T430 PolarHBondContact O-OG1 3.4Å; S426-T430 VanDerWaalsContact O-OG1 3.07Å; Q427-T430 PolarHBondContact O-N 3.15Å; T430-Q433 PolarHBondContact O-N 3.24Å; T430-G434 PolarHBondContact O-N 3.42Å
431Y82.1Confident76.3Confident148 Ų14879.6 Ų79.658%0.5842%0.416SS*.Hα-helixtrans-61.1-49.3177-178-94.5000111.9Q427 I429 Q433 G434 V435Q427-Y431 WeakPolarHBondContact O-CB 3.42Å; Q427-Y431 PolarHBondContact O-N 3.27Å; I429-Y431 VanDerWaalsContact C-N 3.33Å; I429-Y431 PolarHBondContact O-N 2.99Å; Y431-Q433 VanDerWaalsContact C-N 3.34Å; Y431-Q433 PolarHBondContact O-N 3.43Å; Y431-G434 PolarHBondContact O-N 2.99Å; Y431-V435 HydrophobicContact CD1-CG2 4.13Å; Y431-V435 HydrophobicContact CE1-CG2 3.74Å; Y431-V435 HydrophobicContact CE2-CG2 4.45Å; Y431-V435 WeakPolarHBondContact O-CG2 3.4Å; Y431-V435 PolarHBondContact O-N 3.36Å
432E79.3Confident74.2Confident37 Ų3788.9 Ų88.917%0.17346%0.456CS..Hα-helixtrans-66-35.9-179.8-174.570-165.400112.1L369 A372 R428 I429 V435 R436L369-E432 HydrophobicContact CD2-CB 4.09Å; L369-E432 HydrophobicContact CD2-CG 3.64Å; A372-E432 HydrophobicContact CB-CB 4.08Å; A372-E432 HydrophobicContact CB-CG 3.7Å; R428-E432 WeakPolarHBondContact O-CB 3.43Å; R428-E432 PolarHBondContact O-N 3.25Å; I429-E432 PolarHBondContact O-N 3.35Å; E432-V435 PolarHBondContact O-N 3.32Å; E432-R436 WeakPolarHBondContact O-CB 3.48Å; E432-R436 WeakPolarHBondContact O-CG 3.22Å; E432-R436 PolarHBondContact O-N 3.47Å; E432-R436 IonicContact OE1-CZ 2.76Å; E432-R436 IonicContact OE1-NE 2.7Å; E432-R436 PolarHBondContact OE1-NE 3.48Å; E432-R436 IonicContact OE1-NH2 2.77Å; E432-R436 PolarHBondContact OE1-NH2 3.27Å
433Q78.3Confident71.8Confident93 Ų9391.4 Ų91.444%0.43548%0.477SS..Hα-helixtrans-62.1-43172.9-73.7179.110.100111.6L369 I429 T430 Y431 R436 A437L369-Q433 HydrophobicContact CD1-CG 3.51Å; L369-Q433 HydrophobicContact CD2-CG 4.13Å; L369-Q433 HydrophobicContact CG-CG 4.5Å; I429-Q433 HydrophobicContact CG2-CG 4.5Å; I429-Q433 WeakPolarHBondContact O-CB 3.36Å; I429-Q433 VanDerWaalsContact O-CG 3.29Å; I429-Q433 WeakPolarHBondContact O-CG 3.29Å; I429-Q433 PolarHBondContact O-N 3.48Å; T430-Q433 PolarHBondContact O-N 3.24Å; Y431-Q433 VanDerWaalsContact C-N 3.34Å; Y431-Q433 PolarHBondContact O-N 3.43Å; Q433-R436 PolarHBondContact O-N 3.43Å; Q433-A437 WeakPolarHBondContact O-CB 3.46Å; Q433-A437 PolarHBondContact O-N 3.28Å
434G75.5Confident69.2Low36 Ų3691.9 Ų91.937%0.37153%0.525SS..Hα-helixtrans-66.9-40.1176.900000113.6T430 Y431 R436 A437 T438T430-G434 PolarHBondContact O-N 3.42Å; Y431-G434 PolarHBondContact O-N 2.99Å; G434-R436 VanDerWaalsContact C-N 3.34Å; G434-R436 PolarHBondContact O-N 3.45Å; G434-A437 PolarHBondContact O-N 3.29Å; G434-T438 PolarHBondContact O-N 3.3Å; G434-T438 PolarHBondContact O-OG1 3.47Å
435V73.4Confident68.3Low63 Ų6394.3 Ų94.338%0.38254%0.539SS..Hα-helixtrans-66-37.2176.3174.20000111.4Y431 E432 T438 N439Y431-V435 HydrophobicContact CD1-CG2 4.13Å; Y431-V435 HydrophobicContact CE1-CG2 3.74Å; Y431-V435 HydrophobicContact CE2-CG2 4.45Å; Y431-V435 WeakPolarHBondContact O-CG2 3.4Å; Y431-V435 PolarHBondContact O-N 3.36Å; E432-V435 PolarHBondContact O-N 3.32Å; V435-T438 WeakPolarHBondContact CA-OG1 3.35Å; V435-T438 PolarHBondContact O-N 2.8Å; V435-T438 PolarHBondContact O-OG1 3.3Å; V435-N439 PolarHBondContact O-N 3.5Å
436R66.3Low67.1Low102 Ų10299.2 Ų99.239%0.38557%0.567SS.*Hα-helixtrans-74.8-32.4176.8-72177.3-179.8-145.111.7113.3N368 E432 Q433 G434 T438 N439N368-R436 PolarHBondContact O-NH1 3.33Å; N368-R436 PolarHBondContact O-NH2 3.44Å; E432-R436 WeakPolarHBondContact O-CB 3.48Å; E432-R436 WeakPolarHBondContact O-CG 3.22Å; E432-R436 PolarHBondContact O-N 3.47Å; E432-R436 IonicContact OE1-CZ 2.76Å; E432-R436 IonicContact OE1-NE 2.7Å; E432-R436 PolarHBondContact OE1-NE 3.48Å; E432-R436 IonicContact OE1-NH2 2.77Å; E432-R436 PolarHBondContact OE1-NH2 3.27Å; Q433-R436 PolarHBondContact O-N 3.43Å; G434-R436 VanDerWaalsContact C-N 3.34Å; G434-R436 PolarHBondContact O-N 3.45Å; R436-T438 PolarHBondContact O-N 3.14Å; R436-N439 PolarHBondContact O-N 3.38Å
437A61.8Low66.1Low85 Ų85102.2 Ų102.270%0.70258%0.581SS**Hα-helixtrans-64.8-27.6173.100000112.3Q433 G434Q433-A437 WeakPolarHBondContact O-CB 3.46Å; Q433-A437 PolarHBondContact O-N 3.28Å; G434-A437 PolarHBondContact O-N 3.29Å
438T60.4Low64.9Low115 Ų115102.2 Ų102.271%0.70659%0.587SS**Hα-helixtrans-93.9-14.3-178.848.70000114.2G434 V435 R436G434-T438 PolarHBondContact O-N 3.3Å; G434-T438 PolarHBondContact O-OG1 3.47Å; V435-T438 WeakPolarHBondContact CA-OG1 3.35Å; V435-T438 PolarHBondContact O-N 2.8Å; V435-T438 PolarHBondContact O-OG1 3.3Å; R436-T438 PolarHBondContact O-N 3.14Å
439N53.4Low63.7Low96 Ų96103.3 Ų103.351%0.51360%0.604SS.*  trans-144.286.5179.8-159.8-1000113.2V435 R436 Q441V435-N439 PolarHBondContact O-N 3.5Å; R436-N439 PolarHBondContact O-N 3.38Å; N439-Q441 PolarHBondContact O-N 3.39Å
440P55.2Low62.2Low110 Ų110108.9 Ų108.971%0.71464%0.638SS**THydrogen-bonded Turntrans-74.1-0.2-176.128.1-33.6000115.2
441Q45.7Very low60.7Low177 Ų177109.9 Ų109.983%0.82764%0.642SS**THydrogen-bonded Turntrans-101.85-169.1-94.9-173.7-16.600117.4N439N439-Q441 PolarHBondContact O-N 3.39Å
442K44.2Very low59.1Low194 Ų194106.9 Ų106.984%0.84365%0.646SS**  trans-115.468.8170.9-86.1-173.6175.3179.70111.5
443V39.4Very low57.4Low131 Ų131112.8 Ų112.879%0.79469%0.686SS**  trans-128.485.4162.4-156.60000107.4
444G34.9Very low55.5Low151 Ų151114.5 Ų114.5100%1.55771%0.709SS**  trans-128.40163.900000107.5

Retrieved 444 of 444 residues in 106.3 ms (Link to these results)

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