A0A060W5R7_ONCMY Loading...

Nucleolar GTP-binding protein 1

Involved in the biogenesis of the 60S ribosomal subunit.

AlphaFold DB , UniProt , Accession A0A060W5R7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene gtpbp4, Length 636 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
1M45.3Very low77.2Confident196 Ų19695 Ų9597%0.96648%0.483SS*.  0135.70-74.7175.5176.700106.9L3 N167M1-L3 PolarHBondContact O-N 3.37Å; M1-N167 HydrophobicContact SD-CB 4.45Å
2A45.3Very low78.8Confident76 Ų7687.3 Ų87.363%0.62844%0.444SS*.  trans-66.3107-17800000109Y4A2-Y4 HydrophobicContact CB-CE1 4.45Å; A2-Y4 PolarHBondContact O-N 3.42Å; A2-Y4 VanDerWaalsContact O-N 3.14Å
3L61.3Low80Confident122 Ų12281.8 Ų81.864%0.63942%0.418SS*.  trans-63.9109.3159.3-87.9143.1000106M1 N5M1-L3 PolarHBondContact O-N 3.37Å; L3-N5 PolarHBondContact O-N 3.36Å
4Y69.9Low81.2Confident72 Ų7280.8 Ų80.828%0.28242%0.417SS..  trans-66.2109.8-179.5-57.2-74.5000108.4A2 I75 H76 Y79A2-Y4 HydrophobicContact CB-CE1 4.45Å; A2-Y4 PolarHBondContact O-N 3.42Å; A2-Y4 VanDerWaalsContact O-N 3.14Å; Y4-I75 HydrophobicContact CD1-CD1 3.94Å; Y4-I75 HydrophobicContact CD1-CG1 3.95Å; Y4-I75 HydrophobicContact CD2-CG1 4.43Å; Y4-I75 HydrophobicContact CE1-CD1 4.14Å; Y4-I75 HydrophobicContact CE1-CG1 3.61Å; Y4-I75 HydrophobicContact CE2-CG1 4.12Å; Y4-I75 HydrophobicContact CG-CD1 4.16Å; Y4-I75 HydrophobicContact CG-CG1 4.35Å; Y4-H76 HydrophobicContact CE2-CB 3.97Å; Y4-H76 PolarHBondContact OH-N 3.15Å; Y4-Y79 AromaticContact CD2-CD2 3.56Å; Y4-Y79 HydrophobicContact CD2-CD2 3.56Å; Y4-Y79 AromaticContact CD2-CE2 3.6Å; Y4-Y79 HydrophobicContact CD2-CE2 3.6Å; Y4-Y79 AromaticContact CE2-CD2 3.98Å; Y4-Y79 HydrophobicContact CE2-CD2 3.98Å; Y4-Y79 HydrophobicContact CE2-CE2 4.32Å; Y4-Y79 HydrophobicContact CG-CD2 4.38Å; Y4-Y79 HydrophobicContact CG-CE2 4.43Å
5N78.4Confident82.2Confident78 Ų7876.3 Ų76.342%0.41740%0.396SS..  trans-106.795177.5-175-9.9000109.2L3 K7L3-N5 PolarHBondContact O-N 3.36Å; N5-K7 PolarHBondContact O-N 3.25Å; N5-K7 VanDerWaalsContact OD1-CB 3.3Å; N5-K7 WeakPolarHBondContact OD1-CB 3.37Å; N5-K7 PolarHBondContact OD1-N 3.41Å
6F87.5Confident83Confident13 Ų1380.9 Ų80.96%0.05741%0.412CS..G310 helixtrans-74.6-6-179.2-52.8-52.7000114.3K8 I9 P70 I75 Y79 L158F6-K8 PolarHBondContact O-N 3.4Å; F6-I9 WeakPolarHBondContact O-CG1 3.41Å; F6-P70 HydrophobicContact CD1-CG 4.3Å; F6-P70 HydrophobicContact CE1-CB 4.26Å; F6-P70 HydrophobicContact CE1-CG 4.12Å; F6-I75 HydrophobicContact CE1-CD1 4Å; F6-I75 HydrophobicContact CZ-CD1 4.03Å; F6-Y79 AromaticContact CE2-CD1 3.84Å; F6-Y79 HydrophobicContact CE2-CD1 3.84Å; F6-Y79 AromaticContact CE2-CE1 3.62Å; F6-Y79 HydrophobicContact CE2-CE1 3.62Å; F6-Y79 AromaticContact CZ-CD1 3.79Å; F6-Y79 HydrophobicContact CZ-CD1 3.79Å; F6-Y79 AromaticContact CZ-CE1 3.97Å; F6-Y79 HydrophobicContact CZ-CE1 3.97Å; F6-Y79 HydrophobicContact CZ-CG 4.16Å; F6-L158 HydrophobicContact CB-CD1 4.4Å; F6-L158 HydrophobicContact CB-CD2 3.75Å; F6-L158 HydrophobicContact CB-CG 3.55Å; F6-L158 HydrophobicContact CD1-CD1 4.28Å; F6-L158 HydrophobicContact CD1-CD2 3.81Å; F6-L158 HydrophobicContact CD1-CG 4.09Å; F6-L158 HydrophobicContact CD2-CD1 3.82Å; F6-L158 HydrophobicContact CD2-CG 3.92Å; F6-L158 HydrophobicContact CE2-CD1 4.11Å; F6-L158 HydrophobicContact CG-CD1 3.92Å; F6-L158 HydrophobicContact CG-CD2 3.8Å; F6-L158 HydrophobicContact CG-CG 3.6Å; F6-L158 HydrophobicContact CZ-CD1 4.46Å
7K89.8Confident83.8Confident144 Ų14482.2 Ų82.263%0.62642%0.416SS*.G310 helixtrans-75.8-12.3178.1-58.1-174.6176.4-177.50113.2N5 I9 S159N5-K7 PolarHBondContact O-N 3.25Å; N5-K7 VanDerWaalsContact OD1-CB 3.3Å; N5-K7 WeakPolarHBondContact OD1-CB 3.37Å; N5-K7 PolarHBondContact OD1-N 3.41Å; K7-I9 VanDerWaalsContact C-N 3.29Å; K7-I9 PolarHBondContact O-N 3.04Å; K7-S159 WeakPolarHBondContact CE-O 3.48Å
8K90.6Very high84.6Confident164 Ų16477.8 Ų77.871%0.71339%0.394SS*.G310 helixtrans-78.9-9.3-179-68-172177-176.10114F6 M10F6-K8 PolarHBondContact O-N 3.4Å; K8-M10 PolarHBondContact O-N 3.22Å
9I92.4Very high85.2Confident10 Ų1074.3 Ų74.35%0.05138%0.376CS..PPolyproline II helixtrans-70123.8-177.7-53.1176.8000109.6F6 K7 D68 F69 R155 L158F6-I9 WeakPolarHBondContact O-CG1 3.41Å; K7-I9 VanDerWaalsContact C-N 3.29Å; K7-I9 PolarHBondContact O-N 3.04Å; I9-D68 HydrophobicContact CB-CB 4.4Å; I9-D68 HydrophobicContact CG1-CB 4.43Å; I9-D68 WeakPolarHBondContact CG1-O 3.2Å; I9-D68 HydrophobicContact CG2-CB 3.97Å; I9-F69 HydrophobicContact CD1-CD1 4.49Å; I9-F69 HydrophobicContact CG2-CD2 3.77Å; I9-F69 HydrophobicContact CG2-CE2 3.54Å; I9-F69 HydrophobicContact CG2-CG 4.48Å; I9-F69 HydrophobicContact CG2-CZ 4.06Å; I9-R155 HydrophobicContact CB-CG 3.91Å; I9-R155 HydrophobicContact CG2-CG 3.69Å; I9-L158 HydrophobicContact CD1-CD2 3.61Å
10M93.6Very high85.8Confident88 Ų8875 Ų7543%0.43338%0.381SS..PPolyproline II helixtrans-66.9150.5177.7-71.4-155.675.200112.4K8 V12 R61 Q64 D68 R155K8-M10 PolarHBondContact O-N 3.22Å; M10-V12 PolarHBondContact O-N 3.43Å; M10-R61 PolarHBondContact SD-NH1 3.25Å; M10-Q64 HydrophobicContact SD-CG 4.45Å; M10-Q64 PolarHBondContact SD-NE2 3.29Å; M10-Q64 PolarHBondContact SD-OE1 3.15Å; M10-D68 PolarHBondContact N-OD2 3.28Å; M10-R155 WeakPolarHBondContact O-CD 3.11Å
11V95.4Very high86.4Confident82 Ų8275.2 Ų75.250%0.49738%0.382SS..PPolyproline II helixtrans-56.5127.6176.2-178.70000110.9P13 R61V11-P13 WeakPolarHBondContact O-CD 3.24Å; V11-R61 PolarHBondContact O-NH2 3.28Å
12V95.7Very high88.9Confident3 Ų366.1 Ų66.12%0.01834%0.337CS..  trans-89.9108.8176.6-178.40000107.7M10 I65 F69 L148 E152M10-V12 PolarHBondContact O-N 3.43Å; V12-I65 HydrophobicContact CG1-CD1 4.07Å; V12-I65 HydrophobicContact CG2-CD1 4.46Å; V12-I65 HydrophobicContact CG2-CG1 4.28Å; V12-I65 HydrophobicContact CG2-CG2 4.43Å; V12-F69 HydrophobicContact CG2-CE2 3.72Å; V12-F69 HydrophobicContact CG2-CZ 3.99Å; V12-L148 HydrophobicContact CG1-CB 4.3Å; V12-L148 HydrophobicContact CG1-CD2 3.56Å; V12-E152 HydrophobicContact CB-CB 4.11Å; V12-E152 PolarHBondContact N-OE2 3.05Å
13P95.4Very high91.3Very high16 Ų1665.2 Ų65.210%0.10432%0.322CS..  trans-71.1156.2-178.930.6-35000110.9V11 E17 F18 I21V11-P13 WeakPolarHBondContact O-CD 3.24Å; P13-E17 HydrophobicContact CB-CB 4.19Å; P13-F18 HydrophobicContact CB-CB 4.44Å; P13-F18 HydrophobicContact CG-CB 3.95Å; P13-F18 HydrophobicContact CG-CD1 3.68Å; P13-F18 HydrophobicContact CG-CE1 4.41Å; P13-F18 HydrophobicContact CG-CG 3.9Å; P13-I21 HydrophobicContact CB-CD1 4.47Å
14T96.4Very high93.1Very high67 Ų6761 Ų6141%0.41130%0.302SS..  trans-62.7158.4171.9640000111K16 E17 F18T14-K16 PolarHBondContact O-N 3.44Å; T14-K16 VanDerWaalsContact O-N 3.16Å; T14-E17 PolarHBondContact N-OE2 3.27Å; T14-E17 VanDerWaalsContact N-OE2 3.12Å; T14-E17 PolarHBondContact O-N 3Å; T14-E17 WeakPolarHBondContact OG1-CB 3.34Å; T14-E17 WeakPolarHBondContact OG1-CG 3.43Å; T14-E17 PolarHBondContact OG1-N 3.27Å; T14-E17 PolarHBondContact OG1-OE2 3.36Å; T14-F18 WeakPolarHBondContact O-CB 3.45Å; T14-F18 PolarHBondContact O-N 3.07Å
15S95.7Very high94.4Very high13 Ų1361.9 Ų61.99%0.09131%0.308CS..Hα-helixtrans-57.3-34.9-178.463.90000113.3I19S15-I19 WeakPolarHBondContact O-CD1 3.1Å; S15-I19 VanDerWaalsContact O-CG1 3.24Å; S15-I19 WeakPolarHBondContact O-CG1 3.41Å; S15-I19 PolarHBondContact O-N 3.25Å
16K96.1Very high95.3Very high151 Ų15158.5 Ų58.566%0.65729%0.29SS*.Hα-helixtrans-69.7-51.9177.3-174.3177177.4-176.30111.4T14 F18 I19 D20T14-K16 PolarHBondContact O-N 3.44Å; T14-K16 VanDerWaalsContact O-N 3.16Å; K16-F18 VanDerWaalsContact C-N 3.29Å; K16-F18 PolarHBondContact O-N 3.2Å; K16-I19 PolarHBondContact O-N 3.22Å; K16-D20 PolarHBondContact O-N 3.32Å
17E96.6Very high95.7Very high102 Ų10264.2 Ų64.248%0.47732%0.316SS..Hα-helixtrans-61-39.3178.3-69.5165.715800111.8P13 T14 I19 D20 I21P13-E17 HydrophobicContact CB-CB 4.19Å; T14-E17 PolarHBondContact N-OE2 3.27Å; T14-E17 VanDerWaalsContact N-OE2 3.12Å; T14-E17 PolarHBondContact O-N 3Å; T14-E17 WeakPolarHBondContact OG1-CB 3.34Å; T14-E17 WeakPolarHBondContact OG1-CG 3.43Å; T14-E17 PolarHBondContact OG1-N 3.27Å; T14-E17 PolarHBondContact OG1-OE2 3.36Å; E17-I19 VanDerWaalsContact C-N 3.33Å; E17-I19 PolarHBondContact O-N 3.35Å; E17-D20 PolarHBondContact O-N 3.15Å; E17-I21 WeakPolarHBondContact O-CB 3.48Å; E17-I21 WeakPolarHBondContact O-CD1 3.49Å; E17-I21 WeakPolarHBondContact O-CG1 3.45Å; E17-I21 PolarHBondContact O-N 3.32Å
18F96.7Very high96Very high4 Ų467.4 Ų67.42%0.01833%0.325CS..Hα-helixtrans-58.2-47.7176.8-156.6144.5000110.5P13 T14 K16 T22 Y58 R61 L62 I65 M141 L148P13-F18 HydrophobicContact CB-CB 4.44Å; P13-F18 HydrophobicContact CG-CB 3.95Å; P13-F18 HydrophobicContact CG-CD1 3.68Å; P13-F18 HydrophobicContact CG-CE1 4.41Å; P13-F18 HydrophobicContact CG-CG 3.9Å; T14-F18 WeakPolarHBondContact O-CB 3.45Å; T14-F18 PolarHBondContact O-N 3.07Å; K16-F18 VanDerWaalsContact C-N 3.29Å; K16-F18 PolarHBondContact O-N 3.2Å; F18-T22 WeakPolarHBondContact O-CB 3.44Å; F18-T22 PolarHBondContact O-N 3.41Å; F18-T22 PolarHBondContact O-OG1 3.02Å; F18-Y58 AromaticContact CD2-CD1 3.91Å; F18-Y58 HydrophobicContact CD2-CD1 3.91Å; F18-Y58 AromaticContact CD2-CE1 3.73Å; F18-Y58 HydrophobicContact CD2-CE1 3.73Å; F18-Y58 AromaticContact CE2-CD1 3.51Å; F18-Y58 HydrophobicContact CE2-CD1 3.51Å; F18-Y58 AromaticContact CE2-CE1 3.85Å; F18-Y58 HydrophobicContact CE2-CE1 3.85Å; F18-Y58 HydrophobicContact CZ-CD1 4.25Å; F18-R61 HydrophobicContact CE1-CB 4.49Å; F18-R61 HydrophobicContact CE1-CG 3.82Å; F18-R61 HydrophobicContact CE2-CB 3.85Å; F18-R61 HydrophobicContact CE2-CG 3.73Å; F18-R61 HydrophobicContact CZ-CB 3.5Å; F18-R61 HydrophobicContact CZ-CG 3.23Å; F18-L62 HydrophobicContact CE1-CD2 3.94Å; F18-L62 HydrophobicContact CZ-CD2 4.06Å; F18-L62 HydrophobicContact CZ-CG 4.17Å; F18-I65 HydrophobicContact CE1-CD1 4.11Å; F18-M141 HydrophobicContact CD1-CE 3.69Å; F18-M141 HydrophobicContact CD2-CE 4.45Å; F18-M141 HydrophobicContact CE1-CE 3.78Å; F18-M141 HydrophobicContact CG-CE 4.04Å; F18-M141 HydrophobicContact CZ-CE 4.2Å; F18-L148 HydrophobicContact CD1-CD1 4.37Å
19I97.4Very high96.3Very high10 Ų1066.4 Ų66.45%0.05132%0.32CS..Hα-helixtrans-60.7-48177.2-69.6164.2000110.5S15 K16 E17 I21 T22 L23 C138 M141 K142S15-I19 WeakPolarHBondContact O-CD1 3.1Å; S15-I19 VanDerWaalsContact O-CG1 3.24Å; S15-I19 WeakPolarHBondContact O-CG1 3.41Å; S15-I19 PolarHBondContact O-N 3.25Å; K16-I19 PolarHBondContact O-N 3.22Å; E17-I19 VanDerWaalsContact C-N 3.33Å; E17-I19 PolarHBondContact O-N 3.35Å; I19-I21 PolarHBondContact O-N 2.87Å; I19-T22 PolarHBondContact O-N 2.78Å; I19-L23 HydrophobicContact CG2-CD1 3.72Å; I19-L23 HydrophobicContact CG2-CG 4.21Å; I19-L23 WeakPolarHBondContact O-CB 3.45Å; I19-L23 WeakPolarHBondContact O-CG 3.48Å; I19-L23 PolarHBondContact O-N 2.91Å; I19-C138 HydrophobicContact CD1-CB 4.18Å; I19-C138 HydrophobicContact CG1-CB 4.38Å; I19-C138 HydrophobicContact CG2-CB 4.29Å; I19-M141 HydrophobicContact CD1-CB 4.18Å; I19-M141 HydrophobicContact CG1-CB 4.07Å; I19-K142 HydrophobicContact CD1-CD 4.4Å; I19-K142 HydrophobicContact CD1-CG 3.55Å
20D97.4Very high96.5Very high89 Ų8966.3 Ų66.348%0.47632%0.32SS..Hα-helixtrans-63.2-44.6-177.6-68.5-22.6000111.6K16 E17 T22 S24K16-D20 PolarHBondContact O-N 3.32Å; E17-D20 PolarHBondContact O-N 3.15Å; D20-T22 VanDerWaalsContact C-N 3.33Å; D20-T22 PolarHBondContact O-N 3.31Å; D20-S24 WeakPolarHBondContact O-CB 3.49Å; D20-S24 PolarHBondContact O-N 3.32Å
21I97.1Very high96.6Very high80 Ų8065.3 Ų65.341%0.4132%0.32SS..Hα-helixtrans-58.8-46175.3-69.7163.8000110.4P13 E17 I19 K25P13-I21 HydrophobicContact CB-CD1 4.47Å; E17-I21 WeakPolarHBondContact O-CB 3.48Å; E17-I21 WeakPolarHBondContact O-CD1 3.49Å; E17-I21 WeakPolarHBondContact O-CG1 3.45Å; E17-I21 PolarHBondContact O-N 3.32Å; I19-I21 PolarHBondContact O-N 2.87Å; I21-K25 HydrophobicContact CG2-CD 4.18Å; I21-K25 WeakPolarHBondContact O-CB 3.4Å; I21-K25 VanDerWaalsContact O-CG 3.3Å; I21-K25 WeakPolarHBondContact O-CG 3.3Å; I21-K25 PolarHBondContact O-N 3.15Å
22T97.4Very high96.6Very high4 Ų465.6 Ų65.63%0.02532%0.322CS..Hα-helixtrans-72.1-42.3-174.2-55.60000112.2F18 I19 D20 T26 T54 N57 Y58F18-T22 WeakPolarHBondContact O-CB 3.44Å; F18-T22 PolarHBondContact O-N 3.41Å; F18-T22 PolarHBondContact O-OG1 3.02Å; I19-T22 PolarHBondContact O-N 2.78Å; D20-T22 VanDerWaalsContact C-N 3.33Å; D20-T22 PolarHBondContact O-N 3.31Å; T22-T26 WeakPolarHBondContact O-CB 3.42Å; T22-T26 PolarHBondContact O-N 3.07Å; T22-T26 PolarHBondContact O-OG1 3.42Å; T22-T54 HydrophobicContact CG2-CG2 3.82Å; T22-N57 HydrophobicContact CG2-CB 3.9Å; T22-Y58 HydrophobicContact CG2-CD1 4.19Å; T22-Y58 HydrophobicContact CG2-CD2 3.89Å; T22-Y58 HydrophobicContact CG2-CE1 3.97Å; T22-Y58 HydrophobicContact CG2-CE2 3.7Å; T22-Y58 HydrophobicContact CG2-CG 4.13Å
23L97.3Very high96.6Very high58 Ų5870.2 Ų70.230%0.30435%0.35SS..Hα-helixtrans-68.5-40.6176-67.8-178.2000111.4I19 T26 Q27 L134I19-L23 HydrophobicContact CG2-CD1 3.72Å; I19-L23 HydrophobicContact CG2-CG 4.21Å; I19-L23 WeakPolarHBondContact O-CB 3.45Å; I19-L23 WeakPolarHBondContact O-CG 3.48Å; I19-L23 PolarHBondContact O-N 2.91Å; L23-T26 WeakPolarHBondContact O-CB 3.47Å; L23-T26 PolarHBondContact O-N 3.16Å; L23-Q27 PolarHBondContact O-N 3.42Å; L23-L134 HydrophobicContact CD2-CD1 4.49Å
24S97.6Very high96.6Very high33 Ų3370.8 Ų70.823%0.23135%0.353CS..Hα-helixtrans-60.8-47.1174.3-178.20000111.6D20 T26 Q27 R28D20-S24 WeakPolarHBondContact O-CB 3.49Å; D20-S24 PolarHBondContact O-N 3.32Å; S24-T26 VanDerWaalsContact C-N 3.31Å; S24-T26 PolarHBondContact O-N 3.43Å; S24-Q27 PolarHBondContact O-N 2.97Å; S24-Q27 VanDerWaalsContact O-N 3.16Å; S24-R28 WeakPolarHBondContact O-CG 3.47Å; S24-R28 PolarHBondContact O-N 3.02Å; S24-R28 VanDerWaalsContact OG-CZ 3.26Å; S24-R28 PolarHBondContact OG-NE 3.16Å; S24-R28 PolarHBondContact OG-NH2 2.8Å
25K97.2Very high96.5Very high91 Ų9171.6 Ų71.640%0.39635%0.352SS..Hα-helixtrans-57.6-44172.6-79.3178.5-179.3-179.90111.6I21 Q27 R28 K29I21-K25 HydrophobicContact CG2-CD 4.18Å; I21-K25 WeakPolarHBondContact O-CB 3.4Å; I21-K25 VanDerWaalsContact O-CG 3.3Å; I21-K25 WeakPolarHBondContact O-CG 3.3Å; I21-K25 PolarHBondContact O-N 3.15Å; K25-Q27 VanDerWaalsContact C-N 3.31Å; K25-Q27 PolarHBondContact O-N 3.24Å; K25-R28 PolarHBondContact O-N 3.15Å; K25-K29 VanDerWaalsContact O-CB 3.3Å; K25-K29 WeakPolarHBondContact O-CB 3.2Å; K25-K29 PolarHBondContact O-N 2.86Å
26T97.3Very high96.4Very high6 Ų679.6 Ų79.64%0.03739%0.386CS..Hα-helixtrans-61.5-40.6177.8-57.60000111.2T22 L23 S24 T30 K50 F53 T54T22-T26 WeakPolarHBondContact O-CB 3.42Å; T22-T26 PolarHBondContact O-N 3.07Å; T22-T26 PolarHBondContact O-OG1 3.42Å; L23-T26 WeakPolarHBondContact O-CB 3.47Å; L23-T26 PolarHBondContact O-N 3.16Å; S24-T26 VanDerWaalsContact C-N 3.31Å; S24-T26 PolarHBondContact O-N 3.43Å; T26-T30 PolarHBondContact O-OG1 3.21Å; T26-K50 HydrophobicContact CG2-CD 3.92Å; T26-K50 PolarHBondContact O-NZ 2.96Å; T26-F53 HydrophobicContact CG2-CD1 4.34Å; T26-T54 WeakPolarHBondContact CG2-OG1 3.29Å; T26-T54 PolarHBondContact OG1-OG1 3.27Å
27Q96.2Very high96.3Very high133 Ų13379.5 Ų79.562%0.62139%0.387SS*.Hα-helixtrans-69.5-45.3178.8-172.4171.9300112.4L23 S24 K25 T32L23-Q27 PolarHBondContact O-N 3.42Å; S24-Q27 PolarHBondContact O-N 2.97Å; S24-Q27 VanDerWaalsContact O-N 3.16Å; K25-Q27 VanDerWaalsContact C-N 3.31Å; K25-Q27 PolarHBondContact O-N 3.24Å; Q27-T32 HydrophobicContact CG-CG2 4.44Å
28R96.9Very high96.2Very high211 Ų21177.7 Ų77.780%0.79638%0.376SS*.Hα-helixtrans-75.8-38.4-175.3-64.3178.2-167.2175.44.1113.7S24 K25S24-R28 WeakPolarHBondContact O-CG 3.47Å; S24-R28 PolarHBondContact O-N 3.02Å; S24-R28 VanDerWaalsContact OG-CZ 3.26Å; S24-R28 PolarHBondContact OG-NE 3.16Å; S24-R28 PolarHBondContact OG-NH2 2.8Å; K25-R28 PolarHBondContact O-N 3.15Å
29K97.3Very high96.2Very high144 Ų14485 Ų8563%0.62641%0.41SS*.Hα-helixtrans-93.5-1.5-172.1-65.2-167.5170.1-167.40115K25 F53K25-K29 VanDerWaalsContact O-CB 3.3Å; K25-K29 WeakPolarHBondContact O-CB 3.2Å; K25-K29 PolarHBondContact O-N 2.86Å; K29-F53 HydrophobicContact CB-CE1 3.97Å; K29-F53 HydrophobicContact CB-CE2 4.41Å; K29-F53 HydrophobicContact CB-CZ 3.57Å; K29-F53 HydrophobicContact CD-CZ 3.92Å; K29-F53 HydrophobicContact CG-CZ 4.33Å
30T96.1Very high96Very high7 Ų787.4 Ų87.44%0.04342%0.423CS..SBendtrans-132.6146.2177.862.70000110.8T26 K50 F53T26-T30 PolarHBondContact O-OG1 3.21Å; T30-K50 PolarHBondContact O-NZ 3.36Å; T30-K50 WeakPolarHBondContact OG1-CD 3.27Å; T30-K50 WeakPolarHBondContact OG1-CE 3.4Å; T30-K50 PolarHBondContact OG1-NZ 2.74Å; T30-F53 HydrophobicContact CG2-CB 3.97Å; T30-F53 HydrophobicContact CG2-CD1 3.76Å; T30-F53 HydrophobicContact CG2-CD2 3.87Å; T30-F53 HydrophobicContact CG2-CE1 4.19Å; T30-F53 HydrophobicContact CG2-CE2 4.31Å; T30-F53 HydrophobicContact CG2-CG 3.58Å; T30-F53 HydrophobicContact CG2-CZ 4.46Å
31P95.9Very high95.9Very high68 Ų6889.7 Ų89.744%0.44243%0.43SS..  trans-55.8144.1-173.723.3-35.1000111.8F46 K50P31-F46 HydrophobicContact CB-CE2 4.13Å; P31-F46 HydrophobicContact CG-CD2 4.32Å; P31-F46 HydrophobicContact CG-CE2 4.2Å; P31-F46 WeakPolarHBondContact O-CE2 3.47Å; P31-F46 WeakPolarHBondContact O-CZ 3.45Å; P31-K50 WeakPolarHBondContact O-CE 3.41Å; P31-K50 PolarHBondContact O-NZ 3.21Å
32T95.5Very high95.8Very high88 Ų8892.5 Ų92.554%0.5444%0.436SS..  trans-108.1-27.8-171.549.60000113.8Q27 F46Q27-T32 HydrophobicContact CG-CG2 4.44Å; T32-F46 WeakPolarHBondContact O-CZ 3.47Å
33V95Very high95.7Very high100 Ų10092.6 Ų92.661%0.60644%0.436SS*.  trans-93.4130.2-174.6-174.50000111.2H35V33-H35 WeakPolarHBondContact CG1-NE2 3.5Å
34V94.9Very high95.7Very high27 Ų2793.3 Ų93.316%0.16444%0.435CS..  trans-148.4135.3172.462.50000109.4Y38 I43 F46 L123V34-Y38 HydrophobicContact CG2-CD2 4.11Å; V34-I43 HydrophobicContact CG2-CG1 4.09Å; V34-F46 HydrophobicContact CB-CD1 4.15Å; V34-F46 HydrophobicContact CB-CD2 4.19Å; V34-F46 HydrophobicContact CB-CE1 4.16Å; V34-F46 HydrophobicContact CB-CE2 4.16Å; V34-F46 HydrophobicContact CB-CG 4.18Å; V34-F46 HydrophobicContact CB-CZ 4.16Å; V34-F46 HydrophobicContact CG1-CD1 3.89Å; V34-F46 HydrophobicContact CG1-CE1 3.67Å; V34-F46 HydrophobicContact CG1-CG 4.43Å; V34-F46 HydrophobicContact CG1-CZ 4.01Å; V34-F46 HydrophobicContact CG2-CG 4.4Å; V34-L123 HydrophobicContact CG1-CD1 4.17Å; V34-L123 HydrophobicContact CG2-CD1 4.29Å
35H94.5Very high95.7Very high84 Ų8496.8 Ų96.839%0.38945%0.447SS..  trans-107.2154.2-179.1-60.6-83.5000111.9V33 H37 Y38V33-H35 WeakPolarHBondContact CG1-NE2 3.5Å; H35-H37 VanDerWaalsContact C-N 3.28Å; H35-H37 VanDerWaalsContact CB-NE2 3.32Å; H35-H37 WeakPolarHBondContact CB-NE2 3.34Å; H35-H37 AromaticContact CG-NE2 3.77Å; H35-H37 PolarHBondContact O-N 3.34Å; H35-Y38 HydrophobicContact CB-CD1 4.38Å; H35-Y38 HydrophobicContact CB-CE1 4.33Å; H35-Y38 AromaticContact CD2-CZ 3.77Å; H35-Y38 PolarHBondContact O-N 3.43Å
36K93.9Very high95.7Very high182 Ų18293.6 Ų93.679%0.79143%0.433SS*.THydrogen-bonded Turntrans-65.3-28.5-177.2-173-178.6175.3-173.20113.3Y38K36-Y38 VanDerWaalsContact C-N 3.3Å; K36-Y38 PolarHBondContact O-N 3.23Å
37H94.1Very high95.8Very high149 Ų14993.9 Ų93.969%0.6943%0.434SS*.THydrogen-bonded Turntrans-83-0.5-177.862.475.1000113.9H35H35-H37 VanDerWaalsContact C-N 3.28Å; H35-H37 VanDerWaalsContact CB-NE2 3.32Å; H35-H37 WeakPolarHBondContact CB-NE2 3.34Å; H35-H37 AromaticContact CG-NE2 3.77Å; H35-H37 PolarHBondContact O-N 3.34Å
38Y95.4Very high95.8Very high63 Ų6389.3 Ų89.325%0.24741%0.413CS..SBendtrans-71151.8175.4-74.1-4.4000111.7V34 H35 K36 I40 R42 I43V34-Y38 HydrophobicContact CG2-CD2 4.11Å; H35-Y38 HydrophobicContact CB-CD1 4.38Å; H35-Y38 HydrophobicContact CB-CE1 4.33Å; H35-Y38 AromaticContact CD2-CZ 3.77Å; H35-Y38 PolarHBondContact O-N 3.43Å; K36-Y38 VanDerWaalsContact C-N 3.3Å; K36-Y38 PolarHBondContact O-N 3.23Å; Y38-I40 PolarHBondContact O-N 3.32Å; Y38-R42 HydrophobicContact CD2-CG 4.3Å; Y38-I43 WeakPolarHBondContact O-CD1 3.45Å
39Q95.5Very high95.9Very high157 Ų15785.4 Ų85.473%0.73440%0.398SS*.  trans-53.3138.2172.8-67.7173.9-19.300110.8H41 R42 I43Q39-H41 PolarHBondContact O-N 3.09Å; Q39-H41 VanDerWaalsContact O-N 3.11Å; Q39-R42 WeakPolarHBondContact O-CB 3.24Å; Q39-R42 PolarHBondContact O-N 2.65Å; Q39-I43 PolarHBondContact O-N 2.97Å
40I93.3Very high95.9Very high61 Ų6179.4 Ų79.431%0.31337%0.372SS..Hα-helixtrans-57.2-33.5-175-169.458.3000112.7Y38 R42 I43 R44 D121Y38-I40 PolarHBondContact O-N 3.32Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 2.83Å; I40-I43 HydrophobicContact CD1-CB 4.46Å; I40-I43 PolarHBondContact O-N 3.4Å; I40-R44 HydrophobicContact CD1-CG 4.4Å; I40-R44 HydrophobicContact CG1-CG 4.25Å; I40-R44 WeakPolarHBondContact O-CB 3.23Å; I40-R44 WeakPolarHBondContact O-CG 3.04Å; I40-R44 PolarHBondContact O-N 3.41Å; I40-D121 WeakPolarHBondContact CD1-O 3.24Å
41H94.8Very high96Very high137 Ų13779 Ų7963%0.63437%0.37SS*.Hα-helixtrans-55.2-46.9173.6176.7-102.1000112Q39 R44 H45Q39-H41 PolarHBondContact O-N 3.09Å; Q39-H41 VanDerWaalsContact O-N 3.11Å; H41-R44 PolarHBondContact O-N 3.45Å; H41-H45 WeakPolarHBondContact O-CB 3.02Å; H41-H45 PolarHBondContact O-N 3.12Å
42R95.9Very high96.1Very high140 Ų14081.5 Ų81.553%0.52837%0.374SS..Hα-helixtrans-65.8-39.9179-171.1174.9179.2-176.31.1111.7Y38 Q39 I40 F46Y38-R42 HydrophobicContact CD2-CG 4.3Å; Q39-R42 WeakPolarHBondContact O-CB 3.24Å; Q39-R42 PolarHBondContact O-N 2.65Å; I40-R42 VanDerWaalsContact C-N 3.33Å; I40-R42 PolarHBondContact O-N 2.83Å; R42-F46 VanDerWaalsContact O-CB 3.26Å; R42-F46 WeakPolarHBondContact O-CB 3.18Å; R42-F46 PolarHBondContact O-N 3.27Å
43I96.3Very high96.2Very high5 Ų579.9 Ų79.93%0.02636%0.359CS..Hα-helixtrans-66.5-46178.2-62.4172.8000111V34 Y38 Q39 I40 F46 Y47 L123 C126V34-I43 HydrophobicContact CG2-CG1 4.09Å; Y38-I43 WeakPolarHBondContact O-CD1 3.45Å; Q39-I43 PolarHBondContact O-N 2.97Å; I40-I43 HydrophobicContact CD1-CB 4.46Å; I40-I43 PolarHBondContact O-N 3.4Å; I43-F46 PolarHBondContact O-N 3.44Å; I43-Y47 HydrophobicContact CG2-CD2 4.07Å; I43-Y47 HydrophobicContact CG2-CE2 3.94Å; I43-Y47 VanDerWaalsContact O-CD2 3.32Å; I43-Y47 WeakPolarHBondContact O-CD2 3.3Å; I43-Y47 PolarHBondContact O-N 3.38Å; I43-L123 HydrophobicContact CD1-CB 4.33Å; I43-L123 HydrophobicContact CD1-CD1 4.47Å; I43-L123 HydrophobicContact CG2-CB 4.28Å; I43-L123 HydrophobicContact CG2-CG 4.49Å; I43-C126 HydrophobicContact CG2-CB 4.34Å
44R96.9Very high96.4Very high74 Ų7475.1 Ų75.128%0.27933%0.331SS..Hα-helixtrans-60.5-51.4176.2-71.5177-176.5165.92.1110.6I40 H41 F46 Y47 M48 K118 G120I40-R44 HydrophobicContact CD1-CG 4.4Å; I40-R44 HydrophobicContact CG1-CG 4.25Å; I40-R44 WeakPolarHBondContact O-CB 3.23Å; I40-R44 WeakPolarHBondContact O-CG 3.04Å; I40-R44 PolarHBondContact O-N 3.41Å; H41-R44 PolarHBondContact O-N 3.45Å; R44-F46 VanDerWaalsContact C-N 3.3Å; R44-F46 PolarHBondContact O-N 2.93Å; R44-Y47 PolarHBondContact O-N 3.21Å; R44-M48 HydrophobicContact CB-SD 4.35Å; R44-M48 WeakPolarHBondContact O-CB 3.45Å; R44-M48 WeakPolarHBondContact O-CG 3.44Å; R44-M48 PolarHBondContact O-N 3.44Å; R44-K118 PolarHBondContact NE-O 2.97Å; R44-K118 PolarHBondContact NH1-O 3.28Å; R44-G120 PolarHBondContact NE-O 2.92Å; R44-G120 PolarHBondContact NH2-O 3.28Å
45H97.3Very high96.5Very high106 Ų10675.2 Ų75.249%0.49133%0.329SS..Hα-helixtrans-59.2-40.3179.4-175-96.9000112.3H41 Y47 M48 R49H41-H45 WeakPolarHBondContact O-CB 3.02Å; H41-H45 PolarHBondContact O-N 3.12Å; H45-Y47 PolarHBondContact O-N 2.95Å; H45-M48 PolarHBondContact O-N 2.86Å; H45-R49 VanDerWaalsContact O-CB 3.27Å; H45-R49 WeakPolarHBondContact O-CB 3.38Å; H45-R49 PolarHBondContact O-N 3.18Å
46F97.8Very high96.7Very high24 Ų2475.3 Ų75.311%0.10533%0.33CS..Hα-helixtrans-56.3-49.2176.6178.6-88000112.5P31 T32 V34 R42 I43 R44 K50P31-F46 HydrophobicContact CB-CE2 4.13Å; P31-F46 HydrophobicContact CG-CD2 4.32Å; P31-F46 HydrophobicContact CG-CE2 4.2Å; P31-F46 WeakPolarHBondContact O-CE2 3.47Å; P31-F46 WeakPolarHBondContact O-CZ 3.45Å; T32-F46 WeakPolarHBondContact O-CZ 3.47Å; V34-F46 HydrophobicContact CB-CD1 4.15Å; V34-F46 HydrophobicContact CB-CD2 4.19Å; V34-F46 HydrophobicContact CB-CE1 4.16Å; V34-F46 HydrophobicContact CB-CE2 4.16Å; V34-F46 HydrophobicContact CB-CG 4.18Å; V34-F46 HydrophobicContact CB-CZ 4.16Å; V34-F46 HydrophobicContact CG1-CD1 3.89Å; V34-F46 HydrophobicContact CG1-CE1 3.67Å; V34-F46 HydrophobicContact CG1-CG 4.43Å; V34-F46 HydrophobicContact CG1-CZ 4.01Å; V34-F46 HydrophobicContact CG2-CG 4.4Å; R42-F46 VanDerWaalsContact O-CB 3.26Å; R42-F46 WeakPolarHBondContact O-CB 3.18Å; R42-F46 PolarHBondContact O-N 3.27Å; I43-F46 PolarHBondContact O-N 3.44Å; R44-F46 VanDerWaalsContact C-N 3.3Å; R44-F46 PolarHBondContact O-N 2.93Å; F46-K50 WeakPolarHBondContact O-CG 3.42Å; F46-K50 PolarHBondContact O-N 3.37Å
47Y97.8Very high96.9Very high11 Ų1168 Ų684%0.04330%0.299CS..Hα-helixtrans-79-34.3-179.2-69.2-58.7000113.6I43 R44 H45 R49 K50 V51 L123 C126 K127 K130I43-Y47 HydrophobicContact CG2-CD2 4.07Å; I43-Y47 HydrophobicContact CG2-CE2 3.94Å; I43-Y47 VanDerWaalsContact O-CD2 3.32Å; I43-Y47 WeakPolarHBondContact O-CD2 3.3Å; I43-Y47 PolarHBondContact O-N 3.38Å; R44-Y47 PolarHBondContact O-N 3.21Å; H45-Y47 PolarHBondContact O-N 2.95Å; Y47-R49 VanDerWaalsContact C-N 3.29Å; Y47-R49 PolarHBondContact O-N 2.95Å; Y47-K50 PolarHBondContact O-N 3.11Å; Y47-V51 PolarHBondContact O-N 3.25Å; Y47-V51 VanDerWaalsContact O-N 3.09Å; Y47-L123 HydrophobicContact CE2-CG 4.5Å; Y47-C126 HydrophobicContact CD2-CB 3.41Å; Y47-C126 VanDerWaalsContact CD2-CB 3.41Å; Y47-C126 HydrophobicContact CE2-CB 3.88Å; Y47-C126 HydrophobicContact CG-CB 4.27Å; Y47-K127 HydrophobicContact CE1-CB 4.49Å; Y47-K127 HydrophobicContact CE2-CB 4.41Å; Y47-K130 HydrophobicContact CD1-CB 3.91Å; Y47-K130 HydrophobicContact CD1-CD 4.26Å; Y47-K130 VanDerWaalsContact CD1-CE 3.48Å; Y47-K130 HydrophobicContact CD1-CG 3.9Å; Y47-K130 VanDerWaalsContact CE1-CE 3.44Å; Y47-K130 HydrophobicContact CG-CB 4.29Å
48M97.5Very high97.1Very high38 Ų3860.9 Ų60.919%0.18727%0.266CS..Hα-helixtrans-59.7-42.1171.9-71.4170.281.800110.9R44 H45 K50 V51 K52 V114 M117 K118R44-M48 HydrophobicContact CB-SD 4.35Å; R44-M48 WeakPolarHBondContact O-CB 3.45Å; R44-M48 WeakPolarHBondContact O-CG 3.44Å; R44-M48 PolarHBondContact O-N 3.44Å; H45-M48 PolarHBondContact O-N 2.86Å; M48-K50 PolarHBondContact O-N 2.68Å; M48-V51 PolarHBondContact O-N 2.97Å; M48-K52 WeakPolarHBondContact O-CB 3.39Å; M48-K52 PolarHBondContact O-N 3.48Å; M48-V114 HydrophobicContact CE-CG1 3.52Å; M48-M117 HydrophobicContact CG-CB 3.93Å; M48-M117 HydrophobicContact CG-SD 4.13Å; M48-K118 HydrophobicContact CE-CG 4.19Å
49R97.7Very high97.2Very high128 Ų12860.3 Ų60.348%0.48327%0.266SS..Hα-helixtrans-61.7-42.7175.7-173.9175.6-177.2177.82.1111.7H45 Y47 F53H45-R49 VanDerWaalsContact O-CB 3.27Å; H45-R49 WeakPolarHBondContact O-CB 3.38Å; H45-R49 PolarHBondContact O-N 3.18Å; Y47-R49 VanDerWaalsContact C-N 3.29Å; Y47-R49 PolarHBondContact O-N 2.95Å; R49-F53 WeakPolarHBondContact O-CB 3.43Å; R49-F53 PolarHBondContact O-N 3Å
50K97.8Very high97.3Very high18 Ų1856.6 Ų56.68%0.07825%0.251CS..Hα-helixtrans-60.1-48.7177.2-71.2-84.7176.8-175.50111.5T26 T30 P31 F46 Y47 M48 F53 T54 K130T26-K50 HydrophobicContact CG2-CD 3.92Å; T26-K50 PolarHBondContact O-NZ 2.96Å; T30-K50 PolarHBondContact O-NZ 3.36Å; T30-K50 WeakPolarHBondContact OG1-CD 3.27Å; T30-K50 WeakPolarHBondContact OG1-CE 3.4Å; T30-K50 PolarHBondContact OG1-NZ 2.74Å; P31-K50 WeakPolarHBondContact O-CE 3.41Å; P31-K50 PolarHBondContact O-NZ 3.21Å; F46-K50 WeakPolarHBondContact O-CG 3.42Å; F46-K50 PolarHBondContact O-N 3.37Å; Y47-K50 PolarHBondContact O-N 3.11Å; M48-K50 PolarHBondContact O-N 2.68Å; K50-F53 PolarHBondContact O-N 3.43Å; K50-T54 PolarHBondContact O-N 3.32Å; K50-T54 PolarHBondContact O-OG1 2.61Å; K50-K130 HydrophobicContact CB-CG 4.35Å
51V98.1Very high97.4Very high0 Ų056.2 Ų56.20%025%0.245CC..Hα-helixtrans-65.6-47179.91740000111.9Y47 M48 F53 T54 Q55 V114 M117 K130 A133 M137Y47-V51 PolarHBondContact O-N 3.25Å; Y47-V51 VanDerWaalsContact O-N 3.09Å; M48-V51 PolarHBondContact O-N 2.97Å; V51-F53 VanDerWaalsContact C-N 3.34Å; V51-F53 PolarHBondContact O-N 2.76Å; V51-T54 PolarHBondContact O-N 2.98Å; V51-Q55 PolarHBondContact O-N 3.31Å; V51-V114 HydrophobicContact CG1-CG2 4.23Å; V51-M117 HydrophobicContact CB-CE 4.37Å; V51-M117 HydrophobicContact CG2-CE 3.45Å; V51-M117 VanDerWaalsContact CG2-CE 3.45Å; V51-M117 HydrophobicContact CG2-SD 4.48Å; V51-K130 HydrophobicContact CG2-CB 4.36Å; V51-K130 HydrophobicContact CG2-CG 4.05Å; V51-A133 HydrophobicContact CG1-CB 3.98Å; V51-A133 HydrophobicContact CG2-CB 3.74Å; V51-M137 HydrophobicContact CG1-CE 3.88Å
52K98.2Very high97.5Very high120 Ų12049.7 Ų49.752%0.52222%0.215SC..Hα-helixtrans-60.8-42.9176.7-79.4-162.9171.4-167.70112.2M48 T54 Q55 Q56 V114M48-K52 WeakPolarHBondContact O-CB 3.39Å; M48-K52 PolarHBondContact O-N 3.48Å; K52-T54 PolarHBondContact O-N 3.44Å; K52-Q55 PolarHBondContact O-N 3.42Å; K52-Q56 WeakPolarHBondContact O-CB 3.33Å; K52-Q56 PolarHBondContact O-N 3.49Å; K52-V114 HydrophobicContact CG-CG2 3.86Å
53F98.4Very high97.6Very high54 Ų5444.2 Ų44.224%0.23720%0.199CC..Hα-helixtrans-63.3-42.7179.3-171.8-94.3000111.8T26 K29 T30 R49 K50 V51 Q56 N57T26-F53 HydrophobicContact CG2-CD1 4.34Å; K29-F53 HydrophobicContact CB-CE1 3.97Å; K29-F53 HydrophobicContact CB-CE2 4.41Å; K29-F53 HydrophobicContact CB-CZ 3.57Å; K29-F53 HydrophobicContact CD-CZ 3.92Å; K29-F53 HydrophobicContact CG-CZ 4.33Å; T30-F53 HydrophobicContact CG2-CB 3.97Å; T30-F53 HydrophobicContact CG2-CD1 3.76Å; T30-F53 HydrophobicContact CG2-CD2 3.87Å; T30-F53 HydrophobicContact CG2-CE1 4.19Å; T30-F53 HydrophobicContact CG2-CE2 4.31Å; T30-F53 HydrophobicContact CG2-CG 3.58Å; T30-F53 HydrophobicContact CG2-CZ 4.46Å; R49-F53 WeakPolarHBondContact O-CB 3.43Å; R49-F53 PolarHBondContact O-N 3Å; K50-F53 PolarHBondContact O-N 3.43Å; V51-F53 VanDerWaalsContact C-N 3.34Å; V51-F53 PolarHBondContact O-N 2.76Å; F53-Q56 PolarHBondContact O-N 2.96Å; F53-N57 WeakPolarHBondContact CD1-ND2 3.48Å; F53-N57 WeakPolarHBondContact CE1-ND2 3.41Å; F53-N57 WeakPolarHBondContact CZ-ND2 3.21Å; F53-N57 PolarHBondContact O-N 3.39Å; F53-N57 VanDerWaalsContact O-N 3.16Å; F53-N57 PolarHBondContact O-ND2 3.23Å
54T98.2Very high97.6Very high0 Ų047.2 Ų47.20%021%0.212CC..Hα-helixtrans-64-45.1175.3-52.50000111.6T22 T26 K50 V51 K52 Q56 N57 Y58 L134 M137T22-T54 HydrophobicContact CG2-CG2 3.82Å; T26-T54 WeakPolarHBondContact CG2-OG1 3.29Å; T26-T54 PolarHBondContact OG1-OG1 3.27Å; K50-T54 PolarHBondContact O-N 3.32Å; K50-T54 PolarHBondContact O-OG1 2.61Å; V51-T54 PolarHBondContact O-N 2.98Å; K52-T54 PolarHBondContact O-N 3.44Å; T54-Q56 PolarHBondContact O-N 2.82Å; T54-N57 PolarHBondContact O-N 3.35Å; T54-Y58 HydrophobicContact CG2-CD2 3.85Å; T54-Y58 HydrophobicContact CG2-CE2 3.58Å; T54-Y58 WeakPolarHBondContact O-CD2 3.41Å; T54-Y58 PolarHBondContact O-N 3.39Å; T54-Y58 VanDerWaalsContact O-N 3.1Å; T54-L134 VanDerWaalsContact CB-CD2 3.48Å; T54-L134 HydrophobicContact CG2-CD2 3.57Å; T54-L134 WeakPolarHBondContact OG1-CD2 3.49Å; T54-M137 HydrophobicContact CG2-SD 4.26Å
55Q98.1Very high97.6Very high28 Ų2843.9 Ų43.913%0.13120%0.2CC..Hα-helixtrans-59.9-45.5176.8170.5-95-37.200111.9V51 K52 N57 Y58 H59 I106 D107 S110 M137V51-Q55 PolarHBondContact O-N 3.31Å; K52-Q55 PolarHBondContact O-N 3.42Å; Q55-N57 VanDerWaalsContact C-N 3.32Å; Q55-N57 PolarHBondContact O-N 3.44Å; Q55-Y58 PolarHBondContact O-N 3.27Å; Q55-H59 WeakPolarHBondContact O-CB 3.5Å; Q55-H59 PolarHBondContact O-N 3.03Å; Q55-I106 HydrophobicContact CB-CG2 4.34Å; Q55-I106 HydrophobicContact CG-CG2 4.04Å; Q55-D107 WeakPolarHBondContact CG-OD1 3.5Å; Q55-D107 PolarHBondContact NE2-OD1 3.15Å; Q55-S110 WeakPolarHBondContact CB-OG 3.39Å; Q55-S110 VanDerWaalsContact CG-CB 3.49Å; Q55-M137 HydrophobicContact CB-CE 3.85Å; Q55-M137 HydrophobicContact CB-SD 4.42Å
56Q98.2Very high97.5Very high87 Ų8740.5 Ų40.541%0.40719%0.186SC..Hα-helixtrans-58.3-45.1178.7-168.665.547.100111.5K52 F53 T54 Y58 H59 D60K52-Q56 WeakPolarHBondContact O-CB 3.33Å; K52-Q56 PolarHBondContact O-N 3.49Å; F53-Q56 PolarHBondContact O-N 2.96Å; T54-Q56 PolarHBondContact O-N 2.82Å; Q56-Y58 PolarHBondContact O-N 3.18Å; Q56-H59 PolarHBondContact O-N 3.01Å; Q56-D60 PolarHBondContact NE2-OD1 3.24Å; Q56-D60 WeakPolarHBondContact O-CB 3.38Å; Q56-D60 PolarHBondContact O-N 3.12Å
57N97.9Very high97.3Very high27 Ų2744.4 Ų44.414%0.14421%0.212CC..Hα-helixtrans-63.3-38.8178.2-75.6-75.6000113T22 F53 T54 Q55 R61T22-N57 HydrophobicContact CG2-CB 3.9Å; F53-N57 WeakPolarHBondContact CD1-ND2 3.48Å; F53-N57 WeakPolarHBondContact CE1-ND2 3.41Å; F53-N57 WeakPolarHBondContact CZ-ND2 3.21Å; F53-N57 PolarHBondContact O-N 3.39Å; F53-N57 VanDerWaalsContact O-N 3.16Å; F53-N57 PolarHBondContact O-ND2 3.23Å; T54-N57 PolarHBondContact O-N 3.35Å; Q55-N57 VanDerWaalsContact C-N 3.32Å; Q55-N57 PolarHBondContact O-N 3.44Å; N57-R61 WeakPolarHBondContact O-CB 3.46Å; N57-R61 PolarHBondContact O-N 2.89Å
58Y97.8Very high97Very high0 Ų046.3 Ų46.30%022%0.222CC..Hα-helixtrans-65.9-46.9173.1-80.8-57000111.2F18 T22 T54 Q55 Q56 D60 R61 L62 I106 M137 M141F18-Y58 AromaticContact CD2-CD1 3.91Å; F18-Y58 HydrophobicContact CD2-CD1 3.91Å; F18-Y58 AromaticContact CD2-CE1 3.73Å; F18-Y58 HydrophobicContact CD2-CE1 3.73Å; F18-Y58 AromaticContact CE2-CD1 3.51Å; F18-Y58 HydrophobicContact CE2-CD1 3.51Å; F18-Y58 AromaticContact CE2-CE1 3.85Å; F18-Y58 HydrophobicContact CE2-CE1 3.85Å; F18-Y58 HydrophobicContact CZ-CD1 4.25Å; T22-Y58 HydrophobicContact CG2-CD1 4.19Å; T22-Y58 HydrophobicContact CG2-CD2 3.89Å; T22-Y58 HydrophobicContact CG2-CE1 3.97Å; T22-Y58 HydrophobicContact CG2-CE2 3.7Å; T22-Y58 HydrophobicContact CG2-CG 4.13Å; T54-Y58 HydrophobicContact CG2-CD2 3.85Å; T54-Y58 HydrophobicContact CG2-CE2 3.58Å; T54-Y58 WeakPolarHBondContact O-CD2 3.41Å; T54-Y58 PolarHBondContact O-N 3.39Å; T54-Y58 VanDerWaalsContact O-N 3.1Å; Q55-Y58 PolarHBondContact O-N 3.27Å; Q56-Y58 PolarHBondContact O-N 3.18Å; Y58-D60 PolarHBondContact O-N 2.68Å; Y58-R61 PolarHBondContact O-N 3.09Å; Y58-L62 WeakPolarHBondContact O-CB 3.3Å; Y58-L62 VanDerWaalsContact O-CG 3.25Å; Y58-L62 WeakPolarHBondContact O-CG 3.47Å; Y58-L62 PolarHBondContact O-N 3.06Å; Y58-I106 HydrophobicContact CD2-CD1 4.49Å; Y58-I106 HydrophobicContact CD2-CG2 4.37Å; Y58-I106 HydrophobicContact CG-CD1 4.15Å; Y58-M137 HydrophobicContact CD2-CB 4.39Å; Y58-M137 HydrophobicContact CE2-CB 4.06Å; Y58-M141 HydrophobicContact CD1-CG 3.95Å; Y58-M141 HydrophobicContact CD1-SD 4.16Å; Y58-M141 HydrophobicContact CE1-CG 3.58Å; Y58-M141 HydrophobicContact CE1-SD 4.33Å
59H98.1Very high96.8Very high51 Ų5144.7 Ų44.724%0.23621%0.214CC..Hα-helixtrans-58.8-49179.9179.395.9000111.7Q55 Q56 R61 L62 S63 D107Q55-H59 WeakPolarHBondContact O-CB 3.5Å; Q55-H59 PolarHBondContact O-N 3.03Å; Q56-H59 PolarHBondContact O-N 3.01Å; H59-R61 VanDerWaalsContact C-N 3.34Å; H59-R61 PolarHBondContact O-N 3.35Å; H59-L62 PolarHBondContact O-N 3.07Å; H59-S63 WeakPolarHBondContact O-CB 3.45Å; H59-S63 PolarHBondContact O-N 3.15Å; H59-S63 PolarHBondContact O-OG 3.16Å; H59-D107 IonicContact CE1-OD2 2.74Å; H59-D107 PolarHBondContact CE1-OD2 3.44Å; H59-D107 IonicContact CG-OD1 3.05Å; H59-D107 IonicContact ND1-OD1 3.5Å; H59-D107 PolarHBondContact ND1-OD1 3.3Å; H59-D107 IonicContact ND1-OD2 3.88Å; H59-D107 PolarHBondContact ND1-OD2 3.19Å
60D97.4Very high96.6Very high79 Ų7939.6 Ų39.642%0.42220%0.198SC..Hα-helixtrans-59.9-46.9179.9-66-16.9000110.4Q56 Y58 S63 Q64Q56-D60 PolarHBondContact NE2-OD1 3.24Å; Q56-D60 WeakPolarHBondContact O-CB 3.38Å; Q56-D60 PolarHBondContact O-N 3.12Å; Y58-D60 PolarHBondContact O-N 2.68Å; D60-S63 PolarHBondContact O-N 3.1Å; D60-Q64 WeakPolarHBondContact O-CB 3.46Å; D60-Q64 PolarHBondContact O-N 3.07Å
61R96.5Very high96.2Very high53 Ų5345.4 Ų45.420%0.222%0.223CC..Hα-helixtrans-71.6-39.3-176.7-173.257.4171.7-178.80.1112.8M10 V11 F18 N57 Y58 H59 Q64 I65M10-R61 PolarHBondContact SD-NH1 3.25Å; V11-R61 PolarHBondContact O-NH2 3.28Å; F18-R61 HydrophobicContact CE1-CB 4.49Å; F18-R61 HydrophobicContact CE1-CG 3.82Å; F18-R61 HydrophobicContact CE2-CB 3.85Å; F18-R61 HydrophobicContact CE2-CG 3.73Å; F18-R61 HydrophobicContact CZ-CB 3.5Å; F18-R61 HydrophobicContact CZ-CG 3.23Å; N57-R61 WeakPolarHBondContact O-CB 3.46Å; N57-R61 PolarHBondContact O-N 2.89Å; Y58-R61 PolarHBondContact O-N 3.09Å; H59-R61 VanDerWaalsContact C-N 3.34Å; H59-R61 PolarHBondContact O-N 3.35Å; R61-Q64 PolarHBondContact O-N 2.89Å; R61-I65 WeakPolarHBondContact O-CG1 3.5Å; R61-I65 PolarHBondContact O-N 3.19Å; R61-I65 VanDerWaalsContact O-N 3.14Å
62L97Very high95.8Very high0 Ų045.9 Ų45.90%023%0.225CC..Hα-helixtrans-69.5-38.2175.4-66.6170000111.5F18 Y58 H59 Q64 I65 L66 I99 K103 I106 M141F18-L62 HydrophobicContact CE1-CD2 3.94Å; F18-L62 HydrophobicContact CZ-CD2 4.06Å; F18-L62 HydrophobicContact CZ-CG 4.17Å; Y58-L62 WeakPolarHBondContact O-CB 3.3Å; Y58-L62 VanDerWaalsContact O-CG 3.25Å; Y58-L62 WeakPolarHBondContact O-CG 3.47Å; Y58-L62 PolarHBondContact O-N 3.06Å; H59-L62 PolarHBondContact O-N 3.07Å; L62-Q64 VanDerWaalsContact C-N 3.31Å; L62-I65 PolarHBondContact O-N 2.95Å; L62-L66 WeakPolarHBondContact O-CG 3.46Å; L62-L66 PolarHBondContact O-N 2.93Å; L62-I99 HydrophobicContact CB-CG2 4.27Å; L62-I99 HydrophobicContact CD2-CG2 3.72Å; L62-K103 HydrophobicContact CB-CB 4.15Å; L62-K103 HydrophobicContact CB-CG 4.34Å; L62-K103 HydrophobicContact CD1-CB 4Å; L62-I106 HydrophobicContact CD1-CD1 3.96Å; L62-M141 HydrophobicContact CD1-SD 4.05Å; L62-M141 HydrophobicContact CD2-CE 3.99Å; L62-M141 HydrophobicContact CD2-SD 4.28Å
63S97.6Very high95.4Very high26 Ų2645 Ų4518%0.18223%0.227CC..Hα-helixtrans-62.5-42.8174.8-62.10000111H59 D60 I65 L66 T67 K103H59-S63 WeakPolarHBondContact O-CB 3.45Å; H59-S63 PolarHBondContact O-N 3.15Å; H59-S63 PolarHBondContact O-OG 3.16Å; D60-S63 PolarHBondContact O-N 3.1Å; S63-I65 PolarHBondContact O-N 3.37Å; S63-L66 PolarHBondContact O-N 3.4Å; S63-L66 VanDerWaalsContact O-N 3.13Å; S63-T67 WeakPolarHBondContact O-CG2 3.5Å; S63-T67 PolarHBondContact O-N 3.47Å; S63-T67 PolarHBondContact O-OG1 3.06Å; S63-K103 WeakPolarHBondContact OG-CD 3.42Å
64Q96Very high95Very high67 Ų6748.3 Ų48.331%0.31325%0.247SC..Hα-helixtrans-59-44.5175.4-177.1165.940.600112.6M10 D60 R61 L62 L66 T67 D68M10-Q64 HydrophobicContact SD-CG 4.45Å; M10-Q64 PolarHBondContact SD-NE2 3.29Å; M10-Q64 PolarHBondContact SD-OE1 3.15Å; D60-Q64 WeakPolarHBondContact O-CB 3.46Å; D60-Q64 PolarHBondContact O-N 3.07Å; R61-Q64 PolarHBondContact O-N 2.89Å; L62-Q64 VanDerWaalsContact C-N 3.31Å; Q64-L66 VanDerWaalsContact C-N 3.31Å; Q64-L66 PolarHBondContact O-N 3.13Å; Q64-T67 WeakPolarHBondContact CA-OG1 3.36Å; Q64-T67 PolarHBondContact O-N 2.98Å; Q64-T67 PolarHBondContact O-OG1 3.13Å; Q64-D68 WeakPolarHBondContact CG-OD2 3.5Å; Q64-D68 VanDerWaalsContact O-CB 3.3Å; Q64-D68 WeakPolarHBondContact O-CB 3.38Å; Q64-D68 PolarHBondContact O-N 3.29Å
65I95.9Very high94.6Very high5 Ų549.1 Ų49.13%0.02625%0.251CS..Hα-helixtrans-59.2-44.3174.7-66.3166.5000110.3V12 F18 R61 L62 S63 T67 F69 L148 L151V12-I65 HydrophobicContact CG1-CD1 4.07Å; V12-I65 HydrophobicContact CG2-CD1 4.46Å; V12-I65 HydrophobicContact CG2-CG1 4.28Å; V12-I65 HydrophobicContact CG2-CG2 4.43Å; F18-I65 HydrophobicContact CE1-CD1 4.11Å; R61-I65 WeakPolarHBondContact O-CG1 3.5Å; R61-I65 PolarHBondContact O-N 3.19Å; R61-I65 VanDerWaalsContact O-N 3.14Å; L62-I65 PolarHBondContact O-N 2.95Å; S63-I65 PolarHBondContact O-N 3.37Å; I65-T67 VanDerWaalsContact C-N 3.32Å; I65-T67 PolarHBondContact O-N 3.46Å; I65-F69 HydrophobicContact CG2-CD2 4.05Å; I65-F69 HydrophobicContact CG2-CE2 4Å; I65-F69 WeakPolarHBondContact O-CD2 3.44Å; I65-F69 PolarHBondContact O-N 3.5Å; I65-L148 HydrophobicContact CD1-CD2 4.35Å; I65-L151 HydrophobicContact CG2-CD1 4.3Å
66L95.4Very high94.3Very high35 Ų3549.9 Ų49.918%0.18325%0.254CS..Hα-helixtrans-67.7-29.1-179.7-68.1168.4000113.8L62 S63 Q64 L96 I99 N100 K103L62-L66 WeakPolarHBondContact O-CG 3.46Å; L62-L66 PolarHBondContact O-N 2.93Å; S63-L66 PolarHBondContact O-N 3.4Å; S63-L66 VanDerWaalsContact O-N 3.13Å; Q64-L66 VanDerWaalsContact C-N 3.31Å; Q64-L66 PolarHBondContact O-N 3.13Å; L66-L96 HydrophobicContact CD2-CB 4.29Å; L66-L96 HydrophobicContact CD2-CD2 4.26Å; L66-L96 WeakPolarHBondContact CD2-O 3.4Å; L66-I99 HydrophobicContact CD1-CG2 4.42Å; L66-I99 HydrophobicContact CD2-CB 4.25Å; L66-I99 HydrophobicContact CD2-CG2 4.07Å; L66-I99 HydrophobicContact CG-CG2 4.06Å; L66-N100 HydrophobicContact CD1-CB 3.9Å; L66-N100 HydrophobicContact CD2-CB 4.15Å; L66-K103 HydrophobicContact CD1-CD 4.35Å
67T93.3Very high94.1Very high106 Ų10649 Ų4965%0.6526%0.256SS*.Hα-helixtrans-86.3-33.9-179.952.90000113.2S63 Q64 I65S63-T67 WeakPolarHBondContact O-CG2 3.5Å; S63-T67 PolarHBondContact O-N 3.47Å; S63-T67 PolarHBondContact O-OG1 3.06Å; Q64-T67 WeakPolarHBondContact CA-OG1 3.36Å; Q64-T67 PolarHBondContact O-N 2.98Å; Q64-T67 PolarHBondContact O-OG1 3.13Å; I65-T67 VanDerWaalsContact C-N 3.32Å; I65-T67 PolarHBondContact O-N 3.46Å
68D92.5Very high93.8Very high50 Ų5047.8 Ų47.827%0.26725%0.25SC..Hα-helixtrans-74.6-35.3-175.5-70.4-0.4000111.4I9 M10 Q64I9-D68 HydrophobicContact CB-CB 4.4Å; I9-D68 HydrophobicContact CG1-CB 4.43Å; I9-D68 WeakPolarHBondContact CG1-O 3.2Å; I9-D68 HydrophobicContact CG2-CB 3.97Å; M10-D68 PolarHBondContact N-OD2 3.28Å; Q64-D68 WeakPolarHBondContact CG-OD2 3.5Å; Q64-D68 VanDerWaalsContact O-CB 3.3Å; Q64-D68 WeakPolarHBondContact O-CB 3.38Å; Q64-D68 PolarHBondContact O-N 3.29Å
69F93.5Very high93.6Very high5 Ų548 Ų482%0.02225%0.25CS..SBendtrans-72.6135.6179.6-85.3-99.4000111.8I9 V12 I65 Y92 L96 L151 V154 R155I9-F69 HydrophobicContact CD1-CD1 4.49Å; I9-F69 HydrophobicContact CG2-CD2 3.77Å; I9-F69 HydrophobicContact CG2-CE2 3.54Å; I9-F69 HydrophobicContact CG2-CG 4.48Å; I9-F69 HydrophobicContact CG2-CZ 4.06Å; V12-F69 HydrophobicContact CG2-CE2 3.72Å; V12-F69 HydrophobicContact CG2-CZ 3.99Å; I65-F69 HydrophobicContact CG2-CD2 4.05Å; I65-F69 HydrophobicContact CG2-CE2 4Å; I65-F69 WeakPolarHBondContact O-CD2 3.44Å; I65-F69 PolarHBondContact O-N 3.5Å; F69-Y92 WeakPolarHBondContact CB-OH 3.43Å; F69-Y92 AromaticContact CD1-CE2 3.92Å; F69-Y92 HydrophobicContact CD1-CE2 3.92Å; F69-Y92 WeakPolarHBondContact CD1-OH 3.28Å; F69-Y92 HydrophobicContact CE1-CE2 4.45Å; F69-L96 HydrophobicContact CB-CD1 4.25Å; F69-L96 HydrophobicContact CB-CD2 4.14Å; F69-L96 HydrophobicContact CG-CD2 4.26Å; F69-L151 HydrophobicContact CD1-CD2 4.19Å; F69-L151 HydrophobicContact CE1-CB 4.4Å; F69-L151 HydrophobicContact CE1-CD2 3.83Å; F69-L151 HydrophobicContact CZ-CB 3.96Å; F69-L151 HydrophobicContact CZ-CD2 4.13Å; F69-L151 WeakPolarHBondContact CZ-O 3.31Å; F69-V154 HydrophobicContact CE1-CG1 4.39Å; F69-R155 HydrophobicContact CE1-CB 4.42Å; F69-R155 HydrophobicContact CZ-CB 3.96Å
70P92.4Very high93.3Very high20 Ų2046.2 Ų46.213%0.1325%0.245CC..  trans-68.3134-177.827.5-35.2000111.9F6 L72 I75 M83 Y92 L158F6-P70 HydrophobicContact CD1-CG 4.3Å; F6-P70 HydrophobicContact CE1-CB 4.26Å; F6-P70 HydrophobicContact CE1-CG 4.12Å; P70-L72 PolarHBondContact O-N 3.39Å; P70-I75 HydrophobicContact CB-CD1 4.11Å; P70-M83 HydrophobicContact CG-CE 3.85Å; P70-M83 HydrophobicContact CG-SD 3.99Å; P70-Y92 WeakPolarHBondContact CD-OH 3.35Å; P70-Y92 PolarHBondContact O-OH 3.34Å; P70-L158 HydrophobicContact CG-CD2 4.12Å
71K90.6Very high93.1Very high140 Ų14045.6 Ų45.661%0.60924%0.242SC*.  trans-77.5114.8172.3-65-179.2-178179.40109.8D73 D74 I75K71-D73 PolarHBondContact O-N 2.95Å; K71-D74 HydrophobicContact CB-CB 4.22Å; K71-D74 VanDerWaalsContact CD-OD2 3.31Å; K71-D74 WeakPolarHBondContact CD-OD2 3.17Å; K71-D74 PolarHBondContact O-N 3.16Å; K71-I75 PolarHBondContact O-N 3.31Å; K71-I75 VanDerWaalsContact O-N 3.14Å
72L89.1Confident92.9Very high10 Ų1043.4 Ų43.45%0.05223%0.234CC..THydrogen-bonded Turntrans-62-25-176.7-60.4-176.4000114.3P70 I75 A80 M83 K89 Y92P70-L72 PolarHBondContact O-N 3.39Å; L72-I75 WeakPolarHBondContact O-CG2 3.13Å; L72-A80 WeakPolarHBondContact O-CB 3.29Å; L72-M83 HydrophobicContact CD2-CB 3.63Å; L72-M83 HydrophobicContact CD2-CE 3.54Å; L72-M83 HydrophobicContact CD2-CG 4.07Å; L72-M83 HydrophobicContact CD2-SD 3.32Å; L72-M83 WeakPolarHBondContact CD2-SD 3.29Å; L72-K89 HydrophobicContact CD1-CB 4.22Å; L72-K89 HydrophobicContact CD1-CG 3.9Å; L72-Y92 HydrophobicContact CD1-CD1 3.49Å; L72-Y92 VanDerWaalsContact CD1-CD1 3.49Å; L72-Y92 HydrophobicContact CD1-CE1 4.01Å; L72-Y92 HydrophobicContact CD1-CG 4.07Å; L72-Y92 HydrophobicContact CD2-CE1 4.27Å; L72-Y92 HydrophobicContact CG-CD1 3.83Å; L72-Y92 HydrophobicContact CG-CE1 3.8Å
73D89.2Confident92.6Very high103 Ų10343.5 Ų43.555%0.55123%0.234SC*.THydrogen-bonded Turntrans-84.8-22.6-179.6-56.4-42000112.8K71 K89 K93K71-D73 PolarHBondContact O-N 2.95Å; D73-K89 IonicContact OD1-NZ 3.51Å; D73-K89 PolarHBondContact OD1-NZ 3.17Å; D73-K93 IonicContact OD1-NZ 3.53Å; D73-K93 PolarHBondContact OD1-NZ 2.73Å; D73-K93 WeakPolarHBondContact OD2-CE 3.49Å; D73-K93 IonicContact OD2-NZ 3.1Å; D73-K93 PolarHBondContact OD2-NZ 3.26Å
74D90.3Very high92.4Very high122 Ų12245.7 Ų45.765%0.65224%0.244SC*.THydrogen-bonded Turntrans-99.8-12.5-178.1-64.1-25.9000112.4K71K71-D74 HydrophobicContact CB-CB 4.22Å; K71-D74 VanDerWaalsContact CD-OD2 3.31Å; K71-D74 WeakPolarHBondContact CD-OD2 3.17Å; K71-D74 PolarHBondContact O-N 3.16Å
75I90.8Very high92.2Very high17 Ų1744 Ų449%0.08724%0.238CC..SBendtrans-80161.7-179.8-160166.2000111.2Y4 F6 P70 K71 L72 Y79 A80Y4-I75 HydrophobicContact CD1-CD1 3.94Å; Y4-I75 HydrophobicContact CD1-CG1 3.95Å; Y4-I75 HydrophobicContact CD2-CG1 4.43Å; Y4-I75 HydrophobicContact CE1-CD1 4.14Å; Y4-I75 HydrophobicContact CE1-CG1 3.61Å; Y4-I75 HydrophobicContact CE2-CG1 4.12Å; Y4-I75 HydrophobicContact CG-CD1 4.16Å; Y4-I75 HydrophobicContact CG-CG1 4.35Å; F6-I75 HydrophobicContact CE1-CD1 4Å; F6-I75 HydrophobicContact CZ-CD1 4.03Å; P70-I75 HydrophobicContact CB-CD1 4.11Å; K71-I75 PolarHBondContact O-N 3.31Å; K71-I75 VanDerWaalsContact O-N 3.14Å; L72-I75 WeakPolarHBondContact O-CG2 3.13Å; I75-Y79 HydrophobicContact CD1-CG 4.24Å; I75-A80 HydrophobicContact CG2-CB 3.73Å
76H91.4Very high91.9Very high45 Ų4545.9 Ų45.921%0.20825%0.248CC..  trans-56.4138.6175.4-172.7-82.6000111.4Y4 F78 Y79 A80 P166Y4-H76 HydrophobicContact CE2-CB 3.97Å; Y4-H76 PolarHBondContact OH-N 3.15Å; H76-F78 VanDerWaalsContact C-N 3.28Å; H76-F78 VanDerWaalsContact ND1-CB 3.33Å; H76-F78 WeakPolarHBondContact ND1-CB 3.41Å; H76-F78 PolarHBondContact ND1-N 3.02Å; H76-F78 VanDerWaalsContact ND1-N 3.13Å; H76-F78 PolarHBondContact O-N 3.46Å; H76-F78 VanDerWaalsContact O-N 3.12Å; H76-Y79 PolarHBondContact O-N 3.11Å; H76-A80 PolarHBondContact O-N 3.38Å; H76-P166 HydrophobicContact CB-CG 4.49Å; H76-P166 VanDerWaalsContact CE1-CB 3.47Å; H76-P166 WeakPolarHBondContact CE1-CB 3.35Å
77P92.8Very high91.7Very high69 Ų6945.3 Ų45.345%0.44824%0.243SC..Hα-helixtrans-48.5-43.8-177.7-32.136.3000114.6Y79 A80 D81P77-Y79 VanDerWaalsContact C-N 3.33Å; P77-Y79 PolarHBondContact O-N 3.13Å; P77-A80 PolarHBondContact O-N 3.21Å; P77-A80 VanDerWaalsContact O-N 3.13Å; P77-D81 PolarHBondContact O-N 3.24Å
78F93.1Very high91.7Very high0 Ų044 Ų440%023%0.233CC..Hα-helixtrans-46.9-51.3172.2174.5-114.1000113.8H76 L82 I164 P166 L205 T242 A243 H246 L247H76-F78 VanDerWaalsContact C-N 3.28Å; H76-F78 VanDerWaalsContact ND1-CB 3.33Å; H76-F78 WeakPolarHBondContact ND1-CB 3.41Å; H76-F78 PolarHBondContact ND1-N 3.02Å; H76-F78 VanDerWaalsContact ND1-N 3.13Å; H76-F78 PolarHBondContact O-N 3.46Å; H76-F78 VanDerWaalsContact O-N 3.12Å; F78-L82 HydrophobicContact CE1-CD2 4.42Å; F78-L82 HydrophobicContact CZ-CD2 4.19Å; F78-L82 WeakPolarHBondContact O-CB 3.42Å; F78-L82 PolarHBondContact O-N 3.38Å; F78-I164 HydrophobicContact CE1-CB 4.06Å; F78-I164 HydrophobicContact CE1-CD1 4.16Å; F78-I164 HydrophobicContact CE1-CG2 4.21Å; F78-I164 HydrophobicContact CZ-CD1 3.94Å; F78-P166 HydrophobicContact CB-CB 4.38Å; F78-L205 HydrophobicContact CE2-CD1 4.42Å; F78-L205 HydrophobicContact CZ-CD1 4.1Å; F78-T242 HydrophobicContact CD2-CG2 4.18Å; F78-T242 HydrophobicContact CE2-CG2 4.41Å; F78-A243 HydrophobicContact CE2-CB 4.19Å; F78-H246 HydrophobicContact CB-CB 3.71Å; F78-H246 HydrophobicContact CD2-CB 4.02Å; F78-H246 HydrophobicContact CG-CB 4.32Å; F78-L247 HydrophobicContact CD1-CD2 4.28Å; F78-L247 HydrophobicContact CD2-CD2 4.06Å; F78-L247 HydrophobicContact CD2-CG 4.26Å; F78-L247 HydrophobicContact CE1-CD2 4.31Å; F78-L247 HydrophobicContact CE2-CD1 4.38Å; F78-L247 HydrophobicContact CE2-CD2 4.11Å; F78-L247 HydrophobicContact CE2-CG 4.15Å; F78-L247 HydrophobicContact CG-CD2 4.15Å; F78-L247 HydrophobicContact CZ-CD2 4.22Å
79Y92.3Very high91.7Very high4 Ų445.1 Ų45.12%0.01624%0.235CC..Hα-helixtrans-77.2-32.4-178.7-80.3-65000112.1Y4 F6 I75 H76 P77 L82 M83 I164Y4-Y79 AromaticContact CD2-CD2 3.56Å; Y4-Y79 HydrophobicContact CD2-CD2 3.56Å; Y4-Y79 AromaticContact CD2-CE2 3.6Å; Y4-Y79 HydrophobicContact CD2-CE2 3.6Å; Y4-Y79 AromaticContact CE2-CD2 3.98Å; Y4-Y79 HydrophobicContact CE2-CD2 3.98Å; Y4-Y79 HydrophobicContact CE2-CE2 4.32Å; Y4-Y79 HydrophobicContact CG-CD2 4.38Å; Y4-Y79 HydrophobicContact CG-CE2 4.43Å; F6-Y79 AromaticContact CE2-CD1 3.84Å; F6-Y79 HydrophobicContact CE2-CD1 3.84Å; F6-Y79 AromaticContact CE2-CE1 3.62Å; F6-Y79 HydrophobicContact CE2-CE1 3.62Å; F6-Y79 AromaticContact CZ-CD1 3.79Å; F6-Y79 HydrophobicContact CZ-CD1 3.79Å; F6-Y79 AromaticContact CZ-CE1 3.97Å; F6-Y79 HydrophobicContact CZ-CE1 3.97Å; F6-Y79 HydrophobicContact CZ-CG 4.16Å; I75-Y79 HydrophobicContact CD1-CG 4.24Å; H76-Y79 PolarHBondContact O-N 3.11Å; P77-Y79 VanDerWaalsContact C-N 3.33Å; P77-Y79 PolarHBondContact O-N 3.13Å; Y79-L82 HydrophobicContact CD1-CD2 4.34Å; Y79-M83 VanDerWaalsContact O-CB 3.26Å; Y79-M83 WeakPolarHBondContact O-CB 3.48Å; Y79-M83 WeakPolarHBondContact O-CG 3.43Å; Y79-M83 PolarHBondContact O-N 3.37Å; Y79-I164 WeakPolarHBondContact CE2-O 3.33Å; Y79-I164 PolarHBondContact OH-N 3.3Å; Y79-I164 PolarHBondContact OH-O 2.8Å
80A92.4Very high91.7Very high15 Ų1550 Ų5012%0.12426%0.262CS..Hα-helixtrans-60.9-48175.500000111L72 I75 H76 P77 M83 N84L72-A80 WeakPolarHBondContact O-CB 3.29Å; I75-A80 HydrophobicContact CG2-CB 3.73Å; H76-A80 PolarHBondContact O-N 3.38Å; P77-A80 PolarHBondContact O-N 3.21Å; P77-A80 VanDerWaalsContact O-N 3.13Å; A80-M83 PolarHBondContact O-N 2.98Å; A80-N84 WeakPolarHBondContact O-CB 3.41Å; A80-N84 PolarHBondContact O-N 3.27Å
81D92.9Very high91.8Very high66 Ų6653.4 Ų53.435%0.35328%0.276SS..Hα-helixtrans-73.6-37.6-179.5-69.8-8.4000111.6P77 M83 N84 V85 T242 H246P77-D81 PolarHBondContact O-N 3.24Å; D81-M83 VanDerWaalsContact C-N 3.29Å; D81-M83 PolarHBondContact O-N 3.29Å; D81-N84 WeakPolarHBondContact O-CB 3.42Å; D81-N84 PolarHBondContact O-N 3.12Å; D81-N84 VanDerWaalsContact O-N 3.13Å; D81-V85 WeakPolarHBondContact O-CG2 3.43Å; D81-V85 PolarHBondContact O-N 2.9Å; D81-T242 HydrophobicContact CB-CG2 3.82Å; D81-H246 IonicContact OD2-CD2 2.68Å; D81-H246 IonicContact OD2-CE1 3.11Å; D81-H246 PolarHBondContact OD2-CE1 3.47Å; D81-H246 IonicContact OD2-NE2 3.12Å; D81-H246 PolarHBondContact OD2-NE2 3.15Å
82L92.1Very high92.1Very high7 Ų746.9 Ų46.94%0.03725%0.247CC..Hα-helixtrans-60.7-41.9173.4-178.363000111F78 Y79 V85 L86 L205 Q239 T242F78-L82 HydrophobicContact CE1-CD2 4.42Å; F78-L82 HydrophobicContact CZ-CD2 4.19Å; F78-L82 WeakPolarHBondContact O-CB 3.42Å; F78-L82 PolarHBondContact O-N 3.38Å; Y79-L82 HydrophobicContact CD1-CD2 4.34Å; L82-V85 PolarHBondContact O-N 3.21Å; L82-L86 HydrophobicContact CD1-CD1 4.04Å; L82-L86 HydrophobicContact CD1-CG 4.35Å; L82-L86 HydrophobicContact CG-CD1 3.96Å; L82-L86 WeakPolarHBondContact O-CB 3.41Å; L82-L86 VanDerWaalsContact O-CG 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.4Å; L82-L86 PolarHBondContact O-N 3.12Å; L82-L205 HydrophobicContact CD1-CD1 4.48Å; L82-Q239 HydrophobicContact CD1-CB 4.2Å; L82-Q239 HydrophobicContact CD1-CG 3.82Å; L82-T242 HydrophobicContact CB-CG2 4.24Å
83M91.9Very high92.4Very high1 Ų150 Ų501%0.00526%0.26CS..Hα-helixtrans-70.5-31.9175.7-72.9-174.975.400112.5P70 L72 Y79 A80 D81 L86 Y87 Y92 L158P70-M83 HydrophobicContact CG-CE 3.85Å; P70-M83 HydrophobicContact CG-SD 3.99Å; L72-M83 HydrophobicContact CD2-CB 3.63Å; L72-M83 HydrophobicContact CD2-CE 3.54Å; L72-M83 HydrophobicContact CD2-CG 4.07Å; L72-M83 HydrophobicContact CD2-SD 3.32Å; L72-M83 WeakPolarHBondContact CD2-SD 3.29Å; Y79-M83 VanDerWaalsContact O-CB 3.26Å; Y79-M83 WeakPolarHBondContact O-CB 3.48Å; Y79-M83 WeakPolarHBondContact O-CG 3.43Å; Y79-M83 PolarHBondContact O-N 3.37Å; A80-M83 PolarHBondContact O-N 2.98Å; D81-M83 VanDerWaalsContact C-N 3.29Å; D81-M83 PolarHBondContact O-N 3.29Å; M83-L86 PolarHBondContact O-N 3.49Å; M83-Y87 HydrophobicContact CB-CD2 4Å; M83-Y87 HydrophobicContact CE-CD2 4.03Å; M83-Y87 HydrophobicContact CE-CE2 4.19Å; M83-Y87 HydrophobicContact CG-CD2 4.02Å; M83-Y87 HydrophobicContact CG-CE2 4.06Å; M83-Y87 WeakPolarHBondContact O-CB 3.38Å; M83-Y87 PolarHBondContact O-N 2.8Å; M83-Y92 HydrophobicContact CE-CE2 4.03Å; M83-L158 HydrophobicContact CE-CD1 4.11Å; M83-L158 HydrophobicContact CE-CD2 4.47Å; M83-L158 HydrophobicContact CG-CD1 4.49Å; M83-L158 HydrophobicContact SD-CD1 4.24Å
84N92.8Very high92.7Very high72 Ų7250.4 Ų50.439%0.38526%0.262SS..Hα-helixtrans-61.6-47.7173-173.340.5000110.9A80 D81 D88 K89A80-N84 WeakPolarHBondContact O-CB 3.41Å; A80-N84 PolarHBondContact O-N 3.27Å; D81-N84 WeakPolarHBondContact O-CB 3.42Å; D81-N84 PolarHBondContact O-N 3.12Å; D81-N84 VanDerWaalsContact O-N 3.13Å; N84-D88 WeakPolarHBondContact O-CA 3.47Å; N84-D88 PolarHBondContact O-N 2.98Å; N84-D88 VanDerWaalsContact O-N 3.17Å; N84-K89 HydrophobicContact CB-CB 4.27Å; N84-K89 WeakPolarHBondContact OD1-CB 3.3Å; N84-K89 PolarHBondContact OD1-N 3.39Å
85V91.2Very high93Very high33 Ų3344.7 Ų44.720%0.223%0.232CC..Hα-helixtrans-65-40.4178.1174.30000111.9D81 L82 T235 M238 Q239D81-V85 WeakPolarHBondContact O-CG2 3.43Å; D81-V85 PolarHBondContact O-N 2.9Å; L82-V85 PolarHBondContact O-N 3.21Å; V85-T235 WeakPolarHBondContact CG1-O 3.37Å; V85-M238 HydrophobicContact CG1-CB 3.72Å; V85-M238 HydrophobicContact CG2-CB 4.05Å; V85-Q239 HydrophobicContact CG1-CG 4.31Å
86L90.8Very high93.3Very high43 Ų4345.2 Ų45.223%0.22523%0.234CC..Hα-helixtrans-81.7-36.5-174.2-73.7176.5000114.6L82 M83 L161 Q239L82-L86 HydrophobicContact CD1-CD1 4.04Å; L82-L86 HydrophobicContact CD1-CG 4.35Å; L82-L86 HydrophobicContact CG-CD1 3.96Å; L82-L86 WeakPolarHBondContact O-CB 3.41Å; L82-L86 VanDerWaalsContact O-CG 3.27Å; L82-L86 WeakPolarHBondContact O-CG 3.4Å; L82-L86 PolarHBondContact O-N 3.12Å; M83-L86 PolarHBondContact O-N 3.49Å; L86-L161 HydrophobicContact CD1-CD1 3.98Å; L86-L161 HydrophobicContact CD1-CD2 4.08Å; L86-Q239 HydrophobicContact CD2-CG 4.33Å; L86-Q239 VanDerWaalsContact CD2-NE2 3.3Å
87Y91Very high93.6Very high23 Ų2344.5 Ų44.59%0.0924%0.239CC..Hα-helixtrans-123.9-4.2-164.9-55.1-59.1000114.6M83 Y150 V154 H157 L158M83-Y87 HydrophobicContact CB-CD2 4Å; M83-Y87 HydrophobicContact CE-CD2 4.03Å; M83-Y87 HydrophobicContact CE-CE2 4.19Å; M83-Y87 HydrophobicContact CG-CD2 4.02Å; M83-Y87 HydrophobicContact CG-CE2 4.06Å; M83-Y87 WeakPolarHBondContact O-CB 3.38Å; M83-Y87 PolarHBondContact O-N 2.8Å; Y87-Y150 PolarHBondContact O-OH 3.45Å; Y87-V154 HydrophobicContact CD1-CB 4.33Å; Y87-V154 HydrophobicContact CD1-CG1 3.96Å; Y87-V154 HydrophobicContact CD1-CG2 3.84Å; Y87-V154 HydrophobicContact CD2-CG1 4.25Å; Y87-V154 HydrophobicContact CE1-CB 4.4Å; Y87-V154 HydrophobicContact CE1-CG1 3.99Å; Y87-V154 HydrophobicContact CE1-CG2 4.35Å; Y87-V154 HydrophobicContact CE2-CG1 4.31Å; Y87-V154 HydrophobicContact CG-CG1 4.07Å; Y87-V154 HydrophobicContact CG-CG2 4.31Å; Y87-H157 HydrophobicContact CE1-CB 3.98Å; Y87-H157 AromaticContact CE1-ND1 3.46Å; Y87-H157 WeakPolarHBondContact CE1-ND1 3.47Å; Y87-H157 AromaticContact CZ-ND1 3.44Å; Y87-H157 PolarHBondContact OH-ND1 3.2Å; Y87-L158 HydrophobicContact CE2-CD1 3.97Å; Y87-L158 WeakPolarHBondContact OH-CA 3.4Å; Y87-L158 PolarHBondContact OH-N 3.15Å; Y87-L158 VanDerWaalsContact OH-N 3.13Å
88D92.4Very high93.7Very high80 Ų8045.5 Ų45.543%0.42824%0.238SC..  trans58110.2-166.317713.5000112N84 D90 H91 Y92N84-D88 WeakPolarHBondContact O-CA 3.47Å; N84-D88 PolarHBondContact O-N 2.98Å; N84-D88 VanDerWaalsContact O-N 3.17Å; D88-D90 PolarHBondContact O-N 3.13Å; D88-D90 PolarHBondContact OD1-N 3.43Å; D88-H91 HydrophobicContact CB-CB 4.22Å; D88-H91 PolarHBondContact O-N 3.23Å; D88-Y92 WeakPolarHBondContact O-CB 3.43Å; D88-Y92 PolarHBondContact O-N 3.29Å
89K92.3Very high93.9Very high72 Ų7245.5 Ų45.531%0.31324%0.238SC..Hα-helixtrans-56.6-37-177.9176.4177.3-177.4175.20112.2L72 D73 N84 K93L72-K89 HydrophobicContact CD1-CB 4.22Å; L72-K89 HydrophobicContact CD1-CG 3.9Å; D73-K89 IonicContact OD1-NZ 3.51Å; D73-K89 PolarHBondContact OD1-NZ 3.17Å; N84-K89 HydrophobicContact CB-CB 4.27Å; N84-K89 WeakPolarHBondContact OD1-CB 3.3Å; N84-K89 PolarHBondContact OD1-N 3.39Å; K89-K93 HydrophobicContact CG-CD 4.42Å; K89-K93 WeakPolarHBondContact O-CB 3.39Å; K89-K93 WeakPolarHBondContact O-CG 3.46Å; K89-K93 PolarHBondContact O-N 3.48Å
90D94.1Very high94.2Very high109 Ų10948.4 Ų48.458%0.58325%0.253SS*.Hα-helixtrans-74.4-46.3-174.9-72.4-20.8000110.7D88 Y92 K93 L94D88-D90 PolarHBondContact O-N 3.13Å; D88-D90 PolarHBondContact OD1-N 3.43Å; D90-Y92 VanDerWaalsContact C-N 3.3Å; D90-Y92 PolarHBondContact O-N 3.09Å; D90-K93 PolarHBondContact O-N 3.24Å; D90-L94 WeakPolarHBondContact O-CB 3.31Å; D90-L94 VanDerWaalsContact O-CG 3.22Å; D90-L94 WeakPolarHBondContact O-CG 3.48Å; D90-L94 PolarHBondContact O-N 2.97Å
91H95.2Very high94.5Very high91 Ų9152.2 Ų52.242%0.42127%0.271SS..Hα-helixtrans-60.4-41.6174.7-158.181.5000112D88 L94 A95 Y150D88-H91 HydrophobicContact CB-CB 4.22Å; D88-H91 PolarHBondContact O-N 3.23Å; H91-L94 PolarHBondContact O-N 3.35Å; H91-A95 WeakPolarHBondContact O-CB 3.23Å; H91-A95 PolarHBondContact O-N 3.08Å; H91-Y150 AromaticContact CD2-CD1 3.82Å; H91-Y150 AromaticContact CD2-CD2 3.65Å; H91-Y150 AromaticContact CD2-CE1 3.72Å; H91-Y150 AromaticContact CD2-CE2 3.51Å; H91-Y150 AromaticContact CD2-CG 3.78Å; H91-Y150 AromaticContact CD2-CZ 3.54Å; H91-Y150 AromaticContact NE2-CD2 3.98Å; H91-Y150 AromaticContact NE2-CG 3.92Å
92Y95.6Very high94.7Very high3 Ų349.1 Ų49.11%0.01226%0.255CS..Hα-helixtrans-59.5-49.4176.9-176.4-92.6000112.8F69 P70 L72 M83 D88 D90 A95 L96 Y150 V154F69-Y92 WeakPolarHBondContact CB-OH 3.43Å; F69-Y92 AromaticContact CD1-CE2 3.92Å; F69-Y92 HydrophobicContact CD1-CE2 3.92Å; F69-Y92 WeakPolarHBondContact CD1-OH 3.28Å; F69-Y92 HydrophobicContact CE1-CE2 4.45Å; P70-Y92 WeakPolarHBondContact CD-OH 3.35Å; P70-Y92 PolarHBondContact O-OH 3.34Å; L72-Y92 HydrophobicContact CD1-CD1 3.49Å; L72-Y92 VanDerWaalsContact CD1-CD1 3.49Å; L72-Y92 HydrophobicContact CD1-CE1 4.01Å; L72-Y92 HydrophobicContact CD1-CG 4.07Å; L72-Y92 HydrophobicContact CD2-CE1 4.27Å; L72-Y92 HydrophobicContact CG-CD1 3.83Å; L72-Y92 HydrophobicContact CG-CE1 3.8Å; M83-Y92 HydrophobicContact CE-CE2 4.03Å; D88-Y92 WeakPolarHBondContact O-CB 3.43Å; D88-Y92 PolarHBondContact O-N 3.29Å; D90-Y92 VanDerWaalsContact C-N 3.3Å; D90-Y92 PolarHBondContact O-N 3.09Å; Y92-A95 PolarHBondContact O-N 2.97Å; Y92-L96 HydrophobicContact CD1-CD1 4.03Å; Y92-L96 HydrophobicContact CE1-CD1 3.4Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.4Å; Y92-L96 HydrophobicContact CE1-CG 4.44Å; Y92-L96 PolarHBondContact O-N 2.95Å; Y92-Y150 HydrophobicContact CD2-CE1 4.47Å; Y92-Y150 PolarHBondContact N-OH 2.81Å; Y92-V154 HydrophobicContact CD2-CG1 4.22Å; Y92-V154 HydrophobicContact CE2-CG1 3.98Å
93K95.6Very high95Very high76 Ų7650.5 Ų50.533%0.3326%0.26SS..Hα-helixtrans-66.6-40.1178.7-75.9-172.3-178.3-168.30112.2D73 K89 D90 A95 L96 G97D73-K93 IonicContact OD1-NZ 3.53Å; D73-K93 PolarHBondContact OD1-NZ 2.73Å; D73-K93 WeakPolarHBondContact OD2-CE 3.49Å; D73-K93 IonicContact OD2-NZ 3.1Å; D73-K93 PolarHBondContact OD2-NZ 3.26Å; K89-K93 HydrophobicContact CG-CD 4.42Å; K89-K93 WeakPolarHBondContact O-CB 3.39Å; K89-K93 WeakPolarHBondContact O-CG 3.46Å; K89-K93 PolarHBondContact O-N 3.48Å; D90-K93 PolarHBondContact O-N 3.24Å; K93-A95 VanDerWaalsContact C-N 3.35Å; K93-L96 PolarHBondContact O-N 3.41Å; K93-G97 PolarHBondContact O-N 3.38Å
94L96.2Very high95.3Very high111 Ų11153.9 Ų53.958%0.58128%0.278SS*.Hα-helixtrans-61.8-43176.5-74172.1000111.3D90 H91 G97 Q98D90-L94 WeakPolarHBondContact O-CB 3.31Å; D90-L94 VanDerWaalsContact O-CG 3.22Å; D90-L94 WeakPolarHBondContact O-CG 3.48Å; D90-L94 PolarHBondContact O-N 2.97Å; H91-L94 PolarHBondContact O-N 3.35Å; L94-G97 PolarHBondContact O-N 3.06Å; L94-Q98 VanDerWaalsContact O-CG 3.29Å; L94-Q98 WeakPolarHBondContact O-CG 3.49Å; L94-Q98 PolarHBondContact O-N 2.79Å
95A96.8Very high95.5Very high2 Ų253.4 Ų53.42%0.01728%0.276CS..Hα-helixtrans-60.9-50.5177.400000111.9H91 Y92 K93 G97 Q98 I99 Y150 L151H91-A95 WeakPolarHBondContact O-CB 3.23Å; H91-A95 PolarHBondContact O-N 3.08Å; Y92-A95 PolarHBondContact O-N 2.97Å; K93-A95 VanDerWaalsContact C-N 3.35Å; A95-G97 VanDerWaalsContact C-N 3.33Å; A95-G97 PolarHBondContact O-N 3.4Å; A95-Q98 PolarHBondContact O-N 3.17Å; A95-I99 WeakPolarHBondContact O-CG1 3.05Å; A95-I99 PolarHBondContact O-N 2.86Å; A95-I99 VanDerWaalsContact O-N 3.13Å; A95-Y150 HydrophobicContact CB-CD1 3.81Å; A95-Y150 HydrophobicContact CB-CE1 4.05Å; A95-L151 HydrophobicContact CB-CD1 4.48Å; A95-L151 HydrophobicContact CB-CD2 4.26Å; A95-L151 HydrophobicContact CB-CG 4.19Å
96L96.4Very high95.8Very high27 Ų2751.9 Ų51.914%0.14127%0.266CS..Hα-helixtrans-64.2-37176.4-68.9176.8000112.3L66 F69 Y92 K93 I99 N100 L151L66-L96 HydrophobicContact CD2-CB 4.29Å; L66-L96 HydrophobicContact CD2-CD2 4.26Å; L66-L96 WeakPolarHBondContact CD2-O 3.4Å; F69-L96 HydrophobicContact CB-CD1 4.25Å; F69-L96 HydrophobicContact CB-CD2 4.14Å; F69-L96 HydrophobicContact CG-CD2 4.26Å; Y92-L96 HydrophobicContact CD1-CD1 4.03Å; Y92-L96 HydrophobicContact CE1-CD1 3.4Å; Y92-L96 VanDerWaalsContact CE1-CD1 3.4Å; Y92-L96 HydrophobicContact CE1-CG 4.44Å; Y92-L96 PolarHBondContact O-N 2.95Å; K93-L96 PolarHBondContact O-N 3.41Å; L96-I99 PolarHBondContact O-N 3.14Å; L96-N100 PolarHBondContact O-N 3.16Å; L96-L151 HydrophobicContact CD2-CD1 4Å; L96-L151 HydrophobicContact CD2-CD2 3.91Å; L96-L151 HydrophobicContact CG-CD2 4.21Å
97G96.9Very high96.2Very high30 Ų3050.7 Ų50.731%0.30926%0.26SS..Hα-helixtrans-59.7-45.3174.100000112.4K93 L94 A95 I99 N100 I101K93-G97 PolarHBondContact O-N 3.38Å; L94-G97 PolarHBondContact O-N 3.06Å; A95-G97 VanDerWaalsContact C-N 3.33Å; A95-G97 PolarHBondContact O-N 3.4Å; G97-I99 VanDerWaalsContact C-N 3.34Å; G97-I99 PolarHBondContact O-N 2.9Å; G97-N100 PolarHBondContact O-N 2.8Å; G97-I101 WeakPolarHBondContact O-CG1 3.49Å; G97-I101 PolarHBondContact O-N 3.01Å
98Q96.8Very high96.5Very high91 Ų9153.4 Ų53.443%0.42528%0.276SS..Hα-helixtrans-61.8-39.8175.7-73.2173.70.500112.3L94 A95 I101 A102 S147L94-Q98 VanDerWaalsContact O-CG 3.29Å; L94-Q98 WeakPolarHBondContact O-CG 3.49Å; L94-Q98 PolarHBondContact O-N 2.79Å; A95-Q98 PolarHBondContact O-N 3.17Å; Q98-I101 PolarHBondContact O-N 3.23Å; Q98-A102 WeakPolarHBondContact O-CB 3.32Å; Q98-A102 PolarHBondContact O-N 3.09Å; Q98-S147 PolarHBondContact OE1-OG 2.76Å
99I97.3Very high96.8Very high0 Ų050.6 Ų50.60%026%0.262CS..Hα-helixtrans-63.9-41.5174.8-64-55.5000111.5L62 L66 A95 L96 G97 A102 K103 Q144 L148 L151L62-I99 HydrophobicContact CB-CG2 4.27Å; L62-I99 HydrophobicContact CD2-CG2 3.72Å; L66-I99 HydrophobicContact CD1-CG2 4.42Å; L66-I99 HydrophobicContact CD2-CB 4.25Å; L66-I99 HydrophobicContact CD2-CG2 4.07Å; L66-I99 HydrophobicContact CG-CG2 4.06Å; A95-I99 WeakPolarHBondContact O-CG1 3.05Å; A95-I99 PolarHBondContact O-N 2.86Å; A95-I99 VanDerWaalsContact O-N 3.13Å; L96-I99 PolarHBondContact O-N 3.14Å; G97-I99 VanDerWaalsContact C-N 3.34Å; G97-I99 PolarHBondContact O-N 2.9Å; I99-A102 PolarHBondContact O-N 3.03Å; I99-K103 PolarHBondContact O-N 3.05Å; I99-Q144 HydrophobicContact CD1-CB 4.22Å; I99-Q144 HydrophobicContact CD1-CG 4.36Å; I99-L148 HydrophobicContact CD1-CD2 3.72Å; I99-L148 HydrophobicContact CD1-CG 4.08Å; I99-L151 HydrophobicContact CG1-CD1 3.92Å
100N97.8Very high97.1Very high64 Ų6447.4 Ų47.434%0.34225%0.248SC..Hα-helixtrans-65.1-40.9176.5-171.847.5000112.5L66 L96 G97 K103 N104L66-N100 HydrophobicContact CD1-CB 3.9Å; L66-N100 HydrophobicContact CD2-CB 4.15Å; L96-N100 PolarHBondContact O-N 3.16Å; G97-N100 PolarHBondContact O-N 2.8Å; N100-K103 WeakPolarHBondContact O-CB 3.34Å; N100-K103 PolarHBondContact O-N 2.84Å; N100-K103 WeakPolarHBondContact OD1-CE 3.03Å; N100-K103 PolarHBondContact OD1-NZ 3Å; N100-N104 PolarHBondContact O-N 3.46Å; N100-N104 VanDerWaalsContact O-N 3.16Å; N100-N104 PolarHBondContact O-ND2 3.24Å
101I97.8Very high97.2Very high96 Ų9648.3 Ų48.349%0.49225%0.247SC..Hα-helixtrans-62.9-43.9173.8-66164.7000110.4G97 Q98 K103 N104 L105G97-I101 WeakPolarHBondContact O-CG1 3.49Å; G97-I101 PolarHBondContact O-N 3.01Å; Q98-I101 PolarHBondContact O-N 3.23Å; I101-K103 PolarHBondContact O-N 2.89Å; I101-N104 PolarHBondContact O-N 3.17Å; I101-L105 HydrophobicContact CG2-CD1 3.87Å; I101-L105 HydrophobicContact CG2-CG 4.27Å; I101-L105 WeakPolarHBondContact O-CG 3.14Å; I101-L105 PolarHBondContact O-N 3.24Å
102A97.6Very high97.4Very high1 Ų147.7 Ų47.71%0.00825%0.247CC..Hα-helixtrans-59.8-43.9177.900000112.3Q98 I99 N104 L105 I106 I140 Q144Q98-A102 WeakPolarHBondContact O-CB 3.32Å; Q98-A102 PolarHBondContact O-N 3.09Å; I99-A102 PolarHBondContact O-N 3.03Å; A102-N104 PolarHBondContact O-N 3.42Å; A102-L105 PolarHBondContact O-N 2.97Å; A102-I106 WeakPolarHBondContact O-CG1 3.19Å; A102-I106 PolarHBondContact O-N 3.37Å; A102-I140 HydrophobicContact CB-CG2 3.95Å; A102-Q144 HydrophobicContact CB-CG 4.04Å; A102-Q144 VanDerWaalsContact CB-OE1 3.26Å
103K97.9Very high97.5Very high35 Ų3548 Ų4815%0.15225%0.248CC..Hα-helixtrans-54.2-52.7173.7-177-169.569.6-178.60111.2L62 S63 L66 I99 N100 I101 L105 I106 D107L62-K103 HydrophobicContact CB-CB 4.15Å; L62-K103 HydrophobicContact CB-CG 4.34Å; L62-K103 HydrophobicContact CD1-CB 4Å; S63-K103 WeakPolarHBondContact OG-CD 3.42Å; L66-K103 HydrophobicContact CD1-CD 4.35Å; I99-K103 PolarHBondContact O-N 3.05Å; N100-K103 WeakPolarHBondContact O-CB 3.34Å; N100-K103 PolarHBondContact O-N 2.84Å; N100-K103 WeakPolarHBondContact OD1-CE 3.03Å; N100-K103 PolarHBondContact OD1-NZ 3Å; I101-K103 PolarHBondContact O-N 2.89Å; K103-L105 PolarHBondContact O-N 3.28Å; K103-I106 PolarHBondContact O-N 3.04Å; K103-D107 PolarHBondContact O-N 2.88Å; K103-D107 VanDerWaalsContact O-N 3.1Å
104N98.1Very high97.6Very high72 Ų7245 Ų4539%0.38524%0.236SC..Hα-helixtrans-64.6-38.2-178.1-65.7-19.2000112.3N100 I101 A102 D107 N108N100-N104 PolarHBondContact O-N 3.46Å; N100-N104 VanDerWaalsContact O-N 3.16Å; N100-N104 PolarHBondContact O-ND2 3.24Å; I101-N104 PolarHBondContact O-N 3.17Å; A102-N104 PolarHBondContact O-N 3.42Å; N104-D107 PolarHBondContact O-N 3.45Å; N104-N108 VanDerWaalsContact O-CG 3.29Å; N104-N108 PolarHBondContact O-N 3.01Å; N104-N108 PolarHBondContact O-ND2 3.32Å
105L98.1Very high97.7Very high63 Ų6346.4 Ų46.433%0.3323%0.234SC..Hα-helixtrans-63.9-42.6175.7-74.3171.8000112.1I101 A102 K103 D107 N108 V109 I140I101-L105 HydrophobicContact CG2-CD1 3.87Å; I101-L105 HydrophobicContact CG2-CG 4.27Å; I101-L105 WeakPolarHBondContact O-CG 3.14Å; I101-L105 PolarHBondContact O-N 3.24Å; A102-L105 PolarHBondContact O-N 2.97Å; K103-L105 PolarHBondContact O-N 3.28Å; L105-D107 VanDerWaalsContact C-N 3.33Å; L105-D107 PolarHBondContact O-N 3.24Å; L105-N108 PolarHBondContact O-N 3.49Å; L105-V109 VanDerWaalsContact O-CG2 3.31Å; L105-V109 WeakPolarHBondContact O-CG2 3.47Å; L105-V109 PolarHBondContact O-N 3.17Å; L105-I140 HydrophobicContact CB-CD1 3.88Å
106I97.8Very high97.7Very high0 Ų050.8 Ų50.80%026%0.257CS..Hα-helixtrans-62.8-41.9177.7-71.8168.7000110.9Q55 Y58 L62 A102 K103 N108 V109 S110 M137 I140 M141Q55-I106 HydrophobicContact CB-CG2 4.34Å; Q55-I106 HydrophobicContact CG-CG2 4.04Å; Y58-I106 HydrophobicContact CD2-CD1 4.49Å; Y58-I106 HydrophobicContact CD2-CG2 4.37Å; Y58-I106 HydrophobicContact CG-CD1 4.15Å; L62-I106 HydrophobicContact CD1-CD1 3.96Å; A102-I106 WeakPolarHBondContact O-CG1 3.19Å; A102-I106 PolarHBondContact O-N 3.37Å; K103-I106 PolarHBondContact O-N 3.04Å; I106-N108 VanDerWaalsContact C-N 3.35Å; I106-N108 PolarHBondContact O-N 2.9Å; I106-V109 PolarHBondContact O-N 3.2Å; I106-S110 PolarHBondContact O-N 3.36Å; I106-M137 HydrophobicContact CG2-CG 4.16Å; I106-M137 HydrophobicContact CG2-SD 4.39Å; I106-I140 HydrophobicContact CD1-CG2 4.31Å; I106-I140 HydrophobicContact CG1-CB 4.33Å; I106-I140 HydrophobicContact CG1-CD1 4.04Å; I106-I140 HydrophobicContact CG1-CG2 4.1Å; I106-M141 HydrophobicContact CD1-CG 3.99Å; I106-M141 HydrophobicContact CD1-SD 3.64Å
107D98.1Very high97.6Very high19 Ų1949.5 Ų49.510%0.10225%0.25CC..Hα-helixtrans-62.7-42.3177.3-68.6-15.9000111.6Q55 H59 K103 N104 L105 S110 K111Q55-D107 WeakPolarHBondContact CG-OD1 3.5Å; Q55-D107 PolarHBondContact NE2-OD1 3.15Å; H59-D107 IonicContact CE1-OD2 2.74Å; H59-D107 PolarHBondContact CE1-OD2 3.44Å; H59-D107 IonicContact CG-OD1 3.05Å; H59-D107 IonicContact ND1-OD1 3.5Å; H59-D107 PolarHBondContact ND1-OD1 3.3Å; H59-D107 IonicContact ND1-OD2 3.88Å; H59-D107 PolarHBondContact ND1-OD2 3.19Å; K103-D107 PolarHBondContact O-N 2.88Å; K103-D107 VanDerWaalsContact O-N 3.1Å; N104-D107 PolarHBondContact O-N 3.45Å; L105-D107 VanDerWaalsContact C-N 3.33Å; L105-D107 PolarHBondContact O-N 3.24Å; D107-S110 PolarHBondContact O-N 2.91Å; D107-K111 VanDerWaalsContact O-CG 3.31Å; D107-K111 WeakPolarHBondContact O-CG 3.35Å; D107-K111 PolarHBondContact O-N 2.94Å
108N98.2Very high97.6Very high80 Ų8053.7 Ų53.743%0.42826%0.26SS..Hα-helixtrans-66.5-44.4177-70.3-17.8000112.2N104 L105 I106 S110 K111 D112N104-N108 VanDerWaalsContact O-CG 3.29Å; N104-N108 PolarHBondContact O-N 3.01Å; N104-N108 PolarHBondContact O-ND2 3.32Å; L105-N108 PolarHBondContact O-N 3.49Å; I106-N108 VanDerWaalsContact C-N 3.35Å; I106-N108 PolarHBondContact O-N 2.9Å; N108-S110 VanDerWaalsContact C-N 3.3Å; N108-S110 PolarHBondContact O-N 3.47Å; N108-K111 PolarHBondContact O-N 3.47Å; N108-D112 PolarHBondContact O-N 3.35Å
109V98.1Very high97.5Very high21 Ų2157.9 Ų57.913%0.12727%0.273CS..Hα-helixtrans-56.7-46.1174.3169.60000110.5L105 I106 K111 D112 Y113 R136 M137 I140L105-V109 VanDerWaalsContact O-CG2 3.31Å; L105-V109 WeakPolarHBondContact O-CG2 3.47Å; L105-V109 PolarHBondContact O-N 3.17Å; I106-V109 PolarHBondContact O-N 3.2Å; V109-K111 PolarHBondContact O-N 3.13Å; V109-D112 PolarHBondContact O-N 3.38Å; V109-Y113 HydrophobicContact CG1-CD2 3.77Å; V109-Y113 HydrophobicContact CG1-CE2 3.97Å; V109-Y113 VanDerWaalsContact O-CD2 3.29Å; V109-Y113 WeakPolarHBondContact O-CD2 3.4Å; V109-Y113 PolarHBondContact O-N 3.32Å; V109-R136 HydrophobicContact CG1-CB 4.02Å; V109-M137 HydrophobicContact CG1-CE 4.2Å; V109-M137 HydrophobicContact CG1-CG 4.13Å; V109-I140 HydrophobicContact CG2-CD1 3.98Å
110S98.1Very high97.4Very high4 Ų457.9 Ų57.93%0.02827%0.273CS..Hα-helixtrans-59.3-49177.4-171.30000111.8Q55 I106 D107 N108 D112 Y113 V114Q55-S110 WeakPolarHBondContact CB-OG 3.39Å; Q55-S110 VanDerWaalsContact CG-CB 3.49Å; I106-S110 PolarHBondContact O-N 3.36Å; D107-S110 PolarHBondContact O-N 2.91Å; N108-S110 VanDerWaalsContact C-N 3.3Å; N108-S110 PolarHBondContact O-N 3.47Å; S110-D112 VanDerWaalsContact C-N 3.33Å; S110-D112 PolarHBondContact O-N 3.26Å; S110-Y113 PolarHBondContact O-N 3.32Å; S110-V114 VanDerWaalsContact O-CB 3.28Å; S110-V114 WeakPolarHBondContact O-CB 3.41Å; S110-V114 WeakPolarHBondContact O-CG2 3.31Å; S110-V114 PolarHBondContact O-N 3.39Å
111K98Very high97.2Very high128 Ų12859 Ų5956%0.55728%0.279SS*.Hα-helixtrans-56.4-46.7180-74.4169.4-174.1171.50111.6D107 N108 V109 R115D107-K111 VanDerWaalsContact O-CG 3.31Å; D107-K111 WeakPolarHBondContact O-CG 3.35Å; D107-K111 PolarHBondContact O-N 2.94Å; N108-K111 PolarHBondContact O-N 3.47Å; V109-K111 PolarHBondContact O-N 3.13Å; K111-R115 WeakPolarHBondContact O-CB 3.43Å; K111-R115 PolarHBondContact O-N 2.83Å
112D98Very high97.1Very high78 Ų7856.6 Ų56.642%0.41727%0.27SS..Hα-helixtrans-68.4-45.1-177.8-69.3-24.3000112.4N108 V109 S110 V114 R115 L116N108-D112 PolarHBondContact O-N 3.35Å; V109-D112 PolarHBondContact O-N 3.38Å; S110-D112 VanDerWaalsContact C-N 3.33Å; S110-D112 PolarHBondContact O-N 3.26Å; D112-V114 PolarHBondContact O-N 2.99Å; D112-R115 WeakPolarHBondContact O-CB 3.28Å; D112-R115 PolarHBondContact O-N 3.32Å; D112-R115 IonicContact OD1-CZ 3.97Å; D112-R115 IonicContact OD1-NH1 2.76Å; D112-R115 PolarHBondContact OD1-NH1 3.35Å; D112-L116 WeakPolarHBondContact O-CG 3.47Å; D112-L116 PolarHBondContact O-N 3.21Å
113Y97.9Very high97Very high9 Ų958.4 Ų58.44%0.03528%0.28CS..Hα-helixtrans-68.3-35.9178.5-86.5-83.3000113V109 S110 R115 L116 M117 L129 A132 A133 R136V109-Y113 HydrophobicContact CG1-CD2 3.77Å; V109-Y113 HydrophobicContact CG1-CE2 3.97Å; V109-Y113 VanDerWaalsContact O-CD2 3.29Å; V109-Y113 WeakPolarHBondContact O-CD2 3.4Å; V109-Y113 PolarHBondContact O-N 3.32Å; S110-Y113 PolarHBondContact O-N 3.32Å; Y113-R115 VanDerWaalsContact C-N 3.3Å; Y113-L116 PolarHBondContact O-N 3.36Å; Y113-M117 WeakPolarHBondContact O-CB 3.43Å; Y113-M117 VanDerWaalsContact O-CG 3.27Å; Y113-M117 WeakPolarHBondContact O-CG 3.29Å; Y113-M117 PolarHBondContact O-N 3.47Å; Y113-L129 HydrophobicContact CD1-CB 4.41Å; Y113-L129 HydrophobicContact CD1-CD2 4.19Å; Y113-L129 WeakPolarHBondContact CD1-O 3.22Å; Y113-L129 HydrophobicContact CE1-CD2 4.18Å; Y113-L129 WeakPolarHBondContact CE1-O 3.45Å; Y113-A132 HydrophobicContact CE1-CB 3.74Å; Y113-A132 VanDerWaalsContact OH-CB 3.3Å; Y113-A132 WeakPolarHBondContact OH-CB 3.39Å; Y113-A133 HydrophobicContact CD1-CB 3.76Å; Y113-A133 HydrophobicContact CD2-CB 3.84Å; Y113-A133 HydrophobicContact CE1-CB 4.25Å; Y113-A133 HydrophobicContact CE2-CB 4.31Å; Y113-A133 HydrophobicContact CG-CB 3.5Å; Y113-A133 VanDerWaalsContact CG-CB 3.5Å; Y113-R136 PolarHBondContact OH-NE 2.74Å; Y113-R136 PolarHBondContact OH-NH2 3.22Å
114V97.6Very high96.9Very high14 Ų1464.1 Ų64.19%0.08530%0.301CS..Hα-helixtrans-64.3-38172.9170.90000110.4M48 V51 K52 S110 D112M48-V114 HydrophobicContact CE-CG1 3.52Å; V51-V114 HydrophobicContact CG1-CG2 4.23Å; K52-V114 HydrophobicContact CG-CG2 3.86Å; S110-V114 VanDerWaalsContact O-CB 3.28Å; S110-V114 WeakPolarHBondContact O-CB 3.41Å; S110-V114 WeakPolarHBondContact O-CG2 3.31Å; S110-V114 PolarHBondContact O-N 3.39Å; D112-V114 PolarHBondContact O-N 2.99Å
115R97.8Very high96.8Very high140 Ų14066.5 Ų66.553%0.52831%0.305SS..Hα-helixtrans-64.2-46.5174-168-173.1-65.2119.5-1.6111.3K111 D112 Y113 M117 K118K111-R115 WeakPolarHBondContact O-CB 3.43Å; K111-R115 PolarHBondContact O-N 2.83Å; D112-R115 WeakPolarHBondContact O-CB 3.28Å; D112-R115 PolarHBondContact O-N 3.32Å; D112-R115 IonicContact OD1-CZ 3.97Å; D112-R115 IonicContact OD1-NH1 2.76Å; D112-R115 PolarHBondContact OD1-NH1 3.35Å; Y113-R115 VanDerWaalsContact C-N 3.3Å; R115-M117 PolarHBondContact O-N 3.02Å; R115-K118 WeakPolarHBondContact O-CB 3.5Å; R115-K118 PolarHBondContact O-N 2.94Å
116L96.6Very high96.7Very high95 Ų9563.5 Ų63.550%0.49729%0.289SS..Hα-helixtrans-63.5-38.3178.3-70.7168.2000112.7D112 Y113 K118 Y119 L129D112-L116 WeakPolarHBondContact O-CG 3.47Å; D112-L116 PolarHBondContact O-N 3.21Å; Y113-L116 PolarHBondContact O-N 3.36Å; L116-K118 PolarHBondContact O-N 3.12Å; L116-Y119 PolarHBondContact O-N 3.13Å; L116-Y119 VanDerWaalsContact O-N 3.14Å; L116-L129 HydrophobicContact CB-CD2 4.44Å
117M95.7Very high96.7Very high0 Ų068.3 Ų68.30%031%0.31CS..Hα-helixtrans-64.6-20.7179.2-77.5-175.1-15400114.1M48 V51 Y113 R115 Y119 G120 L129 K130M48-M117 HydrophobicContact CG-CB 3.93Å; M48-M117 HydrophobicContact CG-SD 4.13Å; V51-M117 HydrophobicContact CB-CE 4.37Å; V51-M117 HydrophobicContact CG2-CE 3.45Å; V51-M117 VanDerWaalsContact CG2-CE 3.45Å; V51-M117 HydrophobicContact CG2-SD 4.48Å; Y113-M117 WeakPolarHBondContact O-CB 3.43Å; Y113-M117 VanDerWaalsContact O-CG 3.27Å; Y113-M117 WeakPolarHBondContact O-CG 3.29Å; Y113-M117 PolarHBondContact O-N 3.47Å; R115-M117 PolarHBondContact O-N 3.02Å; M117-Y119 PolarHBondContact O-N 2.77Å; M117-G120 PolarHBondContact O-N 3.07Å; M117-G120 VanDerWaalsContact O-N 3.13Å; M117-L129 HydrophobicContact CE-CB 3.93Å; M117-L129 HydrophobicContact CG-CB 3.96Å; M117-L129 HydrophobicContact CG-CD1 3.9Å; M117-K130 HydrophobicContact CE-CB 3.97Å
118K95.8Very high96.7Very high118 Ų11871.7 Ų71.751%0.51333%0.326SS..THydrogen-bonded Turntrans-59.9-29.2174.2-65.4-175.8178.7-174.70112.1R44 M48 R115 L116R44-K118 PolarHBondContact NE-O 2.97Å; R44-K118 PolarHBondContact NH1-O 3.28Å; M48-K118 HydrophobicContact CE-CG 4.19Å; R115-K118 WeakPolarHBondContact O-CB 3.5Å; R115-K118 PolarHBondContact O-N 2.94Å; L116-K118 PolarHBondContact O-N 3.12Å
119Y95.9Very high96.6Very high178 Ų17869.6 Ų69.670%0.69831%0.314SS*.THydrogen-bonded Turntrans-998.1-179.8-52.1-71.5000113.3L116 M117 D121L116-Y119 PolarHBondContact O-N 3.13Å; L116-Y119 VanDerWaalsContact O-N 3.14Å; M117-Y119 PolarHBondContact O-N 2.77Å; Y119-D121 PolarHBondContact O-N 2.79Å
120G94.3Very high96.6Very high0 Ų070.7 Ų70.70%032%0.317CS..  trans-66.6122.817600000111.4R44 M117R44-G120 PolarHBondContact NE-O 2.92Å; R44-G120 PolarHBondContact NH2-O 3.28Å; M117-G120 PolarHBondContact O-N 3.07Å; M117-G120 VanDerWaalsContact O-N 3.13Å
121D94.1Very high96.6Very high88 Ų8879 Ų7947%0.47135%0.348SS..  trans-90.2-24.4-176.155.2-2.9000113.5I40 Y119 R125I40-D121 WeakPolarHBondContact CD1-O 3.24Å; Y119-D121 PolarHBondContact O-N 2.79Å; D121-R125 WeakPolarHBondContact OD1-CD 3.14Å; D121-R125 IonicContact OD1-CZ 2.77Å; D121-R125 IonicContact OD1-NE 3.19Å; D121-R125 IonicContact OD1-NH1 3.42Å; D121-R125 PolarHBondContact OD1-NH1 3.34Å; D121-R125 IonicContact OD2-CZ 3.9Å; D121-R125 VanDerWaalsContact OD2-CZ 3.26Å; D121-R125 IonicContact OD2-NH1 3.82Å; D121-R125 PolarHBondContact OD2-NH1 2.77Å; D121-R125 IonicContact OD2-NH2 2.86Å
122S94.6Very high96.6Very high45 Ų4574.8 Ų74.832%0.31534%0.337SS..SBendtrans-137.9157.5-171.462.70000112.5Y124 R125 C126S122-Y124 PolarHBondContact O-N 2.98Å; S122-R125 PolarHBondContact O-N 2.97Å; S122-R125 WeakPolarHBondContact OG-CB 3.25Å; S122-R125 PolarHBondContact OG-N 3.37Å; S122-C126 PolarHBondContact O-N 3.31Å; S122-C126 VanDerWaalsContact O-N 3.07Å; S122-C126 PolarHBondContact O-SG 2.91Å; S122-C126 VanDerWaalsContact O-SG 3.42Å
123L95.9Very high96.6Very high39 Ų3971.1 Ų71.120%0.20432%0.317CS..Hα-helixtrans-56.5-38.6172.9-177.4141.9000111.9V34 I43 Y47 K127V34-L123 HydrophobicContact CG1-CD1 4.17Å; V34-L123 HydrophobicContact CG2-CD1 4.29Å; I43-L123 HydrophobicContact CD1-CB 4.33Å; I43-L123 HydrophobicContact CD1-CD1 4.47Å; I43-L123 HydrophobicContact CG2-CB 4.28Å; I43-L123 HydrophobicContact CG2-CG 4.49Å; Y47-L123 HydrophobicContact CE2-CG 4.5Å; L123-K127 VanDerWaalsContact O-CB 3.26Å; L123-K127 WeakPolarHBondContact O-CB 3.46Å; L123-K127 PolarHBondContact O-N 2.85Å
124Y96.5Very high96.6Very high155 Ų15572 Ų7261%0.60832%0.322SS*.Hα-helixtrans-63.9-51.4179.4-178.7-102.8000111.9S122 C126 K127 Q128S122-Y124 PolarHBondContact O-N 2.98Å; Y124-C126 PolarHBondContact O-N 3.21Å; Y124-K127 WeakPolarHBondContact O-CB 3.45Å; Y124-K127 PolarHBondContact O-N 2.82Å; Y124-K127 VanDerWaalsContact O-N 3.16Å; Y124-Q128 HydrophobicContact CD1-CG 4.45Å; Y124-Q128 HydrophobicContact CE1-CG 4.13Å; Y124-Q128 VanDerWaalsContact CE1-NE2 3.27Å; Y124-Q128 HydrophobicContact CE2-CG 4.47Å; Y124-Q128 WeakPolarHBondContact O-CG 3.37Å; Y124-Q128 PolarHBondContact O-N 3.15Å; Y124-Q128 PolarHBondContact OH-NE2 3.14Å
125R95.8Very high96.6Very high122 Ų12272.9 Ų72.946%0.4633%0.334SS..Hα-helixtrans-61-44.1179.1-172.7173.8-75.7160.55.3111.5D121 S122 K127 Q128 L129D121-R125 WeakPolarHBondContact OD1-CD 3.14Å; D121-R125 IonicContact OD1-CZ 2.77Å; D121-R125 IonicContact OD1-NE 3.19Å; D121-R125 IonicContact OD1-NH1 3.42Å; D121-R125 PolarHBondContact OD1-NH1 3.34Å; D121-R125 IonicContact OD2-CZ 3.9Å; D121-R125 VanDerWaalsContact OD2-CZ 3.26Å; D121-R125 IonicContact OD2-NH1 3.82Å; D121-R125 PolarHBondContact OD2-NH1 2.77Å; D121-R125 IonicContact OD2-NH2 2.86Å; S122-R125 PolarHBondContact O-N 2.97Å; S122-R125 WeakPolarHBondContact OG-CB 3.25Å; S122-R125 PolarHBondContact OG-N 3.37Å; R125-K127 PolarHBondContact O-N 2.86Å; R125-Q128 PolarHBondContact O-N 3.25Å; R125-L129 HydrophobicContact CG-CD1 4.5Å; R125-L129 WeakPolarHBondContact O-CG 3.34Å; R125-L129 PolarHBondContact O-N 2.72Å
126C96.4Very high96.6Very high0 Ų073.3 Ų73.30%034%0.336CS..Hα-helixtrans-63.8-38.8175.8-66.20000112.6I43 Y47 S122 Y124 L129 K130I43-C126 HydrophobicContact CG2-CB 4.34Å; Y47-C126 HydrophobicContact CD2-CB 3.41Å; Y47-C126 VanDerWaalsContact CD2-CB 3.41Å; Y47-C126 HydrophobicContact CE2-CB 3.88Å; Y47-C126 HydrophobicContact CG-CB 4.27Å; S122-C126 PolarHBondContact O-N 3.31Å; S122-C126 VanDerWaalsContact O-N 3.07Å; S122-C126 PolarHBondContact O-SG 2.91Å; S122-C126 VanDerWaalsContact O-SG 3.42Å; Y124-C126 PolarHBondContact O-N 3.21Å; C126-L129 PolarHBondContact O-N 3.32Å; C126-K130 WeakPolarHBondContact O-CB 3.39Å; C126-K130 PolarHBondContact O-N 2.87Å
127K97.3Very high96.6Very high101 Ų10168.8 Ų68.844%0.43931%0.312SS..Hα-helixtrans-63.6-41.9175.8-174.6-179-177.8-178.30111.5Y47 L123 Y124 R125 K130 R131Y47-K127 HydrophobicContact CE1-CB 4.49Å; Y47-K127 HydrophobicContact CE2-CB 4.41Å; L123-K127 VanDerWaalsContact O-CB 3.26Å; L123-K127 WeakPolarHBondContact O-CB 3.46Å; L123-K127 PolarHBondContact O-N 2.85Å; Y124-K127 WeakPolarHBondContact O-CB 3.45Å; Y124-K127 PolarHBondContact O-N 2.82Å; Y124-K127 VanDerWaalsContact O-N 3.16Å; R125-K127 PolarHBondContact O-N 2.86Å; K127-K130 PolarHBondContact O-N 3.05Å; K127-R131 WeakPolarHBondContact O-CG 3.47Å; K127-R131 PolarHBondContact O-N 3.49Å
128Q97.1Very high96.7Very high91 Ų9169.5 Ų69.543%0.42532%0.317SS..Hα-helixtrans-64-48.5176.1-72.9-175.4-42.500111.8Y124 R125 K130 R131 A132Y124-Q128 HydrophobicContact CD1-CG 4.45Å; Y124-Q128 HydrophobicContact CE1-CG 4.13Å; Y124-Q128 VanDerWaalsContact CE1-NE2 3.27Å; Y124-Q128 HydrophobicContact CE2-CG 4.47Å; Y124-Q128 WeakPolarHBondContact O-CG 3.37Å; Y124-Q128 PolarHBondContact O-N 3.15Å; Y124-Q128 PolarHBondContact OH-NE2 3.14Å; R125-Q128 PolarHBondContact O-N 3.25Å; Q128-K130 VanDerWaalsContact C-N 3.27Å; Q128-K130 PolarHBondContact O-N 3.17Å; Q128-R131 PolarHBondContact O-N 2.8Å; Q128-R131 VanDerWaalsContact O-N 3.11Å; Q128-A132 WeakPolarHBondContact O-CB 3.46Å; Q128-A132 PolarHBondContact O-N 2.78Å
129L97.6Very high96.8Very high35 Ų3568.2 Ų68.218%0.18332%0.319CS..Hα-helixtrans-57.1-41.7176.3-72.6173.2000111.6Y113 L116 M117 R125 C126 A132 A133Y113-L129 HydrophobicContact CD1-CB 4.41Å; Y113-L129 HydrophobicContact CD1-CD2 4.19Å; Y113-L129 WeakPolarHBondContact CD1-O 3.22Å; Y113-L129 HydrophobicContact CE1-CD2 4.18Å; Y113-L129 WeakPolarHBondContact CE1-O 3.45Å; L116-L129 HydrophobicContact CB-CD2 4.44Å; M117-L129 HydrophobicContact CE-CB 3.93Å; M117-L129 HydrophobicContact CG-CB 3.96Å; M117-L129 HydrophobicContact CG-CD1 3.9Å; R125-L129 HydrophobicContact CG-CD1 4.5Å; R125-L129 WeakPolarHBondContact O-CG 3.34Å; R125-L129 PolarHBondContact O-N 2.72Å; C126-L129 PolarHBondContact O-N 3.32Å; L129-A132 PolarHBondContact O-N 2.57Å; L129-A133 WeakPolarHBondContact O-CB 3.37Å; L129-A133 PolarHBondContact O-N 3.4Å
130K97.6Very high96.8Very high45 Ų4560.7 Ų60.720%0.19629%0.291CS..Hα-helixtrans-64.4-43.1175.9179.3-96.2-58.4-166.10112.5Y47 K50 V51 M117 C126 K127 Q128 A132 A133 L134Y47-K130 HydrophobicContact CD1-CB 3.91Å; Y47-K130 HydrophobicContact CD1-CD 4.26Å; Y47-K130 VanDerWaalsContact CD1-CE 3.48Å; Y47-K130 HydrophobicContact CD1-CG 3.9Å; Y47-K130 VanDerWaalsContact CE1-CE 3.44Å; Y47-K130 HydrophobicContact CG-CB 4.29Å; K50-K130 HydrophobicContact CB-CG 4.35Å; V51-K130 HydrophobicContact CG2-CB 4.36Å; V51-K130 HydrophobicContact CG2-CG 4.05Å; M117-K130 HydrophobicContact CE-CB 3.97Å; C126-K130 WeakPolarHBondContact O-CB 3.39Å; C126-K130 PolarHBondContact O-N 2.87Å; K127-K130 PolarHBondContact O-N 3.05Å; Q128-K130 VanDerWaalsContact C-N 3.27Å; Q128-K130 PolarHBondContact O-N 3.17Å; K130-A132 VanDerWaalsContact C-N 3.34Å; K130-A133 PolarHBondContact O-N 2.74Å; K130-L134 HydrophobicContact CD-CD1 3.78Å; K130-L134 HydrophobicContact CD-CG 4.5Å; K130-L134 HydrophobicContact CG-CD1 4.33Å; K130-L134 WeakPolarHBondContact O-CG 3.47Å; K130-L134 PolarHBondContact O-N 3.43Å; K130-L134 VanDerWaalsContact O-N 3.1Å
131R97.6Very high96.9Very high178 Ų17860.7 Ų60.767%0.67229%0.291SS*.Hα-helixtrans-62.2-43.5176-74.4179.272.3-173.74111.4K127 Q128 G135K127-R131 WeakPolarHBondContact O-CG 3.47Å; K127-R131 PolarHBondContact O-N 3.49Å; Q128-R131 PolarHBondContact O-N 2.8Å; Q128-R131 VanDerWaalsContact O-N 3.11Å; R131-G135 PolarHBondContact O-N 3.4Å
132A97.9Very high97Very high40 Ų4063.1 Ų63.133%0.33130%0.297SS..Hα-helixtrans-66-41.7179.700000111.9Y113 Q128 L129 K130 G135 R136Y113-A132 HydrophobicContact CE1-CB 3.74Å; Y113-A132 VanDerWaalsContact OH-CB 3.3Å; Y113-A132 WeakPolarHBondContact OH-CB 3.39Å; Q128-A132 WeakPolarHBondContact O-CB 3.46Å; Q128-A132 PolarHBondContact O-N 2.78Å; L129-A132 PolarHBondContact O-N 2.57Å; K130-A132 VanDerWaalsContact C-N 3.34Å; A132-G135 PolarHBondContact O-N 3.46Å; A132-R136 WeakPolarHBondContact O-CG 3.35Å; A132-R136 PolarHBondContact O-N 3.38Å
133A97.9Very high97.1Very high0 Ų069.1 Ų69.10%031%0.313CS..Hα-helixtrans-59.5-54.2175.400000112.2V51 Y113 L129 K130 G135 R136 M137V51-A133 HydrophobicContact CG1-CB 3.98Å; V51-A133 HydrophobicContact CG2-CB 3.74Å; Y113-A133 HydrophobicContact CD1-CB 3.76Å; Y113-A133 HydrophobicContact CD2-CB 3.84Å; Y113-A133 HydrophobicContact CE1-CB 4.25Å; Y113-A133 HydrophobicContact CE2-CB 4.31Å; Y113-A133 HydrophobicContact CG-CB 3.5Å; Y113-A133 VanDerWaalsContact CG-CB 3.5Å; L129-A133 WeakPolarHBondContact O-CB 3.37Å; L129-A133 PolarHBondContact O-N 3.4Å; K130-A133 PolarHBondContact O-N 2.74Å; A133-G135 VanDerWaalsContact C-N 3.31Å; A133-G135 PolarHBondContact O-N 3.03Å; A133-R136 PolarHBondContact O-N 3.19Å; A133-M137 WeakPolarHBondContact O-CG 3.42Å; A133-M137 PolarHBondContact O-N 3.24Å; A133-M137 VanDerWaalsContact O-N 3.07Å
134L97.9Very high97.1Very high27 Ų2767.7 Ų67.714%0.14131%0.305CS..Hα-helixtrans-63-39.2179.3-63.2-178.5000111.5L23 T54 K130 M137 C138L23-L134 HydrophobicContact CD2-CD1 4.49Å; T54-L134 VanDerWaalsContact CB-CD2 3.48Å; T54-L134 HydrophobicContact CG2-CD2 3.57Å; T54-L134 WeakPolarHBondContact OG1-CD2 3.49Å; K130-L134 HydrophobicContact CD-CD1 3.78Å; K130-L134 HydrophobicContact CD-CG 4.5Å; K130-L134 HydrophobicContact CG-CD1 4.33Å; K130-L134 WeakPolarHBondContact O-CG 3.47Å; K130-L134 PolarHBondContact O-N 3.43Å; K130-L134 VanDerWaalsContact O-N 3.1Å; L134-M137 HydrophobicContact CD2-SD 4.43Å; L134-M137 PolarHBondContact O-N 2.99Å; L134-C138 PolarHBondContact O-N 2.96Å; L134-C138 PolarHBondContact O-SG 3.05Å
135G97.6Very high97.2Very high33 Ų3366.1 Ų66.134%0.3430%0.302SS..Hα-helixtrans-58.9-49.8174.900000112.2R131 A132 A133 M137 C138 T139R131-G135 PolarHBondContact O-N 3.4Å; A132-G135 PolarHBondContact O-N 3.46Å; A133-G135 VanDerWaalsContact C-N 3.31Å; A133-G135 PolarHBondContact O-N 3.03Å; G135-M137 VanDerWaalsContact C-N 3.35Å; G135-M137 PolarHBondContact O-N 3.28Å; G135-C138 PolarHBondContact O-N 3.46Å; G135-T139 PolarHBondContact O-N 3.29Å; G135-T139 PolarHBondContact O-OG1 3.27Å; G135-T139 VanDerWaalsContact O-OG1 3.04Å
136R97.6Very high97.2Very high150 Ų15068 Ų6857%0.56632%0.316SS*.Hα-helixtrans-61-41.2177.4-71-163.3-157.2175.67.1112.4V109 Y113 A132 A133 T139 I140V109-R136 HydrophobicContact CG1-CB 4.02Å; Y113-R136 PolarHBondContact OH-NE 2.74Å; Y113-R136 PolarHBondContact OH-NH2 3.22Å; A132-R136 WeakPolarHBondContact O-CG 3.35Å; A132-R136 PolarHBondContact O-N 3.38Å; A133-R136 PolarHBondContact O-N 3.19Å; R136-T139 PolarHBondContact O-N 3.27Å; R136-I140 WeakPolarHBondContact O-CG1 3.33Å; R136-I140 PolarHBondContact O-N 3.4Å
137M97.9Very high97.2Very high0 Ų068.3 Ų68.30%032%0.318CS..Hα-helixtrans-61-44.6175.2-66.3173.4-179.400111.7V51 T54 Q55 Y58 I106 V109 A133 L134 G135 T139 I140 M141V51-M137 HydrophobicContact CG1-CE 3.88Å; T54-M137 HydrophobicContact CG2-SD 4.26Å; Q55-M137 HydrophobicContact CB-CE 3.85Å; Q55-M137 HydrophobicContact CB-SD 4.42Å; Y58-M137 HydrophobicContact CD2-CB 4.39Å; Y58-M137 HydrophobicContact CE2-CB 4.06Å; I106-M137 HydrophobicContact CG2-CG 4.16Å; I106-M137 HydrophobicContact CG2-SD 4.39Å; V109-M137 HydrophobicContact CG1-CE 4.2Å; V109-M137 HydrophobicContact CG1-CG 4.13Å; A133-M137 WeakPolarHBondContact O-CG 3.42Å; A133-M137 PolarHBondContact O-N 3.24Å; A133-M137 VanDerWaalsContact O-N 3.07Å; L134-M137 HydrophobicContact CD2-SD 4.43Å; L134-M137 PolarHBondContact O-N 2.99Å; G135-M137 VanDerWaalsContact C-N 3.35Å; G135-M137 PolarHBondContact O-N 3.28Å; M137-T139 PolarHBondContact O-N 2.86Å; M137-I140 PolarHBondContact O-N 3.39Å; M137-M141 PolarHBondContact O-N 3.16Å; M137-M141 VanDerWaalsContact O-N 3.17Å
138C97.4Very high97.2Very high14 Ų1463.6 Ų63.610%0.09530%0.297CS..Hα-helixtrans-65.3-38.4177-62.70000111.8I19 L134 G135 M141 K142I19-C138 HydrophobicContact CD1-CB 4.18Å; I19-C138 HydrophobicContact CG1-CB 4.38Å; I19-C138 HydrophobicContact CG2-CB 4.29Å; L134-C138 PolarHBondContact O-N 2.96Å; L134-C138 PolarHBondContact O-SG 3.05Å; G135-C138 PolarHBondContact O-N 3.46Å; C138-M141 PolarHBondContact O-N 3.26Å; C138-K142 WeakPolarHBondContact O-CG 3.44Å; C138-K142 PolarHBondContact O-N 2.91Å
139T97.7Very high97.1Very high92 Ų9264 Ų6456%0.56430%0.299SS*.Hα-helixtrans-64-40176.6-58.40000112G135 R136 M137 K142 R143G135-T139 PolarHBondContact O-N 3.29Å; G135-T139 PolarHBondContact O-OG1 3.27Å; G135-T139 VanDerWaalsContact O-OG1 3.04Å; R136-T139 PolarHBondContact O-N 3.27Å; M137-T139 PolarHBondContact O-N 2.86Å; T139-K142 PolarHBondContact O-N 3.16Å; T139-R143 PolarHBondContact O-N 3.25Å
140I97.1Very high97.1Very high20 Ų2064 Ų6410%0.10330%0.297CS..Hα-helixtrans-55.9-56.3172.8-67.9161.9000108.5A102 L105 I106 V109 R136 M137 K142 R143 Q144A102-I140 HydrophobicContact CB-CG2 3.95Å; L105-I140 HydrophobicContact CB-CD1 3.88Å; I106-I140 HydrophobicContact CD1-CG2 4.31Å; I106-I140 HydrophobicContact CG1-CB 4.33Å; I106-I140 HydrophobicContact CG1-CD1 4.04Å; I106-I140 HydrophobicContact CG1-CG2 4.1Å; V109-I140 HydrophobicContact CG2-CD1 3.98Å; R136-I140 WeakPolarHBondContact O-CG1 3.33Å; R136-I140 PolarHBondContact O-N 3.4Å; M137-I140 PolarHBondContact O-N 3.39Å; I140-K142 VanDerWaalsContact C-N 3.34Å; I140-K142 PolarHBondContact O-N 2.96Å; I140-R143 VanDerWaalsContact O-CB 3.26Å; I140-R143 WeakPolarHBondContact O-CB 3.37Å; I140-R143 PolarHBondContact O-N 3.37Å; I140-Q144 PolarHBondContact O-NE2 3Å; I140-Q144 PolarHBondContact O-OE1 3.23Å
141M96.1Very high97.1Very high0 Ų061.8 Ų61.80%029%0.288CS..Hα-helixtrans-59.3-38.1-178.5-68.6-54.6-57.200114.1F18 I19 Y58 L62 I106 M137 C138 R143 Q144 L148F18-M141 HydrophobicContact CD1-CE 3.69Å; F18-M141 HydrophobicContact CD2-CE 4.45Å; F18-M141 HydrophobicContact CE1-CE 3.78Å; F18-M141 HydrophobicContact CG-CE 4.04Å; F18-M141 HydrophobicContact CZ-CE 4.2Å; I19-M141 HydrophobicContact CD1-CB 4.18Å; I19-M141 HydrophobicContact CG1-CB 4.07Å; Y58-M141 HydrophobicContact CD1-CG 3.95Å; Y58-M141 HydrophobicContact CD1-SD 4.16Å; Y58-M141 HydrophobicContact CE1-CG 3.58Å; Y58-M141 HydrophobicContact CE1-SD 4.33Å; L62-M141 HydrophobicContact CD1-SD 4.05Å; L62-M141 HydrophobicContact CD2-CE 3.99Å; L62-M141 HydrophobicContact CD2-SD 4.28Å; I106-M141 HydrophobicContact CD1-CG 3.99Å; I106-M141 HydrophobicContact CD1-SD 3.64Å; M137-M141 PolarHBondContact O-N 3.16Å; M137-M141 VanDerWaalsContact O-N 3.17Å; C138-M141 PolarHBondContact O-N 3.26Å; M141-R143 PolarHBondContact O-N 3.34Å; M141-Q144 PolarHBondContact O-N 3.33Å; M141-L148 HydrophobicContact CE-CD1 4.07Å
142K96Very high97Very high139 Ų13954.6 Ų54.660%0.60426%0.261SS*.Hα-helixtrans-60.5-32.6175.3-75.8-177.3-178.5-1740112.4I19 C138 T139 I140 Q144 K145I19-K142 HydrophobicContact CD1-CD 4.4Å; I19-K142 HydrophobicContact CD1-CG 3.55Å; C138-K142 WeakPolarHBondContact O-CG 3.44Å; C138-K142 PolarHBondContact O-N 2.91Å; T139-K142 PolarHBondContact O-N 3.16Å; I140-K142 VanDerWaalsContact C-N 3.34Å; I140-K142 PolarHBondContact O-N 2.96Å; K142-Q144 VanDerWaalsContact C-N 3.31Å; K142-Q144 PolarHBondContact O-N 3.41Å; K142-K145 PolarHBondContact O-N 3.47Å
143R96.8Very high96.8Very high170 Ų17058.2 Ų58.264%0.64227%0.272SS*.Hα-helixtrans-69.6-25.7178.8-171.9179.466-172.81.3112.6T139 I140 M141 K145T139-R143 PolarHBondContact O-N 3.25Å; I140-R143 VanDerWaalsContact O-CB 3.26Å; I140-R143 WeakPolarHBondContact O-CB 3.37Å; I140-R143 PolarHBondContact O-N 3.37Å; M141-R143 PolarHBondContact O-N 3.34Å; R143-K145 VanDerWaalsContact C-N 3.28Å; R143-K145 PolarHBondContact O-N 3.46Å
144Q96.4Very high96.7Very high9 Ų958.5 Ų58.54%0.04227%0.273CS..THydrogen-bonded Turntrans-90.428.2177-6778.560.800113.1I99 A102 I140 M141 K142 L148I99-Q144 HydrophobicContact CD1-CB 4.22Å; I99-Q144 HydrophobicContact CD1-CG 4.36Å; A102-Q144 HydrophobicContact CB-CG 4.04Å; A102-Q144 VanDerWaalsContact CB-OE1 3.26Å; I140-Q144 PolarHBondContact O-NE2 3Å; I140-Q144 PolarHBondContact O-OE1 3.23Å; M141-Q144 PolarHBondContact O-N 3.33Å; K142-Q144 VanDerWaalsContact C-N 3.31Å; K142-Q144 PolarHBondContact O-N 3.41Å; Q144-L148 WeakPolarHBondContact O-CG 3.31Å; Q144-L148 PolarHBondContact O-N 2.97Å
145K96.7Very high96.6Very high122 Ų12259 Ų5953%0.5327%0.273SS..Hα-helixtrans-57.5-52.3-179.1-177.9-174171.5-1680112.2K142 R143 L148 E149K142-K145 PolarHBondContact O-N 3.47Å; R143-K145 VanDerWaalsContact C-N 3.28Å; R143-K145 PolarHBondContact O-N 3.46Å; K145-L148 PolarHBondContact O-N 3.32Å; K145-E149 PolarHBondContact O-N 3.45Å; K145-E149 VanDerWaalsContact O-N 3.16Å
146Q96.2Very high96.4Very high163 Ų16361.6 Ų61.676%0.76228%0.276SS*.Hα-helixtrans-63.8-43.6-174.8-70173.5-11.200112L148 E149 Y150Q146-L148 PolarHBondContact O-N 3.18Å; Q146-E149 PolarHBondContact O-N 2.8Å; Q146-Y150 WeakPolarHBondContact O-CB 3.44Å; Q146-Y150 PolarHBondContact O-N 3.19Å
147S96.8Very high96.2Very high6 Ų658.2 Ų58.24%0.04227%0.267CS..Hα-helixtrans-65.6-39.1-178.8-15.30000112.3Q98 L151Q98-S147 PolarHBondContact OE1-OG 2.76Å; S147-L151 WeakPolarHBondContact O-CB 3.23Å; S147-L151 WeakPolarHBondContact O-CG 3.43Å; S147-L151 PolarHBondContact O-N 2.7Å
148L96.6Very high95.8Very high1 Ų158.2 Ų58.21%0.00527%0.267CS..Hα-helixtrans-68.1-39.9176.6-72172.1000112V12 F18 I65 I99 M141 Q144 K145 Q146 L151 E152V12-L148 HydrophobicContact CG1-CB 4.3Å; V12-L148 HydrophobicContact CG1-CD2 3.56Å; F18-L148 HydrophobicContact CD1-CD1 4.37Å; I65-L148 HydrophobicContact CD1-CD2 4.35Å; I99-L148 HydrophobicContact CD1-CD2 3.72Å; I99-L148 HydrophobicContact CD1-CG 4.08Å; M141-L148 HydrophobicContact CE-CD1 4.07Å; Q144-L148 WeakPolarHBondContact O-CG 3.31Å; Q144-L148 PolarHBondContact O-N 2.97Å; K145-L148 PolarHBondContact O-N 3.32Å; Q146-L148 PolarHBondContact O-N 3.18Å; L148-L151 PolarHBondContact O-N 2.87Å; L148-E152 PolarHBondContact O-N 2.97Å
149E96.7Very high95.5Very high99 Ų9959.1 Ų59.146%0.46327%0.274SS..Hα-helixtrans-64.8-46.2176.9-176.1169.4-171.800111.4K145 Q146 E152 Q153K145-E149 PolarHBondContact O-N 3.45Å; K145-E149 VanDerWaalsContact O-N 3.16Å; Q146-E149 PolarHBondContact O-N 2.8Å; E149-E152 PolarHBondContact O-N 2.92Å; E149-Q153 WeakPolarHBondContact O-CG 3.38Å; E149-Q153 PolarHBondContact O-N 3.18Å; E149-Q153 VanDerWaalsContact O-N 3.09Å
150Y97Very high95.1Very high35 Ų3564.5 Ų64.514%0.13728%0.284CS..Hα-helixtrans-59.9-48.6173.8167-98.6000112Y87 H91 Y92 A95 Q146 E152 Q153 V154Y87-Y150 PolarHBondContact O-OH 3.45Å; H91-Y150 AromaticContact CD2-CD1 3.82Å; H91-Y150 AromaticContact CD2-CD2 3.65Å; H91-Y150 AromaticContact CD2-CE1 3.72Å; H91-Y150 AromaticContact CD2-CE2 3.51Å; H91-Y150 AromaticContact CD2-CG 3.78Å; H91-Y150 AromaticContact CD2-CZ 3.54Å; H91-Y150 AromaticContact NE2-CD2 3.98Å; H91-Y150 AromaticContact NE2-CG 3.92Å; Y92-Y150 HydrophobicContact CD2-CE1 4.47Å; Y92-Y150 PolarHBondContact N-OH 2.81Å; A95-Y150 HydrophobicContact CB-CD1 3.81Å; A95-Y150 HydrophobicContact CB-CE1 4.05Å; Q146-Y150 WeakPolarHBondContact O-CB 3.44Å; Q146-Y150 PolarHBondContact O-N 3.19Å; Y150-E152 VanDerWaalsContact C-N 3.27Å; Y150-E152 PolarHBondContact O-N 3.3Å; Y150-Q153 WeakPolarHBondContact O-CB 3.37Å; Y150-Q153 PolarHBondContact O-N 3.5Å; Y150-Q153 VanDerWaalsContact O-N 3.14Å; Y150-V154 HydrophobicContact CD1-CG2 4.25Å; Y150-V154 HydrophobicContact CD2-CG2 4.07Å; Y150-V154 HydrophobicContact CE1-CG2 3.75Å; Y150-V154 HydrophobicContact CE2-CG2 3.59Å; Y150-V154 HydrophobicContact CG-CG2 4.39Å; Y150-V154 VanDerWaalsContact CZ-CG2 3.41Å; Y150-V154 WeakPolarHBondContact O-CG2 3.36Å; Y150-V154 PolarHBondContact O-N 2.85Å
151L96.4Very high94.7Very high0 Ų064.5 Ų64.50%028%0.284CS..Hα-helixtrans-62-34.8179.7-74.3173.3000112.4I65 F69 A95 L96 I99 S147 L148 R155I65-L151 HydrophobicContact CG2-CD1 4.3Å; F69-L151 HydrophobicContact CD1-CD2 4.19Å; F69-L151 HydrophobicContact CE1-CB 4.4Å; F69-L151 HydrophobicContact CE1-CD2 3.83Å; F69-L151 HydrophobicContact CZ-CB 3.96Å; F69-L151 HydrophobicContact CZ-CD2 4.13Å; F69-L151 WeakPolarHBondContact CZ-O 3.31Å; A95-L151 HydrophobicContact CB-CD1 4.48Å; A95-L151 HydrophobicContact CB-CD2 4.26Å; A95-L151 HydrophobicContact CB-CG 4.19Å; L96-L151 HydrophobicContact CD2-CD1 4Å; L96-L151 HydrophobicContact CD2-CD2 3.91Å; L96-L151 HydrophobicContact CG-CD2 4.21Å; I99-L151 HydrophobicContact CG1-CD1 3.92Å; S147-L151 WeakPolarHBondContact O-CB 3.23Å; S147-L151 WeakPolarHBondContact O-CG 3.43Å; S147-L151 PolarHBondContact O-N 2.7Å; L148-L151 PolarHBondContact O-N 2.87Å; L151-R155 WeakPolarHBondContact O-CB 3.38Å; L151-R155 PolarHBondContact O-N 3.2Å
152E95.6Very high94.4Very high26 Ų2666.4 Ų66.412%0.12130%0.296CS..Hα-helixtrans-67.8-41.2174.7-178.851.7-155.700112V12 L148 E149 Y150 R155 Q156V12-E152 HydrophobicContact CB-CB 4.11Å; V12-E152 PolarHBondContact N-OE2 3.05Å; L148-E152 PolarHBondContact O-N 2.97Å; E149-E152 PolarHBondContact O-N 2.92Å; Y150-E152 VanDerWaalsContact C-N 3.27Å; Y150-E152 PolarHBondContact O-N 3.3Å; E152-R155 PolarHBondContact O-N 2.86Å; E152-R155 IonicContact OE1-CZ 2.72Å; E152-R155 IonicContact OE1-NE 3.8Å; E152-R155 PolarHBondContact OE1-NE 3.3Å; E152-R155 IonicContact OE1-NH2 3.81Å; E152-R155 PolarHBondContact OE1-NH2 3.45Å; E152-R155 IonicContact OE2-CZ 2.64Å; E152-R155 IonicContact OE2-NE 2.78Å; E152-R155 PolarHBondContact OE2-NE 2.79Å; E152-R155 IonicContact OE2-NH2 3.45Å; E152-Q156 WeakPolarHBondContact O-CG 3.19Å; E152-Q156 PolarHBondContact O-N 2.96Å; E152-Q156 WeakPolarHBondContact OE1-CG 3.47Å; E152-Q156 PolarHBondContact OE1-NE2 3.46Å
153Q95.6Very high94.2Very high117 Ų11762.8 Ų62.855%0.54729%0.286SS..Hα-helixtrans-61.4-46.4173.9-69175.57.800111.4E149 Y150 R155 Q156 H157E149-Q153 WeakPolarHBondContact O-CG 3.38Å; E149-Q153 PolarHBondContact O-N 3.18Å; E149-Q153 VanDerWaalsContact O-N 3.09Å; Y150-Q153 WeakPolarHBondContact O-CB 3.37Å; Y150-Q153 PolarHBondContact O-N 3.5Å; Y150-Q153 VanDerWaalsContact O-N 3.14Å; Q153-R155 VanDerWaalsContact C-N 3.34Å; Q153-R155 PolarHBondContact O-N 2.7Å; Q153-Q156 PolarHBondContact O-N 3.1Å; Q153-H157 PolarHBondContact O-N 3.41Å
154V95.2Very high93.9Very high5 Ų555 Ų553%0.0326%0.257CS..Hα-helixtrans-59.1-45.9176.2173.50000110.6F69 Y87 Y92 Y150 Q156 H157 L158F69-V154 HydrophobicContact CE1-CG1 4.39Å; Y87-V154 HydrophobicContact CD1-CB 4.33Å; Y87-V154 HydrophobicContact CD1-CG1 3.96Å; Y87-V154 HydrophobicContact CD1-CG2 3.84Å; Y87-V154 HydrophobicContact CD2-CG1 4.25Å; Y87-V154 HydrophobicContact CE1-CB 4.4Å; Y87-V154 HydrophobicContact CE1-CG1 3.99Å; Y87-V154 HydrophobicContact CE1-CG2 4.35Å; Y87-V154 HydrophobicContact CE2-CG1 4.31Å; Y87-V154 HydrophobicContact CG-CG1 4.07Å; Y87-V154 HydrophobicContact CG-CG2 4.31Å; Y92-V154 HydrophobicContact CD2-CG1 4.22Å; Y92-V154 HydrophobicContact CE2-CG1 3.98Å; Y150-V154 HydrophobicContact CD1-CG2 4.25Å; Y150-V154 HydrophobicContact CD2-CG2 4.07Å; Y150-V154 HydrophobicContact CE1-CG2 3.75Å; Y150-V154 HydrophobicContact CE2-CG2 3.59Å; Y150-V154 HydrophobicContact CG-CG2 4.39Å; Y150-V154 VanDerWaalsContact CZ-CG2 3.41Å; Y150-V154 WeakPolarHBondContact O-CG2 3.36Å; Y150-V154 PolarHBondContact O-N 2.85Å; V154-Q156 PolarHBondContact O-N 3.21Å; V154-H157 PolarHBondContact O-N 3.43Å; V154-L158 WeakPolarHBondContact O-CB 3.28Å; V154-L158 PolarHBondContact O-N 2.62Å
155R95.3Very high93.7Very high37 Ų3756.7 Ų56.714%0.1427%0.266CS..Hα-helixtrans-58.6-46.9177.9-173.2-156.669773112I9 M10 F69 L151 E152 Q153 H157 L158 S159I9-R155 HydrophobicContact CB-CG 3.91Å; I9-R155 HydrophobicContact CG2-CG 3.69Å; M10-R155 WeakPolarHBondContact O-CD 3.11Å; F69-R155 HydrophobicContact CE1-CB 4.42Å; F69-R155 HydrophobicContact CZ-CB 3.96Å; L151-R155 WeakPolarHBondContact O-CB 3.38Å; L151-R155 PolarHBondContact O-N 3.2Å; E152-R155 PolarHBondContact O-N 2.86Å; E152-R155 IonicContact OE1-CZ 2.72Å; E152-R155 IonicContact OE1-NE 3.8Å; E152-R155 PolarHBondContact OE1-NE 3.3Å; E152-R155 IonicContact OE1-NH2 3.81Å; E152-R155 PolarHBondContact OE1-NH2 3.45Å; E152-R155 IonicContact OE2-CZ 2.64Å; E152-R155 IonicContact OE2-NE 2.78Å; E152-R155 PolarHBondContact OE2-NE 2.79Å; E152-R155 IonicContact OE2-NH2 3.45Å; Q153-R155 VanDerWaalsContact C-N 3.34Å; Q153-R155 PolarHBondContact O-N 2.7Å; R155-H157 VanDerWaalsContact C-N 3.35Å; R155-H157 PolarHBondContact O-N 3Å; R155-L158 PolarHBondContact O-N 3.01Å; R155-S159 WeakPolarHBondContact O-CB 3.41Å; R155-S159 PolarHBondContact O-N 3.14Å
156Q93.7Very high93.5Very high88 Ų8851.1 Ų51.141%0.41124%0.242SC..Hα-helixtrans-61.6-44179.9-72.9176.515.800111.5E152 Q153 V154E152-Q156 WeakPolarHBondContact O-CG 3.19Å; E152-Q156 PolarHBondContact O-N 2.96Å; E152-Q156 WeakPolarHBondContact OE1-CG 3.47Å; E152-Q156 PolarHBondContact OE1-NE2 3.46Å; Q153-Q156 PolarHBondContact O-N 3.1Å; V154-Q156 PolarHBondContact O-N 3.21Å
157H92.3Very high93.2Very high80 Ų8045.6 Ų45.637%0.3722%0.218SC..Hα-helixtrans-66.3-46.8176.3-167.7-106.1000111.6Y87 Q153 V154 R155 S159 R160 L161Y87-H157 HydrophobicContact CE1-CB 3.98Å; Y87-H157 AromaticContact CE1-ND1 3.46Å; Y87-H157 WeakPolarHBondContact CE1-ND1 3.47Å; Y87-H157 AromaticContact CZ-ND1 3.44Å; Y87-H157 PolarHBondContact OH-ND1 3.2Å; Q153-H157 PolarHBondContact O-N 3.41Å; V154-H157 PolarHBondContact O-N 3.43Å; R155-H157 VanDerWaalsContact C-N 3.35Å; R155-H157 PolarHBondContact O-N 3Å; H157-S159 VanDerWaalsContact C-N 3.26Å; H157-S159 PolarHBondContact O-N 3Å; H157-R160 WeakPolarHBondContact O-CB 3.39Å; H157-R160 PolarHBondContact O-N 2.9Å; H157-L161 PolarHBondContact O-N 2.97Å
158L91.3Very high93Very high0 Ų046.7 Ų46.70%022%0.224CC..Hα-helixtrans-63.5-32.6-178.3-168.574.5000111.9F6 I9 P70 M83 Y87 V154 R155 R160 L161F6-L158 HydrophobicContact CB-CD1 4.4Å; F6-L158 HydrophobicContact CB-CD2 3.75Å; F6-L158 HydrophobicContact CB-CG 3.55Å; F6-L158 HydrophobicContact CD1-CD1 4.28Å; F6-L158 HydrophobicContact CD1-CD2 3.81Å; F6-L158 HydrophobicContact CD1-CG 4.09Å; F6-L158 HydrophobicContact CD2-CD1 3.82Å; F6-L158 HydrophobicContact CD2-CG 3.92Å; F6-L158 HydrophobicContact CE2-CD1 4.11Å; F6-L158 HydrophobicContact CG-CD1 3.92Å; F6-L158 HydrophobicContact CG-CD2 3.8Å; F6-L158 HydrophobicContact CG-CG 3.6Å; F6-L158 HydrophobicContact CZ-CD1 4.46Å; I9-L158 HydrophobicContact CD1-CD2 3.61Å; P70-L158 HydrophobicContact CG-CD2 4.12Å; M83-L158 HydrophobicContact CE-CD1 4.11Å; M83-L158 HydrophobicContact CE-CD2 4.47Å; M83-L158 HydrophobicContact CG-CD1 4.49Å; M83-L158 HydrophobicContact SD-CD1 4.24Å; Y87-L158 HydrophobicContact CE2-CD1 3.97Å; Y87-L158 WeakPolarHBondContact OH-CA 3.4Å; Y87-L158 PolarHBondContact OH-N 3.15Å; Y87-L158 VanDerWaalsContact OH-N 3.13Å; V154-L158 WeakPolarHBondContact O-CB 3.28Å; V154-L158 PolarHBondContact O-N 2.62Å; R155-L158 PolarHBondContact O-N 3.01Å; L158-R160 PolarHBondContact O-N 3.13Å; L158-L161 HydrophobicContact CD1-CD1 3.64Å; L158-L161 PolarHBondContact O-N 3.43Å
159S91.3Very high92.9Very high33 Ų3349.9 Ų49.923%0.23124%0.236CC..THydrogen-bonded Turntrans-65.3-22.1174.2-177.30000113.6K7 R155 H157K7-S159 WeakPolarHBondContact CE-O 3.48Å; R155-S159 WeakPolarHBondContact O-CB 3.41Å; R155-S159 PolarHBondContact O-N 3.14Å; H157-S159 VanDerWaalsContact C-N 3.26Å; H157-S159 PolarHBondContact O-N 3Å
160R89.4Confident92.8Very high205 Ų20545.1 Ų45.177%0.77421%0.214SC*.THydrogen-bonded Turntrans-91.2-17.2178-64.8177.4-178.3175.10.7112.7H157 L158H157-R160 WeakPolarHBondContact O-CB 3.39Å; H157-R160 PolarHBondContact O-N 2.9Å; L158-R160 PolarHBondContact O-N 3.13Å
161L88.4Confident92.8Very high20 Ų2043.6 Ų43.611%0.10521%0.208CC..SBendtrans-62.6137.1179.5-73.9176.4000111L86 H157 L158L86-L161 HydrophobicContact CD1-CD1 3.98Å; L86-L161 HydrophobicContact CD1-CD2 4.08Å; H157-L161 PolarHBondContact O-N 2.97Å; L158-L161 HydrophobicContact CD1-CD1 3.64Å; L158-L161 PolarHBondContact O-N 3.43Å
162P89.3Confident92.7Very high40 Ų4043.6 Ų43.626%0.2621%0.208SC..  trans-71152.3177.831.5-36.2000111.2I164 L205 V207P162-I164 HydrophobicContact CG-CD1 4.43Å; P162-I164 PolarHBondContact O-N 3.48Å; P162-L205 WeakPolarHBondContact CG-O 3.41Å; P162-V207 HydrophobicContact CB-CB 4.21Å; P162-V207 HydrophobicContact CB-CG2 3.61Å; P162-V207 HydrophobicContact CG-CG2 3.81Å
163T90.4Very high92.7Very high63 Ų6342.4 Ų42.439%0.38720%0.203SC..  trans-86112.1174.652.40000109.6
164I91.3Very high92.5Very high7 Ų736.8 Ų36.84%0.03618%0.177CC..  trans-113.8128.2178.1-61.4167.7000107.1F78 Y79 P162 P166 L205 V207 V220 L247F78-I164 HydrophobicContact CE1-CB 4.06Å; F78-I164 HydrophobicContact CE1-CD1 4.16Å; F78-I164 HydrophobicContact CE1-CG2 4.21Å; F78-I164 HydrophobicContact CZ-CD1 3.94Å; Y79-I164 WeakPolarHBondContact CE2-O 3.33Å; Y79-I164 PolarHBondContact OH-N 3.3Å; Y79-I164 PolarHBondContact OH-O 2.8Å; P162-I164 HydrophobicContact CG-CD1 4.43Å; P162-I164 PolarHBondContact O-N 3.48Å; I164-P166 WeakPolarHBondContact O-CD 3.46Å; I164-L205 HydrophobicContact CD1-CB 4.49Å; I164-L205 HydrophobicContact CD1-CD1 4.36Å; I164-V207 HydrophobicContact CD1-CG2 3.75Å; I164-V207 HydrophobicContact CG1-CG2 3.33Å; I164-V220 HydrophobicContact CD1-CG1 4.38Å; I164-V220 HydrophobicContact CD1-CG2 4.39Å; I164-V220 HydrophobicContact CG2-CG2 4.4Å; I164-L247 HydrophobicContact CG2-CD1 4.4Å; I164-L247 HydrophobicContact CG2-CD2 3.79Å
165D92Very high92.4Very high43 Ų4336.6 Ų36.623%0.2318%0.176CC..  trans-93111.3171.3179.6-2.1000108.6N167 T168 Q218D165-N167 PolarHBondContact O-N 3.05Å; D165-N167 VanDerWaalsContact O-N 3.13Å; D165-N167 PolarHBondContact OD1-N 3.32Å; D165-T168 HydrophobicContact CB-CG2 3.85Å; D165-T168 VanDerWaalsContact O-CG2 3.31Å; D165-T168 WeakPolarHBondContact O-CG2 3.37Å; D165-T168 PolarHBondContact O-N 2.97Å; D165-Q218 VanDerWaalsContact N-OE1 3.16Å
166P91.8Very high92.2Very high6 Ų635.1 Ų35.14%0.03917%0.17CC..THydrogen-bonded Turntrans-65.4-19-176.926.9-34.9000113.4H76 F78 I164 L247H76-P166 HydrophobicContact CB-CG 4.49Å; H76-P166 VanDerWaalsContact CE1-CB 3.47Å; H76-P166 WeakPolarHBondContact CE1-CB 3.35Å; F78-P166 HydrophobicContact CB-CB 4.38Å; I164-P166 WeakPolarHBondContact O-CD 3.46Å; P166-L247 HydrophobicContact CB-CD2 4.02Å
167N89.9Confident92Very high47 Ų4731.6 Ų31.625%0.25116%0.155SC..THydrogen-bonded Turntrans-97.2-9.8-177.2-69.3-62.3000113.8M1 D165 R343M1-N167 HydrophobicContact SD-CB 4.45Å; D165-N167 PolarHBondContact O-N 3.05Å; D165-N167 VanDerWaalsContact O-N 3.13Å; D165-N167 PolarHBondContact OD1-N 3.32Å; N167-R343 PolarHBondContact O-NH2 2.83Å
168T92.6Very high91.9Very high28 Ų2830.3 Ų30.317%0.17215%0.151CC..SBendtrans-80-174.5-178.9-158.70000112D165 Q218 R343D165-T168 HydrophobicContact CB-CG2 3.85Å; D165-T168 VanDerWaalsContact O-CG2 3.31Å; D165-T168 WeakPolarHBondContact O-CG2 3.37Å; D165-T168 PolarHBondContact O-N 2.97Å; T168-Q218 HydrophobicContact CG2-CB 4.46Å; T168-Q218 HydrophobicContact CG2-CG 3.72Å; T168-R343 PolarHBondContact O-NH1 3.32Å
169R94.7Very high91.9Very high68 Ų6830.3 Ų30.326%0.25715%0.151SC..  trans-82.3113174.6-62.3173.2-163.777.4-3.3108.6W217 Q218 L339R169-W217 HydrophobicContact CB-CD2 3.93Å; R169-W217 HydrophobicContact CB-CE3 3.66Å; R169-W217 HydrophobicContact CB-CH2 4.25Å; R169-W217 HydrophobicContact CB-CZ3 3.88Å; R169-W217 HydrophobicContact CG-CH2 4.43Å; R169-Q218 PolarHBondContact O-N 3.13Å; R169-L339 HydrophobicContact CB-CD2 4.29Å
170T95.7Very high91.8Very high0 Ų029.4 Ų29.40%015%0.147CC..EExtended strand (participates in β ladder)trans-124.9136.1-176-54.10000109.6Q218 V220 L247 S249 A250T170-Q218 CarbonylContact C-O 3.54Å; T170-Q218 VanDerWaalsContact CA-O 3.23Å; T170-Q218 WeakPolarHBondContact CA-O 3.32Å; T170-Q218 HydrophobicContact CG2-CB 4.33Å; T170-V220 HydrophobicContact CG2-CB 4.21Å; T170-V220 HydrophobicContact CG2-CG2 3.49Å; T170-V220 VanDerWaalsContact CG2-CG2 3.49Å; T170-L247 HydrophobicContact CG2-CD1 4.48Å; T170-S249 CarbonylContact O-C 3.45Å; T170-S249 WeakPolarHBondContact O-CA 3.4Å; T170-S249 WeakPolarHBondContact O-CB 3.39Å; T170-A250 PolarHBondContact O-N 2.86Å
171L96.1Very high92Very high3 Ų320.1 Ų20.12%0.01611%0.112CC..EExtended strand (participates in β ladder)trans-103130.9164.5-58.9-171.6000106.8M210 W217 Q218 V219 V220 A250 L252 A335L171-M210 HydrophobicContact CD1-CE 3.36Å; L171-M210 HydrophobicContact CG-CE 4.2Å; L171-W217 HydrophobicContact CD2-CE3 4.17Å; L171-W217 HydrophobicContact CD2-CZ3 4.07Å; L171-W217 HydrophobicContact CG-CE3 4.24Å; L171-Q218 PolarHBondContact N-O 3.12Å; L171-V219 HydrophobicContact CB-CG2 4.38Å; L171-V219 HydrophobicContact CD1-CG2 4.42Å; L171-V219 CarbonylContact O-C 3.53Å; L171-V219 WeakPolarHBondContact O-CA 3.37Å; L171-V220 PolarHBondContact O-N 3.45Å; L171-A250 WeakPolarHBondContact CA-O 3.41Å; L171-A250 HydrophobicContact CD2-CB 3.72Å; L171-L252 HydrophobicContact CB-CD1 3.81Å; L171-L252 HydrophobicContact CD1-CD1 4.42Å; L171-L252 HydrophobicContact CD2-CD1 4.21Å; L171-L252 HydrophobicContact CG-CD1 4.37Å; L171-A335 HydrophobicContact CD1-CB 4.32Å; L171-A335 HydrophobicContact CD2-CB 4.09Å
172L95.4Very high92.2Very high0 Ų019.9 Ų19.90%011%0.112CC..EExtended strand (participates in β ladder)trans-116.4122.4-178-171.266.7000108.5V220 T222 A243 L244 L247 A250 L252L172-V220 HydrophobicContact CD1-CB 3.63Å; L172-V220 HydrophobicContact CD1-CG1 3.57Å; L172-T222 HydrophobicContact CD1-CG2 3.4Å; L172-T222 HydrophobicContact CG-CG2 3.95Å; L172-A243 HydrophobicContact CD1-CB 4.17Å; L172-A243 HydrophobicContact CD2-CB 4.47Å; L172-L244 HydrophobicContact CD2-CB 4.38Å; L172-L244 HydrophobicContact CD2-CD2 3.53Å; L172-L244 HydrophobicContact CD2-CG 3.77Å; L172-L247 HydrophobicContact CD1-CD1 4.19Å; L172-A250 PolarHBondContact N-O 2.88Å; L172-L252 PolarHBondContact O-N 2.67Å
173L94.5Very high92.3Very high0 Ų019.3 Ų19.30%011%0.109CC..EExtended strand (participates in β ladder)trans-89.9124.7177.9-57.2175.5000108.9K181 F184 I185 V219 V220 D221 T222 L252L173-K181 HydrophobicContact CB-CB 4.27Å; L173-K181 HydrophobicContact CB-CD 4.36Å; L173-K181 HydrophobicContact CB-CG 4.5Å; L173-K181 HydrophobicContact CD1-CB 4.48Å; L173-K181 WeakPolarHBondContact CD1-O 3.45Å; L173-F184 HydrophobicContact CD1-CD1 4.06Å; L173-F184 HydrophobicContact CD2-CD1 3.72Å; L173-F184 HydrophobicContact CD2-CE1 3.97Å; L173-I185 HydrophobicContact CD1-CB 4.01Å; L173-V219 HydrophobicContact CD1-CG1 4.04Å; L173-V219 HydrophobicContact CG-CG1 4.15Å; L173-V220 PolarHBondContact N-O 3.34Å; L173-D221 HydrophobicContact CD1-CB 4.44Å; L173-T222 WeakPolarHBondContact O-CG2 3.17Å; L173-T222 PolarHBondContact O-OG1 2.59Å; L173-L252 HydrophobicContact CD2-CB 3.97Å; L173-L252 HydrophobicContact CD2-CD2 4.07Å; L173-L252 HydrophobicContact CD2-CG 4.46Å
174C92.4Very high92.5Very high0 Ų016.6 Ų16.60%09%0.092CC..EExtended strand (participates in β ladder)trans-135156.7178.8-63.90000110.7V251 L252 Y253 V254C174-V251 HydrophobicContact CB-CG1 4.39Å; C174-L252 PolarHBondContact N-O 3.13Å; C174-Y253 HydrophobicContact CB-CD2 4.4Å; C174-Y253 CarbonylContact O-C 3.58Å; C174-Y253 WeakPolarHBondContact O-CA 3.23Å; C174-V254 PolarHBondContact O-N 2.85Å
175G91.4Very high92.7Very high1 Ų116.3 Ų16.31%0.019%0.09CC..SBendtrans144.1177.9-17800000112K181 G224 I225G175-K181 PolarHBondContact O-NZ 3.11Å; G175-G224 WeakPolarHBondContact O-CA 3.48Å; G175-I225 PolarHBondContact O-N 3.34Å
176Y91.2Very high92.7Very high5 Ų516.5 Ų16.52%0.029%0.091CC..SBendtrans-59.4158.6-179.1-88.6-87.6000113.2V179 K181 L226 Q263 Q267 Q268 L271Y176-V179 WeakPolarHBondContact O-CG1 3.35Å; Y176-V179 WeakPolarHBondContact O-CG2 3.26Å; Y176-K181 PolarHBondContact O-NZ 3.13Å; Y176-L226 HydrophobicContact CD1-CD2 3.99Å; Y176-L226 HydrophobicContact CE1-CD2 4.02Å; Y176-Q263 HydrophobicContact CD1-CB 4.4Å; Y176-Q263 HydrophobicContact CD1-CG 3.65Å; Y176-Q263 HydrophobicContact CE1-CB 4.4Å; Y176-Q263 HydrophobicContact CE1-CG 3.67Å; Y176-Q263 HydrophobicContact CG-CG 4.28Å; Y176-Q267 PolarHBondContact OH-O 3.13Å; Y176-Q268 HydrophobicContact CD2-CB 4.35Å; Y176-Q268 HydrophobicContact CD2-CG 3.77Å; Y176-Q268 HydrophobicContact CE2-CB 4.39Å; Y176-Q268 HydrophobicContact CE2-CG 4.1Å; Y176-L271 HydrophobicContact CD2-CB 4.4Å; Y176-L271 HydrophobicContact CD2-CD2 3.49Å; Y176-L271 VanDerWaalsContact CD2-CD2 3.49Å; Y176-L271 HydrophobicContact CE1-CD2 4.38Å; Y176-L271 HydrophobicContact CE2-CB 3.47Å; Y176-L271 VanDerWaalsContact CE2-CB 3.47Å; Y176-L271 HydrophobicContact CE2-CD2 3.29Å; Y176-L271 HydrophobicContact CE2-CG 3.98Å; Y176-L271 HydrophobicContact CG-CD2 4.13Å
177P90.5Very high92.8Very high15 Ų1521 Ų2110%0.09711%0.11CC..THydrogen-bonded Turntrans-52.8152.8165.3-22.434.1000111.5V179 A199 L226P177-V179 PolarHBondContact O-N 3.46Å; P177-A199 HydrophobicContact CB-CB 3.75Å; P177-A199 HydrophobicContact CG-CB 4.34Å; P177-L226 HydrophobicContact CG-CD2 4.03Å
178N89.5Confident93Very high53 Ų5319.6 Ų19.628%0.28310%0.103SC..THydrogen-bonded Turntrans61.86.7174.5-61-13.1000118.1G180 P197 Y198 C261 K290N178-G180 PolarHBondContact O-N 2.73Å; N178-P197 PolarHBondContact ND2-O 3.03Å; N178-Y198 PolarHBondContact OD1-O 3.17Å; N178-C261 HydrophobicContact CB-CB 4.28Å; N178-K290 PolarHBondContact O-NZ 2.91Å; N178-K290 VanDerWaalsContact O-NZ 3.14Å
179V91.7Very high93.1Very high0 Ų018.9 Ų18.90%010%0.099CC..SBendtrans-74.8-9.2174.8-56.40000114Y176 P177 K181 V254 D256 C261 N289Y176-V179 WeakPolarHBondContact O-CG1 3.35Å; Y176-V179 WeakPolarHBondContact O-CG2 3.26Å; P177-V179 PolarHBondContact O-N 3.46Å; V179-K181 HydrophobicContact CG2-CD 4.32Å; V179-K181 HydrophobicContact CG2-CG 3.63Å; V179-V254 HydrophobicContact CB-CG1 4.19Å; V179-V254 HydrophobicContact CG2-CB 3.89Å; V179-V254 HydrophobicContact CG2-CG1 3.78Å; V179-D256 HydrophobicContact CB-CB 4.2Å; V179-D256 HydrophobicContact CG1-CB 4.02Å; V179-C261 HydrophobicContact CG1-CB 3.95Å; V179-N289 PolarHBondContact O-ND2 2.85Å
180G90.3Very high92.9Very high14 Ų1427.7 Ų27.714%0.14413%0.132CC..SBendtrans98.319.517700000116.4N178 S182 S183 F184N178-G180 PolarHBondContact O-N 2.73Å; G180-S182 PolarHBondContact O-N 3.36Å; G180-S183 PolarHBondContact O-N 2.92Å; G180-F184 PolarHBondContact O-N 3.04Å
181K92.3Very high92.6Very high9 Ų928.9 Ų28.94%0.03914%0.142CC..Hα-helixtrans-55.7-49.3175.2-56.7-173.1-65-78.80112.9L173 G175 Y176 V179 S183 F184 I185 D221 T222 V254L173-K181 HydrophobicContact CB-CB 4.27Å; L173-K181 HydrophobicContact CB-CD 4.36Å; L173-K181 HydrophobicContact CB-CG 4.5Å; L173-K181 HydrophobicContact CD1-CB 4.48Å; L173-K181 WeakPolarHBondContact CD1-O 3.45Å; G175-K181 PolarHBondContact O-NZ 3.11Å; Y176-K181 PolarHBondContact O-NZ 3.13Å; V179-K181 HydrophobicContact CG2-CD 4.32Å; V179-K181 HydrophobicContact CG2-CG 3.63Å; K181-S183 VanDerWaalsContact C-N 3.31Å; K181-S183 PolarHBondContact O-N 3.1Å; K181-F184 WeakPolarHBondContact O-CB 3.25Å; K181-F184 PolarHBondContact O-N 2.89Å; K181-F184 VanDerWaalsContact O-N 3.13Å; K181-I185 PolarHBondContact O-N 2.99Å; K181-I185 VanDerWaalsContact O-N 3.1Å; K181-D221 WeakPolarHBondContact CB-OD1 3.21Å; K181-T222 WeakPolarHBondContact CE-O 3.19Å; K181-V254 HydrophobicContact CG-CB 4.14Å; K181-V254 HydrophobicContact CG-CG2 4.08Å
182S92.4Very high92.2Very high15 Ų1536.3 Ų36.311%0.10518%0.181CC..Hα-helixtrans-69.3-29.8-178.7-49.30000112.5G180 I185 N186 T202 D221G180-S182 PolarHBondContact O-N 3.36Å; S182-I185 WeakPolarHBondContact O-CG2 3.44Å; S182-N186 PolarHBondContact O-N 3.34Å; S182-N186 PolarHBondContact O-ND2 2.86Å; S182-T202 WeakPolarHBondContact OG-CG2 3.46Å; S182-D221 WeakPolarHBondContact CA-OD2 3.31Å; S182-D221 WeakPolarHBondContact CB-OD2 3.49Å; S182-D221 PolarHBondContact OG-OD2 2.87Å
183S92.8Very high92Very high29 Ų2936.5 Ų36.520%0.20318%0.183CC..Hα-helixtrans-67.7-40.3169.9-52.90000111.8G180 K181 N186 K187 V195G180-S183 PolarHBondContact O-N 2.92Å; K181-S183 VanDerWaalsContact C-N 3.31Å; K181-S183 PolarHBondContact O-N 3.1Å; S183-N186 PolarHBondContact O-N 3.43Å; S183-K187 WeakPolarHBondContact O-CG 3.43Å; S183-K187 PolarHBondContact O-N 3.39Å; S183-K187 VanDerWaalsContact O-N 3.15Å; S183-V195 WeakPolarHBondContact OG-CG1 3.4Å
184F94.2Very high91.6Very high6 Ų642 Ų423%0.02621%0.209CC..Hα-helixtrans-62.7-44.8179-176.3-91.2000112.1L173 G180 K181 N186 K187 V188 L252 T322 V328 V331L173-F184 HydrophobicContact CD1-CD1 4.06Å; L173-F184 HydrophobicContact CD2-CD1 3.72Å; L173-F184 HydrophobicContact CD2-CE1 3.97Å; G180-F184 PolarHBondContact O-N 3.04Å; K181-F184 WeakPolarHBondContact O-CB 3.25Å; K181-F184 PolarHBondContact O-N 2.89Å; K181-F184 VanDerWaalsContact O-N 3.13Å; F184-N186 VanDerWaalsContact C-N 3.34Å; F184-N186 PolarHBondContact O-N 3.12Å; F184-K187 PolarHBondContact O-N 3.27Å; F184-V188 HydrophobicContact CD1-CG2 3.99Å; F184-V188 HydrophobicContact CD2-CG2 4.47Å; F184-V188 HydrophobicContact CE1-CB 4.45Å; F184-V188 HydrophobicContact CE1-CG2 3.59Å; F184-V188 HydrophobicContact CE2-CG2 4.11Å; F184-V188 HydrophobicContact CG-CG2 4.41Å; F184-V188 HydrophobicContact CZ-CG2 3.63Å; F184-V188 WeakPolarHBondContact O-CB 2.73Å; F184-V188 WeakPolarHBondContact O-CG2 3.38Å; F184-V188 PolarHBondContact O-N 3.42Å; F184-L252 HydrophobicContact CE1-CD2 4.15Å; F184-L252 HydrophobicContact CZ-CD2 4.31Å; F184-T322 HydrophobicContact CB-CG2 4.14Å; F184-T322 HydrophobicContact CD2-CG2 4.46Å; F184-V328 HydrophobicContact CD2-CG1 4.33Å; F184-V328 HydrophobicContact CE2-CB 4.46Å; F184-V328 HydrophobicContact CE2-CG1 3.94Å; F184-V331 HydrophobicContact CE2-CB 4.37Å; F184-V331 HydrophobicContact CE2-CG1 4.05Å; F184-V331 HydrophobicContact CZ-CB 4.21Å; F184-V331 HydrophobicContact CZ-CG1 3.57Å
185I94.5Very high91.4Very high0 Ų045.2 Ų45.20%023%0.228CC..Hα-helixtrans-61.7-38.1176.1-176.4171.5000112.6L173 K181 S182 K187 V188 T189 A191 V193 V219 D221L173-I185 HydrophobicContact CD1-CB 4.01Å; K181-I185 PolarHBondContact O-N 2.99Å; K181-I185 VanDerWaalsContact O-N 3.1Å; S182-I185 WeakPolarHBondContact O-CG2 3.44Å; I185-K187 VanDerWaalsContact C-N 3.31Å; I185-K187 PolarHBondContact O-N 3.46Å; I185-V188 PolarHBondContact O-N 2.68Å; I185-T189 HydrophobicContact CG1-CG2 4.23Å; I185-T189 WeakPolarHBondContact CG1-OG1 3.13Å; I185-T189 WeakPolarHBondContact O-CA 3.27Å; I185-T189 WeakPolarHBondContact O-CB 3.17Å; I185-T189 PolarHBondContact O-N 2.89Å; I185-T189 PolarHBondContact O-OG1 2.89Å; I185-A191 HydrophobicContact CD1-CB 4.31Å; I185-A191 HydrophobicContact CG1-CB 4.15Å; I185-V193 HydrophobicContact CD1-CG2 4.46Å; I185-V193 HydrophobicContact CG2-CB 4.38Å; I185-V193 HydrophobicContact CG2-CG2 3.94Å; I185-V219 HydrophobicContact CD1-CG1 4.37Å; I185-V219 HydrophobicContact CG1-CG1 4.24Å; I185-D221 HydrophobicContact CD1-CB 3.87Å; I185-D221 HydrophobicContact CG2-CB 4.3Å
186N93.6Very high91.2Very high47 Ų4748.7 Ų48.725%0.25124%0.244SC..Hα-helixtrans-68.4-29177.4-69.8-10000112.7S182 S183 F184 T189 A191 V193S182-N186 PolarHBondContact O-N 3.34Å; S182-N186 PolarHBondContact O-ND2 2.86Å; S183-N186 PolarHBondContact O-N 3.43Å; F184-N186 VanDerWaalsContact C-N 3.34Å; F184-N186 PolarHBondContact O-N 3.12Å; N186-T189 CarbonylContact C-O 3.59Å; N186-A191 PolarHBondContact OD1-O 3.47Å; N186-V193 PolarHBondContact ND2-O 2.95Å; N186-V193 PolarHBondContact OD1-N 3.23Å
187K94Very high90.8Very high102 Ų10253.7 Ų53.744%0.44328%0.277SS..Hα-helixtrans-80.3-36.8175.1-68.7-63.1-170.9170.20112.7S183 F184 I185 T322 E325 V328S183-K187 WeakPolarHBondContact O-CG 3.43Å; S183-K187 PolarHBondContact O-N 3.39Å; S183-K187 VanDerWaalsContact O-N 3.15Å; F184-K187 PolarHBondContact O-N 3.27Å; I185-K187 VanDerWaalsContact C-N 3.31Å; I185-K187 PolarHBondContact O-N 3.46Å; K187-T322 VanDerWaalsContact CE-O 3.26Å; K187-T322 WeakPolarHBondContact CE-O 3.14Å; K187-E325 HydrophobicContact CD-CG 4.38Å; K187-E325 IonicContact NZ-OE1 3.26Å; K187-E325 PolarHBondContact NZ-OE1 3.26Å; K187-V328 HydrophobicContact CB-CG1 4.31Å
188V94.1Very high90.4Very high17 Ų1759.3 Ų59.310%0.10330%0.297CS..Hα-helixtrans-82.6-30.2-177.8172.60000112.8F184 I185 M210 V219 V328 K332F184-V188 HydrophobicContact CD1-CG2 3.99Å; F184-V188 HydrophobicContact CD2-CG2 4.47Å; F184-V188 HydrophobicContact CE1-CB 4.45Å; F184-V188 HydrophobicContact CE1-CG2 3.59Å; F184-V188 HydrophobicContact CE2-CG2 4.11Å; F184-V188 HydrophobicContact CG-CG2 4.41Å; F184-V188 HydrophobicContact CZ-CG2 3.63Å; F184-V188 WeakPolarHBondContact O-CB 2.73Å; F184-V188 WeakPolarHBondContact O-CG2 3.38Å; F184-V188 PolarHBondContact O-N 3.42Å; I185-V188 PolarHBondContact O-N 2.68Å; V188-M210 HydrophobicContact CG1-SD 3.35Å; V188-M210 WeakPolarHBondContact CG1-SD 3.46Å; V188-V219 HydrophobicContact CG1-CG2 4.42Å; V188-V328 HydrophobicContact CG2-CG1 3.48Å; V188-V328 VanDerWaalsContact CG2-CG1 3.48Å; V188-K332 HydrophobicContact CG1-CD 4.27Å
189T94.3Very high90Very high12 Ų1258.8 Ų58.87%0.07430%0.301CS..SBendtrans-128.4169.6-174.178.20000111I185 N186 A191 M210 V219I185-T189 HydrophobicContact CG1-CG2 4.23Å; I185-T189 WeakPolarHBondContact CG1-OG1 3.13Å; I185-T189 WeakPolarHBondContact O-CA 3.27Å; I185-T189 WeakPolarHBondContact O-CB 3.17Å; I185-T189 PolarHBondContact O-N 2.89Å; I185-T189 PolarHBondContact O-OG1 2.89Å; N186-T189 CarbonylContact C-O 3.59Å; T189-A191 PolarHBondContact O-N 3.5Å; T189-A191 VanDerWaalsContact OG1-CB 3.3Å; T189-A191 WeakPolarHBondContact OG1-CB 3.41Å; T189-A191 PolarHBondContact OG1-N 3.03Å; T189-M210 HydrophobicContact CG2-CB 4.2Å; T189-V219 HydrophobicContact CG2-CB 3.98Å; T189-V219 HydrophobicContact CG2-CG2 3.73Å
190R90.5Very high89.4Confident253 Ų25362.1 Ų62.196%0.95532%0.315SS*.SBendtrans-86.220.2172-58.8-176.8-177.4-173.6-0.4113.1
191A89Confident88.8Confident25 Ų2563 Ų6321%0.20732%0.318CS..  trans-70.7148.9173.700000109.6I185 N186 T189 V193I185-A191 HydrophobicContact CD1-CB 4.31Å; I185-A191 HydrophobicContact CG1-CB 4.15Å; N186-A191 PolarHBondContact OD1-O 3.47Å; T189-A191 PolarHBondContact O-N 3.5Å; T189-A191 VanDerWaalsContact OG1-CB 3.3Å; T189-A191 WeakPolarHBondContact OG1-CB 3.41Å; T189-A191 PolarHBondContact OG1-N 3.03Å; A191-V193 HydrophobicContact CB-CG2 4.27Å
192D88.6Confident88.1Confident159 Ų15963.1 Ų63.185%0.8532%0.319SS*.  trans-117.182.3176.1-16915.8000107.9
193V90.1Very high87.7Confident5 Ų568.9 Ų68.93%0.0334%0.342CS..  trans-94.9132.1177.4-174.20000108.5I185 N186 A191 V195 T202 F206I185-V193 HydrophobicContact CD1-CG2 4.46Å; I185-V193 HydrophobicContact CG2-CB 4.38Å; I185-V193 HydrophobicContact CG2-CG2 3.94Å; N186-V193 PolarHBondContact ND2-O 2.95Å; N186-V193 PolarHBondContact OD1-N 3.23Å; A191-V193 HydrophobicContact CB-CG2 4.27Å; V193-V195 PolarHBondContact O-N 2.85Å; V193-T202 HydrophobicContact CG1-CG2 3.62Å; V193-F206 HydrophobicContact CG1-CD2 4.08Å; V193-F206 HydrophobicContact CG1-CE2 4.38Å; V193-F206 HydrophobicContact CG1-CG 4.35Å; V193-F206 HydrophobicContact CG2-CB 3.97Å; V193-F206 HydrophobicContact CG2-CD1 4.39Å; V193-F206 HydrophobicContact CG2-CG 4.09Å
194E87.3Confident87.4Confident115 Ų11569.2 Ų69.254%0.53735%0.345SS..  trans-66.1129.7178.2-165.3-178.1170.900110.9Q196 T201E194-Q196 HydrophobicContact CG-CG 4.07Å; E194-Q196 PolarHBondContact OE1-NE2 3.09Å; E194-T201 HydrophobicContact CB-CG2 4.48Å; E194-T201 HydrophobicContact CG-CG2 4.47Å; E194-T201 WeakPolarHBondContact O-CG2 3.43Å
195V87.1Confident87.2Confident68 Ų6869.3 Ų69.341%0.41235%0.346SS..  trans-116119.7177.9-177.30000108.5S183 V193S183-V195 WeakPolarHBondContact OG-CG1 3.4Å; V193-V195 PolarHBondContact O-N 2.85Å
196Q86.8Confident87.1Confident74 Ų7472.9 Ų72.935%0.34636%0.361SS..  trans-135.3154.8178.2-62.2-69-10.900109.5E194 Y198 T201E194-Q196 HydrophobicContact CG-CG 4.07Å; E194-Q196 PolarHBondContact OE1-NE2 3.09Å; Q196-Y198 HydrophobicContact CB-CD1 3.81Å; Q196-Y198 HydrophobicContact CB-CE1 3.37Å; Q196-Y198 HydrophobicContact CB-CE2 4.19Å; Q196-Y198 HydrophobicContact CB-CG 4.4Å; Q196-Y198 HydrophobicContact CG-CE1 3.79Å; Q196-Y198 PolarHBondContact O-N 2.67Å; Q196-T201 HydrophobicContact CB-CG2 3.7Å; Q196-T201 HydrophobicContact CG-CG2 3.79Å; Q196-T201 PolarHBondContact O-OG1 2.84Å
197P83.7Confident87.1Confident110 Ų11072 Ų7271%0.71436%0.358SS*.SBendtrans-76.6-6-174.730.3-35.8000114.2N178N178-P197 PolarHBondContact ND2-O 3.03Å
198Y82.6Confident87.1Confident132 Ų13267.2 Ų67.252%0.51834%0.337SS..SBendtrans-98.7145.7-179.854.9-97.5000111.8N178 Q196 T201N178-Y198 PolarHBondContact OD1-O 3.17Å; Q196-Y198 HydrophobicContact CB-CD1 3.81Å; Q196-Y198 HydrophobicContact CB-CE1 3.37Å; Q196-Y198 HydrophobicContact CB-CE2 4.19Å; Q196-Y198 HydrophobicContact CB-CG 4.4Å; Q196-Y198 HydrophobicContact CG-CE1 3.79Å; Q196-Y198 PolarHBondContact O-N 2.67Å; Y198-T201 PolarHBondContact O-OG1 3Å
199A80.4Confident87.2Confident43 Ų4370 Ų7036%0.35535%0.349SS..THydrogen-bonded Turntrans-60.5157.2-178.400000113P177 T201P177-A199 HydrophobicContact CB-CB 3.75Å; P177-A199 HydrophobicContact CG-CB 4.34Å; A199-T201 VanDerWaalsContact C-N 3.29Å; A199-T201 PolarHBondContact O-N 3.3Å
200F79.7Confident87.2Confident69 Ų6970 Ų7030%0.30335%0.348SS..THydrogen-bonded Turntrans60.829.9-178.9-54.7-79.3000115T202 K203 L226 I236F200-T202 VanDerWaalsContact C-N 3.26Å; F200-T202 PolarHBondContact O-N 3.31Å; F200-K203 WeakPolarHBondContact O-CG 3.26Å; F200-L226 HydrophobicContact CE2-CD1 4.49Å; F200-L226 HydrophobicContact CZ-CD1 3.85Å; F200-I236 HydrophobicContact CD1-CG2 4.42Å
201T77.4Confident87.5Confident34 Ų3463 Ų6321%0.20933%0.33CS..SBendtrans-55.9-44.2168-34.30000110.8E194 Q196 Y198 A199E194-T201 HydrophobicContact CB-CG2 4.48Å; E194-T201 HydrophobicContact CG-CG2 4.47Å; E194-T201 WeakPolarHBondContact O-CG2 3.43Å; Q196-T201 HydrophobicContact CB-CG2 3.7Å; Q196-T201 HydrophobicContact CG-CG2 3.79Å; Q196-T201 PolarHBondContact O-OG1 2.84Å; Y198-T201 PolarHBondContact O-OG1 3Å; A199-T201 VanDerWaalsContact C-N 3.29Å; A199-T201 PolarHBondContact O-N 3.3Å
202T78.2Confident87.8Confident11 Ų1163.7 Ų63.77%0.06733%0.328CS..  trans-94.6105.4174.847.60000111.2S182 V193 F200 F206 P223S182-T202 WeakPolarHBondContact OG-CG2 3.46Å; V193-T202 HydrophobicContact CG1-CG2 3.62Å; F200-T202 VanDerWaalsContact C-N 3.26Å; F200-T202 PolarHBondContact O-N 3.31Å; T202-F206 HydrophobicContact CG2-CD2 3.94Å; T202-F206 HydrophobicContact CG2-CE2 3.93Å; T202-P223 WeakPolarHBondContact O-CB 3.26Å
203K83.3Confident88.2Confident135 Ų13561.3 Ų61.359%0.58731%0.31SS*.  trans-93.4-12.4179-60.5-173.4-179.6179.80114.2F200 I236F200-K203 WeakPolarHBondContact O-CG 3.26Å; K203-I236 HydrophobicContact CB-CD1 4.25Å; K203-I236 HydrophobicContact CG-CD1 4.19Å
204S86.8Confident88.4Confident37 Ų3772.9 Ų72.926%0.25935%0.354SS..SBendtrans-134.7159.2-179.557.30000110.6F206S204-F206 VanDerWaalsContact O-CD2 3.24Å; S204-F206 WeakPolarHBondContact O-CD2 3.3Å; S204-F206 PolarHBondContact O-N 3.43Å
205L90.2Very high88.8Confident8 Ų870.1 Ų70.14%0.04234%0.343CS..  trans-62.3131.1171.3-60.2172.5000110.3F78 L82 P162 I164 V220 D221 T222 A243F78-L205 HydrophobicContact CE2-CD1 4.42Å; F78-L205 HydrophobicContact CZ-CD1 4.1Å; L82-L205 HydrophobicContact CD1-CD1 4.48Å; P162-L205 WeakPolarHBondContact CG-O 3.41Å; I164-L205 HydrophobicContact CD1-CB 4.49Å; I164-L205 HydrophobicContact CD1-CD1 4.36Å; L205-V220 HydrophobicContact CB-CG1 4.44Å; L205-V220 HydrophobicContact CD2-CG1 4.26Å; L205-D221 WeakPolarHBondContact CA-O 3.21Å; L205-T222 HydrophobicContact CD2-CG2 3.85Å; L205-A243 HydrophobicContact CD1-CB 3.98Å; L205-A243 HydrophobicContact CD2-CB 4.03Å
206F92.1Very high89.2Confident75 Ų7574.7 Ų74.733%0.32935%0.353SS..EExtended strand (participates in β ladder)trans-110.4153.3171.3-73-83.8000110.6V193 T202 S204 V220 D221V193-F206 HydrophobicContact CG1-CD2 4.08Å; V193-F206 HydrophobicContact CG1-CE2 4.38Å; V193-F206 HydrophobicContact CG1-CG 4.35Å; V193-F206 HydrophobicContact CG2-CB 3.97Å; V193-F206 HydrophobicContact CG2-CD1 4.39Å; V193-F206 HydrophobicContact CG2-CG 4.09Å; T202-F206 HydrophobicContact CG2-CD2 3.94Å; T202-F206 HydrophobicContact CG2-CE2 3.93Å; S204-F206 VanDerWaalsContact O-CD2 3.24Å; S204-F206 WeakPolarHBondContact O-CD2 3.3Å; S204-F206 PolarHBondContact O-N 3.43Å; F206-V220 CarbonylContact O-C 3.58Å; F206-V220 VanDerWaalsContact O-CA 3.31Å; F206-V220 WeakPolarHBondContact O-CA 3.43Å; F206-D221 HydrophobicContact CB-CB 4.26Å; F206-D221 PolarHBondContact N-O 3.04Å; F206-D221 VanDerWaalsContact N-O 3.13Å; F206-D221 PolarHBondContact O-N 2.87Å
207V93.2Very high89.6Confident28 Ų2871.2 Ų71.217%0.1734%0.337CS..EExtended strand (participates in β ladder)trans-129.7121.3-177.8-173.50000109.7P162 I164 Q218 V219 V220P162-V207 HydrophobicContact CB-CB 4.21Å; P162-V207 HydrophobicContact CB-CG2 3.61Å; P162-V207 HydrophobicContact CG-CG2 3.81Å; I164-V207 HydrophobicContact CD1-CG2 3.75Å; I164-V207 HydrophobicContact CG1-CG2 3.33Å; V207-Q218 HydrophobicContact CG1-CB 4.38Å; V207-V219 CarbonylContact C-O 3.59Å; V207-V219 WeakPolarHBondContact CA-O 3.42Å; V207-V220 HydrophobicContact CG2-CG2 4.32Å
208G94.3Very high90.2Very high2 Ų266.9 Ų66.92%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-104.5145.6168.100000110.2Q218 V219G208-Q218 CarbonylContact O-C 3.5Å; G208-V219 PolarHBondContact N-O 3.41Å; G208-V219 PolarHBondContact O-N 2.95Å
209H95.4Very high90.8Very high76 Ų7660.7 Ų60.735%0.35228%0.283SS..EExtended strand (participates in β ladder)trans-108.2138.3171.7-66.1-59000109.9W217H209-W217 WeakPolarHBondContact CA-O 3.35Å
210M95.1Very high91.5Very high10 Ų1058.6 Ų58.65%0.04927%0.266CS..EExtended strand (participates in β ladder)trans-137.3158.4171.766.7175.3-171.800110.4L171 V188 T189 W217 V219 K332 C336L171-M210 HydrophobicContact CD1-CE 3.36Å; L171-M210 HydrophobicContact CG-CE 4.2Å; V188-M210 HydrophobicContact CG1-SD 3.35Å; V188-M210 WeakPolarHBondContact CG1-SD 3.46Å; T189-M210 HydrophobicContact CG2-CB 4.2Å; M210-W217 HydrophobicContact CE-CB 3.76Å; M210-W217 HydrophobicContact CE-CD2 4.44Å; M210-W217 HydrophobicContact CE-CG 4.08Å; M210-W217 HydrophobicContact CG-CB 3.79Å; M210-W217 PolarHBondContact N-O 3.06Å; M210-W217 PolarHBondContact O-N 2.93Å; M210-V219 HydrophobicContact CE-CG2 4.1Å; M210-V219 HydrophobicContact CG-CG2 4.15Å; M210-V219 HydrophobicContact SD-CG2 3.92Å; M210-K332 HydrophobicContact CE-CG 4.07Å; M210-K332 HydrophobicContact SD-CD 3.88Å; M210-K332 VanDerWaalsContact SD-CE 3.53Å; M210-K332 HydrophobicContact SD-CG 3.89Å; M210-C336 WeakPolarHBondContact CE-SG 3.36Å
211D96.1Very high92.2Very high108 Ų10855.4 Ų55.458%0.57825%0.252SS*.EExtended strand (participates in β ladder)trans-109.5136.4174.1-60.9-38.1000110L215 K332D211-L215 WeakPolarHBondContact CA-O 3Å; D211-K332 PolarHBondContact O-NZ 3.32Å
212Y96.4Very high92.8Very high39 Ų3953.8 Ų53.815%0.15324%0.242CC..EExtended strand (participates in β ladder)trans-152.9132.6177180-108.5000110.4Y214 L215 W217 T333 C336 D337Y212-Y214 VanDerWaalsContact C-N 3.25Å; Y212-Y214 PolarHBondContact O-N 3.11Å; Y212-L215 PolarHBondContact N-O 3.14Å; Y212-L215 WeakPolarHBondContact O-CB 3.46Å; Y212-L215 PolarHBondContact O-N 3.45Å; Y212-W217 PolarHBondContact O-NE1 3.17Å; Y212-T333 HydrophobicContact CE2-CG2 3.76Å; Y212-C336 HydrophobicContact CD1-CB 3.36Å; Y212-C336 HydrophobicContact CE1-CB 3.46Å; Y212-C336 VanDerWaalsContact CE1-CB 3.46Å; Y212-C336 HydrophobicContact CG-CB 4.28Å; Y212-D337 WeakPolarHBondContact CE1-OD1 3.36Å; Y212-D337 PolarHBondContact OH-OD1 2.98Å; Y212-D337 PolarHBondContact OH-OD2 3.13Å
213K95.8Very high93.3Very high109 Ų10953.2 Ų53.247%0.47424%0.238SC..THydrogen-bonded Turntrans48.244.9-173.8-71-178.7175167.60112.9L215 D337 L340K213-L215 PolarHBondContact O-N 3.09Å; K213-L215 VanDerWaalsContact O-N 3.09Å; K213-D337 WeakPolarHBondContact CE-OD1 3.42Å; K213-D337 IonicContact NZ-OD1 3.73Å; K213-D337 PolarHBondContact NZ-OD1 3.35Å; K213-D337 IonicContact NZ-OD2 2.74Å; K213-D337 PolarHBondContact NZ-OD2 3.21Å; K213-L340 HydrophobicContact CD-CD1 4.24Å
214Y95.8Very high93.2Very high247 Ų24747 Ų4797%0.96921%0.212SC*.THydrogen-bonded Turntrans59.116.6-177.6-50.6-82000115Y212Y212-Y214 VanDerWaalsContact C-N 3.25Å; Y212-Y214 PolarHBondContact O-N 3.11Å
215L95Very high93Very high57 Ų5745.2 Ų45.230%0.29820%0.2SC..EExtended strand (participates in β ladder)trans-112.8145.7176.8-63170.2000109.4D211 Y212 K213 L340D211-L215 WeakPolarHBondContact CA-O 3Å; Y212-L215 PolarHBondContact N-O 3.14Å; Y212-L215 WeakPolarHBondContact O-CB 3.46Å; Y212-L215 PolarHBondContact O-N 3.45Å; K213-L215 PolarHBondContact O-N 3.09Å; K213-L215 VanDerWaalsContact O-N 3.09Å; L215-L340 HydrophobicContact CD1-CD2 3.97Å
216R95.1Very high92.4Very high165 Ų16546.5 Ų46.562%0.62321%0.207SC*.EExtended strand (participates in β ladder)trans-86.3130.9173.1-166168.4-134.9174.11.7110.6
217W95.9Very high91.4Very high0 Ų046.3 Ų46.30%021%0.209CC..EExtended strand (participates in β ladder)trans-117.8151.9179.5-65.776000110.5R169 L171 H209 M210 Y212 C336 L339 L340R169-W217 HydrophobicContact CB-CD2 3.93Å; R169-W217 HydrophobicContact CB-CE3 3.66Å; R169-W217 HydrophobicContact CB-CH2 4.25Å; R169-W217 HydrophobicContact CB-CZ3 3.88Å; R169-W217 HydrophobicContact CG-CH2 4.43Å; L171-W217 HydrophobicContact CD2-CE3 4.17Å; L171-W217 HydrophobicContact CD2-CZ3 4.07Å; L171-W217 HydrophobicContact CG-CE3 4.24Å; H209-W217 WeakPolarHBondContact CA-O 3.35Å; M210-W217 HydrophobicContact CE-CB 3.76Å; M210-W217 HydrophobicContact CE-CD2 4.44Å; M210-W217 HydrophobicContact CE-CG 4.08Å; M210-W217 HydrophobicContact CG-CB 3.79Å; M210-W217 PolarHBondContact N-O 3.06Å; M210-W217 PolarHBondContact O-N 2.93Å; Y212-W217 PolarHBondContact O-NE1 3.17Å; W217-C336 HydrophobicContact CH2-CB 3.7Å; W217-C336 VanDerWaalsContact CH2-O 3.24Å; W217-C336 WeakPolarHBondContact CH2-O 3.38Å; W217-C336 HydrophobicContact CZ2-CB 3.78Å; W217-C336 HydrophobicContact CZ3-CB 4.03Å; W217-L339 HydrophobicContact CE3-CD2 4.34Å; W217-L339 HydrophobicContact CH2-CB 4.07Å; W217-L339 HydrophobicContact CH2-CD2 4.15Å; W217-L339 HydrophobicContact CH2-CG 4.45Å; W217-L339 HydrophobicContact CZ3-CB 4Å; W217-L339 HydrophobicContact CZ3-CD2 3.48Å; W217-L339 VanDerWaalsContact CZ3-CD2 3.48Å; W217-L339 HydrophobicContact CZ3-CG 4.2Å; W217-L340 HydrophobicContact CH2-CD2 4.07Å; W217-L340 HydrophobicContact CH2-CG 3.83Å; W217-L340 HydrophobicContact CZ2-CD1 4.02Å; W217-L340 HydrophobicContact CZ2-CD2 3.77Å; W217-L340 HydrophobicContact CZ2-CG 3.69Å
218Q95.5Very high90.5Very high20 Ų2048.2 Ų48.29%0.09322%0.216CC..EExtended strand (participates in β ladder)trans-109.9128.6172-55.8-170.8-12.600108.1D165 T168 R169 T170 L171 V207 G208D165-Q218 VanDerWaalsContact N-OE1 3.16Å; T168-Q218 HydrophobicContact CG2-CB 4.46Å; T168-Q218 HydrophobicContact CG2-CG 3.72Å; R169-Q218 PolarHBondContact O-N 3.13Å; T170-Q218 CarbonylContact C-O 3.54Å; T170-Q218 VanDerWaalsContact CA-O 3.23Å; T170-Q218 WeakPolarHBondContact CA-O 3.32Å; T170-Q218 HydrophobicContact CG2-CB 4.33Å; L171-Q218 PolarHBondContact N-O 3.12Å; V207-Q218 HydrophobicContact CG1-CB 4.38Å; G208-Q218 CarbonylContact O-C 3.5Å
219V95.9Very high89.5Confident1 Ų152 Ų521%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-106.9117.1169.7-1750000106L171 L173 I185 V188 T189 V207 G208 M210L171-V219 HydrophobicContact CB-CG2 4.38Å; L171-V219 HydrophobicContact CD1-CG2 4.42Å; L171-V219 CarbonylContact O-C 3.53Å; L171-V219 WeakPolarHBondContact O-CA 3.37Å; L173-V219 HydrophobicContact CD1-CG1 4.04Å; L173-V219 HydrophobicContact CG-CG1 4.15Å; I185-V219 HydrophobicContact CD1-CG1 4.37Å; I185-V219 HydrophobicContact CG1-CG1 4.24Å; V188-V219 HydrophobicContact CG1-CG2 4.42Å; T189-V219 HydrophobicContact CG2-CB 3.98Å; T189-V219 HydrophobicContact CG2-CG2 3.73Å; V207-V219 CarbonylContact C-O 3.59Å; V207-V219 WeakPolarHBondContact CA-O 3.42Å; G208-V219 PolarHBondContact N-O 3.41Å; G208-V219 PolarHBondContact O-N 2.95Å; M210-V219 HydrophobicContact CE-CG2 4.1Å; M210-V219 HydrophobicContact CG-CG2 4.15Å; M210-V219 HydrophobicContact SD-CG2 3.92Å
220V94.8Very high88.3Confident0 Ų053.3 Ų53.30%025%0.249CC..EExtended strand (participates in β ladder)trans-104.5118.7179.9178.30000107.6I164 T170 L171 L172 L173 L205 F206 V207 L247I164-V220 HydrophobicContact CD1-CG1 4.38Å; I164-V220 HydrophobicContact CD1-CG2 4.39Å; I164-V220 HydrophobicContact CG2-CG2 4.4Å; T170-V220 HydrophobicContact CG2-CB 4.21Å; T170-V220 HydrophobicContact CG2-CG2 3.49Å; T170-V220 VanDerWaalsContact CG2-CG2 3.49Å; L171-V220 PolarHBondContact O-N 3.45Å; L172-V220 HydrophobicContact CD1-CB 3.63Å; L172-V220 HydrophobicContact CD1-CG1 3.57Å; L173-V220 PolarHBondContact N-O 3.34Å; L205-V220 HydrophobicContact CB-CG1 4.44Å; L205-V220 HydrophobicContact CD2-CG1 4.26Å; F206-V220 CarbonylContact O-C 3.58Å; F206-V220 VanDerWaalsContact O-CA 3.31Å; F206-V220 WeakPolarHBondContact O-CA 3.43Å; V207-V220 HydrophobicContact CG2-CG2 4.32Å; V220-L247 HydrophobicContact CG2-CD1 4.43Å
221D93.5Very high87.1Confident1 Ų162.1 Ų62.11%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-88.4128.8172.2-170.425.7000109.1L173 K181 S182 I185 L205 F206L173-D221 HydrophobicContact CD1-CB 4.44Å; K181-D221 WeakPolarHBondContact CB-OD1 3.21Å; S182-D221 WeakPolarHBondContact CA-OD2 3.31Å; S182-D221 WeakPolarHBondContact CB-OD2 3.49Å; S182-D221 PolarHBondContact OG-OD2 2.87Å; I185-D221 HydrophobicContact CD1-CB 3.87Å; I185-D221 HydrophobicContact CG2-CB 4.3Å; L205-D221 WeakPolarHBondContact CA-O 3.21Å; F206-D221 HydrophobicContact CB-CB 4.26Å; F206-D221 PolarHBondContact N-O 3.04Å; F206-D221 VanDerWaalsContact N-O 3.13Å; F206-D221 PolarHBondContact O-N 2.87Å
222T91.1Very high86.2Confident0 Ų063.6 Ų63.60%029%0.294CS..PPolyproline II helixtrans-102148.4176.175.10000110.9L172 L173 K181 L205 A240 A243L172-T222 HydrophobicContact CD1-CG2 3.4Å; L172-T222 HydrophobicContact CG-CG2 3.95Å; L173-T222 WeakPolarHBondContact O-CG2 3.17Å; L173-T222 PolarHBondContact O-OG1 2.59Å; K181-T222 WeakPolarHBondContact CE-O 3.19Å; L205-T222 HydrophobicContact CD2-CG2 3.85Å; T222-A240 HydrophobicContact CG2-CB 4.37Å; T222-A243 HydrophobicContact CG2-CB 4.49Å
223P88.8Confident85.5Confident0 Ų063.1 Ų63.10%029%0.292CS..PPolyproline II helixtrans-48.7149.4160-25.834.6000111.2T202 I236T202-P223 WeakPolarHBondContact O-CB 3.26Å; P223-I236 HydrophobicContact CB-CG2 3.43Å; P223-I236 VanDerWaalsContact CB-CG2 3.43Å; P223-I236 HydrophobicContact CG-CG2 3.73Å
224G81.8Confident85Confident4 Ų462.2 Ų62.24%0.04129%0.292CS..PPolyproline II helixtrans-60.5138.6174.200000111.1G175G175-G224 WeakPolarHBondContact O-CA 3.48Å
225I82.6Confident84.5Confident0 Ų054.8 Ų54.80%027%0.272CS..PPolyproline II helixtrans-100.2135.5177-56.5171.7000107.4G175 A240 I241 L244 L271G175-I225 PolarHBondContact O-N 3.34Å; I225-A240 HydrophobicContact CD1-CB 3.91Å; I225-A240 HydrophobicContact CG1-CB 3.75Å; I225-I241 HydrophobicContact CD1-CD1 4.13Å; I225-L244 HydrophobicContact CD1-CD1 3.61Å; I225-L271 HydrophobicContact CG2-CD1 4.08Å; I225-L271 WeakPolarHBondContact O-CD2 3.36Å
226L76.7Confident84.2Confident35 Ų3553.8 Ų53.818%0.18327%0.267CS..PPolyproline II helixtrans-103.3165.1169.6-60.1174.9000110.5Y176 P177 F200 H228 E237Y176-L226 HydrophobicContact CD1-CD2 3.99Å; Y176-L226 HydrophobicContact CE1-CD2 4.02Å; P177-L226 HydrophobicContact CG-CD2 4.03Å; F200-L226 HydrophobicContact CE2-CD1 4.49Å; F200-L226 HydrophobicContact CZ-CD1 3.85Å; L226-H228 PolarHBondContact O-N 3.18Å; L226-H228 VanDerWaalsContact O-N 3.09Å; L226-E237 WeakPolarHBondContact CB-OE1 3.39Å; L226-E237 WeakPolarHBondContact CG-OE1 3.34Å
227D71.1Confident83.7Confident70 Ų7045.9 Ų45.937%0.37424%0.237SC..SBendtrans-80.522-171.580.5-22.6000114.6L271D227-L271 HydrophobicContact CB-CD1 4.34Å
228H74.2Confident83.4Confident69 Ų6948.7 Ų48.732%0.31925%0.251SS..  trans-73.2150.8-178.1-57177.3000111.2L226 R233L226-H228 PolarHBondContact O-N 3.18Å; L226-H228 VanDerWaalsContact O-N 3.09Å; H228-R233 HydrophobicContact CB-CG 4.33Å; H228-R233 PolarHBondContact O-NE 2.94Å; H228-R233 PolarHBondContact O-NH2 3.33Å
229P73.8Confident83.1Confident80 Ų8048.2 Ų48.252%0.51925%0.249SC..  trans-52.8146.8168.7-24.533.9000111.4E231 E232 R233P229-E231 PolarHBondContact O-N 3.24Å; P229-E232 PolarHBondContact O-N 3.49Å; P229-R233 PolarHBondContact O-N 3.26Å
230L68.8Low82.8Confident105 Ų10548.1 Ų48.155%0.5525%0.248SC..G310 helixtrans-53.8-32.2-174.8-73.4168.4000113.9I241L230-I241 HydrophobicContact CD2-CG2 4.49Å
231E71.3Confident82.6Confident195 Ų19548.9 Ų48.991%0.91125%0.252SS*.G310 helixtrans-73.9-24.2-178.6-61.3-174.5175.300113.5P229P229-E231 PolarHBondContact O-N 3.24Å
232E77.6Confident82.5Confident138 Ų13849.4 Ų49.465%0.64526%0.255SS*.G310 helixtrans-100.23.5-177.2-62.5-177.9171.600112.5P229P229-E232 PolarHBondContact O-N 3.49Å
233R80.8Confident82.5Confident30 Ų3049.4 Ų49.411%0.11326%0.255CS..  trans-74.3142.2-178.4-74-178.2-169.4-174.9-1.4112.4H228 P229 E237 M238H228-R233 HydrophobicContact CB-CG 4.33Å; H228-R233 PolarHBondContact O-NE 2.94Å; H228-R233 PolarHBondContact O-NH2 3.33Å; P229-R233 PolarHBondContact O-N 3.26Å; R233-E237 WeakPolarHBondContact CA-OE2 3.33Å; R233-E237 HydrophobicContact CB-CB 4.18Å; R233-E237 HydrophobicContact CG-CB 4.5Å; R233-M238 HydrophobicContact CB-CG 4.19Å; R233-M238 HydrophobicContact CB-SD 4.08Å
234N85.3Confident82.6Confident90 Ų9049.4 Ų49.448%0.48126%0.255SS..  trans-72.6161.1178.4-71.3-44.1000111.8I236 E237 M238N234-I236 PolarHBondContact O-N 3.39Å; N234-I236 VanDerWaalsContact O-N 3.11Å; N234-E237 PolarHBondContact N-OE2 3.28Å; N234-E237 PolarHBondContact O-N 3.41Å; N234-M238 WeakPolarHBondContact O-CG 3.37Å; N234-M238 PolarHBondContact O-N 2.9Å
235T86.3Confident83Confident90 Ų9051.6 Ų51.655%0.55227%0.273SS*.Hα-helixtrans-56.3-30.717656.50000113V85 Q239V85-T235 WeakPolarHBondContact CG1-O 3.37Å; T235-Q239 WeakPolarHBondContact O-CG 3.47Å; T235-Q239 PolarHBondContact O-N 3.42Å
236I86.8Confident83.3Confident36 Ų3654.3 Ų54.319%0.18529%0.285CS..Hα-helixtrans-68.7-45.8176.7-62.4172.9000110.8F200 K203 P223 N234 Q239F200-I236 HydrophobicContact CD1-CG2 4.42Å; K203-I236 HydrophobicContact CB-CD1 4.25Å; K203-I236 HydrophobicContact CG-CD1 4.19Å; P223-I236 HydrophobicContact CB-CG2 3.43Å; P223-I236 VanDerWaalsContact CB-CG2 3.43Å; P223-I236 HydrophobicContact CG-CG2 3.73Å; N234-I236 PolarHBondContact O-N 3.39Å; N234-I236 VanDerWaalsContact O-N 3.11Å; I236-Q239 WeakPolarHBondContact O-CB 3.34Å; I236-Q239 PolarHBondContact O-N 3.4Å
237E86.2Confident84.1Confident0 Ų052.6 Ų52.60%028%0.277CS..Hα-helixtrans-69.5-37.2179.8-65.5171.1153.900110.9L226 R233 N234 Q239 A240 I241L226-E237 WeakPolarHBondContact CB-OE1 3.39Å; L226-E237 WeakPolarHBondContact CG-OE1 3.34Å; R233-E237 WeakPolarHBondContact CA-OE2 3.33Å; R233-E237 HydrophobicContact CB-CB 4.18Å; R233-E237 HydrophobicContact CG-CB 4.5Å; N234-E237 PolarHBondContact N-OE2 3.28Å; N234-E237 PolarHBondContact O-N 3.41Å; E237-Q239 PolarHBondContact O-N 2.62Å; E237-A240 WeakPolarHBondContact O-CB 3.39Å; E237-A240 PolarHBondContact O-N 3.38Å; E237-I241 PolarHBondContact O-N 2.68Å
238M88.2Confident84.9Confident59 Ų5957.2 Ų57.229%0.29129%0.289SS..Hα-helixtrans-61.5-27175.4-72.3-58.5-70.500112.8V85 R233 N234 I241 T242V85-M238 HydrophobicContact CG1-CB 3.72Å; V85-M238 HydrophobicContact CG2-CB 4.05Å; R233-M238 HydrophobicContact CB-CG 4.19Å; R233-M238 HydrophobicContact CB-SD 4.08Å; N234-M238 WeakPolarHBondContact O-CG 3.37Å; N234-M238 PolarHBondContact O-N 2.9Å; M238-I241 PolarHBondContact O-N 3.2Å; M238-T242 WeakPolarHBondContact O-CB 3.5Å; M238-T242 PolarHBondContact O-N 2.97Å; M238-T242 PolarHBondContact O-OG1 2.87Å
239Q90.5Very high85.8Confident9 Ų954 Ų544%0.04227%0.274CS..Hα-helixtrans-66.4-42.1170.9-66.3170.843.200112L82 V85 L86 T235 I236 E237 I241 T242 A243L82-Q239 HydrophobicContact CD1-CB 4.2Å; L82-Q239 HydrophobicContact CD1-CG 3.82Å; V85-Q239 HydrophobicContact CG1-CG 4.31Å; L86-Q239 HydrophobicContact CD2-CG 4.33Å; L86-Q239 VanDerWaalsContact CD2-NE2 3.3Å; T235-Q239 WeakPolarHBondContact O-CG 3.47Å; T235-Q239 PolarHBondContact O-N 3.42Å; I236-Q239 WeakPolarHBondContact O-CB 3.34Å; I236-Q239 PolarHBondContact O-N 3.4Å; E237-Q239 PolarHBondContact O-N 2.62Å; Q239-I241 VanDerWaalsContact C-N 3.34Å; Q239-T242 PolarHBondContact O-N 3.35Å; Q239-A243 PolarHBondContact O-N 3.25Å
240A89.7Confident86.8Confident0 Ų050.4 Ų50.40%025%0.251CS..Hα-helixtrans-63.7-41.7176.700000110.8T222 I225 E237 A243 L244T222-A240 HydrophobicContact CG2-CB 4.37Å; I225-A240 HydrophobicContact CD1-CB 3.91Å; I225-A240 HydrophobicContact CG1-CB 3.75Å; E237-A240 WeakPolarHBondContact O-CB 3.39Å; E237-A240 PolarHBondContact O-N 3.38Å; A240-A243 PolarHBondContact O-N 3.18Å; A240-L244 WeakPolarHBondContact O-CB 3.39Å; A240-L244 PolarHBondContact O-N 2.81Å
241I89.6Confident88.1Confident16 Ų1645.4 Ų45.48%0.08223%0.225CC..Hα-helixtrans-64.9-40.3175-60-57.4000112.1I225 L230 E237 M238 Q239 A243 L244 A245 L278I225-I241 HydrophobicContact CD1-CD1 4.13Å; L230-I241 HydrophobicContact CD2-CG2 4.49Å; E237-I241 PolarHBondContact O-N 2.68Å; M238-I241 PolarHBondContact O-N 3.2Å; Q239-I241 VanDerWaalsContact C-N 3.34Å; I241-A243 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 3.36Å; I241-L244 HydrophobicContact CD1-CD1 4.32Å; I241-L244 CarbonylContact O-C 3.59Å; I241-L244 PolarHBondContact O-N 3.01Å; I241-A245 WeakPolarHBondContact O-CB 3.38Å; I241-A245 PolarHBondContact O-N 2.7Å; I241-L278 HydrophobicContact CD1-CD1 3.83Å; I241-L278 HydrophobicContact CG2-CD1 4.3Å
242T91.1Very high89.2Confident11 Ų1136.2 Ų36.27%0.06718%0.182CC..Hα-helixtrans-62.3-42.4176.1-57.40000111.4F78 D81 L82 M238 Q239 A245 H246F78-T242 HydrophobicContact CD2-CG2 4.18Å; F78-T242 HydrophobicContact CE2-CG2 4.41Å; D81-T242 HydrophobicContact CB-CG2 3.82Å; L82-T242 HydrophobicContact CB-CG2 4.24Å; M238-T242 WeakPolarHBondContact O-CB 3.5Å; M238-T242 PolarHBondContact O-N 2.97Å; M238-T242 PolarHBondContact O-OG1 2.87Å; Q239-T242 PolarHBondContact O-N 3.35Å; T242-A245 PolarHBondContact O-N 2.96Å; T242-H246 PolarHBondContact O-CD2 3.24Å; T242-H246 PolarHBondContact O-N 3.32Å; T242-H246 VanDerWaalsContact O-N 3.17Å
243A92.1Very high90Very high0 Ų029.7 Ų29.70%015%0.151CC..Hα-helixtrans-63.5-45.5173.700000111.5F78 L172 L205 T222 Q239 A240 I241 A245 L247F78-A243 HydrophobicContact CE2-CB 4.19Å; L172-A243 HydrophobicContact CD1-CB 4.17Å; L172-A243 HydrophobicContact CD2-CB 4.47Å; L205-A243 HydrophobicContact CD1-CB 3.98Å; L205-A243 HydrophobicContact CD2-CB 4.03Å; T222-A243 HydrophobicContact CG2-CB 4.49Å; Q239-A243 PolarHBondContact O-N 3.25Å; A240-A243 PolarHBondContact O-N 3.18Å; I241-A243 VanDerWaalsContact C-N 3.34Å; I241-A243 PolarHBondContact O-N 3.36Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 3.36Å; A243-L247 HydrophobicContact CB-CD1 3.84Å; A243-L247 HydrophobicContact CB-CG 4.48Å; A243-L247 WeakPolarHBondContact O-CB 3.41Å; A243-L247 VanDerWaalsContact O-CG 3.23Å; A243-L247 WeakPolarHBondContact O-CG 3.15Å; A243-L247 PolarHBondContact O-N 3.06Å
244L90Very high90.7Very high0 Ų028.3 Ų28.30%015%0.146CC..Hα-helixtrans-64.2-32.9178-89.4172.1000113.7L172 I225 A240 I241 V251 F279 K282L172-L244 HydrophobicContact CD2-CB 4.38Å; L172-L244 HydrophobicContact CD2-CD2 3.53Å; L172-L244 HydrophobicContact CD2-CG 3.77Å; I225-L244 HydrophobicContact CD1-CD1 3.61Å; A240-L244 WeakPolarHBondContact O-CB 3.39Å; A240-L244 PolarHBondContact O-N 2.81Å; I241-L244 HydrophobicContact CD1-CD1 4.32Å; I241-L244 CarbonylContact O-C 3.59Å; I241-L244 PolarHBondContact O-N 3.01Å; L244-V251 HydrophobicContact CD2-CG1 4.19Å; L244-V251 HydrophobicContact CD2-CG2 3.99Å; L244-F279 HydrophobicContact CD1-CE1 4.34Å; L244-F279 HydrophobicContact CD2-CD1 4Å; L244-F279 HydrophobicContact CD2-CE1 3.55Å; L244-K282 PolarHBondContact O-NZ 3.42Å
245A89.8Confident91.1Very high50 Ų5024.1 Ų24.141%0.41312%0.124SC..Hα-helixtrans-75.6-53.7178.700000110.8I241 T242 A243 K282I241-A245 WeakPolarHBondContact O-CB 3.38Å; I241-A245 PolarHBondContact O-N 2.7Å; T242-A245 PolarHBondContact O-N 2.96Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 3.36Å; A245-K282 PolarHBondContact O-NZ 3.15Å; A245-K282 VanDerWaalsContact O-NZ 3.14Å
246H90.8Very high91.4Very high57 Ų5719.8 Ų19.826%0.26410%0.097SC..Hα-helixtrans-91.7-24.8-165.2-68.4-72.4000115.6F78 D81 T242F78-H246 HydrophobicContact CB-CB 3.71Å; F78-H246 HydrophobicContact CD2-CB 4.02Å; F78-H246 HydrophobicContact CG-CB 4.32Å; D81-H246 IonicContact OD2-CD2 2.68Å; D81-H246 IonicContact OD2-CE1 3.11Å; D81-H246 PolarHBondContact OD2-CE1 3.47Å; D81-H246 IonicContact OD2-NE2 3.12Å; D81-H246 PolarHBondContact OD2-NE2 3.15Å; T242-H246 PolarHBondContact O-CD2 3.24Å; T242-H246 PolarHBondContact O-N 3.32Å; T242-H246 VanDerWaalsContact O-N 3.17Å
247L91.9Very high91.6Very high0 Ų018.1 Ų18.10%09%0.089CC..  trans-77131.5-177.6-60.9177.9000110.8F78 I164 P166 T170 L172 V220 A243 S249 K282F78-L247 HydrophobicContact CD1-CD2 4.28Å; F78-L247 HydrophobicContact CD2-CD2 4.06Å; F78-L247 HydrophobicContact CD2-CG 4.26Å; F78-L247 HydrophobicContact CE1-CD2 4.31Å; F78-L247 HydrophobicContact CE2-CD1 4.38Å; F78-L247 HydrophobicContact CE2-CD2 4.11Å; F78-L247 HydrophobicContact CE2-CG 4.15Å; F78-L247 HydrophobicContact CG-CD2 4.15Å; F78-L247 HydrophobicContact CZ-CD2 4.22Å; I164-L247 HydrophobicContact CG2-CD1 4.4Å; I164-L247 HydrophobicContact CG2-CD2 3.79Å; P166-L247 HydrophobicContact CB-CD2 4.02Å; T170-L247 HydrophobicContact CG2-CD1 4.48Å; L172-L247 HydrophobicContact CD1-CD1 4.19Å; V220-L247 HydrophobicContact CG2-CD1 4.43Å; A243-L247 HydrophobicContact CB-CD1 3.84Å; A243-L247 HydrophobicContact CB-CG 4.48Å; A243-L247 WeakPolarHBondContact O-CB 3.41Å; A243-L247 VanDerWaalsContact O-CG 3.23Å; A243-L247 WeakPolarHBondContact O-CG 3.15Å; A243-L247 PolarHBondContact O-N 3.06Å; L247-S249 VanDerWaalsContact C-N 3.29Å; L247-S249 PolarHBondContact O-N 3.49Å; L247-S249 VanDerWaalsContact O-N 3.09Å; L247-K282 PolarHBondContact O-NZ 3.04Å
248R89.1Confident91.7Very high167 Ų16718.7 Ų18.763%0.639%0.093SC*.  trans-84.676.1171.9-67.9-176.7-179.7155-2109.9
249S92.4Very high91.7Very high2 Ų219.5 Ų19.51%0.01410%0.096CC..EExtended strand (participates in β ladder)trans-115.6166.2-173.153.30000113.1T170 L247T170-S249 CarbonylContact O-C 3.45Å; T170-S249 WeakPolarHBondContact O-CA 3.4Å; T170-S249 WeakPolarHBondContact O-CB 3.39Å; L247-S249 VanDerWaalsContact C-N 3.29Å; L247-S249 PolarHBondContact O-N 3.49Å; L247-S249 VanDerWaalsContact O-N 3.09Å
250A94.9Very high91.6Very high4 Ų424.9 Ų24.93%0.03312%0.121CC..EExtended strand (participates in β ladder)trans-83.3136.6151.500000108.4T170 L171 L172 P283 L339T170-A250 PolarHBondContact O-N 2.86Å; L171-A250 WeakPolarHBondContact CA-O 3.41Å; L171-A250 HydrophobicContact CD2-CB 3.72Å; L172-A250 PolarHBondContact N-O 2.88Å; A250-P283 WeakPolarHBondContact CA-O 3.4Å; A250-P283 HydrophobicContact CB-CG 3.79Å; A250-L339 HydrophobicContact CB-CB 4.16Å; A250-L339 HydrophobicContact CB-CD1 4.33Å; A250-L339 HydrophobicContact CB-CD2 4.41Å
251V95Very high91.4Very high0 Ų025.7 Ų25.70%013%0.126CC..EExtended strand (participates in β ladder)trans-100.2122.9179.2-1800000108.2C174 L244 F279 K282 P283 L284 L285C174-V251 HydrophobicContact CB-CG1 4.39Å; L244-V251 HydrophobicContact CD2-CG1 4.19Å; L244-V251 HydrophobicContact CD2-CG2 3.99Å; V251-F279 HydrophobicContact CB-CD1 4.44Å; V251-F279 HydrophobicContact CB-CE1 4.5Å; V251-F279 HydrophobicContact CG1-CD1 4.13Å; V251-F279 HydrophobicContact CG1-CE1 3.71Å; V251-F279 HydrophobicContact CG1-CZ 4.1Å; V251-F279 HydrophobicContact CG2-CD1 4.12Å; V251-F279 HydrophobicContact CG2-CE1 4.42Å; V251-K282 HydrophobicContact CG2-CB 4.36Å; V251-K282 HydrophobicContact CG2-CD 4.15Å; V251-P283 PolarHBondContact N-O 3.37Å; V251-L284 HydrophobicContact CB-CD2 3.82Å; V251-L284 HydrophobicContact CG1-CD2 4.13Å; V251-L285 PolarHBondContact O-N 2.99Å
252L95.4Very high91.2Very high1 Ų127.7 Ų27.71%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-102.8109.3172.2-6779.9000106.8L171 L172 L173 C174 F184 L285 V287 V331 A335L171-L252 HydrophobicContact CB-CD1 3.81Å; L171-L252 HydrophobicContact CD1-CD1 4.42Å; L171-L252 HydrophobicContact CD2-CD1 4.21Å; L171-L252 HydrophobicContact CG-CD1 4.37Å; L172-L252 PolarHBondContact O-N 2.67Å; L173-L252 HydrophobicContact CD2-CB 3.97Å; L173-L252 HydrophobicContact CD2-CD2 4.07Å; L173-L252 HydrophobicContact CD2-CG 4.46Å; C174-L252 PolarHBondContact N-O 3.13Å; F184-L252 HydrophobicContact CE1-CD2 4.15Å; F184-L252 HydrophobicContact CZ-CD2 4.31Å; L252-L285 WeakPolarHBondContact CA-O 3.42Å; L252-V287 HydrophobicContact CB-CG2 4.2Å; L252-V287 HydrophobicContact CD2-CG2 4.2Å; L252-V287 HydrophobicContact CG-CG2 4.5Å; L252-V331 HydrophobicContact CD2-CG1 3.48Å; L252-V331 VanDerWaalsContact CD2-CG1 3.48Å; L252-A335 HydrophobicContact CD1-CB 4.19Å; L252-A335 HydrophobicContact CD2-CB 4.31Å; L252-A335 HydrophobicContact CG-CB 4.35Å
253Y95.1Very high91.1Very high1 Ų130.1 Ų30.10%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-90.4111.6175.4-168.4-103.4000108.8C174 M255 Q268 F272 I275 L285 I286 V287C174-Y253 HydrophobicContact CB-CD2 4.4Å; C174-Y253 CarbonylContact O-C 3.58Å; C174-Y253 WeakPolarHBondContact O-CA 3.23Å; Y253-M255 HydrophobicContact CD1-CG 3.62Å; Y253-M255 HydrophobicContact CD1-SD 4.14Å; Y253-M255 HydrophobicContact CE1-CG 3.56Å; Y253-M255 HydrophobicContact CE1-SD 4.09Å; Y253-Q268 PolarHBondContact OH-O 3.44Å; Y253-F272 HydrophobicContact CD1-CB 4.27Å; Y253-F272 AromaticContact CD1-CD2 3.76Å; Y253-F272 HydrophobicContact CD1-CD2 3.76Å; Y253-F272 HydrophobicContact CD1-CG 4.35Å; Y253-F272 HydrophobicContact CD2-CD2 4.1Å; Y253-F272 HydrophobicContact CE1-CB 3.7Å; Y253-F272 HydrophobicContact CE1-CD2 4.07Å; Y253-F272 HydrophobicContact CE1-CG 4.26Å; Y253-F272 HydrophobicContact CE2-CB 4.39Å; Y253-F272 HydrophobicContact CE2-CD2 4.4Å; Y253-F272 AromaticContact CG-CD2 3.77Å; Y253-F272 HydrophobicContact CG-CD2 3.77Å; Y253-F272 HydrophobicContact CG-CE2 4.42Å; Y253-F272 PolarHBondContact OH-N 2.7Å; Y253-I275 HydrophobicContact CD2-CD1 4.13Å; Y253-I275 HydrophobicContact CE2-CD1 3.69Å; Y253-L285 PolarHBondContact N-O 2.62Å; Y253-I286 WeakPolarHBondContact O-CA 3.36Å; Y253-V287 PolarHBondContact O-N 3.39Å
254V94.8Very high91Very high2 Ų232.7 Ų32.71%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-92.4117.4-176.5-173.30000108.9C174 V179 K181 V287 N289C174-V254 PolarHBondContact O-N 2.85Å; V179-V254 HydrophobicContact CB-CG1 4.19Å; V179-V254 HydrophobicContact CG2-CB 3.89Å; V179-V254 HydrophobicContact CG2-CG1 3.78Å; K181-V254 HydrophobicContact CG-CB 4.14Å; K181-V254 HydrophobicContact CG-CG2 4.08Å; V254-V287 WeakPolarHBondContact CA-O 3.13Å; V254-V287 HydrophobicContact CG2-CB 4.3Å; V254-N289 HydrophobicContact CG1-CB 3.76Å
255M93.4Very high91Very high1 Ų132.8 Ų32.81%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-107142.3174.7-65.4-178.973.600109.6Y253 L265 Q268 I286 V287 N289 F307Y253-M255 HydrophobicContact CD1-CG 3.62Å; Y253-M255 HydrophobicContact CD1-SD 4.14Å; Y253-M255 HydrophobicContact CE1-CG 3.56Å; Y253-M255 HydrophobicContact CE1-SD 4.09Å; M255-L265 HydrophobicContact CE-CD2 4.27Å; M255-Q268 VanDerWaalsContact CA-OE1 3.24Å; M255-Q268 HydrophobicContact CE-CB 3.82Å; M255-I286 HydrophobicContact CG-CG2 4.27Å; M255-I286 HydrophobicContact SD-CG2 3.74Å; M255-V287 PolarHBondContact N-O 3.11Å; M255-N289 PolarHBondContact O-N 2.99Å; M255-F307 HydrophobicContact CE-CE1 4.37Å; M255-F307 HydrophobicContact SD-CE1 4.12Å
256D93.4Very high91Very high0 Ų036.7 Ų36.70%019%0.188CC..EExtended strand (participates in β ladder)trans-98.1111.5175.2-179.83.1000109.9V179 S258 Q260 C261 Q268 K290V179-D256 HydrophobicContact CB-CB 4.2Å; V179-D256 HydrophobicContact CG1-CB 4.02Å; D256-S258 VanDerWaalsContact C-N 3.27Å; D256-S258 PolarHBondContact O-N 3.14Å; D256-S258 WeakPolarHBondContact OD1-CB 3.31Å; D256-S258 PolarHBondContact OD1-N 3.19Å; D256-S258 PolarHBondContact OD1-OG 3.13Å; D256-S258 PolarHBondContact OD2-OG 2.91Å; D256-Q260 PolarHBondContact OD2-N 2.99Å; D256-C261 HydrophobicContact CB-CB 4.14Å; D256-C261 WeakPolarHBondContact OD2-CB 3.33Å; D256-C261 PolarHBondContact OD2-N 3.14Å; D256-Q268 PolarHBondContact O-NE2 3.37Å; D256-Q268 VanDerWaalsContact O-NE2 3.1Å; D256-K290 WeakPolarHBondContact OD1-CD 3.43Å; D256-K290 IonicContact OD1-NZ 3.59Å; D256-K290 WeakPolarHBondContact OD2-CE 3.46Å; D256-K290 IonicContact OD2-NZ 3.43Å; D256-K290 PolarHBondContact OD2-NZ 3.28Å
257V90.8Very high90.9Very high1 Ų137.4 Ų37.41%0.00619%0.191CC..THydrogen-bonded Turntrans-71.6-23.3-179.8-175.70000112.3A288 N289 K294 L299V257-A288 HydrophobicContact CG2-CB 3.64Å; V257-N289 PolarHBondContact N-O 2.74Å; V257-K294 HydrophobicContact CG1-CB 4.3Å; V257-L299 HydrophobicContact CG1-CD1 3.74Å; V257-L299 HydrophobicContact CG1-CD2 3.78Å; V257-L299 HydrophobicContact CG1-CG 4.01Å
258S88.7Confident90.9Very high12 Ų1237.5 Ų37.58%0.08419%0.192CC..THydrogen-bonded Turntrans-85.2-11.3-17673.70000114D256 Q260D256-S258 VanDerWaalsContact C-N 3.27Å; D256-S258 PolarHBondContact O-N 3.14Å; D256-S258 WeakPolarHBondContact OD1-CB 3.31Å; D256-S258 PolarHBondContact OD1-N 3.19Å; D256-S258 PolarHBondContact OD1-OG 3.13Å; D256-S258 PolarHBondContact OD2-OG 2.91Å; S258-Q260 PolarHBondContact O-N 3.21Å; S258-Q260 VanDerWaalsContact O-N 3.11Å; S258-Q260 WeakPolarHBondContact OG-CB 3.48Å; S258-Q260 VanDerWaalsContact OG-CG 3.28Å; S258-Q260 WeakPolarHBondContact OG-CG 3.49Å; S258-Q260 PolarHBondContact OG-N 3.02Å
259E87.6Confident91Very high75 Ų7531.4 Ų31.435%0.3517%0.171SC..  trans60.19.2-172.3-52.6-171.7134.500115.1C261 G262 T264 L265E259-C261 PolarHBondContact O-N 3.13Å; E259-C261 VanDerWaalsContact O-N 3.13Å; E259-G262 PolarHBondContact O-N 3.13Å; E259-G262 VanDerWaalsContact O-N 3.13Å; E259-T264 WeakPolarHBondContact OE1-CA 3.13Å; E259-L265 HydrophobicContact CG-CG 4.44Å; E259-L265 PolarHBondContact OE1-N 2.99Å
260Q87.6Confident90.9Very high123 Ų12336.3 Ų36.358%0.57519%0.194SC*.THydrogen-bonded Turntrans-66.3-14.5177.7-69.2178.1-6.300113.6D256 S258 G262D256-Q260 PolarHBondContact OD2-N 2.99Å; S258-Q260 PolarHBondContact O-N 3.21Å; S258-Q260 VanDerWaalsContact O-N 3.11Å; S258-Q260 WeakPolarHBondContact OG-CB 3.48Å; S258-Q260 VanDerWaalsContact OG-CG 3.28Å; S258-Q260 WeakPolarHBondContact OG-CG 3.49Å; S258-Q260 PolarHBondContact OG-N 3.02Å; Q260-G262 PolarHBondContact O-N 3.33Å
261C86.1Confident90.6Very high16 Ų1636.1 Ų36.111%0.10819%0.192CC..THydrogen-bonded Turntrans-67.4-10.6172.869.40000113.8N178 V179 D256 E259N178-C261 HydrophobicContact CB-CB 4.28Å; V179-C261 HydrophobicContact CG1-CB 3.95Å; D256-C261 HydrophobicContact CB-CB 4.14Å; D256-C261 WeakPolarHBondContact OD2-CB 3.33Å; D256-C261 PolarHBondContact OD2-N 3.14Å; E259-C261 PolarHBondContact O-N 3.13Å; E259-C261 VanDerWaalsContact O-N 3.13Å
262G85.8Confident90.3Very high59 Ų5936.1 Ų36.161%0.60819%0.192SC*.SBendtrans8816.5178.600000114.2E259 Q260E259-G262 PolarHBondContact O-N 3.13Å; E259-G262 VanDerWaalsContact O-N 3.13Å; Q260-G262 PolarHBondContact O-N 3.33Å
263Q88.1Confident90Very high62 Ų6239.4 Ų39.429%0.2921%0.21SC..SBendtrans-137.1143.2177.3-59.2-70.6-47.500109.3Y176 Q267 Q268Y176-Q263 HydrophobicContact CD1-CB 4.4Å; Y176-Q263 HydrophobicContact CD1-CG 3.65Å; Y176-Q263 HydrophobicContact CE1-CB 4.4Å; Y176-Q263 HydrophobicContact CE1-CG 3.67Å; Y176-Q263 HydrophobicContact CG-CG 4.28Å; Q263-Q267 HydrophobicContact CB-CB 4.44Å; Q263-Q268 HydrophobicContact CB-CG 4.49Å; Q263-Q268 PolarHBondContact O-NE2 3.36Å
264T91.3Very high89.7Confident54 Ų5443.5 Ų43.533%0.33123%0.232SC..  trans-74.1161.6179.6640000111.5E259 E266 Q267 Q268E259-T264 WeakPolarHBondContact OE1-CA 3.13Å; T264-E266 PolarHBondContact O-N 3.4Å; T264-Q267 PolarHBondContact O-N 3.42Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.42Å; T264-Q267 PolarHBondContact OG1-N 2.94Å; T264-Q267 PolarHBondContact OG1-OE1 2.9Å; T264-Q268 WeakPolarHBondContact O-CG 3.49Å; T264-Q268 PolarHBondContact O-N 2.7Å
265L89.3Confident89.3Confident2 Ų243.5 Ų43.51%0.0123%0.232CC..Hα-helixtrans-59.9-34.6175.6-74.9172.1000112.9M255 E259 Q268 L269 L299 D303 I306 F307M255-L265 HydrophobicContact CE-CD2 4.27Å; E259-L265 HydrophobicContact CG-CG 4.44Å; E259-L265 PolarHBondContact OE1-N 2.99Å; L265-Q268 WeakPolarHBondContact O-CB 3.44Å; L265-Q268 PolarHBondContact O-N 3.23Å; L265-L269 PolarHBondContact O-N 2.93Å; L265-L299 HydrophobicContact CD1-CD1 4.35Å; L265-L299 HydrophobicContact CD1-CD2 4.34Å; L265-D303 HydrophobicContact CD1-CB 3.85Å; L265-I306 HydrophobicContact CB-CD1 4.5Å; L265-F307 HydrophobicContact CD1-CE2 4.47Å; L265-F307 HydrophobicContact CD2-CZ 4.18Å
266E89.5Confident89Confident132 Ų13248.2 Ų48.262%0.61725%0.25SC*.Hα-helixtrans-61.9-45.6175.1-63.6-177.6161.300112.2T264 Q268 L269 E270T264-E266 PolarHBondContact O-N 3.4Å; E266-Q268 VanDerWaalsContact C-N 3.32Å; E266-Q268 PolarHBondContact O-N 3.26Å; E266-L269 WeakPolarHBondContact O-CB 3.45Å; E266-L269 PolarHBondContact O-N 3.05Å; E266-L269 VanDerWaalsContact O-N 3.16Å; E266-E270 PolarHBondContact O-N 3.03Å
267Q89.6Confident88.8Confident72 Ų7253 Ų5334%0.33628%0.281SS..Hα-helixtrans-64-39.5176.1-70.6169.3-26.300111.2Y176 Q263 T264 L269 E270 L271Y176-Q267 PolarHBondContact OH-O 3.13Å; Q263-Q267 HydrophobicContact CB-CB 4.44Å; T264-Q267 PolarHBondContact O-N 3.42Å; T264-Q267 WeakPolarHBondContact OG1-CG 3.42Å; T264-Q267 PolarHBondContact OG1-N 2.94Å; T264-Q267 PolarHBondContact OG1-OE1 2.9Å; Q267-L269 VanDerWaalsContact C-N 3.27Å; Q267-L269 PolarHBondContact O-N 2.64Å; Q267-E270 PolarHBondContact O-N 3.48Å; Q267-L271 PolarHBondContact O-N 3.04Å
268Q91.2Very high88.5Confident1 Ų155.5 Ų55.51%0.00529%0.294CS..Hα-helixtrans-60.3-37.4173.9-67.5-177.358.400112.6Y176 Y253 M255 D256 Q263 T264 L265 E266 F272Y176-Q268 HydrophobicContact CD2-CB 4.35Å; Y176-Q268 HydrophobicContact CD2-CG 3.77Å; Y176-Q268 HydrophobicContact CE2-CB 4.39Å; Y176-Q268 HydrophobicContact CE2-CG 4.1Å; Y253-Q268 PolarHBondContact OH-O 3.44Å; M255-Q268 VanDerWaalsContact CA-OE1 3.24Å; M255-Q268 HydrophobicContact CE-CB 3.82Å; D256-Q268 PolarHBondContact O-NE2 3.37Å; D256-Q268 VanDerWaalsContact O-NE2 3.1Å; Q263-Q268 HydrophobicContact CB-CG 4.49Å; Q263-Q268 PolarHBondContact O-NE2 3.36Å; T264-Q268 WeakPolarHBondContact O-CG 3.49Å; T264-Q268 PolarHBondContact O-N 2.7Å; L265-Q268 WeakPolarHBondContact O-CB 3.44Å; L265-Q268 PolarHBondContact O-N 3.23Å; E266-Q268 VanDerWaalsContact C-N 3.32Å; E266-Q268 PolarHBondContact O-N 3.26Å; Q268-F272 PolarHBondContact O-N 2.78Å
269L90.7Very high88.3Confident39 Ų3955.2 Ų55.220%0.20429%0.291CS..Hα-helixtrans-73.2-40.3175.2-173.172.1000112.3L265 E266 Q267 F272 N273 I306 L310L265-L269 PolarHBondContact O-N 2.93Å; E266-L269 WeakPolarHBondContact O-CB 3.45Å; E266-L269 PolarHBondContact O-N 3.05Å; E266-L269 VanDerWaalsContact O-N 3.16Å; Q267-L269 VanDerWaalsContact C-N 3.27Å; Q267-L269 PolarHBondContact O-N 2.64Å; L269-F272 WeakPolarHBondContact O-CB 3.28Å; L269-F272 PolarHBondContact O-N 2.72Å; L269-N273 PolarHBondContact O-N 2.97Å; L269-N273 PolarHBondContact O-ND2 3.45Å; L269-I306 HydrophobicContact CB-CG2 4.46Å; L269-I306 HydrophobicContact CD1-CG2 3.74Å; L269-I306 HydrophobicContact CD2-CG1 4.45Å; L269-I306 HydrophobicContact CD2-CG2 3.77Å; L269-I306 HydrophobicContact CG-CG2 4.19Å; L269-L310 HydrophobicContact CD1-CD1 4.02Å; L269-L310 HydrophobicContact CD1-CD2 4.13Å; L269-L310 HydrophobicContact CD1-CG 4.32Å
270E89.9Confident88.1Confident105 Ų10554.7 Ų54.749%0.49130%0.3SS..Hα-helixtrans-60.6-46.3176.8-176.1170.2-165.400111.1E266 Q267 F272 N273 N274E266-E270 PolarHBondContact O-N 3.03Å; Q267-E270 PolarHBondContact O-N 3.48Å; E270-F272 VanDerWaalsContact C-N 3.31Å; E270-F272 PolarHBondContact O-N 2.91Å; E270-N273 PolarHBondContact O-N 3.39Å; E270-N274 WeakPolarHBondContact O-CB 3.24Å; E270-N274 VanDerWaalsContact O-CG 3.26Å; E270-N274 PolarHBondContact O-N 3.41Å; E270-N274 PolarHBondContact O-ND2 3.02Å
271L88.6Confident88Confident0 Ų055.8 Ų55.80%031%0.31CS..Hα-helixtrans-57.4-45.9173.2177.964.4000111.3Y176 I225 D227 Q267 N273 N274 I275Y176-L271 HydrophobicContact CD2-CB 4.4Å; Y176-L271 HydrophobicContact CD2-CD2 3.49Å; Y176-L271 VanDerWaalsContact CD2-CD2 3.49Å; Y176-L271 HydrophobicContact CE1-CD2 4.38Å; Y176-L271 HydrophobicContact CE2-CB 3.47Å; Y176-L271 VanDerWaalsContact CE2-CB 3.47Å; Y176-L271 HydrophobicContact CE2-CD2 3.29Å; Y176-L271 HydrophobicContact CE2-CG 3.98Å; Y176-L271 HydrophobicContact CG-CD2 4.13Å; I225-L271 HydrophobicContact CG2-CD1 4.08Å; I225-L271 WeakPolarHBondContact O-CD2 3.36Å; D227-L271 HydrophobicContact CB-CD1 4.34Å; Q267-L271 PolarHBondContact O-N 3.04Å; L271-N273 VanDerWaalsContact C-N 3.34Å; L271-N273 PolarHBondContact O-N 3.46Å; L271-N274 PolarHBondContact O-N 3Å; L271-I275 HydrophobicContact CD1-CG2 4.13Å; L271-I275 HydrophobicContact CG-CD1 4.47Å; L271-I275 VanDerWaalsContact O-CG1 3.28Å; L271-I275 WeakPolarHBondContact O-CG1 3.4Å; L271-I275 PolarHBondContact O-N 3.5Å
272F90.3Very high88.2Confident0 Ų056.5 Ų56.50%031%0.311CS..Hα-helixtrans-57.3-47.2178.5174.7-101.7000111.5Y253 Q268 L269 E270 N274 I275 R276 F279 I286 L310 I315Y253-F272 HydrophobicContact CD1-CB 4.27Å; Y253-F272 AromaticContact CD1-CD2 3.76Å; Y253-F272 HydrophobicContact CD1-CD2 3.76Å; Y253-F272 HydrophobicContact CD1-CG 4.35Å; Y253-F272 HydrophobicContact CD2-CD2 4.1Å; Y253-F272 HydrophobicContact CE1-CB 3.7Å; Y253-F272 HydrophobicContact CE1-CD2 4.07Å; Y253-F272 HydrophobicContact CE1-CG 4.26Å; Y253-F272 HydrophobicContact CE2-CB 4.39Å; Y253-F272 HydrophobicContact CE2-CD2 4.4Å; Y253-F272 AromaticContact CG-CD2 3.77Å; Y253-F272 HydrophobicContact CG-CD2 3.77Å; Y253-F272 HydrophobicContact CG-CE2 4.42Å; Y253-F272 PolarHBondContact OH-N 2.7Å; Q268-F272 PolarHBondContact O-N 2.78Å; L269-F272 WeakPolarHBondContact O-CB 3.28Å; L269-F272 PolarHBondContact O-N 2.72Å; E270-F272 VanDerWaalsContact C-N 3.31Å; E270-F272 PolarHBondContact O-N 2.91Å; F272-N274 PolarHBondContact O-N 2.95Å; F272-I275 WeakPolarHBondContact O-CG1 3.3Å; F272-I275 PolarHBondContact O-N 3.19Å; F272-R276 WeakPolarHBondContact O-CB 3.48Å; F272-R276 PolarHBondContact O-N 2.97Å; F272-F279 AromaticContact CD2-CE2 3.91Å; F272-F279 HydrophobicContact CD2-CE2 3.91Å; F272-F279 HydrophobicContact CE2-CD2 4.22Å; F272-F279 AromaticContact CE2-CE2 3.71Å; F272-F279 HydrophobicContact CE2-CE2 3.71Å; F272-I286 HydrophobicContact CE2-CD1 4.44Å; F272-I286 HydrophobicContact CZ-CD1 4.31Å; F272-L310 HydrophobicContact CD1-CD2 4.24Å; F272-L310 HydrophobicContact CE1-CD2 3.84Å; F272-I315 HydrophobicContact CE1-CD1 4.21Å; F272-I315 HydrophobicContact CZ-CD1 3.8Å
273N89.3Confident88.6Confident71 Ų7154.8 Ų54.838%0.3829%0.289SS..Hα-helixtrans-63.9-39.7178.1-74.2-34.7000112.2L269 E270 L271 I275 R276L269-N273 PolarHBondContact O-N 2.97Å; L269-N273 PolarHBondContact O-ND2 3.45Å; E270-N273 PolarHBondContact O-N 3.39Å; L271-N273 VanDerWaalsContact C-N 3.34Å; L271-N273 PolarHBondContact O-N 3.46Å; N273-I275 PolarHBondContact O-N 3.47Å; N273-R276 VanDerWaalsContact O-CB 3.29Å; N273-R276 WeakPolarHBondContact O-CB 3.4Å; N273-R276 PolarHBondContact O-N 3.47Å
274N87.3Confident88.9Confident86 Ų8653.4 Ų53.446%0.4628%0.283SS..Hα-helixtrans-64.2-37.4177.4-74.7-24.3000112.8E270 L271 F272 P277E270-N274 WeakPolarHBondContact O-CB 3.24Å; E270-N274 VanDerWaalsContact O-CG 3.26Å; E270-N274 PolarHBondContact O-N 3.41Å; E270-N274 PolarHBondContact O-ND2 3.02Å; L271-N274 PolarHBondContact O-N 3Å; F272-N274 PolarHBondContact O-N 2.95Å; N274-P277 WeakPolarHBondContact O-CD 3.39Å
275I87.4Confident89Confident2 Ų251 Ų511%0.0127%0.268CS..Hα-helixtrans-92-9.4179.167.7-177000113.6Y253 L271 F272 N273 P277 L278 F279Y253-I275 HydrophobicContact CD2-CD1 4.13Å; Y253-I275 HydrophobicContact CE2-CD1 3.69Å; L271-I275 HydrophobicContact CD1-CG2 4.13Å; L271-I275 HydrophobicContact CG-CD1 4.47Å; L271-I275 VanDerWaalsContact O-CG1 3.28Å; L271-I275 WeakPolarHBondContact O-CG1 3.4Å; L271-I275 PolarHBondContact O-N 3.5Å; F272-I275 WeakPolarHBondContact O-CG1 3.3Å; F272-I275 PolarHBondContact O-N 3.19Å; N273-I275 PolarHBondContact O-N 3.47Å; I275-P277 VanDerWaalsContact C-N 3.28Å; I275-P277 VanDerWaalsContact O-N 3.15Å; I275-L278 HydrophobicContact CB-CD1 4.47Å; I275-L278 VanDerWaalsContact O-CB 3.31Å; I275-L278 WeakPolarHBondContact O-CB 3.48Å; I275-L278 PolarHBondContact O-N 3.36Å; I275-F279 HydrophobicContact CB-CZ 4.24Å; I275-F279 HydrophobicContact CD1-CE1 4.24Å; I275-F279 HydrophobicContact CD1-CE2 4.11Å; I275-F279 HydrophobicContact CD1-CZ 3.41Å; I275-F279 VanDerWaalsContact CD1-CZ 3.41Å; I275-F279 HydrophobicContact CG1-CE1 4.22Å; I275-F279 HydrophobicContact CG1-CE2 3.67Å; I275-F279 HydrophobicContact CG1-CZ 3.37Å
276R87Confident89.3Confident100 Ų10051 Ų5138%0.37727%0.268SS..G310 helixtrans-47.4-39.8178.5-168174.7178.5174.31.8114.2F272 N273 L278 F279 E313F272-R276 WeakPolarHBondContact O-CB 3.48Å; F272-R276 PolarHBondContact O-N 2.97Å; N273-R276 VanDerWaalsContact O-CB 3.29Å; N273-R276 WeakPolarHBondContact O-CB 3.4Å; N273-R276 PolarHBondContact O-N 3.47Å; R276-L278 PolarHBondContact O-N 3.46Å; R276-F279 WeakPolarHBondContact O-CB 3.32Å; R276-F279 PolarHBondContact O-N 3Å; R276-E313 IonicContact CZ-OE1 2.81Å; R276-E313 IonicContact CZ-OE2 2.82Å; R276-E313 IonicContact NH1-OE1 3.21Å; R276-E313 PolarHBondContact NH1-OE1 3.27Å; R276-E313 IonicContact NH1-OE2 3.88Å; R276-E313 PolarHBondContact NH1-OE2 3.31Å; R276-E313 VanDerWaalsContact NH1-OE2 3.1Å; R276-E313 IonicContact NH2-OE1 2.67Å; R276-E313 PolarHBondContact NH2-OE1 3.39Å; R276-E313 IonicContact NH2-OE2 3.9Å; R276-E313 PolarHBondContact NH2-OE2 3.12Å
277P88Confident89.5Confident100 Ų10044.7 Ų44.765%0.64924%0.239SC*.G310 helixtrans-59.6-29176.7-25.736.4000114.2N274 I275 F279N274-P277 WeakPolarHBondContact O-CD 3.39Å; I275-P277 VanDerWaalsContact C-N 3.28Å; I275-P277 VanDerWaalsContact O-N 3.15Å; P277-F279 PolarHBondContact O-N 2.9Å
278L85.3Confident89.8Confident55 Ų5541.2 Ų41.229%0.28822%0.223SC..G310 helixtrans-74.1-14.9178.8-60.1173.3000112.8I241 I275 R276 A280I241-L278 HydrophobicContact CD1-CD1 3.83Å; I241-L278 HydrophobicContact CG2-CD1 4.3Å; I275-L278 HydrophobicContact CB-CD1 4.47Å; I275-L278 VanDerWaalsContact O-CB 3.31Å; I275-L278 WeakPolarHBondContact O-CB 3.48Å; I275-L278 PolarHBondContact O-N 3.36Å; R276-L278 PolarHBondContact O-N 3.46Å; L278-A280 VanDerWaalsContact C-N 3.34Å
279F85.4Confident89.9Confident5 Ų541.2 Ų41.22%0.02222%0.223CC..G310 helixtrans-89.82.9-179-52.9-33.2000113.7L244 V251 F272 I275 R276 P277 N281 K282 L284L244-F279 HydrophobicContact CD1-CE1 4.34Å; L244-F279 HydrophobicContact CD2-CD1 4Å; L244-F279 HydrophobicContact CD2-CE1 3.55Å; V251-F279 HydrophobicContact CB-CD1 4.44Å; V251-F279 HydrophobicContact CB-CE1 4.5Å; V251-F279 HydrophobicContact CG1-CD1 4.13Å; V251-F279 HydrophobicContact CG1-CE1 3.71Å; V251-F279 HydrophobicContact CG1-CZ 4.1Å; V251-F279 HydrophobicContact CG2-CD1 4.12Å; V251-F279 HydrophobicContact CG2-CE1 4.42Å; F272-F279 AromaticContact CD2-CE2 3.91Å; F272-F279 HydrophobicContact CD2-CE2 3.91Å; F272-F279 HydrophobicContact CE2-CD2 4.22Å; F272-F279 AromaticContact CE2-CE2 3.71Å; F272-F279 HydrophobicContact CE2-CE2 3.71Å; I275-F279 HydrophobicContact CB-CZ 4.24Å; I275-F279 HydrophobicContact CD1-CE1 4.24Å; I275-F279 HydrophobicContact CD1-CE2 4.11Å; I275-F279 HydrophobicContact CD1-CZ 3.41Å; I275-F279 VanDerWaalsContact CD1-CZ 3.41Å; I275-F279 HydrophobicContact CG1-CE1 4.22Å; I275-F279 HydrophobicContact CG1-CE2 3.67Å; I275-F279 HydrophobicContact CG1-CZ 3.37Å; R276-F279 WeakPolarHBondContact O-CB 3.32Å; R276-F279 PolarHBondContact O-N 3Å; P277-F279 PolarHBondContact O-N 2.9Å; F279-N281 PolarHBondContact O-N 3.08Å; F279-K282 WeakPolarHBondContact O-CB 3.27Å; F279-K282 PolarHBondContact O-N 3.4Å; F279-L284 HydrophobicContact CB-CD1 3.78Å; F279-L284 HydrophobicContact CB-CD2 3.75Å; F279-L284 HydrophobicContact CB-CG 4.09Å; F279-L284 HydrophobicContact CD1-CD2 4.18Å; F279-L284 HydrophobicContact CD2-CD1 4.03Å; F279-L284 HydrophobicContact CD2-CD2 3.44Å; F279-L284 VanDerWaalsContact CD2-CD2 3.44Å; F279-L284 HydrophobicContact CD2-CG 4.36Å; F279-L284 HydrophobicContact CE2-CD2 3.98Å; F279-L284 HydrophobicContact CG-CD1 4.28Å; F279-L284 HydrophobicContact CG-CD2 3.55Å; F279-L284 HydrophobicContact CG-CG 4.4Å
280A82.6Confident89.9Confident64 Ų6440.8 Ų40.853%0.52922%0.219SC..THydrogen-bonded Turntrans-53.4129.9179.100000111.4L278 K282L278-A280 VanDerWaalsContact C-N 3.34Å; A280-K282 VanDerWaalsContact C-N 3.3Å; A280-K282 PolarHBondContact O-N 3.29Å
281N85.8Confident89.9Confident147 Ų14736.4 Ų36.479%0.78620%0.2SC*.THydrogen-bonded Turntrans65.122.4-176.3-49.6-63000115.6F279 H342F279-N281 PolarHBondContact O-N 3.08Å; N281-H342 PolarHBondContact O-CE1 3.47Å; N281-H342 VanDerWaalsContact O-CE1 3.31Å
282K90.9Very high90Very high31 Ų3139.6 Ų39.614%0.13522%0.217CC..SBendtrans-120.3135.5175.8-55.4-173.5-169.1-163.40110.2L244 A245 L247 V251 F279 A280 L284L244-K282 PolarHBondContact O-NZ 3.42Å; A245-K282 PolarHBondContact O-NZ 3.15Å; A245-K282 VanDerWaalsContact O-NZ 3.14Å; L247-K282 PolarHBondContact O-NZ 3.04Å; V251-K282 HydrophobicContact CG2-CB 4.36Å; V251-K282 HydrophobicContact CG2-CD 4.15Å; F279-K282 WeakPolarHBondContact O-CB 3.27Å; F279-K282 PolarHBondContact O-N 3.4Å; A280-K282 VanDerWaalsContact C-N 3.3Å; A280-K282 PolarHBondContact O-N 3.29Å; K282-L284 PolarHBondContact O-N 3.46Å
283P92.9Very high90Very high22 Ų2242.8 Ų42.814%0.14324%0.236CC..  trans-66.6132.3172.424.8-27.7000109.4A250 V251 K338 L339A250-P283 WeakPolarHBondContact CA-O 3.4Å; A250-P283 HydrophobicContact CB-CG 3.79Å; V251-P283 PolarHBondContact N-O 3.37Å; P283-K338 HydrophobicContact CB-CB 4.14Å; P283-L339 HydrophobicContact CG-CB 4.34Å; P283-L339 HydrophobicContact CG-CD1 3.7Å
284L93.7Very high90Very high33 Ų3343.7 Ų43.717%0.17324%0.237CC..EExtended strand (participates in β ladder)trans-110.7141.5-176.8-73.6161.1000110.5V251 F279 K282 I315V251-L284 HydrophobicContact CB-CD2 3.82Å; V251-L284 HydrophobicContact CG1-CD2 4.13Å; F279-L284 HydrophobicContact CB-CD1 3.78Å; F279-L284 HydrophobicContact CB-CD2 3.75Å; F279-L284 HydrophobicContact CB-CG 4.09Å; F279-L284 HydrophobicContact CD1-CD2 4.18Å; F279-L284 HydrophobicContact CD2-CD1 4.03Å; F279-L284 HydrophobicContact CD2-CD2 3.44Å; F279-L284 VanDerWaalsContact CD2-CD2 3.44Å; F279-L284 HydrophobicContact CD2-CG 4.36Å; F279-L284 HydrophobicContact CE2-CD2 3.98Å; F279-L284 HydrophobicContact CG-CD1 4.28Å; F279-L284 HydrophobicContact CG-CD2 3.55Å; F279-L284 HydrophobicContact CG-CG 4.4Å; K282-L284 PolarHBondContact O-N 3.46Å; L284-I315 HydrophobicContact CB-CG2 4.33Å
285L94.1Very high90Very high4 Ų444.1 Ų44.12%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-139.8132.8172.8-158.484.6000108.8V251 L252 Y253 V287 I318 V331 E334 A335 K338V251-L285 PolarHBondContact O-N 2.99Å; L252-L285 WeakPolarHBondContact CA-O 3.42Å; Y253-L285 PolarHBondContact N-O 2.62Å; L285-V287 HydrophobicContact CD2-CG2 4.24Å; L285-I318 HydrophobicContact CD1-CD1 4.3Å; L285-I318 HydrophobicContact CD2-CD1 3.95Å; L285-I318 HydrophobicContact CG-CD1 4.46Å; L285-V331 HydrophobicContact CD2-CB 4.4Å; L285-V331 HydrophobicContact CD2-CG1 3.87Å; L285-V331 HydrophobicContact CD2-CG2 4.35Å; L285-E334 HydrophobicContact CD1-CG 4.13Å; L285-A335 HydrophobicContact CD2-CB 4.28Å; L285-K338 HydrophobicContact CD1-CD 4.28Å
286I94.8Very high90Very high1 Ų145.5 Ų45.51%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-99.4125.2174.9-65.2175.1000108Y253 M255 F272 L310 I315 S316 V317 I318Y253-I286 WeakPolarHBondContact O-CA 3.36Å; M255-I286 HydrophobicContact CG-CG2 4.27Å; M255-I286 HydrophobicContact SD-CG2 3.74Å; F272-I286 HydrophobicContact CE2-CD1 4.44Å; F272-I286 HydrophobicContact CZ-CD1 4.31Å; I286-L310 HydrophobicContact CD1-CB 4.07Å; I286-L310 HydrophobicContact CD1-CD1 3.55Å; I286-L310 HydrophobicContact CD1-CD2 3.73Å; I286-L310 HydrophobicContact CD1-CG 3.98Å; I286-I315 HydrophobicContact CD1-CG2 3.78Å; I286-I315 HydrophobicContact CG1-CG2 3.74Å; I286-S316 PolarHBondContact N-O 2.97Å; I286-V317 HydrophobicContact CB-CG2 4.22Å; I286-V317 HydrophobicContact CG2-CG1 4.41Å; I286-V317 HydrophobicContact CG2-CG2 4.41Å; I286-V317 WeakPolarHBondContact O-CA 3.46Å; I286-I318 PolarHBondContact O-N 3.49Å
287V95.3Very high90Very high0 Ų045 Ų450%025%0.254CS..EExtended strand (participates in β ladder)trans-110.5104.3-177.4179.50000107.1L252 Y253 V254 M255 L285 N289 T320 V331L252-V287 HydrophobicContact CB-CG2 4.2Å; L252-V287 HydrophobicContact CD2-CG2 4.2Å; L252-V287 HydrophobicContact CG-CG2 4.5Å; Y253-V287 PolarHBondContact O-N 3.39Å; V254-V287 WeakPolarHBondContact CA-O 3.13Å; V254-V287 HydrophobicContact CG2-CB 4.3Å; M255-V287 PolarHBondContact N-O 3.11Å; L285-V287 HydrophobicContact CD2-CG2 4.24Å; V287-N289 PolarHBondContact O-N 3.35Å; V287-T320 HydrophobicContact CG1-CG2 3.75Å; V287-T320 WeakPolarHBondContact CG1-OG1 3.33Å; V287-V331 HydrophobicContact CG1-CG2 4.25Å; V287-V331 HydrophobicContact CG2-CG1 3.72Å; V287-V331 HydrophobicContact CG2-CG2 4.06Å
288A94.4Very high90Very high0 Ų046.6 Ų46.60%025%0.252CS..EExtended strand (participates in β ladder)trans-79.6105.1173.700000107.7V257 C291 I296 V317 I318 E319 T320V257-A288 HydrophobicContact CG2-CB 3.64Å; A288-C291 PolarHBondContact O-SG 3.17Å; A288-I296 HydrophobicContact CB-CD1 3.9Å; A288-I296 HydrophobicContact CB-CG1 4.49Å; A288-V317 HydrophobicContact CB-CG1 4.45Å; A288-I318 PolarHBondContact N-O 3.47Å; A288-E319 CarbonylContact O-C 3.6Å; A288-T320 PolarHBondContact O-N 3.11Å; A288-T320 PolarHBondContact O-OG1 3.23Å
289N93.6Very high90Very high1 Ų144.8 Ų44.81%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-100.6161.8-176-165.829.3000111.7V179 V254 M255 V257 V287 T320V179-N289 PolarHBondContact O-ND2 2.85Å; V254-N289 HydrophobicContact CG1-CB 3.76Å; M255-N289 PolarHBondContact O-N 2.99Å; V257-N289 PolarHBondContact N-O 2.74Å; V287-N289 PolarHBondContact O-N 3.35Å; N289-T320 CarbonylContact C-O 3.55Å; N289-T320 VanDerWaalsContact CA-O 3.32Å; N289-T320 WeakPolarHBondContact CA-O 3.36Å; N289-T320 WeakPolarHBondContact CA-OG1 3.36Å; N289-T320 PolarHBondContact OD1-O 3.02Å
290K91.9Very high90.1Very high30 Ų3048.4 Ų48.413%0.1327%0.265CS..  trans67.434-175.9-49.9-169.5-164.4161.70114.3N178 D256 D292 V293 T320N178-K290 PolarHBondContact O-NZ 2.91Å; N178-K290 VanDerWaalsContact O-NZ 3.14Å; D256-K290 WeakPolarHBondContact OD1-CD 3.43Å; D256-K290 IonicContact OD1-NZ 3.59Å; D256-K290 WeakPolarHBondContact OD2-CE 3.46Å; D256-K290 IonicContact OD2-NZ 3.43Å; D256-K290 PolarHBondContact OD2-NZ 3.28Å; K290-D292 WeakPolarHBondContact CA-OD1 3.06Å; K290-D292 PolarHBondContact O-N 3Å; K290-D292 VanDerWaalsContact O-N 3.12Å; K290-V293 PolarHBondContact O-N 3.25Å; K290-T320 PolarHBondContact N-O 3.16Å; K290-T320 VanDerWaalsContact N-O 3.15Å
291C90.4Very high90.3Very high12 Ų1252.5 Ų52.58%0.08127%0.274CS..THydrogen-bonded Turntrans-65.8-9.7176.5-62.80000114.2A288 V293 K294 K295 E319 T320A288-C291 PolarHBondContact O-SG 3.17Å; C291-V293 VanDerWaalsContact C-N 3.28Å; C291-K294 WeakPolarHBondContact CA-O 3.39Å; C291-K295 WeakPolarHBondContact O-CG 3.49Å; C291-E319 HydrophobicContact CB-CB 4.35Å; C291-E319 VanDerWaalsContact SG-CB 3.56Å; C291-T320 PolarHBondContact N-O 3.04Å
292D89.9Confident90.3Very high68 Ų6852.3 Ų52.336%0.36427%0.268SS..THydrogen-bonded Turntrans-68-25.6169.652.2-66.5000113.2K290 S321 L323 T324K290-D292 WeakPolarHBondContact CA-OD1 3.06Å; K290-D292 PolarHBondContact O-N 3Å; K290-D292 VanDerWaalsContact O-N 3.12Å; D292-S321 WeakPolarHBondContact OD1-CB 3.35Å; D292-S321 PolarHBondContact OD1-OG 3.06Å; D292-L323 WeakPolarHBondContact OD2-CD2 3.42Å; D292-T324 HydrophobicContact CB-CG2 4.18Å
293V89.9Confident90.1Very high67 Ų6752.1 Ų52.141%0.40627%0.269SS..THydrogen-bonded Turntrans-92.3-46.7178.6-178.10000111.6K290 C291K290-V293 PolarHBondContact O-N 3.25Å; C291-V293 VanDerWaalsContact C-N 3.28Å
294K88.6Confident89.8Confident90 Ų9054.4 Ų54.439%0.39128%0.277SS..  trans-142.9130.2177-75.4-174-177.8175.10109.7V257 C291V257-K294 HydrophobicContact CG1-CB 4.3Å; C291-K294 WeakPolarHBondContact CA-O 3.39Å
295K88.1Confident89.6Confident95 Ų9558.6 Ų58.641%0.41329%0.294SS..  trans-87.9157.1172.9-66.1-176.2176.9-176.20111.3C291 S297 E298C291-K295 WeakPolarHBondContact O-CG 3.49Å; K295-S297 PolarHBondContact O-N 2.83Å; K295-E298 HydrophobicContact CB-CG 4.36Å; K295-E298 PolarHBondContact N-OE2 3.46Å; K295-E298 PolarHBondContact O-N 3.46Å
296I86.8Confident89.3Confident31 Ų3159.5 Ų59.516%0.15930%0.299CS..G310 helixtrans-60-34.1178.1-64.2174.8000110.8A288 E298 L299 Q304 F307 V317 E319A288-I296 HydrophobicContact CB-CD1 3.9Å; A288-I296 HydrophobicContact CB-CG1 4.49Å; I296-E298 PolarHBondContact O-N 3.03Å; I296-L299 HydrophobicContact CB-CD1 4.41Å; I296-L299 HydrophobicContact CG1-CD1 4.48Å; I296-L299 HydrophobicContact CG2-CD1 4.33Å; I296-L299 WeakPolarHBondContact O-CB 3.25Å; I296-L299 PolarHBondContact O-N 3.41Å; I296-Q304 WeakPolarHBondContact O-CG 3.43Å; I296-Q304 PolarHBondContact O-NE2 3.38Å; I296-F307 HydrophobicContact CG2-CD2 4.16Å; I296-V317 HydrophobicContact CD1-CG1 4.15Å; I296-E319 WeakPolarHBondContact CB-OE1 3.48Å; I296-E319 HydrophobicContact CD1-CG 3.42Å; I296-E319 VanDerWaalsContact CD1-CG 3.42Å; I296-E319 HydrophobicContact CG1-CG 3.84Å; I296-E319 WeakPolarHBondContact CG1-OE1 3.47Å; I296-E319 PolarHBondContact N-OE1 2.99Å
297S88.6Confident89.1Confident90 Ų9059.9 Ų59.963%0.62930%0.3SS*.G310 helixtrans-64.7-20.1176.757.10000114.7K295 Q304K295-S297 PolarHBondContact O-N 2.83Å; S297-Q304 PolarHBondContact O-NE2 3.48Å
298E87.9Confident88.8Confident133 Ų13362.5 Ų62.562%0.62132%0.322SS*.G310 helixtrans-98.5-3-177.2-62.8170174.300112.4K295 I296K295-E298 HydrophobicContact CB-CG 4.36Å; K295-E298 PolarHBondContact N-OE2 3.46Å; K295-E298 PolarHBondContact O-N 3.46Å; I296-E298 PolarHBondContact O-N 3.03Å
299L85.3Confident88.6Confident17 Ų1767.6 Ų67.69%0.08935%0.349CS..SBendtrans-73163.3175.7-65.9173.5000111.9V257 L265 I296 D303 Q304 F307V257-L299 HydrophobicContact CG1-CD1 3.74Å; V257-L299 HydrophobicContact CG1-CD2 3.78Å; V257-L299 HydrophobicContact CG1-CG 4.01Å; L265-L299 HydrophobicContact CD1-CD1 4.35Å; L265-L299 HydrophobicContact CD1-CD2 4.34Å; I296-L299 HydrophobicContact CB-CD1 4.41Å; I296-L299 HydrophobicContact CG1-CD1 4.48Å; I296-L299 HydrophobicContact CG2-CD1 4.33Å; I296-L299 WeakPolarHBondContact O-CB 3.25Å; I296-L299 PolarHBondContact O-N 3.41Å; L299-D303 HydrophobicContact CB-CB 4.01Å; L299-D303 HydrophobicContact CD1-CB 4.17Å; L299-Q304 HydrophobicContact CB-CG 4.06Å; L299-Q304 PolarHBondContact O-NE2 3.44Å; L299-F307 HydrophobicContact CD1-CD2 4.22Å; L299-F307 HydrophobicContact CD1-CE2 3.7Å
300T87.3Confident88.4Confident80 Ų8067.9 Ų67.949%0.49135%0.351SS..  trans-61.4154.5171.954.40000110.9E302 D303 Q304T300-E302 PolarHBondContact O-N 3.27Å; T300-E302 VanDerWaalsContact O-N 3.12Å; T300-D303 PolarHBondContact O-N 3.37Å; T300-D303 VanDerWaalsContact OG1-CG 3.3Å; T300-D303 PolarHBondContact OG1-N 3.44Å; T300-D303 PolarHBondContact OG1-OD2 3.29Å; T300-Q304 WeakPolarHBondContact O-CG 3.31Å; T300-Q304 PolarHBondContact O-N 2.83Å
301E86.8Confident88.3Confident150 Ų15070.2 Ų70.270%0.70137%0.368SS*.Hα-helixtrans-59.4-24.5177.2-65.4-175-179.800112.7K305E301-K305 WeakPolarHBondContact O-CD 3.46Å; E301-K305 WeakPolarHBondContact O-CG 3.25Å; E301-K305 PolarHBondContact O-N 3.29Å
302E85.5Confident88.3Confident143 Ų14373.9 Ų73.967%0.66840%0.399SS*.Hα-helixtrans-70.9-49175.5-65178.6170.300111.3T300 Q304 K305 I306T300-E302 PolarHBondContact O-N 3.27Å; T300-E302 VanDerWaalsContact O-N 3.12Å; E302-Q304 VanDerWaalsContact C-N 3.35Å; E302-Q304 PolarHBondContact O-N 3.46Å; E302-K305 WeakPolarHBondContact O-CB 3.37Å; E302-K305 PolarHBondContact O-N 2.84Å; E302-I306 PolarHBondContact O-N 3.34Å
303D86.2Confident88.1Confident28 Ų2875.3 Ų75.315%0.1540%0.403CS..Hα-helixtrans-68.7-34178.8-69.1-29.4000112.4L265 L299 T300 K305 I306 F307L265-D303 HydrophobicContact CD1-CB 3.85Å; L299-D303 HydrophobicContact CB-CB 4.01Å; L299-D303 HydrophobicContact CD1-CB 4.17Å; T300-D303 PolarHBondContact O-N 3.37Å; T300-D303 VanDerWaalsContact OG1-CG 3.3Å; T300-D303 PolarHBondContact OG1-N 3.44Å; T300-D303 PolarHBondContact OG1-OD2 3.29Å; D303-K305 VanDerWaalsContact C-N 3.29Å; D303-K305 PolarHBondContact O-N 3.01Å; D303-I306 WeakPolarHBondContact O-CB 3.5Å; D303-I306 PolarHBondContact O-N 2.9Å; D303-F307 VanDerWaalsContact O-CD2 3.29Å; D303-F307 WeakPolarHBondContact O-CD2 3.48Å
304Q87.3Confident87.9Confident70 Ų7075.1 Ų75.133%0.32741%0.414SS..Hα-helixtrans-63.7-35.9173.7-70.2-177.215.300111.9I296 S297 L299 T300 E302 I306 F307 A308I296-Q304 WeakPolarHBondContact O-CG 3.43Å; I296-Q304 PolarHBondContact O-NE2 3.38Å; S297-Q304 PolarHBondContact O-NE2 3.48Å; L299-Q304 HydrophobicContact CB-CG 4.06Å; L299-Q304 PolarHBondContact O-NE2 3.44Å; T300-Q304 WeakPolarHBondContact O-CG 3.31Å; T300-Q304 PolarHBondContact O-N 2.83Å; E302-Q304 VanDerWaalsContact C-N 3.35Å; E302-Q304 PolarHBondContact O-N 3.46Å; Q304-I306 VanDerWaalsContact C-N 3.29Å; Q304-I306 PolarHBondContact O-N 3.46Å; Q304-F307 PolarHBondContact O-N 3.48Å; Q304-A308 WeakPolarHBondContact O-CB 3.35Å; Q304-A308 PolarHBondContact O-N 3.11Å
305K89.5Confident88Confident121 Ų12171.5 Ų71.553%0.52640%0.399SS..Hα-helixtrans-62.7-36.8175.1-75165.6-170.6171.30111.6E301 E302 D303 F307 A308 D309E301-K305 WeakPolarHBondContact O-CD 3.46Å; E301-K305 WeakPolarHBondContact O-CG 3.25Å; E301-K305 PolarHBondContact O-N 3.29Å; E302-K305 WeakPolarHBondContact O-CB 3.37Å; E302-K305 PolarHBondContact O-N 2.84Å; D303-K305 VanDerWaalsContact C-N 3.29Å; D303-K305 PolarHBondContact O-N 3.01Å; K305-F307 VanDerWaalsContact C-N 3.35Å; K305-F307 PolarHBondContact O-N 3Å; K305-A308 PolarHBondContact O-N 3.22Å; K305-D309 WeakPolarHBondContact O-CB 3.45Å; K305-D309 VanDerWaalsContact O-CG 3.24Å; K305-D309 PolarHBondContact O-N 3.04Å
306I88.3Confident88.1Confident23 Ų2368.6 Ų68.612%0.11839%0.391CS..Hα-helixtrans-56.2-49.5176.6-60.5173.7000110.8L265 L269 E302 D303 Q304 D309 L310L265-I306 HydrophobicContact CB-CD1 4.5Å; L269-I306 HydrophobicContact CB-CG2 4.46Å; L269-I306 HydrophobicContact CD1-CG2 3.74Å; L269-I306 HydrophobicContact CD2-CG1 4.45Å; L269-I306 HydrophobicContact CD2-CG2 3.77Å; L269-I306 HydrophobicContact CG-CG2 4.19Å; E302-I306 PolarHBondContact O-N 3.34Å; D303-I306 WeakPolarHBondContact O-CB 3.5Å; D303-I306 PolarHBondContact O-N 2.9Å; Q304-I306 VanDerWaalsContact C-N 3.29Å; Q304-I306 PolarHBondContact O-N 3.46Å; I306-D309 PolarHBondContact O-N 3.34Å; I306-L310 HydrophobicContact CG2-CD1 4.13Å; I306-L310 WeakPolarHBondContact O-CD1 3.39Å; I306-L310 VanDerWaalsContact O-CG 3.27Å; I306-L310 WeakPolarHBondContact O-CG 3.4Å; I306-L310 PolarHBondContact O-N 3.42Å; I306-L310 VanDerWaalsContact O-N 3.15Å
307F89.1Confident88.5Confident8 Ų868.7 Ų68.74%0.03539%0.393CS..Hα-helixtrans-70.6-33.5179-64.4-69.4000112.9M255 L265 I296 L299 D303 Q304 K305 L310 T311 V317M255-F307 HydrophobicContact CE-CE1 4.37Å; M255-F307 HydrophobicContact SD-CE1 4.12Å; L265-F307 HydrophobicContact CD1-CE2 4.47Å; L265-F307 HydrophobicContact CD2-CZ 4.18Å; I296-F307 HydrophobicContact CG2-CD2 4.16Å; L299-F307 HydrophobicContact CD1-CD2 4.22Å; L299-F307 HydrophobicContact CD1-CE2 3.7Å; D303-F307 VanDerWaalsContact O-CD2 3.29Å; D303-F307 WeakPolarHBondContact O-CD2 3.48Å; Q304-F307 PolarHBondContact O-N 3.48Å; K305-F307 VanDerWaalsContact C-N 3.35Å; K305-F307 PolarHBondContact O-N 3Å; F307-L310 HydrophobicContact CD1-CD1 4.47Å; F307-T311 WeakPolarHBondContact O-CB 3.41Å; F307-T311 PolarHBondContact O-N 3.25Å; F307-T311 PolarHBondContact O-OG1 2.9Å; F307-V317 HydrophobicContact CD1-CG1 3.69Å; F307-V317 HydrophobicContact CD1-CG2 4.32Å; F307-V317 HydrophobicContact CE1-CG1 4.34Å; F307-V317 HydrophobicContact CG-CG1 4.39Å
308A88.9Confident88.7Confident55 Ų5565.5 Ų65.546%0.45537%0.369SS..Hα-helixtrans-65.3-42.8175.100000111.8Q304 K305 T311 A312Q304-A308 WeakPolarHBondContact O-CB 3.35Å; Q304-A308 PolarHBondContact O-N 3.11Å; K305-A308 PolarHBondContact O-N 3.22Å; A308-T311 WeakPolarHBondContact O-CB 3.3Å; A308-T311 PolarHBondContact O-N 3.06Å; A308-A312 WeakPolarHBondContact O-CB 3.15Å; A308-A312 PolarHBondContact O-N 3.05Å
309D91Very high89Confident107 Ų10762.8 Ų62.857%0.57236%0.356SS*.Hα-helixtrans-63.9-44.3177.6-71.7-16.3000111K305 I306 T311 A312 E313K305-D309 WeakPolarHBondContact O-CB 3.45Å; K305-D309 VanDerWaalsContact O-CG 3.24Å; K305-D309 PolarHBondContact O-N 3.04Å; I306-D309 PolarHBondContact O-N 3.34Å; D309-T311 VanDerWaalsContact C-N 3.27Å; D309-T311 PolarHBondContact O-N 3.17Å; D309-A312 WeakPolarHBondContact O-CB 3.32Å; D309-A312 PolarHBondContact O-N 3.38Å; D309-A312 VanDerWaalsContact O-N 3.15Å; D309-E313 WeakPolarHBondContact O-CG 3.45Å; D309-E313 PolarHBondContact O-N 3.25Å
310L88.8Confident89.4Confident7 Ų762 Ų624%0.03735%0.352CS..Hα-helixtrans-60.4-38.2174.4-70.4165.3000112.3L269 F272 I286 I306 F307 E313 I315 V317L269-L310 HydrophobicContact CD1-CD1 4.02Å; L269-L310 HydrophobicContact CD1-CD2 4.13Å; L269-L310 HydrophobicContact CD1-CG 4.32Å; F272-L310 HydrophobicContact CD1-CD2 4.24Å; F272-L310 HydrophobicContact CE1-CD2 3.84Å; I286-L310 HydrophobicContact CD1-CB 4.07Å; I286-L310 HydrophobicContact CD1-CD1 3.55Å; I286-L310 HydrophobicContact CD1-CD2 3.73Å; I286-L310 HydrophobicContact CD1-CG 3.98Å; I306-L310 HydrophobicContact CG2-CD1 4.13Å; I306-L310 WeakPolarHBondContact O-CD1 3.39Å; I306-L310 VanDerWaalsContact O-CG 3.27Å; I306-L310 WeakPolarHBondContact O-CG 3.4Å; I306-L310 PolarHBondContact O-N 3.42Å; I306-L310 VanDerWaalsContact O-N 3.15Å; F307-L310 HydrophobicContact CD1-CD1 4.47Å; L310-E313 PolarHBondContact O-N 2.85Å; L310-I315 HydrophobicContact CD2-CD1 4.4Å; L310-I315 WeakPolarHBondContact O-CB 3.21Å; L310-I315 PolarHBondContact O-N 3.42Å; L310-I315 VanDerWaalsContact O-N 3.16Å; L310-V317 HydrophobicContact CB-CG2 4.32Å
311T90.4Very high89.8Confident79 Ų7958.3 Ų58.349%0.48533%0.329SS..Hα-helixtrans-69.3-38176.1-54.10000111.4F307 A308 D309 E313 G314 I315F307-T311 WeakPolarHBondContact O-CB 3.41Å; F307-T311 PolarHBondContact O-N 3.25Å; F307-T311 PolarHBondContact O-OG1 2.9Å; A308-T311 WeakPolarHBondContact O-CB 3.3Å; A308-T311 PolarHBondContact O-N 3.06Å; D309-T311 VanDerWaalsContact C-N 3.27Å; D309-T311 PolarHBondContact O-N 3.17Å; T311-E313 VanDerWaalsContact C-N 3.28Å; T311-E313 PolarHBondContact O-N 3.36Å; T311-G314 WeakPolarHBondContact O-CA 3.34Å; T311-G314 PolarHBondContact O-N 3.41Å; T311-I315 WeakPolarHBondContact CA-O 3.43Å
312A90.4Very high90Very high89 Ų8952.2 Ų52.274%0.73630%0.303SS*.Hα-helixtrans-65.3-30.417600000112.7A308 D309 G314A308-A312 WeakPolarHBondContact O-CB 3.15Å; A308-A312 PolarHBondContact O-N 3.05Å; D309-A312 WeakPolarHBondContact O-CB 3.32Å; D309-A312 PolarHBondContact O-N 3.38Å; D309-A312 VanDerWaalsContact O-N 3.15Å; A312-G314 PolarHBondContact O-N 3.24Å
313E86.1Confident90.2Very high99 Ų9951.6 Ų51.646%0.46330%0.303SS..THydrogen-bonded Turntrans-71-5.1170.3-66.7-169.6158.200113.7R276 D309 L310 T311 I315R276-E313 IonicContact CZ-OE1 2.81Å; R276-E313 IonicContact CZ-OE2 2.82Å; R276-E313 IonicContact NH1-OE1 3.21Å; R276-E313 PolarHBondContact NH1-OE1 3.27Å; R276-E313 IonicContact NH1-OE2 3.88Å; R276-E313 PolarHBondContact NH1-OE2 3.31Å; R276-E313 VanDerWaalsContact NH1-OE2 3.1Å; R276-E313 IonicContact NH2-OE1 2.67Å; R276-E313 PolarHBondContact NH2-OE1 3.39Å; R276-E313 IonicContact NH2-OE2 3.9Å; R276-E313 PolarHBondContact NH2-OE2 3.12Å; D309-E313 WeakPolarHBondContact O-CG 3.45Å; D309-E313 PolarHBondContact O-N 3.25Å; L310-E313 PolarHBondContact O-N 2.85Å; T311-E313 VanDerWaalsContact C-N 3.28Å; T311-E313 PolarHBondContact O-N 3.36Å; E313-I315 HydrophobicContact CB-CG1 4.45Å
314G86.1Confident90.5Very high62 Ų6253.5 Ų53.564%0.63932%0.316SS*.THydrogen-bonded Turntrans87.315.9-179.100000114.4T311 A312T311-G314 WeakPolarHBondContact O-CA 3.34Å; T311-G314 PolarHBondContact O-N 3.41Å; A312-G314 PolarHBondContact O-N 3.24Å
315I89.4Confident90.7Very high14 Ų1455.6 Ų55.67%0.07233%0.325CS..  trans-93.8119.2175-50.2177.1000108.6F272 L284 I286 L310 T311 E313 V317F272-I315 HydrophobicContact CE1-CD1 4.21Å; F272-I315 HydrophobicContact CZ-CD1 3.8Å; L284-I315 HydrophobicContact CB-CG2 4.33Å; I286-I315 HydrophobicContact CD1-CG2 3.78Å; I286-I315 HydrophobicContact CG1-CG2 3.74Å; L310-I315 HydrophobicContact CD2-CD1 4.4Å; L310-I315 WeakPolarHBondContact O-CB 3.21Å; L310-I315 PolarHBondContact O-N 3.42Å; L310-I315 VanDerWaalsContact O-N 3.16Å; T311-I315 WeakPolarHBondContact CA-O 3.43Å; E313-I315 HydrophobicContact CB-CG1 4.45Å; I315-V317 PolarHBondContact O-N 3.37Å
316S91Very high90.8Very high34 Ų3455.7 Ų55.724%0.23833%0.328CS..EExtended strand (participates in β ladder)trans-72.3131.3177.7-51.80000110.9I286 E334 K338I286-S316 PolarHBondContact N-O 2.97Å; S316-E334 WeakPolarHBondContact CB-OE1 3.34Å; S316-E334 PolarHBondContact OG-OE1 3Å; S316-K338 VanDerWaalsContact CB-NZ 3.3Å; S316-K338 PolarHBondContact OG-NZ 3.05Å
317V93.9Very high91Very high33 Ų3355.6 Ų55.620%0.233%0.332CS..EExtended strand (participates in β ladder)trans-104.5128.7172.4-177.40000108.4I286 A288 I296 F307 L310 I315I286-V317 HydrophobicContact CB-CG2 4.22Å; I286-V317 HydrophobicContact CG2-CG1 4.41Å; I286-V317 HydrophobicContact CG2-CG2 4.41Å; I286-V317 WeakPolarHBondContact O-CA 3.46Å; A288-V317 HydrophobicContact CB-CG1 4.45Å; I296-V317 HydrophobicContact CD1-CG1 4.15Å; F307-V317 HydrophobicContact CD1-CG1 3.69Å; F307-V317 HydrophobicContact CD1-CG2 4.32Å; F307-V317 HydrophobicContact CE1-CG1 4.34Å; F307-V317 HydrophobicContact CG-CG1 4.39Å; L310-V317 HydrophobicContact CB-CG2 4.32Å; I315-V317 PolarHBondContact O-N 3.37Å
318I93.6Very high91.2Very high23 Ų2355.5 Ų55.512%0.11833%0.332CS..EExtended strand (participates in β ladder)trans-129.6129.7178.7-51.2178.8000109.6L285 I286 A288 V331 E334L285-I318 HydrophobicContact CD1-CD1 4.3Å; L285-I318 HydrophobicContact CD2-CD1 3.95Å; L285-I318 HydrophobicContact CG-CD1 4.46Å; I286-I318 PolarHBondContact O-N 3.49Å; A288-I318 PolarHBondContact N-O 3.47Å; I318-V331 HydrophobicContact CB-CG2 3.79Å; I318-V331 HydrophobicContact CD1-CG2 3.98Å; I318-V331 HydrophobicContact CG1-CG2 4.46Å; I318-V331 HydrophobicContact CG2-CG2 3.73Å; I318-E334 HydrophobicContact CD1-CB 4.16Å; I318-E334 WeakPolarHBondContact CD1-OE2 3.36Å
319E93.9Very high91.5Very high76 Ų7658.4 Ų58.436%0.35534%0.338SS..EExtended strand (participates in β ladder)trans-72135171.2-69.2-172.5145.300111.2A288 C291 I296A288-E319 CarbonylContact O-C 3.6Å; C291-E319 HydrophobicContact CB-CB 4.35Å; C291-E319 VanDerWaalsContact SG-CB 3.56Å; I296-E319 WeakPolarHBondContact CB-OE1 3.48Å; I296-E319 HydrophobicContact CD1-CG 3.42Å; I296-E319 VanDerWaalsContact CD1-CG 3.42Å; I296-E319 HydrophobicContact CG1-CG 3.84Å; I296-E319 WeakPolarHBondContact CG1-OE1 3.47Å; I296-E319 PolarHBondContact N-OE1 2.99Å
320T94.5Very high91.7Very high2 Ų256.7 Ų56.71%0.01233%0.331CS..EExtended strand (participates in β ladder)trans-142.4147.2-179.956.80000111.6V287 A288 N289 K290 C291 E326 G327 V331V287-T320 HydrophobicContact CG1-CG2 3.75Å; V287-T320 WeakPolarHBondContact CG1-OG1 3.33Å; A288-T320 PolarHBondContact O-N 3.11Å; A288-T320 PolarHBondContact O-OG1 3.23Å; N289-T320 CarbonylContact C-O 3.55Å; N289-T320 VanDerWaalsContact CA-O 3.32Å; N289-T320 WeakPolarHBondContact CA-O 3.36Å; N289-T320 WeakPolarHBondContact CA-OG1 3.36Å; N289-T320 PolarHBondContact OD1-O 3.02Å; K290-T320 PolarHBondContact N-O 3.16Å; K290-T320 VanDerWaalsContact N-O 3.15Å; C291-T320 PolarHBondContact N-O 3.04Å; T320-E326 WeakPolarHBondContact CA-O 3.44Å; T320-G327 WeakPolarHBondContact CG2-O 3.39Å; T320-V331 HydrophobicContact CG2-CB 4.29Å; T320-V331 HydrophobicContact CG2-CG2 3.3Å
321S94.5Very high92Very high1 Ų156.3 Ų56.31%0.00733%0.33CS..  trans-133125164.4175.70000109.8D292 L323 T324 E325 E326D292-S321 WeakPolarHBondContact OD1-CB 3.35Å; D292-S321 PolarHBondContact OD1-OG 3.06Å; S321-L323 PolarHBondContact O-N 3.44Å; S321-L323 PolarHBondContact OG-N 3.09Å; S321-L323 VanDerWaalsContact OG-N 3.15Å; S321-T324 VanDerWaalsContact CB-OG1 3.28Å; S321-T324 WeakPolarHBondContact CB-OG1 3.22Å; S321-T324 PolarHBondContact OG-N 3.38Å; S321-T324 PolarHBondContact OG-OG1 3.18Å; S321-E325 VanDerWaalsContact O-CA 3.22Å; S321-E325 WeakPolarHBondContact O-CA 3.36Å; S321-E325 PolarHBondContact O-N 3.38Å; S321-E326 PolarHBondContact N-O 3.11Å
322T91.3Very high92.2Very high23 Ų2353.8 Ų53.814%0.14131%0.312CS..THydrogen-bonded Turntrans-74.6-12.3171.954.20000112.9F184 K187F184-T322 HydrophobicContact CB-CG2 4.14Å; F184-T322 HydrophobicContact CD2-CG2 4.46Å; K187-T322 VanDerWaalsContact CE-O 3.26Å; K187-T322 WeakPolarHBondContact CE-O 3.14Å
323L90.8Very high92.4Very high130 Ų13051.9 Ų51.968%0.68129%0.291SS*.THydrogen-bonded Turntrans-85.7-51.4178.6-17763.8000111.2D292 S321D292-L323 WeakPolarHBondContact OD2-CD2 3.42Å; S321-L323 PolarHBondContact O-N 3.44Å; S321-L323 PolarHBondContact OG-N 3.09Å; S321-L323 VanDerWaalsContact OG-N 3.15Å
324T91.8Very high92.9Very high68 Ų6850 Ų5042%0.41728%0.282SS..THydrogen-bonded Turntrans-86.1-10.5178.762.40000113.3D292 S321 E326D292-T324 HydrophobicContact CB-CG2 4.18Å; S321-T324 VanDerWaalsContact CB-OG1 3.28Å; S321-T324 WeakPolarHBondContact CB-OG1 3.22Å; S321-T324 PolarHBondContact OG-N 3.38Å; S321-T324 PolarHBondContact OG-OG1 3.18Å; T324-E326 PolarHBondContact O-N 3.43Å; T324-E326 WeakPolarHBondContact OG1-CG 3.32Å
325E91.9Very high93.3Very high113 Ų11347.1 Ų47.153%0.52825%0.253SS..  trans64.79.9-174.7-53.4-175.6176.700114.4K187 S321K187-E325 HydrophobicContact CD-CG 4.38Å; K187-E325 IonicContact NZ-OE1 3.26Å; K187-E325 PolarHBondContact NZ-OE1 3.26Å; S321-E325 VanDerWaalsContact O-CA 3.22Å; S321-E325 WeakPolarHBondContact O-CA 3.36Å; S321-E325 PolarHBondContact O-N 3.38Å
326E91.8Very high93.6Very high124 Ų12446.5 Ų46.558%0.57925%0.249SC*.THydrogen-bonded Turntrans-67.3135173-66.5179.6175.500110.4T320 S321 T324 V328T320-E326 WeakPolarHBondContact CA-O 3.44Å; S321-E326 PolarHBondContact N-O 3.11Å; T324-E326 PolarHBondContact O-N 3.43Å; T324-E326 WeakPolarHBondContact OG1-CG 3.32Å; E326-V328 PolarHBondContact O-N 3.26Å
327G92.1Very high93.8Very high20 Ų2047.7 Ų47.721%0.20625%0.253CS..THydrogen-bonded Turntrans74.6-13.1177.100000116.3T320 M329 T330 V331T320-G327 WeakPolarHBondContact CG2-O 3.39Å; G327-M329 VanDerWaalsContact C-N 3.33Å; G327-M329 PolarHBondContact O-N 2.76Å; G327-T330 VanDerWaalsContact CA-OG1 3.31Å; G327-T330 WeakPolarHBondContact CA-OG1 3.18Å; G327-T330 PolarHBondContact O-N 3.5Å; G327-T330 PolarHBondContact O-OG1 3.03Å; G327-V331 PolarHBondContact O-N 3.27Å
328V93.8Very high93.8Very high7 Ų748.8 Ų48.84%0.04226%0.255CS..Hα-helixtrans-61.1-43.5-178.5177.10000111.5F184 K187 V188 E326 K332F184-V328 HydrophobicContact CD2-CG1 4.33Å; F184-V328 HydrophobicContact CE2-CB 4.46Å; F184-V328 HydrophobicContact CE2-CG1 3.94Å; K187-V328 HydrophobicContact CB-CG1 4.31Å; V188-V328 HydrophobicContact CG2-CG1 3.48Å; V188-V328 VanDerWaalsContact CG2-CG1 3.48Å; E326-V328 PolarHBondContact O-N 3.26Å; V328-K332 PolarHBondContact O-N 3.04Å; V328-K332 VanDerWaalsContact O-N 3.16Å
329M94Very high93.9Very high115 Ų11547.9 Ų47.957%0.56725%0.25SS*.Hα-helixtrans-73.5-32.7179.2-73.5-62.9-7100113G327 K332 T333G327-M329 VanDerWaalsContact C-N 3.33Å; G327-M329 PolarHBondContact O-N 2.76Å; M329-K332 HydrophobicContact CE-CD 4.24Å; M329-K332 WeakPolarHBondContact O-CB 3.38Å; M329-K332 PolarHBondContact O-N 3.22Å; M329-K332 HydrophobicContact SD-CD 3.93Å; M329-T333 WeakPolarHBondContact O-CG2 3.44Å; M329-T333 PolarHBondContact O-N 2.93Å; M329-T333 PolarHBondContact O-OG1 3.3Å
330T95.3Very high94Very high71 Ų7145.6 Ų45.644%0.43624%0.241SC..Hα-helixtrans-67.3-4617856.70000110.3G327 K332 T333 E334G327-T330 VanDerWaalsContact CA-OG1 3.31Å; G327-T330 WeakPolarHBondContact CA-OG1 3.18Å; G327-T330 PolarHBondContact O-N 3.5Å; G327-T330 PolarHBondContact O-OG1 3.03Å; T330-K332 VanDerWaalsContact C-N 3.32Å; T330-K332 PolarHBondContact O-N 2.85Å; T330-T333 WeakPolarHBondContact CA-OG1 3.34Å; T330-T333 PolarHBondContact O-N 3.47Å; T330-T333 VanDerWaalsContact O-N 3.14Å; T330-T333 PolarHBondContact O-OG1 2.98Å; T330-E334 PolarHBondContact O-N 2.96Å
331V95.2Very high93.9Very high0 Ų048.1 Ų48.10%026%0.262CS..Hα-helixtrans-54.4-48171.4167.30000111.5F184 L252 L285 V287 I318 T320 G327 T333 E334 A335F184-V331 HydrophobicContact CE2-CB 4.37Å; F184-V331 HydrophobicContact CE2-CG1 4.05Å; F184-V331 HydrophobicContact CZ-CB 4.21Å; F184-V331 HydrophobicContact CZ-CG1 3.57Å; L252-V331 HydrophobicContact CD2-CG1 3.48Å; L252-V331 VanDerWaalsContact CD2-CG1 3.48Å; L285-V331 HydrophobicContact CD2-CB 4.4Å; L285-V331 HydrophobicContact CD2-CG1 3.87Å; L285-V331 HydrophobicContact CD2-CG2 4.35Å; V287-V331 HydrophobicContact CG1-CG2 4.25Å; V287-V331 HydrophobicContact CG2-CG1 3.72Å; V287-V331 HydrophobicContact CG2-CG2 4.06Å; I318-V331 HydrophobicContact CB-CG2 3.79Å; I318-V331 HydrophobicContact CD1-CG2 3.98Å; I318-V331 HydrophobicContact CG1-CG2 4.46Å; I318-V331 HydrophobicContact CG2-CG2 3.73Å; T320-V331 HydrophobicContact CG2-CB 4.29Å; T320-V331 HydrophobicContact CG2-CG2 3.3Å; G327-V331 PolarHBondContact O-N 3.27Å; V331-T333 VanDerWaalsContact C-N 3.34Å; V331-T333 PolarHBondContact O-N 3.36Å; V331-E334 PolarHBondContact O-N 2.92Å; V331-A335 WeakPolarHBondContact O-CB 3.32Å; V331-A335 PolarHBondContact O-N 3.16Å
332K94.4Very high93.8Very high25 Ų2552.5 Ų52.511%0.10928%0.282CS..Hα-helixtrans-55.5-49.6177174.9-173.7171.8174.40111.3V188 M210 D211 V328 M329 T330 C336V188-K332 HydrophobicContact CG1-CD 4.27Å; M210-K332 HydrophobicContact CE-CG 4.07Å; M210-K332 HydrophobicContact SD-CD 3.88Å; M210-K332 VanDerWaalsContact SD-CE 3.53Å; M210-K332 HydrophobicContact SD-CG 3.89Å; D211-K332 PolarHBondContact O-NZ 3.32Å; V328-K332 PolarHBondContact O-N 3.04Å; V328-K332 VanDerWaalsContact O-N 3.16Å; M329-K332 HydrophobicContact CE-CD 4.24Å; M329-K332 WeakPolarHBondContact O-CB 3.38Å; M329-K332 PolarHBondContact O-N 3.22Å; M329-K332 HydrophobicContact SD-CD 3.93Å; T330-K332 VanDerWaalsContact C-N 3.32Å; T330-K332 PolarHBondContact O-N 2.85Å; K332-C336 WeakPolarHBondContact O-CB 3.19Å; K332-C336 PolarHBondContact O-N 3.26Å; K332-C336 VanDerWaalsContact O-N 3.17Å; K332-C336 PolarHBondContact O-SG 2.91Å
333T95.6Very high93.9Very high50 Ų5054 Ų5431%0.30729%0.285SS..Hα-helixtrans-64.3-47.4-177.951.80000112.2Y212 M329 T330 V331 C336 D337Y212-T333 HydrophobicContact CE2-CG2 3.76Å; M329-T333 WeakPolarHBondContact O-CG2 3.44Å; M329-T333 PolarHBondContact O-N 2.93Å; M329-T333 PolarHBondContact O-OG1 3.3Å; T330-T333 WeakPolarHBondContact CA-OG1 3.34Å; T330-T333 PolarHBondContact O-N 3.47Å; T330-T333 VanDerWaalsContact O-N 3.14Å; T330-T333 PolarHBondContact O-OG1 2.98Å; V331-T333 VanDerWaalsContact C-N 3.34Å; V331-T333 PolarHBondContact O-N 3.36Å; T333-C336 PolarHBondContact O-N 3.39Å; T333-D337 WeakPolarHBondContact O-CB 3.36Å; T333-D337 PolarHBondContact O-N 3.39Å
334E95.4Very high94Very high59 Ų5951.4 Ų51.428%0.27627%0.274SS..Hα-helixtrans-69.8-42.9-175.5-169.2176.3156.200111.9L285 S316 I318 T330 V331 C336 D337 K338L285-E334 HydrophobicContact CD1-CG 4.13Å; S316-E334 WeakPolarHBondContact CB-OE1 3.34Å; S316-E334 PolarHBondContact OG-OE1 3Å; I318-E334 HydrophobicContact CD1-CB 4.16Å; I318-E334 WeakPolarHBondContact CD1-OE2 3.36Å; T330-E334 PolarHBondContact O-N 2.96Å; V331-E334 PolarHBondContact O-N 2.92Å; E334-C336 VanDerWaalsContact C-N 3.3Å; E334-C336 PolarHBondContact O-N 3.41Å; E334-D337 PolarHBondContact O-N 2.8Å; E334-K338 HydrophobicContact CG-CD 4.31Å; E334-K338 HydrophobicContact CG-CG 4.49Å; E334-K338 WeakPolarHBondContact O-CB 3.38Å; E334-K338 WeakPolarHBondContact O-CG 3.48Å; E334-K338 PolarHBondContact O-N 3.4Å; E334-K338 VanDerWaalsContact OE1-CE 3.23Å; E334-K338 WeakPolarHBondContact OE1-CE 3.48Å; E334-K338 IonicContact OE1-NZ 2.65Å; E334-K338 PolarHBondContact OE1-NZ 2.86Å; E334-K338 VanDerWaalsContact OE1-NZ 3.11Å
335A95.3Very high94Very high2 Ų252.7 Ų52.72%0.01728%0.279CS..Hα-helixtrans-60.6-41.417600000111.7L171 L252 L285 V331 L339L171-A335 HydrophobicContact CD1-CB 4.32Å; L171-A335 HydrophobicContact CD2-CB 4.09Å; L252-A335 HydrophobicContact CD1-CB 4.19Å; L252-A335 HydrophobicContact CD2-CB 4.31Å; L252-A335 HydrophobicContact CG-CB 4.35Å; L285-A335 HydrophobicContact CD2-CB 4.28Å; V331-A335 WeakPolarHBondContact O-CB 3.32Å; V331-A335 PolarHBondContact O-N 3.16Å; A335-L339 WeakPolarHBondContact O-CB 3.41Å; A335-L339 PolarHBondContact O-N 3.29Å
336C95.8Very high93.9Very high0 Ų049.6 Ų49.60%028%0.277CS..Hα-helixtrans-66.1-45.5176.7-70.20000111.7M210 Y212 W217 K332 T333 E334 L339 L340M210-C336 WeakPolarHBondContact CE-SG 3.36Å; Y212-C336 HydrophobicContact CD1-CB 3.36Å; Y212-C336 HydrophobicContact CE1-CB 3.46Å; Y212-C336 VanDerWaalsContact CE1-CB 3.46Å; Y212-C336 HydrophobicContact CG-CB 4.28Å; W217-C336 HydrophobicContact CH2-CB 3.7Å; W217-C336 VanDerWaalsContact CH2-O 3.24Å; W217-C336 WeakPolarHBondContact CH2-O 3.38Å; W217-C336 HydrophobicContact CZ2-CB 3.78Å; W217-C336 HydrophobicContact CZ3-CB 4.03Å; K332-C336 WeakPolarHBondContact O-CB 3.19Å; K332-C336 PolarHBondContact O-N 3.26Å; K332-C336 VanDerWaalsContact O-N 3.17Å; K332-C336 PolarHBondContact O-SG 2.91Å; T333-C336 PolarHBondContact O-N 3.39Å; E334-C336 VanDerWaalsContact C-N 3.3Å; E334-C336 PolarHBondContact O-N 3.41Å; C336-L339 PolarHBondContact O-N 3.39Å; C336-L340 WeakPolarHBondContact O-CG 3.22Å; C336-L340 PolarHBondContact O-N 3.29Å
337D95.6Very high93.9Very high59 Ų5949.5 Ų49.532%0.31627%0.274SS..Hα-helixtrans-68.8-40.4-175.9-77.8-9.3000112.5Y212 K213 T333 E334 L339 L340 A341Y212-D337 WeakPolarHBondContact CE1-OD1 3.36Å; Y212-D337 PolarHBondContact OH-OD1 2.98Å; Y212-D337 PolarHBondContact OH-OD2 3.13Å; K213-D337 WeakPolarHBondContact CE-OD1 3.42Å; K213-D337 IonicContact NZ-OD1 3.73Å; K213-D337 PolarHBondContact NZ-OD1 3.35Å; K213-D337 IonicContact NZ-OD2 2.74Å; K213-D337 PolarHBondContact NZ-OD2 3.21Å; T333-D337 WeakPolarHBondContact O-CB 3.36Å; T333-D337 PolarHBondContact O-N 3.39Å; E334-D337 PolarHBondContact O-N 2.8Å; D337-L339 VanDerWaalsContact C-N 3.33Å; D337-L339 PolarHBondContact O-N 3.13Å; D337-L340 PolarHBondContact O-N 3.5Å; D337-A341 PolarHBondContact O-N 2.94Å
338K94.2Very high93.8Very high57 Ų5754.5 Ų54.525%0.24829%0.294CS..Hα-helixtrans-59.2-43.5171.2-75.9-177.9171.6177.70112.1P283 L285 S316 E334 A341 H342P283-K338 HydrophobicContact CB-CB 4.14Å; L285-K338 HydrophobicContact CD1-CD 4.28Å; S316-K338 VanDerWaalsContact CB-NZ 3.3Å; S316-K338 PolarHBondContact OG-NZ 3.05Å; E334-K338 HydrophobicContact CG-CD 4.31Å; E334-K338 HydrophobicContact CG-CG 4.49Å; E334-K338 WeakPolarHBondContact O-CB 3.38Å; E334-K338 WeakPolarHBondContact O-CG 3.48Å; E334-K338 PolarHBondContact O-N 3.4Å; E334-K338 VanDerWaalsContact OE1-CE 3.23Å; E334-K338 WeakPolarHBondContact OE1-CE 3.48Å; E334-K338 IonicContact OE1-NZ 2.65Å; E334-K338 PolarHBondContact OE1-NZ 2.86Å; E334-K338 VanDerWaalsContact OE1-NZ 3.11Å; K338-A341 PolarHBondContact O-N 2.97Å; K338-H342 PolarHBondContact O-N 3.18Å; K338-H342 VanDerWaalsContact O-N 3.15Å
339L95.2Very high93.7Very high3 Ų363.3 Ų63.32%0.01633%0.331CS..Hα-helixtrans-67-38.3177-169.261.1000112R169 W217 A250 P283 A335 C336 D337 R343R169-L339 HydrophobicContact CB-CD2 4.29Å; W217-L339 HydrophobicContact CE3-CD2 4.34Å; W217-L339 HydrophobicContact CH2-CB 4.07Å; W217-L339 HydrophobicContact CH2-CD2 4.15Å; W217-L339 HydrophobicContact CH2-CG 4.45Å; W217-L339 HydrophobicContact CZ3-CB 4Å; W217-L339 HydrophobicContact CZ3-CD2 3.48Å; W217-L339 VanDerWaalsContact CZ3-CD2 3.48Å; W217-L339 HydrophobicContact CZ3-CG 4.2Å; A250-L339 HydrophobicContact CB-CB 4.16Å; A250-L339 HydrophobicContact CB-CD1 4.33Å; A250-L339 HydrophobicContact CB-CD2 4.41Å; P283-L339 HydrophobicContact CG-CB 4.34Å; P283-L339 HydrophobicContact CG-CD1 3.7Å; A335-L339 WeakPolarHBondContact O-CB 3.41Å; A335-L339 PolarHBondContact O-N 3.29Å; C336-L339 PolarHBondContact O-N 3.39Å; D337-L339 VanDerWaalsContact C-N 3.33Å; D337-L339 PolarHBondContact O-N 3.13Å; L339-R343 HydrophobicContact CD1-CG 4.28Å; L339-R343 HydrophobicContact CG-CG 4.29Å; L339-R343 VanDerWaalsContact O-CB 3.3Å; L339-R343 WeakPolarHBondContact O-CB 3.44Å; L339-R343 WeakPolarHBondContact O-CG 3.44Å; L339-R343 PolarHBondContact O-N 3.41Å
340L95.5Very high93.5Very high29 Ų2959.4 Ų59.415%0.15232%0.321CS..Hα-helixtrans-63.7-45.8176.8-74.8177.1000111.2K213 L215 W217 C336 D337 R343 V344K213-L340 HydrophobicContact CD-CD1 4.24Å; L215-L340 HydrophobicContact CD1-CD2 3.97Å; W217-L340 HydrophobicContact CH2-CD2 4.07Å; W217-L340 HydrophobicContact CH2-CG 3.83Å; W217-L340 HydrophobicContact CZ2-CD1 4.02Å; W217-L340 HydrophobicContact CZ2-CD2 3.77Å; W217-L340 HydrophobicContact CZ2-CG 3.69Å; C336-L340 WeakPolarHBondContact O-CG 3.22Å; C336-L340 PolarHBondContact O-N 3.29Å; D337-L340 PolarHBondContact O-N 3.5Å; L340-R343 PolarHBondContact O-N 3.49Å; L340-V344 WeakPolarHBondContact O-CB 3.34Å; L340-V344 VanDerWaalsContact O-CG2 3.24Å; L340-V344 WeakPolarHBondContact O-CG2 3.36Å; L340-V344 PolarHBondContact O-N 2.95Å
341A93.6Very high93.3Very high55 Ų5564.9 Ų64.946%0.45534%0.338SS..Hα-helixtrans-55.9-55.1176.800000111D337 K338 R343 V344 D345D337-A341 PolarHBondContact O-N 2.94Å; K338-A341 PolarHBondContact O-N 2.97Å; A341-R343 VanDerWaalsContact C-N 3.28Å; A341-R343 PolarHBondContact O-N 3.27Å; A341-V344 PolarHBondContact O-N 3.41Å; A341-V344 VanDerWaalsContact O-N 3.16Å; A341-D345 PolarHBondContact O-N 3.34Å
342H92.3Very high93Very high92 Ų9272.4 Ų72.443%0.42637%0.371SS..Hα-helixtrans-58.4-38.6178.7-176.1-106.4000112.9N281 K338 G346N281-H342 PolarHBondContact O-CE1 3.47Å; N281-H342 VanDerWaalsContact O-CE1 3.31Å; K338-H342 PolarHBondContact O-N 3.18Å; K338-H342 VanDerWaalsContact O-N 3.15Å; H342-G346 PolarHBondContact O-N 3.39Å; H342-G346 VanDerWaalsContact O-N 3.07Å
343R92.4Very high92.8Very high56 Ų5672.3 Ų72.321%0.21137%0.373CS..Hα-helixtrans-73.7-37.5178.5-72.3-177.578.7106.2-1.2112.7N167 T168 L339 L340 A341 D345 G346 K347N167-R343 PolarHBondContact O-NH2 2.83Å; T168-R343 PolarHBondContact O-NH1 3.32Å; L339-R343 HydrophobicContact CD1-CG 4.28Å; L339-R343 HydrophobicContact CG-CG 4.29Å; L339-R343 VanDerWaalsContact O-CB 3.3Å; L339-R343 WeakPolarHBondContact O-CB 3.44Å; L339-R343 WeakPolarHBondContact O-CG 3.44Å; L339-R343 PolarHBondContact O-N 3.41Å; L340-R343 PolarHBondContact O-N 3.49Å; A341-R343 VanDerWaalsContact C-N 3.28Å; A341-R343 PolarHBondContact O-N 3.27Å; R343-D345 VanDerWaalsContact C-N 3.34Å; R343-G346 PolarHBondContact O-N 2.69Å; R343-K347 VanDerWaalsContact O-CG 3.24Å; R343-K347 WeakPolarHBondContact O-CG 3.32Å; R343-K347 PolarHBondContact O-N 3Å
344V92.5Very high92.5Very high74 Ų7476.5 Ų76.545%0.44839%0.388SS..Hα-helixtrans-64.4-42.9175.71700000109.5L340 A341 G346 K347 M348L340-V344 WeakPolarHBondContact O-CB 3.34Å; L340-V344 VanDerWaalsContact O-CG2 3.24Å; L340-V344 WeakPolarHBondContact O-CG2 3.36Å; L340-V344 PolarHBondContact O-N 2.95Å; A341-V344 PolarHBondContact O-N 3.41Å; A341-V344 VanDerWaalsContact O-N 3.16Å; V344-G346 PolarHBondContact O-N 2.91Å; V344-K347 CarbonylContact O-C 3.59Å; V344-K347 WeakPolarHBondContact O-CA 3.29Å; V344-K347 WeakPolarHBondContact O-CB 3.47Å; V344-K347 PolarHBondContact O-N 3.38Å; V344-M348 HydrophobicContact CG1-CE 4.46Å; V344-M348 HydrophobicContact CG1-CG 4.21Å; V344-M348 WeakPolarHBondContact O-CG 3.44Å; V344-M348 PolarHBondContact O-N 3.47Å
345D92.1Very high92.4Very high96 Ų9679.5 Ų79.551%0.51341%0.406SS..Hα-helixtrans-59.5-45.6174-71.5-15.5000111.9A341 R343 K347 M348 K349A341-D345 PolarHBondContact O-N 3.34Å; R343-D345 VanDerWaalsContact C-N 3.34Å; D345-K347 PolarHBondContact O-N 3.2Å; D345-M348 PolarHBondContact O-N 3.04Å; D345-K349 WeakPolarHBondContact O-CG 3.41Å; D345-K349 PolarHBondContact O-N 3.4Å
346G90.1Very high92.3Very high47 Ų4782.1 Ų82.149%0.48542%0.422SS..Hα-helixtrans-61.6-31.3173.900000113.4H342 R343 V344H342-G346 PolarHBondContact O-N 3.39Å; H342-G346 VanDerWaalsContact O-N 3.07Å; R343-G346 PolarHBondContact O-N 2.69Å; V344-G346 PolarHBondContact O-N 2.91Å
347K90.9Very high92.1Very high123 Ų12386.2 Ų86.254%0.53544%0.443SS..Hα-helixtrans-75.9-43.1175.1-71.4-68.3-179.4-175.90111.9R343 V344 D345 K349 G350 V353R343-K347 VanDerWaalsContact O-CG 3.24Å; R343-K347 WeakPolarHBondContact O-CG 3.32Å; R343-K347 PolarHBondContact O-N 3Å; V344-K347 CarbonylContact O-C 3.59Å; V344-K347 WeakPolarHBondContact O-CA 3.29Å; V344-K347 WeakPolarHBondContact O-CB 3.47Å; V344-K347 PolarHBondContact O-N 3.38Å; D345-K347 PolarHBondContact O-N 3.2Å; K347-K349 VanDerWaalsContact C-N 3.28Å; K347-K349 PolarHBondContact O-N 2.67Å; K347-G350 WeakPolarHBondContact O-CA 3.38Å; K347-G350 PolarHBondContact O-N 3.2Å; K347-V353 HydrophobicContact CB-CG2 4.4Å; K347-V353 WeakPolarHBondContact O-CG2 3.43Å
348M90.6Very high92Very high125 Ų12589 Ų8962%0.61646%0.459SS*.Hα-helixtrans-59.2-37.9177-74.7-66.5-169.200111.9V344 D345 G350 V353V344-M348 HydrophobicContact CG1-CE 4.46Å; V344-M348 HydrophobicContact CG1-CG 4.21Å; V344-M348 WeakPolarHBondContact O-CG 3.44Å; V344-M348 PolarHBondContact O-N 3.47Å; D345-M348 PolarHBondContact O-N 3.04Å; M348-G350 PolarHBondContact O-N 3.35Å; M348-V353 HydrophobicContact SD-CG1 4.04Å; M348-V353 HydrophobicContact SD-CG2 4.26Å
349K91.3Very high92Very high191 Ų19196.5 Ų96.583%0.8349%0.485SS*.THydrogen-bonded Turntrans-64.3-19.5171.6-70.2177.2-176.4179.50113.4D345 K347D345-K349 WeakPolarHBondContact O-CG 3.41Å; D345-K349 PolarHBondContact O-N 3.4Å; K347-K349 VanDerWaalsContact C-N 3.28Å; K347-K349 PolarHBondContact O-N 2.67Å
350G90.8Very high91.9Very high33 Ų33102.4 Ų102.434%0.3452%0.516SS..SBendtrans-93.7157.518000000113.3K347 M348 K352K347-G350 WeakPolarHBondContact O-CA 3.38Å; K347-G350 PolarHBondContact O-N 3.2Å; M348-G350 PolarHBondContact O-N 3.35Å; G350-K352 VanDerWaalsContact C-N 3.28Å; G350-K352 PolarHBondContact O-N 3.24Å
351K90.9Very high91.8Very high186 Ų186107.6 Ų107.681%0.80954%0.54SS*.G310 helixtrans-73.5-15.4-179.1-60.8-175179.7-176.30114.7V353 H354K351-V353 PolarHBondContact O-N 3.3Å; K351-H354 PolarHBondContact O-N 3.31Å
352K88.4Confident91.9Very high158 Ų158112.1 Ų112.169%0.68756%0.555SS**G310 helixtrans-71.5-10.2-173.6-65.2-169.3176.9-1720114.5G350 H354G350-K352 VanDerWaalsContact C-N 3.28Å; G350-K352 PolarHBondContact O-N 3.24Å; K352-H354 VanDerWaalsContact C-N 3.3Å
353V90.9Very high92Very high23 Ų23111.3 Ų111.314%0.13956%0.564CS.*G310 helixtrans-67.5-35.8177.2-1790000110.6K347 M348 K351 D355 V356 L357K347-V353 HydrophobicContact CB-CG2 4.4Å; K347-V353 WeakPolarHBondContact O-CG2 3.43Å; M348-V353 HydrophobicContact SD-CG1 4.04Å; M348-V353 HydrophobicContact SD-CG2 4.26Å; K351-V353 PolarHBondContact O-N 3.3Å; V353-D355 VanDerWaalsContact C-N 3.26Å; V353-D355 PolarHBondContact O-N 3.03Å; V353-V356 WeakPolarHBondContact O-CG2 3.25Å; V353-V356 PolarHBondContact O-N 3.43Å; V353-V356 VanDerWaalsContact O-N 3.07Å; V353-L357 HydrophobicContact CG1-CD2 4.24Å; V353-L357 PolarHBondContact O-N 3.13Å
354H89.3Confident92.1Very high138 Ų138114.7 Ų114.764%0.63959%0.591SS**G310 helixtrans-59.4-36.7-178.5-65.9-62.7000112.9K351 K352 V356 L357K351-H354 PolarHBondContact O-N 3.31Å; K352-H354 VanDerWaalsContact C-N 3.3Å; H354-V356 PolarHBondContact O-N 2.97Å; H354-L357 HydrophobicContact CB-CD1 4.47Å; H354-L357 PolarHBondContact O-N 3.38Å
355D92.6Very high92Very high122 Ų122116.8 Ų116.865%0.65261%0.606SS**G310 helixtrans-64.8-21.8179.8-57.2-22.3000113.4V353 N358V353-D355 VanDerWaalsContact C-N 3.26Å; V353-D355 PolarHBondContact O-N 3.03Å; D355-N358 PolarHBondContact O-OD1 2.93Å
356V92.6Very high91.9Very high58 Ų58116.7 Ų116.735%0.35262%0.619SS.*G310 helixtrans-109.5-2.6-176.6-63.30000113.7V353 H354 N358 R359 L360V353-V356 WeakPolarHBondContact O-CG2 3.25Å; V353-V356 PolarHBondContact O-N 3.43Å; V353-V356 VanDerWaalsContact O-N 3.07Å; H354-V356 PolarHBondContact O-N 2.97Å; V356-N358 PolarHBondContact O-N 2.72Å; V356-R359 WeakPolarHBondContact O-CB 3.31Å; V356-R359 PolarHBondContact O-N 3.47Å; V356-L360 HydrophobicContact CG2-CD1 4.46Å; V356-L360 PolarHBondContact O-N 3.5Å
357L93Very high91.8Very high85 Ų85124.7 Ų124.745%0.44564%0.64SS.*Hα-helixtrans-59-36.1-179.4-75.7174.6000112.5V353 H354 R359 L360 H361V353-L357 HydrophobicContact CG1-CD2 4.24Å; V353-L357 PolarHBondContact O-N 3.13Å; H354-L357 HydrophobicContact CB-CD1 4.47Å; H354-L357 PolarHBondContact O-N 3.38Å; L357-R359 PolarHBondContact O-N 3.47Å; L357-L360 PolarHBondContact O-N 2.82Å; L357-L360 VanDerWaalsContact O-N 3.15Å; L357-H361 PolarHBondContact O-N 3.14Å
358N93.6Very high91.7Very high119 Ų119128 Ų12864%0.63665%0.649SS**Hα-helixtrans-60.4-29.1175.361.4-13000113.6D355 V356D355-N358 PolarHBondContact O-OD1 2.93Å; V356-N358 PolarHBondContact O-N 2.72Å
359R93.9Very high91.8Very high213 Ų213125.8 Ų125.880%0.80464%0.64SS**Hα-helixtrans-82.5-25.5177.3-59.3180-172.7-174.50.1112.8V356 L357V356-R359 WeakPolarHBondContact O-CB 3.31Å; V356-R359 PolarHBondContact O-N 3.47Å; L357-R359 PolarHBondContact O-N 3.47Å
360L92.8Very high91.8Very high128 Ų128126.4 Ų126.467%0.6765%0.646SS**Hα-helixtrans-84.2-23.8178.7-68.6165.1000112V356 L357 L362V356-L360 HydrophobicContact CG2-CD1 4.46Å; V356-L360 PolarHBondContact O-N 3.5Å; L357-L360 PolarHBondContact O-N 2.82Å; L357-L360 VanDerWaalsContact O-N 3.15Å; L360-L362 PolarHBondContact O-N 3.32Å
361H93.6Very high91.8Very high138 Ų138132.8 Ų132.864%0.63966%0.664SS**  trans-72.9108.6-179.4179.8-88.6000111.6L357 A363L357-H361 PolarHBondContact O-N 3.14Å; H361-A363 PolarHBondContact O-N 3.45Å
362L95.6Very high91.8Very high149 Ų149128.3 Ų128.378%0.7866%0.662SS**  trans-78.8111.1168.9-177.564.4000109.4L360 V364L360-L362 PolarHBondContact O-N 3.32Å; L362-V364 PolarHBondContact O-N 3.33Å
363A94.4Very high91.8Very high75 Ų75129.9 Ų129.962%0.6266%0.664SS**PPolyproline II helixtrans-69.2116.7178.300000110.8H361H361-A363 PolarHBondContact O-N 3.45Å
364V93.6Very high91.9Very high128 Ų128133.8 Ų133.878%0.77669%0.689SS**PPolyproline II helixtrans-89.8117.2173.6-177.30000108.2L362 A366L362-V364 PolarHBondContact O-N 3.33Å; V364-A366 PolarHBondContact O-N 2.77Å
365P91.1Very high92.1Very high117 Ų117132.5 Ų132.576%0.7669%0.694SS**PPolyproline II helixtrans-67.4127.1-177.826.6-33000110.8
366A90.3Very high92.2Very high94 Ų94135.8 Ų135.878%0.77770%0.702SS**PPolyproline II helixtrans-71.1139.7169.500000110.1V364 R368V364-A366 PolarHBondContact O-N 2.77Å; A366-R368 PolarHBondContact O-N 2.86Å; A366-R368 VanDerWaalsContact O-N 3.15Å
367K88.8Confident92.1Very high216 Ų216138.7 Ų138.794%0.93972%0.715SS**  trans-64.8114.9175.5-70.5-174.3179.1-177.80109.1
368R88.6Confident92.2Very high192 Ų192138 Ų13873%0.72572%0.716SS**  trans-93.1-53178.2-165.2-170.576.2-1773.8112.3A366A366-R368 PolarHBondContact O-N 2.86Å; A366-R368 VanDerWaalsContact O-N 3.15Å
369D92.4Very high92Very high79 Ų79137.9 Ų137.942%0.42271%0.711SS.*  trans-133.2165.2-176.2-43.2-32000109.6K371D369-K371 VanDerWaalsContact C-N 3.26Å; D369-K371 PolarHBondContact O-N 3.19Å
370E90.1Very high91.7Very high204 Ų204130.5 Ų130.595%0.95370%0.701SS**SBendtrans-82.57.2176.6-61.8-171.8161.200114.2A372E370-A372 PolarHBondContact O-N 3.04Å
371K91.6Very high91.4Very high166 Ų166127.4 Ų127.472%0.72269%0.694SS**  trans-77.2118.8-179.5-66.2-176.5179.8-178.70111.5D369D369-K371 VanDerWaalsContact C-N 3.26Å; D369-K371 PolarHBondContact O-N 3.19Å
372A90.3Very high90.9Very high93 Ų93128.2 Ų128.277%0.76969%0.691SS**  trans-70.6133.617300000111.5E370E370-A372 PolarHBondContact O-N 3.04Å
373R89.2Confident90.2Very high190 Ų190126 Ų12672%0.71768%0.679SS**  trans-125.575.2175.3-63-179.6-172.1149.46.2109.8
374P92.9Very high89.3Confident105 Ų105123.7 Ų123.768%0.68266%0.662SS**  trans-69.4151.9179.929.8-34.5000111.3F376P374-F376 PolarHBondContact O-N 3.33Å
375P93.3Very high88.3Confident112 Ų112126.9 Ų126.973%0.72766%0.66SS**  trans-65.9127.7170.128.1-32.9000109.9I377P375-I377 PolarHBondContact O-N 3.29Å
376F93.8Very high87.3Confident191 Ų191128 Ų12884%0.83865%0.654SS**  trans-90.999176.1-176-105.1000110P374 P378P374-F376 PolarHBondContact O-N 3.33Å; F376-P378 HydrophobicContact CD1-CG 4.44Å; F376-P378 HydrophobicContact CE1-CG 4.05Å
377I92.1Very high86.1Confident119 Ų119127.1 Ų127.161%0.6164%0.638SS**  trans-107.7112.6175.1-58.9173.1000107.3P375P375-I377 PolarHBondContact O-N 3.29Å
378P93.6Very high84.8Confident71 Ų71124.9 Ų124.946%0.46163%0.633SS.*  trans-62.1146.4178.8-22.632.8000112.4F376 G380 A381 R382F376-P378 HydrophobicContact CD1-CG 4.44Å; F376-P378 HydrophobicContact CE1-CG 4.05Å; P378-G380 PolarHBondContact O-N 2.82Å; P378-A381 PolarHBondContact O-N 3.45Å; P378-A381 VanDerWaalsContact O-N 3.12Å; P378-R382 PolarHBondContact O-N 3.48Å
379E90.3Very high83.5Confident116 Ų116123.4 Ų123.454%0.54264%0.635SS.*Hα-helixtrans-60.8-32.4-179.8-75.7-62.316300113A381 R382 I383E379-A381 VanDerWaalsContact C-N 3.31Å; E379-A381 PolarHBondContact O-N 2.98Å; E379-R382 WeakPolarHBondContact O-CB 3.34Å; E379-R382 PolarHBondContact O-N 3.43Å; E379-R382 VanDerWaalsContact O-N 3.09Å; E379-R382 IonicContact OE1-NH1 3.43Å; E379-I383 WeakPolarHBondContact O-CG1 3.39Å; E379-I383 PolarHBondContact O-N 3.37Å
380G87.8Confident82Confident57 Ų57124.4 Ų124.459%0.58864%0.644SS**Hα-helixtrans-58.1-38.8175.100000113.7P378 G384P378-G380 PolarHBondContact O-N 2.82Å; G380-G384 PolarHBondContact O-N 2.75Å
381A86.3Confident80.7Confident63 Ų63123.1 Ų123.152%0.52164%0.643SS.*Hα-helixtrans-71-32.717700000112.1P378 E379 R385P378-A381 PolarHBondContact O-N 3.45Å; P378-A381 VanDerWaalsContact O-N 3.12Å; E379-A381 VanDerWaalsContact C-N 3.31Å; E379-A381 PolarHBondContact O-N 2.98Å; A381-R385 PolarHBondContact O-N 2.85Å
382R82.8Confident79.6Confident156 Ų156117.9 Ų117.959%0.58963%0.631SS**Hα-helixtrans-70.9-41178-166.4-179.1-178.5-175.10.5111.9P378 E379P378-R382 PolarHBondContact O-N 3.48Å; E379-R382 WeakPolarHBondContact O-CB 3.34Å; E379-R382 PolarHBondContact O-N 3.43Å; E379-R382 VanDerWaalsContact O-N 3.09Å; E379-R382 IonicContact OE1-NH1 3.43Å
383I82.2Confident78.5Confident103 Ų103119.7 Ų119.753%0.52864%0.635SS.*Hα-helixtrans-66.6-44.3173.8-63.7166.7000110.2E379 R385 K386 T387E379-I383 WeakPolarHBondContact O-CG1 3.39Å; E379-I383 PolarHBondContact O-N 3.37Å; I383-R385 VanDerWaalsContact C-N 3.25Å; I383-R385 PolarHBondContact O-N 3.35Å; I383-K386 WeakPolarHBondContact O-CB 3.39Å; I383-K386 PolarHBondContact O-N 3.03Å; I383-T387 HydrophobicContact CG2-CG2 4.49Å; I383-T387 PolarHBondContact O-N 2.88Å; I383-T387 VanDerWaalsContact O-N 3.13Å; I383-T387 PolarHBondContact O-OG1 3.33Å
384G75.1Confident77.7Confident26 Ų26120.4 Ų120.427%0.26864%0.643SS.*Hα-helixtrans-55.1-36.7179.300000114.1G380 K386 T387 M388G380-G384 PolarHBondContact O-N 2.75Å; G384-K386 PolarHBondContact O-N 2.9Å; G384-T387 VanDerWaalsContact CA-OG1 3.3Å; G384-T387 WeakPolarHBondContact CA-OG1 3.31Å; G384-T387 PolarHBondContact O-N 2.9Å; G384-T387 PolarHBondContact O-OG1 3.43Å; G384-M388 WeakPolarHBondContact O-CG 3.49Å; G384-M388 PolarHBondContact O-N 3.3Å
385R71.8Confident77.1Confident194 Ų194126.2 Ų126.273%0.73265%0.651SS**Hα-helixtrans-64.3-38.4175.8-172.2175.6177.5175-0.2112.7A381 I383A381-R385 PolarHBondContact O-N 2.85Å; I383-R385 VanDerWaalsContact C-N 3.25Å; I383-R385 PolarHBondContact O-N 3.35Å
386K69.8Low76.7Confident142 Ų142126.8 Ų126.862%0.61764%0.642SS**Hα-helixtrans-70.6-37.6177.4-66-176.8177.6-177.50111.7I383 G384 M388 E389I383-K386 WeakPolarHBondContact O-CB 3.39Å; I383-K386 PolarHBondContact O-N 3.03Å; G384-K386 PolarHBondContact O-N 2.9Å; K386-M388 VanDerWaalsContact C-N 3.3Å; K386-M388 PolarHBondContact O-N 3.14Å; K386-E389 PolarHBondContact O-N 3.09Å
387T65.8Low76.4Confident74 Ų74121.2 Ų121.245%0.45462%0.624SS.*Hα-helixtrans-68.8-26.9178.548.60000113.2I383 G384 E389 V390I383-T387 HydrophobicContact CG2-CG2 4.49Å; I383-T387 PolarHBondContact O-N 2.88Å; I383-T387 VanDerWaalsContact O-N 3.13Å; I383-T387 PolarHBondContact O-OG1 3.33Å; G384-T387 VanDerWaalsContact CA-OG1 3.3Å; G384-T387 WeakPolarHBondContact CA-OG1 3.31Å; G384-T387 PolarHBondContact O-N 2.9Å; G384-T387 PolarHBondContact O-OG1 3.43Å; T387-E389 PolarHBondContact O-N 3.16Å; T387-V390 PolarHBondContact O-N 3.48Å
388M61.9Low76.3Confident169 Ų169118 Ų11883%0.83361%0.607SS**THydrogen-bonded Turntrans-68.8-19.1174-74.4-174.3-179.400113.7G384 K386 V390G384-M388 WeakPolarHBondContact O-CG 3.49Å; G384-M388 PolarHBondContact O-N 3.3Å; K386-M388 VanDerWaalsContact C-N 3.3Å; K386-M388 PolarHBondContact O-N 3.14Å; M388-V390 VanDerWaalsContact C-N 3.31Å
389E60.8Low76.2Confident161 Ų161123.6 Ų123.675%0.75262%0.618SS**THydrogen-bonded Turntrans-81.8-13.5175-65.4174.4170.900112.1K386 T387K386-E389 PolarHBondContact O-N 3.09Å; T387-E389 PolarHBondContact O-N 3.16Å
390V61.5Low76.2Confident101 Ų101122 Ų12261%0.61261%0.613SS**THydrogen-bonded Turntrans-105.2140.6178.9-163.70000108.4T387 M388 A392T387-V390 PolarHBondContact O-N 3.48Å; M388-V390 VanDerWaalsContact C-N 3.31Å; V390-A392 PolarHBondContact O-N 3.27Å
391D62.1Low76.4Confident176 Ų176120.8 Ų120.894%0.94159%0.593SS**THydrogen-bonded Turntrans-72.844.9-175.7-134.53.7000112.7
392A68.1Low76.7Confident56 Ų56122.4 Ų122.446%0.46359%0.59SS.*PPolyproline II helixtrans-72147.3177.500000110.5V390 K394V390-A392 PolarHBondContact O-N 3.27Å; A392-K394 PolarHBondContact O-N 3.42Å
393P67.9Low77.3Confident131 Ų131120.4 Ų120.485%0.85160%0.595SS**PPolyproline II helixtrans-59.6124179.523.9-32.9000110.3R395P393-R395 PolarHBondContact O-N 3.46Å
394K72.2Confident77.8Confident205 Ų205121.6 Ų121.689%0.89160%0.598SS**PPolyproline II helixtrans-62.6134.1178-67.5178.6-177.7173.50109.6A392 K396A392-K394 PolarHBondContact O-N 3.42Å; K394-K396 PolarHBondContact O-N 2.96Å
395R79.3Confident78.6Confident228 Ų228124.6 Ų124.686%0.8661%0.606SS**PPolyproline II helixtrans-56.7129.7169.3-178.6178.9177.1177.50.1108.7P393 T397P393-R395 PolarHBondContact O-N 3.46Å; R395-T397 PolarHBondContact O-N 3.22Å
396K85.2Confident79.7Confident124 Ų124117.2 Ų117.254%0.53959%0.591SS.*PPolyproline II helixtrans-55.1125.6172.8-74.7-167.5172.9-166.10109.1K394 L401 E404K394-K396 PolarHBondContact O-N 2.96Å; K396-L401 HydrophobicContact CD-CD2 4.15Å; K396-E404 IonicContact NZ-OE1 2.7Å; K396-E404 IonicContact NZ-OE2 3.4Å; K396-E404 PolarHBondContact NZ-OE2 3.43Å
397T89.1Confident80.8Confident73 Ų73118.7 Ų118.745%0.44861%0.606SS.*PPolyproline II helixtrans-83.3159.3173.967.60000109.8R395 R399 D400 L401R395-T397 PolarHBondContact O-N 3.22Å; T397-R399 PolarHBondContact O-N 3.3Å; T397-D400 WeakPolarHBondContact CB-OD2 3.03Å; T397-D400 PolarHBondContact N-OD2 2.93Å; T397-D400 WeakPolarHBondContact O-CB 3.3Å; T397-D400 PolarHBondContact O-N 3.45Å; T397-D400 PolarHBondContact OG1-N 3.29Å; T397-D400 PolarHBondContact OG1-OD2 3.44Å; T397-L401 PolarHBondContact O-N 3.13Å
398E89.1Confident82.2Confident53 Ų53122.1 Ų122.125%0.24862%0.621CS.*Hα-helixtrans-62.6-29177.9-155.363.7-152.400112D400 L401 E402 Y409 L411 Y416E398-D400 VanDerWaalsContact C-N 3.31Å; E398-D400 PolarHBondContact O-N 3.4Å; E398-L401 WeakPolarHBondContact O-CB 3.37Å; E398-L401 PolarHBondContact O-N 3.41Å; E398-E402 WeakPolarHBondContact O-CB 3.4Å; E398-E402 PolarHBondContact O-N 2.96Å; E398-Y409 WeakPolarHBondContact CG-OH 3.37Å; E398-Y409 PolarHBondContact OE1-OH 2.94Å; E398-L411 HydrophobicContact CG-CD1 4.13Å; E398-Y416 PolarHBondContact OE1-OH 3.1Å; E398-Y416 PolarHBondContact OE2-OH 3.49Å
399R90.3Very high83.7Confident188 Ų188116 Ų11671%0.70959%0.589SS**Hα-helixtrans-64.8-34.8172.2-174.2174.8-177.41623112.5T397 L401 V403T397-R399 PolarHBondContact O-N 3.3Å; R399-L401 VanDerWaalsContact C-N 3.33Å; R399-V403 VanDerWaalsContact O-CG2 3.28Å; R399-V403 WeakPolarHBondContact O-CG2 3.12Å; R399-V403 PolarHBondContact O-N 2.6Å
400D92.1Very high85.2Confident81 Ų81115.2 Ų115.243%0.43359%0.588SS.*Hα-helixtrans-69.1-37.5176.2-55.2-44.2000110.5T397 E398 V403 E404T397-D400 WeakPolarHBondContact CB-OD2 3.03Å; T397-D400 PolarHBondContact N-OD2 2.93Å; T397-D400 WeakPolarHBondContact O-CB 3.3Å; T397-D400 PolarHBondContact O-N 3.45Å; T397-D400 PolarHBondContact OG1-N 3.29Å; T397-D400 PolarHBondContact OG1-OD2 3.44Å; E398-D400 VanDerWaalsContact C-N 3.31Å; E398-D400 PolarHBondContact O-N 3.4Å; D400-V403 PolarHBondContact O-N 3.05Å; D400-E404 WeakPolarHBondContact O-CB 3.23Å; D400-E404 PolarHBondContact O-N 2.92Å
401L90.6Very high86.7Confident33 Ų33114.8 Ų114.817%0.17358%0.582CS.*Hα-helixtrans-67.4-41.3174.5-67.1174000112.1K396 T397 E398 R399 V403 E404 M405K396-L401 HydrophobicContact CD-CD2 4.15Å; T397-L401 PolarHBondContact O-N 3.13Å; E398-L401 WeakPolarHBondContact O-CB 3.37Å; E398-L401 PolarHBondContact O-N 3.41Å; R399-L401 VanDerWaalsContact C-N 3.33Å; L401-V403 VanDerWaalsContact C-N 3.35Å; L401-E404 PolarHBondContact O-N 3.16Å; L401-M405 HydrophobicContact CB-CE 3.87Å; L401-M405 WeakPolarHBondContact O-CB 3.34Å; L401-M405 PolarHBondContact O-N 3.38Å
402E93.4Very high88.1Confident97 Ų97108.7 Ų108.745%0.45355%0.55SS..Hα-helixtrans-58.2-45.8173.1176.3-177.3-152.100111.2E398 E404 G406 Y409E398-E402 WeakPolarHBondContact O-CB 3.4Å; E398-E402 PolarHBondContact O-N 2.96Å; E402-E404 VanDerWaalsContact C-N 3.35Å; E402-E404 PolarHBondContact O-N 3.32Å; E402-G406 WeakPolarHBondContact O-CA 3.15Å; E402-G406 PolarHBondContact O-N 2.89Å; E402-Y409 HydrophobicContact CB-CD1 3.77Å; E402-Y409 HydrophobicContact CB-CD2 4.39Å; E402-Y409 HydrophobicContact CB-CE1 3.8Å; E402-Y409 HydrophobicContact CB-CE2 4.42Å; E402-Y409 HydrophobicContact CB-CG 4.06Å; E402-Y409 HydrophobicContact CG-CD1 3.61Å; E402-Y409 HydrophobicContact CG-CE1 3.91Å; E402-Y409 HydrophobicContact CG-CG 4.19Å
403V94.3Very high89.2Confident113 Ų113111.2 Ų111.269%0.68556%0.555SS**Hα-helixtrans-68-34.3178.1172.50000112.1R399 D400 L401R399-V403 VanDerWaalsContact O-CG2 3.28Å; R399-V403 WeakPolarHBondContact O-CG2 3.12Å; R399-V403 PolarHBondContact O-N 2.6Å; D400-V403 PolarHBondContact O-N 3.05Å; L401-V403 VanDerWaalsContact C-N 3.35Å
404E94Very high90.2Very high129 Ų129107.8 Ų107.860%0.60353%0.527SS*.Hα-helixtrans-70.5-40.3178.1-173.8171.9-174.600112.2K396 D400 L401 E402K396-E404 IonicContact NZ-OE1 2.7Å; K396-E404 IonicContact NZ-OE2 3.4Å; K396-E404 PolarHBondContact NZ-OE2 3.43Å; D400-E404 WeakPolarHBondContact O-CB 3.23Å; D400-E404 PolarHBondContact O-N 2.92Å; L401-E404 PolarHBondContact O-N 3.16Å; E402-E404 VanDerWaalsContact C-N 3.35Å; E402-E404 PolarHBondContact O-N 3.32Å
405M92.2Very high90.9Very high88 Ų88102.4 Ų102.443%0.43350%0.504SS..Hα-helixtrans-88.1-23.6-178.6-72.2-172.1-91.700113.8L401 D407 D408 Y409L401-M405 HydrophobicContact CB-CE 3.87Å; L401-M405 WeakPolarHBondContact O-CB 3.34Å; L401-M405 PolarHBondContact O-N 3.38Å; M405-D407 PolarHBondContact O-N 3.23Å; M405-D408 PolarHBondContact O-N 3.41Å; M405-Y409 HydrophobicContact CB-CD2 4.39Å; M405-Y409 HydrophobicContact CE-CD2 3.45Å; M405-Y409 VanDerWaalsContact CE-CD2 3.45Å; M405-Y409 HydrophobicContact CE-CE2 3.87Å; M405-Y409 HydrophobicContact SD-CD2 4.23Å
406G94.1Very high91.2Very high40 Ų4096.9 Ų96.941%0.41248%0.484SS..G310 helixtrans60.2-123.8177.200000112.5E402 D408 Y409E402-G406 WeakPolarHBondContact O-CA 3.15Å; E402-G406 PolarHBondContact O-N 2.89Å; G406-D408 VanDerWaalsContact C-N 3.27Å; G406-D408 PolarHBondContact O-N 3.21Å; G406-Y409 VanDerWaalsContact O-CB 3.25Å; G406-Y409 WeakPolarHBondContact O-CB 3.45Å; G406-Y409 PolarHBondContact O-N 3.36Å
407D93.3Very high91.5Very high173 Ų17396.7 Ų96.793%0.92548%0.48SS*.G310 helixtrans-70.6-21.9-177.4-68.2-18.2000113.2M405 Y409M405-D407 PolarHBondContact O-N 3.23Å; D407-Y409 PolarHBondContact O-N 3.45Å
408D93.8Very high91.6Very high145 Ų145100.6 Ų100.678%0.77550%0.498SS*.G310 helixtrans-81.6-3.1177.5-66.2-31.1000112.3M405 G406 I410M405-D408 PolarHBondContact O-N 3.41Å; G406-D408 VanDerWaalsContact C-N 3.27Å; G406-D408 PolarHBondContact O-N 3.21Å; D408-I410 PolarHBondContact O-N 2.64Å
409Y94.6Very high91.7Very high41 Ų41101.5 Ų101.516%0.16150%0.504CS..  trans-71.6122.9180179.3-113.2000111.8E398 E402 M405 G406 D407 L411E398-Y409 WeakPolarHBondContact CG-OH 3.37Å; E398-Y409 PolarHBondContact OE1-OH 2.94Å; E402-Y409 HydrophobicContact CB-CD1 3.77Å; E402-Y409 HydrophobicContact CB-CD2 4.39Å; E402-Y409 HydrophobicContact CB-CE1 3.8Å; E402-Y409 HydrophobicContact CB-CE2 4.42Å; E402-Y409 HydrophobicContact CB-CG 4.06Å; E402-Y409 HydrophobicContact CG-CD1 3.61Å; E402-Y409 HydrophobicContact CG-CE1 3.91Å; E402-Y409 HydrophobicContact CG-CG 4.19Å; M405-Y409 HydrophobicContact CB-CD2 4.39Å; M405-Y409 HydrophobicContact CE-CD2 3.45Å; M405-Y409 VanDerWaalsContact CE-CD2 3.45Å; M405-Y409 HydrophobicContact CE-CE2 3.87Å; M405-Y409 HydrophobicContact SD-CD2 4.23Å; G406-Y409 VanDerWaalsContact O-CB 3.25Å; G406-Y409 WeakPolarHBondContact O-CB 3.45Å; G406-Y409 PolarHBondContact O-N 3.36Å; D407-Y409 PolarHBondContact O-N 3.45Å; Y409-L411 HydrophobicContact CE1-CB 4.2Å; Y409-L411 WeakPolarHBondContact OH-CD1 3.44Å
410I92.1Very high91.8Very high144 Ų144101.4 Ų101.474%0.73851%0.514SS*.  trans-122.2122.5169.7-57.8171.7000107.6D408 D412D408-I410 PolarHBondContact O-N 2.64Å; I410-D412 PolarHBondContact O-N 2.79Å
411L93Very high91.8Very high93 Ų93101.4 Ų101.449%0.48751%0.514SS..  trans-69.1100.3175.2176.968.5000109.6E398 Y409 L413E398-L411 HydrophobicContact CG-CD1 4.13Å; Y409-L411 HydrophobicContact CE1-CB 4.2Å; Y409-L411 WeakPolarHBondContact OH-CD1 3.44Å; L411-L413 HydrophobicContact CD2-CD2 3.92Å; L411-L413 HydrophobicContact CG-CD2 4.04Å; L411-L413 PolarHBondContact O-N 2.85Å
412D91.1Very high91.6Very high47 Ų47107.3 Ų107.325%0.25154%0.541SS..  trans-82.6106.5173.8178.58.8000110.6I410 Q414 K415 Y416 Y426I410-D412 PolarHBondContact O-N 2.79Å; D412-Q414 WeakPolarHBondContact OD1-CB 3.32Å; D412-Q414 PolarHBondContact OD1-N 3.47Å; D412-K415 HydrophobicContact CB-CB 4.33Å; D412-K415 PolarHBondContact OD1-N 2.89Å; D412-Y416 VanDerWaalsContact O-CE2 3.27Å; D412-Y416 WeakPolarHBondContact O-CE2 3.39Å; D412-Y426 WeakPolarHBondContact OD2-CE1 3.41Å; D412-Y426 VanDerWaalsContact OD2-CZ 3.3Å; D412-Y426 PolarHBondContact OD2-OH 3.49Å
413L91Very high91.4Very high109 Ų109110 Ų11057%0.57156%0.558SS**SBendtrans-74.5-30.2176.7-61.3178.4000112.4L411 K415 Y416L411-L413 HydrophobicContact CD2-CD2 3.92Å; L411-L413 HydrophobicContact CG-CD2 4.04Å; L411-L413 PolarHBondContact O-N 2.85Å; L413-K415 VanDerWaalsContact C-N 3.27Å; L413-K415 PolarHBondContact O-N 2.7Å; L413-Y416 PolarHBondContact O-N 2.82Å
414Q89.6Confident91.2Very high59 Ų59109 Ų10928%0.27655%0.546SS..G310 helixtrans-66.9-33.6-175.9-66.7176.1-11.200110.1D412 Y416 W417 K425 Y426D412-Q414 WeakPolarHBondContact OD1-CB 3.32Å; D412-Q414 PolarHBondContact OD1-N 3.47Å; Q414-Y416 PolarHBondContact O-N 3.19Å; Q414-W417 HydrophobicContact CB-CE3 4.36Å; Q414-W417 HydrophobicContact CG-CE3 4.16Å; Q414-W417 HydrophobicContact CG-CH2 3.88Å; Q414-W417 HydrophobicContact CG-CZ2 4.21Å; Q414-W417 HydrophobicContact CG-CZ3 3.84Å; Q414-W417 WeakPolarHBondContact O-CB 3.24Å; Q414-W417 PolarHBondContact O-N 3.01Å; Q414-K425 WeakPolarHBondContact O-CE 3.44Å; Q414-K425 WeakPolarHBondContact O-CG 3.28Å; Q414-Y426 HydrophobicContact CB-CD1 4.28Å; Q414-Y426 HydrophobicContact CB-CE1 4.13Å
415K86.3Confident91Very high93 Ų93105 Ų10540%0.40453%0.527SS..G310 helixtrans-46.4-26.3172.7-175.3178.3172.7-171.10115.4D412 L413 K425D412-K415 HydrophobicContact CB-CB 4.33Å; D412-K415 PolarHBondContact OD1-N 2.89Å; L413-K415 VanDerWaalsContact C-N 3.27Å; L413-K415 PolarHBondContact O-N 2.7Å; K415-K425 VanDerWaalsContact CA-CE 3.46Å; K415-K425 WeakPolarHBondContact O-CE 3.36Å; K415-K425 PolarHBondContact O-NZ 2.98Å
416Y86.9Confident91Very high112 Ų112107 Ų10744%0.43953%0.53SS..G310 helixtrans-98.8-2.8-177.6-50.9-75.4000114.5E398 D412 L413 Q414E398-Y416 PolarHBondContact OE1-OH 3.1Å; E398-Y416 PolarHBondContact OE2-OH 3.49Å; D412-Y416 VanDerWaalsContact O-CE2 3.27Å; D412-Y416 WeakPolarHBondContact O-CE2 3.39Å; L413-Y416 PolarHBondContact O-N 2.82Å; Q414-Y416 PolarHBondContact O-N 3.19Å
417W89.9Confident90.8Very high120 Ų120109.7 Ų109.746%0.45554%0.535SS..  trans-72.9137.2177.4-60.6-8.1000110.5Q414 L419 K425Q414-W417 HydrophobicContact CB-CE3 4.36Å; Q414-W417 HydrophobicContact CG-CE3 4.16Å; Q414-W417 HydrophobicContact CG-CH2 3.88Å; Q414-W417 HydrophobicContact CG-CZ2 4.21Å; Q414-W417 HydrophobicContact CG-CZ3 3.84Å; Q414-W417 WeakPolarHBondContact O-CB 3.24Å; Q414-W417 PolarHBondContact O-N 3.01Å; W417-L419 HydrophobicContact CB-CG 4.43Å; W417-K425 WeakPolarHBondContact O-CE 3.33Å; W417-K425 PolarHBondContact O-NZ 3.4Å
418D91.6Very high90.7Very high154 Ų154107.8 Ų107.882%0.82453%0.53SS*.  trans-108.3100.3175-162.115.7000107.3
419L91.9Very high90.5Very high72 Ų72106.5 Ų106.538%0.37752%0.521SS..  trans-108.1161.2-177.2-62.6-179.2000109.9W417 N421 K425W417-L419 HydrophobicContact CB-CG 4.43Å; L419-N421 VanDerWaalsContact C-N 3.28Å; L419-N421 WeakPolarHBondContact CB-O 3.39Å; L419-N421 PolarHBondContact O-N 3.49Å; L419-K425 HydrophobicContact CD1-CB 4.43Å
420M91.3Very high90.5Very high186 Ų186108.6 Ų108.692%0.91654%0.54SS*.SBendtrans-57.4-43.9177.3-168.871.6-177.600111.6
421N92.3Very high90.4Very high82 Ų82108.9 Ų108.944%0.43954%0.539SS..SBendtrans-111.9130.9173.3-64.4-27.7000109.3L419 D423 E424L419-N421 VanDerWaalsContact C-N 3.28Å; L419-N421 WeakPolarHBondContact CB-O 3.39Å; L419-N421 PolarHBondContact O-N 3.49Å; N421-D423 VanDerWaalsContact C-N 3.31Å; N421-D423 PolarHBondContact O-N 3.2Å; N421-E424 HydrophobicContact CB-CG 4.14Å; N421-E424 PolarHBondContact ND2-OE1 3.1Å
422Q87.8Confident90.5Very high157 Ų157109.8 Ų109.873%0.73454%0.542SS*.SBendtrans-74.8-22.9-179.3-67.4-175-1.100113.1E424 K425Q422-E424 VanDerWaalsContact C-N 3.33Å; Q422-K425 VanDerWaalsContact O-CB 3.25Å; Q422-K425 WeakPolarHBondContact O-CB 3.14Å; Q422-K425 PolarHBondContact O-N 3.49Å
423D89.4Confident90.5Very high153 Ų153115.7 Ų115.782%0.81856%0.562SS**G310 helixtrans-70.6-30.1-177.2-61.2-33.8000112.3N421 K425N421-D423 VanDerWaalsContact C-N 3.31Å; N421-D423 PolarHBondContact O-N 3.2Å; D423-K425 PolarHBondContact O-N 3.42Å
424E89.5Confident90.6Very high93 Ų93118.2 Ų118.244%0.43557%0.57SS.*G310 helixtrans-791.3-177.7-63.4168.2-166.100113.1N421 Q422 Y426 D427N421-E424 HydrophobicContact CB-CG 4.14Å; N421-E424 PolarHBondContact ND2-OE1 3.1Å; Q422-E424 VanDerWaalsContact C-N 3.33Å; E424-Y426 VanDerWaalsContact C-N 3.26Å; E424-Y426 PolarHBondContact O-N 3.4Å; E424-D427 WeakPolarHBondContact CA-OD2 3.29Å; E424-D427 WeakPolarHBondContact O-CB 3.35Å; E424-D427 PolarHBondContact O-N 3.26Å
425K90.1Very high90.6Very high44 Ų44118.8 Ų118.819%0.19159%0.592CS.*G310 helixtrans-65.2-28.8-171.5-170.1166.7-174.3160.70114.2Q414 K415 W417 L419 Q422 D423Q414-K425 WeakPolarHBondContact O-CE 3.44Å; Q414-K425 WeakPolarHBondContact O-CG 3.28Å; K415-K425 VanDerWaalsContact CA-CE 3.46Å; K415-K425 WeakPolarHBondContact O-CE 3.36Å; K415-K425 PolarHBondContact O-NZ 2.98Å; W417-K425 WeakPolarHBondContact O-CE 3.33Å; W417-K425 PolarHBondContact O-NZ 3.4Å; L419-K425 HydrophobicContact CD1-CB 4.43Å; Q422-K425 VanDerWaalsContact O-CB 3.25Å; Q422-K425 WeakPolarHBondContact O-CB 3.14Å; Q422-K425 PolarHBondContact O-N 3.49Å; D423-K425 PolarHBondContact O-N 3.42Å
426Y90.8Very high90.8Very high129 Ų129119.5 Ų119.551%0.50660%0.597SS.*G310 helixtrans-104.810.6-179.8-68.2-75.8000112.7D412 Q414 E424D412-Y426 WeakPolarHBondContact OD2-CE1 3.41Å; D412-Y426 VanDerWaalsContact OD2-CZ 3.3Å; D412-Y426 PolarHBondContact OD2-OH 3.49Å; Q414-Y426 HydrophobicContact CB-CD1 4.28Å; Q414-Y426 HydrophobicContact CB-CE1 4.13Å; E424-Y426 VanDerWaalsContact C-N 3.26Å; E424-Y426 PolarHBondContact O-N 3.4Å
427D91.5Very high91.2Very high98 Ų98118 Ų11852%0.52460%0.597SS.*  trans-69.4138178.4-73.4-9.5000110.9E424 I429E424-D427 WeakPolarHBondContact CA-OD2 3.29Å; E424-D427 WeakPolarHBondContact O-CB 3.35Å; E424-D427 PolarHBondContact O-N 3.26Å; D427-I429 PolarHBondContact O-N 2.99Å
428V90.2Very high91.4Very high132 Ų132114.9 Ų114.980%0.859%0.588SS**  trans-83.5111.8178.6-178.40000108.4P430V428-P430 WeakPolarHBondContact O-CD 3.38Å
429I90.1Very high91.5Very high118 Ų118110.9 Ų110.961%0.60558%0.576SS**  trans-69.9116.8175-58.5173.4000108.5D427 E431D427-I429 PolarHBondContact O-N 2.99Å; I429-E431 PolarHBondContact O-N 3.42Å
430P93.4Very high91.5Very high86 Ų86113.1 Ų113.156%0.55859%0.589SS**  trans-68.8124.3174.1-15.731.8000109.2V428 I438V428-P430 WeakPolarHBondContact O-CD 3.38Å; P430-I438 HydrophobicContact CB-CD1 3.6Å; P430-I438 WeakPolarHBondContact O-CB 3.3Å; P430-I438 VanDerWaalsContact O-CD1 3.26Å; P430-I438 WeakPolarHBondContact O-CD1 3.39Å
431E91.8Very high91.5Very high150 Ų150110.7 Ų110.770%0.70157%0.571SS**  trans-92.8-35.1-175.6-65.3-17617000112.9I429 N437 I438I429-E431 PolarHBondContact O-N 3.42Å; E431-N437 CarbonylContact O-C 3.54Å; E431-N437 WeakPolarHBondContact O-CA 3.14Å; E431-I438 PolarHBondContact O-N 3.33Å
432I93.6Very high91.5Very high111 Ų111113 Ų11357%0.56958%0.581SS**EExtended strand (participates in β ladder)trans-132.4134.9-170.2-61.4167.9000110.5H436I432-H436 CarbonylContact C-O 3.5Å; I432-H436 WeakPolarHBondContact CA-O 3.26Å
433W92.3Very high91.8Very high172 Ų172108.9 Ų108.965%0.65256%0.564SS**EExtended strand (participates in β ladder)trans-133.1120.4170.9-174.8-92.1000110.4G435 H436 I438W433-G435 PolarHBondContact O-N 3.23Å; W433-H436 PolarHBondContact N-O 3.33Å; W433-H436 PolarHBondContact O-N 3.47Å; W433-I438 HydrophobicContact CB-CD1 4.05Å; W433-I438 HydrophobicContact CB-CG1 4.06Å
434E91.5Very high92Very high161 Ų161107.7 Ų107.775%0.75257%0.565SS**THydrogen-bonded Turntrans4839.8173.5-63.6-176.6158.400114.9H436E434-H436 PolarHBondContact O-ND1 3.45Å
435G90.8Very high92.2Very high72 Ų72108.1 Ų108.174%0.74257%0.57SS**THydrogen-bonded Turntrans86.72.1178.900000115.5W433W433-G435 PolarHBondContact O-N 3.23Å
436H91.4Very high92.4Very high107 Ų107109.5 Ų109.550%0.49558%0.579SS.*EExtended strand (participates in β ladder)trans-110.9148.2176-55.983.2000110.6I432 W433 E434 Y441I432-H436 CarbonylContact C-O 3.5Å; I432-H436 WeakPolarHBondContact CA-O 3.26Å; W433-H436 PolarHBondContact N-O 3.33Å; W433-H436 PolarHBondContact O-N 3.47Å; E434-H436 PolarHBondContact O-ND1 3.45Å; H436-Y441 HydrophobicContact CB-CE2 4.17Å
437N94.2Very high92.5Very high82 Ų82109.4 Ų109.444%0.43959%0.585SS.*EExtended strand (participates in β ladder)trans-85.4132.4173.9-49.4-47.7000109.4E431 A439 D440 Y441E431-N437 CarbonylContact O-C 3.54Å; E431-N437 WeakPolarHBondContact O-CA 3.14Å; N437-A439 VanDerWaalsContact C-N 3.29Å; N437-A439 PolarHBondContact O-N 2.93Å; N437-D440 WeakPolarHBondContact CB-OD2 3.02Å; N437-D440 PolarHBondContact ND2-OD2 2.93Å; N437-D440 PolarHBondContact O-N 2.81Å; N437-Y441 VanDerWaalsContact O-CD2 3.3Å; N437-Y441 WeakPolarHBondContact O-CD2 3.33Å
438I93.9Very high92.6Very high53 Ų53111 Ų11127%0.27259%0.587SS.*G310 helixtrans-70.3-30.6-179.8-67.6168.1000111P430 E431 W433 D440 Y441P430-I438 HydrophobicContact CB-CD1 3.6Å; P430-I438 WeakPolarHBondContact O-CB 3.3Å; P430-I438 VanDerWaalsContact O-CD1 3.26Å; P430-I438 WeakPolarHBondContact O-CD1 3.39Å; E431-I438 PolarHBondContact O-N 3.33Å; W433-I438 HydrophobicContact CB-CD1 4.05Å; W433-I438 HydrophobicContact CB-CG1 4.06Å; I438-D440 PolarHBondContact O-N 3.16Å; I438-D440 VanDerWaalsContact O-N 3.13Å; I438-Y441 PolarHBondContact O-N 3Å
439A93.5Very high92.6Very high70 Ų70108.7 Ų108.758%0.57957%0.57SS**G310 helixtrans-56.6-28.8176.700000113.5N437 Y441 I442N437-A439 VanDerWaalsContact C-N 3.29Å; N437-A439 PolarHBondContact O-N 2.93Å; A439-Y441 PolarHBondContact O-N 3.32Å; A439-I442 PolarHBondContact O-N 2.66Å
440D92.7Very high92.8Very high120 Ų120107 Ų10764%0.64256%0.562SS**G310 helixtrans-70.5-17178.6-62-28.7000112.2N437 I438N437-D440 WeakPolarHBondContact CB-OD2 3.02Å; N437-D440 PolarHBondContact ND2-OD2 2.93Å; N437-D440 PolarHBondContact O-N 2.81Å; I438-D440 PolarHBondContact O-N 3.16Å; I438-D440 VanDerWaalsContact O-N 3.13Å
441Y90.7Very high92.8Very high135 Ų135107.8 Ų107.853%0.52956%0.558SS.*G310 helixtrans-110.96.8-177.3-60.3-90000113.3H436 N437 I438 A439 D443H436-Y441 HydrophobicContact CB-CE2 4.17Å; N437-Y441 VanDerWaalsContact O-CD2 3.3Å; N437-Y441 WeakPolarHBondContact O-CD2 3.33Å; I438-Y441 PolarHBondContact O-N 3Å; A439-Y441 PolarHBondContact O-N 3.32Å; Y441-D443 PolarHBondContact O-N 3.05Å; Y441-D443 VanDerWaalsContact O-N 3.12Å
442I93.4Very high92.8Very high129 Ų129104.6 Ų104.666%0.66255%0.546SS*.  trans-77.698.9176.3-59.9178.2000109A439A439-I442 PolarHBondContact O-N 2.66Å
443D93.1Very high92.7Very high71 Ų71103.9 Ų103.938%0.3854%0.543SS..  trans-135.6130.5175.7-172.9-28.8000108.9Y441 D445 I446Y441-D443 PolarHBondContact O-N 3.05Å; Y441-D443 VanDerWaalsContact O-N 3.12Å; D443-D445 PolarHBondContact O-N 3.11Å; D443-D445 VanDerWaalsContact O-N 3.12Å; D443-D445 PolarHBondContact OD1-N 2.91Å; D443-I446 HydrophobicContact CB-CB 4.29Å; D443-I446 PolarHBondContact O-N 3.43Å
444P93.6Very high92.7Very high128 Ų128100.9 Ų100.983%0.83154%0.536SS*.THydrogen-bonded Turntrans-54.4-26.4175.223.1-35.2000114
445D94.4Very high92.7Very high102 Ų10298.5 Ų98.555%0.54552%0.523SS..THydrogen-bonded Turntrans-105.615.1-175.3-66.7-33.6000114D443 M447 K448 N449D443-D445 PolarHBondContact O-N 3.11Å; D443-D445 VanDerWaalsContact O-N 3.12Å; D443-D445 PolarHBondContact OD1-N 2.91Å; D445-M447 VanDerWaalsContact C-N 3.34Å; D445-M447 PolarHBondContact O-N 2.87Å; D445-K448 WeakPolarHBondContact O-CB 3.27Å; D445-K448 PolarHBondContact O-N 3.47Å; D445-K448 VanDerWaalsContact O-N 3.13Å; D445-N449 PolarHBondContact O-N 3.34Å
446I93.3Very high92.6Very high73 Ų73100 Ų10037%0.37451%0.511SS..Hα-helixtrans-56.9-38.8-172-168.760.7000114.6D443 K448 N449 L450D443-I446 HydrophobicContact CB-CB 4.29Å; D443-I446 PolarHBondContact O-N 3.43Å; I446-K448 VanDerWaalsContact C-N 3.29Å; I446-K448 PolarHBondContact O-N 3.45Å; I446-N449 PolarHBondContact O-N 3.47Å; I446-L450 PolarHBondContact O-N 3.42Å
447M92.6Very high92.4Very high128 Ų12898 Ų9863%0.63150%0.502SS*.Hα-helixtrans-63.9-36.3-178.7-70.5-61.6-64.800111.9D445 L450 E451D445-M447 VanDerWaalsContact C-N 3.34Å; D445-M447 PolarHBondContact O-N 2.87Å; M447-L450 PolarHBondContact O-N 3.23Å; M447-E451 WeakPolarHBondContact O-CG 3.47Å; M447-E451 PolarHBondContact O-N 2.82Å; M447-E451 VanDerWaalsContact O-N 3.11Å
448K93.3Very high92.1Very high132 Ų13299.8 Ų99.857%0.57451%0.508SS*.Hα-helixtrans-67.8-42.3177.6-175.2-175.6174.5-1710111.1D445 I446 L450 E451 D452D445-K448 WeakPolarHBondContact O-CB 3.27Å; D445-K448 PolarHBondContact O-N 3.47Å; D445-K448 VanDerWaalsContact O-N 3.13Å; I446-K448 VanDerWaalsContact C-N 3.29Å; I446-K448 PolarHBondContact O-N 3.45Å; K448-L450 VanDerWaalsContact C-N 3.28Å; K448-L450 PolarHBondContact O-N 2.75Å; K448-E451 PolarHBondContact O-N 3.07Å; K448-D452 PolarHBondContact O-N 3.49Å
449N91.4Very high91.8Very high82 Ų82102.9 Ų102.944%0.43952%0.524SS..Hα-helixtrans-63.4-36.5176.9-64.8-21.3000111.6D445 I446 D452 L453D445-N449 PolarHBondContact O-N 3.34Å; I446-N449 PolarHBondContact O-N 3.47Å; N449-D452 PolarHBondContact O-N 2.81Å; N449-L453 PolarHBondContact O-N 3.25Å; N449-L453 VanDerWaalsContact O-N 3.17Å
450L93.5Very high91.3Very high83 Ų83102.4 Ų102.444%0.43551%0.509SS..Hα-helixtrans-64.6-45.9175.7-177.664.4000111.8I446 M447 K448 D452 L453 E454I446-L450 PolarHBondContact O-N 3.42Å; M447-L450 PolarHBondContact O-N 3.23Å; K448-L450 VanDerWaalsContact C-N 3.28Å; K448-L450 PolarHBondContact O-N 2.75Å; L450-D452 VanDerWaalsContact C-N 3.26Å; L450-D452 PolarHBondContact O-N 3.01Å; L450-L453 PolarHBondContact O-N 3.42Å; L450-L453 VanDerWaalsContact O-N 3.16Å; L450-E454 HydrophobicContact CD1-CG 4.45Å; L450-E454 WeakPolarHBondContact O-CG 3.17Å; L450-E454 PolarHBondContact O-N 2.82Å
451E93.2Very high90.8Very high102 Ų102101 Ų10148%0.47750%0.504SS..Hα-helixtrans-59.4-36177.4-73.6178.2-165.400113M447 K448 K455M447-E451 WeakPolarHBondContact O-CG 3.47Å; M447-E451 PolarHBondContact O-N 2.82Å; M447-E451 VanDerWaalsContact O-N 3.11Å; K448-E451 PolarHBondContact O-N 3.07Å; E451-K455 WeakPolarHBondContact O-CD 3.2Å; E451-K455 VanDerWaalsContact O-CG 3.29Å; E451-K455 WeakPolarHBondContact O-CG 2.99Å; E451-K455 PolarHBondContact O-N 3.12Å
452D92.3Very high90.5Very high84 Ų84102.3 Ų102.345%0.44951%0.513SS..Hα-helixtrans-72-36.6177.7-72.4-20.8000111.7K448 N449 L450 K455 E456K448-D452 PolarHBondContact O-N 3.49Å; N449-D452 PolarHBondContact O-N 2.81Å; L450-D452 VanDerWaalsContact C-N 3.26Å; L450-D452 PolarHBondContact O-N 3.01Å; D452-K455 PolarHBondContact O-N 3.41Å; D452-K455 IonicContact OD1-NZ 3.66Å; D452-E456 PolarHBondContact O-N 3.33Å; D452-E456 VanDerWaalsContact O-N 3.13Å
453L91.9Very high89.9Confident96 Ų9699.9 Ų99.950%0.50351%0.512SS..Hα-helixtrans-68.8-43.8177.2-160.1161.6000111.5N449 L450 K455 E456 E457N449-L453 PolarHBondContact O-N 3.25Å; N449-L453 VanDerWaalsContact O-N 3.17Å; L450-L453 PolarHBondContact O-N 3.42Å; L450-L453 VanDerWaalsContact O-N 3.16Å; L453-K455 VanDerWaalsContact C-N 3.3Å; L453-K455 PolarHBondContact O-N 2.95Å; L453-E456 WeakPolarHBondContact O-CB 3.43Å; L453-E456 PolarHBondContact O-N 2.99Å; L453-E457 HydrophobicContact CD2-CG 3.91Å; L453-E457 PolarHBondContact O-N 3.37Å
454E91.5Very high88.9Confident109 Ų10997.9 Ų97.951%0.50951%0.508SS..Hα-helixtrans-60.2-40.2176.2-72.1180166.900111.9L450 E456 E457 E458L450-E454 HydrophobicContact CD1-CG 4.45Å; L450-E454 WeakPolarHBondContact O-CG 3.17Å; L450-E454 PolarHBondContact O-N 2.82Å; E454-E456 VanDerWaalsContact C-N 3.32Å; E454-E456 PolarHBondContact O-N 3.26Å; E454-E457 PolarHBondContact O-N 2.85Å; E454-E458 WeakPolarHBondContact O-CG 3.21Å; E454-E458 PolarHBondContact O-N 3.23Å
455K91Very high88Confident110 Ų11098.1 Ų98.148%0.47850%0.498SS..Hα-helixtrans-63.4-37.6173.3-72.1168.2-164.6151.20112.2E451 D452 L453 L459E451-K455 WeakPolarHBondContact O-CD 3.2Å; E451-K455 VanDerWaalsContact O-CG 3.29Å; E451-K455 WeakPolarHBondContact O-CG 2.99Å; E451-K455 PolarHBondContact O-N 3.12Å; D452-K455 PolarHBondContact O-N 3.41Å; D452-K455 IonicContact OD1-NZ 3.66Å; L453-K455 VanDerWaalsContact C-N 3.3Å; L453-K455 PolarHBondContact O-N 2.95Å; K455-L459 VanDerWaalsContact O-CG 3.3Å; K455-L459 WeakPolarHBondContact O-CG 3.2Å; K455-L459 PolarHBondContact O-N 3.16Å
456E89.6Confident87Confident103 Ų10399.9 Ų99.948%0.48150%0.498SS..Hα-helixtrans-66-44.7176.2-167-172.4145.400111.4D452 L453 E454 L459 K460D452-E456 PolarHBondContact O-N 3.33Å; D452-E456 VanDerWaalsContact O-N 3.13Å; L453-E456 WeakPolarHBondContact O-CB 3.43Å; L453-E456 PolarHBondContact O-N 2.99Å; E454-E456 VanDerWaalsContact C-N 3.32Å; E454-E456 PolarHBondContact O-N 3.26Å; E456-L459 WeakPolarHBondContact O-CB 3.36Å; E456-L459 PolarHBondContact O-N 3.01Å; E456-L459 VanDerWaalsContact O-N 3.15Å; E456-K460 PolarHBondContact O-N 3.19Å; E456-K460 WeakPolarHBondContact OE1-CE 3.46Å; E456-K460 IonicContact OE1-NZ 3.37Å; E456-K460 PolarHBondContact OE1-NZ 3.18Å
457E86.8Confident85.8Confident66 Ų66104 Ų10431%0.30852%0.516SS..Hα-helixtrans-62.3-42.4176.2-77.2-65.7142.200111.9L453 E454 L459 K460 V461 Y466L453-E457 HydrophobicContact CD2-CG 3.91Å; L453-E457 PolarHBondContact O-N 3.37Å; E454-E457 PolarHBondContact O-N 2.85Å; E457-L459 PolarHBondContact O-N 3.4Å; E457-K460 PolarHBondContact O-N 3.49Å; E457-K460 VanDerWaalsContact O-N 3.13Å; E457-K460 IonicContact OE1-NZ 2.83Å; E457-V461 WeakPolarHBondContact O-CG2 3.43Å; E457-V461 PolarHBondContact O-N 2.89Å; E457-Y466 PolarHBondContact OE2-OH 3.29Å
458E87.4Confident84.1Confident120 Ų120104.2 Ų104.256%0.56152%0.524SS*.Hα-helixtrans-59.2-36.1173.6-78.2-169.4-177.500112.8E454 K462E454-E458 WeakPolarHBondContact O-CG 3.21Å; E454-E458 PolarHBondContact O-N 3.23Å; E458-K462 WeakPolarHBondContact O-CB 3.37Å; E458-K462 WeakPolarHBondContact O-CG 3.49Å; E458-K462 PolarHBondContact O-N 3.4Å; E458-K462 VanDerWaalsContact O-N 3.15Å
459L87.6Confident82.3Confident117 Ų117104.8 Ų104.861%0.61353%0.534SS*.Hα-helixtrans-69.4-41175.3-70171000111.5K455 E456 E457 K462 A463K455-L459 VanDerWaalsContact O-CG 3.3Å; K455-L459 WeakPolarHBondContact O-CG 3.2Å; K455-L459 PolarHBondContact O-N 3.16Å; E456-L459 WeakPolarHBondContact O-CB 3.36Å; E456-L459 PolarHBondContact O-N 3.01Å; E456-L459 VanDerWaalsContact O-N 3.15Å; E457-L459 PolarHBondContact O-N 3.4Å; L459-K462 PolarHBondContact O-N 3.37Å; L459-A463 PolarHBondContact O-N 3.07Å
460K83.6Confident80.6Confident60 Ų60110.2 Ų110.226%0.26156%0.556SS.*Hα-helixtrans-64.5-43.5176.7-73.4176.6-177.11550112.6E456 E457 K462 A463 G464 E465 Y466E456-K460 PolarHBondContact O-N 3.19Å; E456-K460 WeakPolarHBondContact OE1-CE 3.46Å; E456-K460 IonicContact OE1-NZ 3.37Å; E456-K460 PolarHBondContact OE1-NZ 3.18Å; E457-K460 PolarHBondContact O-N 3.49Å; E457-K460 VanDerWaalsContact O-N 3.13Å; E457-K460 IonicContact OE1-NZ 2.83Å; K460-K462 VanDerWaalsContact C-N 3.35Å; K460-K462 PolarHBondContact O-N 3.36Å; K460-A463 WeakPolarHBondContact O-CA 3.22Å; K460-A463 WeakPolarHBondContact O-CB 3.35Å; K460-A463 PolarHBondContact O-N 3.38Å; K460-G464 PolarHBondContact O-N 3.49Å; K460-E465 WeakPolarHBondContact CG-OE2 3.36Å; K460-Y466 HydrophobicContact CB-CE2 4.36Å
461V82.4Confident78.7Confident91 Ų91114.9 Ų114.955%0.55258%0.576SS**Hα-helixtrans-62.7-42.8176.1174.20000110.7E457 A463 G464 Y466E457-V461 WeakPolarHBondContact O-CG2 3.43Å; E457-V461 PolarHBondContact O-N 2.89Å; V461-A463 PolarHBondContact O-N 3.42Å; V461-G464 PolarHBondContact O-N 3.35Å; V461-G464 VanDerWaalsContact O-N 3.09Å; V461-Y466 HydrophobicContact CG2-CD2 3.98Å; V461-Y466 HydrophobicContact CG2-CE2 3.98Å
462K84.2Confident77Confident163 Ų163115.4 Ų115.471%0.70959%0.591SS**Hα-helixtrans-63.4-25.7174.1-77.4172.7-174.1158.80113.3E458 L459 K460 G464E458-K462 WeakPolarHBondContact O-CB 3.37Å; E458-K462 WeakPolarHBondContact O-CG 3.49Å; E458-K462 PolarHBondContact O-N 3.4Å; E458-K462 VanDerWaalsContact O-N 3.15Å; L459-K462 PolarHBondContact O-N 3.37Å; K460-K462 VanDerWaalsContact C-N 3.35Å; K460-K462 PolarHBondContact O-N 3.36Å; K462-G464 VanDerWaalsContact C-N 3.28Å
463A81.1Confident75.2Confident78 Ų78116.6 Ų116.665%0.64559%0.594SS**THydrogen-bonded Turntrans-79.6-7.3176.500000113.6L459 K460 V461L459-A463 PolarHBondContact O-N 3.07Å; K460-A463 WeakPolarHBondContact O-CA 3.22Å; K460-A463 WeakPolarHBondContact O-CB 3.35Å; K460-A463 PolarHBondContact O-N 3.38Å; V461-A463 PolarHBondContact O-N 3.42Å
464G72.7Confident73.9Confident28 Ų28118.3 Ų118.329%0.28960%0.603SS.*THydrogen-bonded Turntrans80.214.9175.800000115K460 V461 K462 Y466 E467K460-G464 PolarHBondContact O-N 3.49Å; V461-G464 PolarHBondContact O-N 3.35Å; V461-G464 VanDerWaalsContact O-N 3.09Å; K462-G464 VanDerWaalsContact C-N 3.28Å; G464-Y466 PolarHBondContact O-N 3.17Å; G464-Y466 VanDerWaalsContact O-N 3.07Å; G464-E467 PolarHBondContact O-N 2.89Å; G464-E467 VanDerWaalsContact O-N 3.16Å
465E73.9Confident72.7Confident134 Ų134120.8 Ų120.863%0.62662%0.615SS**THydrogen-bonded Turntrans-59.2-21.6-177.1-89.9-173.8156.600114.7K460K460-E465 WeakPolarHBondContact CG-OE2 3.36Å
466Y73.4Confident71.7Confident139 Ų139122.8 Ų122.855%0.54563%0.626SS.*THydrogen-bonded Turntrans-1023.5-177.7-57.3-76.4000114E457 K460 V461 G464E457-Y466 PolarHBondContact OE2-OH 3.29Å; K460-Y466 HydrophobicContact CB-CE2 4.36Å; V461-Y466 HydrophobicContact CG2-CD2 3.98Å; V461-Y466 HydrophobicContact CG2-CE2 3.98Å; G464-Y466 PolarHBondContact O-N 3.17Å; G464-Y466 VanDerWaalsContact O-N 3.07Å
467E67.8Low70.7Confident160 Ų160123.3 Ų123.375%0.74863%0.63SS**  trans-81.1122.8171.8-67.2-171.3165.100109.4G464G464-E467 PolarHBondContact O-N 2.89Å; G464-E467 VanDerWaalsContact O-N 3.16Å
468T57.2Low70Confident131 Ų131124.9 Ų124.980%0.80464%0.637SS**  trans-102.9111.8176.9-25.80000108.9E470T468-E470 PolarHBondContact O-N 3.41Å
469D56Low69.5Low145 Ų145125.7 Ų125.778%0.77564%0.641SS**  trans-80114.7175.7-70.7-34.1000110.6E471D469-E471 PolarHBondContact O-N 3.3Å
470E55.3Low69.2Low195 Ų195125.6 Ų125.691%0.91164%0.64SS**  trans-87.498.5169.4-73.8-171165.400110T468T468-E470 PolarHBondContact O-N 3.41Å
471E54.3Low68.9Low181 Ų181130.6 Ų130.685%0.84666%0.657SS**PPolyproline II helixtrans-76.2130.6172.6-72.8-176.6160.600111.6D469 E473D469-E471 PolarHBondContact O-N 3.3Å; E471-E473 PolarHBondContact O-N 3.17Å
472S56.3Low68.9Low114 Ų114132.1 Ų132.180%0.79766%0.658SS**PPolyproline II helixtrans-74.3119.8174.755.50000111.5
473E55.8Low68.9Low108 Ų108129.1 Ų129.151%0.50565%0.649SS.*PPolyproline II helixtrans-65132.5-176.4-62177.5173.300114E471 Q478E471-E473 PolarHBondContact O-N 3.17Å; E473-Q478 PolarHBondContact O-NE2 3.31Å
474D64.3Low69Low132 Ų132127.3 Ų127.371%0.70664%0.635SS**PPolyproline II helixtrans-58.7151.3178.3-64-41000114.3E476 M477 Q478D474-E476 VanDerWaalsContact C-N 3.25Å; D474-E476 PolarHBondContact O-N 3Å; D474-E476 VanDerWaalsContact O-N 3.16Å; D474-M477 PolarHBondContact O-N 3.39Å; D474-Q478 PolarHBondContact O-N 3.46Å
475E67.1Low69.6Low162 Ų162132.4 Ų132.476%0.75765%0.649SS**Hα-helixtrans-54.7-36.3-177.5-66.8-176.9163.400113.1M477 Q478 E479E475-M477 VanDerWaalsContact C-N 3.32Å; E475-M477 PolarHBondContact O-N 2.9Å; E475-Q478 PolarHBondContact O-N 3.05Å; E475-E479 PolarHBondContact O-N 3.43Å
476E69.8Low70.1Confident152 Ų152131.6 Ų131.671%0.7165%0.645SS**Hα-helixtrans-61.6-38177.6-72.4-168.4163.200112.5D474 Q478 E479 I480D474-E476 VanDerWaalsContact C-N 3.25Å; D474-E476 PolarHBondContact O-N 3Å; D474-E476 VanDerWaalsContact O-N 3.16Å; E476-Q478 VanDerWaalsContact C-N 3.33Å; E476-E479 PolarHBondContact O-N 3.47Å; E476-I480 VanDerWaalsContact O-CG1 3.29Å; E476-I480 WeakPolarHBondContact O-CG1 3.27Å; E476-I480 PolarHBondContact O-N 3.24Å
477M67.9Low70.7Confident114 Ų114129 Ų12956%0.56264%0.64SS**Hα-helixtrans-71.4-34.4-179.2-167.9160.5-6500111.3D474 E475 R481D474-M477 PolarHBondContact O-N 3.39Å; E475-M477 VanDerWaalsContact C-N 3.32Å; E475-M477 PolarHBondContact O-N 2.9Å; M477-R481 WeakPolarHBondContact O-CB 3.45Å; M477-R481 PolarHBondContact O-N 3.29Å
478Q72.1Confident71.4Confident99 Ų99130.2 Ų130.246%0.46364%0.637SS.*Hα-helixtrans-67.2-41.1172.7-58.5-173.618.800111.4E473 D474 E475 E476 R481 Q482E473-Q478 PolarHBondContact O-NE2 3.31Å; D474-Q478 PolarHBondContact O-N 3.46Å; E475-Q478 PolarHBondContact O-N 3.05Å; E476-Q478 VanDerWaalsContact C-N 3.33Å; Q478-R481 PolarHBondContact O-N 2.96Å; Q478-Q482 WeakPolarHBondContact O-CG 3.3Å; Q478-Q482 PolarHBondContact O-N 3.25Å
479E77.3Confident72.8Confident136 Ų136129.8 Ų129.864%0.63663%0.626SS**Hα-helixtrans-62.9-46.1175.8-76-166.4164.300112.5E475 E476 R481 Q482 L483E475-E479 PolarHBondContact O-N 3.43Å; E476-E479 PolarHBondContact O-N 3.47Å; E479-R481 PolarHBondContact O-N 3.28Å; E479-Q482 PolarHBondContact O-N 2.83Å; E479-Q482 VanDerWaalsContact O-N 3.17Å; E479-L483 WeakPolarHBondContact O-CB 3.37Å; E479-L483 PolarHBondContact O-N 2.85Å
480I79.9Confident74.1Confident115 Ų115129.7 Ų129.759%0.5962%0.619SS**Hα-helixtrans-58.5-40.9177-68.3165.3000110.4E476 L483 A484E476-I480 VanDerWaalsContact O-CG1 3.29Å; E476-I480 WeakPolarHBondContact O-CG1 3.27Å; E476-I480 PolarHBondContact O-N 3.24Å; I480-L483 PolarHBondContact O-N 2.92Å; I480-A484 VanDerWaalsContact O-CB 3.25Å; I480-A484 WeakPolarHBondContact O-CB 3.49Å; I480-A484 PolarHBondContact O-N 3.43Å
481R78.5Confident75.4Confident166 Ų166128.9 Ų128.963%0.62661%0.608SS**Hα-helixtrans-66.5-41.2178.8-162.5178.1-157.3171.46.6112M477 Q478 E479 K485M477-R481 WeakPolarHBondContact O-CB 3.45Å; M477-R481 PolarHBondContact O-N 3.29Å; Q478-R481 PolarHBondContact O-N 2.96Å; E479-R481 PolarHBondContact O-N 3.28Å; R481-K485 PolarHBondContact O-N 3.16Å; R481-K485 VanDerWaalsContact O-N 3.11Å
482Q82Confident76.8Confident123 Ų123127.3 Ų127.358%0.57560%0.598SS**Hα-helixtrans-65.7-45175.8-71.8-175.523.200111.3Q478 E479 A484 K485 Q486Q478-Q482 WeakPolarHBondContact O-CG 3.3Å; Q478-Q482 PolarHBondContact O-N 3.25Å; E479-Q482 PolarHBondContact O-N 2.83Å; E479-Q482 VanDerWaalsContact O-N 3.17Å; Q482-A484 PolarHBondContact O-N 3.28Å; Q482-K485 WeakPolarHBondContact O-CB 3.38Å; Q482-K485 PolarHBondContact O-N 3.38Å; Q482-Q486 WeakPolarHBondContact O-CG 3.35Å; Q482-Q486 PolarHBondContact O-N 2.93Å; Q482-Q486 VanDerWaalsContact O-N 3.09Å
483L84.5Confident78.1Confident99 Ų99126.8 Ų126.852%0.51859%0.586SS.*Hα-helixtrans-61.1-44.2176.4-173.168.3000111.4E479 I480 K485 Q486 I487E479-L483 WeakPolarHBondContact O-CB 3.37Å; E479-L483 PolarHBondContact O-N 2.85Å; I480-L483 PolarHBondContact O-N 2.92Å; L483-K485 VanDerWaalsContact C-N 3.29Å; L483-K485 PolarHBondContact O-N 3.42Å; L483-Q486 PolarHBondContact O-N 2.91Å; L483-I487 HydrophobicContact CG-CD1 4.19Å; L483-I487 WeakPolarHBondContact O-CG1 3.42Å; L483-I487 PolarHBondContact O-N 3.21Å
484A82.9Confident79.5Confident41 Ų41129.5 Ų129.534%0.33960%0.596SS.*Hα-helixtrans-61.2-36.7177.400000112.4I480 Q482 R488I480-A484 VanDerWaalsContact O-CB 3.25Å; I480-A484 WeakPolarHBondContact O-CB 3.49Å; I480-A484 PolarHBondContact O-N 3.43Å; Q482-A484 PolarHBondContact O-N 3.28Å; A484-R488 WeakPolarHBondContact O-CG 3.39Å; A484-R488 PolarHBondContact O-N 2.91Å; A484-R488 VanDerWaalsContact O-N 3.12Å
485K84.9Confident80.3Confident134 Ų134128 Ų12858%0.58359%0.587SS**Hα-helixtrans-63.2-48.9172.5-84.7-177.5176.5176.60111.5R481 Q482 L483 I487 R488 E489R481-K485 PolarHBondContact O-N 3.16Å; R481-K485 VanDerWaalsContact O-N 3.11Å; Q482-K485 WeakPolarHBondContact O-CB 3.38Å; Q482-K485 PolarHBondContact O-N 3.38Å; L483-K485 VanDerWaalsContact C-N 3.29Å; L483-K485 PolarHBondContact O-N 3.42Å; K485-I487 VanDerWaalsContact C-N 3.31Å; K485-I487 PolarHBondContact O-N 3.47Å; K485-R488 PolarHBondContact O-N 3.45Å; K485-R488 VanDerWaalsContact O-N 3.13Å; K485-E489 PolarHBondContact O-N 3.31Å
486Q85.8Confident81.1Confident117 Ų117124.1 Ų124.155%0.54757%0.574SS.*Hα-helixtrans-59.3-41179.2-66.71791000112.2Q482 L483 E489 K490Q482-Q486 WeakPolarHBondContact O-CG 3.35Å; Q482-Q486 PolarHBondContact O-N 2.93Å; Q482-Q486 VanDerWaalsContact O-N 3.09Å; L483-Q486 PolarHBondContact O-N 2.91Å; Q486-E489 PolarHBondContact O-N 2.95Å; Q486-K490 WeakPolarHBondContact O-CG 3.08Å; Q486-K490 PolarHBondContact O-N 3.49Å
487I85.4Confident81.7Confident86 Ų86120 Ų12044%0.44156%0.561SS.*Hα-helixtrans-61.5-45.7175.9-68.5168.5000111.1L483 K485 E489 K490 R491L483-I487 HydrophobicContact CG-CD1 4.19Å; L483-I487 WeakPolarHBondContact O-CG1 3.42Å; L483-I487 PolarHBondContact O-N 3.21Å; K485-I487 VanDerWaalsContact C-N 3.31Å; K485-I487 PolarHBondContact O-N 3.47Å; I487-E489 VanDerWaalsContact C-N 3.33Å; I487-E489 PolarHBondContact O-N 3.41Å; I487-K490 PolarHBondContact O-N 3.45Å; I487-R491 WeakPolarHBondContact O-CB 2.91Å; I487-R491 PolarHBondContact O-N 2.95Å
488R82.6Confident82.4Confident184 Ų184118.3 Ų118.369%0.69456%0.56SS**Hα-helixtrans-62.2-40.7179.2-75.5176.7-179.7-176.52.2111.5A484 K485 R491 K492A484-R488 WeakPolarHBondContact O-CG 3.39Å; A484-R488 PolarHBondContact O-N 2.91Å; A484-R488 VanDerWaalsContact O-N 3.12Å; K485-R488 PolarHBondContact O-N 3.45Å; K485-R488 VanDerWaalsContact O-N 3.13Å; R488-R491 PolarHBondContact O-N 3.49Å; R488-K492 PolarHBondContact O-N 2.59Å
489E85.2Confident82.7Confident122 Ų122121 Ų12157%0.5757%0.571SS**Hα-helixtrans-67.5-46.6177.9-71.9178.7178.700112.5K485 Q486 I487 R491 K492 L493K485-E489 PolarHBondContact O-N 3.31Å; Q486-E489 PolarHBondContact O-N 2.95Å; I487-E489 VanDerWaalsContact C-N 3.33Å; I487-E489 PolarHBondContact O-N 3.41Å; E489-R491 VanDerWaalsContact C-N 3.3Å; E489-R491 PolarHBondContact O-N 2.69Å; E489-K492 WeakPolarHBondContact O-CB 3.18Å; E489-K492 PolarHBondContact O-N 2.88Å; E489-K492 VanDerWaalsContact O-N 3.15Å; E489-L493 PolarHBondContact O-N 3.33Å
490K84.9Confident82.7Confident143 Ų143120.3 Ų120.362%0.62257%0.571SS**Hα-helixtrans-61.7-37.1175-72.7-72.9-174.51750112Q486 I487 L493 K494Q486-K490 WeakPolarHBondContact O-CG 3.08Å; Q486-K490 PolarHBondContact O-N 3.49Å; I487-K490 PolarHBondContact O-N 3.45Å; K490-L493 PolarHBondContact O-N 3.22Å; K490-K494 PolarHBondContact O-N 3.27Å; K490-K494 VanDerWaalsContact O-N 3.08Å
491R82.3Confident82.6Confident179 Ų179121.3 Ų121.368%0.67557%0.571SS**Hα-helixtrans-61.9-45172.5-86.6-174.5171.6-176.5-0.7111.8I487 R488 E489 L493 K494 I495I487-R491 WeakPolarHBondContact O-CB 2.91Å; I487-R491 PolarHBondContact O-N 2.95Å; R488-R491 PolarHBondContact O-N 3.49Å; E489-R491 VanDerWaalsContact C-N 3.3Å; E489-R491 PolarHBondContact O-N 2.69Å; R491-L493 PolarHBondContact O-N 2.84Å; R491-K494 PolarHBondContact O-N 3.19Å; R491-I495 WeakPolarHBondContact O-CG1 3.26Å; R491-I495 PolarHBondContact O-N 2.89Å; R491-I495 VanDerWaalsContact O-N 3.17Å
492K82.4Confident82.5Confident148 Ų148119.3 Ų119.364%0.64357%0.573SS**Hα-helixtrans-59.4-45.7175.5-76-179.8-176.7178.50111.7R488 E489 K494 I495 V496R488-K492 PolarHBondContact O-N 2.59Å; E489-K492 WeakPolarHBondContact O-CB 3.18Å; E489-K492 PolarHBondContact O-N 2.88Å; E489-K492 VanDerWaalsContact O-N 3.15Å; K492-K494 VanDerWaalsContact C-N 3.34Å; K492-K494 PolarHBondContact O-N 2.95Å; K492-I495 WeakPolarHBondContact O-CB 3.42Å; K492-I495 PolarHBondContact O-N 3.49Å; K492-I495 VanDerWaalsContact O-N 3.11Å; K492-V496 PolarHBondContact O-N 3.24Å
493L84.7Confident82.2Confident103 Ų103118.4 Ų118.454%0.53958%0.576SS.*Hα-helixtrans-59.4-41.5177.1-76.6167000112.6E489 K490 R491 I495 V496 C497E489-L493 PolarHBondContact O-N 3.33Å; K490-L493 PolarHBondContact O-N 3.22Å; R491-L493 PolarHBondContact O-N 2.84Å; L493-I495 VanDerWaalsContact C-N 3.3Å; L493-I495 PolarHBondContact O-N 2.87Å; L493-V496 PolarHBondContact O-N 2.8Å; L493-C497 PolarHBondContact O-N 2.99Å
494K84.6Confident81.1Confident164 Ų164123.6 Ų123.671%0.71360%0.597SS**Hα-helixtrans-61-37.9175-74.7-175.1179.8-177.40112.6K490 R491 K492 S498K490-K494 PolarHBondContact O-N 3.27Å; K490-K494 VanDerWaalsContact O-N 3.08Å; R491-K494 PolarHBondContact O-N 3.19Å; K492-K494 VanDerWaalsContact C-N 3.34Å; K492-K494 PolarHBondContact O-N 2.95Å; K494-S498 PolarHBondContact O-N 2.88Å
495I81.8Confident80.7Confident102 Ų102124 Ų12452%0.52361%0.605SS.*Hα-helixtrans-65.7-42.9176.2-65.3166.3000110.5R491 K492 L493 S498 K499R491-I495 WeakPolarHBondContact O-CG1 3.26Å; R491-I495 PolarHBondContact O-N 2.89Å; R491-I495 VanDerWaalsContact O-N 3.17Å; K492-I495 WeakPolarHBondContact O-CB 3.42Å; K492-I495 PolarHBondContact O-N 3.49Å; K492-I495 VanDerWaalsContact O-N 3.11Å; L493-I495 VanDerWaalsContact C-N 3.3Å; L493-I495 PolarHBondContact O-N 2.87Å; I495-S498 WeakPolarHBondContact O-CB 3.46Å; I495-S498 PolarHBondContact O-N 3Å; I495-K499 PolarHBondContact O-N 3.24Å; I495-K499 VanDerWaalsContact O-N 3.09Å
496V82.8Confident80Confident79 Ų79124 Ų12448%0.47962%0.619SS.*Hα-helixtrans-61.6-49.8176.5178.90000111K492 L493 S498 K499 D500K492-V496 PolarHBondContact O-N 3.24Å; L493-V496 PolarHBondContact O-N 2.8Å; V496-S498 PolarHBondContact O-N 3.09Å; V496-S498 VanDerWaalsContact O-N 3.16Å; V496-K499 WeakPolarHBondContact O-CB 3.48Å; V496-K499 PolarHBondContact O-N 3.27Å; V496-D500 PolarHBondContact O-N 3.02Å; V496-D500 VanDerWaalsContact O-N 3.11Å
497C82.9Confident79.5Confident66 Ų66126 Ų12645%0.44662%0.621SS.*Hα-helixtrans-62.1-24.8176.2-68.70000113.6L493 K501L493-C497 PolarHBondContact O-N 2.99Å; C497-K501 WeakPolarHBondContact O-CD 3.44Å; C497-K501 VanDerWaalsContact O-CG 3.31Å; C497-K501 WeakPolarHBondContact O-CG 3.42Å
498S82.1Confident79.1Confident78 Ų78127.8 Ų127.855%0.54563%0.631SS.*Hα-helixtrans-72.1-39173.3-170.20000111.8K494 I495 V496 K501K494-S498 PolarHBondContact O-N 2.88Å; I495-S498 WeakPolarHBondContact O-CB 3.46Å; I495-S498 PolarHBondContact O-N 3Å; V496-S498 PolarHBondContact O-N 3.09Å; V496-S498 VanDerWaalsContact O-N 3.16Å; S498-K501 PolarHBondContact O-N 3.22Å
499K79.9Confident78.7Confident156 Ų156122.5 Ų122.568%0.67862%0.62SS**Hα-helixtrans-64.5-42175.3-71.4-177.1174.5-175.40111.6I495 V496 K501 D502I495-K499 PolarHBondContact O-N 3.24Å; I495-K499 VanDerWaalsContact O-N 3.09Å; V496-K499 WeakPolarHBondContact O-CB 3.48Å; V496-K499 PolarHBondContact O-N 3.27Å; K499-K501 PolarHBondContact O-N 3.3Å; K499-D502 WeakPolarHBondContact O-CB 3.32Å; K499-D502 PolarHBondContact O-N 3.14Å
500D77.2Confident78.1Confident122 Ų122127.3 Ų127.365%0.65263%0.633SS**Hα-helixtrans-63.3-24.1178.4-73.3-16.4000113.9V496 D502V496-D500 PolarHBondContact O-N 3.02Å; V496-D500 VanDerWaalsContact O-N 3.11Å; D500-D502 PolarHBondContact O-N 3.21Å
501K77.2Confident77.7Confident135 Ų135126.7 Ų126.759%0.58764%0.642SS**THydrogen-bonded Turntrans-79.6-8.3177.7-71.4169.1-172.3172.80112.9C497 S498 K499 V503 R507C497-K501 WeakPolarHBondContact O-CD 3.44Å; C497-K501 VanDerWaalsContact O-CG 3.31Å; C497-K501 WeakPolarHBondContact O-CG 3.42Å; S498-K501 PolarHBondContact O-N 3.22Å; K499-K501 PolarHBondContact O-N 3.3Å; K501-V503 PolarHBondContact O-N 3.13Å; K501-R507 VanDerWaalsContact O-CZ 3.22Å; K501-R507 PolarHBondContact O-NE 3.37Å; K501-R507 PolarHBondContact O-NH2 3.48Å
502D75.8Confident77.3Confident125 Ų125123.2 Ų123.267%0.66864%0.64SS**  trans-90.393.9-177.1-147.715.1000111.4K499 D500 R507K499-D502 WeakPolarHBondContact O-CB 3.32Å; K499-D502 PolarHBondContact O-N 3.14Å; D500-D502 PolarHBondContact O-N 3.21Å; D502-R507 IonicContact OD1-CZ 2.68Å; D502-R507 IonicContact OD1-NH2 3.76Å; D502-R507 PolarHBondContact OD1-NH2 2.91Å
503V75.4Confident76.8Confident104 Ų104123.4 Ų123.463%0.6364%0.641SS**  trans-117.4140.4-175.6-151.60000109.3K501 G505K501-V503 PolarHBondContact O-N 3.13Å; V503-G505 PolarHBondContact O-N 2.92Å
504H62.4Low76.3Confident208 Ų208128.3 Ų128.396%0.96366%0.658SS**SBendtrans-76.993.3180-150.767.9000110.8
505G74.6Confident75.7Confident48 Ų48123.5 Ų123.550%0.49564%0.642SS.*SBendtrans158170.917900000112.8V503 R507V503-G505 PolarHBondContact O-N 2.92Å; G505-R507 PolarHBondContact O-N 3.47Å
506P70.7Confident75.3Confident135 Ų135125.2 Ų125.288%0.87765%0.648SS**PPolyproline II helixtrans-66.4123.717825-30.6000110.8
507R75.1Confident74.9Confident159 Ų159125 Ų12560%0.664%0.639SS**PPolyproline II helixtrans-73.9128.5177.9-64.3-176.9-174.8173.43.1109.9K501 D502 G505K501-R507 VanDerWaalsContact O-CZ 3.22Å; K501-R507 PolarHBondContact O-NE 3.37Å; K501-R507 PolarHBondContact O-NH2 3.48Å; D502-R507 IonicContact OD1-CZ 2.68Å; D502-R507 IonicContact OD1-NH2 3.76Å; D502-R507 PolarHBondContact OD1-NH2 2.91Å; G505-R507 PolarHBondContact O-N 3.47Å
508L76.8Confident74.5Confident123 Ų123130.2 Ų130.264%0.64465%0.654SS**PPolyproline II helixtrans-63.1130.5175.2-76.1161.9000110.4
509P74.9Confident74.3Confident73 Ų73130.1 Ų130.147%0.47465%0.65SS.*PPolyproline II helixtrans-66.4143.2175.927.1-32.6000110.3T511 V512P509-T511 PolarHBondContact O-N 3.4Å; P509-V512 HydrophobicContact CG-CG2 4.01Å; P509-V512 PolarHBondContact O-N 3.41Å; P509-V512 VanDerWaalsContact O-N 3.11Å
510R72.1Confident74.1Confident223 Ų223125.9 Ų125.984%0.84263%0.634SS**THydrogen-bonded Turntrans-60.9-17.2-177.6-65178.593.8154.62.2113.1V512R510-V512 VanDerWaalsContact C-N 3.3Å; R510-V512 PolarHBondContact O-N 3.1Å
511T76.1Confident74Confident130 Ų130123.3 Ų123.380%0.79862%0.618SS**THydrogen-bonded Turntrans-67.5-24.4176.451.60000113.9P509P509-T511 PolarHBondContact O-N 3.4Å
512V73.3Confident74.1Confident107 Ų107123.8 Ų123.865%0.64862%0.621SS**THydrogen-bonded Turntrans-90.5-27.3-178.71790000112P509 R510P509-V512 HydrophobicContact CG-CG2 4.01Å; P509-V512 PolarHBondContact O-N 3.41Å; P509-V512 VanDerWaalsContact O-N 3.11Å; R510-V512 VanDerWaalsContact C-N 3.3Å; R510-V512 PolarHBondContact O-N 3.1Å
513K73.4Confident74.4Confident152 Ų152124 Ų12466%0.66162%0.617SS**SBendtrans-83.3130.9177.1-89.5-174.6172.9-1780110.9V515K513-V515 PolarHBondContact O-N 2.89Å
514K72.8Confident74.5Confident205 Ų205122.1 Ų122.189%0.89160%0.603SS**PPolyproline II helixtrans-71.7126.1168-99.7180176.3176.20109.9
515V72.4Confident75.3Confident64 Ų64114.1 Ų114.139%0.38858%0.576SS.*PPolyproline II helixtrans-87.1128.9173.8-178.10000109.1K513 L520K513-V515 PolarHBondContact O-N 2.89Å; V515-L520 HydrophobicContact CG1-CB 4.49Å; V515-L520 HydrophobicContact CG1-CD1 4.18Å
516E74.6Confident75.5Confident137 Ų137118 Ų11864%0.6459%0.585SS**PPolyproline II helixtrans-79.1134.8172.6-68.6-172.2170.900110.7K518 T519E516-K518 VanDerWaalsContact C-N 3.31Å; E516-K518 PolarHBondContact O-N 2.98Å; E516-T519 PolarHBondContact O-OG1 3.43Å
517R72.4Confident75.8Confident76 Ų76118 Ų11829%0.28758%0.577SS.*Hα-helixtrans-60.1-41.5179.9176.2-178.2166.9144.46.3112.2T519 L520 E521R517-T519 VanDerWaalsContact C-N 3.28Å; R517-T519 PolarHBondContact O-N 3.3Å; R517-L520 PolarHBondContact O-N 3.1Å; R517-E521 IonicContact CZ-OE2 2.73Å; R517-E521 IonicContact NE-OE2 3.92Å; R517-E521 PolarHBondContact NE-OE2 3.2Å; R517-E521 IonicContact NH2-OE2 3.77Å; R517-E521 VanDerWaalsContact O-CB 3.25Å; R517-E521 WeakPolarHBondContact O-CB 3.48Å; R517-E521 PolarHBondContact O-N 2.97Å
518K75.3Confident75.7Confident174 Ų174113.8 Ų113.876%0.75758%0.583SS**Hα-helixtrans-62.4-34-171.7-168.4177.7-178.6-178.60113.1E516 K522E516-K518 VanDerWaalsContact C-N 3.31Å; E516-K518 PolarHBondContact O-N 2.98Å; K518-K522 PolarHBondContact O-N 2.98Å
519T78.9Confident75.6Confident76 Ų76112.8 Ų112.847%0.46658%0.578SS.*Hα-helixtrans-75.9-42.2178.7490000111.4E516 R517 K522 E523E516-T519 PolarHBondContact O-OG1 3.43Å; R517-T519 VanDerWaalsContact C-N 3.28Å; R517-T519 PolarHBondContact O-N 3.3Å; T519-K522 PolarHBondContact O-N 2.96Å; T519-E523 PolarHBondContact O-N 2.8Å; T519-E523 VanDerWaalsContact O-N 3.12Å
520L75.7Confident75.4Confident67 Ų67115.2 Ų115.235%0.35159%0.587SS.*Hα-helixtrans-68.3-38.3177.4-164.2118.5000112.4V515 R517 K522 E523 M524 M531V515-L520 HydrophobicContact CG1-CB 4.49Å; V515-L520 HydrophobicContact CG1-CD1 4.18Å; R517-L520 PolarHBondContact O-N 3.1Å; L520-K522 VanDerWaalsContact C-N 3.31Å; L520-K522 PolarHBondContact O-N 2.93Å; L520-E523 PolarHBondContact O-N 3.04Å; L520-M524 HydrophobicContact CD2-CG 4.46Å; L520-M524 HydrophobicContact CG-CG 4.48Å; L520-M524 WeakPolarHBondContact O-CB 3.43Å; L520-M524 WeakPolarHBondContact O-CG 3.37Å; L520-M524 PolarHBondContact O-N 2.88Å; L520-M531 HydrophobicContact CD2-CE 4.21Å
521E74.9Confident75Confident68 Ų68108.1 Ų108.132%0.31856%0.564SS.*Hα-helixtrans-61.8-39.7175.7-174.5167.6173.800111.4R517 G525 M531R517-E521 IonicContact CZ-OE2 2.73Å; R517-E521 IonicContact NE-OE2 3.92Å; R517-E521 PolarHBondContact NE-OE2 3.2Å; R517-E521 IonicContact NH2-OE2 3.77Å; R517-E521 VanDerWaalsContact O-CB 3.25Å; R517-E521 WeakPolarHBondContact O-CB 3.48Å; R517-E521 PolarHBondContact O-N 2.97Å; E521-G525 PolarHBondContact O-N 3.01Å; E521-M531 HydrophobicContact CG-CB 4Å
522K79.4Confident74.4Confident146 Ų146105.8 Ų105.864%0.63555%0.55SS**Hα-helixtrans-67.9-46.9176.1-169.1178.8177.9-176.60112.4K518 T519 L520 M524 G525 D526K518-K522 PolarHBondContact O-N 2.98Å; T519-K522 PolarHBondContact O-N 2.96Å; L520-K522 VanDerWaalsContact C-N 3.31Å; L520-K522 PolarHBondContact O-N 2.93Å; K522-M524 PolarHBondContact O-N 3.33Å; K522-G525 PolarHBondContact O-N 2.92Å; K522-D526 VanDerWaalsContact O-CG 3.24Å; K522-D526 PolarHBondContact O-N 3.4Å
523E80.7Confident73.8Confident129 Ų129103.8 Ų103.860%0.60355%0.551SS**Hα-helixtrans-66.2-35.9-179.4-73.9-176.417400113.2T519 L520 L527T519-E523 PolarHBondContact O-N 2.8Å; T519-E523 VanDerWaalsContact O-N 3.12Å; L520-E523 PolarHBondContact O-N 3.04Å; E523-L527 PolarHBondContact O-N 3.11Å
524M79.2Confident73Confident65 Ų65102.9 Ų102.932%0.3255%0.547SS..Hα-helixtrans-77-34.4176.6-65.6-61.8177.200112.1L520 K522 L527 G528 L529 M531L520-M524 HydrophobicContact CD2-CG 4.46Å; L520-M524 HydrophobicContact CG-CG 4.48Å; L520-M524 WeakPolarHBondContact O-CB 3.43Å; L520-M524 WeakPolarHBondContact O-CG 3.37Å; L520-M524 PolarHBondContact O-N 2.88Å; K522-M524 PolarHBondContact O-N 3.33Å; M524-L527 CarbonylContact O-C 3.53Å; M524-L527 PolarHBondContact O-N 3.08Å; M524-L527 VanDerWaalsContact O-N 3.14Å; M524-L527 HydrophobicContact SD-CD1 4.36Å; M524-G528 PolarHBondContact O-N 3.27Å; M524-L529 HydrophobicContact CB-CB 4.38Å; M524-L529 PolarHBondContact O-N 2.88Å; M524-L529 HydrophobicContact SD-CD1 4.04Å; M524-M531 HydrophobicContact CB-CG 4.07Å; M524-M531 HydrophobicContact CB-SD 4.34Å
525G79.2Confident72.1Confident39 Ų3998 Ų9840%0.40253%0.531SS..Hα-helixtrans-62.5-40.617100000112.4E521 K522 L527 G528E521-G525 PolarHBondContact O-N 3.01Å; K522-G525 PolarHBondContact O-N 2.92Å; G525-L527 PolarHBondContact O-N 2.91Å; G525-G528 PolarHBondContact O-N 3.24Å
526D78.3Confident71.3Confident129 Ų129102.9 Ų102.969%0.6956%0.555SS**THydrogen-bonded Turntrans-63.3-20.4174.4-70.9-12.9000112.9K522K522-D526 VanDerWaalsContact O-CG 3.24Å; K522-D526 PolarHBondContact O-N 3.4Å
527L76.6Confident70.6Confident136 Ų13698.2 Ų98.271%0.71254%0.537SS*.THydrogen-bonded Turntrans-93.41.5174-71.4165.3000113E523 M524 G525E523-L527 PolarHBondContact O-N 3.11Å; M524-L527 CarbonylContact O-C 3.53Å; M524-L527 PolarHBondContact O-N 3.08Å; M524-L527 VanDerWaalsContact O-N 3.14Å; M524-L527 HydrophobicContact SD-CD1 4.36Å; G525-L527 PolarHBondContact O-N 2.91Å
528G73.4Confident69.9Low70 Ų70101.6 Ų101.672%0.72256%0.556SS**THydrogen-bonded Turntrans84.514.1177.400000115.1M524 G525M524-G528 PolarHBondContact O-N 3.27Å; G525-G528 PolarHBondContact O-N 3.24Å
529L74.4Confident69.1Low103 Ų10398.7 Ų98.754%0.53954%0.541SS..  trans-89.1127.6175.1-69.6166.2000110.7M524 M531M524-L529 HydrophobicContact CB-CB 4.38Å; M524-L529 PolarHBondContact O-N 2.88Å; M524-L529 HydrophobicContact SD-CD1 4.04Å; L529-M531 PolarHBondContact O-N 2.76Å
530D69.6Low68Low123 Ų12395.9 Ų95.966%0.65853%0.525SS*.  trans-79.4116.1177.3-170.91.3000111.2T532D530-T532 VanDerWaalsContact OD1-CB 3.23Å; D530-T532 WeakPolarHBondContact OD1-CB 3.2Å; D530-T532 WeakPolarHBondContact OD1-CG2 3.35Å; D530-T532 PolarHBondContact OD1-N 2.78Å; D530-T532 PolarHBondContact OD1-OG1 3.42Å; D530-T532 PolarHBondContact OD2-OG1 3.33Å
531M63.9Low67.1Low74 Ų7497.3 Ų97.337%0.36554%0.536SS..  trans-103.814.5-178.8-65.6-67.6-71.600112.5L520 E521 M524 L529 G533L520-M531 HydrophobicContact CD2-CE 4.21Å; E521-M531 HydrophobicContact CG-CB 4Å; M524-M531 HydrophobicContact CB-CG 4.07Å; M524-M531 HydrophobicContact CB-SD 4.34Å; L529-M531 PolarHBondContact O-N 2.76Å; M531-G533 VanDerWaalsContact C-N 3.3Å; M531-G533 PolarHBondContact O-N 3.45Å
532T64.9Low66.1Low82 Ų8298.2 Ų98.250%0.50354%0.544SS..  trans-78.3-6.6-17861.70000114.8D530 K534D530-T532 VanDerWaalsContact OD1-CB 3.23Å; D530-T532 WeakPolarHBondContact OD1-CB 3.2Å; D530-T532 WeakPolarHBondContact OD1-CG2 3.35Å; D530-T532 PolarHBondContact OD1-N 2.78Å; D530-T532 PolarHBondContact OD1-OG1 3.42Å; D530-T532 PolarHBondContact OD2-OG1 3.33Å; T532-K534 VanDerWaalsContact O-CG 3.31Å; T532-K534 WeakPolarHBondContact O-CG 3.28Å; T532-K534 PolarHBondContact O-N 3.16Å
533G60.7Low64.9Low64 Ų6494 Ų9466%0.6654%0.536SS*.  trans-63.290.4169.500000112.2M531M531-G533 VanDerWaalsContact C-N 3.3Å; M531-G533 PolarHBondContact O-N 3.45Å
534K54.7Low63.8Low134 Ų13496.7 Ų96.758%0.58354%0.54SS*.  trans-85.5-10.6-164.6-83.8160.8-173.8171.30115.9T532 A540T532-K534 VanDerWaalsContact O-CG 3.31Å; T532-K534 WeakPolarHBondContact O-CG 3.28Å; T532-K534 PolarHBondContact O-N 3.16Å; K534-A540 WeakPolarHBondContact O-CB 3.49Å
535D54.1Low62.6Low102 Ų102104.3 Ų104.355%0.54557%0.566SS.*SBendtrans-107.3-20.5-163.8-74.8-45.9000117.6R544D535-R544 IonicContact OD1-CZ 3.24Å; D535-R544 IonicContact OD1-NH2 2.89Å; D535-R544 PolarHBondContact OD1-NH2 3.11Å
536D57.2Low61.4Low167 Ų167106.8 Ų106.889%0.89358%0.577SS**SBendtrans-109.87-177.3-74-26000115.7
537S59.9Low60Low38 Ų38111 Ų11127%0.26658%0.583SS.*SBendtrans-87.4141.4178.166.70000112.6Y539 A540S537-Y539 PolarHBondContact O-N 2.92Å; S537-A540 PolarHBondContact O-N 3Å
538H56.1Low58.8Low148 Ų148110.5 Ų110.569%0.68559%0.591SS**Hα-helixtrans-52.7-22.4177.4-174.4-81.5000113.7
539Y58.4Low57.7Low112 Ų112114 Ų11444%0.43960%0.599SS.*Hα-helixtrans-76.7-31176.7-63.9-79.7000113.8S537 A543S537-Y539 PolarHBondContact O-N 2.92Å; Y539-A543 PolarHBondContact O-N 3.07Å
540A56.6Low56.1Low17 Ų17112.6 Ų112.614%0.1461%0.609CS.*Hα-helixtrans-73.2-35.9176.200000111.9K534 S537 N542 A543 R544K534-A540 WeakPolarHBondContact O-CB 3.49Å; S537-A540 PolarHBondContact O-N 3Å; A540-N542 VanDerWaalsContact C-N 3.31Å; A540-N542 PolarHBondContact O-N 3.48Å; A540-A543 PolarHBondContact O-N 3.44Å; A540-R544 PolarHBondContact O-N 3.31Å
541V56.3Low54.8Low97 Ų97113.8 Ų113.859%0.58862%0.62SS**Hα-helixtrans-62-38.8175.3-175.20000111.5R544 R545V541-R544 PolarHBondContact O-N 2.99Å; V541-R545 PolarHBondContact O-N 3.01Å
542N53.9Low53.8Low88 Ų88114.9 Ų114.947%0.47164%0.641SS.*Hα-helixtrans-75.3-30.6-179.2-122.7-11.3000113.4A540 R544 R545 S546A540-N542 VanDerWaalsContact C-N 3.31Å; A540-N542 PolarHBondContact O-N 3.48Å; N542-R544 VanDerWaalsContact C-N 3.32Å; N542-R545 PolarHBondContact O-N 3.31Å; N542-S546 WeakPolarHBondContact O-CB 3.11Å; N542-S546 PolarHBondContact O-N 3.46Å; N542-S546 PolarHBondContact O-OG 2.9Å
543A55.4Low52.5Low57 Ų57120.9 Ų120.947%0.47166%0.66SS.*Hα-helixtrans-70.5-28.2174.100000112.4Y539 A540Y539-A543 PolarHBondContact O-N 3.07Å; A540-A543 PolarHBondContact O-N 3.44Å
544R56.6Low51.5Low185 Ų185127.8 Ų127.870%0.69867%0.672SS**Hα-helixtrans-77.3-28172.9-69.5-175.8-178.6171.87.3113.4D535 A540 V541 N542D535-R544 IonicContact OD1-CZ 3.24Å; D535-R544 IonicContact OD1-NH2 2.89Å; D535-R544 PolarHBondContact OD1-NH2 3.11Å; A540-R544 PolarHBondContact O-N 3.31Å; V541-R544 PolarHBondContact O-N 2.99Å; N542-R544 VanDerWaalsContact C-N 3.32Å
545R53.4Low51Low225 Ų225132.6 Ų132.685%0.84969%0.686SS**Hα-helixtrans-83.6-19.5176.1-157.8178.3-179.5-176.81.4114.1V541 N542V541-R545 PolarHBondContact O-N 3.01Å; N542-R545 PolarHBondContact O-N 3.31Å
546S55Low50.4Low92 Ų92137.8 Ų137.864%0.64370%0.704SS**SBendtrans-104.70.2-171.1570000115.8N542N542-S546 WeakPolarHBondContact O-CB 3.11Å; N542-S546 PolarHBondContact O-N 3.46Å; N542-S546 PolarHBondContact O-OG 2.9Å
547R49.3Very low49.7Very low217 Ų217141.1 Ų141.182%0.81970%0.704SS**SBendtrans-107115.3167.9-75.8-176.4174.5171.5-1.1110.1
548S51.4Low48.6Very low126 Ų126148.1 Ų148.188%0.88173%0.733SS**  trans-80.2124.9178.244.20000112.1
549V49.1Very low48.5Very low144 Ų144146.3 Ų146.387%0.87374%0.743SS**  trans-118.1115.6166.1178.70000108.4
550G42.1Very low47.8Very low73 Ų73145 Ų14575%0.75375%0.75SS**  trans42.2101.715600000122.7
551V41.8Very low47.4Very low147 Ų147151.1 Ų151.189%0.89179%0.786SS**  -136142.3122.2174.50000107.3K553V551-K553 PolarHBondContact O-N 2.67Å; V551-K553 VanDerWaalsContact O-N 3.11Å
552A42.9Very low46.9Very low98 Ų98151.9 Ų151.981%0.8179%0.79SS**SBendtrans-56.8108.3-175.200000114.4
553K37.8Very low46.4Very low208 Ų208153.3 Ų153.390%0.90481%0.805SS**  -148.7111.7124.3-121.7176-175.3172.50109.6V551V551-K553 PolarHBondContact O-N 2.67Å; V551-K553 VanDerWaalsContact O-N 3.11Å
554K40Very low46Very low209 Ų209157 Ų15791%0.90982%0.821SS**  trans-57.1131.9176.1-74.5172.5171.91770111.8
555R44.4Very low45.3Very low234 Ų234153.4 Ų153.488%0.88383%0.825SS**  trans-171.487.3132.2-112-179.2172.5169.3-0.4110.9
556K40.3Very low44.7Very low211 Ų211149.7 Ų149.792%0.91781%0.811SS**  trans176.780.9142.1-96.5174.6-173.8-172.40110.4
557R43.8Very low44.1Very low238 Ų238151.5 Ų151.590%0.89882%0.818SS**SBend-128.4151.5119.8-85.9-168.2178-178.30.2106.8
558E36.3Very low43.6Very low185 Ų185152.8 Ų152.886%0.86482%0.823SS**SBendtrans91.8144.8169.7-61177.9-165.700118.6S560E558-S560 PolarHBondContact O-N 3.21Å
559A53.7Low42.9Very low109 Ų109151.8 Ų151.890%0.90182%0.816SS**  trans-53.4116.9-172.400000110.8
560S42.9Very low42.3Very low85 Ų85153.3 Ų153.359%0.59481%0.813SS**  trans-154.7119.1165.766.50000110.7E558E558-S560 PolarHBondContact O-N 3.21Å
561V49.2Very low42.2Very low146 Ų146155.8 Ų155.889%0.88582%0.819SS**PPolyproline II helixtrans-54.6132.2151.3175.80000107.8
562V45.2Very low42.2Very low113 Ų113153.1 Ų153.169%0.68581%0.813SS**PPolyproline II helixtrans-98141.2174.2-173.40000108.4
563P44.3Very low42.6Very low118 Ų118154.5 Ų154.577%0.76682%0.816SS**PPolyproline II helixtrans-65.9149.4-172.5-15.929.4000113.2S565P563-S565 PolarHBondContact O-N 3.26Å
564T46.5Very low43.7Very low134 Ų134154.5 Ų154.582%0.82281%0.81SS**PPolyproline II helixtrans-63.2126167.142.70000111.5
565S41.2Very low44.9Very low110 Ų110147.6 Ų147.677%0.76979%0.787SS**  trans121.9112.6151.275.70000117.7P563P563-S565 PolarHBondContact O-N 3.26Å
566R41.3Very low46Very low147 Ų147139.4 Ų139.456%0.55576%0.764SS**  trans81.2110.3134.3-73.4-176.3176.2175.32122.1
567T43.6Very low47.6Very low129 Ų129140.8 Ų140.879%0.79176%0.764SS**  51.4124.1123.2-5.30000121.2
568R38.9Very low48.9Very low244 Ų244133.3 Ų133.392%0.92174%0.742SS**  trans-176.6135.4132.3-104.8168.2176.4-179.5-1108
569S34.9Very low50.7Low105 Ų105128 Ų12873%0.73472%0.717SS**SBendcis-160143.148.751.20000108.7
570Q36.8Very low51.7Low177 Ų177126.2 Ų126.283%0.82770%0.698SS**SBendcis-151.3147.335.7-69.8176.7-20.900109.9
571S40.8Very low53.4Low124 Ų124125.7 Ų125.787%0.86771%0.706SS**  trans47.286.2170.853.80000119.8
572A42.3Very low54.7Low92 Ų92120.6 Ų120.676%0.7668%0.675SS**  trans-143.2106.7143.100000108.2R574A572-R574 PolarHBondContact O-N 3.48Å
573S51.1Low56.1Low127 Ų127125.1 Ų125.189%0.88868%0.679SS**  trans-69.715.3179.550.90000114.1
574R61Low57.7Low207 Ų207122.5 Ų122.578%0.78166%0.659SS**SBendtrans-134.9132-172.4-71.6-179.4167.8171.5-4.7111.5A572A572-R574 PolarHBondContact O-N 3.48Å
575P63.7Low59Low65 Ų65121.3 Ų121.342%0.42265%0.654SS.*  trans-57.5148.516821.9-29.5000110.6R577P575-R577 PolarHBondContact O-N 3.12Å
576P67.3Low61Low62 Ų62124.7 Ų124.740%0.40366%0.655SS.*  trans-52.6136.6176.4-27.535.7000111.6D578 Q579 S580P576-D578 WeakPolarHBondContact CB-OD1 3.3Å; P576-D578 PolarHBondContact O-N 3.43Å; P576-D578 VanDerWaalsContact O-N 3.12Å; P576-Q579 WeakPolarHBondContact O-CA 3.49Å; P576-Q579 PolarHBondContact O-N 2.93Å; P576-S580 PolarHBondContact O-N 2.87Å
577R75.6Confident62.8Low239 Ų239122.3 Ų122.390%0.90265%0.651SS**Hα-helixtrans-59.2-27-172.7-167.5177.3176.8-180-1.2113.4P575 Q579 S580P575-R577 PolarHBondContact O-N 3.12Å; R577-Q579 VanDerWaalsContact C-N 3.25Å; R577-Q579 PolarHBondContact O-N 3.09Å; R577-S580 PolarHBondContact O-OG 3.37Å
578D71.5Confident64.5Low81 Ų81117.3 Ų117.343%0.43362%0.622SS.*Hα-helixtrans-73.7-14.4175.570.4-39.6000113.6P576 K592P576-D578 WeakPolarHBondContact CB-OD1 3.3Å; P576-D578 PolarHBondContact O-N 3.43Å; P576-D578 VanDerWaalsContact O-N 3.12Å; D578-K592 WeakPolarHBondContact OD2-CE 3.48Å; D578-K592 IonicContact OD2-NZ 2.96Å; D578-K592 PolarHBondContact OD2-NZ 3.14Å
579Q72.3Confident66.6Low73 Ų73113.6 Ų113.634%0.34161%0.613SS.*Hα-helixtrans-117.8-24.2-176.4-67.2169.931.500113.1P576 R577 G581 V582P576-Q579 WeakPolarHBondContact O-CA 3.49Å; P576-Q579 PolarHBondContact O-N 2.93Å; R577-Q579 VanDerWaalsContact C-N 3.25Å; R577-Q579 PolarHBondContact O-N 3.09Å; Q579-G581 VanDerWaalsContact C-N 3.25Å; Q579-G581 PolarHBondContact O-N 3.23Å; Q579-V582 PolarHBondContact O-N 2.93Å
580S75.6Confident68.9Low73 Ų73114.4 Ų114.451%0.5161%0.605SS.*Hα-helixtrans-65.8-25.4-175.364.40000114P576 R577P576-S580 PolarHBondContact O-N 2.87Å; R577-S580 PolarHBondContact O-OG 3.37Å
581G77.6Confident71.1Confident73 Ų73108.1 Ų108.175%0.75358%0.584SS**THydrogen-bonded Turntrans-99.69.3-178.900000114.8Q579Q579-G581 VanDerWaalsContact C-N 3.25Å; Q579-G581 PolarHBondContact O-N 3.23Å
582V78.3Confident73.2Confident39 Ų39107 Ų10724%0.23656%0.563CS.*  trans-125.6125.3-174.4-168.90000109.9Q579 M587 A588Q579-V582 PolarHBondContact O-N 2.93Å; V582-M587 HydrophobicContact CG1-CB 3.29Å; V582-A588 HydrophobicContact CG1-CB 4.24Å
583R73.8Confident75.3Confident208 Ų208109.4 Ų109.479%0.78556%0.556SS**SBendtrans-64-49.3-172.8-167-177.472.9-170.32.2112.9
584D76.8Confident77.1Confident63 Ų63107.9 Ų107.934%0.33754%0.538SS..SBendtrans-123.5148.4-169.1-60.3-40000112.4K586 M587 A588D584-K586 PolarHBondContact O-N 2.97Å; D584-M587 WeakPolarHBondContact O-CB 3.36Å; D584-M587 PolarHBondContact O-N 3.48Å; D584-A588 PolarHBondContact O-N 2.94Å
585P75.8Confident78.3Confident110 Ų110102.2 Ų102.271%0.71452%0.521SS*.Hα-helixtrans-62.8-25.4178.521.6-30.8000113.4A588 K589P585-A588 PolarHBondContact O-N 3.31Å; P585-K589 WeakPolarHBondContact O-CB 3.39Å; P585-K589 PolarHBondContact O-N 3.43Å
586K81.2Confident79.3Confident181 Ų181105.7 Ų105.779%0.78753%0.53SS*.Hα-helixtrans-64.3-45.4170.7-74.4-176179.8176.80111.4D584 K589 Q590D584-K586 PolarHBondContact O-N 2.97Å; K586-K589 PolarHBondContact O-N 3.28Å; K586-Q590 PolarHBondContact O-N 2.62Å
587M79.9Confident80.3Confident97 Ų97106.3 Ų106.348%0.47853%0.529SS..Hα-helixtrans-65.9-37.4174.2-78.3-174.872.700111.5V582 D584 K589 Q590 A591V582-M587 HydrophobicContact CG1-CB 3.29Å; D584-M587 WeakPolarHBondContact O-CB 3.36Å; D584-M587 PolarHBondContact O-N 3.48Å; M587-K589 VanDerWaalsContact C-N 3.29Å; M587-K589 PolarHBondContact O-N 3.21Å; M587-Q590 CarbonylContact O-C 3.57Å; M587-Q590 PolarHBondContact O-N 2.88Å; M587-Q590 VanDerWaalsContact O-N 3.17Å; M587-A591 WeakPolarHBondContact O-CB 3.49Å; M587-A591 PolarHBondContact O-N 3.06Å
588A79.1Confident80.8Confident23 Ų23102.2 Ų102.219%0.1952%0.521CS..Hα-helixtrans-63.1-38.117600000111.5V582 D584 P585 K592V582-A588 HydrophobicContact CG1-CB 4.24Å; D584-A588 PolarHBondContact O-N 2.94Å; P585-A588 PolarHBondContact O-N 3.31Å; A588-K592 PolarHBondContact O-N 3.35Å
589K82.4Confident81.6Confident167 Ų167101.4 Ų101.473%0.72651%0.514SS*.Hα-helixtrans-67.5-39.4173.6-164.1176.3-176.3179.50111.7P585 K586 M587 K592 K593P585-K589 WeakPolarHBondContact O-CB 3.39Å; P585-K589 PolarHBondContact O-N 3.43Å; K586-K589 PolarHBondContact O-N 3.28Å; M587-K589 VanDerWaalsContact C-N 3.29Å; M587-K589 PolarHBondContact O-N 3.21Å; K589-K592 PolarHBondContact O-N 3.39Å; K589-K593 WeakPolarHBondContact O-CB 3.48Å; K589-K593 PolarHBondContact O-N 3.4Å
590Q84.4Confident82.3Confident122 Ų122104 Ų10457%0.5752%0.524SS*.Hα-helixtrans-66.8-42.3175.6-169172.43.800112K586 M587 K593 L594K586-Q590 PolarHBondContact O-N 2.62Å; M587-Q590 CarbonylContact O-C 3.57Å; M587-Q590 PolarHBondContact O-N 2.88Å; M587-Q590 VanDerWaalsContact O-N 3.17Å; Q590-K593 WeakPolarHBondContact O-CB 3.19Å; Q590-K593 PolarHBondContact O-N 3.35Å; Q590-K593 VanDerWaalsContact O-N 3.15Å; Q590-L594 HydrophobicContact CG-CD1 4.32Å; Q590-L594 WeakPolarHBondContact O-CG 3.26Å; Q590-L594 PolarHBondContact O-N 3.3Å
591A83.6Confident82.8Confident45 Ų45104.8 Ų104.837%0.37252%0.523SS..Hα-helixtrans-61.7-43.8173.700000111.6M587 K593 L594 M595M587-A591 WeakPolarHBondContact O-CB 3.49Å; M587-A591 PolarHBondContact O-N 3.06Å; A591-K593 VanDerWaalsContact C-N 3.31Å; A591-K593 PolarHBondContact O-N 3.23Å; A591-L594 PolarHBondContact O-N 3.46Å; A591-M595 WeakPolarHBondContact O-CB 3.49Å; A591-M595 PolarHBondContact O-N 3.46Å
592K84.6Confident83.2Confident101 Ų101103.9 Ų103.944%0.43950%0.5SS..Hα-helixtrans-63.3-35.1172.6-78.2-170.4178.3-178.50112.8D578 A588 K589 K596D578-K592 WeakPolarHBondContact OD2-CE 3.48Å; D578-K592 IonicContact OD2-NZ 2.96Å; D578-K592 PolarHBondContact OD2-NZ 3.14Å; A588-K592 PolarHBondContact O-N 3.35Å; K589-K592 PolarHBondContact O-N 3.39Å; K592-K596 WeakPolarHBondContact O-CB 3.34Å; K592-K596 WeakPolarHBondContact O-CG 3.43Å; K592-K596 PolarHBondContact O-N 3.3Å
593K86.6Confident83.6Confident141 Ų141106.9 Ų106.961%0.61352%0.515SS*.Hα-helixtrans-68.5-42.5175.1-168.2179.3-178.8-176.20111.2K589 Q590 A591 K596 N597K589-K593 WeakPolarHBondContact O-CB 3.48Å; K589-K593 PolarHBondContact O-N 3.4Å; Q590-K593 WeakPolarHBondContact O-CB 3.19Å; Q590-K593 PolarHBondContact O-N 3.35Å; Q590-K593 VanDerWaalsContact O-N 3.15Å; A591-K593 VanDerWaalsContact C-N 3.31Å; A591-K593 PolarHBondContact O-N 3.23Å; K593-K596 PolarHBondContact O-N 2.96Å; K593-N597 WeakPolarHBondContact O-CB 3.34Å; K593-N597 PolarHBondContact O-N 3.36Å
594L87.6Confident84.3Confident96 Ų96106.4 Ų106.450%0.50351%0.513SS..Hα-helixtrans-62.7-45.9175.2-77.4163.3000111.5Q590 A591 K596 N597 Q598Q590-L594 HydrophobicContact CG-CD1 4.32Å; Q590-L594 WeakPolarHBondContact O-CG 3.26Å; Q590-L594 PolarHBondContact O-N 3.3Å; A591-L594 PolarHBondContact O-N 3.46Å; L594-K596 PolarHBondContact O-N 3.46Å; L594-N597 PolarHBondContact O-N 3.5Å; L594-N597 VanDerWaalsContact O-N 3.13Å; L594-Q598 WeakPolarHBondContact O-CG 3.47Å; L594-Q598 PolarHBondContact O-N 2.95Å
595M85.9Confident84.7Confident87 Ų87110 Ų11043%0.42953%0.527SS..Hα-helixtrans-56.1-49.3173.9-177-16380.100111.5A591 N597 Q598 Q599A591-M595 WeakPolarHBondContact O-CB 3.49Å; A591-M595 PolarHBondContact O-N 3.46Å; M595-N597 VanDerWaalsContact C-N 3.3Å; M595-N597 PolarHBondContact O-N 3.44Å; M595-Q598 PolarHBondContact O-N 2.97Å; M595-Q599 WeakPolarHBondContact O-CG 3.44Å; M595-Q599 PolarHBondContact O-N 3.37Å
596K85.9Confident85.3Confident138 Ų138107.7 Ų107.760%0.652%0.524SS*.Hα-helixtrans-63.2-35.2176.8-75.2-177.6177.4-170.20112.9K592 K593 L594K592-K596 WeakPolarHBondContact O-CB 3.34Å; K592-K596 WeakPolarHBondContact O-CG 3.43Å; K592-K596 PolarHBondContact O-N 3.3Å; K593-K596 PolarHBondContact O-N 2.96Å; L594-K596 PolarHBondContact O-N 3.46Å
597N88.3Confident85.6Confident75 Ų75101.3 Ų101.340%0.40150%0.496SS..Hα-helixtrans-69.3-42.2176.5-79.6-12.7000111.7K593 L594 M595 Q599 K600K593-N597 WeakPolarHBondContact O-CB 3.34Å; K593-N597 PolarHBondContact O-N 3.36Å; L594-N597 PolarHBondContact O-N 3.5Å; L594-N597 VanDerWaalsContact O-N 3.13Å; M595-N597 VanDerWaalsContact C-N 3.3Å; M595-N597 PolarHBondContact O-N 3.44Å; N597-Q599 VanDerWaalsContact C-N 3.29Å; N597-Q599 PolarHBondContact O-N 3.33Å; N597-K600 WeakPolarHBondContact O-CB 3.32Å; N597-K600 WeakPolarHBondContact O-CG 3.4Å; N597-K600 PolarHBondContact O-N 3.3Å; N597-K600 WeakPolarHBondContact OD1-CE 3.49Å
598Q86.3Confident85.9Confident154 Ų154106.2 Ų106.272%0.7252%0.515SS*.Hα-helixtrans-63.7-34.9175.6-75-177.9-15.700112.1L594 M595 K600L594-Q598 WeakPolarHBondContact O-CG 3.47Å; L594-Q598 PolarHBondContact O-N 2.95Å; M595-Q598 PolarHBondContact O-N 2.97Å; Q598-K600 PolarHBondContact O-N 2.82Å
599Q86.8Confident86.3Confident64 Ų64106.5 Ų106.530%0.29952%0.52SS..Hα-helixtrans-70.9-11.8177.1-71.4175.1-10.800114M595 N597 D601 M602 N603M595-Q599 WeakPolarHBondContact O-CG 3.44Å; M595-Q599 PolarHBondContact O-N 3.37Å; N597-Q599 VanDerWaalsContact C-N 3.29Å; N597-Q599 PolarHBondContact O-N 3.33Å; Q599-D601 VanDerWaalsContact C-N 3.33Å; Q599-D601 PolarHBondContact O-N 3.34Å; Q599-M602 HydrophobicContact CB-CE 4.24Å; Q599-M602 HydrophobicContact CG-CE 3.81Å; Q599-M602 PolarHBondContact O-N 3.43Å; Q599-N603 WeakPolarHBondContact O-CB 3.47Å; Q599-N603 PolarHBondContact O-N 2.95Å; Q599-N603 PolarHBondContact O-ND2 3.03Å; Q599-N603 PolarHBondContact O-OD1 3.48Å
600K87.8Confident86.5Confident127 Ų127105.9 Ų105.955%0.55252%0.52SS*.Hα-helixtrans-60.2-38.7-177.2-74.4-175177.9-176.30113.2N597 Q598 N603 R604N597-K600 WeakPolarHBondContact O-CB 3.32Å; N597-K600 WeakPolarHBondContact O-CG 3.4Å; N597-K600 PolarHBondContact O-N 3.3Å; N597-K600 WeakPolarHBondContact OD1-CE 3.49Å; Q598-K600 PolarHBondContact O-N 2.82Å; K600-N603 PolarHBondContact O-N 3.23Å; K600-R604 VanDerWaalsContact O-CB 3.27Å; K600-R604 WeakPolarHBondContact O-CB 3.36Å; K600-R604 PolarHBondContact O-N 3.47Å
601D86.6Confident86.6Confident90 Ų90104.1 Ų104.148%0.48153%0.526SS..Hα-helixtrans-67.8-43.2-179.6-81.8-31.4000112.1Q599 N603 R604 Q605Q599-D601 VanDerWaalsContact C-N 3.33Å; Q599-D601 PolarHBondContact O-N 3.34Å; D601-N603 VanDerWaalsContact C-N 3.34Å; D601-N603 PolarHBondContact O-N 3.44Å; D601-R604 PolarHBondContact O-N 3.01Å; D601-R604 IonicContact OD1-CZ 3.45Å; D601-R604 IonicContact OD1-NE 3.61Å; D601-R604 IonicContact OD1-NH2 2.71Å; D601-R604 PolarHBondContact OD1-NH2 3.49Å; D601-Q605 WeakPolarHBondContact O-CG 3.41Å; D601-Q605 PolarHBondContact O-N 2.97Å
602M85.3Confident86.7Confident53 Ų53104 Ų10426%0.26152%0.519SS..Hα-helixtrans-61.9-43.9173.9-64.9-169.1-54.100111.5Q599 R604 Q605 G606 K607 E610Q599-M602 HydrophobicContact CB-CE 4.24Å; Q599-M602 HydrophobicContact CG-CE 3.81Å; Q599-M602 PolarHBondContact O-N 3.43Å; M602-R604 VanDerWaalsContact C-N 3.33Å; M602-R604 PolarHBondContact O-N 3Å; M602-Q605 CarbonylContact O-C 3.56Å; M602-Q605 PolarHBondContact O-N 3.41Å; M602-G606 PolarHBondContact O-N 3.01Å; M602-G606 VanDerWaalsContact O-N 3.15Å; M602-K607 HydrophobicContact CB-CB 4.24Å; M602-K607 PolarHBondContact O-N 3.15Å; M602-E610 HydrophobicContact CE-CB 4.01Å; M602-E610 HydrophobicContact SD-CB 4.02Å
603N87.7Confident86.8Confident103 Ų103109.2 Ų109.255%0.55154%0.536SS*.Hα-helixtrans-64.4-39177.8-67.8-9.5000111.5Q599 K600 D601 Q605 G606Q599-N603 WeakPolarHBondContact O-CB 3.47Å; Q599-N603 PolarHBondContact O-N 2.95Å; Q599-N603 PolarHBondContact O-ND2 3.03Å; Q599-N603 PolarHBondContact O-OD1 3.48Å; K600-N603 PolarHBondContact O-N 3.23Å; D601-N603 VanDerWaalsContact C-N 3.34Å; D601-N603 PolarHBondContact O-N 3.44Å; N603-Q605 VanDerWaalsContact C-N 3.31Å; N603-Q605 PolarHBondContact O-N 3.18Å; N603-G606 PolarHBondContact O-N 2.98Å
604R88.3Confident86.8Confident198 Ų198107.7 Ų107.775%0.74753%0.531SS*.Hα-helixtrans-64-35.9175.5-179.8171.461.3163-1.9111.9K600 D601 M602 G606K600-R604 VanDerWaalsContact O-CB 3.27Å; K600-R604 WeakPolarHBondContact O-CB 3.36Å; K600-R604 PolarHBondContact O-N 3.47Å; D601-R604 PolarHBondContact O-N 3.01Å; D601-R604 IonicContact OD1-CZ 3.45Å; D601-R604 IonicContact OD1-NE 3.61Å; D601-R604 IonicContact OD1-NH2 2.71Å; D601-R604 PolarHBondContact OD1-NH2 3.49Å; M602-R604 VanDerWaalsContact C-N 3.33Å; M602-R604 PolarHBondContact O-N 3Å; R604-G606 PolarHBondContact O-N 3.29Å
605Q84.8Confident86.8Confident137 Ų137109.3 Ų109.364%0.6454%0.544SS*.THydrogen-bonded Turntrans-79.20.1173.2-67.7179.6600113.5D601 M602 N603 K607D601-Q605 WeakPolarHBondContact O-CG 3.41Å; D601-Q605 PolarHBondContact O-N 2.97Å; M602-Q605 CarbonylContact O-C 3.56Å; M602-Q605 PolarHBondContact O-N 3.41Å; N603-Q605 VanDerWaalsContact C-N 3.31Å; N603-Q605 PolarHBondContact O-N 3.18Å; Q605-K607 VanDerWaalsContact C-N 3.28Å; Q605-K607 HydrophobicContact CB-CG 4.14Å; Q605-K607 PolarHBondContact O-N 3.39Å
606G87.8Confident87Confident62 Ų62111.7 Ų111.764%0.63955%0.553SS**THydrogen-bonded Turntrans68.322179.900000114.6M602 N603 R604M602-G606 PolarHBondContact O-N 3.01Å; M602-G606 VanDerWaalsContact O-N 3.15Å; N603-G606 PolarHBondContact O-N 2.98Å; R604-G606 PolarHBondContact O-N 3.29Å
607K87.5Confident87.1Confident48 Ų48110.5 Ų110.521%0.20955%0.553CS.*  trans-67.5141.6178.8-63.2-57.9-162.2165.70110.9M602 Q605 G609 D612 H614M602-K607 HydrophobicContact CB-CB 4.24Å; M602-K607 PolarHBondContact O-N 3.15Å; Q605-K607 VanDerWaalsContact C-N 3.28Å; Q605-K607 HydrophobicContact CB-CG 4.14Å; Q605-K607 PolarHBondContact O-N 3.39Å; K607-G609 PolarHBondContact O-N 3.41Å; K607-G609 VanDerWaalsContact O-N 3.14Å; K607-D612 HydrophobicContact CB-CB 4.38Å; K607-D612 WeakPolarHBondContact CD-O 3.45Å; K607-H614 PolarHBondContact NZ-O 3.15Å
608K87.6Confident87.1Confident199 Ų199114.1 Ų114.187%0.86557%0.571SS**SBendtrans-74.52.1-179-64178.7-178.4176.30114.3D612K608-D612 HydrophobicContact CB-CB 4.19Å; K608-D612 PolarHBondContact N-OD2 3.48Å
609G87.3Confident87.2Confident30 Ų30114.3 Ų114.331%0.30957%0.57SS.*SBendtrans148.9-179.9-18000000110.9K607 A611 D612K607-G609 PolarHBondContact O-N 3.41Å; K607-G609 VanDerWaalsContact O-N 3.14Å; G609-A611 PolarHBondContact O-N 2.93Å; G609-D612 PolarHBondContact O-N 3.17Å; G609-D612 VanDerWaalsContact O-N 3.09Å
610E86.5Confident87.3Confident154 Ų154112.5 Ų112.572%0.7256%0.563SS**THydrogen-bonded Turntrans-64-23.9178.866.7-176.6-175.200113.8M602 D612M602-E610 HydrophobicContact CE-CB 4.01Å; M602-E610 HydrophobicContact SD-CB 4.02Å; E610-D612 VanDerWaalsContact C-N 3.31Å
611A86.5Confident87.3Confident85 Ų85114.2 Ų114.270%0.70257%0.571SS**THydrogen-bonded Turntrans-76.1-18.3176.700000113.1G609 R613G609-A611 PolarHBondContact O-N 2.93Å; A611-R613 VanDerWaalsContact C-N 3.34Å; A611-R613 PolarHBondContact O-N 2.94Å
612D85.9Confident87.3Confident41 Ų41117 Ų11722%0.21958%0.581CS.*  trans-82.179.2-177.4-176.310.2000111.6K607 K608 G609 E610 H614K607-D612 HydrophobicContact CB-CB 4.38Å; K607-D612 WeakPolarHBondContact CD-O 3.45Å; K608-D612 HydrophobicContact CB-CB 4.19Å; K608-D612 PolarHBondContact N-OD2 3.48Å; G609-D612 PolarHBondContact O-N 3.17Å; G609-D612 VanDerWaalsContact O-N 3.09Å; E610-D612 VanDerWaalsContact C-N 3.31Å; D612-H614 PolarHBondContact OD1-N 3.41Å
613R87.1Confident87.3Confident211 Ų211120.2 Ų120.280%0.79660%0.599SS**  trans-100.323.2177-65.7177.5-77.8179.2-3.9112.3A611 V615A611-R613 VanDerWaalsContact C-N 3.34Å; A611-R613 PolarHBondContact O-N 2.94Å; R613-V615 PolarHBondContact O-N 2.77Å
614H86.3Confident87.3Confident110 Ų110122.1 Ų122.151%0.50960%0.602SS.*  trans-65.2124.7179.8-172.8-108.6000110.8K607 D612 F616K607-H614 PolarHBondContact NZ-O 3.15Å; D612-H614 PolarHBondContact OD1-N 3.41Å; H614-F616 AromaticContact CE1-CD1 3.6Å; H614-F616 AromaticContact CE1-CE1 3.7Å; H614-F616 AromaticContact ND1-CD1 3.52Å; H614-F616 AromaticContact ND1-CE1 3.39Å; H614-F616 WeakPolarHBondContact ND1-CE1 3.48Å; H614-F616 AromaticContact ND1-CG 3.96Å; H614-F616 AromaticContact ND1-CZ 3.71Å
615V87.6Confident87.1Confident129 Ų129115.4 Ų115.478%0.78259%0.585SS**  trans-96113.4173.5-178.70000107R613R613-V615 PolarHBondContact O-N 2.77Å
616F88.7Confident87Confident138 Ų138112.2 Ų112.261%0.60559%0.59SS**  trans-72.3134.9176-67-76.7000110.1H614 L618H614-F616 AromaticContact CE1-CD1 3.6Å; H614-F616 AromaticContact CE1-CE1 3.7Å; H614-F616 AromaticContact ND1-CD1 3.52Å; H614-F616 AromaticContact ND1-CE1 3.39Å; H614-F616 WeakPolarHBondContact ND1-CE1 3.48Å; H614-F616 AromaticContact ND1-CG 3.96Å; H614-F616 AromaticContact ND1-CZ 3.71Å; F616-L618 HydrophobicContact CB-CD2 4.3Å; F616-L618 PolarHBondContact O-N 2.97Å
617D89.1Confident86.7Confident113 Ų113118.6 Ų118.660%0.60460%0.6SS**  trans-76.392.8168.2-173.63.9000108.9K619 P620D617-K619 PolarHBondContact O-N 2.86Å; D617-K619 VanDerWaalsContact OD1-C 3.25Å; D617-K619 PolarHBondContact OD1-N 3.29Å; D617-P620 VanDerWaalsContact OD2-CA 3.28Å; D617-P620 WeakPolarHBondContact OD2-CA 3.49Å
618L87.7Confident86.3Confident150 Ų150125.5 Ų125.579%0.78562%0.624SS**SBendtrans-72-19.3-177.9-64.7175000112.7F616F616-L618 HydrophobicContact CB-CD2 4.3Å; F616-L618 PolarHBondContact O-N 2.97Å
619K87.6Confident86.1Confident159 Ų159124.2 Ų124.269%0.69162%0.619SS**SBendtrans-131.668.4-179.5-72.1-172.9175.8-178.50110D617 K621 F624D617-K619 PolarHBondContact O-N 2.86Å; D617-K619 VanDerWaalsContact OD1-C 3.25Å; D617-K619 PolarHBondContact OD1-N 3.29Å; K619-K621 PolarHBondContact O-N 3.38Å; K619-F624 HydrophobicContact CB-CD2 4.02Å; K619-F624 HydrophobicContact CB-CE2 4.22Å; K619-F624 HydrophobicContact CG-CD2 4.42Å; K619-F624 HydrophobicContact CG-CE2 4.27Å
620P89.2Confident85.7Confident25 Ų25129.6 Ų129.616%0.16265%0.652CS.*  trans-61.7126.7-176.626.1-35.2000110.8D617 H622 L623 F624D617-P620 VanDerWaalsContact OD2-CA 3.28Å; D617-P620 WeakPolarHBondContact OD2-CA 3.49Å; P620-H622 PolarHBondContact O-N 3.05Å; P620-H622 VanDerWaalsContact O-N 3.08Å; P620-L623 HydrophobicContact CG-CB 4.43Å; P620-L623 HydrophobicContact CG-CD1 3.7Å; P620-L623 HydrophobicContact CG-CG 4.03Å; P620-L623 PolarHBondContact O-N 3.44Å; P620-F624 WeakPolarHBondContact O-CD2 3.33Å; P620-F624 PolarHBondContact O-N 2.9Å
621K88.9Confident85.5Confident164 Ų164124.7 Ų124.771%0.71364%0.643SS**Hα-helixtrans-54.7-34.2-170.2-177174.6178.3-175.20113.2K619 L623 F624 S625K619-K621 PolarHBondContact O-N 3.38Å; K621-L623 VanDerWaalsContact C-N 3.26Å; K621-L623 PolarHBondContact O-N 2.83Å; K621-F624 PolarHBondContact O-N 3.39Å; K621-S625 WeakPolarHBondContact CG-OG 3.5Å; K621-S625 WeakPolarHBondContact O-CA 3.43Å; K621-S625 VanDerWaalsContact O-CB 3.3Å; K621-S625 WeakPolarHBondContact O-CB 3.27Å; K621-S625 PolarHBondContact O-N 3.13Å; K621-S625 PolarHBondContact O-OG 3.04Å
622H87Confident84.9Confident149 Ų149127.1 Ų127.169%0.6965%0.649SS**Hα-helixtrans-68.8-19.7179.967.1-92.1000114.2P620P620-H622 PolarHBondContact O-N 3.05Å; P620-H622 VanDerWaalsContact O-N 3.08Å
623L84.4Confident84.8Confident120 Ų120128.1 Ų128.163%0.62865%0.654SS**Hα-helixtrans-89.7-36.4174.1-63-176.8000112.3P620 K621P620-L623 HydrophobicContact CG-CB 4.43Å; P620-L623 HydrophobicContact CG-CD1 3.7Å; P620-L623 HydrophobicContact CG-CG 4.03Å; P620-L623 PolarHBondContact O-N 3.44Å; K621-L623 VanDerWaalsContact C-N 3.26Å; K621-L623 PolarHBondContact O-N 2.83Å
624F87Confident84.5Confident142 Ų142125.4 Ų125.462%0.62366%0.656SS**Hα-helixtrans-103.7-3-170.2-66.4-78.2000114.2K619 P620 K621K619-F624 HydrophobicContact CB-CD2 4.02Å; K619-F624 HydrophobicContact CB-CE2 4.22Å; K619-F624 HydrophobicContact CG-CD2 4.42Å; K619-F624 HydrophobicContact CG-CE2 4.27Å; P620-F624 WeakPolarHBondContact O-CD2 3.33Å; P620-F624 PolarHBondContact O-N 2.9Å; K621-F624 PolarHBondContact O-N 3.39Å
625S84.1Confident84.2Confident57 Ų57126.6 Ų126.640%0.39966%0.661SS.*SBendtrans-129.9148.5176.5780000111.5K621K621-S625 WeakPolarHBondContact CG-OG 3.5Å; K621-S625 WeakPolarHBondContact O-CA 3.43Å; K621-S625 VanDerWaalsContact O-CB 3.3Å; K621-S625 WeakPolarHBondContact O-CB 3.27Å; K621-S625 PolarHBondContact O-N 3.13Å; K621-S625 PolarHBondContact O-OG 3.04Å
626G83.6Confident83.6Confident71 Ų71135.3 Ų135.373%0.73268%0.68SS**  trans100159.6-169.600000112.3
627K82.1Confident83.3Confident196 Ų196135.2 Ų135.285%0.85268%0.684SS**  trans-128.2138.3168.9-68.2-173.3-178.8-178.90107.6K629K627-K629 PolarHBondContact O-N 2.86Å
628R79.1Confident83Confident192 Ų192136.4 Ų136.473%0.72569%0.688SS**  trans-61122.5175.6-165.3177.1-178.4178.32.9109.3N633R628-N633 WeakPolarHBondContact CG-OD1 3.44Å; R628-N633 VanDerWaalsContact NE-CG 3.26Å; R628-N633 PolarHBondContact NE-ND2 3.18Å; R628-N633 PolarHBondContact NE-OD1 3.31Å; R628-N633 PolarHBondContact NH2-ND2 3.43Å
629K83.1Confident82.8Confident173 Ų173135.6 Ų135.675%0.75268%0.683SS**  trans-95.4162.7175.4-66.6-174.9179.8178.30109.7K627 G631K627-K629 PolarHBondContact O-N 2.86Å; K629-G631 PolarHBondContact O-N 3.27Å
630S78.6Confident82.5Confident142 Ų142134.2 Ų134.299%0.99368%0.682SS**SBendtrans-74.869.1172.3-175.30000110.1
631G81.6Confident82.1Confident52 Ų52141.1 Ų141.154%0.53672%0.715SS.*SBendtrans-169.1-141.4-177.200000110.9K629K629-G631 PolarHBondContact O-N 3.27Å
632T75.3Confident81.6Confident136 Ų136139.5 Ų139.583%0.83472%0.715SS**  trans-68.2141175.141.30000111.4
633N82.3Confident81.2Confident62 Ų62138.9 Ų138.933%0.33272%0.717SS.*  trans-105.9146.8179.8-56.3-53000110.1R628 H635R628-N633 WeakPolarHBondContact CG-OD1 3.44Å; R628-N633 VanDerWaalsContact NE-CG 3.26Å; R628-N633 PolarHBondContact NE-ND2 3.18Å; R628-N633 PolarHBondContact NE-OD1 3.31Å; R628-N633 PolarHBondContact NH2-ND2 3.43Å; N633-H635 PolarHBondContact O-N 2.71Å
634D81.4Confident81Confident154 Ų154140.3 Ų140.382%0.82472%0.723SS**SBendtrans-77.5-3.3-176.1-58-37000113.5
635H79.9Confident80.5Confident135 Ų135140.2 Ų140.263%0.62573%0.732SS**  trans-138.7151.2172.757.2-82.5000109.5N633N633-H635 PolarHBondContact O-N 2.71Å
636R74.6Confident80.1Confident312 Ų312147.7 Ų147.7100%1.17776%0.762SS**  trans-78.80-178.9-173.8175.2179.7179-0.5112.1

Retrieved 636 of 636 residues in 1712.9 ms (Link to these results)

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