A0A3Q0KDY6_SCHMA Loading...

Camp-dependent protein kinase type I-beta regulatory subunit, putative

AlphaFold DB , UniProt , Accession A0A3Q0KDY6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 477 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M58.2Low78.9Confident202 Ų202117.7 Ų117.7100%0.99560%0.601SS**  0-45.20-85.5-166.7-80.900111.2E4 S5M1-E4 PolarHBondContact O-N 3.22Å; M1-S5 PolarHBondContact O-N 3.33Å
2E68.1Low79.4Confident175 Ų175114.6 Ų114.682%0.81859%0.587SS**Hα-helixtrans-62.7-41.6177.1-70177171.700113.4E4 S5 F6E2-E4 PolarHBondContact O-N 3.41Å; E2-S5 WeakPolarHBondContact O-CB 3.45Å; E2-S5 PolarHBondContact O-N 3.15Å; E2-F6 PolarHBondContact O-N 3.41Å
3D76.6Confident79.8Confident134 Ų134116.4 Ų116.472%0.71758%0.583SS**Hα-helixtrans-66.8-35.8179.3-65-33.4000113.9F6 M7D3-F6 PolarHBondContact O-N 3.27Å; D3-M7 WeakPolarHBondContact O-CG 3.47Å; D3-M7 PolarHBondContact O-N 2.89Å
4E77.1Confident80.1Confident150 Ų150110.9 Ų110.970%0.70156%0.559SS**Hα-helixtrans-69.9-37.7176.2-83.9-178.2152.100111.5M1 E2 S8M1-E4 PolarHBondContact O-N 3.22Å; E2-E4 PolarHBondContact O-N 3.41Å; E4-S8 WeakPolarHBondContact O-CB 3.35Å; E4-S8 PolarHBondContact O-N 3.14Å
5S80.6Confident80.2Confident64 Ų64112.2 Ų112.245%0.44856%0.559SS.*Hα-helixtrans-61.2-46.9171.9-172.90000110.6M1 E2 M7 S8 D9M1-S5 PolarHBondContact O-N 3.33Å; E2-S5 WeakPolarHBondContact O-CB 3.45Å; E2-S5 PolarHBondContact O-N 3.15Å; S5-M7 PolarHBondContact O-N 3.3Å; S5-S8 WeakPolarHBondContact O-CB 3.28Å; S5-S8 PolarHBondContact O-N 3.07Å; S5-D9 PolarHBondContact O-N 3.48Å
6F83.9Confident80.5Confident136 Ų136114.8 Ų114.860%0.59657%0.569SS**Hα-helixtrans-63.5-42.6-179.1-175.4-98.6000112.6E2 D3 S8 D9 V10E2-F6 PolarHBondContact O-N 3.41Å; D3-F6 PolarHBondContact O-N 3.27Å; F6-S8 VanDerWaalsContact C-N 3.35Å; F6-D9 PolarHBondContact O-N 3.44Å; F6-V10 HydrophobicContact CD1-CG2 4.26Å; F6-V10 HydrophobicContact CE1-CG2 3.87Å; F6-V10 HydrophobicContact CZ-CG2 4.06Å; F6-V10 WeakPolarHBondContact O-CG2 3.24Å; F6-V10 PolarHBondContact O-N 3.32Å
7M82.8Confident80.6Confident114 Ų114112.6 Ų112.656%0.56256%0.557SS**Hα-helixtrans-64.1-39.7175.5-78.4-69.6-64.700112.1D3 S5 V10 E11D3-M7 WeakPolarHBondContact O-CG 3.47Å; D3-M7 PolarHBondContact O-N 2.89Å; S5-M7 PolarHBondContact O-N 3.3Å; M7-V10 PolarHBondContact O-N 3.39Å; M7-E11 PolarHBondContact O-N 3.39Å
8S85.3Confident80.9Confident57 Ų57111.2 Ų111.240%0.39955%0.552SS.*Hα-helixtrans-62-44.6174.1-167.40000111.3E4 S5 F6 V10 E11 D12E4-S8 WeakPolarHBondContact O-CB 3.35Å; E4-S8 PolarHBondContact O-N 3.14Å; S5-S8 WeakPolarHBondContact O-CB 3.28Å; S5-S8 PolarHBondContact O-N 3.07Å; F6-S8 VanDerWaalsContact C-N 3.35Å; S8-V10 VanDerWaalsContact C-N 3.32Å; S8-V10 PolarHBondContact O-N 3.07Å; S8-E11 PolarHBondContact O-N 3.38Å; S8-D12 WeakPolarHBondContact O-CB 3.37Å; S8-D12 PolarHBondContact O-N 3.18Å
9D85.7Confident81.1Confident94 Ų94107.7 Ų107.750%0.50354%0.537SS..Hα-helixtrans-63-38.1178.7-65.8-27.7000111.8S5 F6 Y13S5-D9 PolarHBondContact O-N 3.48Å; F6-D9 PolarHBondContact O-N 3.44Å; D9-Y13 WeakPolarHBondContact O-CB 3.06Å; D9-Y13 PolarHBondContact O-N 3.33Å
10V84.8Confident81.2Confident64 Ų64109.7 Ų109.739%0.38854%0.544SS..Hα-helixtrans-69-43.6175.4173.40000111.6F6 M7 S8 D12 Y13 V14F6-V10 HydrophobicContact CD1-CG2 4.26Å; F6-V10 HydrophobicContact CE1-CG2 3.87Å; F6-V10 HydrophobicContact CZ-CG2 4.06Å; F6-V10 WeakPolarHBondContact O-CG2 3.24Å; F6-V10 PolarHBondContact O-N 3.32Å; M7-V10 PolarHBondContact O-N 3.39Å; S8-V10 VanDerWaalsContact C-N 3.32Å; S8-V10 PolarHBondContact O-N 3.07Å; V10-D12 VanDerWaalsContact C-N 3.31Å; V10-D12 PolarHBondContact O-N 3.49Å; V10-Y13 PolarHBondContact O-N 3.04Å; V10-V14 HydrophobicContact CG1-CG2 4.48Å; V10-V14 WeakPolarHBondContact O-CB 3.45Å; V10-V14 WeakPolarHBondContact O-CG2 3.47Å; V10-V14 PolarHBondContact O-N 3.46Å
11E84.7Confident81.4Confident105 Ų105110.4 Ų110.449%0.49155%0.546SS..Hα-helixtrans-62.4-40.7175.3-80.1-167.2-173.100111.9M7 S8 V14 K15M7-E11 PolarHBondContact O-N 3.39Å; S8-E11 PolarHBondContact O-N 3.38Å; E11-V14 PolarHBondContact O-N 2.94Å; E11-K15 WeakPolarHBondContact O-CB 3.47Å; E11-K15 WeakPolarHBondContact O-CG 3.35Å; E11-K15 PolarHBondContact O-N 2.93Å; E11-K15 IonicContact OE2-NZ 2.68Å
12D85.4Confident82.8Confident80 Ų80103 Ų10343%0.42851%0.511SS..Hα-helixtrans-66.4-40.1176.3-75.6-20.4000110.9S8 V10 K15 Q16S8-D12 WeakPolarHBondContact O-CB 3.37Å; S8-D12 PolarHBondContact O-N 3.18Å; V10-D12 VanDerWaalsContact C-N 3.31Å; V10-D12 PolarHBondContact O-N 3.49Å; D12-K15 PolarHBondContact O-N 3.41Å; D12-Q16 WeakPolarHBondContact O-CB 3.49Å; D12-Q16 PolarHBondContact O-N 3.32Å
13Y84.5Confident83.7Confident138 Ų13898.8 Ų98.854%0.54149%0.493SS..Hα-helixtrans-61.8-46.7172.7-173.8-87.9000112.2D9 V10 K15 Q16 H17D9-Y13 WeakPolarHBondContact O-CB 3.06Å; D9-Y13 PolarHBondContact O-N 3.33Å; V10-Y13 PolarHBondContact O-N 3.04Å; Y13-K15 VanDerWaalsContact C-N 3.32Å; Y13-K15 PolarHBondContact O-N 2.97Å; Y13-Q16 PolarHBondContact O-N 2.91Å; Y13-H17 AromaticContact CD1-CD2 3.85Å; Y13-H17 AromaticContact CD2-CD2 3.45Å; Y13-H17 VanDerWaalsContact CD2-CD2 3.45Å; Y13-H17 WeakPolarHBondContact CD2-CD2 3.42Å; Y13-H17 AromaticContact CD2-NE2 3.64Å; Y13-H17 AromaticContact CE1-CD2 3.69Å; Y13-H17 AromaticContact CE2-CD2 3.28Å; Y13-H17 WeakPolarHBondContact CE2-CD2 3.36Å; Y13-H17 AromaticContact CE2-NE2 3.24Å; Y13-H17 WeakPolarHBondContact CE2-NE2 3.32Å; Y13-H17 AromaticContact CG-CD2 3.73Å; Y13-H17 AromaticContact CZ-CD2 3.4Å; Y13-H17 VanDerWaalsContact CZ-CD2 3.4Å; Y13-H17 AromaticContact CZ-NE2 3.69Å; Y13-H17 WeakPolarHBondContact O-CB 3.43Å; Y13-H17 PolarHBondContact O-CD2 2.95Å; Y13-H17 VanDerWaalsContact O-CD2 3.27Å; Y13-H17 PolarHBondContact O-N 3.24Å
14V84Confident84.1Confident40 Ų40101.4 Ų101.424%0.24249%0.493CS..Hα-helixtrans-61.2-41.4178.9165.70000111.3V10 E11 N18 V19V10-V14 HydrophobicContact CG1-CG2 4.48Å; V10-V14 WeakPolarHBondContact O-CB 3.45Å; V10-V14 WeakPolarHBondContact O-CG2 3.47Å; V10-V14 PolarHBondContact O-N 3.46Å; E11-V14 PolarHBondContact O-N 2.94Å; V14-N18 PolarHBondContact O-N 2.99Å; V14-V19 HydrophobicContact CG1-CB 4.26Å; V14-V19 PolarHBondContact O-N 3.47Å; V14-V19 VanDerWaalsContact O-N 3.11Å
15K81.7Confident84.5Confident130 Ų13098.8 Ų98.857%0.56548%0.483SS*.Hα-helixtrans-69.3-46.9174.9-75.9173.1-172.8153.60111.7E11 D12 Y13 H17 N18E11-K15 WeakPolarHBondContact O-CB 3.47Å; E11-K15 WeakPolarHBondContact O-CG 3.35Å; E11-K15 PolarHBondContact O-N 2.93Å; E11-K15 IonicContact OE2-NZ 2.68Å; D12-K15 PolarHBondContact O-N 3.41Å; Y13-K15 VanDerWaalsContact C-N 3.32Å; Y13-K15 PolarHBondContact O-N 2.97Å; K15-H17 PolarHBondContact O-N 3.38Å; K15-N18 PolarHBondContact O-N 3Å; K15-N18 PolarHBondContact O-OD1 3.41Å
16Q84.1Confident84.8Confident153 Ų15395.9 Ų95.972%0.71546%0.463SS*.Hα-helixtrans-62.1-32.9-177.7-175173.811.400112.2D12 Y13D12-Q16 WeakPolarHBondContact O-CB 3.49Å; D12-Q16 PolarHBondContact O-N 3.32Å; Y13-Q16 PolarHBondContact O-N 2.91Å
17H83.5Confident85Confident78 Ų7893.7 Ų93.736%0.36146%0.461SS..THydrogen-bonded Turntrans-100.811-179.6-67.8-71.9000114.5Y13 K15 V19Y13-H17 AromaticContact CD1-CD2 3.85Å; Y13-H17 AromaticContact CD2-CD2 3.45Å; Y13-H17 VanDerWaalsContact CD2-CD2 3.45Å; Y13-H17 WeakPolarHBondContact CD2-CD2 3.42Å; Y13-H17 AromaticContact CD2-NE2 3.64Å; Y13-H17 AromaticContact CE1-CD2 3.69Å; Y13-H17 AromaticContact CE2-CD2 3.28Å; Y13-H17 WeakPolarHBondContact CE2-CD2 3.36Å; Y13-H17 AromaticContact CE2-NE2 3.24Å; Y13-H17 WeakPolarHBondContact CE2-NE2 3.32Å; Y13-H17 AromaticContact CG-CD2 3.73Å; Y13-H17 AromaticContact CZ-CD2 3.4Å; Y13-H17 VanDerWaalsContact CZ-CD2 3.4Å; Y13-H17 AromaticContact CZ-NE2 3.69Å; Y13-H17 WeakPolarHBondContact O-CB 3.43Å; Y13-H17 PolarHBondContact O-CD2 2.95Å; Y13-H17 VanDerWaalsContact O-CD2 3.27Å; Y13-H17 PolarHBondContact O-N 3.24Å; K15-H17 PolarHBondContact O-N 3.38Å; H17-V19 HydrophobicContact CB-CG2 3.84Å; H17-V19 PolarHBondContact O-N 3.31Å
18N85Confident85.1Confident87 Ų8791.7 Ų91.747%0.46546%0.455SS..THydrogen-bonded Turntrans46.735.1-178.6-91.916.8000113.8V14 K15 H20 E21 I22V14-N18 PolarHBondContact O-N 2.99Å; K15-N18 PolarHBondContact O-N 3Å; K15-N18 PolarHBondContact O-OD1 3.41Å; N18-H20 PolarHBondContact O-N 3.49Å; N18-H20 VanDerWaalsContact O-N 3.15Å; N18-E21 HydrophobicContact CB-CB 4.49Å; N18-E21 PolarHBondContact ND2-OE2 2.89Å; N18-E21 PolarHBondContact O-N 2.94Å; N18-I22 PolarHBondContact O-N 2.75Å; N18-I22 VanDerWaalsContact O-N 3.11Å
19V84.4Confident85.1Confident45 Ų4591 Ų9127%0.27345%0.447SS..Hα-helixtrans-59.9-35.4-171-179.90000111.3V14 H17 I22 L23V14-V19 HydrophobicContact CG1-CB 4.26Å; V14-V19 PolarHBondContact O-N 3.47Å; V14-V19 VanDerWaalsContact O-N 3.11Å; H17-V19 HydrophobicContact CB-CG2 3.84Å; H17-V19 PolarHBondContact O-N 3.31Å; V19-I22 PolarHBondContact O-N 3.32Å; V19-L23 HydrophobicContact CG1-CD1 3.98Å; V19-L23 HydrophobicContact CG1-CG 4.32Å; V19-L23 WeakPolarHBondContact O-CB 3.45Å; V19-L23 WeakPolarHBondContact O-CG 3.35Å; V19-L23 PolarHBondContact O-N 2.85Å
20H83.4Confident85.1Confident147 Ų14789 Ų8968%0.68144%0.436SS*.Hα-helixtrans-62.8-42.3175.8-91.6-67.6000113.6N18 R24N18-H20 PolarHBondContact O-N 3.49Å; N18-H20 VanDerWaalsContact O-N 3.15Å; H20-R24 WeakPolarHBondContact O-CB 3.49Å; H20-R24 PolarHBondContact O-N 3.42Å
21E85Confident85.2Confident126 Ų12689.8 Ų89.859%0.58944%0.443SS*.Hα-helixtrans-67.8-43.1177.2-77.7-170154.500111N18 L23 R24 D25N18-E21 HydrophobicContact CB-CB 4.49Å; N18-E21 PolarHBondContact ND2-OE2 2.89Å; N18-E21 PolarHBondContact O-N 2.94Å; E21-L23 PolarHBondContact O-N 3.39Å; E21-R24 WeakPolarHBondContact O-CB 3.47Å; E21-R24 PolarHBondContact O-N 3.29Å; E21-R24 VanDerWaalsContact O-N 3.16Å; E21-D25 PolarHBondContact O-N 2.9Å
22I87.2Confident85Confident47 Ų4790.9 Ų90.924%0.24145%0.452CS..Hα-helixtrans-59.1-46.7177.5-67.7172.7000110.9N18 V19 R24 D25 C26 F46 L49N18-I22 PolarHBondContact O-N 2.75Å; N18-I22 VanDerWaalsContact O-N 3.11Å; V19-I22 PolarHBondContact O-N 3.32Å; I22-R24 VanDerWaalsContact C-N 3.34Å; I22-R24 PolarHBondContact O-N 3.4Å; I22-D25 PolarHBondContact O-N 3.23Å; I22-C26 VanDerWaalsContact O-CB 3.27Å; I22-C26 WeakPolarHBondContact O-CB 3.4Å; I22-C26 PolarHBondContact O-N 3.29Å; I22-F46 HydrophobicContact CG2-CD1 4.5Å; I22-F46 HydrophobicContact CG2-CE1 3.95Å; I22-L49 HydrophobicContact CG2-CD1 3.45Å; I22-L49 VanDerWaalsContact CG2-CD1 3.45Å
23L87.1Confident84.9Confident86 Ų8692.1 Ų92.145%0.4546%0.455SS..Hα-helixtrans-64.7-38.5177-74.1173.5000111.8V19 E21 C26 V27 F46V19-L23 HydrophobicContact CG1-CD1 3.98Å; V19-L23 HydrophobicContact CG1-CG 4.32Å; V19-L23 WeakPolarHBondContact O-CB 3.45Å; V19-L23 WeakPolarHBondContact O-CG 3.35Å; V19-L23 PolarHBondContact O-N 2.85Å; E21-L23 PolarHBondContact O-N 3.39Å; L23-C26 WeakPolarHBondContact O-CB 3.27Å; L23-C26 PolarHBondContact O-N 3.41Å; L23-V27 WeakPolarHBondContact O-CG2 3.42Å; L23-V27 PolarHBondContact O-N 3.24Å; L23-F46 HydrophobicContact CD2-CZ 4.06Å
24R86.8Confident84.8Confident189 Ų18995.7 Ų95.771%0.71347%0.467SS*.Hα-helixtrans-63.7-47.9177-162.2-174.4-145.5176.26.8111.2H20 E21 I22 C26 V27 V28H20-R24 WeakPolarHBondContact O-CB 3.49Å; H20-R24 PolarHBondContact O-N 3.42Å; E21-R24 WeakPolarHBondContact O-CB 3.47Å; E21-R24 PolarHBondContact O-N 3.29Å; E21-R24 VanDerWaalsContact O-N 3.16Å; I22-R24 VanDerWaalsContact C-N 3.34Å; I22-R24 PolarHBondContact O-N 3.4Å; R24-C26 VanDerWaalsContact C-N 3.3Å; R24-C26 PolarHBondContact O-N 3.02Å; R24-V27 PolarHBondContact O-N 3.15Å; R24-V28 VanDerWaalsContact O-CG2 3.31Å; R24-V28 WeakPolarHBondContact O-CG2 3.46Å; R24-V28 PolarHBondContact O-N 2.95Å
25D85.2Confident84.7Confident94 Ų9495.4 Ų95.450%0.50347%0.467SS..Hα-helixtrans-62.3-38.9175.8-98.613.9000111.4E21 I22 V28 N29 Y45E21-D25 PolarHBondContact O-N 2.9Å; I22-D25 PolarHBondContact O-N 3.23Å; D25-V28 PolarHBondContact O-N 3.11Å; D25-N29 VanDerWaalsContact O-CB 3.31Å; D25-N29 WeakPolarHBondContact O-CB 3.45Å; D25-N29 PolarHBondContact O-N 3.31Å; D25-N29 PolarHBondContact O-ND2 2.78Å; D25-Y45 WeakPolarHBondContact CB-OH 3.21Å
26C86.9Confident85Confident4 Ų495.6 Ų95.63%0.02748%0.484CS..Hα-helixtrans-59.3-48.7174.6-1730000111.7I22 L23 R24 N29 L30 L42 Y45 F46I22-C26 VanDerWaalsContact O-CB 3.27Å; I22-C26 WeakPolarHBondContact O-CB 3.4Å; I22-C26 PolarHBondContact O-N 3.29Å; L23-C26 WeakPolarHBondContact O-CB 3.27Å; L23-C26 PolarHBondContact O-N 3.41Å; R24-C26 VanDerWaalsContact C-N 3.3Å; R24-C26 PolarHBondContact O-N 3.02Å; C26-N29 PolarHBondContact O-N 3.26Å; C26-L30 WeakPolarHBondContact O-CB 3.31Å; C26-L30 PolarHBondContact O-N 3.01Å; C26-L42 WeakPolarHBondContact SG-CD2 3.37Å; C26-Y45 HydrophobicContact CB-CD1 3.87Å; C26-Y45 HydrophobicContact CB-CE1 3.44Å; C26-Y45 VanDerWaalsContact CB-CE1 3.44Å; C26-Y45 PolarHBondContact N-OH 2.71Å; C26-F46 HydrophobicContact CB-CZ 4.26Å
27V87.6Confident85.1Confident90 Ų9092.5 Ų92.555%0.54547%0.473SS..Hα-helixtrans-64.8-44.6179.2171.60000111.1L23 R24 N29 L30 C31L23-V27 WeakPolarHBondContact O-CG2 3.42Å; L23-V27 PolarHBondContact O-N 3.24Å; R24-V27 PolarHBondContact O-N 3.15Å; V27-N29 VanDerWaalsContact C-N 3.3Å; V27-N29 PolarHBondContact O-N 3.3Å; V27-L30 PolarHBondContact O-N 3.41Å; V27-L30 VanDerWaalsContact O-N 3.16Å; V27-C31 PolarHBondContact O-N 3.06Å; V27-C31 PolarHBondContact O-SG 3.45Å; V27-C31 VanDerWaalsContact O-SG 3.38Å
28V85.6Confident85.2Confident71 Ų7191.5 Ų91.543%0.4347%0.473SS..Hα-helixtrans-57.6-46.3175.3169.60000110.1R24 D25 L30 C31 L32R24-V28 VanDerWaalsContact O-CG2 3.31Å; R24-V28 WeakPolarHBondContact O-CG2 3.46Å; R24-V28 PolarHBondContact O-N 2.95Å; D25-V28 PolarHBondContact O-N 3.11Å; V28-L30 VanDerWaalsContact C-N 3.35Å; V28-L30 PolarHBondContact O-N 3.4Å; V28-C31 PolarHBondContact O-N 2.91Å; V28-L32 HydrophobicContact CG1-CD1 3.61Å; V28-L32 HydrophobicContact CG1-CG 4.23Å; V28-L32 WeakPolarHBondContact O-CB 3.11Å; V28-L32 WeakPolarHBondContact O-CG 3.26Å; V28-L32 PolarHBondContact O-N 3.03Å
29N83.8Confident85.3Confident44 Ų4492.5 Ų92.524%0.23548%0.477CS..Hα-helixtrans-64.2-38177.5-83.9-68.7000112.7D25 C26 V27 L32 H33 F41 Y45D25-N29 VanDerWaalsContact O-CB 3.31Å; D25-N29 WeakPolarHBondContact O-CB 3.45Å; D25-N29 PolarHBondContact O-N 3.31Å; D25-N29 PolarHBondContact O-ND2 2.78Å; C26-N29 PolarHBondContact O-N 3.26Å; V27-N29 VanDerWaalsContact C-N 3.3Å; V27-N29 PolarHBondContact O-N 3.3Å; N29-L32 PolarHBondContact O-N 3.44Å; N29-H33 WeakPolarHBondContact O-CB 3.36Å; N29-H33 PolarHBondContact O-N 2.99Å; N29-H33 PolarHBondContact O-ND1 3.13Å; N29-H33 PolarHBondContact OD1-CE1 3.15Å; N29-H33 VanDerWaalsContact OD1-CE1 3.3Å; N29-F41 HydrophobicContact CB-CE1 4.25Å; N29-F41 HydrophobicContact CB-CZ 3.93Å; N29-Y45 HydrophobicContact CB-CE2 4.49Å
30L87.1Confident85.3Confident50 Ų5092.7 Ų92.726%0.26248%0.484SS..Hα-helixtrans-67.1-40.5178.1-152133.9000111.6C26 V27 V28 R34 P38 F41 L42C26-L30 WeakPolarHBondContact O-CB 3.31Å; C26-L30 PolarHBondContact O-N 3.01Å; V27-L30 PolarHBondContact O-N 3.41Å; V27-L30 VanDerWaalsContact O-N 3.16Å; V28-L30 VanDerWaalsContact C-N 3.35Å; V28-L30 PolarHBondContact O-N 3.4Å; L30-R34 PolarHBondContact O-N 3.31Å; L30-P38 HydrophobicContact CD1-CB 4.29Å; L30-P38 HydrophobicContact CD2-CB 4.26Å; L30-F41 HydrophobicContact CB-CE1 4.45Å; L30-F41 HydrophobicContact CD1-CD1 4Å; L30-F41 HydrophobicContact CD1-CE1 4.48Å; L30-F41 HydrophobicContact CG-CD1 4.38Å; L30-L42 HydrophobicContact CD1-CD1 4.14Å; L30-L42 HydrophobicContact CD1-CD2 3.47Å; L30-L42 VanDerWaalsContact CD1-CD2 3.47Å; L30-L42 HydrophobicContact CD1-CG 3.65Å
31C85.8Confident85.5Confident82 Ų8287.7 Ų87.755%0.55446%0.46SS*.Hα-helixtrans-69.2-37175-68.70000113V27 V28 R34V27-C31 PolarHBondContact O-N 3.06Å; V27-C31 PolarHBondContact O-SG 3.45Å; V27-C31 VanDerWaalsContact O-SG 3.38Å; V28-C31 PolarHBondContact O-N 2.91Å; C31-R34 WeakPolarHBondContact O-CG 3.43Å
32L81.3Confident85.6Confident128 Ų12884.5 Ų84.567%0.6745%0.446SS*.Hα-helixtrans-73.2-41.4179.6-75.1173000112.5V28 N29V28-L32 HydrophobicContact CG1-CD1 3.61Å; V28-L32 HydrophobicContact CG1-CG 4.23Å; V28-L32 WeakPolarHBondContact O-CB 3.11Å; V28-L32 WeakPolarHBondContact O-CG 3.26Å; V28-L32 PolarHBondContact O-N 3.03Å; N29-L32 PolarHBondContact O-N 3.44Å
33H82.4Confident85.5Confident106 Ų10690.5 Ų90.549%0.49147%0.466SS..Hα-helixtrans-91.1-22.9-173.9-64.992.3000113.7N29 P35 F41N29-H33 WeakPolarHBondContact O-CB 3.36Å; N29-H33 PolarHBondContact O-N 2.99Å; N29-H33 PolarHBondContact O-ND1 3.13Å; N29-H33 PolarHBondContact OD1-CE1 3.15Å; N29-H33 VanDerWaalsContact OD1-CE1 3.3Å; H33-P35 VanDerWaalsContact C-N 3.3Å; H33-F41 HydrophobicContact CB-CE2 4.46Å
34R83.2Confident85.4Confident212 Ų21289 Ų8980%0.846%0.457SS*.  trans39.755.1-176-63.4-173.9179.1163.6-2.4112.7L30 C31 S36L30-R34 PolarHBondContact O-N 3.31Å; C31-R34 WeakPolarHBondContact O-CG 3.43Å; R34-S36 PolarHBondContact O-N 3.03Å
35P82.3Confident85.3Confident35 Ų3581.9 Ų81.923%0.22743%0.43CS..  trans-59.5141.2-177.727.9-36.3000110.3H33 N37 F41H33-P35 VanDerWaalsContact C-N 3.3Å; P35-N37 PolarHBondContact O-N 3.44Å; P35-F41 HydrophobicContact CB-CB 3.9Å; P35-F41 HydrophobicContact CB-CD2 4.15Å; P35-F41 HydrophobicContact CB-CG 4.18Å; P35-F41 HydrophobicContact CG-CB 3.59Å; P35-F41 HydrophobicContact CG-CD1 4.24Å; P35-F41 HydrophobicContact CG-CD2 3.98Å; P35-F41 HydrophobicContact CG-CG 3.66Å
36S86.6Confident85.4Confident134 Ų13481.1 Ų81.194%0.93742%0.423SS*.SBendtrans-61.2-25.5177.545.70000113.2R34R34-S36 PolarHBondContact O-N 3.03Å
37N86.3Confident85.4Confident88 Ų8886.6 Ų86.647%0.47145%0.448SS..  trans-124.295.1169.9-172.6-22.3000110.2P35 I39 A40 F41P35-N37 PolarHBondContact O-N 3.44Å; N37-I39 VanDerWaalsContact C-N 3.28Å; N37-I39 PolarHBondContact O-N 3.11Å; N37-I39 PolarHBondContact OD1-N 3.16Å; N37-A40 HydrophobicContact CB-CB 4.12Å; N37-A40 PolarHBondContact O-N 3.44Å; N37-A40 PolarHBondContact OD1-N 3.02Å; N37-A40 VanDerWaalsContact OD1-N 3.11Å; N37-F41 PolarHBondContact O-N 2.94Å
38P86.5Confident85Confident57 Ų5787.2 Ų87.237%0.3744%0.443SS..Hα-helixtrans-66-28.7-17824.9-32.9000113L30 F41 L42L30-P38 HydrophobicContact CD1-CB 4.29Å; L30-P38 HydrophobicContact CD2-CB 4.26Å; P38-F41 PolarHBondContact O-N 2.88Å; P38-L42 WeakPolarHBondContact O-CB 3.08Å; P38-L42 WeakPolarHBondContact O-CG 3.35Å; P38-L42 PolarHBondContact O-N 3.46Å
39I85.9Confident84.7Confident108 Ų10886.2 Ų86.255%0.55444%0.435SS*.Hα-helixtrans-70.4-44.2179.9-60.8178.2000110.9N37 F41 L42 R43N37-I39 VanDerWaalsContact C-N 3.28Å; N37-I39 PolarHBondContact O-N 3.11Å; N37-I39 PolarHBondContact OD1-N 3.16Å; I39-F41 VanDerWaalsContact C-N 3.31Å; I39-F41 PolarHBondContact O-N 2.86Å; I39-L42 PolarHBondContact O-N 3.49Å; I39-R43 PolarHBondContact O-N 3.26Å
40A85.4Confident84.3Confident49 Ų4991.1 Ų91.141%0.40546%0.456SS..Hα-helixtrans-62.5-41.6175.600000111.1N37 R43 E44N37-A40 HydrophobicContact CB-CB 4.12Å; N37-A40 PolarHBondContact O-N 3.44Å; N37-A40 PolarHBondContact OD1-N 3.02Å; N37-A40 VanDerWaalsContact OD1-N 3.11Å; A40-R43 PolarHBondContact O-N 3.42Å; A40-E44 PolarHBondContact O-N 3.45Å
41F87.8Confident83.7Confident41 Ų4193.5 Ų93.518%0.1847%0.473CS..Hα-helixtrans-59.3-46.9174.5178.4-89.5000112.3N29 L30 H33 P35 N37 P38 I39 R43 E44 Y45N29-F41 HydrophobicContact CB-CE1 4.25Å; N29-F41 HydrophobicContact CB-CZ 3.93Å; L30-F41 HydrophobicContact CB-CE1 4.45Å; L30-F41 HydrophobicContact CD1-CD1 4Å; L30-F41 HydrophobicContact CD1-CE1 4.48Å; L30-F41 HydrophobicContact CG-CD1 4.38Å; H33-F41 HydrophobicContact CB-CE2 4.46Å; P35-F41 HydrophobicContact CB-CB 3.9Å; P35-F41 HydrophobicContact CB-CD2 4.15Å; P35-F41 HydrophobicContact CB-CG 4.18Å; P35-F41 HydrophobicContact CG-CB 3.59Å; P35-F41 HydrophobicContact CG-CD1 4.24Å; P35-F41 HydrophobicContact CG-CD2 3.98Å; P35-F41 HydrophobicContact CG-CG 3.66Å; N37-F41 PolarHBondContact O-N 2.94Å; P38-F41 PolarHBondContact O-N 2.88Å; I39-F41 VanDerWaalsContact C-N 3.31Å; I39-F41 PolarHBondContact O-N 2.86Å; F41-R43 VanDerWaalsContact C-N 3.34Å; F41-R43 PolarHBondContact O-N 2.98Å; F41-E44 PolarHBondContact O-N 3.29Å; F41-Y45 HydrophobicContact CZ-CD2 4.49Å; F41-Y45 VanDerWaalsContact O-CB 3.26Å; F41-Y45 WeakPolarHBondContact O-CB 3.21Å; F41-Y45 PolarHBondContact O-N 3.38Å
42L86.1Confident82.7Confident59 Ų5993.4 Ų93.431%0.30947%0.473SS..Hα-helixtrans-60-44.9177.4-73.1172.5000111.3C26 L30 P38 I39 E44 Y45 F46C26-L42 WeakPolarHBondContact SG-CD2 3.37Å; L30-L42 HydrophobicContact CD1-CD1 4.14Å; L30-L42 HydrophobicContact CD1-CD2 3.47Å; L30-L42 VanDerWaalsContact CD1-CD2 3.47Å; L30-L42 HydrophobicContact CD1-CG 3.65Å; P38-L42 WeakPolarHBondContact O-CB 3.08Å; P38-L42 WeakPolarHBondContact O-CG 3.35Å; P38-L42 PolarHBondContact O-N 3.46Å; I39-L42 PolarHBondContact O-N 3.49Å; L42-E44 PolarHBondContact O-N 2.86Å; L42-Y45 PolarHBondContact O-N 3.01Å; L42-F46 HydrophobicContact CB-CE2 4.47Å; L42-F46 HydrophobicContact CD2-CE2 4.1Å; L42-F46 WeakPolarHBondContact O-CD2 3.49Å; L42-F46 PolarHBondContact O-N 3.21Å
43R86.8Confident81.7Confident174 Ų17492.3 Ų92.366%0.65747%0.467SS*.Hα-helixtrans-57.5-50.8177.1-119-175.9-98.6-116.60.8111.6I39 A40 F41 Y45 F46 E47I39-R43 PolarHBondContact O-N 3.26Å; A40-R43 PolarHBondContact O-N 3.42Å; F41-R43 VanDerWaalsContact C-N 3.34Å; F41-R43 PolarHBondContact O-N 2.98Å; R43-Y45 VanDerWaalsContact C-N 3.33Å; R43-Y45 PolarHBondContact O-N 3.47Å; R43-F46 PolarHBondContact O-N 3.08Å; R43-E47 WeakPolarHBondContact O-CB 3.31Å; R43-E47 WeakPolarHBondContact O-CG 3.42Å; R43-E47 PolarHBondContact O-N 2.72Å
44E84.6Confident80.2Confident55 Ų5589.5 Ų89.526%0.25747%0.467SS..Hα-helixtrans-66.9-34.8179.9-161.4-169.9159.900112.1A40 F41 L42 K48 T187A40-E44 PolarHBondContact O-N 3.45Å; F41-E44 PolarHBondContact O-N 3.29Å; L42-E44 PolarHBondContact O-N 2.86Å; E44-K48 WeakPolarHBondContact O-CB 3.2Å; E44-K48 WeakPolarHBondContact O-CG 3.32Å; E44-K48 PolarHBondContact O-N 3.01Å; E44-K48 VanDerWaalsContact OE1-CE 3.31Å; E44-K48 WeakPolarHBondContact OE1-CE 3.37Å; E44-K48 IonicContact OE1-NZ 3.79Å; E44-K48 PolarHBondContact OE1-NZ 3.28Å; E44-T187 WeakPolarHBondContact OE1-CG2 3.4Å; E44-T187 PolarHBondContact OE1-OG1 3.5Å; E44-T187 WeakPolarHBondContact OE2-CG2 3.34Å
45Y85.2Confident78.4Confident39 Ų3987.6 Ų87.615%0.15346%0.464CS..Hα-helixtrans-63.7-47.7176.9-177.8-93.4000111.3D25 C26 N29 F41 L42 R43 K48 L49D25-Y45 WeakPolarHBondContact CB-OH 3.21Å; C26-Y45 HydrophobicContact CB-CD1 3.87Å; C26-Y45 HydrophobicContact CB-CE1 3.44Å; C26-Y45 VanDerWaalsContact CB-CE1 3.44Å; C26-Y45 PolarHBondContact N-OH 2.71Å; N29-Y45 HydrophobicContact CB-CE2 4.49Å; F41-Y45 HydrophobicContact CZ-CD2 4.49Å; F41-Y45 VanDerWaalsContact O-CB 3.26Å; F41-Y45 WeakPolarHBondContact O-CB 3.21Å; F41-Y45 PolarHBondContact O-N 3.38Å; L42-Y45 PolarHBondContact O-N 3.01Å; R43-Y45 VanDerWaalsContact C-N 3.33Å; R43-Y45 PolarHBondContact O-N 3.47Å; Y45-K48 PolarHBondContact O-N 2.96Å; Y45-L49 HydrophobicContact CD1-CD1 3.81Å; Y45-L49 HydrophobicContact CE1-CD1 3.38Å; Y45-L49 HydrophobicContact CE1-CG 4.42Å; Y45-L49 PolarHBondContact O-N 3.35Å
46F86.7Confident76.3Confident78 Ų7894.5 Ų94.534%0.34249%0.487SS..Hα-helixtrans-73.4-35.1178.7-69.2-62.9000113I22 L23 C26 L42 R43 K48 L49 E50I22-F46 HydrophobicContact CG2-CD1 4.5Å; I22-F46 HydrophobicContact CG2-CE1 3.95Å; L23-F46 HydrophobicContact CD2-CZ 4.06Å; C26-F46 HydrophobicContact CB-CZ 4.26Å; L42-F46 HydrophobicContact CB-CE2 4.47Å; L42-F46 HydrophobicContact CD2-CE2 4.1Å; L42-F46 WeakPolarHBondContact O-CD2 3.49Å; L42-F46 PolarHBondContact O-N 3.21Å; R43-F46 PolarHBondContact O-N 3.08Å; F46-K48 VanDerWaalsContact C-N 3.32Å; F46-K48 PolarHBondContact O-N 3.2Å; F46-L49 HydrophobicContact CD1-CD1 3.91Å; F46-L49 HydrophobicContact CE1-CD1 4.36Å; F46-L49 WeakPolarHBondContact O-CB 3.48Å; F46-L49 PolarHBondContact O-N 2.9Å; F46-L49 VanDerWaalsContact O-N 3.15Å; F46-E50 PolarHBondContact O-N 3.32Å
47E86.1Confident74.2Confident118 Ų11893.9 Ų93.955%0.55148%0.478SS*.Hα-helixtrans-59.6-41.4171.2-84.1178.8171.800111.7R43 L49 E50 V51R43-E47 WeakPolarHBondContact O-CB 3.31Å; R43-E47 WeakPolarHBondContact O-CG 3.42Å; R43-E47 PolarHBondContact O-N 2.72Å; E47-L49 VanDerWaalsContact C-N 3.28Å; E47-L49 PolarHBondContact O-N 2.85Å; E47-E50 PolarHBondContact O-N 3.34Å; E47-V51 WeakPolarHBondContact O-CG2 3.31Å; E47-V51 PolarHBondContact O-N 3.19Å; E47-V51 VanDerWaalsContact O-N 3.07Å
48K80.2Confident71.9Confident103 Ų10398.8 Ų98.845%0.44850%0.498SS..Hα-helixtrans-63.3-36176-78.9174.2-174.1162.90112.4E44 Y45 F46 V51 C52 T187E44-K48 WeakPolarHBondContact O-CB 3.2Å; E44-K48 WeakPolarHBondContact O-CG 3.32Å; E44-K48 PolarHBondContact O-N 3.01Å; E44-K48 VanDerWaalsContact OE1-CE 3.31Å; E44-K48 WeakPolarHBondContact OE1-CE 3.37Å; E44-K48 IonicContact OE1-NZ 3.79Å; E44-K48 PolarHBondContact OE1-NZ 3.28Å; Y45-K48 PolarHBondContact O-N 2.96Å; F46-K48 VanDerWaalsContact C-N 3.32Å; F46-K48 PolarHBondContact O-N 3.2Å; K48-V51 PolarHBondContact O-N 3.45Å; K48-C52 PolarHBondContact O-N 3.46Å; K48-C52 PolarHBondContact O-SG 3.45Å; K48-T187 PolarHBondContact NZ-OG1 3.35Å
49L78.4Confident69.2Low51 Ų5199.8 Ų99.827%0.26751%0.511SS..Hα-helixtrans-67.3-40.1175.9-75.2164.4000111.8I22 Y45 F46 E47 V51 C52 N53I22-L49 HydrophobicContact CG2-CD1 3.45Å; I22-L49 VanDerWaalsContact CG2-CD1 3.45Å; Y45-L49 HydrophobicContact CD1-CD1 3.81Å; Y45-L49 HydrophobicContact CE1-CD1 3.38Å; Y45-L49 HydrophobicContact CE1-CG 4.42Å; Y45-L49 PolarHBondContact O-N 3.35Å; F46-L49 HydrophobicContact CD1-CD1 3.91Å; F46-L49 HydrophobicContact CE1-CD1 4.36Å; F46-L49 WeakPolarHBondContact O-CB 3.48Å; F46-L49 PolarHBondContact O-N 2.9Å; F46-L49 VanDerWaalsContact O-N 3.15Å; E47-L49 VanDerWaalsContact C-N 3.28Å; E47-L49 PolarHBondContact O-N 2.85Å; L49-V51 VanDerWaalsContact C-N 3.35Å; L49-V51 PolarHBondContact O-N 3.11Å; L49-C52 PolarHBondContact O-N 3.47Å; L49-N53 PolarHBondContact O-N 3.01Å
50E76.1Confident66.5Low146 Ų14699.5 Ų99.568%0.68252%0.519SS*.Hα-helixtrans-60.8-43.4173.9-74-174.4168.100111.7F46 E47 C52 N53 G54F46-E50 PolarHBondContact O-N 3.32Å; E47-E50 PolarHBondContact O-N 3.34Å; E50-C52 VanDerWaalsContact C-N 3.3Å; E50-C52 PolarHBondContact O-N 2.92Å; E50-N53 PolarHBondContact O-N 3.5Å; E50-G54 PolarHBondContact O-N 2.8Å
51V73.6Confident63.8Low100 Ų100104 Ų10461%0.60654%0.542SS*.Hα-helixtrans-65-34.3177.51760000112E47 K48 L49E47-V51 WeakPolarHBondContact O-CG2 3.31Å; E47-V51 PolarHBondContact O-N 3.19Å; E47-V51 VanDerWaalsContact O-N 3.07Å; K48-V51 PolarHBondContact O-N 3.45Å; L49-V51 VanDerWaalsContact C-N 3.35Å; L49-V51 PolarHBondContact O-N 3.11Å
52C65.7Low61Low81 Ų81106.6 Ų106.655%0.54757%0.565SS.*Hα-helixtrans-71.3-37.2176.5-78.30000112.6K48 L49 E50K48-C52 PolarHBondContact O-N 3.46Å; K48-C52 PolarHBondContact O-SG 3.45Å; L49-C52 PolarHBondContact O-N 3.47Å; E50-C52 VanDerWaalsContact C-N 3.3Å; E50-C52 PolarHBondContact O-N 2.92Å
53N60.8Low58.2Low104 Ų104113.4 Ų113.456%0.55659%0.594SS**Hα-helixtrans-79.7-29.8177.7-89.210.9000113.5L49 E50 K55 Y56L49-N53 PolarHBondContact O-N 3.01Å; E50-N53 PolarHBondContact O-N 3.5Å; N53-K55 PolarHBondContact O-N 2.88Å; N53-K55 VanDerWaalsContact O-N 3.15Å; N53-Y56 PolarHBondContact O-N 3.45Å; N53-Y56 VanDerWaalsContact O-N 3.14Å
54G50.6Low55.5Low47 Ų47110.4 Ų110.449%0.48560%0.595SS.*Hα-helixtrans-61.7-21.4178.700000114.5E50 Y56 T57E50-G54 PolarHBondContact O-N 2.8Å; G54-Y56 VanDerWaalsContact C-N 3.29Å; G54-Y56 PolarHBondContact O-N 2.93Å; G54-T57 PolarHBondContact O-OG1 2.89Å
55K44.2Very low52.8Low172 Ų172113.2 Ų113.275%0.74862%0.618SS**THydrogen-bonded Turntrans-77.5-8.6177.5-71.7-176.3177.8179.20114.6N53N53-K55 PolarHBondContact O-N 2.88Å; N53-K55 VanDerWaalsContact O-N 3.15Å
56Y39.9Very low50Low181 Ų181114.8 Ų114.871%0.7165%0.647SS**THydrogen-bonded Turntrans-98.8-6.5-176.1-77.4-79.4000115N53 G54N53-Y56 PolarHBondContact O-N 3.45Å; N53-Y56 VanDerWaalsContact O-N 3.14Å; G54-Y56 VanDerWaalsContact C-N 3.29Å; G54-Y56 PolarHBondContact O-N 2.93Å
57T42.1Very low47.3Very low121 Ų121120.1 Ų120.174%0.74267%0.67SS**THydrogen-bonded Turntrans-89.4-7.4-173.642.90000115.4G54G54-T57 PolarHBondContact O-OG1 2.89Å
58E37.2Very low44.5Very low191 Ų191118 Ų11889%0.89367%0.673SS**THydrogen-bonded Turntrans-101.42.9177-73.8-171.5160.500115.1
59A30.6Very low42.1Very low78 Ų78122.8 Ų122.865%0.64569%0.694SS**  trans-110.673.9177.400000111.3
60S28.7Very low39.7Very low102 Ų102127.5 Ų127.571%0.71371%0.714SS**  trans-70.2134.2164.1-2.90000109.3
61T28.1Very low37.5Very low144 Ų144130.1 Ų130.188%0.88372%0.723SS**SBendtrans6864.5165.159.50000117.8
62S29.9Very low35.3Very low95 Ų95131 Ų13166%0.66473%0.725SS**  trans-155.9129.9143.160.20000110.8V64S62-V64 PolarHBondContact O-N 3.32Å
63H27.2Very low33.5Very low201 Ų201135.4 Ų135.493%0.93174%0.742SS**  trans-50.9115.3173-144.349.8000110.3
64V30.8Very low31.7Very low111 Ų111139.4 Ų139.467%0.67376%0.757SS**  trans-126.5122.9170.2-177.70000107.6S62S62-V64 PolarHBondContact O-N 3.32Å
65P27.4Very low30.7Very low114 Ų114144.9 Ų144.974%0.7477%0.774SS**  trans-73.5149.1-177.824.5-22.6000111.2
66G26.3Very low30Very low73 Ų73141.2 Ų141.275%0.75377%0.77SS**  trans-52.4135.6-176.700000113.7A68G66-A68 VanDerWaalsContact C-N 3.29Å; G66-A68 PolarHBondContact O-N 3.01Å
67F29.6Very low29.4Very low190 Ų190142.2 Ų142.283%0.83378%0.782SS**  trans-68.989.6164.5-99.4-93.2000109F69F67-F69 PolarHBondContact O-N 3.3Å
68A28.3Very low28.9Very low74 Ų74143.4 Ų143.461%0.61278%0.784SS**  trans-72.8110.2160.900000108.2G66 H70G66-A68 VanDerWaalsContact C-N 3.29Å; G66-A68 PolarHBondContact O-N 3.01Å; A68-H70 PolarHBondContact O-N 2.74Å
69F28.5Very low28.5Very low203 Ų203138.8 Ų138.889%0.8977%0.772SS**  trans-67.992.7159.2-106.8-86.9000107.4F67 K71F67-F69 PolarHBondContact O-N 3.3Å; F69-K71 PolarHBondContact O-N 3.24Å
70H27.8Very low28.6Very low149 Ų149144.2 Ų144.269%0.6978%0.784SS**  trans-58.3104.1167-97.7-85000109A68 N72A68-H70 PolarHBondContact O-N 2.74Å; H70-N72 PolarHBondContact ND1-ND2 3.43Å; H70-N72 VanDerWaalsContact ND1-ND2 3.13Å; H70-N72 PolarHBondContact O-N 3.15Å
71K29.5Very low28.7Very low202 Ų202145.7 Ų145.788%0.87879%0.789SS**  trans-70.499.6143.3-86.6-179.5174.3177.30106.3F69F69-K71 PolarHBondContact O-N 3.24Å
72N27.5Very low28.8Very low119 Ų119146.8 Ų146.864%0.63679%0.788SS**  trans-14197.6158.2-87.3-22.9000106.4H70H70-N72 PolarHBondContact ND1-ND2 3.43Å; H70-N72 VanDerWaalsContact ND1-ND2 3.13Å; H70-N72 PolarHBondContact O-N 3.15Å
73L27.7Very low28.7Very low173 Ų173147.5 Ų147.591%0.90679%0.791SS**  trans-131.769.7157.4-14487.6000106
74E24Very low29Very low188 Ų188144.2 Ų144.288%0.87979%0.785SS**  trans-107.3113.6155.6-84.2-176.8166.400105.7
75L29.5Very low29Very low161 Ų161143.7 Ų143.784%0.84379%0.786SS**  trans-136.2120.4164.7-96.5163.1000107.6
76S28.8Very low29Very low95 Ų95146.2 Ų146.266%0.66479%0.793SS**  trans62.790.5159.556.70000117.6
77E27.4Very low29.3Very low202 Ų202149.2 Ų149.294%0.94480%0.797SS**  trans-69.3109.8138-71.6-175.1146.200108.1
78D32.4Very low29.3Very low147 Ų147145.7 Ų145.779%0.78680%0.796SS**  trans-97.1128.9164.4-93.3-33000109.9
79S29.7Very low29.5Very low93 Ų93147.4 Ų147.465%0.6580%0.804SS**  trans-56.8128179.852.60000114.2
80H32.7Very low29.6Very low193 Ų193149.3 Ų149.389%0.89481%0.805SS**  trans-146.590.6144-84.3-56.7000110.6
81T29.5Very low29.7Very low133 Ų133148 Ų14882%0.81681%0.809SS**  trans-62.7124.6158.221.40000110.8
82L30.8Very low29.8Very low166 Ų166148.1 Ų148.187%0.86981%0.81SS**  trans-122.1130.7154.2-74.1176.4000108.4
83P27.6Very low29.8Very low110 Ų110150.8 Ų150.871%0.71482%0.819SS**  trans-96.9-179.7-179.332-20.9000112.6
84V32.5Very low30.1Very low133 Ų133150.7 Ų150.781%0.80681%0.813SS**  trans87.8125160.7-160.80000113.5
85S32.6Very low30.3Very low100 Ų100149.1 Ų149.170%0.69981%0.806SS**  cis-167.71453.9390000108.9
86N26Very low30.4Very low166 Ų166148.4 Ų148.489%0.88880%0.803SS**  trans-71.1136.6162.8-86.1-26000111.2
87T33Very low30.3Very low137 Ų137153.3 Ų153.384%0.8481%0.812SS**  trans-139.2114.5147.852.50000109.7
88S28.8Very low30.5Very low115 Ų115149.3 Ų149.380%0.80481%0.807SS**  trans-82.7139.9166.967.20000110.5
89S33.9Very low30.3Very low111 Ų111151.9 Ų151.978%0.77681%0.814SS**  trans-168.6100.414734.20000111.8
90R30.3Very low30.4Very low243 Ų243151.1 Ų151.192%0.91782%0.82SS**  trans40.6140.8136.6-66.9-177.2177.6-172.1-1.4122
91P30.6Very low30.1Very low120 Ų120148.2 Ų148.278%0.77982%0.822SS**  trans-85.6158.7172.636.9-32000112.3
92F30.7Very low30Very low205 Ų205144.9 Ų144.990%0.89981%0.814SS**  trans-115.3117.3168.3-119.5-88.6000109.3
93E28.1Very low29.7Very low175 Ų175143 Ų14382%0.81881%0.813SS**  trans-84.3138.7160.6-67.5177.8148.400108.6
94H33.2Very low29.7Very low172 Ų172147.6 Ų147.680%0.79682%0.822SS**  trans-163.2137.8135.3-120.4-74.5000112
95E27.9Very low29.4Very low155 Ų155144.4 Ų144.472%0.72482%0.816SS**  trans-45.4155.1170.2-55.7-176.4124.100113.1
96D31.5Very low29.2Very low145 Ų145143.8 Ų143.878%0.77581%0.808SS**  -172.1158.871-114.5-39000114.2
97K28.4Very low29.3Very low198 Ų198143.1 Ų143.186%0.86180%0.804SS**  trans-73.3145.4-177.8-64.9163.8177.5164.30113.3
98S31.5Very low29.2Very low119 Ų119140.8 Ų140.883%0.83279%0.785SS**  trans-159128.6138.966.30000113
99H28.2Very low29.3Very low201 Ų201140 Ų14093%0.93178%0.778SS**  trans-62.9140.9171.7-73-71.7000112.8
100G30.2Very low28.9Very low76 Ų76140.3 Ų140.378%0.78478%0.779SS**  trans-157.599.3168.500000111.1
101S26.9Very low29.1Very low132 Ų132133.6 Ų133.692%0.92377%0.765SS**  trans-66.6126.6169.2171.60000109.7
102G28.3Very low28.8Very low64 Ų64138.8 Ų138.866%0.6677%0.769SS**  trans-160.3101.9175.600000112.1F104G102-F104 PolarHBondContact O-N 3.18Å
103C24.5Very low28.6Very low125 Ų125134 Ų13485%0.84576%0.761SS**  trans-59.8121.9165.3-60.60000109.7
104F27.8Very low28.7Very low207 Ų207134.3 Ų134.391%0.90876%0.763SS**  trans-141.9133164-100.8-84.7000112G102G102-F104 PolarHBondContact O-N 3.18Å
105G26.1Very low28.3Very low66 Ų66133 Ų13368%0.6876%0.762SS**  trans-65147.7-174.200000113.5L107G105-L107 PolarHBondContact O-N 3.21Å
106V27.3Very low28.4Very low87 Ų87131 Ų13153%0.52776%0.764SS.*  trans-70.1107.9176.3179.70000109I108V106-I108 PolarHBondContact O-N 3.36Å
107L28.3Very low28.1Very low153 Ų153131.4 Ų131.480%0.80177%0.766SS**  trans-77.5112.7165.7-104.8134.7000108.6G105 P109G105-L107 PolarHBondContact O-N 3.21Å; L107-P109 WeakPolarHBondContact O-CD 3.19Å
108I31.2Very low28.3Very low88 Ų88130.5 Ų130.545%0.45176%0.764SS.*  trans-68.6121.1165.3-60.8168.6000107.2V106 S110 V411V106-I108 PolarHBondContact O-N 3.36Å; I108-S110 PolarHBondContact O-N 2.9Å; I108-S110 VanDerWaalsContact O-N 3.07Å; I108-V411 HydrophobicContact CD1-CB 4.07Å; I108-V411 HydrophobicContact CD1-CG2 3.69Å
109P30.4Very low28.2Very low99 Ų99130.5 Ų130.564%0.64376%0.764SS**  trans-69.3109.4172.1-9.925.5000108.6L107 V111L107-P109 WeakPolarHBondContact O-CD 3.19Å; P109-V111 PolarHBondContact O-N 3.4Å; P109-V111 VanDerWaalsContact O-N 3.07Å
110S26.7Very low28.2Very low116 Ų116126.8 Ų126.881%0.81176%0.761SS**  trans-69.199.6164.8-1760000108.1I108 R112I108-S110 PolarHBondContact O-N 2.9Å; I108-S110 VanDerWaalsContact O-N 3.07Å; S110-R112 PolarHBondContact O-N 3.37Å
111V32.7Very low28.2Very low103 Ų103126.6 Ų126.662%0.62476%0.759SS**  trans-79.5104177.1-173.50000108.7P109 S113P109-V111 PolarHBondContact O-N 3.4Å; P109-V111 VanDerWaalsContact O-N 3.07Å; V111-S113 PolarHBondContact O-N 3.45Å
112R25.8Very low28.1Very low228 Ų228128.8 Ų128.886%0.8676%0.757SS**  trans-74.5119.5171.5-141.3175.9-172.1-178.51.8108.2S110 Q114S110-R112 PolarHBondContact O-N 3.37Å; R112-Q114 PolarHBondContact O-N 3.38Å; R112-Q114 VanDerWaalsContact O-N 3.12Å
113S26.7Very low28.3Very low105 Ų105132.8 Ų132.873%0.73476%0.763SS**  trans-46.5113.2174.1179.30000111.5V111V111-S113 PolarHBondContact O-N 3.45Å
114Q29.3Very low28.4Very low182 Ų182134.3 Ų134.385%0.8576%0.763SS**  trans-102.5120.9164.3-73.5-172.8-12.200108.4R112 C116R112-Q114 PolarHBondContact O-N 3.38Å; R112-Q114 VanDerWaalsContact O-N 3.12Å; Q114-C116 PolarHBondContact O-N 2.92Å
115N25.3Very low28.6Very low144 Ų144131.6 Ų131.677%0.7775%0.753SS**  trans-66.5126.2173.2-71-17.1000109.2
116C29.4Very low28.7Very low114 Ų114140.6 Ų140.677%0.7777%0.766SS**  trans-101.6105.4163-69.70000108.6Q114Q114-C116 PolarHBondContact O-N 2.92Å
117D25.3Very low28.9Very low153 Ų153143.7 Ų143.782%0.81877%0.769SS**  trans-66.8130.6162.9-71.8-42000109
118H33.1Very low28.9Very low179 Ų179141.1 Ų141.183%0.82976%0.764SS**  trans-118.6108.8168.4-90.812.8000109.9
119S29.5Very low29.1Very low119 Ų119139.9 Ų139.983%0.83276%0.762SS**  trans-65.9135.9163.961.70000110.3
120S27.5Very low29.3Very low122 Ų122141.1 Ų141.185%0.85376%0.764SS**  trans-67.5127.3-178.6400000113
121G29.2Very low29.9Very low72 Ų72138.1 Ų138.174%0.74274%0.74SS**  trans-129.2101.2164.100000109N123G121-N123 PolarHBondContact O-N 3.16Å
122M26.7Very low30.1Very low178 Ų178139.3 Ų139.388%0.87774%0.743SS**  trans-68.4116.9177.9-62.5169.997.800109.5
123N31.7Very low30.9Very low148 Ų148134.1 Ų134.179%0.79173%0.733SS**  trans-127.9110.1160.7-95.2-20000109G121 H125G121-N123 PolarHBondContact O-N 3.16Å; N123-H125 PolarHBondContact O-N 3.04Å
124N27.2Very low31.8Very low157 Ų157132.4 Ų132.484%0.8472%0.715SS**  trans-70.198.4173.8-81.4-21.3000109.9
125H31.7Very low32.3Very low151 Ų151125.9 Ų125.970%0.69969%0.686SS**  trans-121.1124.1160.4-82.5-13.5000109.3N123 Y127N123-H125 PolarHBondContact O-N 3.04Å; H125-Y127 WeakPolarHBondContact O-CD2 3.42Å; H125-Y127 VanDerWaalsContact O-CE2 3.32Å; H125-Y127 WeakPolarHBondContact O-CE2 3.4Å; H125-Y127 PolarHBondContact O-N 2.82Å
126R27.7Very low32.7Very low255 Ų255122.4 Ų122.496%0.96267%0.671SS**  trans-53.9114.9176.3-84.3175.3169.7165.9-4.4108.9
127Y31.1Very low32.9Very low152 Ų152122 Ų12260%0.59666%0.661SS**  trans-86.8114.7174.2-70.8-83.5000109H125 C129 W358H125-Y127 WeakPolarHBondContact O-CD2 3.42Å; H125-Y127 VanDerWaalsContact O-CE2 3.32Å; H125-Y127 WeakPolarHBondContact O-CE2 3.4Å; H125-Y127 PolarHBondContact O-N 2.82Å; Y127-C129 PolarHBondContact O-N 2.94Å; Y127-W358 HydrophobicContact CD1-CH2 4.32Å; Y127-W358 HydrophobicContact CD1-CZ2 4.34Å; Y127-W358 HydrophobicContact CE1-CZ2 4.32Å
128S29.2Very low33.5Very low99 Ų99121.3 Ų121.369%0.69266%0.657SS**  trans-79.4102.2159.2-169.30000106.5
129C35.4Very low33.9Very low61 Ų61113.4 Ų113.441%0.41262%0.621SS.*  trans-85.9105.3166.845.10000106.9Y127 T131Y127-C129 PolarHBondContact O-N 2.94Å; C129-T131 VanDerWaalsContact C-N 3.29Å; C129-T131 PolarHBondContact O-N 3.42Å
130D34Very low34.4Very low125 Ų125114 Ų11467%0.66861%0.61SS**  trans-63.897.1166.6-65-26.8000107.3D132D130-D132 PolarHBondContact O-N 2.87Å
131T38.6Very low34.8Very low53 Ų53115.7 Ų115.733%0.32560%0.602SS.*  trans-80.111.6176.336.90000111.9C129 N133C129-T131 VanDerWaalsContact C-N 3.29Å; C129-T131 PolarHBondContact O-N 3.42Å; T131-N133 PolarHBondContact O-N 2.93Å
132D37.8Very low35.1Very low128 Ų128121.8 Ų121.868%0.68460%0.603SS**THydrogen-bonded Turntrans-75.1-2.5-173.1-70.8-17.7000114.7D130D130-D132 PolarHBondContact O-N 2.87Å
133N41.6Very low35.8Very low120 Ų120116.2 Ų116.264%0.64258%0.576SS**THydrogen-bonded Turntrans-103.111.4-179.8-75.3-34.2000115T131 I135T131-N133 PolarHBondContact O-N 2.93Å; N133-I135 PolarHBondContact O-N 3.23Å
134L47Very low36.1Very low68 Ų68114.8 Ų114.836%0.35657%0.573SS.*SBendtrans-70.7-9.7176.7-85.2152.5000113.7L331L134-L331 HydrophobicContact CD2-CB 4.49Å
135I39.1Very low36.4Very low46 Ų46114.9 Ų114.924%0.23657%0.568CS.*SBendtrans-134.5120.8173.4-59.5-177.9000106.9N133 N137 I139 I302N133-I135 PolarHBondContact O-N 3.23Å; I135-N137 PolarHBondContact O-N 2.93Å; I135-N137 VanDerWaalsContact O-N 3.13Å; I135-I139 HydrophobicContact CG2-CB 3.66Å; I135-I139 HydrophobicContact CG2-CD1 3.66Å; I135-I139 HydrophobicContact CG2-CG1 4.2Å; I135-I139 HydrophobicContact CG2-CG2 3.86Å; I135-I302 HydrophobicContact CD1-CD1 4.02Å; I135-I302 HydrophobicContact CD1-CG1 4.11Å; I135-I302 HydrophobicContact CD1-CG2 3.67Å
136P34.9Very low36.3Very low70 Ų70112.4 Ų112.446%0.45556%0.564SS.*  trans-48.4124.8172.6-2627.9000110.7N138 I139P136-N138 PolarHBondContact O-N 3.49Å; P136-I139 HydrophobicContact CB-CD1 4.31Å; P136-I139 HydrophobicContact CG-CD1 4.12Å; P136-I139 PolarHBondContact O-N 2.85Å
137N33.7Very low36.4Very low107 Ų107105 Ų10557%0.57255%0.549SS*.THydrogen-bonded Turntrans-50-8.2179-82.2-36.7000115.2I135I135-N137 PolarHBondContact O-N 2.93Å; I135-N137 VanDerWaalsContact O-N 3.13Å
138N36.2Very low36.3Very low137 Ų137104.9 Ų104.973%0.73356%0.558SS**THydrogen-bonded Turntrans-83.6-9.7174.8-63.1-25.1000114.2P136P136-N138 PolarHBondContact O-N 3.49Å
139I42Very low36.3Very low14 Ų14108.4 Ų108.47%0.07256%0.561CS.*SBendtrans-86-36-177.1-68.7169.3000112.1I135 P136 K141 R142 L143 V232I135-I139 HydrophobicContact CG2-CB 3.66Å; I135-I139 HydrophobicContact CG2-CD1 3.66Å; I135-I139 HydrophobicContact CG2-CG1 4.2Å; I135-I139 HydrophobicContact CG2-CG2 3.86Å; P136-I139 HydrophobicContact CB-CD1 4.31Å; P136-I139 HydrophobicContact CG-CD1 4.12Å; P136-I139 PolarHBondContact O-N 2.85Å; I139-K141 VanDerWaalsContact C-N 3.3Å; I139-K141 PolarHBondContact O-N 3.38Å; I139-R142 PolarHBondContact O-N 2.79Å; I139-R142 VanDerWaalsContact O-N 3.09Å; I139-L143 HydrophobicContact CG2-CD1 3.7Å; I139-L143 HydrophobicContact CG2-CG 4.4Å; I139-L143 PolarHBondContact O-N 2.88Å; I139-V232 HydrophobicContact CB-CG2 4.21Å; I139-V232 HydrophobicContact CD1-CG2 3.87Å; I139-V232 HydrophobicContact CG1-CG2 3.69Å; I139-V232 HydrophobicContact CG2-CG1 4.14Å; I139-V232 HydrophobicContact CG2-CG2 3.58Å
140E40Very low36.1Very low131 Ų131110.2 Ų110.261%0.61257%0.569SS**Hα-helixtrans-60.4-37.9-178.9-70.5-168.1152.500113R142 V144E140-R142 VanDerWaalsContact C-N 3.32Å; E140-R142 PolarHBondContact O-N 3.43Å; E140-V144 WeakPolarHBondContact O-CG2 3.44Å; E140-V144 PolarHBondContact O-N 3.29Å
141K35.9Very low35.9Very low157 Ų157111.2 Ų111.268%0.68358%0.575SS**Hα-helixtrans-68.2-30.3178.1-72.4-176180174.80113I139I139-K141 VanDerWaalsContact C-N 3.3Å; I139-K141 PolarHBondContact O-N 3.38Å
142R36.8Very low35.5Very low200 Ų200113.9 Ų113.976%0.75560%0.596SS**Hα-helixtrans-76.8-38.4180-104.1-176.9-176.7-172.91.8112.5I139 E140 T146I139-R142 PolarHBondContact O-N 2.79Å; I139-R142 VanDerWaalsContact O-N 3.09Å; E140-R142 VanDerWaalsContact C-N 3.32Å; E140-R142 PolarHBondContact O-N 3.43Å; R142-T146 PolarHBondContact O-N 2.9Å; R142-T146 PolarHBondContact O-OG1 3.01Å
143L40.8Very low35Very low61 Ų61113 Ų11332%0.31960%0.599SS.*Hα-helixtrans-73.8-28.6-177.3-74.3166.3000113.4I139 V232 I302I139-L143 HydrophobicContact CG2-CD1 3.7Å; I139-L143 HydrophobicContact CG2-CG 4.4Å; I139-L143 PolarHBondContact O-N 2.88Å; L143-V232 HydrophobicContact CD1-CG1 3.98Å; L143-V232 HydrophobicContact CD2-CG1 3.92Å; L143-V232 HydrophobicContact CG-CG1 4.17Å; L143-I302 HydrophobicContact CD1-CD1 4.3Å
144V38.6Very low34.5Very low119 Ų119118.1 Ų118.172%0.72161%0.611SS**Hα-helixtrans-88.2-20.2-177.8-179.10000112.9E140E140-V144 WeakPolarHBondContact O-CG2 3.44Å; E140-V144 PolarHBondContact O-N 3.29Å
145E33.4Very low33.5Very low158 Ų158124.2 Ų124.274%0.73864%0.638SS**Hα-helixtrans-109.7-4.9-173.7-67.7-173.1165.400115.6P147E145-P147 VanDerWaalsContact O-CD 3.24Å; E145-P147 WeakPolarHBondContact O-CD 3.17Å
146T29.2Very low33.2Very low99 Ų99127.3 Ų127.361%0.60766%0.664SS**  trans-78115.8171.628.30000111R142 L148R142-T146 PolarHBondContact O-N 2.9Å; R142-T146 PolarHBondContact O-OG1 3.01Å; T146-L148 PolarHBondContact O-N 2.77Å
147P28.8Very low32.8Very low99 Ų99131.3 Ų131.364%0.64368%0.682SS**  trans-58.9139.5158.9-7.424.1000107E145 K149E145-P147 VanDerWaalsContact O-CD 3.24Å; E145-P147 WeakPolarHBondContact O-CD 3.17Å; P147-K149 PolarHBondContact O-N 2.94Å
148L29.1Very low32.9Very low150 Ų150134.1 Ų134.179%0.78570%0.697SS**  trans-54.191169.9-66.7168.7000109T146 L282T146-L148 PolarHBondContact O-N 2.77Å; L148-L282 HydrophobicContact CD1-CD1 4.48Å
149K29.4Very low32.5Very low174 Ų174135.8 Ų135.876%0.75770%0.702SS**  trans-107.196.1163.8-80.2-169.5175-174.30105.8P147 D151P147-K149 PolarHBondContact O-N 2.94Å; K149-D151 PolarHBondContact O-N 3.37Å
150V32Very low32.3Very low98 Ų98143 Ų14359%0.59474%0.74SS**  trans-75.3102.3164.6179.90000105.7S152V150-S152 PolarHBondContact O-N 3.18Å; V150-S152 VanDerWaalsContact O-N 3.08Å
151D28.1Very low32.2Very low146 Ų146144.9 Ų144.978%0.78175%0.749SS**  trans-72.196.2169.9-75.9-30.5000108.4K149 S153K149-D151 PolarHBondContact O-N 3.37Å; D151-S153 PolarHBondContact O-N 3.39Å
152S31.1Very low32.3Very low110 Ų110144.7 Ų144.777%0.76976%0.756SS**  trans-82.985.2165620000109.1V150 Y154V150-S152 PolarHBondContact O-N 3.18Å; V150-S152 VanDerWaalsContact O-N 3.08Å; S152-Y154 PolarHBondContact O-N 3.18Å
153S27.5Very low32.1Very low108 Ų108138.2 Ų138.276%0.75575%0.751SS**  trans-85.890.8165.961.20000109.4D151D151-S153 PolarHBondContact O-N 3.39Å
154Y30.9Very low31.9Very low229 Ų229141.1 Ų141.190%0.89878%0.777SS**  trans-140.5100.8156.5-106.7-85.3000107.7S152S152-Y154 PolarHBondContact O-N 3.18Å
155E26.5Very low31.7Very low195 Ų195140.3 Ų140.391%0.91178%0.777SS**  trans-79.3124.3167.7-74.3179.6151.400109.2
156S32.4Very low32Very low112 Ų112144.2 Ų144.278%0.78379%0.786SS**  trans-144.2114.615544.70000109.9
157N26.9Very low32.3Very low154 Ų154147.5 Ų147.582%0.82480%0.8SS**  trans-62.2136.3175.4-65.4-55.2000111.5
158N34.3Very low32.7Very low166 Ų166146.1 Ų146.189%0.88880%0.804SS**  trans-161.4131.1137.1-106.2-20.2000112.1
159M29.4Very low32.9Very low172 Ų172142.8 Ų142.885%0.84781%0.806SS**  trans-69.4150177.6-54.9-171.4-16800111.3
160N37.4Very low33.1Very low164 Ų164142.7 Ų142.788%0.87781%0.813SS**  trans-166.5130.1132.2-87.5-24.8000111.1
161E37.7Very low33.3Very low171 Ų171141.6 Ų141.680%0.79982%0.822SS**  trans-47.6161.2162.7-62.3163.7159.100111.2
162D37.4Very low33.5Very low153 Ų153138.5 Ų138.582%0.81882%0.824SS**  cis-169.1157.829.1-122.6-22.7000108.9
163G32.9Very low33.6Very low64 Ų64137.2 Ų137.266%0.6683%0.829SS**  trans-92162.8176.900000115
164S36.9Very low34Very low123 Ų123138.6 Ų138.686%0.8683%0.833SS**  trans178.7133.8131.445.10000112
165S34Very low34.2Very low102 Ų102139.7 Ų139.771%0.71384%0.835SS**  trans-88.8149.9173.663.60000111.4
166Y39.2Very low34.5Very low239 Ų239134.1 Ų134.194%0.93783%0.831SS**  trans-148141.3142.8-87.5-72.3000111.8
167D35.9Very low34.4Very low168 Ų168137.2 Ų137.290%0.89884%0.837SS**  trans-94.3162.4-170.417730.1000112.4
168G37Very low34.6Very low71 Ų71137.8 Ų137.873%0.73284%0.839SS**  trans132.8117.2151.900000117.3
169G34.2Very low34.6Very low79 Ų79134.5 Ų134.581%0.81484%0.836SS**  trans133.268.5140.100000120.2
170N33.4Very low34.8Very low172 Ų172133 Ų13392%0.9284%0.836SS**  trans28.3127.8136-154.822000122
171G35.3Very low34.4Very low75 Ų75129.8 Ų129.877%0.77383%0.826SS**  trans-179.180.9164.600000116.4
172G32.8Very low34.2Very low81 Ų81127.4 Ų127.484%0.83583%0.825SS**  trans48.8115.8144.100000121.8
173G33.7Very low33.8Very low83 Ų83123.9 Ų123.986%0.85683%0.825SS**  trans172.393.2161.900000114.7
174T35.6Very low33.6Very low137 Ų137126.6 Ų126.684%0.8483%0.829SS**  trans-63.3128.6174.943.30000113.9
175R35.9Very low33.2Very low252 Ų252126 Ų12695%0.95183%0.825SS**  155.4126.3126.3-89174.4160.4177.4-5.4112.5
176G32.3Very low33.1Very low79 Ų79128.4 Ų128.481%0.81483%0.829SS**  trans112.379.9155.200000116.1L178G176-L178 PolarHBondContact O-N 3.39Å
177L30.4Very low33.1Very low176 Ų176120.7 Ų120.792%0.92181%0.806SS**  trans-72.3113.9160.2-105.982.1000108.9
178L31.3Very low33.4Very low166 Ų166123.8 Ų123.887%0.86981%0.806SS**  trans-130.1107.5151.6-77.1174.8000107G176 V180G176-L178 PolarHBondContact O-N 3.39Å; L178-V180 PolarHBondContact O-N 3.48Å
179A33.4Very low33.7Very low98 Ų98131.7 Ų131.781%0.8181%0.813SS**  trans-68.9114.7173.700000109.1S181A179-S181 PolarHBondContact O-N 2.71Å
180V33.5Very low34.7Very low140 Ų140139.1 Ų139.185%0.84882%0.817SS**  trans-79.8108.4168178.10000107.1L178L178-V180 PolarHBondContact O-N 3.48Å
181S28.8Very low36.6Very low96 Ų96135.5 Ų135.567%0.67181%0.805SS**  trans-70.8143.9169.2-62.70000109.5A179 G183A179-S181 PolarHBondContact O-N 2.71Å; S181-G183 PolarHBondContact O-N 3.21Å
182P34.1Very low38.8Very low121 Ų121143.3 Ų143.379%0.78681%0.811SS**  trans-64.5127.1177.5-7.221.5000109V184P182-V184 PolarHBondContact O-N 2.83Å
183G29Very low41.2Very low79 Ų79150.6 Ų150.681%0.81481%0.813SS**  trans-57.1110.6177.700000111.1S181 S185S181-G183 PolarHBondContact O-N 3.21Å; G183-S185 PolarHBondContact O-N 2.57Å
184V28.8Very low43.6Very low121 Ų121150 Ų15073%0.73381%0.807SS**  trans-59.7113.8165.4176.30000107.4P182 L186P182-V184 PolarHBondContact O-N 2.83Å; V184-L186 VanDerWaalsContact C-N 3.34Å; V184-L186 PolarHBondContact O-N 2.76Å
185S28.9Very low46.2Very low112 Ų112148.6 Ų148.678%0.78381%0.81SS**  trans-61.2100.1167.6177.40000107.6G183 T187G183-S185 PolarHBondContact O-N 2.57Å; S185-T187 PolarHBondContact O-N 2.98Å; S185-T187 VanDerWaalsContact O-N 3.08Å
186L32.7Very low48.6Very low152 Ų152140.9 Ų140.980%0.79679%0.79SS**  trans-49117174.5-83.6146000108.6V184 R188V184-L186 VanDerWaalsContact C-N 3.34Å; V184-L186 PolarHBondContact O-N 2.76Å; L186-R188 PolarHBondContact O-N 3.47Å
187T39Very low51.2Low76 Ų76142.1 Ų142.147%0.46679%0.786SS.*  trans-41.5107.7160.525.40000107.8E44 K48 S185 R189E44-T187 WeakPolarHBondContact OE1-CG2 3.4Å; E44-T187 PolarHBondContact OE1-OG1 3.5Å; E44-T187 WeakPolarHBondContact OE2-CG2 3.34Å; K48-T187 PolarHBondContact NZ-OG1 3.35Å; S185-T187 PolarHBondContact O-N 2.98Å; S185-T187 VanDerWaalsContact O-N 3.08Å; T187-R189 PolarHBondContact O-N 2.81Å
188R40.8Very low53.6Low234 Ų234134.8 Ų134.888%0.88375%0.754SS**  trans-63.692.6-178.3-141.6178.7-175.4-176.31.8105.8L186 R190L186-R188 PolarHBondContact O-N 3.47Å; R188-R190 PolarHBondContact O-N 2.89Å
189R43.2Very low56.3Low237 Ų237130.9 Ų130.989%0.89473%0.731SS**  trans-41.8118.6167.7-122.3-177.6167.8-167.4-3.6105T187 S191T187-R189 PolarHBondContact O-N 2.81Å; R189-S191 PolarHBondContact O-N 3.28Å
190R56.2Low59.1Low235 Ų235132.1 Ų132.189%0.88773%0.728SS**  trans-43.7104-174-100.1-178.5167.5176-2.1108.4R188R188-R190 PolarHBondContact O-N 2.89Å
191S72.8Confident61.8Low96 Ų96126.3 Ų126.367%0.67169%0.691SS**PPolyproline II helixtrans-65.1148177.4-171.60000107.3R189 R193R189-S191 PolarHBondContact O-N 3.28Å; S191-R193 PolarHBondContact O-N 2.77Å; S191-R193 VanDerWaalsContact O-N 3.15Å
192R81.5Confident64.8Low238 Ų238124.3 Ų124.390%0.89868%0.675SS**PPolyproline II helixtrans-58.8123174.1-65.4178.568.2-170.10.9107.4G194R192-G194 PolarHBondContact O-N 2.72Å
193R84.3Confident67.5Low235 Ų235123.8 Ų123.889%0.88766%0.662SS**PPolyproline II helixtrans-71.4123.7174.8-68.1174.9-69.8178.82108S191S191-R193 PolarHBondContact O-N 2.77Å; S191-R193 VanDerWaalsContact O-N 3.15Å
194G83.6Confident70.5Confident71 Ų71126.4 Ų126.473%0.73265%0.653SS**PPolyproline II helixtrans-75.6152.6172.700000111.1R192R192-G194 PolarHBondContact O-N 2.72Å
195A89.1Confident73.5Confident107 Ų107122.9 Ų122.988%0.88463%0.63SS**PPolyproline II helixtrans-81154.5168.200000110.1
196V86.7Confident76.4Confident89 Ų89118 Ų11854%0.53960%0.596SS.*  trans-130.6146.7175.1-64.90000108.5Y303V196-Y303 HydrophobicContact CB-CD2 3.65Å; V196-Y303 HydrophobicContact CB-CE2 3.54Å; V196-Y303 HydrophobicContact CB-CG 4.34Å; V196-Y303 HydrophobicContact CG1-CD2 4.09Å; V196-Y303 HydrophobicContact CG1-CE2 3.59Å; V196-Y303 HydrophobicContact CG2-CD1 4.41Å; V196-Y303 HydrophobicContact CG2-CD2 4.02Å; V196-Y303 HydrophobicContact CG2-CE1 4.17Å; V196-Y303 HydrophobicContact CG2-CE2 3.65Å; V196-Y303 HydrophobicContact CG2-CG 4.39Å
197S86.5Confident79.2Confident105 Ų105114.9 Ų114.973%0.73459%0.593SS**  trans-147134.9176.9-174.50000108.8
198G81.9Confident81.7Confident23 Ų23114.9 Ų114.924%0.23760%0.596CS.*  trans-83.1-179.9166.900000111.6
199E87.9Confident84.2Confident84 Ų84105.7 Ų105.739%0.39356%0.561SS.*  trans-64.6152.3169.4-55.983.7176.400110.9Y201 R324 R328E199-Y201 HydrophobicContact CB-CE2 3.93Å; E199-Y201 WeakPolarHBondContact O-CD2 3.44Å; E199-R324 IonicContact OE1-CZ 3.23Å; E199-R324 IonicContact OE1-NH1 3.9Å; E199-R324 PolarHBondContact OE1-NH1 2.59Å; E199-R324 WeakPolarHBondContact OE2-CD 3.4Å; E199-R324 IonicContact OE2-CZ 3.85Å; E199-R324 IonicContact OE2-NH1 2.75Å; E199-R324 PolarHBondContact OE2-NH1 3.4Å; E199-R328 PolarHBondContact O-NH1 3.37Å; E199-R328 PolarHBondContact O-NH2 3.01Å
200V91.6Very high86.6Confident124 Ų124100.2 Ų100.275%0.75255%0.554SS**  trans-86.4129.5173.9-178.50000108.6
201Y90.2Very high88.3Confident18 Ų1893.1 Ų93.17%0.07153%0.53CS..  trans-115129.6175.3-70.6-92000109.1E199 D205 D325 R328 R329E199-Y201 HydrophobicContact CB-CE2 3.93Å; E199-Y201 WeakPolarHBondContact O-CD2 3.44Å; Y201-D205 HydrophobicContact CD1-CB 4.34Å; Y201-D325 VanDerWaalsContact CE1-OD1 3.23Å; Y201-D325 WeakPolarHBondContact CE1-OD1 3.37Å; Y201-D325 WeakPolarHBondContact OH-CA 3.41Å; Y201-D325 PolarHBondContact OH-OD1 3.4Å; Y201-R328 HydrophobicContact CD2-CB 4.47Å; Y201-R328 HydrophobicContact CE2-CB 4.19Å; Y201-R328 HydrophobicContact CE2-CG 4.49Å; Y201-R328 VanDerWaalsContact CE2-CZ 3.48Å; Y201-R329 HydrophobicContact CD1-CG 3.98Å; Y201-R329 HydrophobicContact CE1-CG 3.98Å
202T92.7Very high89.4Confident54 Ų5493.1 Ų93.133%0.33152%0.518SS..  trans-94.8165.8176.780.20000111.8E204 D205 A206 M332T202-E204 WeakPolarHBondContact CB-OE2 3.35Å; T202-E204 PolarHBondContact O-N 2.85Å; T202-E204 PolarHBondContact OG1-N 2.85Å; T202-E204 PolarHBondContact OG1-OE2 2.74Å; T202-D205 PolarHBondContact N-OD2 3.29Å; T202-D205 WeakPolarHBondContact O-CB 3.27Å; T202-D205 PolarHBondContact O-N 2.86Å; T202-D205 PolarHBondContact OG1-N 3.33Å; T202-D205 PolarHBondContact OG1-OD2 2.74Å; T202-A206 PolarHBondContact O-N 3.4Å; T202-M332 WeakPolarHBondContact O-CE 3.2Å
203E90.2Very high90.1Very high109 Ų10986.2 Ų86.251%0.50950%0.501SS..Hα-helixtrans-58.3-32.6174.9-66.5-171.4178.200111.7A206 A207 M332 I336E203-A206 PolarHBondContact O-N 3.17Å; E203-A207 WeakPolarHBondContact O-CB 3.44Å; E203-A207 PolarHBondContact O-N 3.35Å; E203-M332 HydrophobicContact CG-CE 4.32Å; E203-I336 HydrophobicContact CB-CD1 4.24Å; E203-I336 HydrophobicContact CG-CD1 4.03Å
204E92.1Very high90.7Very high134 Ų13477 Ų7763%0.62647%0.471SS*.Hα-helixtrans-67.3-36.2174.5-57.578.5-168.700112.5T202 A206 A207 S208T202-E204 WeakPolarHBondContact CB-OE2 3.35Å; T202-E204 PolarHBondContact O-N 2.85Å; T202-E204 PolarHBondContact OG1-N 2.85Å; T202-E204 PolarHBondContact OG1-OE2 2.74Å; E204-A206 VanDerWaalsContact C-N 3.33Å; E204-A206 PolarHBondContact O-N 2.75Å; E204-A207 PolarHBondContact O-N 3.27Å; E204-S208 VanDerWaalsContact O-CB 3.27Å; E204-S208 WeakPolarHBondContact O-CB 3.43Å; E204-S208 PolarHBondContact O-N 3.09Å; E204-S208 PolarHBondContact O-OG 3.35Å
205D91.6Very high91.3Very high47 Ų4779.2 Ų79.225%0.25147%0.473SS..Hα-helixtrans-65.1-38176.1-67.2-43.2000112Y201 T202 S208 Y209 R329Y201-D205 HydrophobicContact CD1-CB 4.34Å; T202-D205 PolarHBondContact N-OD2 3.29Å; T202-D205 WeakPolarHBondContact O-CB 3.27Å; T202-D205 PolarHBondContact O-N 2.86Å; T202-D205 PolarHBondContact OG1-N 3.33Å; T202-D205 PolarHBondContact OG1-OD2 2.74Å; D205-S208 PolarHBondContact O-OG 3.1Å; D205-Y209 PolarHBondContact O-N 3.23Å; D205-R329 PolarHBondContact O-NH1 3.37Å
206A90.7Very high91.6Very high9 Ų975.9 Ų75.97%0.07444%0.438CS..Hα-helixtrans-71.7-41.3174.900000111.8T202 E203 E204 S208 Y209 M332 I336T202-A206 PolarHBondContact O-N 3.4Å; E203-A206 PolarHBondContact O-N 3.17Å; E204-A206 VanDerWaalsContact C-N 3.33Å; E204-A206 PolarHBondContact O-N 2.75Å; A206-S208 VanDerWaalsContact C-N 3.34Å; A206-Y209 WeakPolarHBondContact O-CB 3.41Å; A206-Y209 PolarHBondContact O-N 2.95Å; A206-M332 HydrophobicContact CB-CB 4.1Å; A206-M332 HydrophobicContact CB-CE 4.14Å; A206-M332 HydrophobicContact CB-CG 3.72Å; A206-M332 HydrophobicContact CB-SD 3.95Å; A206-I336 HydrophobicContact CB-CD1 3.89Å
207A89.7Confident92Very high88 Ų8875.9 Ų75.973%0.72744%0.435SS*.Hα-helixtrans-68.8-31.9179.300000113.1E203 E204 Y209E203-A207 WeakPolarHBondContact O-CB 3.44Å; E203-A207 PolarHBondContact O-N 3.35Å; E204-A207 PolarHBondContact O-N 3.27Å; A207-Y209 VanDerWaalsContact C-N 3.31Å
208S93.2Very high92.4Very high76 Ų7680.2 Ų80.253%0.53144%0.437SS..THydrogen-bonded Turntrans-81.9-6.6177.359.60000113.8E204 D205 A206 V210E204-S208 VanDerWaalsContact O-CB 3.27Å; E204-S208 WeakPolarHBondContact O-CB 3.43Å; E204-S208 PolarHBondContact O-N 3.09Å; E204-S208 PolarHBondContact O-OG 3.35Å; D205-S208 PolarHBondContact O-OG 3.1Å; A206-S208 VanDerWaalsContact C-N 3.34Å; S208-V210 PolarHBondContact O-N 3.08Å
209Y92.3Very high93Very high41 Ų4187 Ų8716%0.16146%0.46CS..  trans-66.1120.2178.7-177.8-107.9000111.5D205 A206 A207 S326 R329 I330D205-Y209 PolarHBondContact O-N 3.23Å; A206-Y209 WeakPolarHBondContact O-CB 3.41Å; A206-Y209 PolarHBondContact O-N 2.95Å; A207-Y209 VanDerWaalsContact C-N 3.31Å; Y209-S326 WeakPolarHBondContact OH-CB 3.4Å; Y209-R329 HydrophobicContact CD1-CB 4.37Å; Y209-R329 HydrophobicContact CD2-CB 3.75Å; Y209-R329 VanDerWaalsContact CD2-CD 3.45Å; Y209-R329 HydrophobicContact CD2-CG 4.27Å; Y209-R329 HydrophobicContact CE2-CB 4.31Å; Y209-R329 HydrophobicContact CG-CB 3.77Å; Y209-I330 HydrophobicContact CD1-CG1 4.34Å; Y209-I330 HydrophobicContact CE1-CD1 4.23Å; Y209-I330 HydrophobicContact CE1-CG1 3.53Å
210V93.9Very high93.3Very high121 Ų12183.7 Ų83.773%0.73345%0.445SS*.  trans-90.1113.6172.4-178.20000108.4S208 K212S208-V210 PolarHBondContact O-N 3.08Å; V210-K212 PolarHBondContact O-N 3.26Å
211K92.3Very high93.5Very high87 Ų8779.7 Ų79.738%0.37842%0.419SS..  trans-53.2115.1178.8-178.1-179.9172.9-178.60110.4V213 D244 D247K211-V213 HydrophobicContact CD-CG2 4.31Å; K211-V213 HydrophobicContact CG-CG2 4.15Å; K211-D244 VanDerWaalsContact CE-OD1 3.22Å; K211-D244 WeakPolarHBondContact CE-OD1 3.46Å; K211-D244 IonicContact NZ-OD1 3.61Å; K211-D244 PolarHBondContact NZ-OD1 2.82Å; K211-D247 WeakPolarHBondContact CE-OD2 3.3Å; K211-D247 IonicContact NZ-OD2 3.17Å; K211-D247 PolarHBondContact NZ-OD2 3.5Å
212K94.7Very high93.6Very high96 Ų9682.1 Ų82.142%0.41744%0.436SS..  trans-76132172-62.5173.9-173.61630108.7V210 D247 A248 D323 S326V210-K212 PolarHBondContact O-N 3.26Å; K212-D247 CarbonylContact O-C 3.54Å; K212-A248 HydrophobicContact CB-CB 4.29Å; K212-A248 WeakPolarHBondContact O-CA 3.21Å; K212-A248 PolarHBondContact O-N 3.39Å; K212-D323 IonicContact NZ-OD2 3.14Å; K212-D323 PolarHBondContact NZ-OD2 3.03Å; K212-S326 PolarHBondContact NZ-OG 3.11Å
213V96.6Very high93.7Very high92 Ų9281.6 Ų81.656%0.55844%0.437SS*.  trans-127.1105.4176.3-175.50000109K211 D247K211-V213 HydrophobicContact CD-CG2 4.31Å; K211-V213 HydrophobicContact CG-CG2 4.15Å; V213-D247 HydrophobicContact CG1-CB 4.31Å; V213-D247 HydrophobicContact CG2-CB 4.34Å
214V96.8Very high93.9Very high41 Ų4176.5 Ų76.525%0.24841%0.413CS..  trans-101.3114.4173.3179.70000107.9K216 D247 M249 W320V214-K216 PolarHBondContact O-N 2.86Å; V214-K216 PolarHBondContact O-NZ 2.75Å; V214-D247 PolarHBondContact N-O 3.42Å; V214-M249 WeakPolarHBondContact CB-O 3.28Å; V214-W320 HydrophobicContact CG1-CZ3 4.21Å
215P96.2Very high94Very high118 Ų11872.1 Ų72.177%0.76640%0.397SS*.  trans-61.9133.4-173.225.5-34.3000111.5
216K95.7Very high94Very high37 Ų3778.3 Ų78.316%0.16142%0.422CS..  trans-133.5144.3177.9-68.2169.5-170.670.20108.9V214 T220 M221 L224 F246 D247 M249 W320V214-K216 PolarHBondContact O-N 2.86Å; V214-K216 PolarHBondContact O-NZ 2.75Å; K216-T220 HydrophobicContact CB-CG2 4.39Å; K216-T220 HydrophobicContact CD-CG2 4.35Å; K216-T220 HydrophobicContact CG-CG2 4.35Å; K216-M221 HydrophobicContact CB-CG 3.93Å; K216-M221 HydrophobicContact CB-SD 3.81Å; K216-M221 HydrophobicContact CD-SD 3.7Å; K216-M221 HydrophobicContact CG-SD 4.39Å; K216-L224 HydrophobicContact CD-CD1 3.86Å; K216-F246 WeakPolarHBondContact CE-O 3.46Å; K216-F246 PolarHBondContact NZ-O 2.87Å; K216-D247 PolarHBondContact NZ-O 2.89Å; K216-M249 WeakPolarHBondContact CE-O 3.41Å; K216-M249 PolarHBondContact NZ-O 2.92Å; K216-W320 HydrophobicContact CD-CE3 4.43Å; K216-W320 HydrophobicContact CD-CH2 4.1Å; K216-W320 HydrophobicContact CD-CZ2 4.35Å; K216-W320 HydrophobicContact CD-CZ3 4.16Å; K216-W320 HydrophobicContact CG-CH2 3.6Å; K216-W320 HydrophobicContact CG-CZ2 3.97Å; K216-W320 HydrophobicContact CG-CZ3 4.07Å
217D95.3Very high94.1Very high89 Ų8979 Ų7948%0.47643%0.428SS..  trans-76.7163.2173.972.6-20.6000111.2K219 T220 M221D217-K219 PolarHBondContact O-N 3.09Å; D217-T220 PolarHBondContact O-N 3.43Å; D217-T220 WeakPolarHBondContact OD1-CB 3.26Å; D217-T220 PolarHBondContact OD1-N 2.9Å; D217-T220 PolarHBondContact OD1-OG1 2.85Å; D217-M221 WeakPolarHBondContact O-CG 3.24Å; D217-M221 PolarHBondContact O-N 2.95Å
218Y94.6Very high94.2Very high196 Ų19675 Ų7577%0.76939%0.394SS*.Hα-helixtrans-58-34.5-179.3179.3-100.3000112.6M221 T222Y218-M221 PolarHBondContact O-N 3.41Å; Y218-T222 WeakPolarHBondContact O-CB 3.29Å; Y218-T222 PolarHBondContact O-N 3.45Å; Y218-T222 PolarHBondContact O-OG1 3.25Å
219K94.6Very high94Very high166 Ų16674.5 Ų74.572%0.72239%0.394SS*.Hα-helixtrans-63.7-48177.8-172.1-176.7176.1-172.80111.2D217 T222 A223D217-K219 PolarHBondContact O-N 3.09Å; K219-T222 PolarHBondContact O-N 2.88Å; K219-A223 PolarHBondContact O-N 3.08Å
220T94.9Very high93.7Very high14 Ų1482.3 Ų82.39%0.08643%0.429CS..Hα-helixtrans-62.6-46.7176.8-59.50000111.1K216 D217 T222 A223 L224 W320K216-T220 HydrophobicContact CB-CG2 4.39Å; K216-T220 HydrophobicContact CD-CG2 4.35Å; K216-T220 HydrophobicContact CG-CG2 4.35Å; D217-T220 PolarHBondContact O-N 3.43Å; D217-T220 WeakPolarHBondContact OD1-CB 3.26Å; D217-T220 PolarHBondContact OD1-N 2.9Å; D217-T220 PolarHBondContact OD1-OG1 2.85Å; T220-T222 VanDerWaalsContact C-N 3.27Å; T220-T222 PolarHBondContact O-N 3.29Å; T220-A223 PolarHBondContact O-N 2.97Å; T220-A223 VanDerWaalsContact O-N 3.11Å; T220-L224 HydrophobicContact CG2-CD1 4.03Å; T220-L224 HydrophobicContact CG2-CG 4.24Å; T220-L224 WeakPolarHBondContact O-CG 3.47Å; T220-L224 PolarHBondContact O-N 2.83Å; T220-W320 HydrophobicContact CG2-CZ2 3.67Å; T220-W320 VanDerWaalsContact CG2-NE1 3.28Å
221M94.3Very high93.5Very high41 Ų4177.4 Ų77.420%0.20240%0.399CS..Hα-helixtrans-58.6-40.1179.5-67.2-66.8-76.400112.1K216 D217 Y218 S225 F246K216-M221 HydrophobicContact CB-CG 3.93Å; K216-M221 HydrophobicContact CB-SD 3.81Å; K216-M221 HydrophobicContact CD-SD 3.7Å; K216-M221 HydrophobicContact CG-SD 4.39Å; D217-M221 WeakPolarHBondContact O-CG 3.24Å; D217-M221 PolarHBondContact O-N 2.95Å; Y218-M221 PolarHBondContact O-N 3.41Å; M221-S225 WeakPolarHBondContact O-CB 3.38Å; M221-S225 PolarHBondContact O-N 2.91Å; M221-F246 HydrophobicContact CE-CB 3.53Å; M221-F246 HydrophobicContact CE-CD2 3.87Å; M221-F246 HydrophobicContact CE-CG 4.12Å; M221-F246 HydrophobicContact SD-CB 3.78Å; M221-F246 HydrophobicContact SD-CG 4.42Å
222T93.9Very high93.4Very high68 Ų6875 Ų7542%0.41739%0.391SS..Hα-helixtrans-67.2-41.2176.4-56.50000111.8Y218 K219 T220 S225 K226Y218-T222 WeakPolarHBondContact O-CB 3.29Å; Y218-T222 PolarHBondContact O-N 3.45Å; Y218-T222 PolarHBondContact O-OG1 3.25Å; K219-T222 PolarHBondContact O-N 2.88Å; T220-T222 VanDerWaalsContact C-N 3.27Å; T220-T222 PolarHBondContact O-N 3.29Å; T222-S225 PolarHBondContact O-N 2.7Å; T222-K226 PolarHBondContact O-N 3.16Å; T222-K226 VanDerWaalsContact O-N 3.08Å
223A93.5Very high93.2Very high44 Ų4470.8 Ų70.836%0.36437%0.373SS..Hα-helixtrans-64-44.6176.700000112K219 T220 K226 A227K219-A223 PolarHBondContact O-N 3.08Å; T220-A223 PolarHBondContact O-N 2.97Å; T220-A223 VanDerWaalsContact O-N 3.11Å; A223-K226 PolarHBondContact O-N 3.16Å; A223-A227 WeakPolarHBondContact O-CB 3.42Å; A223-A227 PolarHBondContact O-N 3.27Å
224L95Very high93Very high2 Ų266.8 Ų66.81%0.0135%0.348CS..Hα-helixtrans-59.2-47.9175.4-70.2174.9000111.6K216 T220 K226 A227 I228 F246 M249 I272 W320K216-L224 HydrophobicContact CD-CD1 3.86Å; T220-L224 HydrophobicContact CG2-CD1 4.03Å; T220-L224 HydrophobicContact CG2-CG 4.24Å; T220-L224 WeakPolarHBondContact O-CG 3.47Å; T220-L224 PolarHBondContact O-N 2.83Å; L224-K226 VanDerWaalsContact C-N 3.29Å; L224-K226 PolarHBondContact O-N 3.15Å; L224-A227 PolarHBondContact O-N 3.02Å; L224-A227 VanDerWaalsContact O-N 3.16Å; L224-I228 WeakPolarHBondContact O-CG1 3.41Å; L224-I228 PolarHBondContact O-N 2.93Å; L224-F246 HydrophobicContact CB-CD1 3.99Å; L224-F246 HydrophobicContact CB-CE1 3.71Å; L224-F246 HydrophobicContact CB-CZ 4.17Å; L224-F246 HydrophobicContact CD1-CD1 4.15Å; L224-M249 HydrophobicContact CD1-SD 3.99Å; L224-M249 HydrophobicContact CD2-CE 4.42Å; L224-M249 HydrophobicContact CD2-SD 4.01Å; L224-I272 HydrophobicContact CD2-CB 4.2Å; L224-I272 HydrophobicContact CD2-CD1 3.77Å; L224-I272 HydrophobicContact CD2-CG2 4.04Å; L224-W320 HydrophobicContact CD1-CG 4.42Å; L224-W320 HydrophobicContact CD2-CB 3.9Å; L224-W320 HydrophobicContact CD2-CG 3.9Å
225S93.4Very high92.6Very high41 Ų4167.6 Ų67.629%0.28736%0.356SS..Hα-helixtrans-56.5-42.4176.6-171.60000112.4M221 T222 A229M221-S225 WeakPolarHBondContact O-CB 3.38Å; M221-S225 PolarHBondContact O-N 2.91Å; T222-S225 PolarHBondContact O-N 2.7Å; S225-A229 PolarHBondContact O-N 2.76Å
226K92.5Very high92.3Very high178 Ų17868.1 Ų68.177%0.77435%0.348SS*.Hα-helixtrans-67.5-41.1176.5-173180176.8-174.70112.5T222 A223 L224 I228T222-K226 PolarHBondContact O-N 3.16Å; T222-K226 VanDerWaalsContact O-N 3.08Å; A223-K226 PolarHBondContact O-N 3.16Å; L224-K226 VanDerWaalsContact C-N 3.29Å; L224-K226 PolarHBondContact O-N 3.15Å; K226-I228 VanDerWaalsContact C-N 3.35Å; K226-I228 PolarHBondContact O-N 3.12Å
227A92.5Very high92Very high23 Ų2367.5 Ų67.519%0.1935%0.346CS..Hα-helixtrans-62.5-38.9-177.300000112.7A223 L224 I272 G293A223-A227 WeakPolarHBondContact O-CB 3.42Å; A223-A227 PolarHBondContact O-N 3.27Å; L224-A227 PolarHBondContact O-N 3.02Å; L224-A227 VanDerWaalsContact O-N 3.16Å; A227-I272 HydrophobicContact CB-CG2 3.7Å; A227-G293 WeakPolarHBondContact CB-O 3.42Å
228I91.5Very high91.6Very high4 Ų466.1 Ų66.12%0.02134%0.339CS..Hα-helixtrans-98.8-1.3-175.668.1178000114.9L224 K226 K230 N231 F234 F246 F270 I272L224-I228 WeakPolarHBondContact O-CG1 3.41Å; L224-I228 PolarHBondContact O-N 2.93Å; K226-I228 VanDerWaalsContact C-N 3.35Å; K226-I228 PolarHBondContact O-N 3.12Å; I228-K230 PolarHBondContact O-N 2.87Å; I228-N231 HydrophobicContact CB-CB 4.32Å; I228-N231 WeakPolarHBondContact O-CB 3.48Å; I228-N231 PolarHBondContact O-N 3.04Å; I228-F234 HydrophobicContact CB-CB 3.98Å; I228-F234 HydrophobicContact CB-CD2 4.03Å; I228-F234 HydrophobicContact CB-CG 4Å; I228-F234 HydrophobicContact CD1-CB 3.69Å; I228-F234 HydrophobicContact CD1-CD1 3.51Å; I228-F234 HydrophobicContact CD1-CD2 4.34Å; I228-F234 HydrophobicContact CD1-CE1 4.16Å; I228-F234 HydrophobicContact CD1-CG 3.6Å; I228-F234 HydrophobicContact CG1-CB 3.97Å; I228-F234 HydrophobicContact CG1-CG 4.2Å; I228-F234 HydrophobicContact CG2-CD2 4.25Å; I228-F234 HydrophobicContact CG2-CE2 4.45Å; I228-F246 HydrophobicContact CD1-CE1 3.33Å; I228-F246 HydrophobicContact CD1-CZ 3.46Å; I228-F246 VanDerWaalsContact CD1-CZ 3.46Å; I228-F246 HydrophobicContact CG1-CE1 4.28Å; I228-F246 HydrophobicContact CG1-CZ 4.17Å; I228-F270 HydrophobicContact CG2-CE1 4.18Å; I228-F270 HydrophobicContact CG2-CZ 4.27Å; I228-I272 HydrophobicContact CG2-CD1 3.33Å; I228-I272 HydrophobicContact CG2-CG1 4.14Å
229A89Confident91.3Very high65 Ų6563 Ų6354%0.53733%0.331SS..THydrogen-bonded Turntrans-56.2-30.2-175.200000113.7S225S225-A229 PolarHBondContact O-N 2.76Å
230K86.6Confident91.1Very high205 Ų20558.7 Ų58.789%0.89132%0.319SS*.THydrogen-bonded Turntrans-97.3-4.2177.2-64.1-176.2179.9179.90113.8I228I228-K230 PolarHBondContact O-N 2.87Å
231N89.3Confident91Very high18 Ų1858.4 Ų58.410%0.09632%0.317CS..  trans-78.7127.6-179-172.7-54.2000109.7I228 L233 F234 S235I228-N231 HydrophobicContact CB-CB 4.32Å; I228-N231 WeakPolarHBondContact O-CB 3.48Å; I228-N231 PolarHBondContact O-N 3.04Å; N231-L233 PolarHBondContact O-N 3.26Å; N231-L233 VanDerWaalsContact O-N 3.16Å; N231-L233 WeakPolarHBondContact OD1-CB 3.44Å; N231-L233 PolarHBondContact OD1-N 2.83Å; N231-F234 HydrophobicContact CB-CD2 3.91Å; N231-F234 PolarHBondContact O-N 3.31Å; N231-S235 WeakPolarHBondContact O-CB 3.25Å; N231-S235 PolarHBondContact O-N 3.05Å; N231-S235 PolarHBondContact O-OG 3.35Å
232V90.1Very high91Very high37 Ų3759.8 Ų59.822%0.22432%0.32CS..THydrogen-bonded Turntrans-60.7-27.3-173.671.10000113.7I139 L143 F234I139-V232 HydrophobicContact CB-CG2 4.21Å; I139-V232 HydrophobicContact CD1-CG2 3.87Å; I139-V232 HydrophobicContact CG1-CG2 3.69Å; I139-V232 HydrophobicContact CG2-CG1 4.14Å; I139-V232 HydrophobicContact CG2-CG2 3.58Å; L143-V232 HydrophobicContact CD1-CG1 3.98Å; L143-V232 HydrophobicContact CD2-CG1 3.92Å; L143-V232 HydrophobicContact CG-CG1 4.17Å; V232-F234 VanDerWaalsContact C-N 3.26Å; V232-F234 PolarHBondContact O-N 3.32Å
233L90.5Very high91Very high8 Ų858.9 Ų58.94%0.04232%0.316CS..THydrogen-bonded Turntrans-79.4-9178.8-62-173.9000113.5N231 E298 L301 I302 Y327N231-L233 PolarHBondContact O-N 3.26Å; N231-L233 VanDerWaalsContact O-N 3.16Å; N231-L233 WeakPolarHBondContact OD1-CB 3.44Å; N231-L233 PolarHBondContact OD1-N 2.83Å; L233-E298 HydrophobicContact CD1-CB 4.16Å; L233-E298 VanDerWaalsContact CD1-O 3.22Å; L233-E298 WeakPolarHBondContact CD1-O 3.41Å; L233-L301 HydrophobicContact CD1-CB 4.04Å; L233-L301 HydrophobicContact CD1-CD1 4.24Å; L233-I302 HydrophobicContact CD1-CD1 4.39Å; L233-I302 HydrophobicContact CD1-CG1 4.07Å; L233-I302 HydrophobicContact CD2-CD1 3.79Å; L233-I302 HydrophobicContact CD2-CG1 3.97Å; L233-Y327 PolarHBondContact O-OH 3.23Å
234F92.4Very high91.1Very high7 Ų757.5 Ų57.53%0.03130%0.303CS..THydrogen-bonded Turntrans-126.5-20.8-175.3-61.2-85.6000113.5I228 N231 V232 H236 L237 I245 F270 L301 Y327I228-F234 HydrophobicContact CB-CB 3.98Å; I228-F234 HydrophobicContact CB-CD2 4.03Å; I228-F234 HydrophobicContact CB-CG 4Å; I228-F234 HydrophobicContact CD1-CB 3.69Å; I228-F234 HydrophobicContact CD1-CD1 3.51Å; I228-F234 HydrophobicContact CD1-CD2 4.34Å; I228-F234 HydrophobicContact CD1-CE1 4.16Å; I228-F234 HydrophobicContact CD1-CG 3.6Å; I228-F234 HydrophobicContact CG1-CB 3.97Å; I228-F234 HydrophobicContact CG1-CG 4.2Å; I228-F234 HydrophobicContact CG2-CD2 4.25Å; I228-F234 HydrophobicContact CG2-CE2 4.45Å; N231-F234 HydrophobicContact CB-CD2 3.91Å; N231-F234 PolarHBondContact O-N 3.31Å; V232-F234 VanDerWaalsContact C-N 3.26Å; V232-F234 PolarHBondContact O-N 3.32Å; F234-H236 PolarHBondContact O-N 3.04Å; F234-L237 HydrophobicContact CD1-CD1 3.9Å; F234-L237 PolarHBondContact O-N 2.89Å; F234-I245 HydrophobicContact CD1-CD1 4.44Å; F234-I245 HydrophobicContact CE1-CD1 4.29Å; F234-I245 HydrophobicContact CE1-CG2 4.03Å; F234-F270 HydrophobicContact CD2-CE1 4.47Å; F234-F270 AromaticContact CE2-CD1 3.85Å; F234-F270 HydrophobicContact CE2-CD1 3.85Å; F234-F270 AromaticContact CE2-CE1 3.4Å; F234-F270 HydrophobicContact CE2-CE1 3.4Å; F234-F270 VanDerWaalsContact CE2-CE1 3.4Å; F234-F270 HydrophobicContact CE2-CZ 4.02Å; F234-F270 AromaticContact CZ-CD1 3.68Å; F234-F270 HydrophobicContact CZ-CD1 3.68Å; F234-F270 AromaticContact CZ-CE1 3.55Å; F234-F270 HydrophobicContact CZ-CE1 3.55Å; F234-L301 HydrophobicContact CE2-CD1 4.12Å; F234-L301 HydrophobicContact CZ-CD1 3.73Å; F234-Y327 HydrophobicContact CD1-CE2 4.35Å; F234-Y327 HydrophobicContact CE1-CD2 4.23Å; F234-Y327 AromaticContact CE1-CE2 3.81Å; F234-Y327 HydrophobicContact CE1-CE2 3.81Å; F234-Y327 HydrophobicContact CZ-CD2 4.45Å; F234-Y327 HydrophobicContact CZ-CE2 4.09Å
235S89.7Confident91.1Very high58 Ų5857.4 Ų57.441%0.40630%0.302SS..THydrogen-bonded Turntrans-65.7-18.1-177.358.50000114.5N231N231-S235 WeakPolarHBondContact O-CB 3.25Å; N231-S235 PolarHBondContact O-N 3.05Å; N231-S235 PolarHBondContact O-OG 3.35Å
236H88.1Confident91.3Very high129 Ų12956 Ų5660%0.59729%0.291SS*.THydrogen-bonded Turntrans-104.9-1-178.6-62.4-63.2000113.9F234F234-H236 PolarHBondContact O-N 3.04Å
237L91Very high91.5Very high25 Ų2549 Ų4913%0.13126%0.262CS..  trans-82.6141.8-177.7-57.6-174.2000110.9F234 E241 R242 I245 Y327 L331F234-L237 HydrophobicContact CD1-CD1 3.9Å; F234-L237 PolarHBondContact O-N 2.89Å; L237-E241 WeakPolarHBondContact CA-OE2 3.34Å; L237-E241 HydrophobicContact CB-CB 4.07Å; L237-R242 HydrophobicContact CB-CG 3.75Å; L237-I245 HydrophobicContact CD1-CD1 3.36Å; L237-Y327 HydrophobicContact CD1-CE2 4.46Å; L237-L331 HydrophobicContact CD1-CD2 4.04Å; L237-L331 HydrophobicContact CD2-CD1 4.16Å; L237-L331 HydrophobicContact CD2-CD2 3.4Å; L237-L331 HydrophobicContact CD2-CG 4.44Å; L237-L331 HydrophobicContact CG-CD2 4.33Å
238D87.4Confident91.7Very high59 Ų5948 Ų4832%0.31625%0.253SS..  trans-71.7173.117573.342000112.2T240 E241 R242 R338D238-T240 VanDerWaalsContact C-N 3.26Å; D238-T240 PolarHBondContact O-N 3.16Å; D238-T240 WeakPolarHBondContact OD1-CA 3.15Å; D238-T240 WeakPolarHBondContact OD1-CB 3.39Å; D238-T240 PolarHBondContact OD1-N 3.45Å; D238-E241 PolarHBondContact N-OE2 3.02Å; D238-E241 WeakPolarHBondContact OD1-CG 3.4Å; D238-E241 PolarHBondContact OD1-N 2.88Å; D238-R242 WeakPolarHBondContact O-CB 3.39Å; D238-R242 VanDerWaalsContact O-CG 3.32Å; D238-R242 WeakPolarHBondContact O-CG 3.3Å; D238-R242 PolarHBondContact O-N 3Å; D238-R242 PolarHBondContact O-NE 3.07Å; D238-R338 IonicContact OD2-NH1 3.43Å
239E87.8Confident92Very high131 Ų13147.9 Ų47.961%0.61225%0.253SS*.Hα-helixtrans-61.2-34180-74.9174.4-175.900113.3S243E239-S243 WeakPolarHBondContact O-CB 3.4Å; E239-S243 PolarHBondContact O-N 3.13Å
240T89.8Confident92.4Very high76 Ų7647.5 Ų47.547%0.46624%0.239SC..Hα-helixtrans-75.1-45.9-178.1-55.10000110D238 R242 S243 D244D238-T240 VanDerWaalsContact C-N 3.26Å; D238-T240 PolarHBondContact O-N 3.16Å; D238-T240 WeakPolarHBondContact OD1-CA 3.15Å; D238-T240 WeakPolarHBondContact OD1-CB 3.39Å; D238-T240 PolarHBondContact OD1-N 3.45Å; T240-R242 PolarHBondContact O-N 2.89Å; T240-S243 PolarHBondContact O-N 2.72Å; T240-D244 WeakPolarHBondContact O-CB 3.18Å; T240-D244 PolarHBondContact O-N 2.98Å
241E93.1Very high92.9Very high8 Ų841.1 Ų41.14%0.03722%0.219CC..Hα-helixtrans-58.2-46.5175-71.5168.4166.100111.4L237 D238 D244 I245 L331 S334 R338L237-E241 WeakPolarHBondContact CA-OE2 3.34Å; L237-E241 HydrophobicContact CB-CB 4.07Å; D238-E241 PolarHBondContact N-OE2 3.02Å; D238-E241 WeakPolarHBondContact OD1-CG 3.4Å; D238-E241 PolarHBondContact OD1-N 2.88Å; E241-D244 PolarHBondContact O-N 2.82Å; E241-I245 VanDerWaalsContact O-CG1 3.3Å; E241-I245 WeakPolarHBondContact O-CG1 3.42Å; E241-I245 PolarHBondContact O-N 3.25Å; E241-L331 HydrophobicContact CB-CD2 4.3Å; E241-L331 HydrophobicContact CG-CD2 4.35Å; E241-S334 WeakPolarHBondContact CG-OG 3.46Å; E241-S334 WeakPolarHBondContact OE1-CB 3.43Å; E241-S334 PolarHBondContact OE1-OG 3.45Å; E241-R338 IonicContact OE1-NH1 2.71Å
242R93.9Very high93.4Very high70 Ų7041.1 Ų41.126%0.26422%0.219SC..Hα-helixtrans-62.1-44.7176.1-72.9-175.7-65.2155.5-1.7111.9L237 D238 T240 I245 F246L237-R242 HydrophobicContact CB-CG 3.75Å; D238-R242 WeakPolarHBondContact O-CB 3.39Å; D238-R242 VanDerWaalsContact O-CG 3.32Å; D238-R242 WeakPolarHBondContact O-CG 3.3Å; D238-R242 PolarHBondContact O-N 3Å; D238-R242 PolarHBondContact O-NE 3.07Å; T240-R242 PolarHBondContact O-N 2.89Å; R242-I245 PolarHBondContact O-N 2.81Å; R242-F246 HydrophobicContact CB-CE2 4.18Å; R242-F246 WeakPolarHBondContact O-CD2 3.36Å; R242-F246 WeakPolarHBondContact O-CG 3.24Å; R242-F246 PolarHBondContact O-N 2.85Å
243S93.5Very high93.7Very high48 Ų4843.9 Ų43.934%0.33623%0.229SC..Hα-helixtrans-62.1-44.8177.7-168.90000111.7E239 T240 I245 F246 D247E239-S243 WeakPolarHBondContact O-CB 3.4Å; E239-S243 PolarHBondContact O-N 3.13Å; T240-S243 PolarHBondContact O-N 2.72Å; S243-I245 VanDerWaalsContact C-N 3.31Å; S243-I245 PolarHBondContact O-N 3.19Å; S243-F246 PolarHBondContact O-N 2.87Å; S243-D247 VanDerWaalsContact O-CG 3.28Å; S243-D247 PolarHBondContact O-N 2.92Å
244D95.1Very high94.1Very high16 Ų1648.5 Ų48.59%0.08625%0.246CC..Hα-helixtrans-62-39.8178.8-76.1-8.9000111.3K211 T240 E241 A248 I330 R337K211-D244 VanDerWaalsContact CE-OD1 3.22Å; K211-D244 WeakPolarHBondContact CE-OD1 3.46Å; K211-D244 IonicContact NZ-OD1 3.61Å; K211-D244 PolarHBondContact NZ-OD1 2.82Å; T240-D244 WeakPolarHBondContact O-CB 3.18Å; T240-D244 PolarHBondContact O-N 2.98Å; E241-D244 PolarHBondContact O-N 2.82Å; D244-A248 PolarHBondContact O-N 2.77Å; D244-I330 HydrophobicContact CB-CG2 3.68Å; D244-R337 IonicContact OD2-NH2 3.5Å
245I96.5Very high94.4Very high0 Ų052.9 Ų52.90%027%0.27CS..Hα-helixtrans-67.5-45.8175.2-67.1163.6000111.2F234 L237 E241 R242 S243 D247 A248 M249 I322 Y327 I330 L331F234-I245 HydrophobicContact CD1-CD1 4.44Å; F234-I245 HydrophobicContact CE1-CD1 4.29Å; F234-I245 HydrophobicContact CE1-CG2 4.03Å; L237-I245 HydrophobicContact CD1-CD1 3.36Å; E241-I245 VanDerWaalsContact O-CG1 3.3Å; E241-I245 WeakPolarHBondContact O-CG1 3.42Å; E241-I245 PolarHBondContact O-N 3.25Å; R242-I245 PolarHBondContact O-N 2.81Å; S243-I245 VanDerWaalsContact C-N 3.31Å; S243-I245 PolarHBondContact O-N 3.19Å; I245-D247 VanDerWaalsContact C-N 3.29Å; I245-D247 PolarHBondContact O-N 3.03Å; I245-A248 PolarHBondContact O-N 3.41Å; I245-A248 VanDerWaalsContact O-N 3.07Å; I245-M249 WeakPolarHBondContact O-CG 3.49Å; I245-M249 PolarHBondContact O-N 3.34Å; I245-M249 VanDerWaalsContact O-N 3.08Å; I245-I322 HydrophobicContact CG2-CG1 4.25Å; I245-Y327 HydrophobicContact CD1-CD2 3.88Å; I245-Y327 HydrophobicContact CD1-CE2 3.87Å; I245-Y327 HydrophobicContact CG1-CD2 4.4Å; I245-I330 HydrophobicContact CG1-CB 4.48Å; I245-I330 HydrophobicContact CG1-CD1 4.18Å; I245-I330 HydrophobicContact CG1-CG2 3.97Å; I245-L331 HydrophobicContact CD1-CD2 4.2Å
246F96.3Very high94.8Very high12 Ų1253.8 Ų53.85%0.05328%0.277CS..Hα-helixtrans-59.7-41.3177.9-67.9-32.7000112K216 M221 L224 I228 R242 S243 A248 M249K216-F246 WeakPolarHBondContact CE-O 3.46Å; K216-F246 PolarHBondContact NZ-O 2.87Å; M221-F246 HydrophobicContact CE-CB 3.53Å; M221-F246 HydrophobicContact CE-CD2 3.87Å; M221-F246 HydrophobicContact CE-CG 4.12Å; M221-F246 HydrophobicContact SD-CB 3.78Å; M221-F246 HydrophobicContact SD-CG 4.42Å; L224-F246 HydrophobicContact CB-CD1 3.99Å; L224-F246 HydrophobicContact CB-CE1 3.71Å; L224-F246 HydrophobicContact CB-CZ 4.17Å; L224-F246 HydrophobicContact CD1-CD1 4.15Å; I228-F246 HydrophobicContact CD1-CE1 3.33Å; I228-F246 HydrophobicContact CD1-CZ 3.46Å; I228-F246 VanDerWaalsContact CD1-CZ 3.46Å; I228-F246 HydrophobicContact CG1-CE1 4.28Å; I228-F246 HydrophobicContact CG1-CZ 4.17Å; R242-F246 HydrophobicContact CB-CE2 4.18Å; R242-F246 WeakPolarHBondContact O-CD2 3.36Å; R242-F246 WeakPolarHBondContact O-CG 3.24Å; R242-F246 PolarHBondContact O-N 2.85Å; S243-F246 PolarHBondContact O-N 2.87Å; F246-A248 VanDerWaalsContact C-N 3.27Å; F246-A248 PolarHBondContact O-N 3.47Å; F246-M249 HydrophobicContact CD1-SD 4Å; F246-M249 PolarHBondContact O-N 2.87Å
247D96.8Very high95.2Very high30 Ų3050.1 Ų50.116%0.1627%0.273CS..Hα-helixtrans-58.1-42174.2-73.5-19.9000111.2K211 K212 V213 V214 K216 S243 I245 M249K211-D247 WeakPolarHBondContact CE-OD2 3.3Å; K211-D247 IonicContact NZ-OD2 3.17Å; K211-D247 PolarHBondContact NZ-OD2 3.5Å; K212-D247 CarbonylContact O-C 3.54Å; V213-D247 HydrophobicContact CG1-CB 4.31Å; V213-D247 HydrophobicContact CG2-CB 4.34Å; V214-D247 PolarHBondContact N-O 3.42Å; K216-D247 PolarHBondContact NZ-O 2.89Å; S243-D247 VanDerWaalsContact O-CG 3.28Å; S243-D247 PolarHBondContact O-N 2.92Å; I245-D247 VanDerWaalsContact C-N 3.29Å; I245-D247 PolarHBondContact O-N 3.03Å; D247-M249 VanDerWaalsContact C-N 3.33Å; D247-M249 PolarHBondContact O-N 2.75Å
248A97.5Very high95.6Very high1 Ų151.7 Ų51.71%0.00828%0.282CS..Hα-helixtrans-73.8-17.3-179.200000114.6K212 D244 I245 F246 F250 I322 I330K212-A248 HydrophobicContact CB-CB 4.29Å; K212-A248 WeakPolarHBondContact O-CA 3.21Å; K212-A248 PolarHBondContact O-N 3.39Å; D244-A248 PolarHBondContact O-N 2.77Å; I245-A248 PolarHBondContact O-N 3.41Å; I245-A248 VanDerWaalsContact O-N 3.07Å; F246-A248 VanDerWaalsContact C-N 3.27Å; F246-A248 PolarHBondContact O-N 3.47Å; A248-F250 PolarHBondContact O-N 3.49Å; A248-I322 HydrophobicContact CB-CD1 3.85Å; A248-I330 HydrophobicContact CB-CD1 3.74Å
249M97.8Very high96Very high2 Ų252.1 Ų52.11%0.0129%0.286CS..  trans-64.2135.3179.4-60.6-169.281.400111.9V214 K216 L224 I245 F246 D247 I272 W320 G321 I322V214-M249 WeakPolarHBondContact CB-O 3.28Å; K216-M249 WeakPolarHBondContact CE-O 3.41Å; K216-M249 PolarHBondContact NZ-O 2.92Å; L224-M249 HydrophobicContact CD1-SD 3.99Å; L224-M249 HydrophobicContact CD2-CE 4.42Å; L224-M249 HydrophobicContact CD2-SD 4.01Å; I245-M249 WeakPolarHBondContact O-CG 3.49Å; I245-M249 PolarHBondContact O-N 3.34Å; I245-M249 VanDerWaalsContact O-N 3.08Å; F246-M249 HydrophobicContact CD1-SD 4Å; F246-M249 PolarHBondContact O-N 2.87Å; D247-M249 VanDerWaalsContact C-N 3.33Å; D247-M249 PolarHBondContact O-N 2.75Å; M249-I272 HydrophobicContact CE-CD1 3.66Å; M249-I272 HydrophobicContact CE-CG1 4.13Å; M249-I272 HydrophobicContact SD-CD1 4.21Å; M249-W320 HydrophobicContact CB-CB 4.44Å; M249-W320 HydrophobicContact CB-CE3 4.19Å; M249-W320 HydrophobicContact CE-CB 3.5Å; M249-W320 VanDerWaalsContact CE-O 3.3Å; M249-W320 WeakPolarHBondContact CE-O 3.5Å; M249-W320 HydrophobicContact SD-CB 4.17Å; M249-G321 CarbonylContact C-O 3.53Å; M249-G321 WeakPolarHBondContact CA-O 3.2Å; M249-I322 HydrophobicContact CE-CG2 4.35Å; M249-I322 HydrophobicContact CG-CB 4.19Å
250F97.5Very high96.5Very high57 Ų5746.9 Ų46.925%0.2526%0.263CS..EExtended strand (participates in β ladder)trans-108.8146.2179.554.9-93.3000111.8A248 V252 G321A248-F250 PolarHBondContact O-N 3.49Å; F250-V252 HydrophobicContact CD2-CG2 3.78Å; F250-V252 HydrophobicContact CE2-CG2 3.7Å; F250-G321 WeakPolarHBondContact CD1-O 3.32Å; F250-G321 WeakPolarHBondContact CE1-O 3.12Å; F250-G321 PolarHBondContact N-O 3.25Å; F250-G321 PolarHBondContact O-N 3.36Å
251P97.7Very high96.8Very high72 Ų7244.1 Ų44.147%0.46825%0.245SC..EExtended strand (participates in β ladder)trans-76.7144.8179.332.3-33.9000110.8L319 W320P251-L319 CarbonylContact C-O 3.55Å; P251-L319 WeakPolarHBondContact CA-O 3.4Å; P251-W320 HydrophobicContact CB-CE3 4.22Å; P251-W320 HydrophobicContact CB-CH2 4.12Å; P251-W320 HydrophobicContact CB-CZ3 3.86Å; P251-W320 HydrophobicContact CG-CZ3 4.18Å
252V97.8Very high96.9Very high18 Ų1847.1 Ų47.111%0.10926%0.259CS..EExtended strand (participates in β ladder)trans-130.8131.6171.1-179.40000108.9F250 R254 Y271 L319F250-V252 HydrophobicContact CD2-CG2 3.78Å; F250-V252 HydrophobicContact CE2-CG2 3.7Å; V252-R254 HydrophobicContact CG1-CG 4.31Å; V252-Y271 HydrophobicContact CG2-CE1 4.05Å; V252-L319 HydrophobicContact CB-CB 4.26Å; V252-L319 PolarHBondContact N-O 2.89Å; V252-L319 PolarHBondContact O-N 2.78Å
253H98.1Very high97Very high94 Ų9446.5 Ų46.544%0.43526%0.259SS..EExtended strand (participates in β ladder)trans-114.7137.8174.4-124.567000110.1E316 V317H253-E316 IonicContact CD2-OE1 3.36Å; H253-E316 IonicContact NE2-OE1 2.75Å; H253-V317 WeakPolarHBondContact CA-O 3.46Å
254R98.1Very high97Very high105 Ų10546.4 Ų46.440%0.39627%0.266SS..EExtended strand (participates in β ladder)trans-141.5142.6177-68.2-64.8179.4-107.65.7110.5V252 D258 I260 A313 E316 V317V252-R254 HydrophobicContact CG1-CG 4.31Å; R254-D258 HydrophobicContact CB-CB 4Å; R254-D258 HydrophobicContact CG-CB 4.42Å; R254-I260 HydrophobicContact CB-CG1 4.46Å; R254-I260 HydrophobicContact CG-CG1 4.07Å; R254-A313 HydrophobicContact CB-CB 4.3Å; R254-E316 WeakPolarHBondContact O-CA 3.22Å; R254-V317 HydrophobicContact CB-CG2 3.75Å; R254-V317 PolarHBondContact N-O 3.37Å; R254-V317 VanDerWaalsContact N-O 3.07Å; R254-V317 PolarHBondContact O-N 3.41Å
255N98.4Very high96.9Very high99 Ų9950.1 Ų50.153%0.52929%0.285SS..  trans-81159.2176.4-59.6-49.1000110G257 D258 A313N255-G257 PolarHBondContact O-N 3.05Å; N255-D258 PolarHBondContact N-OD2 3.25Å; N255-D258 VanDerWaalsContact O-CB 3.28Å; N255-D258 WeakPolarHBondContact O-CB 3.41Å; N255-D258 PolarHBondContact O-N 2.85Å; N255-D258 VanDerWaalsContact O-N 3.09Å; N255-A313 WeakPolarHBondContact O-CB 3.47Å
256S98.1Very high96.6Very high78 Ų7856.3 Ų56.355%0.54531%0.314SS..THydrogen-bonded Turntrans-53.8132.9171.1178.50000110.8K314 T315S256-K314 PolarHBondContact OG-O 3.26Å; S256-T315 WeakPolarHBondContact CA-O 3.33Å; S256-T315 PolarHBondContact N-O 3.43Å
257G97.3Very high96.1Very high51 Ų5155.7 Ų55.753%0.52631%0.312SS..THydrogen-bonded Turntrans92-18-176.700000115.1N255 A313N255-G257 PolarHBondContact O-N 3.05Å; G257-A313 PolarHBondContact N-O 3.49Å
258D98.2Very high95.8Very high59 Ų5958 Ų5832%0.31632%0.324SS..  trans-64.5139.6-179.1-73.1-12.7000111.5R254 N255 K312 A313R254-D258 HydrophobicContact CB-CB 4Å; R254-D258 HydrophobicContact CG-CB 4.42Å; N255-D258 PolarHBondContact N-OD2 3.25Å; N255-D258 VanDerWaalsContact O-CB 3.28Å; N255-D258 WeakPolarHBondContact O-CB 3.41Å; N255-D258 PolarHBondContact O-N 2.85Å; N255-D258 VanDerWaalsContact O-N 3.09Å; D258-K312 CarbonylContact O-C 3.38Å; D258-K312 VanDerWaalsContact O-CA 3.3Å; D258-K312 WeakPolarHBondContact O-CA 3.45Å; D258-A313 PolarHBondContact O-N 3.33Å
259V97.6Very high95.7Very high67 Ų6759.6 Ų59.641%0.40633%0.332SS..EExtended strand (participates in β ladder)trans-81.4121.3171-177.50000109I261 Q262 T310 K312V259-I261 WeakPolarHBondContact CG1-O 3.2Å; V259-Q262 HydrophobicContact CG1-CB 4.14Å; V259-T310 HydrophobicContact CG1-CG2 3.97Å; V259-K312 HydrophobicContact CG2-CD 4.34Å; V259-K312 HydrophobicContact CG2-CG 4.15Å
260I97.1Very high95.6Very high22 Ų2259.5 Ų59.511%0.11333%0.332CS..EExtended strand (participates in β ladder)trans-89.9-46.5179.2-59153.1000110.4R254 Y271 V278 F296 V311 A313 V317 L319R254-I260 HydrophobicContact CB-CG1 4.46Å; R254-I260 HydrophobicContact CG-CG1 4.07Å; I260-Y271 HydrophobicContact CG2-CD2 4.42Å; I260-Y271 HydrophobicContact CG2-CE2 4.34Å; I260-V278 HydrophobicContact CD1-CB 4.36Å; I260-V278 HydrophobicContact CD1-CG1 3.54Å; I260-F296 HydrophobicContact CD1-CZ 4.35Å; I260-F296 HydrophobicContact CG2-CE2 4.04Å; I260-F296 HydrophobicContact CG2-CZ 3.97Å; I260-V311 HydrophobicContact CD1-CG1 4.18Å; I260-V311 PolarHBondContact N-O 2.98Å; I260-A313 HydrophobicContact CD1-CB 4.21Å; I260-V317 HydrophobicContact CD1-CG2 4.19Å; I260-L319 HydrophobicContact CD1-CD1 4.07Å; I260-L319 HydrophobicContact CG1-CD1 4.34Å; I260-L319 HydrophobicContact CG2-CD1 3.82Å
261I95.5Very high95.6Very high18 Ų1857.9 Ų57.99%0.09232%0.324CS..EExtended strand (participates in β ladder)trans-135.3142.7171.854162.3000108.9V259 Y271 F296 R307 T310 V311V259-I261 WeakPolarHBondContact CG1-O 3.2Å; I261-Y271 HydrophobicContact CG2-CD2 4.49Å; I261-Y271 HydrophobicContact CG2-CE2 3.96Å; I261-F296 HydrophobicContact CD1-CD2 4Å; I261-F296 HydrophobicContact CD1-CE2 4.34Å; I261-F296 HydrophobicContact CG1-CD2 4.43Å; I261-F296 HydrophobicContact CG1-CE2 4.28Å; I261-R307 HydrophobicContact CB-CG 4.27Å; I261-R307 HydrophobicContact CD1-CG 4.45Å; I261-T310 CarbonylContact O-C 3.48Å; I261-T310 VanDerWaalsContact O-CA 3.27Å; I261-T310 WeakPolarHBondContact O-CA 3.23Å; I261-T310 WeakPolarHBondContact O-CG2 3.47Å; I261-V311 HydrophobicContact CD1-CB 4.11Å; I261-V311 HydrophobicContact CD1-CG2 3.54Å; I261-V311 HydrophobicContact CG1-CB 3.5Å; I261-V311 VanDerWaalsContact CG1-CB 3.5Å; I261-V311 HydrophobicContact CG1-CG2 3.52Å; I261-V311 PolarHBondContact N-O 2.84Å; I261-V311 PolarHBondContact O-N 3.42Å
262Q96.6Very high95.5Very high71 Ų7154.6 Ų54.633%0.33230%0.303SS..  trans-112132.3-179.9179.462.247.900109.6V259 G264 D265 R307 T310V259-Q262 HydrophobicContact CG1-CB 4.14Å; Q262-G264 PolarHBondContact O-N 2.88Å; Q262-D265 WeakPolarHBondContact CB-OD2 3.46Å; Q262-D265 WeakPolarHBondContact O-CB 3.36Å; Q262-D265 PolarHBondContact O-N 3.15Å; Q262-R307 WeakPolarHBondContact O-CB 3.09Å; Q262-T310 PolarHBondContact NE2-OG1 3.42Å
263Q95.1Very high95.5Very high56 Ų5653.9 Ų53.926%0.26230%0.298SS..THydrogen-bonded Turntrans-56.5132.9177.3-173.3179.1-1200110.5N283 R307 T310Q263-N283 PolarHBondContact NE2-OD1 3.27Å; Q263-R307 WeakPolarHBondContact CA-O 3.32Å; Q263-R307 WeakPolarHBondContact CG-O 3.33Å; Q263-T310 WeakPolarHBondContact CB-OG1 3.38Å; Q263-T310 PolarHBondContact N-OG1 2.93Å
264G93.3Very high95.4Very high47 Ų4751.2 Ų51.249%0.48529%0.287SS..THydrogen-bonded Turntrans94.9-22.6-178.400000114.6Q262 R307Q262-G264 PolarHBondContact O-N 2.88Å; G264-R307 PolarHBondContact N-O 2.9Å
265D93.7Very high95.3Very high93 Ų9351.4 Ų51.450%0.49729%0.293SS..SBendtrans-69.6151.4178.1-70.73.6000111Q262 G267 P306 R307Q262-D265 WeakPolarHBondContact CB-OD2 3.46Å; Q262-D265 WeakPolarHBondContact O-CB 3.36Å; Q262-D265 PolarHBondContact O-N 3.15Å; D265-G267 PolarHBondContact O-N 2.85Å; D265-P306 CarbonylContact O-C 3.5Å; D265-P306 VanDerWaalsContact O-CA 3.26Å; D265-P306 WeakPolarHBondContact O-CA 3.1Å; D265-R307 WeakPolarHBondContact O-CG 3.39Å; D265-R307 PolarHBondContact O-N 2.77Å
266E90.2Very high95.3Very high130 Ų13047.1 Ų47.161%0.60727%0.272SS*.BIsolated β-bridgetrans-66.4128.5172-168.7168.1-171.300110.3
267G85.5Confident95.3Very high0 Ų046.9 Ų46.90%026%0.262CS..PPolyproline II helixtrans-96.5118.5-177.100000113.1D265 A300 T305 R307 R324D265-G267 PolarHBondContact O-N 2.85Å; G267-A300 WeakPolarHBondContact O-CB 3.39Å; G267-T305 PolarHBondContact N-O 3.43Å; G267-R307 VanDerWaalsContact CA-CZ 3.43Å; G267-R324 PolarHBondContact O-NH2 3.04Å
268D89.7Confident95.3Very high77 Ų7744.5 Ų44.541%0.41224%0.237SC..  trans-111.4-15.8179.7-58.8-26.9000114.4D323 R324D268-D323 CarbonylContact O-C 3.45Å; D268-D323 WeakPolarHBondContact O-CA 3.4Å; D268-R324 PolarHBondContact O-N 3.1Å; D268-R324 IonicContact OD1-NH2 2.71Å; D268-R324 PolarHBondContact OD1-NH2 2.88Å
269N95.6Very high95.3Very high35 Ų3543 Ų4319%0.18723%0.229CC..EExtended strand (participates in β ladder)trans-122146.1-172.7-61.7-38.2000112.6Y271 R307 I322 D323N269-Y271 HydrophobicContact CB-CD2 4.5Å; N269-Y271 HydrophobicContact CB-CE1 4.09Å; N269-Y271 HydrophobicContact CB-CE2 3.72Å; N269-Y271 VanDerWaalsContact CB-CZ 3.48Å; N269-Y271 WeakPolarHBondContact CB-OH 3.38Å; N269-Y271 PolarHBondContact ND2-OH 3.39Å; N269-R307 PolarHBondContact O-NH1 3.26Å; N269-R307 VanDerWaalsContact O-NH1 3.1Å; N269-R307 PolarHBondContact O-NH2 2.87Å; N269-I322 WeakPolarHBondContact CA-O 3.32Å; N269-D323 WeakPolarHBondContact OD1-CA 3.31Å; N269-D323 VanDerWaalsContact OD1-CB 3.31Å; N269-D323 WeakPolarHBondContact OD1-CB 3.46Å
270F96.5Very high95.3Very high0 Ų041 Ų410%022%0.216CC..EExtended strand (participates in β ladder)trans-103.6140.5163.7166-121.2000109.7I228 F234 I272 S295 F296 E298 L301 G321 I322I228-F270 HydrophobicContact CG2-CE1 4.18Å; I228-F270 HydrophobicContact CG2-CZ 4.27Å; F234-F270 HydrophobicContact CD2-CE1 4.47Å; F234-F270 AromaticContact CE2-CD1 3.85Å; F234-F270 HydrophobicContact CE2-CD1 3.85Å; F234-F270 AromaticContact CE2-CE1 3.4Å; F234-F270 HydrophobicContact CE2-CE1 3.4Å; F234-F270 VanDerWaalsContact CE2-CE1 3.4Å; F234-F270 HydrophobicContact CE2-CZ 4.02Å; F234-F270 AromaticContact CZ-CD1 3.68Å; F234-F270 HydrophobicContact CZ-CD1 3.68Å; F234-F270 AromaticContact CZ-CE1 3.55Å; F234-F270 HydrophobicContact CZ-CE1 3.55Å; F270-I272 HydrophobicContact CE1-CD1 3.91Å; F270-I272 HydrophobicContact CE1-CG1 3.69Å; F270-I272 HydrophobicContact CZ-CD1 4.32Å; F270-I272 HydrophobicContact CZ-CG1 3.75Å; F270-S295 VanDerWaalsContact CE2-CB 3.47Å; F270-S295 VanDerWaalsContact CZ-CB 3.49Å; F270-F296 VanDerWaalsContact CD2-O 3.3Å; F270-F296 WeakPolarHBondContact CD2-O 3.25Å; F270-E298 HydrophobicContact CD2-CB 3.74Å; F270-E298 HydrophobicContact CE2-CB 3.85Å; F270-E298 HydrophobicContact CG-CB 4.5Å; F270-L301 HydrophobicContact CB-CD1 3.64Å; F270-L301 HydrophobicContact CB-CD2 3.8Å; F270-L301 HydrophobicContact CB-CG 3.64Å; F270-L301 HydrophobicContact CD1-CD1 3.9Å; F270-L301 HydrophobicContact CG-CD1 3.96Å; F270-L301 HydrophobicContact CG-CG 4.44Å; F270-G321 CarbonylContact O-C 3.6Å; F270-G321 VanDerWaalsContact O-CA 3.25Å; F270-G321 WeakPolarHBondContact O-CA 3.35Å; F270-I322 HydrophobicContact CB-CG2 4.03Å; F270-I322 HydrophobicContact CD1-CG2 3.74Å; F270-I322 HydrophobicContact CG-CG2 4.38Å; F270-I322 PolarHBondContact N-O 3.17Å; F270-I322 PolarHBondContact O-N 2.63Å
271Y97.2Very high95.3Very high23 Ų2341.9 Ų41.99%0.0922%0.219CC..EExtended strand (participates in β ladder)trans-124.6139.3-177.2-60.9-75.1000112.5V252 I260 I261 N269 S295 F296 L319 W320V252-Y271 HydrophobicContact CG2-CE1 4.05Å; I260-Y271 HydrophobicContact CG2-CD2 4.42Å; I260-Y271 HydrophobicContact CG2-CE2 4.34Å; I261-Y271 HydrophobicContact CG2-CD2 4.49Å; I261-Y271 HydrophobicContact CG2-CE2 3.96Å; N269-Y271 HydrophobicContact CB-CD2 4.5Å; N269-Y271 HydrophobicContact CB-CE1 4.09Å; N269-Y271 HydrophobicContact CB-CE2 3.72Å; N269-Y271 VanDerWaalsContact CB-CZ 3.48Å; N269-Y271 WeakPolarHBondContact CB-OH 3.38Å; N269-Y271 PolarHBondContact ND2-OH 3.39Å; Y271-S295 CarbonylContact O-C 3.6Å; Y271-S295 VanDerWaalsContact O-CA 3.23Å; Y271-S295 WeakPolarHBondContact O-CA 3.35Å; Y271-S295 WeakPolarHBondContact O-CB 3.3Å; Y271-F296 HydrophobicContact CD2-CD2 4.21Å; Y271-F296 AromaticContact CD2-CE2 3.54Å; Y271-F296 HydrophobicContact CD2-CE2 3.54Å; Y271-F296 HydrophobicContact CD2-CZ 4.08Å; Y271-F296 HydrophobicContact CE2-CE2 4.49Å; Y271-F296 HydrophobicContact CG-CE2 4.01Å; Y271-F296 HydrophobicContact CG-CZ 4.09Å; Y271-F296 PolarHBondContact N-O 2.78Å; Y271-F296 VanDerWaalsContact N-O 3.08Å; Y271-F296 PolarHBondContact O-N 3.48Å; Y271-L319 HydrophobicContact CD1-CB 4.38Å; Y271-L319 HydrophobicContact CD1-CD1 4.31Å; Y271-L319 HydrophobicContact CG-CD1 4.41Å; Y271-W320 CarbonylContact C-O 3.52Å; Y271-W320 WeakPolarHBondContact CA-O 3.28Å
272I97Very high95.3Very high4 Ų443.7 Ų43.72%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-114.3135.8170.1-58.7170.6000108.5L224 A227 I228 M249 F270 D274 L319 W320L224-I272 HydrophobicContact CD2-CB 4.2Å; L224-I272 HydrophobicContact CD2-CD1 3.77Å; L224-I272 HydrophobicContact CD2-CG2 4.04Å; A227-I272 HydrophobicContact CB-CG2 3.7Å; I228-I272 HydrophobicContact CG2-CD1 3.33Å; I228-I272 HydrophobicContact CG2-CG1 4.14Å; M249-I272 HydrophobicContact CE-CD1 3.66Å; M249-I272 HydrophobicContact CE-CG1 4.13Å; M249-I272 HydrophobicContact SD-CD1 4.21Å; F270-I272 HydrophobicContact CE1-CD1 3.91Å; F270-I272 HydrophobicContact CE1-CG1 3.69Å; F270-I272 HydrophobicContact CZ-CD1 4.32Å; F270-I272 HydrophobicContact CZ-CG1 3.75Å; I272-D274 PolarHBondContact O-N 3.33Å; I272-L319 CarbonylContact O-C 3.49Å; I272-L319 WeakPolarHBondContact O-CA 3.43Å; I272-W320 PolarHBondContact N-O 3.35Å; I272-W320 PolarHBondContact O-N 3.18Å
273I97Very high95.1Very high2 Ų246 Ų461%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-85.8109.7-179.1-54.5165.7000109.1G276 V278 I290 G291 G293 G294 F296 L319I273-G276 WeakPolarHBondContact CG2-O 3.39Å; I273-V278 HydrophobicContact CD1-CG1 4.4Å; I273-V278 HydrophobicContact CD1-CG2 3.68Å; I273-I290 HydrophobicContact CD1-CB 3.89Å; I273-I290 HydrophobicContact CD1-CG2 3.53Å; I273-G291 WeakPolarHBondContact CD1-O 3.17Å; I273-G293 PolarHBondContact O-N 3.07Å; I273-G294 PolarHBondContact N-O 3.08Å; I273-F296 HydrophobicContact CD1-CD1 4.29Å; I273-F296 HydrophobicContact CD1-CE1 4.17Å; I273-F296 HydrophobicContact CG1-CD1 4.35Å; I273-F296 HydrophobicContact CG1-CE1 3.93Å; I273-L319 HydrophobicContact CB-CD2 4.11Å; I273-L319 HydrophobicContact CG1-CD2 3.74Å; I273-L319 HydrophobicContact CG2-CD2 4.21Å
274D95.7Very high95Very high39 Ų3949.5 Ų49.521%0.20926%0.264CS..EExtended strand (participates in β ladder)trans-83.7-39.4175.9-167.548.9000111.1I272 K318I272-D274 PolarHBondContact O-N 3.33Å; D274-K318 WeakPolarHBondContact CA-O 3.41Å; D274-K318 HydrophobicContact CB-CB 4.29Å; D274-K318 HydrophobicContact CB-CD 4.43Å; D274-K318 HydrophobicContact CB-CG 4.22Å; D274-K318 VanDerWaalsContact CB-O 3.31Å; D274-K318 WeakPolarHBondContact CB-O 3.39Å; D274-K318 PolarHBondContact N-O 2.95Å; D274-K318 VanDerWaalsContact OD2-CD 3.25Å; D274-K318 WeakPolarHBondContact OD2-CD 3.38Å; D274-K318 WeakPolarHBondContact OD2-CE 3.27Å; D274-K318 IonicContact OD2-NZ 3.61Å; D274-K318 PolarHBondContact OD2-NZ 3.32Å
275Q96.3Very high95Very high108 Ų10854.3 Ų54.351%0.50527%0.274SS..EExtended strand (participates in β ladder)trans-146.5141.8179.4-170.1-179.7-3.200110.9E292 V317 K318Q275-E292 WeakPolarHBondContact CA-OE1 3.37Å; Q275-V317 VanDerWaalsContact O-CA 3.27Å; Q275-V317 WeakPolarHBondContact O-CA 3.5Å; Q275-K318 HydrophobicContact CB-CB 3.87Å; Q275-K318 PolarHBondContact N-O 2.89Å; Q275-K318 VanDerWaalsContact N-O 3.1Å; Q275-K318 PolarHBondContact O-N 3.06Å
276G97.2Very high95.2Very high9 Ų956.2 Ų56.29%0.09328%0.275CS..SBendtrans88.8-167.3173.700000115.3I273 E292 T315I273-G276 WeakPolarHBondContact CG2-O 3.39Å; G276-E292 PolarHBondContact N-OE1 3.29Å; G276-E292 PolarHBondContact O-N 3.43Å; G276-T315 WeakPolarHBondContact CA-OG1 3.3Å
277E98.3Very high95.3Very high74 Ų7452.7 Ų52.735%0.34627%0.265SS..  trans-130.3148.8-176.2-61.4-176173.800112T289 I290 K314 T315 V317E277-T289 HydrophobicContact CB-CG2 4.05Å; E277-I290 WeakPolarHBondContact CA-O 3.32Å; E277-K314 HydrophobicContact CB-CB 4.18Å; E277-K314 HydrophobicContact CB-CD 4.14Å; E277-K314 WeakPolarHBondContact O-CB 3.38Å; E277-K314 PolarHBondContact O-N 2.94Å; E277-K314 WeakPolarHBondContact OE2-CD 3.21Å; E277-K314 WeakPolarHBondContact OE2-CE 3.16Å; E277-K314 IonicContact OE2-NZ 2.95Å; E277-K314 PolarHBondContact OE2-NZ 3.43Å; E277-T315 HydrophobicContact CB-CG2 4.42Å; E277-T315 PolarHBondContact N-OG1 3.26Å; E277-T315 PolarHBondContact O-N 3.16Å; E277-V317 VanDerWaalsContact O-CG1 3.24Å; E277-V317 WeakPolarHBondContact O-CG1 3.23Å
278V98.4Very high95.8Very high0 Ų053.8 Ų53.80%027%0.272CS..EExtended strand (participates in β ladder)trans-127.3143.4175.4-56.10000111.3I260 I273 T289 I290 F296 V311 K312 V317I260-V278 HydrophobicContact CD1-CB 4.36Å; I260-V278 HydrophobicContact CD1-CG1 3.54Å; I273-V278 HydrophobicContact CD1-CG1 4.4Å; I273-V278 HydrophobicContact CD1-CG2 3.68Å; V278-T289 CarbonylContact O-C 3.56Å; V278-T289 VanDerWaalsContact O-CA 3.29Å; V278-T289 WeakPolarHBondContact O-CA 3.41Å; V278-T289 WeakPolarHBondContact O-CG2 3.49Å; V278-I290 HydrophobicContact CG2-CB 3.99Å; V278-I290 PolarHBondContact N-O 2.89Å; V278-I290 PolarHBondContact O-N 3.36Å; V278-F296 HydrophobicContact CG1-CE1 4.48Å; V278-F296 HydrophobicContact CG2-CD1 4.32Å; V278-F296 HydrophobicContact CG2-CE1 4.08Å; V278-V311 HydrophobicContact CB-CG1 3.61Å; V278-V311 HydrophobicContact CG1-CG1 4.26Å; V278-V311 HydrophobicContact CG2-CG1 3.62Å; V278-K312 CarbonylContact C-O 3.59Å; V278-K312 VanDerWaalsContact CA-O 3.25Å; V278-K312 WeakPolarHBondContact CA-O 3.18Å; V278-K312 WeakPolarHBondContact CB-O 3.25Å; V278-V317 HydrophobicContact CG1-CG1 3.99Å
279D98.3Very high96.2Very high28 Ų2852.1 Ų52.115%0.1527%0.265CS..EExtended strand (participates in β ladder)trans-101.6135.4174.3-72.7-29.3000111F281 Y286 T289 V311 K312D279-F281 HydrophobicContact CB-CD2 4.42Å; D279-F281 HydrophobicContact CB-CE2 3.5Å; D279-F281 HydrophobicContact CB-CZ 3.86Å; D279-Y286 HydrophobicContact CB-CD2 4.39Å; D279-Y286 HydrophobicContact CB-CE2 4.21Å; D279-T289 WeakPolarHBondContact OD1-CB 3.49Å; D279-T289 WeakPolarHBondContact OD1-CG2 3.46Å; D279-T289 PolarHBondContact OD1-OG1 3.43Å; D279-V311 CarbonylContact O-C 3.51Å; D279-V311 WeakPolarHBondContact O-CA 3.31Å; D279-K312 PolarHBondContact N-O 2.75Å; D279-K312 PolarHBondContact O-N 3.44Å
280I97.7Very high96.2Very high26 Ų2652 Ų5213%0.13326%0.264CS..EExtended strand (participates in β ladder)trans-101.2131.9177.2-49.1179.3000109.6S287 S288 I290 A309 T310 V311I280-S287 PolarHBondContact O-N 3.26Å; I280-S288 WeakPolarHBondContact CD1-OG 3.3Å; I280-S288 PolarHBondContact N-O 3.21Å; I280-I290 HydrophobicContact CD1-CD1 3.49Å; I280-I290 VanDerWaalsContact CD1-CD1 3.49Å; I280-I290 HydrophobicContact CD1-CG1 3.83Å; I280-I290 HydrophobicContact CG1-CD1 4.26Å; I280-I290 HydrophobicContact CG1-CG1 4.37Å; I280-A309 HydrophobicContact CG2-CB 3.49Å; I280-A309 VanDerWaalsContact CG2-CB 3.49Å; I280-T310 CarbonylContact C-O 3.38Å; I280-T310 WeakPolarHBondContact CA-O 3.47Å; I280-V311 HydrophobicContact CG1-CG2 4.29Å; I280-V311 HydrophobicContact CG2-CG2 4.49Å
281F97Very high96.2Very high39 Ų3953.3 Ų53.317%0.17128%0.278CS..EExtended strand (participates in β ladder)trans-122.2128.2177.2-58.5-96.2000110.6D279 E285 Y286 A309 T310 K312D279-F281 HydrophobicContact CB-CD2 4.42Å; D279-F281 HydrophobicContact CB-CE2 3.5Å; D279-F281 HydrophobicContact CB-CZ 3.86Å; F281-E285 CarbonylContact C-O 3.49Å; F281-E285 WeakPolarHBondContact CA-O 3.34Å; F281-Y286 HydrophobicContact CE1-CD2 4.34Å; F281-Y286 HydrophobicContact CZ-CD2 4.45Å; F281-A309 WeakPolarHBondContact O-CA 3.49Å; F281-A309 WeakPolarHBondContact O-CB 3.38Å; F281-T310 PolarHBondContact N-O 2.89Å; F281-T310 PolarHBondContact O-N 2.9Å; F281-K312 HydrophobicContact CD2-CD 4.2Å; F281-K312 HydrophobicContact CD2-CG 4.12Å; F281-K312 HydrophobicContact CE2-CB 4.07Å; F281-K312 HydrophobicContact CE2-CD 3.85Å; F281-K312 HydrophobicContact CE2-CG 3.94Å
282L94.3Very high96.1Very high56 Ų5658.3 Ų58.329%0.29330%0.302SS..EExtended strand (participates in β ladder)trans-110.3120173.5-70.6171.3000108.3L148 N284 E285 A308 A309L148-L282 HydrophobicContact CD1-CD1 4.48Å; L282-N284 PolarHBondContact O-N 3.19Å; L282-E285 PolarHBondContact N-O 2.91Å; L282-E285 WeakPolarHBondContact O-CB 3.25Å; L282-E285 PolarHBondContact O-N 3.42Å; L282-A308 WeakPolarHBondContact CD2-O 3.47Å; L282-A309 HydrophobicContact CD2-CB 3.55Å; L282-A309 HydrophobicContact CG-CB 4.28Å
283N93.4Very high95.8Very high121 Ų12160 Ų6065%0.64732%0.321SS*.THydrogen-bonded Turntrans52.539.5-175.7-53.2-39.9000112.8Q263 E285Q263-N283 PolarHBondContact NE2-OD1 3.27Å; N283-E285 PolarHBondContact O-N 3.1Å
284N91.7Very high95.7Very high128 Ų12860.9 Ų60.968%0.68433%0.329SS*.THydrogen-bonded Turntrans65.55.5-174.4-55.6-45.8000116L282L282-N284 PolarHBondContact O-N 3.19Å
285E95Very high95.7Very high149 Ų14960.5 Ų60.570%0.69633%0.33SS*.EExtended strand (participates in β ladder)trans-92.9135171.2-63-173.5158.300110.1F281 L282 N283 S287F281-E285 CarbonylContact C-O 3.49Å; F281-E285 WeakPolarHBondContact CA-O 3.34Å; L282-E285 PolarHBondContact N-O 2.91Å; L282-E285 WeakPolarHBondContact O-CB 3.25Å; L282-E285 PolarHBondContact O-N 3.42Å; N283-E285 PolarHBondContact O-N 3.1Å; E285-S287 PolarHBondContact O-N 2.99Å
286Y96.4Very high95.6Very high133 Ų13355.9 Ų55.952%0.52231%0.308SS..EExtended strand (participates in β ladder)trans-61.1130.2175.2171.5-92.4000110.1D279 F281 T289D279-Y286 HydrophobicContact CB-CD2 4.39Å; D279-Y286 HydrophobicContact CB-CE2 4.21Å; F281-Y286 HydrophobicContact CE1-CD2 4.34Å; F281-Y286 HydrophobicContact CZ-CD2 4.45Å; Y286-T289 PolarHBondContact OH-N 2.71Å; Y286-T289 PolarHBondContact OH-OG1 3.14Å
287S94.2Very high95.3Very high56 Ų5656.3 Ų56.339%0.39231%0.312SS..EExtended strand (participates in β ladder)trans-108.2-54.6178.9-177.80000111.8I280 E285I280-S287 PolarHBondContact O-N 3.26Å; E285-S287 PolarHBondContact O-N 2.99Å
288S95.8Very high95Very high23 Ų2355.9 Ų55.916%0.16131%0.31CS..EExtended strand (participates in β ladder)trans-167.5162.3-173.8560000111.7I280I280-S288 WeakPolarHBondContact CD1-OG 3.3Å; I280-S288 PolarHBondContact N-O 3.21Å
289T97.5Very high94.5Very high41 Ų4158.7 Ų58.725%0.25233%0.325SS..EExtended strand (participates in β ladder)trans-107.7140171.1-53.90000110E277 V278 D279 Y286 K314E277-T289 HydrophobicContact CB-CG2 4.05Å; V278-T289 CarbonylContact O-C 3.56Å; V278-T289 VanDerWaalsContact O-CA 3.29Å; V278-T289 WeakPolarHBondContact O-CA 3.41Å; V278-T289 WeakPolarHBondContact O-CG2 3.49Å; D279-T289 WeakPolarHBondContact OD1-CB 3.49Å; D279-T289 WeakPolarHBondContact OD1-CG2 3.46Å; D279-T289 PolarHBondContact OD1-OG1 3.43Å; Y286-T289 PolarHBondContact OH-N 2.71Å; Y286-T289 PolarHBondContact OH-OG1 3.14Å; T289-K314 HydrophobicContact CG2-CD 3.9Å
290I95.9Very high94.2Very high33 Ų3357.4 Ų57.417%0.16932%0.319CS..EExtended strand (participates in β ladder)trans-115.5129.6170.9-52.9177.2000108.5I273 E277 V278 I280 F296I273-I290 HydrophobicContact CD1-CB 3.89Å; I273-I290 HydrophobicContact CD1-CG2 3.53Å; E277-I290 WeakPolarHBondContact CA-O 3.32Å; V278-I290 HydrophobicContact CG2-CB 3.99Å; V278-I290 PolarHBondContact N-O 2.89Å; V278-I290 PolarHBondContact O-N 3.36Å; I280-I290 HydrophobicContact CD1-CD1 3.49Å; I280-I290 VanDerWaalsContact CD1-CD1 3.49Å; I280-I290 HydrophobicContact CD1-CG1 3.83Å; I280-I290 HydrophobicContact CG1-CD1 4.26Å; I280-I290 HydrophobicContact CG1-CG1 4.37Å; I290-F296 HydrophobicContact CD1-CB 4.38Å
291G96.1Very high93.8Very high28 Ų2856.2 Ų56.229%0.28931%0.312SS..  trans-100.5-168176.300000114.3I273 G294I273-G291 WeakPolarHBondContact CD1-O 3.17Å; G291-G294 PolarHBondContact O-N 3.39Å
292E94.5Very high93.4Very high128 Ų12856.1 Ų56.160%0.59831%0.313SS*.THydrogen-bonded Turntrans-52.6138.4-179.7-61-174.4171.100113.3Q275 G276 G294Q275-E292 WeakPolarHBondContact CA-OE1 3.37Å; G276-E292 PolarHBondContact N-OE1 3.29Å; G276-E292 PolarHBondContact O-N 3.43Å; E292-G294 PolarHBondContact O-N 3.16Å
293G91.9Very high92.9Very high40 Ų4055.3 Ų55.341%0.41231%0.307SS..THydrogen-bonded Turntrans78.4-7.2-174.900000114.4A227 I273A227-G293 WeakPolarHBondContact CB-O 3.42Å; I273-G293 PolarHBondContact O-N 3.07Å
294G93.9Very high92.3Very high19 Ų1950.8 Ų50.820%0.19629%0.289CS..  trans-75168.5169.200000112.9I273 G291 E292I273-G294 PolarHBondContact N-O 3.08Å; G291-G294 PolarHBondContact O-N 3.39Å; E292-G294 PolarHBondContact O-N 3.16Å
295S95.2Very high91.8Very high32 Ų3245.9 Ų45.922%0.22426%0.263CS..EExtended strand (participates in β ladder)trans-147.9157.518072.60000111.2F270 Y271F270-S295 VanDerWaalsContact CE2-CB 3.47Å; F270-S295 VanDerWaalsContact CZ-CB 3.49Å; Y271-S295 CarbonylContact O-C 3.6Å; Y271-S295 VanDerWaalsContact O-CA 3.23Å; Y271-S295 WeakPolarHBondContact O-CA 3.35Å; Y271-S295 WeakPolarHBondContact O-CB 3.3Å
296F94.4Very high91.6Very high11 Ų1143.1 Ų43.15%0.04826%0.258CS..EExtended strand (participates in β ladder)trans-154.4154.2179.658-89.9000112.4I260 I261 F270 Y271 I273 V278 I290 V311 L319I260-F296 HydrophobicContact CD1-CZ 4.35Å; I260-F296 HydrophobicContact CG2-CE2 4.04Å; I260-F296 HydrophobicContact CG2-CZ 3.97Å; I261-F296 HydrophobicContact CD1-CD2 4Å; I261-F296 HydrophobicContact CD1-CE2 4.34Å; I261-F296 HydrophobicContact CG1-CD2 4.43Å; I261-F296 HydrophobicContact CG1-CE2 4.28Å; F270-F296 VanDerWaalsContact CD2-O 3.3Å; F270-F296 WeakPolarHBondContact CD2-O 3.25Å; Y271-F296 HydrophobicContact CD2-CD2 4.21Å; Y271-F296 AromaticContact CD2-CE2 3.54Å; Y271-F296 HydrophobicContact CD2-CE2 3.54Å; Y271-F296 HydrophobicContact CD2-CZ 4.08Å; Y271-F296 HydrophobicContact CE2-CE2 4.49Å; Y271-F296 HydrophobicContact CG-CE2 4.01Å; Y271-F296 HydrophobicContact CG-CZ 4.09Å; Y271-F296 PolarHBondContact N-O 2.78Å; Y271-F296 VanDerWaalsContact N-O 3.08Å; Y271-F296 PolarHBondContact O-N 3.48Å; I273-F296 HydrophobicContact CD1-CD1 4.29Å; I273-F296 HydrophobicContact CD1-CE1 4.17Å; I273-F296 HydrophobicContact CG1-CD1 4.35Å; I273-F296 HydrophobicContact CG1-CE1 3.93Å; V278-F296 HydrophobicContact CG1-CE1 4.48Å; V278-F296 HydrophobicContact CG2-CD1 4.32Å; V278-F296 HydrophobicContact CG2-CE1 4.08Å; I290-F296 HydrophobicContact CD1-CB 4.38Å; F296-V311 HydrophobicContact CD2-CG1 4.45Å; F296-V311 HydrophobicContact CD2-CG2 4.19Å; F296-V311 HydrophobicContact CE1-CG1 4.35Å; F296-V311 HydrophobicContact CE2-CB 4.35Å; F296-V311 HydrophobicContact CE2-CG1 4.14Å; F296-V311 HydrophobicContact CE2-CG2 4.48Å; F296-V311 HydrophobicContact CZ-CG1 4.09Å; F296-L319 HydrophobicContact CE1-CD2 4.46Å; F296-L319 HydrophobicContact CZ-CD1 4.06Å
297G92.2Very high91.5Very high17 Ų1737.8 Ų37.818%0.17524%0.237CC..  trans83.920.2173.300000114L299 A300 R307G297-L299 PolarHBondContact O-N 3.23Å; G297-A300 WeakPolarHBondContact O-CB 3.08Å; G297-A300 PolarHBondContact O-N 3.29Å; G297-A300 VanDerWaalsContact O-N 3.16Å; G297-R307 PolarHBondContact O-NH1 3.46Å
298E91.4Very high91.3Very high65 Ų6539 Ų3930%0.30425%0.25SS..G310 helixtrans-59.8-30.3-177.264-84.4-160.100113.4L233 F270 A300 L301L233-E298 HydrophobicContact CD1-CB 4.16Å; L233-E298 VanDerWaalsContact CD1-O 3.22Å; L233-E298 WeakPolarHBondContact CD1-O 3.41Å; F270-E298 HydrophobicContact CD2-CB 3.74Å; F270-E298 HydrophobicContact CE2-CB 3.85Å; F270-E298 HydrophobicContact CG-CB 4.5Å; E298-A300 PolarHBondContact O-N 3.5Å; E298-A300 VanDerWaalsContact O-N 3.16Å; E298-L301 WeakPolarHBondContact O-CB 3.23Å; E298-L301 PolarHBondContact O-N 3.42Å
299L88.6Confident91.3Very high60 Ų6038.6 Ų38.631%0.31425%0.248SC..G310 helixtrans-60.6-28178.5-166.263000112.6G297 L301 I302 Y303 T305G297-L299 PolarHBondContact O-N 3.23Å; L299-L301 PolarHBondContact O-N 2.87Å; L299-L301 VanDerWaalsContact O-N 3.12Å; L299-I302 HydrophobicContact CD1-CD1 4.26Å; L299-I302 PolarHBondContact O-N 2.92Å; L299-I302 VanDerWaalsContact O-N 3.15Å; L299-Y303 HydrophobicContact CD1-CE1 3.9Å; L299-Y303 HydrophobicContact CG-CE1 4.45Å; L299-T305 HydrophobicContact CD2-CG2 4.12Å
300A90.3Very high91.3Very high1 Ų136.7 Ų36.71%0.00824%0.236CC..G310 helixtrans-61.4-18176.200000113.6G267 G297 E298 I302 R324G267-A300 WeakPolarHBondContact O-CB 3.39Å; G297-A300 WeakPolarHBondContact O-CB 3.08Å; G297-A300 PolarHBondContact O-N 3.29Å; G297-A300 VanDerWaalsContact O-N 3.16Å; E298-A300 PolarHBondContact O-N 3.5Å; E298-A300 VanDerWaalsContact O-N 3.16Å; A300-I302 VanDerWaalsContact C-N 3.35Å; A300-R324 WeakPolarHBondContact O-CB 3.47Å; A300-R324 WeakPolarHBondContact O-CG 3.4Å; A300-R324 PolarHBondContact O-NE 3.11Å
301L91.2Very high91.4Very high1 Ų135.2 Ų35.21%0.00523%0.229CC..G310 helixtrans-79.5-17178.6-62.8-177.5000113.7L233 F234 F270 E298 L299 I322 R324 Y327L233-L301 HydrophobicContact CD1-CB 4.04Å; L233-L301 HydrophobicContact CD1-CD1 4.24Å; F234-L301 HydrophobicContact CE2-CD1 4.12Å; F234-L301 HydrophobicContact CZ-CD1 3.73Å; F270-L301 HydrophobicContact CB-CD1 3.64Å; F270-L301 HydrophobicContact CB-CD2 3.8Å; F270-L301 HydrophobicContact CB-CG 3.64Å; F270-L301 HydrophobicContact CD1-CD1 3.9Å; F270-L301 HydrophobicContact CG-CD1 3.96Å; F270-L301 HydrophobicContact CG-CG 4.44Å; E298-L301 WeakPolarHBondContact O-CB 3.23Å; E298-L301 PolarHBondContact O-N 3.42Å; L299-L301 PolarHBondContact O-N 2.87Å; L299-L301 VanDerWaalsContact O-N 3.12Å; L301-I322 HydrophobicContact CD1-CG2 4.3Å; L301-I322 HydrophobicContact CD2-CG2 4.13Å; L301-R324 WeakPolarHBondContact O-CG 3.47Å; L301-Y327 HydrophobicContact CB-CD1 3.92Å; L301-Y327 HydrophobicContact CB-CE1 4.17Å; L301-Y327 HydrophobicContact CB-CG 4.25Å; L301-Y327 HydrophobicContact CD1-CD2 3.95Å; L301-Y327 HydrophobicContact CD1-CE2 4.14Å; L301-Y327 HydrophobicContact CD1-CG 4.15Å; L301-Y327 HydrophobicContact CD2-CG 4.27Å; L301-Y327 HydrophobicContact CG-CG 4.46Å
302I87.9Confident91.5Very high36 Ų3637.4 Ų37.419%0.18523%0.231CC..THydrogen-bonded Turntrans-96.5-51.5-178.5-43.8177000110.3I135 L143 L233 L299 A300I135-I302 HydrophobicContact CD1-CD1 4.02Å; I135-I302 HydrophobicContact CD1-CG1 4.11Å; I135-I302 HydrophobicContact CD1-CG2 3.67Å; L143-I302 HydrophobicContact CD1-CD1 4.3Å; L233-I302 HydrophobicContact CD1-CD1 4.39Å; L233-I302 HydrophobicContact CD1-CG1 4.07Å; L233-I302 HydrophobicContact CD2-CD1 3.79Å; L233-I302 HydrophobicContact CD2-CG1 3.97Å; L299-I302 HydrophobicContact CD1-CD1 4.26Å; L299-I302 PolarHBondContact O-N 2.92Å; L299-I302 VanDerWaalsContact O-N 3.15Å; A300-I302 VanDerWaalsContact C-N 3.35Å
303Y84.6Confident91.7Very high40 Ų4031.4 Ų31.416%0.15720%0.203CC..SBendtrans-154.4164-176.855.1-87.3000112.1V196 L299 T305V196-Y303 HydrophobicContact CB-CD2 3.65Å; V196-Y303 HydrophobicContact CB-CE2 3.54Å; V196-Y303 HydrophobicContact CB-CG 4.34Å; V196-Y303 HydrophobicContact CG1-CD2 4.09Å; V196-Y303 HydrophobicContact CG1-CE2 3.59Å; V196-Y303 HydrophobicContact CG2-CD1 4.41Å; V196-Y303 HydrophobicContact CG2-CD2 4.02Å; V196-Y303 HydrophobicContact CG2-CE1 4.17Å; V196-Y303 HydrophobicContact CG2-CE2 3.65Å; V196-Y303 HydrophobicContact CG2-CG 4.39Å; L299-Y303 HydrophobicContact CD1-CE1 3.9Å; L299-Y303 HydrophobicContact CG-CE1 4.45Å; Y303-T305 HydrophobicContact CD2-CG2 3.24Å; Y303-T305 HydrophobicContact CE2-CG2 2.93Å; Y303-T305 HydrophobicContact CG-CG2 4.42Å; Y303-T305 PolarHBondContact O-N 2.7Å; Y303-T305 VanDerWaalsContact O-N 3.17Å
304G80.7Confident92Very high26 Ų2633.8 Ų33.827%0.26820%0.202SC..  trans-70.1106.1176.400000110.9R324G304-R324 VanDerWaalsContact CA-CZ 3.45Å
305T80.2Confident92.2Very high24 Ų2435.4 Ų35.415%0.14721%0.208CC..  trans-122.6142.9168.455.80000111.2G267 L299 Y303 R307G267-T305 PolarHBondContact N-O 3.43Å; L299-T305 HydrophobicContact CD2-CG2 4.12Å; Y303-T305 HydrophobicContact CD2-CG2 3.24Å; Y303-T305 HydrophobicContact CE2-CG2 2.93Å; Y303-T305 HydrophobicContact CG-CG2 4.42Å; Y303-T305 PolarHBondContact O-N 2.7Å; Y303-T305 VanDerWaalsContact O-N 3.17Å; T305-R307 PolarHBondContact O-N 2.89Å
306P90.4Very high92.3Very high91 Ų9139.5 Ų39.559%0.59122%0.224SC*.BIsolated β-bridgetrans-50.6132.9160.8-26.135.8000110.5D265 A308D265-P306 CarbonylContact O-C 3.5Å; D265-P306 VanDerWaalsContact O-CA 3.26Å; D265-P306 WeakPolarHBondContact O-CA 3.1Å; P306-A308 PolarHBondContact O-N 3.39Å
307R94.4Very high92.5Very high22 Ų2239 Ų398%0.08322%0.222CC..  trans-57.2128.4175.6-66.4-62.8-171.1179.61.5109.5I261 Q262 Q263 G264 D265 G267 N269 G297 T305 A309I261-R307 HydrophobicContact CB-CG 4.27Å; I261-R307 HydrophobicContact CD1-CG 4.45Å; Q262-R307 WeakPolarHBondContact O-CB 3.09Å; Q263-R307 WeakPolarHBondContact CA-O 3.32Å; Q263-R307 WeakPolarHBondContact CG-O 3.33Å; G264-R307 PolarHBondContact N-O 2.9Å; D265-R307 WeakPolarHBondContact O-CG 3.39Å; D265-R307 PolarHBondContact O-N 2.77Å; G267-R307 VanDerWaalsContact CA-CZ 3.43Å; N269-R307 PolarHBondContact O-NH1 3.26Å; N269-R307 VanDerWaalsContact O-NH1 3.1Å; N269-R307 PolarHBondContact O-NH2 2.87Å; G297-R307 PolarHBondContact O-NH1 3.46Å; T305-R307 PolarHBondContact O-N 2.89Å; R307-A309 VanDerWaalsContact C-N 3.28Å; R307-A309 PolarHBondContact O-N 3.42Å
308A91.5Very high92.8Very high81 Ų8140.8 Ų40.867%0.66923%0.225SC*.SBendtrans-71.8-22.5-179.500000113.3L282 P306L282-A308 WeakPolarHBondContact CD2-O 3.47Å; P306-A308 PolarHBondContact O-N 3.39Å
309A94.8Very high93.1Very high14 Ų1437.7 Ų37.712%0.11621%0.21CC..SBendtrans-145.7156.9-17600000111.1I280 F281 L282 R307I280-A309 HydrophobicContact CG2-CB 3.49Å; I280-A309 VanDerWaalsContact CG2-CB 3.49Å; F281-A309 WeakPolarHBondContact O-CA 3.49Å; F281-A309 WeakPolarHBondContact O-CB 3.38Å; L282-A309 HydrophobicContact CD2-CB 3.55Å; L282-A309 HydrophobicContact CG-CB 4.28Å; R307-A309 VanDerWaalsContact C-N 3.28Å; R307-A309 PolarHBondContact O-N 3.42Å
310T97.3Very high93.5Very high1 Ų135.4 Ų35.41%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-88.2135.3166.6-64.30000108.5V259 I261 Q262 Q263 I280 F281 K312V259-T310 HydrophobicContact CG1-CG2 3.97Å; I261-T310 CarbonylContact O-C 3.48Å; I261-T310 VanDerWaalsContact O-CA 3.27Å; I261-T310 WeakPolarHBondContact O-CA 3.23Å; I261-T310 WeakPolarHBondContact O-CG2 3.47Å; Q262-T310 PolarHBondContact NE2-OG1 3.42Å; Q263-T310 WeakPolarHBondContact CB-OG1 3.38Å; Q263-T310 PolarHBondContact N-OG1 2.93Å; I280-T310 CarbonylContact C-O 3.38Å; I280-T310 WeakPolarHBondContact CA-O 3.47Å; F281-T310 PolarHBondContact N-O 2.89Å; F281-T310 PolarHBondContact O-N 2.9Å; T310-K312 HydrophobicContact CG2-CG 4.06Å
311V97.9Very high93.9Very high3 Ų335.3 Ų35.32%0.01820%0.197CC..EExtended strand (participates in β ladder)trans-119.6125.7174.9-178.80000108.6I260 I261 V278 D279 I280 F296I260-V311 HydrophobicContact CD1-CG1 4.18Å; I260-V311 PolarHBondContact N-O 2.98Å; I261-V311 HydrophobicContact CD1-CB 4.11Å; I261-V311 HydrophobicContact CD1-CG2 3.54Å; I261-V311 HydrophobicContact CG1-CB 3.5Å; I261-V311 VanDerWaalsContact CG1-CB 3.5Å; I261-V311 HydrophobicContact CG1-CG2 3.52Å; I261-V311 PolarHBondContact N-O 2.84Å; I261-V311 PolarHBondContact O-N 3.42Å; V278-V311 HydrophobicContact CB-CG1 3.61Å; V278-V311 HydrophobicContact CG1-CG1 4.26Å; V278-V311 HydrophobicContact CG2-CG1 3.62Å; D279-V311 CarbonylContact O-C 3.51Å; D279-V311 WeakPolarHBondContact O-CA 3.31Å; I280-V311 HydrophobicContact CG1-CG2 4.29Å; I280-V311 HydrophobicContact CG2-CG2 4.49Å; F296-V311 HydrophobicContact CD2-CG1 4.45Å; F296-V311 HydrophobicContact CD2-CG2 4.19Å; F296-V311 HydrophobicContact CE1-CG1 4.35Å; F296-V311 HydrophobicContact CE2-CB 4.35Å; F296-V311 HydrophobicContact CE2-CG1 4.14Å; F296-V311 HydrophobicContact CE2-CG2 4.48Å; F296-V311 HydrophobicContact CZ-CG1 4.09Å
312K98.2Very high94.2Very high73 Ų7335.3 Ų35.332%0.31720%0.197SC..EExtended strand (participates in β ladder)trans-117.6142.9179.8-57.1-172.9-178.9174.80110.2D258 V259 V278 D279 F281 T310 K314D258-K312 CarbonylContact O-C 3.38Å; D258-K312 VanDerWaalsContact O-CA 3.3Å; D258-K312 WeakPolarHBondContact O-CA 3.45Å; V259-K312 HydrophobicContact CG2-CD 4.34Å; V259-K312 HydrophobicContact CG2-CG 4.15Å; V278-K312 CarbonylContact C-O 3.59Å; V278-K312 VanDerWaalsContact CA-O 3.25Å; V278-K312 WeakPolarHBondContact CA-O 3.18Å; V278-K312 WeakPolarHBondContact CB-O 3.25Å; D279-K312 PolarHBondContact N-O 2.75Å; D279-K312 PolarHBondContact O-N 3.44Å; F281-K312 HydrophobicContact CD2-CD 4.2Å; F281-K312 HydrophobicContact CD2-CG 4.12Å; F281-K312 HydrophobicContact CE2-CB 4.07Å; F281-K312 HydrophobicContact CE2-CD 3.85Å; F281-K312 HydrophobicContact CE2-CG 3.94Å; T310-K312 HydrophobicContact CG2-CG 4.06Å; K312-K314 PolarHBondContact O-N 3.39Å
313A98.6Very high94.5Very high3 Ų334.9 Ų34.93%0.02520%0.195CC..EExtended strand (participates in β ladder)trans-66.4119172.600000109.3R254 N255 G257 D258 I260 T315 V317R254-A313 HydrophobicContact CB-CB 4.3Å; N255-A313 WeakPolarHBondContact O-CB 3.47Å; G257-A313 PolarHBondContact N-O 3.49Å; D258-A313 PolarHBondContact O-N 3.33Å; I260-A313 HydrophobicContact CD1-CB 4.21Å; A313-T315 WeakPolarHBondContact CB-O 3.46Å; A313-V317 HydrophobicContact CB-CG1 4.32Å; A313-V317 HydrophobicContact CB-CG2 3.78Å
314K98Very high95Very high90 Ų9033.3 Ų33.339%0.39119%0.189SC..SBendtrans-81.1-42175.2-178.5-177.3173.1-165.50109.9S256 E277 T289 K312S256-K314 PolarHBondContact OG-O 3.26Å; E277-K314 HydrophobicContact CB-CB 4.18Å; E277-K314 HydrophobicContact CB-CD 4.14Å; E277-K314 WeakPolarHBondContact O-CB 3.38Å; E277-K314 PolarHBondContact O-N 2.94Å; E277-K314 WeakPolarHBondContact OE2-CD 3.21Å; E277-K314 WeakPolarHBondContact OE2-CE 3.16Å; E277-K314 IonicContact OE2-NZ 2.95Å; E277-K314 PolarHBondContact OE2-NZ 3.43Å; T289-K314 HydrophobicContact CG2-CD 3.9Å; K312-K314 PolarHBondContact O-N 3.39Å
315T98.2Very high95.6Very high53 Ų5334.5 Ų34.533%0.32519%0.189SC..SBendtrans-110.5-178.6170.765.10000110.4S256 G276 E277 A313 V317S256-T315 WeakPolarHBondContact CA-O 3.33Å; S256-T315 PolarHBondContact N-O 3.43Å; G276-T315 WeakPolarHBondContact CA-OG1 3.3Å; E277-T315 HydrophobicContact CB-CG2 4.42Å; E277-T315 PolarHBondContact N-OG1 3.26Å; E277-T315 PolarHBondContact O-N 3.16Å; A313-T315 WeakPolarHBondContact CB-O 3.46Å; T315-V317 PolarHBondContact O-N 3.2Å
316E98.3Very high96.3Very high117 Ų11733.4 Ų33.455%0.54718%0.182SC..  trans-59.5130.6156.7-174.1176-167.800108.2H253 R254H253-E316 IonicContact CD2-OE1 3.36Å; H253-E316 IonicContact NE2-OE1 2.75Å; R254-E316 WeakPolarHBondContact O-CA 3.22Å
317V98.2Very high96.6Very high0 Ų029.7 Ų29.70%016%0.156CC..EExtended strand (participates in β ladder)trans-127.2139.7-175.3-630000112.2H253 R254 I260 Q275 E277 V278 A313 T315 L319H253-V317 WeakPolarHBondContact CA-O 3.46Å; R254-V317 HydrophobicContact CB-CG2 3.75Å; R254-V317 PolarHBondContact N-O 3.37Å; R254-V317 VanDerWaalsContact N-O 3.07Å; R254-V317 PolarHBondContact O-N 3.41Å; I260-V317 HydrophobicContact CD1-CG2 4.19Å; Q275-V317 VanDerWaalsContact O-CA 3.27Å; Q275-V317 WeakPolarHBondContact O-CA 3.5Å; E277-V317 VanDerWaalsContact O-CG1 3.24Å; E277-V317 WeakPolarHBondContact O-CG1 3.23Å; V278-V317 HydrophobicContact CG1-CG1 3.99Å; A313-V317 HydrophobicContact CB-CG1 4.32Å; A313-V317 HydrophobicContact CB-CG2 3.78Å; T315-V317 PolarHBondContact O-N 3.2Å; V317-L319 HydrophobicContact CB-CD2 4.31Å; V317-L319 HydrophobicContact CG2-CD2 4.39Å; V317-L319 HydrophobicContact CG2-CG 4.3Å
318K97.7Very high96.5Very high55 Ų5531.3 Ų31.324%0.23916%0.162CC..EExtended strand (participates in β ladder)trans-110.5124.5167.6-171.2179.4167.9-147.50108.4D274 Q275D274-K318 WeakPolarHBondContact CA-O 3.41Å; D274-K318 HydrophobicContact CB-CB 4.29Å; D274-K318 HydrophobicContact CB-CD 4.43Å; D274-K318 HydrophobicContact CB-CG 4.22Å; D274-K318 VanDerWaalsContact CB-O 3.31Å; D274-K318 WeakPolarHBondContact CB-O 3.39Å; D274-K318 PolarHBondContact N-O 2.95Å; D274-K318 VanDerWaalsContact OD2-CD 3.25Å; D274-K318 WeakPolarHBondContact OD2-CD 3.38Å; D274-K318 WeakPolarHBondContact OD2-CE 3.27Å; D274-K318 IonicContact OD2-NZ 3.61Å; D274-K318 PolarHBondContact OD2-NZ 3.32Å; Q275-K318 HydrophobicContact CB-CB 3.87Å; Q275-K318 PolarHBondContact N-O 2.89Å; Q275-K318 VanDerWaalsContact N-O 3.1Å; Q275-K318 PolarHBondContact O-N 3.06Å
319L97.8Very high96.7Very high0 Ų029.7 Ų29.70%014%0.139CC..EExtended strand (participates in β ladder)trans-121.6154.8-178.9-48.3174.4000110.4P251 V252 I260 Y271 I272 I273 F296 V317P251-L319 CarbonylContact C-O 3.55Å; P251-L319 WeakPolarHBondContact CA-O 3.4Å; V252-L319 HydrophobicContact CB-CB 4.26Å; V252-L319 PolarHBondContact N-O 2.89Å; V252-L319 PolarHBondContact O-N 2.78Å; I260-L319 HydrophobicContact CD1-CD1 4.07Å; I260-L319 HydrophobicContact CG1-CD1 4.34Å; I260-L319 HydrophobicContact CG2-CD1 3.82Å; Y271-L319 HydrophobicContact CD1-CB 4.38Å; Y271-L319 HydrophobicContact CD1-CD1 4.31Å; Y271-L319 HydrophobicContact CG-CD1 4.41Å; I272-L319 CarbonylContact O-C 3.49Å; I272-L319 WeakPolarHBondContact O-CA 3.43Å; I273-L319 HydrophobicContact CB-CD2 4.11Å; I273-L319 HydrophobicContact CG1-CD2 3.74Å; I273-L319 HydrophobicContact CG2-CD2 4.21Å; F296-L319 HydrophobicContact CE1-CD2 4.46Å; F296-L319 HydrophobicContact CZ-CD1 4.06Å; V317-L319 HydrophobicContact CB-CD2 4.31Å; V317-L319 HydrophobicContact CG2-CD2 4.39Å; V317-L319 HydrophobicContact CG2-CG 4.3Å
320W98Very high96.6Very high12 Ų1229.4 Ų29.45%0.04514%0.135CC..EExtended strand (participates in β ladder)trans-109.2121.9163.5-70.4102.5000109.2V214 K216 T220 L224 M249 P251 Y271 I272V214-W320 HydrophobicContact CG1-CZ3 4.21Å; K216-W320 HydrophobicContact CD-CE3 4.43Å; K216-W320 HydrophobicContact CD-CH2 4.1Å; K216-W320 HydrophobicContact CD-CZ2 4.35Å; K216-W320 HydrophobicContact CD-CZ3 4.16Å; K216-W320 HydrophobicContact CG-CH2 3.6Å; K216-W320 HydrophobicContact CG-CZ2 3.97Å; K216-W320 HydrophobicContact CG-CZ3 4.07Å; T220-W320 HydrophobicContact CG2-CZ2 3.67Å; T220-W320 VanDerWaalsContact CG2-NE1 3.28Å; L224-W320 HydrophobicContact CD1-CG 4.42Å; L224-W320 HydrophobicContact CD2-CB 3.9Å; L224-W320 HydrophobicContact CD2-CG 3.9Å; M249-W320 HydrophobicContact CB-CB 4.44Å; M249-W320 HydrophobicContact CB-CE3 4.19Å; M249-W320 HydrophobicContact CE-CB 3.5Å; M249-W320 VanDerWaalsContact CE-O 3.3Å; M249-W320 WeakPolarHBondContact CE-O 3.5Å; M249-W320 HydrophobicContact SD-CB 4.17Å; P251-W320 HydrophobicContact CB-CE3 4.22Å; P251-W320 HydrophobicContact CB-CH2 4.12Å; P251-W320 HydrophobicContact CB-CZ3 3.86Å; P251-W320 HydrophobicContact CG-CZ3 4.18Å; Y271-W320 CarbonylContact C-O 3.52Å; Y271-W320 WeakPolarHBondContact CA-O 3.28Å; I272-W320 PolarHBondContact N-O 3.35Å; I272-W320 PolarHBondContact O-N 3.18Å
321G97.5Very high96.5Very high0 Ų030 Ų300%014%0.139CC..EExtended strand (participates in β ladder)trans-104.7146.4179.400000112.4M249 F250 F270M249-G321 CarbonylContact C-O 3.53Å; M249-G321 WeakPolarHBondContact CA-O 3.2Å; F250-G321 WeakPolarHBondContact CD1-O 3.32Å; F250-G321 WeakPolarHBondContact CE1-O 3.12Å; F250-G321 PolarHBondContact N-O 3.25Å; F250-G321 PolarHBondContact O-N 3.36Å; F270-G321 CarbonylContact O-C 3.6Å; F270-G321 VanDerWaalsContact O-CA 3.25Å; F270-G321 WeakPolarHBondContact O-CA 3.35Å
322I97.6Very high96.2Very high0 Ų030.6 Ų30.60%014%0.141CC..EExtended strand (participates in β ladder)trans-133.6133.8165.1-178.764.4000109.2I245 A248 M249 N269 F270 L301I245-I322 HydrophobicContact CG2-CG1 4.25Å; A248-I322 HydrophobicContact CB-CD1 3.85Å; M249-I322 HydrophobicContact CE-CG2 4.35Å; M249-I322 HydrophobicContact CG-CB 4.19Å; N269-I322 WeakPolarHBondContact CA-O 3.32Å; F270-I322 HydrophobicContact CB-CG2 4.03Å; F270-I322 HydrophobicContact CD1-CG2 3.74Å; F270-I322 HydrophobicContact CG-CG2 4.38Å; F270-I322 PolarHBondContact N-O 3.17Å; F270-I322 PolarHBondContact O-N 2.63Å; L301-I322 HydrophobicContact CD1-CG2 4.3Å; L301-I322 HydrophobicContact CD2-CG2 4.13Å
323D95.6Very high95.9Very high27 Ų2727.8 Ų27.814%0.14413%0.133CC..EExtended strand (participates in β ladder)trans-85151.4178.461.692.4000112.2K212 D268 N269 D325 S326 Y327K212-D323 IonicContact NZ-OD2 3.14Å; K212-D323 PolarHBondContact NZ-OD2 3.03Å; D268-D323 CarbonylContact O-C 3.45Å; D268-D323 WeakPolarHBondContact O-CA 3.4Å; N269-D323 WeakPolarHBondContact OD1-CA 3.31Å; N269-D323 VanDerWaalsContact OD1-CB 3.31Å; N269-D323 WeakPolarHBondContact OD1-CB 3.46Å; D323-D325 VanDerWaalsContact C-N 3.29Å; D323-D325 PolarHBondContact O-N 3.08Å; D323-D325 PolarHBondContact OD1-N 3.3Å; D323-S326 PolarHBondContact O-N 3.34Å; D323-S326 VanDerWaalsContact OD1-CB 3.25Å; D323-S326 WeakPolarHBondContact OD1-CB 3.37Å; D323-S326 PolarHBondContact OD1-N 2.54Å; D323-S326 PolarHBondContact OD1-OG 3.3Å; D323-S326 PolarHBondContact OD2-OG 3.37Å; D323-Y327 WeakPolarHBondContact O-CB 3.42Å; D323-Y327 PolarHBondContact O-N 3.47Å
324R94.1Very high95.5Very high8 Ų828.1 Ų28.13%0.0314%0.135CC..Hα-helixtrans-52.9-45.7178.2-170.8-170.4-54.1149.920.4112.3E199 G267 D268 A300 L301 G304 Y327 R328E199-R324 IonicContact OE1-CZ 3.23Å; E199-R324 IonicContact OE1-NH1 3.9Å; E199-R324 PolarHBondContact OE1-NH1 2.59Å; E199-R324 WeakPolarHBondContact OE2-CD 3.4Å; E199-R324 IonicContact OE2-CZ 3.85Å; E199-R324 IonicContact OE2-NH1 2.75Å; E199-R324 PolarHBondContact OE2-NH1 3.4Å; G267-R324 PolarHBondContact O-NH2 3.04Å; D268-R324 PolarHBondContact O-N 3.1Å; D268-R324 IonicContact OD1-NH2 2.71Å; D268-R324 PolarHBondContact OD1-NH2 2.88Å; A300-R324 WeakPolarHBondContact O-CB 3.47Å; A300-R324 WeakPolarHBondContact O-CG 3.4Å; A300-R324 PolarHBondContact O-NE 3.11Å; L301-R324 WeakPolarHBondContact O-CG 3.47Å; G304-R324 VanDerWaalsContact CA-CZ 3.45Å; R324-Y327 PolarHBondContact O-N 2.87Å; R324-R328 HydrophobicContact CG-CG 4.32Å; R324-R328 WeakPolarHBondContact O-CB 3.05Å; R324-R328 WeakPolarHBondContact O-CG 3.39Å; R324-R328 PolarHBondContact O-N 3.43Å
325D93.6Very high95Very high51 Ų5125 Ų2527%0.27312%0.124SC..Hα-helixtrans-61.8-50.3-176178.883000111.5Y201 D323 Y327 R328 R329Y201-D325 VanDerWaalsContact CE1-OD1 3.23Å; Y201-D325 WeakPolarHBondContact CE1-OD1 3.37Å; Y201-D325 WeakPolarHBondContact OH-CA 3.41Å; Y201-D325 PolarHBondContact OH-OD1 3.4Å; D323-D325 VanDerWaalsContact C-N 3.29Å; D323-D325 PolarHBondContact O-N 3.08Å; D323-D325 PolarHBondContact OD1-N 3.3Å; D325-Y327 PolarHBondContact O-N 3.26Å; D325-R328 PolarHBondContact O-N 2.89Å; D325-R329 VanDerWaalsContact CG-NE 3.3Å; D325-R329 WeakPolarHBondContact O-CB 3.38Å; D325-R329 VanDerWaalsContact O-CG 3.3Å; D325-R329 WeakPolarHBondContact O-CG 3.27Å; D325-R329 PolarHBondContact O-N 2.96Å; D325-R329 IonicContact OD1-CZ 3.52Å; D325-R329 IonicContact OD1-NE 3.45Å; D325-R329 PolarHBondContact OD1-NE 3.03Å; D325-R329 IonicContact OD1-NH2 3.49Å; D325-R329 PolarHBondContact OD1-NH2 2.91Å; D325-R329 VanDerWaalsContact OD1-NH2 3.15Å; D325-R329 IonicContact OD2-CZ 3.71Å; D325-R329 IonicContact OD2-NE 3.85Å; D325-R329 PolarHBondContact OD2-NE 3.24Å; D325-R329 VanDerWaalsContact OD2-NE 3.1Å
326S95.1Very high94.7Very high0 Ų025.1 Ų25.10%012%0.122CC..Hα-helixtrans-62.3-45.6177.1-59.80000111.3Y209 K212 D323 I330Y209-S326 WeakPolarHBondContact OH-CB 3.4Å; K212-S326 PolarHBondContact NZ-OG 3.11Å; D323-S326 PolarHBondContact O-N 3.34Å; D323-S326 VanDerWaalsContact OD1-CB 3.25Å; D323-S326 WeakPolarHBondContact OD1-CB 3.37Å; D323-S326 PolarHBondContact OD1-N 2.54Å; D323-S326 PolarHBondContact OD1-OG 3.3Å; D323-S326 PolarHBondContact OD2-OG 3.37Å; S326-I330 WeakPolarHBondContact O-CB 3.41Å; S326-I330 WeakPolarHBondContact O-CD1 3.46Å; S326-I330 WeakPolarHBondContact O-CG1 3.32Å; S326-I330 PolarHBondContact O-N 3.47Å
327Y95.3Very high94.3Very high13 Ų1326.3 Ų26.35%0.05112%0.121CC..Hα-helixtrans-58.1-51.4177.4176.9-94.4000111.7L233 F234 L237 I245 L301 D323 R324 D325 I330 L331L233-Y327 PolarHBondContact O-OH 3.23Å; F234-Y327 HydrophobicContact CD1-CE2 4.35Å; F234-Y327 HydrophobicContact CE1-CD2 4.23Å; F234-Y327 AromaticContact CE1-CE2 3.81Å; F234-Y327 HydrophobicContact CE1-CE2 3.81Å; F234-Y327 HydrophobicContact CZ-CD2 4.45Å; F234-Y327 HydrophobicContact CZ-CE2 4.09Å; L237-Y327 HydrophobicContact CD1-CE2 4.46Å; I245-Y327 HydrophobicContact CD1-CD2 3.88Å; I245-Y327 HydrophobicContact CD1-CE2 3.87Å; I245-Y327 HydrophobicContact CG1-CD2 4.4Å; L301-Y327 HydrophobicContact CB-CD1 3.92Å; L301-Y327 HydrophobicContact CB-CE1 4.17Å; L301-Y327 HydrophobicContact CB-CG 4.25Å; L301-Y327 HydrophobicContact CD1-CD2 3.95Å; L301-Y327 HydrophobicContact CD1-CE2 4.14Å; L301-Y327 HydrophobicContact CD1-CG 4.15Å; L301-Y327 HydrophobicContact CD2-CG 4.27Å; L301-Y327 HydrophobicContact CG-CG 4.46Å; D323-Y327 WeakPolarHBondContact O-CB 3.42Å; D323-Y327 PolarHBondContact O-N 3.47Å; R324-Y327 PolarHBondContact O-N 2.87Å; D325-Y327 PolarHBondContact O-N 3.26Å; Y327-I330 PolarHBondContact O-N 2.98Å; Y327-L331 HydrophobicContact CD1-CD1 4.17Å; Y327-L331 HydrophobicContact CE1-CD1 3.49Å; Y327-L331 VanDerWaalsContact CE1-CD1 3.49Å; Y327-L331 HydrophobicContact CE1-CG 4.48Å; Y327-L331 HydrophobicContact CE2-CD1 4.01Å; Y327-L331 WeakPolarHBondContact O-CG 3.32Å; Y327-L331 PolarHBondContact O-N 3.41Å; Y327-L331 VanDerWaalsContact O-N 3.16Å; Y327-L331 WeakPolarHBondContact OH-CD1 3.36Å
328R93.9Very high93.8Very high56 Ų5630.8 Ų30.821%0.21114%0.138CC..Hα-helixtrans-64.9-44.4-178.5-71-171.970-179.2-2.4112.1E199 Y201 R324 D325 L331 M332E199-R328 PolarHBondContact O-NH1 3.37Å; E199-R328 PolarHBondContact O-NH2 3.01Å; Y201-R328 HydrophobicContact CD2-CB 4.47Å; Y201-R328 HydrophobicContact CE2-CB 4.19Å; Y201-R328 HydrophobicContact CE2-CG 4.49Å; Y201-R328 VanDerWaalsContact CE2-CZ 3.48Å; R324-R328 HydrophobicContact CG-CG 4.32Å; R324-R328 WeakPolarHBondContact O-CB 3.05Å; R324-R328 WeakPolarHBondContact O-CG 3.39Å; R324-R328 PolarHBondContact O-N 3.43Å; D325-R328 PolarHBondContact O-N 2.89Å; R328-L331 PolarHBondContact O-N 2.78Å; R328-M332 WeakPolarHBondContact O-CB 3.45Å; R328-M332 PolarHBondContact O-N 3.37Å
329R94Very high93.5Very high48 Ų4832.3 Ų32.318%0.18114%0.143CC..Hα-helixtrans-66-36.7179.1-70.4-179.1-168.3-126.65.9112.7Y201 D205 Y209 D325 G333Y201-R329 HydrophobicContact CD1-CG 3.98Å; Y201-R329 HydrophobicContact CE1-CG 3.98Å; D205-R329 PolarHBondContact O-NH1 3.37Å; Y209-R329 HydrophobicContact CD1-CB 4.37Å; Y209-R329 HydrophobicContact CD2-CB 3.75Å; Y209-R329 VanDerWaalsContact CD2-CD 3.45Å; Y209-R329 HydrophobicContact CD2-CG 4.27Å; Y209-R329 HydrophobicContact CE2-CB 4.31Å; Y209-R329 HydrophobicContact CG-CB 3.77Å; D325-R329 VanDerWaalsContact CG-NE 3.3Å; D325-R329 WeakPolarHBondContact O-CB 3.38Å; D325-R329 VanDerWaalsContact O-CG 3.3Å; D325-R329 WeakPolarHBondContact O-CG 3.27Å; D325-R329 PolarHBondContact O-N 2.96Å; D325-R329 IonicContact OD1-CZ 3.52Å; D325-R329 IonicContact OD1-NE 3.45Å; D325-R329 PolarHBondContact OD1-NE 3.03Å; D325-R329 IonicContact OD1-NH2 3.49Å; D325-R329 PolarHBondContact OD1-NH2 2.91Å; D325-R329 VanDerWaalsContact OD1-NH2 3.15Å; D325-R329 IonicContact OD2-CZ 3.71Å; D325-R329 IonicContact OD2-NE 3.85Å; D325-R329 PolarHBondContact OD2-NE 3.24Å; D325-R329 VanDerWaalsContact OD2-NE 3.1Å; R329-G333 PolarHBondContact O-N 3.37Å
330I94.2Very high93.2Very high7 Ų738.5 Ų38.54%0.03617%0.169CC..Hα-helixtrans-62.5-50.6175-70.4164.3000110.5Y209 D244 I245 A248 S326 Y327 G333 S334Y209-I330 HydrophobicContact CD1-CG1 4.34Å; Y209-I330 HydrophobicContact CE1-CD1 4.23Å; Y209-I330 HydrophobicContact CE1-CG1 3.53Å; D244-I330 HydrophobicContact CB-CG2 3.68Å; I245-I330 HydrophobicContact CG1-CB 4.48Å; I245-I330 HydrophobicContact CG1-CD1 4.18Å; I245-I330 HydrophobicContact CG1-CG2 3.97Å; A248-I330 HydrophobicContact CB-CD1 3.74Å; S326-I330 WeakPolarHBondContact O-CB 3.41Å; S326-I330 WeakPolarHBondContact O-CD1 3.46Å; S326-I330 WeakPolarHBondContact O-CG1 3.32Å; S326-I330 PolarHBondContact O-N 3.47Å; Y327-I330 PolarHBondContact O-N 2.98Å; I330-G333 PolarHBondContact O-N 3.26Å; I330-S334 WeakPolarHBondContact O-CB 3.42Å; I330-S334 PolarHBondContact O-N 3.39Å
331L93.6Very high92.8Very high15 Ų1540.7 Ų40.78%0.07918%0.184CC..Hα-helixtrans-65.1-42.3-179.6-67.3-172.4000112.7L134 L237 E241 I245 Y327 R328 S334 T335L134-L331 HydrophobicContact CD2-CB 4.49Å; L237-L331 HydrophobicContact CD1-CD2 4.04Å; L237-L331 HydrophobicContact CD2-CD1 4.16Å; L237-L331 HydrophobicContact CD2-CD2 3.4Å; L237-L331 HydrophobicContact CD2-CG 4.44Å; L237-L331 HydrophobicContact CG-CD2 4.33Å; E241-L331 HydrophobicContact CB-CD2 4.3Å; E241-L331 HydrophobicContact CG-CD2 4.35Å; I245-L331 HydrophobicContact CD1-CD2 4.2Å; Y327-L331 HydrophobicContact CD1-CD1 4.17Å; Y327-L331 HydrophobicContact CE1-CD1 3.49Å; Y327-L331 VanDerWaalsContact CE1-CD1 3.49Å; Y327-L331 HydrophobicContact CE1-CG 4.48Å; Y327-L331 HydrophobicContact CE2-CD1 4.01Å; Y327-L331 WeakPolarHBondContact O-CG 3.32Å; Y327-L331 PolarHBondContact O-N 3.41Å; Y327-L331 VanDerWaalsContact O-N 3.16Å; Y327-L331 WeakPolarHBondContact OH-CD1 3.36Å; R328-L331 PolarHBondContact O-N 2.78Å; L331-S334 PolarHBondContact O-N 3.14Å; L331-T335 WeakPolarHBondContact O-CB 3.47Å; L331-T335 PolarHBondContact O-N 3.08Å; L331-T335 PolarHBondContact O-OG1 3Å
332M92.8Very high92.5Very high14 Ų1441.9 Ų41.97%0.06919%0.189CC..Hα-helixtrans-63.9-46.5177.2-173.8172170.600111.1T202 E203 A206 R328 S334 T335 I336T202-M332 WeakPolarHBondContact O-CE 3.2Å; E203-M332 HydrophobicContact CG-CE 4.32Å; A206-M332 HydrophobicContact CB-CB 4.1Å; A206-M332 HydrophobicContact CB-CE 4.14Å; A206-M332 HydrophobicContact CB-CG 3.72Å; A206-M332 HydrophobicContact CB-SD 3.95Å; R328-M332 WeakPolarHBondContact O-CB 3.45Å; R328-M332 PolarHBondContact O-N 3.37Å; M332-S334 PolarHBondContact O-N 2.84Å; M332-T335 PolarHBondContact O-N 3.23Å; M332-I336 HydrophobicContact CE-CD1 3.96Å; M332-I336 HydrophobicContact CG-CD1 3.85Å; M332-I336 WeakPolarHBondContact O-CB 3.4Å; M332-I336 VanDerWaalsContact O-CG1 3.28Å; M332-I336 WeakPolarHBondContact O-CG1 3.2Å; M332-I336 PolarHBondContact O-N 3.47Å
333G92.4Very high92.2Very high14 Ų1444.6 Ų44.614%0.14420%0.201CC..Hα-helixtrans-63.8-37.5176.700000113.3R329 I330 R337R329-G333 PolarHBondContact O-N 3.37Å; I330-G333 PolarHBondContact O-N 3.26Å; G333-R337 WeakPolarHBondContact O-CB 3.04Å; G333-R337 VanDerWaalsContact O-CG 3.26Å; G333-R337 WeakPolarHBondContact O-CG 3.46Å; G333-R337 PolarHBondContact O-N 3.43Å; G333-R337 VanDerWaalsContact O-N 3.13Å; G333-R337 PolarHBondContact O-NE 3.04Å
334S89.4Confident91.9Very high10 Ų1047.9 Ų47.97%0.0722%0.216CC..Hα-helixtrans-61.3-50.4171.3-1780000111.4E241 I330 L331 M332 I336 R337 R338E241-S334 WeakPolarHBondContact CG-OG 3.46Å; E241-S334 WeakPolarHBondContact OE1-CB 3.43Å; E241-S334 PolarHBondContact OE1-OG 3.45Å; I330-S334 WeakPolarHBondContact O-CB 3.42Å; I330-S334 PolarHBondContact O-N 3.39Å; L331-S334 PolarHBondContact O-N 3.14Å; M332-S334 PolarHBondContact O-N 2.84Å; S334-I336 PolarHBondContact O-N 3.44Å; S334-R337 PolarHBondContact O-N 2.96Å; S334-R338 WeakPolarHBondContact O-CB 3.39Å; S334-R338 PolarHBondContact O-N 2.76Å
335T88.6Confident91.7Very high26 Ų2648.7 Ų48.716%0.1622%0.22CC..Hα-helixtrans-63-43.5-177.8-59.40000112.1L331 M332 R338 R339L331-T335 WeakPolarHBondContact O-CB 3.47Å; L331-T335 PolarHBondContact O-N 3.08Å; L331-T335 PolarHBondContact O-OG1 3Å; M332-T335 PolarHBondContact O-N 3.23Å; T335-R338 PolarHBondContact O-N 2.8Å; T335-R339 WeakPolarHBondContact O-CB 3.22Å; T335-R339 PolarHBondContact O-N 3.28Å
336I90.7Very high91.7Very high55 Ų5546.2 Ų46.228%0.28221%0.207SC..Hα-helixtrans-61.5-46.8176.3-69.4166.5000110.6E203 A206 M332 S334 R338 R339 K340E203-I336 HydrophobicContact CB-CD1 4.24Å; E203-I336 HydrophobicContact CG-CD1 4.03Å; A206-I336 HydrophobicContact CB-CD1 3.89Å; M332-I336 HydrophobicContact CE-CD1 3.96Å; M332-I336 HydrophobicContact CG-CD1 3.85Å; M332-I336 WeakPolarHBondContact O-CB 3.4Å; M332-I336 VanDerWaalsContact O-CG1 3.28Å; M332-I336 WeakPolarHBondContact O-CG1 3.2Å; M332-I336 PolarHBondContact O-N 3.47Å; S334-I336 PolarHBondContact O-N 3.44Å; I336-R338 PolarHBondContact O-N 3.38Å; I336-R339 PolarHBondContact O-N 3.43Å; I336-K340 WeakPolarHBondContact O-CB 3.49Å; I336-K340 PolarHBondContact O-N 3.38Å
337R89.5Confident91.4Very high142 Ų14248.8 Ų48.854%0.53622%0.224SC..Hα-helixtrans-60.1-46.2177-76.2-177.4-67.6171.40.1111.2D244 G333 S334 K340 V341D244-R337 IonicContact OD2-NH2 3.5Å; G333-R337 WeakPolarHBondContact O-CB 3.04Å; G333-R337 VanDerWaalsContact O-CG 3.26Å; G333-R337 WeakPolarHBondContact O-CG 3.46Å; G333-R337 PolarHBondContact O-N 3.43Å; G333-R337 VanDerWaalsContact O-N 3.13Å; G333-R337 PolarHBondContact O-NE 3.04Å; S334-R337 PolarHBondContact O-N 2.96Å; R337-K340 PolarHBondContact O-N 2.85Å; R337-V341 WeakPolarHBondContact O-CG2 3.43Å; R337-V341 PolarHBondContact O-N 3.19Å
338R88.3Confident91Very high93 Ų9355.3 Ų55.335%0.35125%0.248SC..Hα-helixtrans-60.5-49.9178.4-175.1169.366-146.2-2111.8D238 E241 S334 T335 I336 K340 V341 Y342D238-R338 IonicContact OD2-NH1 3.43Å; E241-R338 IonicContact OE1-NH1 2.71Å; S334-R338 WeakPolarHBondContact O-CB 3.39Å; S334-R338 PolarHBondContact O-N 2.76Å; T335-R338 PolarHBondContact O-N 2.8Å; I336-R338 PolarHBondContact O-N 3.38Å; R338-K340 VanDerWaalsContact C-N 3.33Å; R338-K340 PolarHBondContact O-N 3.39Å; R338-V341 PolarHBondContact O-N 2.91Å; R338-Y342 HydrophobicContact CG-CD2 3.91Å; R338-Y342 HydrophobicContact CG-CE1 4.11Å; R338-Y342 HydrophobicContact CG-CE2 3.42Å; R338-Y342 VanDerWaalsContact CG-CE2 3.42Å; R338-Y342 HydrophobicContact CG-CG 4.45Å; R338-Y342 WeakPolarHBondContact O-CB 3.4Å; R338-Y342 PolarHBondContact O-N 2.68Å
339R90.5Very high90.7Very high88 Ų8852.7 Ų52.733%0.33224%0.239SC..Hα-helixtrans-57.3-45.3176.2-80.8-177.5169.4168.1-3111.9T335 I336 Y342 Q343 D365T335-R339 WeakPolarHBondContact O-CB 3.22Å; T335-R339 PolarHBondContact O-N 3.28Å; I336-R339 PolarHBondContact O-N 3.43Å; R339-Y342 PolarHBondContact O-N 3.14Å; R339-Q343 VanDerWaalsContact O-CB 3.22Å; R339-Q343 WeakPolarHBondContact O-CB 3.46Å; R339-Q343 PolarHBondContact O-N 3.45Å; R339-D365 IonicContact CZ-OD1 3.15Å; R339-D365 IonicContact CZ-OD2 3.68Å; R339-D365 IonicContact NE-OD1 3.1Å; R339-D365 PolarHBondContact NE-OD1 2.8Å; R339-D365 IonicContact NE-OD2 2.65Å; R339-D365 PolarHBondContact NE-OD2 3.32Å; R339-D365 IonicContact NH2-OD1 2.85Å; R339-D365 PolarHBondContact NH2-OD1 2.67Å; R339-D365 IonicContact NH2-OD2 2.7Å; R339-D365 PolarHBondContact NH2-OD2 3.35Å
340K91.5Very high90.4Very high129 Ų12952.2 Ų52.256%0.56124%0.242SC*.Hα-helixtrans-60-50178.8-176.1178.5178-178.90111.7I336 R337 R338 Y342 Q343 E344I336-K340 WeakPolarHBondContact O-CB 3.49Å; I336-K340 PolarHBondContact O-N 3.38Å; R337-K340 PolarHBondContact O-N 2.85Å; R338-K340 VanDerWaalsContact C-N 3.33Å; R338-K340 PolarHBondContact O-N 3.39Å; K340-Y342 PolarHBondContact O-N 3.42Å; K340-Q343 PolarHBondContact O-N 3.11Å; K340-E344 VanDerWaalsContact CE-OE1 3.23Å; K340-E344 WeakPolarHBondContact CE-OE1 3.44Å; K340-E344 WeakPolarHBondContact O-CG 3.47Å; K340-E344 PolarHBondContact O-N 3.44Å
341V89.9Confident90Very high59 Ų5951.9 Ų51.936%0.35824%0.24SC..Hα-helixtrans-60.1-46.1178.7169.90000111R337 R338 E344 F345R337-V341 WeakPolarHBondContact O-CG2 3.43Å; R337-V341 PolarHBondContact O-N 3.19Å; R338-V341 PolarHBondContact O-N 2.91Å; V341-E344 PolarHBondContact O-N 2.94Å; V341-F345 HydrophobicContact CG1-CD2 3.87Å; V341-F345 HydrophobicContact CG1-CE2 3.27Å; V341-F345 HydrophobicContact CG1-CZ 3.91Å; V341-F345 VanDerWaalsContact O-CD2 3.28Å; V341-F345 WeakPolarHBondContact O-CD2 3.43Å; V341-F345 PolarHBondContact O-N 3.42Å; V341-F345 VanDerWaalsContact O-N 3.09Å
342Y92.2Very high89.8Confident25 Ų2551.2 Ų51.210%0.09824%0.236CC..Hα-helixtrans-67.9-38.7-179.7-68.5-2.3000112.3R338 R339 K340 E344 F345 L346 A364 L367 V444R338-Y342 HydrophobicContact CG-CD2 3.91Å; R338-Y342 HydrophobicContact CG-CE1 4.11Å; R338-Y342 HydrophobicContact CG-CE2 3.42Å; R338-Y342 VanDerWaalsContact CG-CE2 3.42Å; R338-Y342 HydrophobicContact CG-CG 4.45Å; R338-Y342 WeakPolarHBondContact O-CB 3.4Å; R338-Y342 PolarHBondContact O-N 2.68Å; R339-Y342 PolarHBondContact O-N 3.14Å; K340-Y342 PolarHBondContact O-N 3.42Å; Y342-E344 VanDerWaalsContact C-N 3.34Å; Y342-E344 PolarHBondContact O-N 2.94Å; Y342-F345 HydrophobicContact CD1-CD2 4.45Å; Y342-F345 PolarHBondContact O-N 3.45Å; Y342-L346 WeakPolarHBondContact O-CB 3.41Å; Y342-L346 VanDerWaalsContact O-CG 3.25Å; Y342-L346 WeakPolarHBondContact O-CG 3.39Å; Y342-L346 PolarHBondContact O-N 3.19Å; Y342-A364 WeakPolarHBondContact CD2-O 3.22Å; Y342-L367 HydrophobicContact CD2-CB 4.07Å; Y342-L367 HydrophobicContact CD2-CD1 3.76Å; Y342-L367 HydrophobicContact CE2-CB 4.09Å; Y342-L367 HydrophobicContact CE2-CD1 4.47Å; Y342-L367 HydrophobicContact CG-CD1 3.85Å; Y342-V444 HydrophobicContact CD1-CG1 4.3Å; Y342-V444 HydrophobicContact CE1-CG1 3.51Å; Y342-V444 HydrophobicContact CE2-CG1 4.08Å; Y342-V444 VanDerWaalsContact OH-CG1 3.3Å; Y342-V444 WeakPolarHBondContact OH-CG1 3.43Å
343Q91Very high89.6Confident56 Ų5654.3 Ų54.326%0.26225%0.253SS..Hα-helixtrans-60.3-45.2173.8-172.9-177.4-22.100111R339 K340 F345 L346 C347 R360R339-Q343 VanDerWaalsContact O-CB 3.22Å; R339-Q343 WeakPolarHBondContact O-CB 3.46Å; R339-Q343 PolarHBondContact O-N 3.45Å; K340-Q343 PolarHBondContact O-N 3.11Å; Q343-F345 VanDerWaalsContact C-N 3.3Å; Q343-F345 PolarHBondContact O-N 2.88Å; Q343-L346 PolarHBondContact O-N 3.35Å; Q343-C347 PolarHBondContact O-N 3.16Å; Q343-C347 PolarHBondContact O-SG 2.88Å; Q343-R360 HydrophobicContact CG-CG 4.29Å
344E89.9Confident89.4Confident97 Ų9755.4 Ų55.445%0.45326%0.256SS..Hα-helixtrans-59.6-38.9177-74.8173.2-168.200112.5K340 V341 Y342K340-E344 VanDerWaalsContact CE-OE1 3.23Å; K340-E344 WeakPolarHBondContact CE-OE1 3.44Å; K340-E344 WeakPolarHBondContact O-CG 3.47Å; K340-E344 PolarHBondContact O-N 3.44Å; V341-E344 PolarHBondContact O-N 2.94Å; Y342-E344 VanDerWaalsContact C-N 3.34Å; Y342-E344 PolarHBondContact O-N 2.94Å
345F90.5Very high89.5Confident24 Ų2455.1 Ų55.111%0.10525%0.254CS..Hα-helixtrans-70-46.1174.3-66-41.6000112.8V341 Y342 Q343 C347 R348 I390 T392 S417V341-F345 HydrophobicContact CG1-CD2 3.87Å; V341-F345 HydrophobicContact CG1-CE2 3.27Å; V341-F345 HydrophobicContact CG1-CZ 3.91Å; V341-F345 VanDerWaalsContact O-CD2 3.28Å; V341-F345 WeakPolarHBondContact O-CD2 3.43Å; V341-F345 PolarHBondContact O-N 3.42Å; V341-F345 VanDerWaalsContact O-N 3.09Å; Y342-F345 HydrophobicContact CD1-CD2 4.45Å; Y342-F345 PolarHBondContact O-N 3.45Å; Q343-F345 VanDerWaalsContact C-N 3.3Å; Q343-F345 PolarHBondContact O-N 2.88Å; F345-C347 PolarHBondContact O-N 2.9Å; F345-R348 WeakPolarHBondContact O-CB 3.45Å; F345-R348 PolarHBondContact O-N 3.44Å; F345-I390 HydrophobicContact CB-CD1 4.33Å; F345-I390 HydrophobicContact CB-CG2 3.91Å; F345-I390 HydrophobicContact CD2-CG2 4.41Å; F345-I390 HydrophobicContact CG-CG2 4.1Å; F345-T392 HydrophobicContact CD2-CG2 4.21Å; F345-T392 HydrophobicContact CE2-CG2 3.68Å; F345-T392 HydrophobicContact CZ-CG2 4.49Å; F345-S417 WeakPolarHBondContact CE1-OG 3.26Å
346L91.8Very high89.6Confident0 Ų057.8 Ų57.80%027%0.267CS..Hα-helixtrans-61.2-32.5179.4-71.6169.4000112.1Y342 Q343 R348 V349 L352 R360 V363 A364 L367 I390Y342-L346 WeakPolarHBondContact O-CB 3.41Å; Y342-L346 VanDerWaalsContact O-CG 3.25Å; Y342-L346 WeakPolarHBondContact O-CG 3.39Å; Y342-L346 PolarHBondContact O-N 3.19Å; Q343-L346 PolarHBondContact O-N 3.35Å; L346-R348 PolarHBondContact O-N 3.25Å; L346-V349 PolarHBondContact O-N 3.2Å; L346-L352 HydrophobicContact CD2-CD1 3.59Å; L346-R360 HydrophobicContact CB-CG 3.84Å; L346-R360 HydrophobicContact CD1-CG 4.02Å; L346-V363 HydrophobicContact CD1-CB 4.22Å; L346-V363 HydrophobicContact CD1-CG1 3.92Å; L346-V363 HydrophobicContact CD2-CG1 3.85Å; L346-A364 HydrophobicContact CD1-CB 3.86Å; L346-L367 HydrophobicContact CD1-CD1 4.2Å; L346-L367 HydrophobicContact CD2-CD1 4.48Å; L346-L367 HydrophobicContact CG-CD1 4.39Å; L346-I390 HydrophobicContact CD2-CD1 3.97Å
347C89.4Confident89.6Confident54 Ų5459.8 Ų59.837%0.36527%0.274SS..THydrogen-bonded Turntrans-57.5-26.3172.7-680000113.5Q343 F345 R360Q343-C347 PolarHBondContact O-N 3.16Å; Q343-C347 PolarHBondContact O-SG 2.88Å; F345-C347 PolarHBondContact O-N 2.9Å; C347-R360 PolarHBondContact SG-NH1 2.89Å
348R86.5Confident89.7Confident149 Ų14960.3 Ų60.356%0.56228%0.276SS*.THydrogen-bonded Turntrans-90-6.1-176.9-61.5-177.8-176.9-178.15113.1F345 L346 P350 S417F345-R348 WeakPolarHBondContact O-CB 3.45Å; F345-R348 PolarHBondContact O-N 3.44Å; L346-R348 PolarHBondContact O-N 3.25Å; R348-P350 VanDerWaalsContact O-CD 3.28Å; R348-P350 WeakPolarHBondContact O-CD 3.23Å; R348-S417 PolarHBondContact NH1-OG 2.89Å
349V89Confident89.9Confident1 Ų157.4 Ų57.41%0.00627%0.266CS..  trans-90.6106.6-175179.40000109.2L346 I351 L352 D353 F388 I390 Y419L346-V349 PolarHBondContact O-N 3.2Å; V349-I351 VanDerWaalsContact C-N 3.29Å; V349-I351 HydrophobicContact CG1-CG2 3.67Å; V349-I351 PolarHBondContact O-N 3.13Å; V349-L352 HydrophobicContact CB-CB 4.28Å; V349-L352 HydrophobicContact CB-CD1 4.36Å; V349-L352 HydrophobicContact CB-CG 4.37Å; V349-L352 HydrophobicContact CG1-CB 4.15Å; V349-L352 HydrophobicContact CG1-CD1 4.01Å; V349-L352 HydrophobicContact CG1-CG 3.8Å; V349-L352 CarbonylContact O-C 3.59Å; V349-L352 PolarHBondContact O-N 2.98Å; V349-D353 PolarHBondContact O-N 2.89Å; V349-F388 HydrophobicContact CG1-CE2 4.38Å; V349-F388 HydrophobicContact CG1-CZ 3.87Å; V349-F388 HydrophobicContact CG2-CZ 3.91Å; V349-I390 HydrophobicContact CG2-CD1 4.17Å; V349-Y419 HydrophobicContact CG2-CD1 3.9Å; V349-Y419 HydrophobicContact CG2-CE1 4.43Å; V349-Y419 HydrophobicContact CG2-CG 4.17Å
350P87.8Confident90Very high38 Ų3855 Ų5525%0.24726%0.257CS..G310 helixtrans-64.9-28.5-170.8-2134.2000114.4R348 L352 D353 Y419R348-P350 VanDerWaalsContact O-CD 3.28Å; R348-P350 WeakPolarHBondContact O-CD 3.23Å; P350-L352 PolarHBondContact O-N 2.7Å; P350-D353 WeakPolarHBondContact O-CB 3.32Å; P350-D353 PolarHBondContact O-N 2.95Å; P350-Y419 VanDerWaalsContact CD-CZ 3.42Å; P350-Y419 WeakPolarHBondContact CD-OH 3.47Å; P350-Y419 WeakPolarHBondContact CG-OH 3.47Å
351I86Confident90Very high0 Ų050.5 Ų50.50%024%0.239CC..G310 helixtrans-67.8-22.9175.8-156.2176.2000111.4V349 E422 L462 Y472V349-I351 VanDerWaalsContact C-N 3.29Å; V349-I351 HydrophobicContact CG1-CG2 3.67Å; V349-I351 PolarHBondContact O-N 3.13Å; I351-E422 HydrophobicContact CD1-CB 4.39Å; I351-E422 HydrophobicContact CD1-CG 4.33Å; I351-E422 HydrophobicContact CG2-CB 4.01Å; I351-E422 HydrophobicContact CG2-CG 4.44Å; I351-L462 HydrophobicContact CB-CD2 4.45Å; I351-L462 HydrophobicContact CD1-CD1 3.98Å; I351-L462 HydrophobicContact CG1-CD1 3.68Å; I351-L462 HydrophobicContact CG1-CD2 3.59Å; I351-L462 HydrophobicContact CG1-CG 4Å; I351-L462 WeakPolarHBondContact O-CD2 3.47Å; I351-Y472 HydrophobicContact CB-CE1 4.22Å; I351-Y472 HydrophobicContact CB-CE2 4.03Å; I351-Y472 HydrophobicContact CD1-CD1 4.28Å; I351-Y472 HydrophobicContact CD1-CE1 4.19Å; I351-Y472 HydrophobicContact CG1-CD2 4.31Å; I351-Y472 HydrophobicContact CG1-CE1 4.23Å; I351-Y472 HydrophobicContact CG1-CE2 4.01Å; I351-Y472 PolarHBondContact N-OH 3.06Å
352L88Confident90.1Very high1 Ų150.5 Ų50.51%0.00524%0.239CC..G310 helixtrans-108.26.6-178.3-57.2-175.4000113.4L346 V349 P350 N354 L355 V363 F388 F451L346-L352 HydrophobicContact CD2-CD1 3.59Å; V349-L352 HydrophobicContact CB-CB 4.28Å; V349-L352 HydrophobicContact CB-CD1 4.36Å; V349-L352 HydrophobicContact CB-CG 4.37Å; V349-L352 HydrophobicContact CG1-CB 4.15Å; V349-L352 HydrophobicContact CG1-CD1 4.01Å; V349-L352 HydrophobicContact CG1-CG 3.8Å; V349-L352 CarbonylContact O-C 3.59Å; V349-L352 PolarHBondContact O-N 2.98Å; P350-L352 PolarHBondContact O-N 2.7Å; L352-N354 PolarHBondContact O-N 2.95Å; L352-L355 HydrophobicContact CB-CD1 3.85Å; L352-L355 HydrophobicContact CB-CG 4.23Å; L352-L355 HydrophobicContact CD1-CD1 4.47Å; L352-L355 HydrophobicContact CD2-CD1 4.2Å; L352-L355 HydrophobicContact CG-CD1 4.38Å; L352-L355 VanDerWaalsContact O-CB 3.31Å; L352-L355 WeakPolarHBondContact O-CB 3.41Å; L352-L355 VanDerWaalsContact O-CG 3.26Å; L352-L355 WeakPolarHBondContact O-CG 3.04Å; L352-L355 PolarHBondContact O-N 3.3Å; L352-L355 VanDerWaalsContact O-N 3.08Å; L352-V363 HydrophobicContact CD1-CG1 4.49Å; L352-F388 HydrophobicContact CD1-CE1 4.34Å; L352-F451 HydrophobicContact CD2-CE2 3.96Å; L352-F451 HydrophobicContact CD2-CZ 4.31Å
353D88.4Confident90.2Very high79 Ų7949.3 Ų49.342%0.42224%0.235SC..THydrogen-bonded Turntrans-64.4-27.4-175.6-17033.2000112.9V349 P350 L355 K468V349-D353 PolarHBondContact O-N 2.89Å; P350-D353 WeakPolarHBondContact O-CB 3.32Å; P350-D353 PolarHBondContact O-N 2.95Å; D353-L355 PolarHBondContact O-N 3.2Å; D353-K468 VanDerWaalsContact CB-NZ 3.31Å; D353-K468 IonicContact OD2-NZ 2.78Å; D353-K468 PolarHBondContact OD2-NZ 2.78Å
354N88Confident90.3Very high38 Ų3846.8 Ų46.820%0.20322%0.223CC..THydrogen-bonded Turntrans-83.16.3177.4-57.9-37.5000113.9L352 R464 N465L352-N354 PolarHBondContact O-N 2.95Å; N354-R464 HydrophobicContact CB-CB 4.18Å; N354-R464 PolarHBondContact O-NH1 3.27Å; N354-N465 VanDerWaalsContact ND2-CB 3.26Å; N354-N465 WeakPolarHBondContact ND2-CB 3.38Å
355L91.7Very high90.4Very high4 Ų446 Ų462%0.02122%0.222CC..  trans-75.2131.3170-63.5-177.5000109.6L352 D353 E359 R360 V363 M455 I461L352-L355 HydrophobicContact CB-CD1 3.85Å; L352-L355 HydrophobicContact CB-CG 4.23Å; L352-L355 HydrophobicContact CD1-CD1 4.47Å; L352-L355 HydrophobicContact CD2-CD1 4.2Å; L352-L355 HydrophobicContact CG-CD1 4.38Å; L352-L355 VanDerWaalsContact O-CB 3.31Å; L352-L355 WeakPolarHBondContact O-CB 3.41Å; L352-L355 VanDerWaalsContact O-CG 3.26Å; L352-L355 WeakPolarHBondContact O-CG 3.04Å; L352-L355 PolarHBondContact O-N 3.3Å; L352-L355 VanDerWaalsContact O-N 3.08Å; D353-L355 PolarHBondContact O-N 3.2Å; L355-E359 WeakPolarHBondContact CA-OE2 3.26Å; L355-E359 HydrophobicContact CB-CB 4.13Å; L355-E359 HydrophobicContact CD2-CB 4.04Å; L355-R360 HydrophobicContact CB-CB 4.35Å; L355-R360 PolarHBondContact O-NH2 2.74Å; L355-V363 HydrophobicContact CD1-CB 4.45Å; L355-V363 HydrophobicContact CD1-CG2 3.86Å; L355-M455 HydrophobicContact CD2-CE 4.04Å; L355-I461 HydrophobicContact CD2-CD1 3.95Å; L355-I461 HydrophobicContact CD2-CG1 4.44Å; L355-I461 HydrophobicContact CD2-CG2 3.63Å; L355-I461 HydrophobicContact CG-CG2 4.45Å
356D91.1Very high90.6Very high81 Ų8145 Ų4543%0.43322%0.218SC..  trans-68.9177.2168.678.535.3000111.6W358 E359 R360D356-W358 VanDerWaalsContact C-N 3.33Å; D356-W358 PolarHBondContact O-N 3.01Å; D356-W358 WeakPolarHBondContact OD1-CA 3.4Å; D356-W358 WeakPolarHBondContact OD1-CB 3.38Å; D356-W358 PolarHBondContact OD1-N 2.8Å; D356-E359 PolarHBondContact N-OE2 3.22Å; D356-E359 WeakPolarHBondContact OD1-CG 3.24Å; D356-E359 PolarHBondContact OD1-N 3.4Å; D356-R360 VanDerWaalsContact O-CB 3.23Å; D356-R360 WeakPolarHBondContact O-CB 3.36Å; D356-R360 PolarHBondContact O-N 2.73Å
357K90.6Very high90.7Very high98 Ų9845.6 Ų45.643%0.42622%0.221SC..Hα-helixtrans-59.1-41.9-178.3-176.3-177173.9-172.90112.6L361K357-L361 HydrophobicContact CG-CD1 4.49Å; K357-L361 VanDerWaalsContact O-CG 3.32Å; K357-L361 WeakPolarHBondContact O-CG 3.41Å; K357-L361 PolarHBondContact O-N 2.9Å; K357-L361 VanDerWaalsContact O-N 3.11Å
358W90.8Very high90.9Very high152 Ų15246.4 Ų46.458%0.57622%0.22SC*.Hα-helixtrans-77.3-39.7-175.8-64.6112.9000111.9Y127 D356 R360 L361 T362Y127-W358 HydrophobicContact CD1-CH2 4.32Å; Y127-W358 HydrophobicContact CD1-CZ2 4.34Å; Y127-W358 HydrophobicContact CE1-CZ2 4.32Å; D356-W358 VanDerWaalsContact C-N 3.33Å; D356-W358 PolarHBondContact O-N 3.01Å; D356-W358 WeakPolarHBondContact OD1-CA 3.4Å; D356-W358 WeakPolarHBondContact OD1-CB 3.38Å; D356-W358 PolarHBondContact OD1-N 2.8Å; W358-R360 VanDerWaalsContact C-N 3.32Å; W358-R360 PolarHBondContact O-N 3.49Å; W358-L361 HydrophobicContact CE3-CD1 4Å; W358-L361 HydrophobicContact CZ3-CD1 4.26Å; W358-L361 PolarHBondContact O-N 3.04Å; W358-T362 PolarHBondContact O-N 3.18Å; W358-T362 PolarHBondContact O-OG1 3.23Å
359E93.1Very high91.2Very high32 Ų3243.9 Ų43.915%0.1522%0.223CC..Hα-helixtrans-61.9-42.7172.8-63.8-179.5132.700110.7L355 D356 L361 T362 V363 M455 R464L355-E359 WeakPolarHBondContact CA-OE2 3.26Å; L355-E359 HydrophobicContact CB-CB 4.13Å; L355-E359 HydrophobicContact CD2-CB 4.04Å; D356-E359 PolarHBondContact N-OE2 3.22Å; D356-E359 WeakPolarHBondContact OD1-CG 3.24Å; D356-E359 PolarHBondContact OD1-N 3.4Å; E359-L361 VanDerWaalsContact C-N 3.34Å; E359-L361 PolarHBondContact O-N 2.8Å; E359-T362 WeakPolarHBondContact O-CB 3.3Å; E359-T362 PolarHBondContact O-N 2.82Å; E359-V363 WeakPolarHBondContact O-CG2 3.34Å; E359-V363 PolarHBondContact O-N 2.65Å; E359-M455 HydrophobicContact CB-CE 3.59Å; E359-M455 HydrophobicContact CB-SD 4.2Å; E359-M455 HydrophobicContact CG-CE 3.63Å; E359-R464 VanDerWaalsContact CD-NH1 3.32Å; E359-R464 IonicContact OE1-CZ 3.65Å; E359-R464 IonicContact OE1-NH1 2.61Å; E359-R464 PolarHBondContact OE1-NH1 2.91Å; E359-R464 VanDerWaalsContact OE1-NH1 3.14Å; E359-R464 IonicContact OE1-NH2 3.43Å; E359-R464 PolarHBondContact OE1-NH2 3.13Å; E359-R464 IonicContact OE2-CZ 3.39Å; E359-R464 IonicContact OE2-NH1 2.77Å; E359-R464 PolarHBondContact OE2-NH1 3.5Å; E359-R464 IonicContact OE2-NH2 2.7Å
360R93.2Very high91.5Very high39 Ų3945.4 Ų45.415%0.14723%0.232CC..Hα-helixtrans-63.6-38.9176-168.8176-56.9157.88.4112.4Q343 L346 C347 L355 D356 W358 V363 A364Q343-R360 HydrophobicContact CG-CG 4.29Å; L346-R360 HydrophobicContact CB-CG 3.84Å; L346-R360 HydrophobicContact CD1-CG 4.02Å; C347-R360 PolarHBondContact SG-NH1 2.89Å; L355-R360 HydrophobicContact CB-CB 4.35Å; L355-R360 PolarHBondContact O-NH2 2.74Å; D356-R360 VanDerWaalsContact O-CB 3.23Å; D356-R360 WeakPolarHBondContact O-CB 3.36Å; D356-R360 PolarHBondContact O-N 2.73Å; W358-R360 VanDerWaalsContact C-N 3.32Å; W358-R360 PolarHBondContact O-N 3.49Å; R360-V363 PolarHBondContact O-N 2.74Å; R360-A364 WeakPolarHBondContact O-CB 3.4Å; R360-A364 PolarHBondContact O-N 2.85Å
361L91.5Very high91.9Very high33 Ų3349.4 Ų49.417%0.17324%0.242CC..Hα-helixtrans-64.8-40.5173.6-75.2169.3000111.7K357 W358 E359 V363 A364 D365K357-L361 HydrophobicContact CG-CD1 4.49Å; K357-L361 VanDerWaalsContact O-CG 3.32Å; K357-L361 WeakPolarHBondContact O-CG 3.41Å; K357-L361 PolarHBondContact O-N 2.9Å; K357-L361 VanDerWaalsContact O-N 3.11Å; W358-L361 HydrophobicContact CE3-CD1 4Å; W358-L361 HydrophobicContact CZ3-CD1 4.26Å; W358-L361 PolarHBondContact O-N 3.04Å; E359-L361 VanDerWaalsContact C-N 3.34Å; E359-L361 PolarHBondContact O-N 2.8Å; L361-V363 VanDerWaalsContact C-N 3.32Å; L361-V363 PolarHBondContact O-N 3.02Å; L361-A364 WeakPolarHBondContact O-CB 3.36Å; L361-A364 PolarHBondContact O-N 2.93Å; L361-A364 VanDerWaalsContact O-N 3.16Å; L361-D365 PolarHBondContact O-N 3.05Å
362T92.9Very high92.4Very high60 Ų6051 Ų5137%0.36825%0.249SC..Hα-helixtrans-60.7-43.3175.9-56.10000111.1W358 E359 D365 A366 V454 M455W358-T362 PolarHBondContact O-N 3.18Å; W358-T362 PolarHBondContact O-OG1 3.23Å; E359-T362 WeakPolarHBondContact O-CB 3.3Å; E359-T362 PolarHBondContact O-N 2.82Å; T362-D365 PolarHBondContact O-N 3.3Å; T362-A366 PolarHBondContact O-N 3.03Å; T362-V454 HydrophobicContact CG2-CB 3.99Å; T362-V454 HydrophobicContact CG2-CG2 4.23Å; T362-M455 HydrophobicContact CG2-SD 4.17Å
363V93.6Very high92.9Very high0 Ų054.7 Ų54.70%027%0.266CS..Hα-helixtrans-66-40.8174.11750000111.3L346 L352 L355 E359 R360 L361 D365 A366 L367 L446 F451 M455L346-V363 HydrophobicContact CD1-CB 4.22Å; L346-V363 HydrophobicContact CD1-CG1 3.92Å; L346-V363 HydrophobicContact CD2-CG1 3.85Å; L352-V363 HydrophobicContact CD1-CG1 4.49Å; L355-V363 HydrophobicContact CD1-CB 4.45Å; L355-V363 HydrophobicContact CD1-CG2 3.86Å; E359-V363 WeakPolarHBondContact O-CG2 3.34Å; E359-V363 PolarHBondContact O-N 2.65Å; R360-V363 PolarHBondContact O-N 2.74Å; L361-V363 VanDerWaalsContact C-N 3.32Å; L361-V363 PolarHBondContact O-N 3.02Å; V363-D365 VanDerWaalsContact C-N 3.3Å; V363-D365 PolarHBondContact O-N 3.43Å; V363-A366 WeakPolarHBondContact O-CB 3.18Å; V363-A366 PolarHBondContact O-N 2.84Å; V363-L367 PolarHBondContact O-N 3.28Å; V363-L446 HydrophobicContact CG1-CD2 3.76Å; V363-F451 HydrophobicContact CG2-CD2 4.43Å; V363-F451 HydrophobicContact CG2-CE2 4.01Å; V363-M455 HydrophobicContact CG2-CG 3.67Å; V363-M455 HydrophobicContact CG2-SD 4.07Å
364A93.4Very high93.4Very high2 Ų256.4 Ų56.42%0.01728%0.276CS..Hα-helixtrans-59.6-40.5177.600000112.2Y342 L346 R360 L361 A366 L367Y342-A364 WeakPolarHBondContact CD2-O 3.22Å; L346-A364 HydrophobicContact CD1-CB 3.86Å; R360-A364 WeakPolarHBondContact O-CB 3.4Å; R360-A364 PolarHBondContact O-N 2.85Å; L361-A364 WeakPolarHBondContact O-CB 3.36Å; L361-A364 PolarHBondContact O-N 2.93Å; L361-A364 VanDerWaalsContact O-N 3.16Å; A364-A366 VanDerWaalsContact C-N 3.26Å; A364-A366 PolarHBondContact O-N 2.87Å; A364-L367 PolarHBondContact O-N 3.48Å
365D91.3Very high93.8Very high80 Ų8056.8 Ų56.843%0.42829%0.288SS..Hα-helixtrans-71.7-20.2176.2-71.1-19.7000113.2R339 L361 T362 V363R339-D365 IonicContact CZ-OD1 3.15Å; R339-D365 IonicContact CZ-OD2 3.68Å; R339-D365 IonicContact NE-OD1 3.1Å; R339-D365 PolarHBondContact NE-OD1 2.8Å; R339-D365 IonicContact NE-OD2 2.65Å; R339-D365 PolarHBondContact NE-OD2 3.32Å; R339-D365 IonicContact NH2-OD1 2.85Å; R339-D365 PolarHBondContact NH2-OD1 2.67Å; R339-D365 IonicContact NH2-OD2 2.7Å; R339-D365 PolarHBondContact NH2-OD2 3.35Å; L361-D365 PolarHBondContact O-N 3.05Å; T362-D365 PolarHBondContact O-N 3.3Å; V363-D365 VanDerWaalsContact C-N 3.3Å; V363-D365 PolarHBondContact O-N 3.43Å
366A93.7Very high94.1Very high4 Ų460.9 Ų60.93%0.03331%0.307CS..Hα-helixtrans-85.3-11.9176.500000113.6T362 V363 A364 L446 R450 V454T362-A366 PolarHBondContact O-N 3.03Å; V363-A366 WeakPolarHBondContact O-CB 3.18Å; V363-A366 PolarHBondContact O-N 2.84Å; A364-A366 VanDerWaalsContact C-N 3.26Å; A364-A366 PolarHBondContact O-N 2.87Å; A366-L446 HydrophobicContact CB-CD1 3.91Å; A366-R450 HydrophobicContact CB-CG 4.31Å; A366-R450 VanDerWaalsContact O-CD 3.32Å; A366-R450 WeakPolarHBondContact O-CD 3.49Å; A366-R450 PolarHBondContact O-NE 3.12Å; A366-R450 PolarHBondContact O-NH2 2.64Å; A366-V454 HydrophobicContact CB-CG2 4.29Å
367L94.3Very high94.4Very high12 Ų1259.1 Ų59.16%0.06330%0.299CS..  trans-68.7138.3179.7-73.3167.6000112.1Y342 L346 V363 A364 V444 L446Y342-L367 HydrophobicContact CD2-CB 4.07Å; Y342-L367 HydrophobicContact CD2-CD1 3.76Å; Y342-L367 HydrophobicContact CE2-CB 4.09Å; Y342-L367 HydrophobicContact CE2-CD1 4.47Å; Y342-L367 HydrophobicContact CG-CD1 3.85Å; L346-L367 HydrophobicContact CD1-CD1 4.2Å; L346-L367 HydrophobicContact CD2-CD1 4.48Å; L346-L367 HydrophobicContact CG-CD1 4.39Å; V363-L367 PolarHBondContact O-N 3.28Å; A364-L367 PolarHBondContact O-N 3.48Å; L367-V444 HydrophobicContact CB-CB 4.19Å; L367-V444 HydrophobicContact CD1-CG2 4.09Å; L367-V444 HydrophobicContact CD2-CB 4.16Å; L367-V444 HydrophobicContact CD2-CG2 4Å; L367-V444 HydrophobicContact CG-CG2 4.48Å; L367-L446 HydrophobicContact CD2-CB 4.01Å
368E93.2Very high94.7Very high71 Ų7155.3 Ų55.333%0.33228%0.284SS..EExtended strand (participates in β ladder)trans-107.9127.1174.9-62.8-169.6147.900111.3V444 K445 R450E368-V444 CarbonylContact O-C 3.58Å; E368-V444 VanDerWaalsContact O-CA 3.26Å; E368-V444 WeakPolarHBondContact O-CA 3.2Å; E368-K445 HydrophobicContact CB-CG 4.04Å; E368-K445 PolarHBondContact N-O 3.03Å; E368-K445 PolarHBondContact O-N 2.95Å; E368-K445 VanDerWaalsContact OE2-CE 3.24Å; E368-K445 WeakPolarHBondContact OE2-CE 3.23Å; E368-R450 IonicContact OE1-CZ 2.74Å; E368-R450 IonicContact OE1-NH1 3.67Å; E368-R450 PolarHBondContact OE1-NH1 3.47Å
369P92.8Very high95Very high96 Ų9648.8 Ų48.862%0.62326%0.261SS*.EExtended strand (participates in β ladder)trans-70.2136172.929.4-33.3000111
370V95.4Very high95.2Very high33 Ų3353.3 Ų53.320%0.228%0.277CS..EExtended strand (participates in β ladder)trans-136.5148.5174.8-68.10000110.4F372 F389 C443 K445V370-F372 HydrophobicContact CB-CE2 4.25Å; V370-F372 HydrophobicContact CB-CZ 4.36Å; V370-F372 HydrophobicContact CG2-CE2 3.74Å; V370-F372 HydrophobicContact CG2-CZ 4.08Å; V370-F389 HydrophobicContact CG2-CD1 4.37Å; V370-F389 HydrophobicContact CG2-CE1 4.31Å; V370-C443 HydrophobicContact CG2-CB 3.87Å; V370-C443 PolarHBondContact N-O 3.28Å; V370-C443 PolarHBondContact O-N 3.4Å; V370-K445 HydrophobicContact CG1-CD 3.75Å; V370-K445 HydrophobicContact CG1-CG 3.89Å; V370-K445 HydrophobicContact CG2-CB 4.34Å; V370-K445 HydrophobicContact CG2-CG 4.36Å
371R96.1Very high95.2Very high122 Ų12254.3 Ų54.346%0.4628%0.283SS..EExtended strand (participates in β ladder)trans-128.8142.7-178.4176.9179.3167.71680.9109.7E373 T440 L441R371-E373 IonicContact CZ-OE1 2.83Å; R371-E373 IonicContact NE-OE1 3.55Å; R371-E373 PolarHBondContact NE-OE1 3Å; R371-E373 IonicContact NH2-OE1 3.72Å; R371-E373 PolarHBondContact NH2-OE1 3.34Å; R371-E373 IonicContact NH2-OE2 3.88Å; R371-T440 HydrophobicContact CG-CG2 4.48Å; R371-L441 WeakPolarHBondContact CA-O 3.49Å
372F97.9Very high95.3Very high34 Ų3455 Ų5515%0.14930%0.299CS..EExtended strand (participates in β ladder)trans-129.5145.3175.8-53.3-85.4000110V370 E376 V378 F389 A437 L441 C443V370-F372 HydrophobicContact CB-CE2 4.25Å; V370-F372 HydrophobicContact CB-CZ 4.36Å; V370-F372 HydrophobicContact CG2-CE2 3.74Å; V370-F372 HydrophobicContact CG2-CZ 4.08Å; F372-E376 VanDerWaalsContact CA-OE2 3.25Å; F372-E376 WeakPolarHBondContact CA-OE2 3.25Å; F372-E376 HydrophobicContact CB-CB 4.25Å; F372-V378 HydrophobicContact CD1-CG2 4.13Å; F372-V378 HydrophobicContact CD2-CG1 4.47Å; F372-V378 HydrophobicContact CD2-CG2 3.84Å; F372-V378 HydrophobicContact CE1-CB 4.4Å; F372-V378 HydrophobicContact CE1-CG1 4.11Å; F372-V378 HydrophobicContact CE1-CG2 4.25Å; F372-V378 HydrophobicContact CE2-CB 4.44Å; F372-V378 HydrophobicContact CE2-CG1 3.75Å; F372-V378 HydrophobicContact CE2-CG2 3.97Å; F372-V378 HydrophobicContact CG-CG2 3.92Å; F372-V378 HydrophobicContact CZ-CB 4.27Å; F372-V378 HydrophobicContact CZ-CG1 3.54Å; F372-V378 HydrophobicContact CZ-CG2 4.18Å; F372-F389 HydrophobicContact CZ-CE1 4.37Å; F372-A437 HydrophobicContact CB-CB 4.19Å; F372-L441 HydrophobicContact CB-CB 4.29Å; F372-L441 HydrophobicContact CD2-CD2 4.15Å; F372-L441 PolarHBondContact N-O 3.33Å; F372-L441 PolarHBondContact O-N 3.41Å; F372-C443 HydrophobicContact CE2-CB 4.49Å
373E98.1Very high95.3Very high79 Ų7957.1 Ų57.137%0.36930%0.304SS..  trans-90.4167.7174.2-61.4-56.8146.500111.7R371 G375 E376 A437R371-E373 IonicContact CZ-OE1 2.83Å; R371-E373 IonicContact NE-OE1 3.55Å; R371-E373 PolarHBondContact NE-OE1 3Å; R371-E373 IonicContact NH2-OE1 3.72Å; R371-E373 PolarHBondContact NH2-OE1 3.34Å; R371-E373 IonicContact NH2-OE2 3.88Å; E373-G375 PolarHBondContact O-N 3.48Å; E373-E376 HydrophobicContact CB-CG 4.18Å; E373-E376 PolarHBondContact N-OE2 3.08Å; E373-E376 VanDerWaalsContact O-CB 3.3Å; E373-E376 WeakPolarHBondContact O-CB 3.26Å; E373-E376 WeakPolarHBondContact O-CG 3.43Å; E373-E376 PolarHBondContact O-N 2.96Å; E373-E376 VanDerWaalsContact O-N 3.08Å; E373-A437 WeakPolarHBondContact O-CB 3.46Å
374D98.2Very high95.3Very high115 Ų11563.2 Ų63.262%0.61533%0.332SS*.THydrogen-bonded Turntrans-58.3132.2-176.5-174.336000112.3E376 G439D374-E376 PolarHBondContact O-N 3.37Å; D374-G439 PolarHBondContact OD1-N 3.21Å
375G97.2Very high94.9Very high46 Ų4663.7 Ų63.747%0.47434%0.337SS..THydrogen-bonded Turntrans77.5-3.6-177.700000115.2E373 V436 A437E373-G375 PolarHBondContact O-N 3.48Å; G375-V436 WeakPolarHBondContact O-CG1 3.25Å; G375-A437 PolarHBondContact N-O 2.85Å
376E98Very high95Very high90 Ų9062.7 Ų62.742%0.42133%0.332SS..  trans-69.6141174.9-69-170.6156.900111.6F372 E373 D374 V436 A437F372-E376 VanDerWaalsContact CA-OE2 3.25Å; F372-E376 WeakPolarHBondContact CA-OE2 3.25Å; F372-E376 HydrophobicContact CB-CB 4.25Å; E373-E376 HydrophobicContact CB-CG 4.18Å; E373-E376 PolarHBondContact N-OE2 3.08Å; E373-E376 VanDerWaalsContact O-CB 3.3Å; E373-E376 WeakPolarHBondContact O-CB 3.26Å; E373-E376 WeakPolarHBondContact O-CG 3.43Å; E373-E376 PolarHBondContact O-N 2.96Å; E373-E376 VanDerWaalsContact O-N 3.08Å; D374-E376 PolarHBondContact O-N 3.37Å; E376-V436 WeakPolarHBondContact O-CA 3.26Å; E376-A437 PolarHBondContact O-N 2.85Å
377V97.5Very high95.1Very high43 Ų4364 Ų6426%0.26134%0.339SS..EExtended strand (participates in β ladder)trans-92.8117.2-179.2-179.50000109.2V379 R380 T434 V435 V436V377-V379 VanDerWaalsContact CG1-O 3.3Å; V377-V379 WeakPolarHBondContact CG1-O 3.48Å; V377-R380 HydrophobicContact CB-CG 4.47Å; V377-R380 HydrophobicContact CG1-CG 3.42Å; V377-R380 VanDerWaalsContact CG1-CG 3.42Å; V377-T434 HydrophobicContact CG1-CG2 3.58Å; V377-V435 CarbonylContact C-O 3.56Å; V377-V436 HydrophobicContact CG2-CG2 4.09Å
378V97.3Very high95.1Very high18 Ų1863.5 Ų63.511%0.10934%0.336CS..EExtended strand (participates in β ladder)trans-76.8-44.6-179.2-174.70000111.1F372 F389 F420 V435 L441F372-V378 HydrophobicContact CD1-CG2 4.13Å; F372-V378 HydrophobicContact CD2-CG1 4.47Å; F372-V378 HydrophobicContact CD2-CG2 3.84Å; F372-V378 HydrophobicContact CE1-CB 4.4Å; F372-V378 HydrophobicContact CE1-CG1 4.11Å; F372-V378 HydrophobicContact CE1-CG2 4.25Å; F372-V378 HydrophobicContact CE2-CB 4.44Å; F372-V378 HydrophobicContact CE2-CG1 3.75Å; F372-V378 HydrophobicContact CE2-CG2 3.97Å; F372-V378 HydrophobicContact CG-CG2 3.92Å; F372-V378 HydrophobicContact CZ-CB 4.27Å; F372-V378 HydrophobicContact CZ-CG1 3.54Å; F372-V378 HydrophobicContact CZ-CG2 4.18Å; V378-F389 HydrophobicContact CG1-CD1 4.2Å; V378-F389 HydrophobicContact CG1-CE1 4.02Å; V378-F389 HydrophobicContact CG1-CE2 4.46Å; V378-F389 HydrophobicContact CG1-CZ 4.16Å; V378-F420 HydrophobicContact CB-CZ 4.32Å; V378-F420 HydrophobicContact CG1-CE2 3.97Å; V378-F420 HydrophobicContact CG1-CZ 3.71Å; V378-V435 HydrophobicContact CB-CB 4.42Å; V378-V435 HydrophobicContact CB-CG1 4.44Å; V378-V435 HydrophobicContact CG2-CG1 4.47Å; V378-V435 PolarHBondContact N-O 3.15Å; V378-L441 HydrophobicContact CG2-CD2 3.79Å
379V97.1Very high95.3Very high16 Ų1660.4 Ų60.410%0.09732%0.322CS..EExtended strand (participates in β ladder)trans-144146.8173.5-670000109.2V377 F389 F420 R431 T434 V435V377-V379 VanDerWaalsContact CG1-O 3.3Å; V377-V379 WeakPolarHBondContact CG1-O 3.48Å; V379-F389 HydrophobicContact CG1-CD2 4.49Å; V379-F389 HydrophobicContact CG1-CE2 3.81Å; V379-F389 HydrophobicContact CG1-CZ 4.45Å; V379-F420 HydrophobicContact CG1-CE2 4.36Å; V379-F420 HydrophobicContact CG2-CD2 4.28Å; V379-F420 HydrophobicContact CG2-CE2 4.05Å; V379-R431 HydrophobicContact CB-CG 4.15Å; V379-T434 CarbonylContact O-C 3.56Å; V379-T434 VanDerWaalsContact O-CA 3.23Å; V379-T434 WeakPolarHBondContact O-CA 3.33Å; V379-T434 WeakPolarHBondContact O-CG2 3.26Å; V379-V435 HydrophobicContact CG2-CB 3.85Å; V379-V435 HydrophobicContact CG2-CG2 3.72Å; V379-V435 PolarHBondContact O-N 3.34Å
380R96Very high95.4Very high126 Ų12655.9 Ų55.948%0.47529%0.292SS..  trans-108.3138.6176.6-65.5171.2-173.1-77.7-2.6111.2V377 G382 E383 R431V377-R380 HydrophobicContact CB-CG 4.47Å; V377-R380 HydrophobicContact CG1-CG 3.42Å; V377-R380 VanDerWaalsContact CG1-CG 3.42Å; R380-G382 PolarHBondContact O-N 3.04Å; R380-E383 HydrophobicContact CB-CG 3.93Å; R380-E383 WeakPolarHBondContact CB-OE2 3.07Å; R380-E383 WeakPolarHBondContact CD-OE1 3.19Å; R380-E383 WeakPolarHBondContact O-CB 3.37Å; R380-E383 PolarHBondContact O-N 3.4Å; R380-R431 WeakPolarHBondContact O-CB 3.31Å
381Q94.8Very high95.5Very high61 Ų6154.3 Ų54.329%0.28528%0.283SS..THydrogen-bonded Turntrans-55.3136173.3-176177.3-700110.8E383 R401 R431 T434Q381-E383 PolarHBondContact O-N 2.98Å; Q381-R401 PolarHBondContact NE2-O 2.99Å; Q381-R431 CarbonylContact C-O 3.59Å; Q381-R431 WeakPolarHBondContact CA-O 3.28Å; Q381-T434 WeakPolarHBondContact CB-OG1 3.22Å; Q381-T434 PolarHBondContact N-OG1 3.24Å
382G92.6Very high95.3Very high48 Ų4849.9 Ų49.950%0.49527%0.269SS..THydrogen-bonded Turntrans84.3-15.8179.200000114.7R380 R431R380-G382 PolarHBondContact O-N 3.04Å; G382-R431 PolarHBondContact N-O 2.98Å
383E93.8Very high95.1Very high104 Ų10453.2 Ų53.249%0.48629%0.285SS..  trans-74.2146.4172.5-67.6-175.7168.100110.5R380 Q381 P430 R431R380-E383 HydrophobicContact CB-CG 3.93Å; R380-E383 WeakPolarHBondContact CB-OE2 3.07Å; R380-E383 WeakPolarHBondContact CD-OE1 3.19Å; R380-E383 WeakPolarHBondContact O-CB 3.37Å; R380-E383 PolarHBondContact O-N 3.4Å; Q381-E383 PolarHBondContact O-N 2.98Å; E383-P430 CarbonylContact O-C 3.58Å; E383-P430 WeakPolarHBondContact O-CA 3.23Å; E383-R431 WeakPolarHBondContact O-CG 3.47Å; E383-R431 PolarHBondContact O-N 2.86Å
384H92.1Very high95.1Very high127 Ų12750.8 Ų50.859%0.58828%0.282SS*.BIsolated β-bridgetrans-76.7138.6168.8-67.570.4000108.1D428H384-D428 IonicContact CD2-OD1 3.6Å
385G85.5Confident95.1Very high12 Ų1247.8 Ų47.812%0.12427%0.268CS..  trans-150.6140.6174.900000111A424G385-A424 WeakPolarHBondContact O-CB 3.15Å
386D93.4Very high95.1Very high59 Ų5945.6 Ų45.632%0.31625%0.245SC..  trans-104.9-2.8-178.656.9-17.9000113.1D447 R448D386-D447 WeakPolarHBondContact O-CA 3.35Å; D386-R448 HydrophobicContact CB-CB 4.34Å; D386-R448 PolarHBondContact O-N 2.74Å
387D95.3Very high95.1Very high32 Ų3241.5 Ų41.517%0.17123%0.227CC..EExtended strand (participates in β ladder)trans-86.6135.8179.9-71.6-29.4000113F389 R431 K445 D447D387-F389 HydrophobicContact CB-CD2 4.18Å; D387-F389 HydrophobicContact CB-CE1 4.44Å; D387-F389 HydrophobicContact CB-CE2 3.33Å; D387-F389 HydrophobicContact CB-CZ 3.49Å; D387-F389 VanDerWaalsContact CB-CZ 3.49Å; D387-R431 VanDerWaalsContact O-CZ 3.25Å; D387-R431 PolarHBondContact O-NH1 2.99Å; D387-R431 PolarHBondContact O-NH2 3.24Å; D387-K445 IonicContact OD2-NZ 2.82Å; D387-D447 WeakPolarHBondContact OD1-CB 3.32Å
388F95.4Very high95.1Very high1 Ų140.1 Ų40.10%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-101.9140.1163.2161.5-117000109.6V349 L352 I390 Y419 F420 E422 L425 K445 L446V349-F388 HydrophobicContact CG1-CE2 4.38Å; V349-F388 HydrophobicContact CG1-CZ 3.87Å; V349-F388 HydrophobicContact CG2-CZ 3.91Å; L352-F388 HydrophobicContact CD1-CE1 4.34Å; F388-I390 HydrophobicContact CE1-CD1 3.78Å; F388-I390 HydrophobicContact CE1-CG1 3.69Å; F388-I390 HydrophobicContact CE2-CG1 4.28Å; F388-I390 HydrophobicContact CZ-CD1 3.83Å; F388-I390 HydrophobicContact CZ-CG1 3.45Å; F388-I390 VanDerWaalsContact CZ-CG1 3.45Å; F388-Y419 AromaticContact CE2-CD2 3.8Å; F388-Y419 HydrophobicContact CE2-CD2 3.8Å; F388-Y419 HydrophobicContact CE2-CG 4.04Å; F388-Y419 HydrophobicContact CZ-CG 4.41Å; F388-F420 WeakPolarHBondContact CD2-O 3.27Å; F388-E422 HydrophobicContact CD2-CB 3.87Å; F388-E422 HydrophobicContact CE2-CB 3.97Å; F388-L425 HydrophobicContact CB-CD1 3.83Å; F388-L425 HydrophobicContact CB-CD2 3.97Å; F388-L425 HydrophobicContact CB-CG 3.71Å; F388-L425 HydrophobicContact CD1-CD1 3.9Å; F388-L425 HydrophobicContact CG-CD1 3.94Å; F388-L425 HydrophobicContact CG-CG 4.35Å; F388-K445 CarbonylContact O-C 3.58Å; F388-K445 WeakPolarHBondContact O-CA 3.43Å; F388-L446 HydrophobicContact CD1-CB 4.37Å; F388-L446 PolarHBondContact N-O 3.47Å; F388-L446 PolarHBondContact O-N 3.39Å
389F97.1Very high95.1Very high7 Ų740.9 Ų40.93%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-127.2144.6-176.5-62.3-93.5000112.3V370 F372 V378 V379 D387 Y419 F420 C443 V444 K445V370-F389 HydrophobicContact CG2-CD1 4.37Å; V370-F389 HydrophobicContact CG2-CE1 4.31Å; F372-F389 HydrophobicContact CZ-CE1 4.37Å; V378-F389 HydrophobicContact CG1-CD1 4.2Å; V378-F389 HydrophobicContact CG1-CE1 4.02Å; V378-F389 HydrophobicContact CG1-CE2 4.46Å; V378-F389 HydrophobicContact CG1-CZ 4.16Å; V379-F389 HydrophobicContact CG1-CD2 4.49Å; V379-F389 HydrophobicContact CG1-CE2 3.81Å; V379-F389 HydrophobicContact CG1-CZ 4.45Å; D387-F389 HydrophobicContact CB-CD2 4.18Å; D387-F389 HydrophobicContact CB-CE1 4.44Å; D387-F389 HydrophobicContact CB-CE2 3.33Å; D387-F389 HydrophobicContact CB-CZ 3.49Å; D387-F389 VanDerWaalsContact CB-CZ 3.49Å; F389-Y419 CarbonylContact O-C 3.59Å; F389-Y419 VanDerWaalsContact O-CA 3.22Å; F389-Y419 WeakPolarHBondContact O-CA 3.49Å; F389-Y419 VanDerWaalsContact O-CB 3.31Å; F389-Y419 WeakPolarHBondContact O-CB 3.4Å; F389-F420 HydrophobicContact CB-CD1 4.1Å; F389-F420 HydrophobicContact CB-CD2 4.15Å; F389-F420 HydrophobicContact CB-CE1 3.61Å; F389-F420 HydrophobicContact CB-CE2 3.66Å; F389-F420 HydrophobicContact CB-CG 4.36Å; F389-F420 HydrophobicContact CB-CZ 3.37Å; F389-F420 HydrophobicContact CD1-CZ 4.36Å; F389-F420 HydrophobicContact CD2-CD2 4.03Å; F389-F420 AromaticContact CD2-CE2 3.42Å; F389-F420 HydrophobicContact CD2-CE2 3.42Å; F389-F420 VanDerWaalsContact CD2-CE2 3.42Å; F389-F420 AromaticContact CD2-CZ 3.92Å; F389-F420 HydrophobicContact CD2-CZ 3.92Å; F389-F420 HydrophobicContact CE2-CE2 4.2Å; F389-F420 HydrophobicContact CG-CD2 4.44Å; F389-F420 HydrophobicContact CG-CE1 4.39Å; F389-F420 AromaticContact CG-CE2 3.68Å; F389-F420 HydrophobicContact CG-CE2 3.68Å; F389-F420 AromaticContact CG-CZ 3.65Å; F389-F420 HydrophobicContact CG-CZ 3.65Å; F389-F420 PolarHBondContact N-O 2.91Å; F389-F420 PolarHBondContact O-N 3.22Å; F389-C443 HydrophobicContact CD1-CB 4.45Å; F389-V444 CarbonylContact C-O 3.52Å; F389-V444 WeakPolarHBondContact CA-O 3.38Å; F389-K445 HydrophobicContact CD1-CB 3.62Å; F389-K445 HydrophobicContact CE1-CB 3.61Å; F389-K445 HydrophobicContact CE1-CD 4.07Å; F389-K445 HydrophobicContact CE1-CG 4.45Å; F389-K445 HydrophobicContact CG-CB 4.39Å; F389-K445 HydrophobicContact CZ-CB 4.37Å
390I95.5Very high95Very high1 Ų141.8 Ų41.81%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-125.5129.7168.8-53.6174.6000108.3F345 L346 V349 F388 C443 V444F345-I390 HydrophobicContact CB-CD1 4.33Å; F345-I390 HydrophobicContact CB-CG2 3.91Å; F345-I390 HydrophobicContact CD2-CG2 4.41Å; F345-I390 HydrophobicContact CG-CG2 4.1Å; L346-I390 HydrophobicContact CD2-CD1 3.97Å; V349-I390 HydrophobicContact CG2-CD1 4.17Å; F388-I390 HydrophobicContact CE1-CD1 3.78Å; F388-I390 HydrophobicContact CE1-CG1 3.69Å; F388-I390 HydrophobicContact CE2-CG1 4.28Å; F388-I390 HydrophobicContact CZ-CD1 3.83Å; F388-I390 HydrophobicContact CZ-CG1 3.45Å; F388-I390 VanDerWaalsContact CZ-CG1 3.45Å; I390-C443 CarbonylContact O-C 3.52Å; I390-C443 WeakPolarHBondContact O-CA 3.47Å; I390-C443 VanDerWaalsContact O-CB 3.29Å; I390-C443 WeakPolarHBondContact O-CB 3.37Å; I390-V444 HydrophobicContact CB-CG2 3.74Å; I390-V444 HydrophobicContact CD1-CG2 4.34Å; I390-V444 HydrophobicContact CG1-CG2 4.35Å; I390-V444 PolarHBondContact N-O 2.84Å; I390-V444 PolarHBondContact O-N 2.89Å
391I95.8Very high94.8Very high0 Ų040.9 Ų40.90%022%0.221CC..EExtended strand (participates in β ladder)trans-79.1122.3177.1-58.4178.7000109.4A396 L414 S417 D418 F420 L441I391-A396 HydrophobicContact CD1-CB 4.16Å; I391-L414 HydrophobicContact CD1-CB 3.35Å; I391-L414 HydrophobicContact CD1-CD1 4.22Å; I391-L414 HydrophobicContact CD1-CG 4.43Å; I391-S417 PolarHBondContact O-N 2.95Å; I391-D418 PolarHBondContact N-O 2.96Å; I391-F420 HydrophobicContact CD1-CE1 4.41Å; I391-F420 HydrophobicContact CG1-CE1 4.13Å; I391-L441 HydrophobicContact CD1-CD1 4.23Å; I391-L441 HydrophobicContact CG1-CD1 4.35Å; I391-L441 HydrophobicContact CG2-CD1 3.73Å
392T93.2Very high94.3Very high29 Ų2942.8 Ų42.818%0.17824%0.239CC..EExtended strand (participates in β ladder)trans-97.2-38.3176.962.40000111.7F345 R442 V444F345-T392 HydrophobicContact CD2-CG2 4.21Å; F345-T392 HydrophobicContact CE2-CG2 3.68Å; F345-T392 HydrophobicContact CZ-CG2 4.49Å; T392-R442 PolarHBondContact N-O 2.64Å; T392-R442 WeakPolarHBondContact OG1-CB 3.33Å; T392-R442 PolarHBondContact OG1-O 2.94Å; T392-R442 VanDerWaalsContact OG1-O 3.1Å; T392-V444 HydrophobicContact CG2-CG1 3.99Å; T392-V444 HydrophobicContact CG2-CG2 4.16Å
393E94.4Very high93.8Very high103 Ų10343.5 Ų43.548%0.48124%0.236SC..EExtended strand (participates in β ladder)trans-146.2150.2178.7-58.7176.3-173.900110.4R442E393-R442 HydrophobicContact CB-CB 4.08Å; E393-R442 HydrophobicContact CB-CG 4.4Å; E393-R442 PolarHBondContact N-O 2.7Å; E393-R442 PolarHBondContact O-N 2.83Å; E393-R442 VanDerWaalsContact OE2-CD 3.28Å; E393-R442 WeakPolarHBondContact OE2-CD 3.3Å; E393-R442 IonicContact OE2-CZ 3.82Å; E393-R442 IonicContact OE2-NE 3.77Å; E393-R442 IonicContact OE2-NH1 2.59Å
394G96.4Very high93.1Very high29 Ų2947.4 Ų47.430%0.29926%0.255SS..EExtended strand (participates in β ladder)trans88.1-172-179.700000114P416G394-P416 VanDerWaalsContact O-CD 3.26Å; G394-P416 WeakPolarHBondContact O-CD 3.48Å
395T98Very high92.4Very high52 Ų5247 Ų4732%0.31927%0.266SS..EExtended strand (participates in β ladder)trans-134.5151.3179.7510000110.9L414 R415 Q438T395-L414 VanDerWaalsContact CA-O 3.31Å; T395-L414 WeakPolarHBondContact CA-O 3.39Å; T395-R415 HydrophobicContact CG2-CG 4.39Å; T395-Q438 WeakPolarHBondContact O-CA 3.46Å; T395-Q438 PolarHBondContact O-N 3.22Å; T395-Q438 PolarHBondContact OG1-O 2.93Å
396A98.4Very high92Very high0 Ų047.3 Ų47.30%027%0.27CS..EExtended strand (participates in β ladder)trans-131.6145.917700000111.2I391 K413 L414 V435 V436 L441I391-A396 HydrophobicContact CD1-CB 4.16Å; A396-K413 CarbonylContact O-C 3.53Å; A396-K413 VanDerWaalsContact O-CA 3.31Å; A396-K413 WeakPolarHBondContact O-CA 3.28Å; A396-L414 HydrophobicContact CB-CB 4.41Å; A396-L414 PolarHBondContact N-O 3.32Å; A396-L414 PolarHBondContact O-N 3.18Å; A396-V435 HydrophobicContact CB-CG1 3.72Å; A396-V436 CarbonylContact C-O 3.46Å; A396-V436 WeakPolarHBondContact CA-O 3.34Å; A396-V436 WeakPolarHBondContact CB-O 3.28Å; A396-L441 HydrophobicContact CB-CD1 4.3Å; A396-L441 HydrophobicContact CB-CD2 4.04Å
397A98.1Very high91.7Very high4 Ų452.6 Ų52.63%0.03329%0.292CS..EExtended strand (participates in β ladder)trans-91.7139.9169.500000110.6L399 E410 V435 V436 Q438A397-L399 HydrophobicContact CB-CD2 4.23Å; A397-E410 HydrophobicContact CB-CG 4.29Å; A397-V435 WeakPolarHBondContact O-CA 3.48Å; A397-V436 PolarHBondContact N-O 3.04Å; A397-V436 PolarHBondContact O-N 2.73Å; A397-Q438 HydrophobicContact CB-CG 4.05Å
398V98.1Very high91.4Very high14 Ų1455.4 Ų55.49%0.08530%0.304CS..EExtended strand (participates in β ladder)trans-101.9115.5171.8-171.90000107.5E410 V411 G412 L414 A433 T434V398-E410 CarbonylContact O-C 3.57Å; V398-E410 WeakPolarHBondContact O-CA 3.42Å; V398-V411 HydrophobicContact CB-CG2 3.99Å; V398-V411 HydrophobicContact CG1-CG2 3.65Å; V398-V411 WeakPolarHBondContact O-CG2 3.15Å; V398-V411 PolarHBondContact O-N 3.35Å; V398-G412 PolarHBondContact N-O 2.94Å; V398-L414 HydrophobicContact CG2-CD1 3.77Å; V398-L414 HydrophobicContact CG2-CD2 4.07Å; V398-L414 HydrophobicContact CG2-CG 3.61Å; V398-A433 HydrophobicContact CG1-CB 3.54Å; V398-T434 CarbonylContact C-O 3.47Å; V398-T434 WeakPolarHBondContact CA-O 3.45Å
399L96.9Very high91.4Very high34 Ų3459.1 Ų59.118%0.17833%0.327CS..EExtended strand (participates in β ladder)trans-109.1126.8-180-50.2-179.1000109.3A397 Q408 V409 E410 T434 V436A397-L399 HydrophobicContact CB-CD2 4.23Å; L399-Q408 HydrophobicContact CB-CB 4.36Å; L399-V409 CarbonylContact C-O 3.58Å; L399-V409 WeakPolarHBondContact CA-O 3.44Å; L399-E410 HydrophobicContact CD2-CB 3.75Å; L399-E410 HydrophobicContact CD2-CG 4.07Å; L399-T434 PolarHBondContact N-O 2.82Å; L399-T434 PolarHBondContact O-N 3.18Å; L399-V436 HydrophobicContact CD1-CG2 3.72Å; L399-V436 HydrophobicContact CG-CG2 4.24Å
400Q94.8Very high91.3Very high35 Ų3563.2 Ų63.216%0.16435%0.346CS..EExtended strand (participates in β ladder)trans-121138.8176.1-165.8175.528.400110P402 V409 V411 A432 A433Q400-P402 WeakPolarHBondContact O-CD 3.43Å; Q400-V409 PolarHBondContact N-O 3.21Å; Q400-V409 PolarHBondContact O-N 2.95Å; Q400-V411 HydrophobicContact CB-CB 4.47Å; Q400-V411 HydrophobicContact CB-CG1 3.66Å; Q400-V411 HydrophobicContact CB-CG2 3.93Å; Q400-A432 PolarHBondContact NE2-O 3.17Å; Q400-A433 HydrophobicContact CB-CB 4.4Å
401R92.3Very high91.2Very high106 Ų10665.8 Ų65.840%0.436%0.362SS..  trans-98.3110.8168.2-166.3-173.1-70.8177.82.1108.5Q381 S403 E404 G406 Q408Q381-R401 PolarHBondContact NE2-O 2.99Å; R401-S403 VanDerWaalsContact C-N 3.34Å; R401-S403 WeakPolarHBondContact CD-O 3.44Å; R401-S403 WeakPolarHBondContact CG-O 3.25Å; R401-S403 PolarHBondContact O-N 2.91Å; R401-E404 WeakPolarHBondContact CD-O 3.43Å; R401-E404 PolarHBondContact NH1-O 3.1Å; R401-G406 WeakPolarHBondContact CD-O 3.36Å; R401-G406 WeakPolarHBondContact CG-O 3.36Å; R401-G406 PolarHBondContact NE-O 2.87Å; R401-G406 VanDerWaalsContact NE-O 3.15Å; R401-Q408 HydrophobicContact CB-CG 4.37Å
402P83.9Confident91.2Very high102 Ų10267 Ų6766%0.66238%0.375SS*.SBendtrans-70.3-25.5-176.5-21.834.3000114.6Q400Q400-P402 WeakPolarHBondContact O-CD 3.43Å
403S82.7Confident91.4Very high63 Ų6371.3 Ų71.344%0.44139%0.391SS..SBendtrans-140.7153.5-179.759.90000110.4R401 S405 G406R401-S403 VanDerWaalsContact C-N 3.34Å; R401-S403 WeakPolarHBondContact CD-O 3.44Å; R401-S403 WeakPolarHBondContact CG-O 3.25Å; R401-S403 PolarHBondContact O-N 2.91Å; S403-S405 PolarHBondContact O-N 2.85Å; S403-G406 PolarHBondContact O-N 2.9Å; S403-G406 PolarHBondContact OG-N 2.91Å
404E78.5Confident91.5Very high186 Ų18667.7 Ų67.787%0.86938%0.375SS*.THydrogen-bonded Turntrans-54.5-34.4-174.1-65.2-172163.100113.9R401R401-E404 WeakPolarHBondContact CD-O 3.43Å; R401-E404 PolarHBondContact NH1-O 3.1Å
405S76.8Confident91.5Very high117 Ų11774.3 Ų74.382%0.81839%0.39SS*.THydrogen-bonded Turntrans-95.30.8178.366.20000114.9S403S403-S405 PolarHBondContact O-N 2.85Å
406G77.4Confident91.3Very high20 Ų2074.7 Ų74.721%0.20639%0.394CS..SBendtrans-76.8157.8-177.200000113.1R401 S403R401-G406 WeakPolarHBondContact CD-O 3.36Å; R401-G406 WeakPolarHBondContact CG-O 3.36Å; R401-G406 PolarHBondContact NE-O 2.87Å; R401-G406 VanDerWaalsContact NE-O 3.15Å; S403-G406 PolarHBondContact O-N 2.9Å; S403-G406 PolarHBondContact OG-N 2.91Å
407E87.3Confident90.9Very high170 Ų17075.9 Ų75.979%0.79440%0.402SS*.PPolyproline II helixtrans-70.7154.5166.4-66.5-172.4166.800110.5
408Q89.6Confident90.7Very high90 Ų9078.7 Ų78.742%0.42142%0.417SS..PPolyproline II helixtrans-73.4128.7171.4-75-174.5-20.400109.3L399 R401L399-Q408 HydrophobicContact CB-CB 4.36Å; R401-Q408 HydrophobicContact CB-CG 4.37Å
409V93.7Very high90.5Very high80 Ų8080.2 Ų80.249%0.48542%0.421SS..EExtended strand (participates in β ladder)trans-113.4136.2177.3-175.90000108.6L399 Q400 V411L399-V409 CarbonylContact C-O 3.58Å; L399-V409 WeakPolarHBondContact CA-O 3.44Å; Q400-V409 PolarHBondContact N-O 3.21Å; Q400-V409 PolarHBondContact O-N 2.95Å; V409-V411 PolarHBondContact O-N 2.95Å
410E95.2Very high90.4Very high92 Ų9279.5 Ų79.543%0.4342%0.417SS..EExtended strand (participates in β ladder)trans-69115.6171.4-171.4-179.1135.400109.5A397 V398 L399 K413A397-E410 HydrophobicContact CB-CG 4.29Å; V398-E410 CarbonylContact O-C 3.57Å; V398-E410 WeakPolarHBondContact O-CA 3.42Å; L399-E410 HydrophobicContact CD2-CB 3.75Å; L399-E410 HydrophobicContact CD2-CG 4.07Å; E410-K413 WeakPolarHBondContact OE1-CE 3.29Å; E410-K413 VanDerWaalsContact OE1-CG 3.29Å; E410-K413 WeakPolarHBondContact OE1-CG 3.44Å; E410-K413 IonicContact OE1-NZ 3.98Å
411V94.7Very high90.3Very high56 Ų5678.7 Ų78.734%0.33942%0.418SS..EExtended strand (participates in β ladder)trans-100.7-10.6-179-66.30000112.9I108 V398 Q400 V409I108-V411 HydrophobicContact CD1-CB 4.07Å; I108-V411 HydrophobicContact CD1-CG2 3.69Å; V398-V411 HydrophobicContact CB-CG2 3.99Å; V398-V411 HydrophobicContact CG1-CG2 3.65Å; V398-V411 WeakPolarHBondContact O-CG2 3.15Å; V398-V411 PolarHBondContact O-N 3.35Å; Q400-V411 HydrophobicContact CB-CB 4.47Å; Q400-V411 HydrophobicContact CB-CG1 3.66Å; Q400-V411 HydrophobicContact CB-CG2 3.93Å; V409-V411 PolarHBondContact O-N 2.95Å
412G95.1Very high90.2Very high26 Ų2675.6 Ų75.627%0.26841%0.408SS..EExtended strand (participates in β ladder)trans177.9174.1177.500000113.7V398V398-G412 PolarHBondContact N-O 2.94Å
413K97.1Very high90.4Very high118 Ų11872.8 Ų72.851%0.51339%0.387SS..EExtended strand (participates in β ladder)trans-126.6137.3173.6-63.8-169.2178.4-1610110.1A396 E410A396-K413 CarbonylContact O-C 3.53Å; A396-K413 VanDerWaalsContact O-CA 3.31Å; A396-K413 WeakPolarHBondContact O-CA 3.28Å; E410-K413 WeakPolarHBondContact OE1-CE 3.29Å; E410-K413 VanDerWaalsContact OE1-CG 3.29Å; E410-K413 WeakPolarHBondContact OE1-CG 3.44Å; E410-K413 IonicContact OE1-NZ 3.98Å
414L97Very high90.8Very high27 Ų2770.1 Ų70.114%0.14137%0.368CS..EExtended strand (participates in β ladder)trans-104.6143.1175.4-54176.2000109.7I391 T395 A396 V398 D418 F420 V435I391-L414 HydrophobicContact CD1-CB 3.35Å; I391-L414 HydrophobicContact CD1-CD1 4.22Å; I391-L414 HydrophobicContact CD1-CG 4.43Å; T395-L414 VanDerWaalsContact CA-O 3.31Å; T395-L414 WeakPolarHBondContact CA-O 3.39Å; A396-L414 HydrophobicContact CB-CB 4.41Å; A396-L414 PolarHBondContact N-O 3.32Å; A396-L414 PolarHBondContact O-N 3.18Å; V398-L414 HydrophobicContact CG2-CD1 3.77Å; V398-L414 HydrophobicContact CG2-CD2 4.07Å; V398-L414 HydrophobicContact CG2-CG 3.61Å; L414-D418 WeakPolarHBondContact CA-OD2 3.31Å; L414-D418 HydrophobicContact CB-CB 4.13Å; L414-D418 HydrophobicContact CD2-CB 4.18Å; L414-F420 HydrophobicContact CD1-CB 4.3Å; L414-F420 HydrophobicContact CD1-CD1 3.6Å; L414-F420 HydrophobicContact CD1-CE1 4.22Å; L414-F420 HydrophobicContact CD1-CG 4.16Å; L414-V435 HydrophobicContact CD1-CG1 4.27Å
415R95.9Very high91.3Very high168 Ų16861.3 Ų61.363%0.63433%0.327SS*.  trans-125.4171.9-174.5-65-177.2176.1-159.1-1.6110.3T395 S417 D418T395-R415 HydrophobicContact CG2-CG 4.39Å; R415-S417 PolarHBondContact O-N 3.37Å; R415-D418 PolarHBondContact N-OD2 3.2Å; R415-D418 VanDerWaalsContact O-CB 3.26Å; R415-D418 WeakPolarHBondContact O-CB 3.22Å; R415-D418 PolarHBondContact O-N 3.39Å
416P93.7Very high91.9Very high61 Ų6156.9 Ų56.940%0.39629%0.294SS..THydrogen-bonded Turntrans-54.8136.3174.5-2738000111.6G394 D418G394-P416 VanDerWaalsContact O-CD 3.26Å; G394-P416 WeakPolarHBondContact O-CD 3.48Å; P416-D418 VanDerWaalsContact C-N 3.32Å
417S89.7Confident92.3Very high24 Ų2458.4 Ų58.417%0.16830%0.297CS..THydrogen-bonded Turntrans80.2-10.1-169.7-32.70000116.6F345 R348 I391 R415F345-S417 WeakPolarHBondContact CE1-OG 3.26Å; R348-S417 PolarHBondContact NH1-OG 2.89Å; I391-S417 PolarHBondContact O-N 2.95Å; R415-S417 PolarHBondContact O-N 3.37Å
418D94.3Very high92.3Very high64 Ų6455.1 Ų55.134%0.34229%0.285SS..  trans-75.4154.7169.3-64.6-30.1000110I391 L414 R415 P416I391-D418 PolarHBondContact N-O 2.96Å; L414-D418 WeakPolarHBondContact CA-OD2 3.31Å; L414-D418 HydrophobicContact CB-CB 4.13Å; L414-D418 HydrophobicContact CD2-CB 4.18Å; R415-D418 PolarHBondContact N-OD2 3.2Å; R415-D418 VanDerWaalsContact O-CB 3.26Å; R415-D418 WeakPolarHBondContact O-CB 3.22Å; R415-D418 PolarHBondContact O-N 3.39Å; P416-D418 VanDerWaalsContact C-N 3.32Å
419Y94.6Very high92.2Very high45 Ų4556.7 Ų56.718%0.17629%0.287CS..EExtended strand (participates in β ladder)trans-134.8162.4-177.965.8-93.9000110.6V349 P350 F388 F389 E422V349-Y419 HydrophobicContact CG2-CD1 3.9Å; V349-Y419 HydrophobicContact CG2-CE1 4.43Å; V349-Y419 HydrophobicContact CG2-CG 4.17Å; P350-Y419 VanDerWaalsContact CD-CZ 3.42Å; P350-Y419 WeakPolarHBondContact CD-OH 3.47Å; P350-Y419 WeakPolarHBondContact CG-OH 3.47Å; F388-Y419 AromaticContact CE2-CD2 3.8Å; F388-Y419 HydrophobicContact CE2-CD2 3.8Å; F388-Y419 HydrophobicContact CE2-CG 4.04Å; F388-Y419 HydrophobicContact CZ-CG 4.41Å; F389-Y419 CarbonylContact O-C 3.59Å; F389-Y419 VanDerWaalsContact O-CA 3.22Å; F389-Y419 WeakPolarHBondContact O-CA 3.49Å; F389-Y419 VanDerWaalsContact O-CB 3.31Å; F389-Y419 WeakPolarHBondContact O-CB 3.4Å; Y419-E422 HydrophobicContact CD2-CB 4.35Å; Y419-E422 HydrophobicContact CE2-CB 4.37Å; Y419-E422 HydrophobicContact CE2-CG 4.15Å
420F94.6Very high92.1Very high20 Ų2056 Ų569%0.08828%0.284CS..EExtended strand (participates in β ladder)trans-157159.4176.259.1-84.3000111.4V378 V379 F388 F389 I391 L414 E422 V435V378-F420 HydrophobicContact CB-CZ 4.32Å; V378-F420 HydrophobicContact CG1-CE2 3.97Å; V378-F420 HydrophobicContact CG1-CZ 3.71Å; V379-F420 HydrophobicContact CG1-CE2 4.36Å; V379-F420 HydrophobicContact CG2-CD2 4.28Å; V379-F420 HydrophobicContact CG2-CE2 4.05Å; F388-F420 WeakPolarHBondContact CD2-O 3.27Å; F389-F420 HydrophobicContact CB-CD1 4.1Å; F389-F420 HydrophobicContact CB-CD2 4.15Å; F389-F420 HydrophobicContact CB-CE1 3.61Å; F389-F420 HydrophobicContact CB-CE2 3.66Å; F389-F420 HydrophobicContact CB-CG 4.36Å; F389-F420 HydrophobicContact CB-CZ 3.37Å; F389-F420 HydrophobicContact CD1-CZ 4.36Å; F389-F420 HydrophobicContact CD2-CD2 4.03Å; F389-F420 AromaticContact CD2-CE2 3.42Å; F389-F420 HydrophobicContact CD2-CE2 3.42Å; F389-F420 VanDerWaalsContact CD2-CE2 3.42Å; F389-F420 AromaticContact CD2-CZ 3.92Å; F389-F420 HydrophobicContact CD2-CZ 3.92Å; F389-F420 HydrophobicContact CE2-CE2 4.2Å; F389-F420 HydrophobicContact CG-CD2 4.44Å; F389-F420 HydrophobicContact CG-CE1 4.39Å; F389-F420 AromaticContact CG-CE2 3.68Å; F389-F420 HydrophobicContact CG-CE2 3.68Å; F389-F420 AromaticContact CG-CZ 3.65Å; F389-F420 HydrophobicContact CG-CZ 3.65Å; F389-F420 PolarHBondContact N-O 2.91Å; F389-F420 PolarHBondContact O-N 3.22Å; I391-F420 HydrophobicContact CD1-CE1 4.41Å; I391-F420 HydrophobicContact CG1-CE1 4.13Å; L414-F420 HydrophobicContact CD1-CB 4.3Å; L414-F420 HydrophobicContact CD1-CD1 3.6Å; L414-F420 HydrophobicContact CD1-CE1 4.22Å; L414-F420 HydrophobicContact CD1-CG 4.16Å; F420-E422 VanDerWaalsContact C-N 3.33Å; F420-V435 HydrophobicContact CD2-CG2 4.04Å; F420-V435 HydrophobicContact CE1-CG1 4.28Å; F420-V435 HydrophobicContact CE2-CB 4.31Å; F420-V435 HydrophobicContact CE2-CG1 4.36Å; F420-V435 HydrophobicContact CE2-CG2 4.18Å; F420-V435 HydrophobicContact CG-CG2 4.4Å; F420-V435 HydrophobicContact CZ-CG1 4.07Å
421G92Very high92.1Very high17 Ų1752.7 Ų52.718%0.17527%0.268CS..  trans79.117.2177.200000113.5I423 A424 R431G421-I423 PolarHBondContact O-N 3.29Å; G421-A424 WeakPolarHBondContact O-CB 3.32Å; G421-A424 PolarHBondContact O-N 3.28Å; G421-R431 VanDerWaalsContact CA-NH1 3.32Å
422E90.4Very high92Very high41 Ų4152.6 Ų52.619%0.19227%0.273CS..G310 helixtrans-61.1-31.3-18073.9-73.5178.400112.9I351 F388 Y419 F420 A424 L425 Y472I351-E422 HydrophobicContact CD1-CB 4.39Å; I351-E422 HydrophobicContact CD1-CG 4.33Å; I351-E422 HydrophobicContact CG2-CB 4.01Å; I351-E422 HydrophobicContact CG2-CG 4.44Å; F388-E422 HydrophobicContact CD2-CB 3.87Å; F388-E422 HydrophobicContact CE2-CB 3.97Å; Y419-E422 HydrophobicContact CD2-CB 4.35Å; Y419-E422 HydrophobicContact CE2-CB 4.37Å; Y419-E422 HydrophobicContact CE2-CG 4.15Å; F420-E422 VanDerWaalsContact C-N 3.33Å; E422-A424 PolarHBondContact O-N 3.09Å; E422-L425 WeakPolarHBondContact O-CB 2.95Å; E422-L425 PolarHBondContact O-N 3.3Å; E422-Y472 HydrophobicContact CG-CE1 4.26Å
423I88.9Confident91.9Very high44 Ų4452.3 Ų52.323%0.22627%0.268CS..G310 helixtrans-60.4-28.2173.5-56.2-58.7000111.3G421 L425 L426 L427 Y472G421-I423 PolarHBondContact O-N 3.29Å; I423-L425 PolarHBondContact O-N 2.96Å; I423-L426 PolarHBondContact O-N 3.44Å; I423-L427 PolarHBondContact O-N 3.24Å; I423-Y472 HydrophobicContact CD1-CD1 3.75Å; I423-Y472 HydrophobicContact CD1-CE1 4.34Å
424A90.3Very high91.9Very high6 Ų646.9 Ų46.95%0.0525%0.245CC..G310 helixtrans-65.7-18.2177.100000113G385 G421 E422 L426 R448G385-A424 WeakPolarHBondContact O-CB 3.15Å; G421-A424 WeakPolarHBondContact O-CB 3.32Å; G421-A424 PolarHBondContact O-N 3.28Å; E422-A424 PolarHBondContact O-N 3.09Å; A424-L426 VanDerWaalsContact C-N 3.32Å; A424-R448 PolarHBondContact O-NE 3.24Å; A424-R448 PolarHBondContact O-NH2 3.34Å
425L89.7Confident92Very high1 Ų145.9 Ų45.91%0.00524%0.24CC..G310 helixtrans-77.9-18.5170.9-63.5179000112.8F388 E422 I423 F451 C458F388-L425 HydrophobicContact CB-CD1 3.83Å; F388-L425 HydrophobicContact CB-CD2 3.97Å; F388-L425 HydrophobicContact CB-CG 3.71Å; F388-L425 HydrophobicContact CD1-CD1 3.9Å; F388-L425 HydrophobicContact CG-CD1 3.94Å; F388-L425 HydrophobicContact CG-CG 4.35Å; E422-L425 WeakPolarHBondContact O-CB 2.95Å; E422-L425 PolarHBondContact O-N 3.3Å; I423-L425 PolarHBondContact O-N 2.96Å; L425-F451 HydrophobicContact CD1-CD2 4.3Å; L425-F451 HydrophobicContact CD2-CB 4.1Å; L425-F451 HydrophobicContact CD2-CG 4.44Å; L425-C458 WeakPolarHBondContact O-CB 3.46Å
426L88.3Confident92.1Very high24 Ų2439 Ų3913%0.12622%0.216CC..THydrogen-bonded Turntrans-105.7-47.4-174.7-172.264000112.8I423 A424 C458 L462 I473I423-L426 PolarHBondContact O-N 3.44Å; A424-L426 VanDerWaalsContact C-N 3.32Å; L426-C458 HydrophobicContact CD1-CB 4.46Å; L426-L462 HydrophobicContact CD1-CD1 4.01Å; L426-L462 HydrophobicContact CD2-CD1 3.95Å; L426-I473 HydrophobicContact CD2-CD1 3.82Å
427L86.6Confident92.3Very high53 Ų5336.1 Ų36.128%0.27720%0.198SC..  trans-137.2147.4-170.6-59.6173.6000111.4I423 R429 R448 S476I423-L427 PolarHBondContact O-N 3.24Å; L427-R429 HydrophobicContact CB-CG 4.09Å; L427-R429 PolarHBondContact O-N 3.1Å; L427-R429 VanDerWaalsContact O-N 3.15Å; L427-R448 PolarHBondContact O-NH2 2.97Å; L427-S476 WeakPolarHBondContact CD1-OG 2.83Å
428D87.4Confident92.7Very high101 Ų10137.9 Ų37.954%0.5420%0.204SC..  trans-78.794.5169.1-165.222.4000110.1H384H384-D428 IonicContact CD2-OD1 3.6Å
429R86.9Confident92.8Very high122 Ų12236.1 Ų36.146%0.4620%0.201SC..  trans-128.6143.6179.7-73-67.7-165.2179.32110.1L427 S476L427-R429 HydrophobicContact CB-CG 4.09Å; L427-R429 PolarHBondContact O-N 3.1Å; L427-R429 VanDerWaalsContact O-N 3.15Å; R429-S476 VanDerWaalsContact CZ-O 3.22Å; R429-S476 PolarHBondContact NE-O 3.3Å; R429-S476 PolarHBondContact NH2-O 3.18Å
430P92.2Very high92.9Very high65 Ų6537.2 Ų37.242%0.42221%0.212SC..BIsolated β-bridgetrans-57.6145169.9-22.131.7000111.6E383 A432E383-P430 CarbonylContact O-C 3.58Å; E383-P430 WeakPolarHBondContact O-CA 3.23Å; P430-A432 PolarHBondContact O-N 2.61Å
431R94.5Very high93.1Very high23 Ų2336.2 Ų36.29%0.08721%0.208CC..  trans-61.7130.1175.7-59.3-64.9-173.4-179.74.6110.3V379 R380 Q381 G382 E383 D387 G421 A433V379-R431 HydrophobicContact CB-CG 4.15Å; R380-R431 WeakPolarHBondContact O-CB 3.31Å; Q381-R431 CarbonylContact C-O 3.59Å; Q381-R431 WeakPolarHBondContact CA-O 3.28Å; G382-R431 PolarHBondContact N-O 2.98Å; E383-R431 WeakPolarHBondContact O-CG 3.47Å; E383-R431 PolarHBondContact O-N 2.86Å; D387-R431 VanDerWaalsContact O-CZ 3.25Å; D387-R431 PolarHBondContact O-NH1 2.99Å; D387-R431 PolarHBondContact O-NH2 3.24Å; G421-R431 VanDerWaalsContact CA-NH1 3.32Å; R431-A433 VanDerWaalsContact C-N 3.33Å; R431-A433 PolarHBondContact O-N 3.45Å
432A92Very high93.3Very high55 Ų5539.7 Ų39.746%0.45522%0.216SC..SBendtrans-74.5-21.4-17700000114.2Q400 P430Q400-A432 PolarHBondContact NE2-O 3.17Å; P430-A432 PolarHBondContact O-N 2.61Å
433A94.4Very high93.5Very high19 Ų1937.9 Ų37.916%0.15721%0.207CC..SBendtrans-149.1162.3-179.300000110.3V398 Q400 R431V398-A433 HydrophobicContact CG1-CB 3.54Å; Q400-A433 HydrophobicContact CB-CB 4.4Å; R431-A433 VanDerWaalsContact C-N 3.33Å; R431-A433 PolarHBondContact O-N 3.45Å
434T96.8Very high93.8Very high5 Ų535.8 Ų35.83%0.03120%0.197CC..EExtended strand (participates in β ladder)trans-89.7136.4170.8-56.60000108.4V377 V379 Q381 V398 L399 V436V377-T434 HydrophobicContact CG1-CG2 3.58Å; V379-T434 CarbonylContact O-C 3.56Å; V379-T434 VanDerWaalsContact O-CA 3.23Å; V379-T434 WeakPolarHBondContact O-CA 3.33Å; V379-T434 WeakPolarHBondContact O-CG2 3.26Å; Q381-T434 WeakPolarHBondContact CB-OG1 3.22Å; Q381-T434 PolarHBondContact N-OG1 3.24Å; V398-T434 CarbonylContact C-O 3.47Å; V398-T434 WeakPolarHBondContact CA-O 3.45Å; L399-T434 PolarHBondContact N-O 2.82Å; L399-T434 PolarHBondContact O-N 3.18Å; T434-V436 HydrophobicContact CG2-CG2 3.86Å
435V98Very high94.1Very high6 Ų637.8 Ų37.84%0.03620%0.204CC..EExtended strand (participates in β ladder)trans-114.5126.4174.5-179.10000108.5V377 V378 V379 A396 A397 L414 F420V377-V435 CarbonylContact C-O 3.56Å; V378-V435 HydrophobicContact CB-CB 4.42Å; V378-V435 HydrophobicContact CB-CG1 4.44Å; V378-V435 HydrophobicContact CG2-CG1 4.47Å; V378-V435 PolarHBondContact N-O 3.15Å; V379-V435 HydrophobicContact CG2-CB 3.85Å; V379-V435 HydrophobicContact CG2-CG2 3.72Å; V379-V435 PolarHBondContact O-N 3.34Å; A396-V435 HydrophobicContact CB-CG1 3.72Å; A397-V435 WeakPolarHBondContact O-CA 3.48Å; L414-V435 HydrophobicContact CD1-CG1 4.27Å; F420-V435 HydrophobicContact CD2-CG2 4.04Å; F420-V435 HydrophobicContact CE1-CG1 4.28Å; F420-V435 HydrophobicContact CE2-CB 4.31Å; F420-V435 HydrophobicContact CE2-CG1 4.36Å; F420-V435 HydrophobicContact CE2-CG2 4.18Å; F420-V435 HydrophobicContact CG-CG2 4.4Å; F420-V435 HydrophobicContact CZ-CG1 4.07Å
436V98.1Very high94.4Very high22 Ų2237.8 Ų37.813%0.13320%0.204CC..EExtended strand (participates in β ladder)trans-124.4132.7-175.2-170.90000109.8G375 E376 V377 A396 A397 L399 T434G375-V436 WeakPolarHBondContact O-CG1 3.25Å; E376-V436 WeakPolarHBondContact O-CA 3.26Å; V377-V436 HydrophobicContact CG2-CG2 4.09Å; A396-V436 CarbonylContact C-O 3.46Å; A396-V436 WeakPolarHBondContact CA-O 3.34Å; A396-V436 WeakPolarHBondContact CB-O 3.28Å; A397-V436 PolarHBondContact N-O 3.04Å; A397-V436 PolarHBondContact O-N 2.73Å; L399-V436 HydrophobicContact CD1-CG2 3.72Å; L399-V436 HydrophobicContact CG-CG2 4.24Å; T434-V436 HydrophobicContact CG2-CG2 3.86Å
437A98.6Very high94.7Very high2 Ų237.9 Ų37.92%0.01721%0.205CC..EExtended strand (participates in β ladder)trans-64.7132.8176.100000111.3F372 E373 G375 E376 L441F372-A437 HydrophobicContact CB-CB 4.19Å; E373-A437 WeakPolarHBondContact O-CB 3.46Å; G375-A437 PolarHBondContact N-O 2.85Å; E376-A437 PolarHBondContact O-N 2.85Å; A437-L441 HydrophobicContact CB-CB 3.78Å; A437-L441 HydrophobicContact CB-CD2 4.03Å
438Q97.3Very high95.1Very high60 Ų6037.3 Ų37.328%0.2820%0.199SC..EExtended strand (participates in β ladder)trans-110.195.8169.5-68.8-168.6-29.300107.8T395 A397T395-Q438 WeakPolarHBondContact O-CA 3.46Å; T395-Q438 PolarHBondContact O-N 3.22Å; T395-Q438 PolarHBondContact OG1-O 2.93Å; A397-Q438 HydrophobicContact CB-CG 4.05Å
439G96.9Very high95.5Very high28 Ų2839.3 Ų39.329%0.28920%0.203SC..EExtended strand (participates in β ladder)trans81.2-172-165.500000112.9D374 L441D374-G439 PolarHBondContact OD1-N 3.21Å; G439-L441 PolarHBondContact O-N 2.82Å
440T97.2Very high95.8Very high67 Ų6736.5 Ų36.541%0.41119%0.192SC..EExtended strand (participates in β ladder)trans-62123.3172.7-54.60000110.1R371R371-T440 HydrophobicContact CG-CG2 4.48Å
441L97.9Very high95.9Very high0 Ų033.4 Ų33.40%017%0.172CC..EExtended strand (participates in β ladder)trans-116.7128.5-178.3-17775.1000109.4R371 F372 V378 I391 A396 A437 G439R371-L441 WeakPolarHBondContact CA-O 3.49Å; F372-L441 HydrophobicContact CB-CB 4.29Å; F372-L441 HydrophobicContact CD2-CD2 4.15Å; F372-L441 PolarHBondContact N-O 3.33Å; F372-L441 PolarHBondContact O-N 3.41Å; V378-L441 HydrophobicContact CG2-CD2 3.79Å; I391-L441 HydrophobicContact CD1-CD1 4.23Å; I391-L441 HydrophobicContact CG1-CD1 4.35Å; I391-L441 HydrophobicContact CG2-CD1 3.73Å; A396-L441 HydrophobicContact CB-CD1 4.3Å; A396-L441 HydrophobicContact CB-CD2 4.04Å; A437-L441 HydrophobicContact CB-CB 3.78Å; A437-L441 HydrophobicContact CB-CD2 4.03Å; G439-L441 PolarHBondContact O-N 2.82Å
442R96Very high96Very high90 Ų9036.2 Ų36.234%0.3419%0.186SC..EExtended strand (participates in β ladder)trans-113.6131.9170.6-59.8-172.8179.9-172.5-10.7109.3T392 E393T392-R442 PolarHBondContact N-O 2.64Å; T392-R442 WeakPolarHBondContact OG1-CB 3.33Å; T392-R442 PolarHBondContact OG1-O 2.94Å; T392-R442 VanDerWaalsContact OG1-O 3.1Å; E393-R442 HydrophobicContact CB-CB 4.08Å; E393-R442 HydrophobicContact CB-CG 4.4Å; E393-R442 PolarHBondContact N-O 2.7Å; E393-R442 PolarHBondContact O-N 2.83Å; E393-R442 VanDerWaalsContact OE2-CD 3.28Å; E393-R442 WeakPolarHBondContact OE2-CD 3.3Å; E393-R442 IonicContact OE2-CZ 3.82Å; E393-R442 IonicContact OE2-NE 3.77Å; E393-R442 IonicContact OE2-NH1 2.59Å
443C96.2Very high96.1Very high2 Ų242.5 Ų42.51%0.01420%0.199CC..EExtended strand (participates in β ladder)trans-131.3165.5176.4-54.20000110V370 F372 F389 I390V370-C443 HydrophobicContact CG2-CB 3.87Å; V370-C443 PolarHBondContact N-O 3.28Å; V370-C443 PolarHBondContact O-N 3.4Å; F372-C443 HydrophobicContact CE2-CB 4.49Å; F389-C443 HydrophobicContact CD1-CB 4.45Å; I390-C443 CarbonylContact O-C 3.52Å; I390-C443 WeakPolarHBondContact O-CA 3.47Å; I390-C443 VanDerWaalsContact O-CB 3.29Å; I390-C443 WeakPolarHBondContact O-CB 3.37Å
444V95.2Very high96.1Very high1 Ų144.9 Ų44.91%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-111.8144.2158-69.40000108.7Y342 L367 E368 F389 I390 T392Y342-V444 HydrophobicContact CD1-CG1 4.3Å; Y342-V444 HydrophobicContact CE1-CG1 3.51Å; Y342-V444 HydrophobicContact CE2-CG1 4.08Å; Y342-V444 VanDerWaalsContact OH-CG1 3.3Å; Y342-V444 WeakPolarHBondContact OH-CG1 3.43Å; L367-V444 HydrophobicContact CB-CB 4.19Å; L367-V444 HydrophobicContact CD1-CG2 4.09Å; L367-V444 HydrophobicContact CD2-CB 4.16Å; L367-V444 HydrophobicContact CD2-CG2 4Å; L367-V444 HydrophobicContact CG-CG2 4.48Å; E368-V444 CarbonylContact O-C 3.58Å; E368-V444 VanDerWaalsContact O-CA 3.26Å; E368-V444 WeakPolarHBondContact O-CA 3.2Å; F389-V444 CarbonylContact C-O 3.52Å; F389-V444 WeakPolarHBondContact CA-O 3.38Å; I390-V444 HydrophobicContact CB-CG2 3.74Å; I390-V444 HydrophobicContact CD1-CG2 4.34Å; I390-V444 HydrophobicContact CG1-CG2 4.35Å; I390-V444 PolarHBondContact N-O 2.84Å; I390-V444 PolarHBondContact O-N 2.89Å; T392-V444 HydrophobicContact CG2-CG1 3.99Å; T392-V444 HydrophobicContact CG2-CG2 4.16Å
445K96.2Very high95.9Very high48 Ų4846.2 Ų46.221%0.20922%0.217CC..EExtended strand (participates in β ladder)trans-123.7156.7178.773.1168.5-173.5162.20112.9E368 V370 D387 F388 F389E368-K445 HydrophobicContact CB-CG 4.04Å; E368-K445 PolarHBondContact N-O 3.03Å; E368-K445 PolarHBondContact O-N 2.95Å; E368-K445 VanDerWaalsContact OE2-CE 3.24Å; E368-K445 WeakPolarHBondContact OE2-CE 3.23Å; V370-K445 HydrophobicContact CG1-CD 3.75Å; V370-K445 HydrophobicContact CG1-CG 3.89Å; V370-K445 HydrophobicContact CG2-CB 4.34Å; V370-K445 HydrophobicContact CG2-CG 4.36Å; D387-K445 IonicContact OD2-NZ 2.82Å; F388-K445 CarbonylContact O-C 3.58Å; F388-K445 WeakPolarHBondContact O-CA 3.43Å; F389-K445 HydrophobicContact CD1-CB 3.62Å; F389-K445 HydrophobicContact CE1-CB 3.61Å; F389-K445 HydrophobicContact CE1-CD 4.07Å; F389-K445 HydrophobicContact CE1-CG 4.45Å; F389-K445 HydrophobicContact CG-CB 4.39Å; F389-K445 HydrophobicContact CZ-CB 4.37Å
446L95.8Very high95.7Very high1 Ų147.1 Ų47.11%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-144.4121.4172.8-175.758.4000109.9V363 A366 L367 F388 R450 F451V363-L446 HydrophobicContact CG1-CD2 3.76Å; A366-L446 HydrophobicContact CB-CD1 3.91Å; L367-L446 HydrophobicContact CD2-CB 4.01Å; F388-L446 HydrophobicContact CD1-CB 4.37Å; F388-L446 PolarHBondContact N-O 3.47Å; F388-L446 PolarHBondContact O-N 3.39Å; L446-R450 HydrophobicContact CD1-CB 4.09Å; L446-R450 HydrophobicContact CD1-CG 3.95Å; L446-F451 HydrophobicContact CD2-CB 4.24Å; L446-F451 HydrophobicContact CD2-CD2 3.71Å; L446-F451 HydrophobicContact CD2-CG 4.47Å; L446-F451 HydrophobicContact CG-CB 4.27Å
447D95Very high95.4Very high26 Ų2648.9 Ų48.914%0.13924%0.239CC..EExtended strand (participates in β ladder)trans-83.3151.5175.867.896.1000111.7D386 D387 K449 R450 F451D386-D447 WeakPolarHBondContact O-CA 3.35Å; D387-D447 WeakPolarHBondContact OD1-CB 3.32Å; D447-K449 VanDerWaalsContact C-N 3.31Å; D447-K449 PolarHBondContact O-N 2.9Å; D447-K449 WeakPolarHBondContact OD1-CB 3.39Å; D447-K449 PolarHBondContact OD1-N 3.2Å; D447-R450 VanDerWaalsContact CG-CB 3.48Å; D447-R450 PolarHBondContact O-N 2.89Å; D447-R450 WeakPolarHBondContact OD1-CB 3.43Å; D447-R450 PolarHBondContact OD1-N 2.99Å; D447-R450 WeakPolarHBondContact OD2-CB 3.3Å; D447-F451 PolarHBondContact O-N 2.91Å
448R94.6Very high95Very high41 Ų4148.9 Ų48.916%0.15524%0.239CC..Hα-helixtrans-53.2-45.4178.4-171.9-175-52.5145.414.6112.5D386 A424 L427 R450 F451 E452D386-R448 HydrophobicContact CB-CB 4.34Å; D386-R448 PolarHBondContact O-N 2.74Å; A424-R448 PolarHBondContact O-NE 3.24Å; A424-R448 PolarHBondContact O-NH2 3.34Å; L427-R448 PolarHBondContact O-NH2 2.97Å; R448-R450 VanDerWaalsContact C-N 3.33Å; R448-R450 PolarHBondContact O-N 3.49Å; R448-F451 PolarHBondContact O-N 3.06Å; R448-E452 HydrophobicContact CG-CG 4.31Å; R448-E452 WeakPolarHBondContact O-CG 3.26Å; R448-E452 PolarHBondContact O-N 3.24Å
449K94.9Very high94.6Very high143 Ų14347.5 Ų47.562%0.62224%0.236SC*.Hα-helixtrans-65.5-37.4-175.9-65.3176-178.1166.80111.5D447 R453D447-K449 VanDerWaalsContact C-N 3.31Å; D447-K449 PolarHBondContact O-N 2.9Å; D447-K449 WeakPolarHBondContact OD1-CB 3.39Å; D447-K449 PolarHBondContact OD1-N 3.2Å; K449-R453 WeakPolarHBondContact O-CB 3.26Å; K449-R453 VanDerWaalsContact O-CG 3.23Å; K449-R453 WeakPolarHBondContact O-CG 3.48Å; K449-R453 PolarHBondContact O-N 2.94Å; K449-R453 VanDerWaalsContact O-N 3.11Å; K449-R453 PolarHBondContact O-NE 2.93Å
450R94.9Very high94.3Very high62 Ų6250.1 Ų50.123%0.23424%0.244CC..Hα-helixtrans-69.7-42.8174.7-173.5174.3-168.9156.7-11.3111.7A366 E368 L446 D447 R448 R453 V454A366-R450 HydrophobicContact CB-CG 4.31Å; A366-R450 VanDerWaalsContact O-CD 3.32Å; A366-R450 WeakPolarHBondContact O-CD 3.49Å; A366-R450 PolarHBondContact O-NE 3.12Å; A366-R450 PolarHBondContact O-NH2 2.64Å; E368-R450 IonicContact OE1-CZ 2.74Å; E368-R450 IonicContact OE1-NH1 3.67Å; E368-R450 PolarHBondContact OE1-NH1 3.47Å; L446-R450 HydrophobicContact CD1-CB 4.09Å; L446-R450 HydrophobicContact CD1-CG 3.95Å; D447-R450 VanDerWaalsContact CG-CB 3.48Å; D447-R450 PolarHBondContact O-N 2.89Å; D447-R450 WeakPolarHBondContact OD1-CB 3.43Å; D447-R450 PolarHBondContact OD1-N 2.99Å; D447-R450 WeakPolarHBondContact OD2-CB 3.3Å; R448-R450 VanDerWaalsContact C-N 3.33Å; R448-R450 PolarHBondContact O-N 3.49Å; R450-R453 PolarHBondContact O-N 2.84Å; R450-V454 WeakPolarHBondContact O-CG2 3.42Å; R450-V454 PolarHBondContact O-N 3.49Å
451F94.4Very high94Very high0 Ų047.1 Ų47.10%023%0.225CC..Hα-helixtrans-56.8-51.7173.3-175.6-82.1000110.9L352 V363 L425 L446 D447 R448 R453 V454 M455 C458 I461L352-F451 HydrophobicContact CD2-CE2 3.96Å; L352-F451 HydrophobicContact CD2-CZ 4.31Å; V363-F451 HydrophobicContact CG2-CD2 4.43Å; V363-F451 HydrophobicContact CG2-CE2 4.01Å; L425-F451 HydrophobicContact CD1-CD2 4.3Å; L425-F451 HydrophobicContact CD2-CB 4.1Å; L425-F451 HydrophobicContact CD2-CG 4.44Å; L446-F451 HydrophobicContact CD2-CB 4.24Å; L446-F451 HydrophobicContact CD2-CD2 3.71Å; L446-F451 HydrophobicContact CD2-CG 4.47Å; L446-F451 HydrophobicContact CG-CB 4.27Å; D447-F451 PolarHBondContact O-N 2.91Å; R448-F451 PolarHBondContact O-N 3.06Å; F451-R453 VanDerWaalsContact C-N 3.3Å; F451-R453 PolarHBondContact O-N 3.37Å; F451-V454 WeakPolarHBondContact O-CG2 3.18Å; F451-V454 PolarHBondContact O-N 3.2Å; F451-V454 VanDerWaalsContact O-N 3.14Å; F451-M455 HydrophobicContact CD1-CB 4.09Å; F451-M455 HydrophobicContact CE1-CB 3.69Å; F451-M455 HydrophobicContact CE1-CG 4.31Å; F451-M455 HydrophobicContact CE2-CB 4.38Å; F451-M455 HydrophobicContact CE2-CG 4.11Å; F451-M455 HydrophobicContact CZ-CB 3.85Å; F451-M455 HydrophobicContact CZ-CG 4Å; F451-M455 WeakPolarHBondContact O-CB 3.48Å; F451-M455 PolarHBondContact O-N 3.43Å; F451-C458 HydrophobicContact CD1-CB 4.13Å; F451-C458 HydrophobicContact CE1-CB 3.66Å; F451-C458 HydrophobicContact CZ-CB 4.31Å; F451-I461 HydrophobicContact CE1-CD1 3.87Å; F451-I461 HydrophobicContact CZ-CD1 3.66Å
452E94.9Very high93.5Very high82 Ų8247.1 Ų47.138%0.38323%0.225SC..Hα-helixtrans-63.1-33.9-178.2-71.9-178.6169.600113.3R448 V454 G456R448-E452 HydrophobicContact CG-CG 4.31Å; R448-E452 WeakPolarHBondContact O-CG 3.26Å; R448-E452 PolarHBondContact O-N 3.24Å; E452-V454 VanDerWaalsContact C-N 3.31Å; E452-V454 PolarHBondContact O-N 3.38Å; E452-G456 WeakPolarHBondContact CA-O 3.49Å; E452-G456 WeakPolarHBondContact O-CA 3.31Å; E452-G456 PolarHBondContact O-N 2.99Å
453R95Very high93.2Very high188 Ų18847.5 Ų47.571%0.70923%0.229SC*.Hα-helixtrans-64.5-33.1176-80.7-177.9-63.3165.71.4113.5K449 R450 F451K449-R453 WeakPolarHBondContact O-CB 3.26Å; K449-R453 VanDerWaalsContact O-CG 3.23Å; K449-R453 WeakPolarHBondContact O-CG 3.48Å; K449-R453 PolarHBondContact O-N 2.94Å; K449-R453 VanDerWaalsContact O-N 3.11Å; K449-R453 PolarHBondContact O-NE 2.93Å; R450-R453 PolarHBondContact O-N 2.84Å; F451-R453 VanDerWaalsContact C-N 3.3Å; F451-R453 PolarHBondContact O-N 3.37Å
454V93.7Very high92.9Very high68 Ų6853.6 Ų53.641%0.41225%0.252SS..Hα-helixtrans-101.3-28.8-174.9-56.50000113.1T362 A366 R450 F451 E452T362-V454 HydrophobicContact CG2-CB 3.99Å; T362-V454 HydrophobicContact CG2-CG2 4.23Å; A366-V454 HydrophobicContact CB-CG2 4.29Å; R450-V454 WeakPolarHBondContact O-CG2 3.42Å; R450-V454 PolarHBondContact O-N 3.49Å; F451-V454 WeakPolarHBondContact O-CG2 3.18Å; F451-V454 PolarHBondContact O-N 3.2Å; F451-V454 VanDerWaalsContact O-N 3.14Å; E452-V454 VanDerWaalsContact C-N 3.31Å; E452-V454 PolarHBondContact O-N 3.38Å
455M93.1Very high92.6Very high34 Ų3456.1 Ų56.117%0.16727%0.265CS..Hα-helixtrans-117-12-175.5-71.6-45.3-5600114.6L355 E359 T362 V363 F451 I461L355-M455 HydrophobicContact CD2-CE 4.04Å; E359-M455 HydrophobicContact CB-CE 3.59Å; E359-M455 HydrophobicContact CB-SD 4.2Å; E359-M455 HydrophobicContact CG-CE 3.63Å; T362-M455 HydrophobicContact CG2-SD 4.17Å; V363-M455 HydrophobicContact CG2-CG 3.67Å; V363-M455 HydrophobicContact CG2-SD 4.07Å; F451-M455 HydrophobicContact CD1-CB 4.09Å; F451-M455 HydrophobicContact CE1-CB 3.69Å; F451-M455 HydrophobicContact CE1-CG 4.31Å; F451-M455 HydrophobicContact CE2-CB 4.38Å; F451-M455 HydrophobicContact CE2-CG 4.11Å; F451-M455 HydrophobicContact CZ-CB 3.85Å; F451-M455 HydrophobicContact CZ-CG 4Å; F451-M455 WeakPolarHBondContact O-CB 3.48Å; F451-M455 PolarHBondContact O-N 3.43Å; M455-I461 HydrophobicContact CB-CD1 3.88Å; M455-I461 HydrophobicContact CE-CD1 3.87Å; M455-I461 HydrophobicContact CG-CD1 4.45Å
456G93.4Very high92.2Very high24 Ų2459.3 Ų59.325%0.24728%0.283CS..  trans73.6-173.6-16400000112.8E452 C458E452-G456 WeakPolarHBondContact CA-O 3.49Å; E452-G456 WeakPolarHBondContact O-CA 3.31Å; E452-G456 PolarHBondContact O-N 2.99Å; G456-C458 PolarHBondContact O-N 2.86Å
457P92.8Very high91.8Very high59 Ų5962.9 Ų62.938%0.38331%0.313SS..  trans-58129.1-177.4-25.135.4000113.1S459 D460P457-S459 PolarHBondContact O-N 3.39Å; P457-S459 VanDerWaalsContact O-N 3.14Å; P457-D460 PolarHBondContact O-N 3.46Å; P457-D460 VanDerWaalsContact O-N 3.08Å
458C90Very high91.2Very high2 Ų264 Ų641%0.01432%0.317CS..Hα-helixtrans-58.7-29.9179.1-171.70000112.8L425 L426 F451 G456 D460 I461 L462L425-C458 WeakPolarHBondContact O-CB 3.46Å; L426-C458 HydrophobicContact CD1-CB 4.46Å; F451-C458 HydrophobicContact CD1-CB 4.13Å; F451-C458 HydrophobicContact CE1-CB 3.66Å; F451-C458 HydrophobicContact CZ-CB 4.31Å; G456-C458 PolarHBondContact O-N 2.86Å; C458-D460 VanDerWaalsContact C-N 3.26Å; C458-D460 PolarHBondContact O-N 2.87Å; C458-I461 PolarHBondContact O-N 2.9Å; C458-L462 PolarHBondContact O-N 2.98Å
459S88.8Confident90.7Very high31 Ų3164.9 Ų64.922%0.21732%0.32CS..Hα-helixtrans-59.4-34.5177.361.50000112.9P457 L462 K463P457-S459 PolarHBondContact O-N 3.39Å; P457-S459 VanDerWaalsContact O-N 3.14Å; S459-L462 PolarHBondContact O-N 2.81Å; S459-K463 WeakPolarHBondContact O-CG 3.31Å; S459-K463 PolarHBondContact O-N 2.85Å
460D91.4Very high90.2Very high84 Ų8462.5 Ų62.545%0.44932%0.315SS..Hα-helixtrans-74.3-32.5-179.6-65.4-27000112.1P457 C458 K463P457-D460 PolarHBondContact O-N 3.46Å; P457-D460 VanDerWaalsContact O-N 3.08Å; C458-D460 VanDerWaalsContact C-N 3.26Å; C458-D460 PolarHBondContact O-N 2.87Å; D460-K463 IonicContact OD1-NZ 3.81Å; D460-K463 PolarHBondContact OD1-NZ 3.34Å
461I90.5Very high89.8Confident4 Ų462 Ų622%0.02132%0.32CS..Hα-helixtrans-69.4-41.1172.9-67164000110.6L355 F451 M455 C458 R464L355-I461 HydrophobicContact CD2-CD1 3.95Å; L355-I461 HydrophobicContact CD2-CG1 4.44Å; L355-I461 HydrophobicContact CD2-CG2 3.63Å; L355-I461 HydrophobicContact CG-CG2 4.45Å; F451-I461 HydrophobicContact CE1-CD1 3.87Å; F451-I461 HydrophobicContact CZ-CD1 3.66Å; M455-I461 HydrophobicContact CB-CD1 3.88Å; M455-I461 HydrophobicContact CE-CD1 3.87Å; M455-I461 HydrophobicContact CG-CD1 4.45Å; C458-I461 PolarHBondContact O-N 2.9Å; I461-R464 VanDerWaalsContact O-CB 3.26Å; I461-R464 WeakPolarHBondContact O-CB 3.47Å; I461-R464 WeakPolarHBondContact O-CD 3.4Å; I461-R464 VanDerWaalsContact O-CG 3.25Å; I461-R464 WeakPolarHBondContact O-CG 3.22Å; I461-R464 PolarHBondContact O-N 3.08Å
462L87.5Confident89.2Confident0 Ų062.9 Ų62.90%032%0.324CS..Hα-helixtrans-67.9-36177.8-79.2169000113.1I351 L426 C458 S459 R464 N465 Y469 Y472I351-L462 HydrophobicContact CB-CD2 4.45Å; I351-L462 HydrophobicContact CD1-CD1 3.98Å; I351-L462 HydrophobicContact CG1-CD1 3.68Å; I351-L462 HydrophobicContact CG1-CD2 3.59Å; I351-L462 HydrophobicContact CG1-CG 4Å; I351-L462 WeakPolarHBondContact O-CD2 3.47Å; L426-L462 HydrophobicContact CD1-CD1 4.01Å; L426-L462 HydrophobicContact CD2-CD1 3.95Å; C458-L462 PolarHBondContact O-N 2.98Å; S459-L462 PolarHBondContact O-N 2.81Å; L462-R464 PolarHBondContact O-N 3.38Å; L462-N465 CarbonylContact O-C 3.58Å; L462-N465 PolarHBondContact O-N 3.41Å; L462-N465 VanDerWaalsContact O-O 3.1Å; L462-Y469 HydrophobicContact CB-CD2 3.83Å; L462-Y472 HydrophobicContact CD2-CD2 4.19Å; L462-Y472 HydrophobicContact CD2-CE2 4.39Å
463K89.3Confident88.5Confident97 Ų9761.1 Ų61.142%0.42232%0.317SS..THydrogen-bonded Turntrans-58.4-18.5176.3-76.7168.6-160.3160.90113.4S459 D460 N465 Y469S459-K463 WeakPolarHBondContact O-CG 3.31Å; S459-K463 PolarHBondContact O-N 2.85Å; D460-K463 IonicContact OD1-NZ 3.81Å; D460-K463 PolarHBondContact OD1-NZ 3.34Å; K463-N465 PolarHBondContact O-N 2.75Å; K463-Y469 HydrophobicContact CG-CD2 4.19Å; K463-Y469 HydrophobicContact CG-CE2 4.25Å
464R90.5Very high87.8Confident131 Ų13155.9 Ų55.949%0.49431%0.309SS..THydrogen-bonded Turntrans-57.4-27.6170.4-61.1176.7-175.9174.80112.5N354 E359 I461 L462N354-R464 HydrophobicContact CB-CB 4.18Å; N354-R464 PolarHBondContact O-NH1 3.27Å; E359-R464 VanDerWaalsContact CD-NH1 3.32Å; E359-R464 IonicContact OE1-CZ 3.65Å; E359-R464 IonicContact OE1-NH1 2.61Å; E359-R464 PolarHBondContact OE1-NH1 2.91Å; E359-R464 VanDerWaalsContact OE1-NH1 3.14Å; E359-R464 IonicContact OE1-NH2 3.43Å; E359-R464 PolarHBondContact OE1-NH2 3.13Å; E359-R464 IonicContact OE2-CZ 3.39Å; E359-R464 IonicContact OE2-NH1 2.77Å; E359-R464 PolarHBondContact OE2-NH1 3.5Å; E359-R464 IonicContact OE2-NH2 2.7Å; I461-R464 VanDerWaalsContact O-CB 3.26Å; I461-R464 WeakPolarHBondContact O-CB 3.47Å; I461-R464 WeakPolarHBondContact O-CD 3.4Å; I461-R464 VanDerWaalsContact O-CG 3.25Å; I461-R464 WeakPolarHBondContact O-CG 3.22Å; I461-R464 PolarHBondContact O-N 3.08Å; L462-R464 PolarHBondContact O-N 3.38Å
465N88.5Confident86.7Confident53 Ų5358.2 Ų58.228%0.28332%0.318SS..SBendtrans-127.691.4170.1-172.1-30.5000110N354 L462 K463 A467 K468 Y469N354-N465 VanDerWaalsContact ND2-CB 3.26Å; N354-N465 WeakPolarHBondContact ND2-CB 3.38Å; L462-N465 CarbonylContact O-C 3.58Å; L462-N465 PolarHBondContact O-N 3.41Å; L462-N465 VanDerWaalsContact O-O 3.1Å; K463-N465 PolarHBondContact O-N 2.75Å; N465-A467 PolarHBondContact O-N 3.12Å; N465-A467 PolarHBondContact OD1-N 3.46Å; N465-K468 HydrophobicContact CB-CB 4.26Å; N465-K468 HydrophobicContact CB-CD 4.48Å; N465-K468 HydrophobicContact CB-CG 4.46Å; N465-K468 PolarHBondContact O-N 3.02Å; N465-K468 VanDerWaalsContact O-N 3.1Å; N465-K468 PolarHBondContact OD1-N 2.78Å; N465-Y469 PolarHBondContact O-N 2.89Å
466I87.2Confident85.2Confident116 Ų11657.5 Ų57.560%0.59532%0.316SS*.Hα-helixtrans-56.7-35.1-176-61.5173.2000112.1Y469 N470I466-Y469 PolarHBondContact O-N 3Å; I466-N470 WeakPolarHBondContact O-CB 3.08Å; I466-N470 VanDerWaalsContact O-CG 3.28Å; I466-N470 PolarHBondContact O-N 2.8Å; I466-N470 PolarHBondContact O-ND2 3.49Å
467A86.9Confident83.3Confident76 Ų7664.2 Ų64.263%0.62835%0.352SS*.Hα-helixtrans-64-44.8178.800000111.8N465 S471N465-A467 PolarHBondContact O-N 3.12Å; N465-A467 PolarHBondContact OD1-N 3.46Å; A467-S471 PolarHBondContact O-N 3.5Å
468K83.3Confident82.8Confident49 Ų4964.5 Ų64.521%0.21335%0.351CS..Hα-helixtrans-66.6-44.3174.1-74.1-172.8176.9-176.90111.5D353 N465 N470 S471 Y472D353-K468 VanDerWaalsContact CB-NZ 3.31Å; D353-K468 IonicContact OD2-NZ 2.78Å; D353-K468 PolarHBondContact OD2-NZ 2.78Å; N465-K468 HydrophobicContact CB-CB 4.26Å; N465-K468 HydrophobicContact CB-CD 4.48Å; N465-K468 HydrophobicContact CB-CG 4.46Å; N465-K468 PolarHBondContact O-N 3.02Å; N465-K468 VanDerWaalsContact O-N 3.1Å; N465-K468 PolarHBondContact OD1-N 2.78Å; K468-N470 VanDerWaalsContact C-N 3.31Å; K468-N470 PolarHBondContact O-N 3.15Å; K468-S471 WeakPolarHBondContact O-CB 3.2Å; K468-S471 PolarHBondContact O-N 2.79Å; K468-S471 PolarHBondContact O-OG 3.07Å; K468-Y472 VanDerWaalsContact O-CD2 3.32Å; K468-Y472 WeakPolarHBondContact O-CD2 3.06Å; K468-Y472 PolarHBondContact O-N 3.07Å; K468-Y472 VanDerWaalsContact O-N 3.12Å
469Y83.9Confident82.4Confident60 Ų6067.7 Ų67.724%0.23537%0.368CS..Hα-helixtrans-53-49.6176.9175.9-96.2000111.6L462 K463 N465 I466 S471 Y472 I473L462-Y469 HydrophobicContact CB-CD2 3.83Å; K463-Y469 HydrophobicContact CG-CD2 4.19Å; K463-Y469 HydrophobicContact CG-CE2 4.25Å; N465-Y469 PolarHBondContact O-N 2.89Å; I466-Y469 PolarHBondContact O-N 3Å; Y469-S471 VanDerWaalsContact C-N 3.29Å; Y469-S471 PolarHBondContact O-N 2.74Å; Y469-Y472 PolarHBondContact O-N 2.85Å; Y469-I473 HydrophobicContact CD1-CG1 4.17Å; Y469-I473 HydrophobicContact CD2-CG1 4.29Å; Y469-I473 HydrophobicContact CE1-CG1 3.73Å; Y469-I473 HydrophobicContact CE2-CD1 4.12Å; Y469-I473 HydrophobicContact CE2-CG1 3.87Å; Y469-I473 HydrophobicContact CG-CG1 4.44Å; Y469-I473 WeakPolarHBondContact O-CG1 3.33Å; Y469-I473 PolarHBondContact O-N 3.07Å
470N85.2Confident82.1Confident93 Ų9369.8 Ų69.850%0.49738%0.377SS..Hα-helixtrans-60.6-37.9178.5-71.3-17.7000112.3I466 K468 Y472 I473 S474I466-N470 WeakPolarHBondContact O-CB 3.08Å; I466-N470 VanDerWaalsContact O-CG 3.28Å; I466-N470 PolarHBondContact O-N 2.8Å; I466-N470 PolarHBondContact O-ND2 3.49Å; K468-N470 VanDerWaalsContact C-N 3.31Å; K468-N470 PolarHBondContact O-N 3.15Å; N470-Y472 PolarHBondContact O-N 3.22Å; N470-I473 PolarHBondContact O-N 3.15Å; N470-S474 VanDerWaalsContact O-CB 3.27Å; N470-S474 WeakPolarHBondContact O-CB 3.49Å; N470-S474 PolarHBondContact O-N 2.87Å; N470-S474 PolarHBondContact O-OG 3.17Å
471S84.6Confident81.5Confident50 Ų5068.9 Ų68.935%0.3537%0.372SS..Hα-helixtrans-62.8-41.1177.175.50000112.6A467 K468 Y469 S474 L475A467-S471 PolarHBondContact O-N 3.5Å; K468-S471 WeakPolarHBondContact O-CB 3.2Å; K468-S471 PolarHBondContact O-N 2.79Å; K468-S471 PolarHBondContact O-OG 3.07Å; Y469-S471 VanDerWaalsContact C-N 3.29Å; Y469-S471 PolarHBondContact O-N 2.74Å; S471-S474 WeakPolarHBondContact CA-OG 3.13Å; S471-S474 PolarHBondContact O-OG 2.99Å; S471-L475 WeakPolarHBondContact O-CB 3.43Å; S471-L475 WeakPolarHBondContact O-CD1 3.45Å; S471-L475 WeakPolarHBondContact O-CG 3.37Å; S471-L475 PolarHBondContact O-N 3.39Å; S471-L475 VanDerWaalsContact O-N 3.13Å
472Y82.8Confident81Confident20 Ų2073 Ų738%0.07839%0.394CS..Hα-helixtrans-71.5-42.2178.5-80.2-73.6000112.1I351 E422 I423 L462 K468 Y469 N470 L475 S476I351-Y472 HydrophobicContact CB-CE1 4.22Å; I351-Y472 HydrophobicContact CB-CE2 4.03Å; I351-Y472 HydrophobicContact CD1-CD1 4.28Å; I351-Y472 HydrophobicContact CD1-CE1 4.19Å; I351-Y472 HydrophobicContact CG1-CD2 4.31Å; I351-Y472 HydrophobicContact CG1-CE1 4.23Å; I351-Y472 HydrophobicContact CG1-CE2 4.01Å; I351-Y472 PolarHBondContact N-OH 3.06Å; E422-Y472 HydrophobicContact CG-CE1 4.26Å; I423-Y472 HydrophobicContact CD1-CD1 3.75Å; I423-Y472 HydrophobicContact CD1-CE1 4.34Å; L462-Y472 HydrophobicContact CD2-CD2 4.19Å; L462-Y472 HydrophobicContact CD2-CE2 4.39Å; K468-Y472 VanDerWaalsContact O-CD2 3.32Å; K468-Y472 WeakPolarHBondContact O-CD2 3.06Å; K468-Y472 PolarHBondContact O-N 3.07Å; K468-Y472 VanDerWaalsContact O-N 3.12Å; Y469-Y472 PolarHBondContact O-N 2.85Å; N470-Y472 PolarHBondContact O-N 3.22Å; Y472-L475 PolarHBondContact O-N 3.05Å; Y472-S476 PolarHBondContact O-N 2.9Å
473I80.9Confident80.5Confident45 Ų4577.9 Ų77.923%0.23142%0.421CS..Hα-helixtrans-67.4-39.1177.4-61.9-60.2000110.9L426 Y469 N470 L475 S476 V477L426-I473 HydrophobicContact CD2-CD1 3.82Å; Y469-I473 HydrophobicContact CD1-CG1 4.17Å; Y469-I473 HydrophobicContact CD2-CG1 4.29Å; Y469-I473 HydrophobicContact CE1-CG1 3.73Å; Y469-I473 HydrophobicContact CE2-CD1 4.12Å; Y469-I473 HydrophobicContact CE2-CG1 3.87Å; Y469-I473 HydrophobicContact CG-CG1 4.44Å; Y469-I473 WeakPolarHBondContact O-CG1 3.33Å; Y469-I473 PolarHBondContact O-N 3.07Å; N470-I473 PolarHBondContact O-N 3.15Å; I473-L475 VanDerWaalsContact C-N 3.29Å; I473-L475 PolarHBondContact O-N 3.46Å; I473-S476 WeakPolarHBondContact O-CB 3.29Å; I473-S476 PolarHBondContact O-N 2.91Å; I473-S476 PolarHBondContact O-OG 2.82Å; I473-V477 PolarHBondContact O-N 3.31Å
474S79.2Confident79.9Confident78 Ų7876.5 Ų76.555%0.54542%0.421SS..Hα-helixtrans-66.8-29.4176.4630000113.5N470 S471 S476N470-S474 VanDerWaalsContact O-CB 3.27Å; N470-S474 WeakPolarHBondContact O-CB 3.49Å; N470-S474 PolarHBondContact O-N 2.87Å; N470-S474 PolarHBondContact O-OG 3.17Å; S471-S474 WeakPolarHBondContact CA-OG 3.13Å; S471-S474 PolarHBondContact O-OG 2.99Å; S474-S476 PolarHBondContact O-N 3.27Å
475L70.6Confident79.1Confident117 Ų11772.3 Ų72.361%0.61342%0.415SS*.THydrogen-bonded Turntrans-76.1-13.6173.4-72.2167.7000112.5S471 Y472 I473S471-L475 WeakPolarHBondContact O-CB 3.43Å; S471-L475 WeakPolarHBondContact O-CD1 3.45Å; S471-L475 WeakPolarHBondContact O-CG 3.37Å; S471-L475 PolarHBondContact O-N 3.39Å; S471-L475 VanDerWaalsContact O-N 3.13Å; Y472-L475 PolarHBondContact O-N 3.05Å; I473-L475 VanDerWaalsContact C-N 3.29Å; I473-L475 PolarHBondContact O-N 3.46Å
476S61.3Low78.3Confident18 Ų1873.9 Ų73.913%0.12643%0.426CS..THydrogen-bonded Turntrans-95.3-10.9-177.978.90000114.2L427 R429 Y472 I473 S474L427-S476 WeakPolarHBondContact CD1-OG 2.83Å; R429-S476 VanDerWaalsContact CZ-O 3.22Å; R429-S476 PolarHBondContact NE-O 3.3Å; R429-S476 PolarHBondContact NH2-O 3.18Å; Y472-S476 PolarHBondContact O-N 2.9Å; I473-S476 WeakPolarHBondContact O-CB 3.29Å; I473-S476 PolarHBondContact O-N 2.91Å; I473-S476 PolarHBondContact O-OG 2.82Å; S474-S476 PolarHBondContact O-N 3.27Å
477V53.7Low77.5Confident165 Ų16570.1 Ų70.1100%141%0.411SS*.  trans-102.90175.4-177.20000108.2I473I473-V477 PolarHBondContact O-N 3.31Å

Retrieved 477 of 477 residues in 649.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).