A0A3Q0KRE1_SCHMA Loading...

Strictosidine synthase-related

AlphaFold DB , UniProt , Accession A0A3Q0KRE1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 373 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
1M68.8Low80.9Confident183 Ų183122.1 Ų122.190%0.90159%0.589SS**  0-44.20-151.7169.27200113.5K5M1-K5 PolarHBondContact O-N 2.9Å
2I79.7Confident80.9Confident122 Ų122119.7 Ų119.763%0.62658%0.579SS**Hα-helixtrans-63.5-45.5179.1-65.7169.2000112.8L4 K5 K6I2-L4 VanDerWaalsContact C-N 3.33Å; I2-L4 PolarHBondContact O-N 3.33Å; I2-K5 WeakPolarHBondContact O-CB 3.49Å; I2-K5 PolarHBondContact O-N 3.29Å; I2-K5 VanDerWaalsContact O-N 3.15Å; I2-K6 PolarHBondContact O-N 3.49Å
3E82.3Confident81Confident127 Ų127115.8 Ų115.859%0.59356%0.562SS**Hα-helixtrans-63.7-37.2179.5-71.8-55.5129.200112.9K5 K6 L7E3-K5 PolarHBondContact O-N 3.2Å; E3-K6 PolarHBondContact O-N 2.87Å; E3-K6 IonicContact OE1-NZ 2.84Å; E3-K6 PolarHBondContact OE1-NZ 3.46Å; E3-L7 WeakPolarHBondContact O-CB 3.45Å; E3-L7 PolarHBondContact O-N 3.04Å
4L82Confident81.4Confident116 Ų116114.7 Ų114.761%0.60757%0.565SS**Hα-helixtrans-62.6-41.6173.4-172.865.4000111.5I2 L7 V8I2-L4 VanDerWaalsContact C-N 3.33Å; I2-L4 PolarHBondContact O-N 3.33Å; L4-L7 PolarHBondContact O-N 3.45Å; L4-V8 WeakPolarHBondContact O-CB 3.08Å; L4-V8 VanDerWaalsContact O-CG2 3.26Å; L4-V8 WeakPolarHBondContact O-CG2 3.1Å; L4-V8 PolarHBondContact O-N 2.87Å
5K76.8Confident81.4Confident143 Ų143115.1 Ų115.162%0.62257%0.569SS**Hα-helixtrans-62.4-42.5175.5-71.8-175.2177.2-172.70112.1M1 I2 E3 F9M1-K5 PolarHBondContact O-N 2.9Å; I2-K5 WeakPolarHBondContact O-CB 3.49Å; I2-K5 PolarHBondContact O-N 3.29Å; I2-K5 VanDerWaalsContact O-N 3.15Å; E3-K5 PolarHBondContact O-N 3.2Å; K5-F9 WeakPolarHBondContact O-CB 3.37Å; K5-F9 PolarHBondContact O-N 3.07Å
6K82.4Confident81.3Confident101 Ų101111.9 Ų111.944%0.43956%0.56SS.*Hα-helixtrans-64.2-42.2176.3-70179.4-172.7163.80111.9I2 E3 F9 R10I2-K6 PolarHBondContact O-N 3.49Å; E3-K6 PolarHBondContact O-N 2.87Å; E3-K6 IonicContact OE1-NZ 2.84Å; E3-K6 PolarHBondContact OE1-NZ 3.46Å; K6-F9 PolarHBondContact O-N 2.85Å; K6-R10 WeakPolarHBondContact O-CB 3.29Å; K6-R10 WeakPolarHBondContact O-CG 3.39Å; K6-R10 PolarHBondContact O-N 3.03Å
7L85.5Confident81.3Confident108 Ų108110.5 Ų110.557%0.56555%0.554SS**Hα-helixtrans-63.1-48.3178.1-171.272.4000110.9E3 L4 F9 R10 S11E3-L7 WeakPolarHBondContact O-CB 3.45Å; E3-L7 PolarHBondContact O-N 3.04Å; L4-L7 PolarHBondContact O-N 3.45Å; L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 3.11Å; L7-R10 PolarHBondContact O-N 3.05Å; L7-S11 PolarHBondContact O-N 2.91Å; L7-S11 PolarHBondContact O-OG 2.52Å; L7-S11 VanDerWaalsContact O-OG 3.09Å
8V82.7Confident81.3Confident77 Ų77106.4 Ų106.447%0.46754%0.544SS..Hα-helixtrans-57.8-46.2175.8170.80000111L4 R10 S11 I12L4-V8 WeakPolarHBondContact O-CB 3.08Å; L4-V8 VanDerWaalsContact O-CG2 3.26Å; L4-V8 WeakPolarHBondContact O-CG2 3.1Å; L4-V8 PolarHBondContact O-N 2.87Å; V8-R10 PolarHBondContact O-N 2.88Å; V8-S11 PolarHBondContact O-N 2.96Å; V8-I12 HydrophobicContact CG1-CD1 3.87Å; V8-I12 VanDerWaalsContact O-CG1 3.29Å; V8-I12 WeakPolarHBondContact O-CG1 3.28Å; V8-I12 PolarHBondContact O-N 2.94Å
9F81.2Confident81Confident134 Ų134106.6 Ų106.659%0.58854%0.538SS*.Hα-helixtrans-61.6-43.4178.2-175.5-104.6000112.8K5 K6 L7 I12 I13K5-F9 WeakPolarHBondContact O-CB 3.37Å; K5-F9 PolarHBondContact O-N 3.07Å; K6-F9 PolarHBondContact O-N 2.85Å; L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 3.11Å; F9-I12 PolarHBondContact O-N 3.33Å; F9-I13 HydrophobicContact CD1-CD1 3.75Å; F9-I13 HydrophobicContact CE1-CD1 3.3Å; F9-I13 HydrophobicContact CE1-CG1 4.38Å; F9-I13 HydrophobicContact CE2-CD1 4.49Å; F9-I13 HydrophobicContact CZ-CD1 3.73Å; F9-I13 HydrophobicContact CZ-CG1 4.5Å; F9-I13 WeakPolarHBondContact O-CG1 3.25Å; F9-I13 PolarHBondContact O-N 2.86Å
10R84.3Confident80.6Confident173 Ų173104.2 Ų104.265%0.65353%0.526SS*.Hα-helixtrans-63.8-43175.5-75177.7178.2-177.5-0.7112.1K6 L7 V8 I12 I13 V14K6-R10 WeakPolarHBondContact O-CB 3.29Å; K6-R10 WeakPolarHBondContact O-CG 3.39Å; K6-R10 PolarHBondContact O-N 3.03Å; L7-R10 PolarHBondContact O-N 3.05Å; V8-R10 PolarHBondContact O-N 2.88Å; R10-I12 VanDerWaalsContact C-N 3.33Å; R10-I12 PolarHBondContact O-N 2.84Å; R10-I13 PolarHBondContact O-N 2.86Å; R10-V14 WeakPolarHBondContact O-CG2 3.1Å; R10-V14 PolarHBondContact O-N 2.99Å
11S84.1Confident80.3Confident59 Ų59103.3 Ų103.341%0.41352%0.523SS..Hα-helixtrans-61.6-41.8177-62.50000111.6L7 V8 I13 V14 I15L7-S11 PolarHBondContact O-N 2.91Å; L7-S11 PolarHBondContact O-OG 2.52Å; L7-S11 VanDerWaalsContact O-OG 3.09Å; V8-S11 PolarHBondContact O-N 2.96Å; S11-I13 PolarHBondContact O-N 3.06Å; S11-V14 PolarHBondContact O-N 3.06Å; S11-I15 WeakPolarHBondContact O-CB 3.49Å; S11-I15 WeakPolarHBondContact O-CD1 3.45Å; S11-I15 VanDerWaalsContact O-CG1 3.22Å; S11-I15 WeakPolarHBondContact O-CG1 3.35Å; S11-I15 PolarHBondContact O-N 2.76Å
12I81.6Confident80.6Confident93 Ų9399.9 Ų99.948%0.47750%0.504SS..Hα-helixtrans-59.7-47.1174.5-68.5165.3000110.4V8 F9 R10 V14 I15 C16V8-I12 HydrophobicContact CG1-CD1 3.87Å; V8-I12 VanDerWaalsContact O-CG1 3.29Å; V8-I12 WeakPolarHBondContact O-CG1 3.28Å; V8-I12 PolarHBondContact O-N 2.94Å; F9-I12 PolarHBondContact O-N 3.33Å; R10-I12 VanDerWaalsContact C-N 3.33Å; R10-I12 PolarHBondContact O-N 2.84Å; I12-V14 PolarHBondContact O-N 2.97Å; I12-I15 PolarHBondContact O-N 2.82Å; I12-C16 WeakPolarHBondContact O-CB 3.29Å; I12-C16 PolarHBondContact O-N 2.81Å; I12-C16 PolarHBondContact O-SG 3.35Å
13I82.4Confident80Confident70 Ų7095.3 Ų95.336%0.35948%0.483SS..Hα-helixtrans-59.8-46.1177.8-71.1171.4000111.5F9 R10 S11 I15 C16 I17F9-I13 HydrophobicContact CD1-CD1 3.75Å; F9-I13 HydrophobicContact CE1-CD1 3.3Å; F9-I13 HydrophobicContact CE1-CG1 4.38Å; F9-I13 HydrophobicContact CE2-CD1 4.49Å; F9-I13 HydrophobicContact CZ-CD1 3.73Å; F9-I13 HydrophobicContact CZ-CG1 4.5Å; F9-I13 WeakPolarHBondContact O-CG1 3.25Å; F9-I13 PolarHBondContact O-N 2.86Å; R10-I13 PolarHBondContact O-N 2.86Å; S11-I13 PolarHBondContact O-N 3.06Å; I13-I15 VanDerWaalsContact C-N 3.34Å; I13-I15 PolarHBondContact O-N 2.71Å; I13-C16 PolarHBondContact O-N 2.79Å; I13-I17 HydrophobicContact CG2-CD1 3.63Å; I13-I17 HydrophobicContact CG2-CG1 4.28Å; I13-I17 VanDerWaalsContact O-CG1 3.31Å; I13-I17 WeakPolarHBondContact O-CG1 3.45Å; I13-I17 PolarHBondContact O-N 3.13Å
14V85.4Confident79.2Confident100 Ų10093 Ų9361%0.60647%0.474SS*.Hα-helixtrans-63.9-40.6179.9172.70000111.1R10 S11 I12 I17 G18R10-V14 WeakPolarHBondContact O-CG2 3.1Å; R10-V14 PolarHBondContact O-N 2.99Å; S11-V14 PolarHBondContact O-N 3.06Å; I12-V14 PolarHBondContact O-N 2.97Å; V14-I17 PolarHBondContact O-N 2.95Å; V14-G18 PolarHBondContact O-N 3.46Å
15I82.6Confident78.5Confident121 Ų12193.4 Ų93.462%0.62148%0.476SS*.Hα-helixtrans-63.9-43.6175-68164.8000110.4S11 I12 I13 G18 Y19S11-I15 WeakPolarHBondContact O-CB 3.49Å; S11-I15 WeakPolarHBondContact O-CD1 3.45Å; S11-I15 VanDerWaalsContact O-CG1 3.22Å; S11-I15 WeakPolarHBondContact O-CG1 3.35Å; S11-I15 PolarHBondContact O-N 2.76Å; I12-I15 PolarHBondContact O-N 2.82Å; I13-I15 VanDerWaalsContact C-N 3.34Å; I13-I15 PolarHBondContact O-N 2.71Å; I15-G18 PolarHBondContact O-N 3.2Å; I15-Y19 WeakPolarHBondContact O-CB 3.25Å; I15-Y19 PolarHBondContact O-N 3.24Å
16C78.6Confident77.7Confident63 Ų6390.7 Ų90.743%0.42647%0.468SS..Hα-helixtrans-61-47.1175.5-69.60000111.7I12 I13 Y19 I20I12-C16 WeakPolarHBondContact O-CB 3.29Å; I12-C16 PolarHBondContact O-N 2.81Å; I12-C16 PolarHBondContact O-SG 3.35Å; I13-C16 PolarHBondContact O-N 2.79Å; C16-Y19 PolarHBondContact O-N 2.82Å; C16-I20 WeakPolarHBondContact O-CB 3.32Å; C16-I20 WeakPolarHBondContact O-CD1 3.38Å; C16-I20 WeakPolarHBondContact O-CG1 3.11Å; C16-I20 PolarHBondContact O-N 2.81Å
17I81.9Confident76.3Confident89 Ų8991.3 Ų91.346%0.45648%0.481SS..Hα-helixtrans-63.2-43.3177.2-68.4169.6000110.6I13 V14 Y19 I20 L21I13-I17 HydrophobicContact CG2-CD1 3.63Å; I13-I17 HydrophobicContact CG2-CG1 4.28Å; I13-I17 VanDerWaalsContact O-CG1 3.31Å; I13-I17 WeakPolarHBondContact O-CG1 3.45Å; I13-I17 PolarHBondContact O-N 3.13Å; V14-I17 PolarHBondContact O-N 2.95Å; I17-Y19 PolarHBondContact O-N 3.37Å; I17-I20 PolarHBondContact O-N 3.41Å; I17-L21 HydrophobicContact CG2-CD1 3.73Å; I17-L21 HydrophobicContact CG2-CG 4.43Å; I17-L21 WeakPolarHBondContact O-CB 3.34Å; I17-L21 WeakPolarHBondContact O-CG 3.34Å; I17-L21 PolarHBondContact O-N 2.95Å
18G81.6Confident74.9Confident37 Ų3791 Ų9138%0.38149%0.487SS..Hα-helixtrans-62.3-40.917700000112.5V14 I15 L21 H22V14-G18 PolarHBondContact O-N 3.46Å; I15-G18 PolarHBondContact O-N 3.2Å; G18-L21 PolarHBondContact O-N 2.9Å; G18-H22 VanDerWaalsContact O-CB 3.3Å; G18-H22 WeakPolarHBondContact O-CB 3.27Å; G18-H22 PolarHBondContact O-N 2.98Å
19Y75.6Confident73.9Confident110 Ų11089.8 Ų89.843%0.43148%0.481SS..Hα-helixtrans-67.4-43.5174.5-175.2-100.3000111.8I15 C16 I17 L21 H22 C23I15-Y19 WeakPolarHBondContact O-CB 3.25Å; I15-Y19 PolarHBondContact O-N 3.24Å; C16-Y19 PolarHBondContact O-N 2.82Å; I17-Y19 PolarHBondContact O-N 3.37Å; Y19-L21 PolarHBondContact O-N 3.38Å; Y19-H22 PolarHBondContact O-N 3.11Å; Y19-C23 WeakPolarHBondContact O-CB 3.32Å; Y19-C23 PolarHBondContact O-N 3.02Å; Y19-C23 PolarHBondContact O-SG 3.33Å
20I73.1Confident73.4Confident58 Ų5887.4 Ų87.430%0.29747%0.474SS..Hα-helixtrans-57.2-49.1173.1-70.4163.4000110.3C16 I17 C23 L24 L301C16-I20 WeakPolarHBondContact O-CB 3.32Å; C16-I20 WeakPolarHBondContact O-CD1 3.38Å; C16-I20 WeakPolarHBondContact O-CG1 3.11Å; C16-I20 PolarHBondContact O-N 2.81Å; I17-I20 PolarHBondContact O-N 3.41Å; I20-C23 PolarHBondContact O-N 3.45Å; I20-L24 HydrophobicContact CG2-CD1 3.84Å; I20-L24 WeakPolarHBondContact O-CB 3.46Å; I20-L24 VanDerWaalsContact O-CG 3.23Å; I20-L24 WeakPolarHBondContact O-CG 3.37Å; I20-L24 PolarHBondContact O-N 3.19Å; I20-L301 HydrophobicContact CB-CD2 4.36Å; I20-L301 HydrophobicContact CG1-CD1 3.73Å; I20-L301 HydrophobicContact CG1-CD2 3.92Å; I20-L301 HydrophobicContact CG1-CG 4.45Å; I20-L301 HydrophobicContact CG2-CD2 3.91Å
21L74.7Confident72.7Confident85 Ų8583.7 Ų83.745%0.44548%0.475SS..Hα-helixtrans-61.4-44.4176.7-80.5161.4000111.4I17 G18 Y19 C23 L24 L25I17-L21 HydrophobicContact CG2-CD1 3.73Å; I17-L21 HydrophobicContact CG2-CG 4.43Å; I17-L21 WeakPolarHBondContact O-CB 3.34Å; I17-L21 WeakPolarHBondContact O-CG 3.34Å; I17-L21 PolarHBondContact O-N 2.95Å; G18-L21 PolarHBondContact O-N 2.9Å; Y19-L21 PolarHBondContact O-N 3.38Å; L21-C23 PolarHBondContact O-N 3.19Å; L21-L24 CarbonylContact O-C 3.59Å; L21-L24 PolarHBondContact O-N 3.05Å; L21-L24 VanDerWaalsContact O-N 3.16Å; L21-L25 HydrophobicContact CB-CD1 4.27Å; L21-L25 WeakPolarHBondContact O-CB 3.25Å; L21-L25 WeakPolarHBondContact O-CD1 3.49Å; L21-L25 WeakPolarHBondContact O-CG 3.37Å; L21-L25 PolarHBondContact O-N 3.44Å
22H74.1Confident72.2Confident112 Ų11283.3 Ų83.352%0.51947%0.472SS..Hα-helixtrans-59.9-46.4176.9178.974.1000111.9G18 Y19 L24 L25 N26G18-H22 VanDerWaalsContact O-CB 3.3Å; G18-H22 WeakPolarHBondContact O-CB 3.27Å; G18-H22 PolarHBondContact O-N 2.98Å; Y19-H22 PolarHBondContact O-N 3.11Å; H22-L24 VanDerWaalsContact C-N 3.27Å; H22-L24 PolarHBondContact O-N 3.42Å; H22-L25 PolarHBondContact O-N 2.89Å; H22-N26 PolarHBondContact O-N 2.94Å
23C66.8Low72.3Confident25 Ų2581.4 Ų81.417%0.16946%0.459CS..Hα-helixtrans-61.2-35.3175-70.90000112.4Y19 I20 L21 R297Y19-C23 WeakPolarHBondContact O-CB 3.32Å; Y19-C23 PolarHBondContact O-N 3.02Å; Y19-C23 PolarHBondContact O-SG 3.33Å; I20-C23 PolarHBondContact O-N 3.45Å; L21-C23 PolarHBondContact O-N 3.19Å; C23-R297 WeakPolarHBondContact O-CD 3.41Å
24L66.9Low72.6Confident78 Ų7881.4 Ų81.441%0.40846%0.459SS..Hα-helixtrans-76.8-35.7177.3-69.8171000112.9I20 L21 H22 R297I20-L24 HydrophobicContact CG2-CD1 3.84Å; I20-L24 WeakPolarHBondContact O-CB 3.46Å; I20-L24 VanDerWaalsContact O-CG 3.23Å; I20-L24 WeakPolarHBondContact O-CG 3.37Å; I20-L24 PolarHBondContact O-N 3.19Å; L21-L24 CarbonylContact O-C 3.59Å; L21-L24 PolarHBondContact O-N 3.05Å; L21-L24 VanDerWaalsContact O-N 3.16Å; H22-L24 VanDerWaalsContact C-N 3.27Å; H22-L24 PolarHBondContact O-N 3.42Å; L24-R297 PolarHBondContact O-NH1 3.42Å
25L65.5Low72.9Confident125 Ų12577.3 Ų77.365%0.65443%0.433SS*.Hα-helixtrans-84.6-23.4-174-71.3168.8000113.9L21 H22 T27L21-L25 HydrophobicContact CB-CD1 4.27Å; L21-L25 WeakPolarHBondContact O-CB 3.25Å; L21-L25 WeakPolarHBondContact O-CD1 3.49Å; L21-L25 WeakPolarHBondContact O-CG 3.37Å; L21-L25 PolarHBondContact O-N 3.44Å; H22-L25 PolarHBondContact O-N 2.89Å; L25-T27 PolarHBondContact O-N 3.16Å
26N61.4Low73.3Confident86 Ų8677.5 Ų77.546%0.4643%0.431SS..  trans-69.6113.5177-155.9-6.8000110.1H22 R297H22-N26 PolarHBondContact O-N 2.94Å; N26-R297 PolarHBondContact O-NE 2.94Å; N26-R297 VanDerWaalsContact O-NE 3.14Å; N26-R297 PolarHBondContact O-NH2 2.85Å
27T52.8Low73.9Confident115 Ų11575.6 Ų75.671%0.70642%0.417SS*.  trans-83-13.5-162.951.20000115L25 T29 R297L25-T27 PolarHBondContact O-N 3.16Å; T27-T29 VanDerWaalsContact C-N 3.28Å; T27-T29 PolarHBondContact O-N 3.4Å; T27-R297 PolarHBondContact O-NH2 3.23Å; T27-R297 VanDerWaalsContact O-NH2 3.15Å
28S56.2Low74.4Confident100 Ų10076.7 Ų76.770%0.69942%0.418SS*.  trans-81.268.4-179.759.30000112.3N30S28-N30 PolarHBondContact O-N 2.85Å
29T61.5Low74.9Confident53 Ų5379.9 Ų79.933%0.32543%0.433SS..  trans-76.1112.5162360000108.8T27 S31 P296 R297T27-T29 VanDerWaalsContact C-N 3.28Å; T27-T29 PolarHBondContact O-N 3.4Å; T29-S31 PolarHBondContact O-N 2.89Å; T29-S31 VanDerWaalsContact O-N 3.12Å; T29-P296 HydrophobicContact CG2-CG 4.11Å; T29-R297 HydrophobicContact CG2-CG 3.5Å; T29-R297 PolarHBondContact OG1-NH2 2.92Å
30N70.1Confident75.6Confident84 Ų8477.2 Ų77.245%0.44943%0.43SS..  trans-57.7118.1169.2-170.6-22.8000108.4S28 S32 Y33S28-N30 PolarHBondContact O-N 2.85Å; N30-S32 PolarHBondContact ND2-OG 3.47Å; N30-S32 PolarHBondContact O-N 3.35Å; N30-S32 VanDerWaalsContact O-N 3.14Å; N30-S32 WeakPolarHBondContact OD1-CB 3.31Å; N30-S32 PolarHBondContact OD1-N 3.1Å; N30-S32 VanDerWaalsContact OD1-N 3.15Å; N30-S32 PolarHBondContact OD1-OG 3.32Å; N30-Y33 HydrophobicContact CB-CD1 4.23Å; N30-Y33 HydrophobicContact CB-CD2 4.35Å; N30-Y33 HydrophobicContact CB-CE1 4.29Å; N30-Y33 HydrophobicContact CB-CE2 4.41Å; N30-Y33 HydrophobicContact CB-CG 4.27Å; N30-Y33 WeakPolarHBondContact O-CB 3.14Å; N30-Y33 PolarHBondContact O-N 3.29Å
31S69Low76.4Confident95 Ų9577.4 Ų77.466%0.66443%0.431SS*.G310 helixtrans-57.8-28.2-177.854.40000112.1T29 Y33 I34T29-S31 PolarHBondContact O-N 2.89Å; T29-S31 VanDerWaalsContact O-N 3.12Å; S31-Y33 PolarHBondContact O-N 2.79Å; S31-I34 PolarHBondContact O-N 2.92Å; S31-I34 VanDerWaalsContact O-N 3.07Å
32S73.5Confident77Confident50 Ų5082 Ų8235%0.3545%0.45SS..G310 helixtrans-61.5-11.5173.367.40000114N30 R216N30-S32 PolarHBondContact ND2-OG 3.47Å; N30-S32 PolarHBondContact O-N 3.35Å; N30-S32 VanDerWaalsContact O-N 3.14Å; N30-S32 WeakPolarHBondContact OD1-CB 3.31Å; N30-S32 PolarHBondContact OD1-N 3.1Å; N30-S32 VanDerWaalsContact OD1-N 3.15Å; N30-S32 PolarHBondContact OD1-OG 3.32Å; S32-R216 PolarHBondContact O-NH2 2.8Å
33Y84.8Confident77.7Confident54 Ų5478.7 Ų78.721%0.21244%0.436CS..G310 helixtrans-88.5-18.9177.1-66.61.8000112.3N30 S31 L193 R299N30-Y33 HydrophobicContact CB-CD1 4.23Å; N30-Y33 HydrophobicContact CB-CD2 4.35Å; N30-Y33 HydrophobicContact CB-CE1 4.29Å; N30-Y33 HydrophobicContact CB-CE2 4.41Å; N30-Y33 HydrophobicContact CB-CG 4.27Å; N30-Y33 WeakPolarHBondContact O-CB 3.14Å; N30-Y33 PolarHBondContact O-N 3.29Å; S31-Y33 PolarHBondContact O-N 2.79Å; Y33-L193 HydrophobicContact CD1-CD2 3.58Å; Y33-L193 HydrophobicContact CD2-CD2 3.64Å; Y33-L193 HydrophobicContact CE1-CD2 3.64Å; Y33-L193 HydrophobicContact CE2-CD2 3.69Å; Y33-L193 HydrophobicContact CG-CD2 3.58Å; Y33-R299 PolarHBondContact O-NH2 2.88Å
34I88.8Confident78.9Confident70 Ų7081 Ų8136%0.35945%0.446SS..  trans-73.8136.9172-60.6175.2000108.3S31 R216 P296S31-I34 PolarHBondContact O-N 2.92Å; S31-I34 VanDerWaalsContact O-N 3.07Å; I34-R216 PolarHBondContact O-NH2 2.78Å; I34-P296 HydrophobicContact CG1-CG 3.88Å
35Y91.2Very high80.1Confident14 Ų1482.9 Ų82.96%0.05546%0.457CS..  trans-148.1161.6167.667.6-80.5000110.6V37 G192 R216 M236 K237 P293Y35-V37 HydrophobicContact CD2-CG1 4.34Å; Y35-V37 HydrophobicContact CE2-CG1 4.14Å; Y35-G192 WeakPolarHBondContact CE1-O 3.29Å; Y35-R216 VanDerWaalsContact CB-NE 3.31Å; Y35-M236 VanDerWaalsContact CE2-O 3.28Å; Y35-M236 WeakPolarHBondContact CE2-O 3.49Å; Y35-K237 HydrophobicContact CD2-CD 3.89Å; Y35-P293 HydrophobicContact CD1-CB 4.13Å; Y35-P293 HydrophobicContact CD2-CB 3.79Å; Y35-P293 HydrophobicContact CD2-CG 4.4Å; Y35-P293 HydrophobicContact CE1-CB 3.91Å; Y35-P293 HydrophobicContact CE2-CB 3.53Å; Y35-P293 HydrophobicContact CE2-CG 3.72Å; Y35-P293 HydrophobicContact CG-CB 4.08Å; Y35-P293 CarbonylContact O-C 3.54Å; Y35-P293 WeakPolarHBondContact O-CB 3.45Å
36H90.5Very high81.5Confident125 Ų12584.9 Ų84.958%0.57946%0.463SS*.  trans-123.2149.9175.5-59.3-80.5000109.1K237H36-K237 PolarHBondContact O-NZ 2.81Å
37V92.5Very high83.1Confident22 Ų2283 Ų8313%0.13345%0.453CS..  trans-108.1146.5169-61.60000108Y35 M236 L238 L289Y35-V37 HydrophobicContact CD2-CG1 4.34Å; Y35-V37 HydrophobicContact CE2-CG1 4.14Å; V37-M236 WeakPolarHBondContact CG1-O 3.37Å; V37-L238 HydrophobicContact CB-CD1 3.82Å; V37-L238 HydrophobicContact CB-CG 4.43Å; V37-L238 HydrophobicContact CG1-CD1 3.73Å; V37-L238 HydrophobicContact CG1-CG 4.03Å; V37-L238 HydrophobicContact CG2-CD1 3.92Å; V37-L289 WeakPolarHBondContact CG2-O 3.37Å
38K92.9Very high85.1Confident112 Ų11280 Ų8049%0.48743%0.431SS..PPolyproline II helixtrans-62.5147.9173.6-170.8173.8177.1-1780109.3D255 R280K38-D255 HydrophobicContact CD-CB 3.88Å; K38-D255 VanDerWaalsContact CD-CG 3.47Å; K38-D255 WeakPolarHBondContact CD-OD2 3.43Å; K38-R280 PolarHBondContact O-NH1 2.82Å; K38-R280 PolarHBondContact O-NH2 3.41Å
39P90.5Very high87Confident105 Ų10575.3 Ų75.368%0.68240%0.399SS*.PPolyproline II helixtrans-49.1148.1168.2-28.136.1000111.3I41 G256P39-I41 PolarHBondContact O-N 2.82Å; P39-G256 WeakPolarHBondContact O-CA 3.34Å
40S90.9Very high88.5Confident53 Ų5374.4 Ų74.437%0.37139%0.392SS..PPolyproline II helixtrans-56.9136.1177.5-168.80000110.1G256S40-G256 CarbonylContact C-O 3.59Å; S40-G256 WeakPolarHBondContact CA-O 3.22Å
41I90.8Very high89.7Confident62 Ų6279.9 Ų79.932%0.31841%0.412SS..PPolyproline II helixtrans-57.7138.5166-62.9160.9000108.4P39 L43 D255 G256 I331P39-I41 PolarHBondContact O-N 2.82Å; I41-L43 PolarHBondContact O-N 3.36Å; I41-D255 WeakPolarHBondContact CD1-O 3.3Å; I41-D255 VanDerWaalsContact CG1-O 3.26Å; I41-D255 WeakPolarHBondContact CG1-O 3.42Å; I41-G256 WeakPolarHBondContact CG1-O 3.39Å; I41-G256 PolarHBondContact N-O 2.93Å; I41-I331 HydrophobicContact CD1-CD1 4.2Å
42E87.5Confident90.9Very high183 Ų18379.5 Ų79.586%0.85540%0.398SS*.PPolyproline II helixtrans-72.2120.5169.6-172.5174.6-174.700109.4N44E42-N44 PolarHBondContact O-N 2.78Å
43L88.5Confident91.8Very high41 Ų4177.7 Ų77.722%0.21538%0.384CS..PPolyproline II helixtrans-82.2120.2-176.9-58178.3000109.8I41 D45 P258 M321 I331 I334I41-L43 PolarHBondContact O-N 3.36Å; L43-D45 PolarHBondContact O-N 3.34Å; L43-P258 HydrophobicContact CD1-CB 4.32Å; L43-P258 HydrophobicContact CD1-CG 4.48Å; L43-P258 HydrophobicContact CD2-CG 4.29Å; L43-M321 HydrophobicContact CD1-CE 3.64Å; L43-M321 HydrophobicContact CD1-SD 4.16Å; L43-I331 HydrophobicContact CD2-CD1 4.21Å; L43-I334 HydrophobicContact CB-CD1 4.21Å; L43-I334 HydrophobicContact CD2-CD1 3.99Å
44N91.3Very high92.1Very high74 Ų7476.3 Ų76.340%0.39639%0.386SS..PPolyproline II helixtrans-75.9117.9172.3-179.2-5.2000110.2E42 Q46 L47E42-N44 PolarHBondContact O-N 2.78Å; N44-Q46 PolarHBondContact ND2-OE1 2.87Å; N44-Q46 PolarHBondContact O-N 2.86Å; N44-Q46 VanDerWaalsContact O-N 3.11Å; N44-Q46 VanDerWaalsContact OD1-CB 3.27Å; N44-Q46 WeakPolarHBondContact OD1-CB 3.21Å; N44-Q46 WeakPolarHBondContact OD1-CG 3.3Å; N44-Q46 PolarHBondContact OD1-N 2.9Å; N44-L47 HydrophobicContact CB-CD1 4.13Å; N44-L47 HydrophobicContact CB-CG 4.1Å; N44-L47 WeakPolarHBondContact O-CB 3.26Å; N44-L47 PolarHBondContact O-N 3.44Å
45D91.3Very high92.3Very high117 Ų11781.6 Ų81.663%0.62641%0.406SS*.G310 helixtrans-59.5-22.4178.9-74.9-22.4000113.6L43 L47 I48L43-D45 PolarHBondContact O-N 3.34Å; D45-L47 PolarHBondContact O-N 3.45Å; D45-I48 HydrophobicContact CB-CD1 4.23Å; D45-I48 WeakPolarHBondContact O-CB 3.49Å; D45-I48 PolarHBondContact O-N 3.11Å; D45-I48 VanDerWaalsContact O-N 3.08Å; D45-I48 VanDerWaalsContact OD1-CD1 3.29Å; D45-I48 WeakPolarHBondContact OD1-CD1 3.39Å
46Q94.9Very high92.5Very high168 Ų16881.8 Ų81.879%0.78541%0.408SS*.G310 helixtrans-65.3-21.5174.4-62.7177-17.600113N44 I48N44-Q46 PolarHBondContact ND2-OE1 2.87Å; N44-Q46 PolarHBondContact O-N 2.86Å; N44-Q46 VanDerWaalsContact O-N 3.11Å; N44-Q46 VanDerWaalsContact OD1-CB 3.27Å; N44-Q46 WeakPolarHBondContact OD1-CB 3.21Å; N44-Q46 WeakPolarHBondContact OD1-CG 3.3Å; N44-Q46 PolarHBondContact OD1-N 2.9Å; Q46-I48 VanDerWaalsContact C-N 3.3Å
47L95.8Very high92.8Very high46 Ų4681.1 Ų81.124%0.24141%0.406CS..G310 helixtrans-83.3-8.4176.4-54.5178.2000112.2N44 D45 I49 I331 I334N44-L47 HydrophobicContact CB-CD1 4.13Å; N44-L47 HydrophobicContact CB-CG 4.1Å; N44-L47 WeakPolarHBondContact O-CB 3.26Å; N44-L47 PolarHBondContact O-N 3.44Å; D45-L47 PolarHBondContact O-N 3.45Å; L47-I49 PolarHBondContact O-N 2.77Å; L47-I331 HydrophobicContact CD1-CG2 4.18Å; L47-I331 VanDerWaalsContact CD1-O 3.27Å; L47-I331 WeakPolarHBondContact CD1-O 3.03Å; L47-I334 HydrophobicContact CB-CD1 4.01Å; L47-I334 HydrophobicContact CB-CG1 4.09Å; L47-I334 HydrophobicContact CD1-CD1 4.47Å; L47-I334 PolarHBondContact O-N 2.78Å
48I95.6Very high93Very high51 Ų5184.9 Ų84.926%0.26242%0.42SS..BIsolated β-bridgetrans-72.2115.7-179.4-63.1175.2000110D45 Q46 N50 I334 K336D45-I48 HydrophobicContact CB-CD1 4.23Å; D45-I48 WeakPolarHBondContact O-CB 3.49Å; D45-I48 PolarHBondContact O-N 3.11Å; D45-I48 VanDerWaalsContact O-N 3.08Å; D45-I48 VanDerWaalsContact OD1-CD1 3.29Å; D45-I48 WeakPolarHBondContact OD1-CD1 3.39Å; Q46-I48 VanDerWaalsContact C-N 3.3Å; I48-N50 HydrophobicContact CG2-CB 4.17Å; I48-N50 WeakPolarHBondContact CG2-OD1 3.33Å; I48-I334 CarbonylContact C-O 3.48Å; I48-I334 VanDerWaalsContact CA-O 3.29Å; I48-I334 WeakPolarHBondContact CA-O 3.29Å; I48-I334 HydrophobicContact CG1-CB 4.49Å; I48-K336 HydrophobicContact CD1-CD 4.1Å
49I94.8Very high93.3Very high3 Ų381.8 Ų81.82%0.01541%0.408CS..  trans-102.25.9-174.651.6160.5000113.6L47 K51 K52 Y53 W273 E333 I334 W335L47-I49 PolarHBondContact O-N 2.77Å; I49-K51 PolarHBondContact O-N 2.97Å; I49-K52 HydrophobicContact CB-CD 4.09Å; I49-K52 HydrophobicContact CB-CG 4.4Å; I49-K52 HydrophobicContact CG2-CD 3.82Å; I49-K52 WeakPolarHBondContact O-CA 3.28Å; I49-K52 WeakPolarHBondContact O-CB 3.33Å; I49-K52 PolarHBondContact O-N 3.47Å; I49-Y53 HydrophobicContact CB-CD2 4.5Å; I49-Y53 HydrophobicContact CB-CE2 4.29Å; I49-Y53 HydrophobicContact CD1-CD2 4.21Å; I49-Y53 HydrophobicContact CD1-CE2 3.49Å; I49-Y53 VanDerWaalsContact CD1-CE2 3.49Å; I49-Y53 HydrophobicContact CG1-CD2 4.49Å; I49-Y53 HydrophobicContact CG1-CE2 4.18Å; I49-Y53 WeakPolarHBondContact O-CD2 3.46Å; I49-W273 HydrophobicContact CD1-CH2 3.85Å; I49-E333 HydrophobicContact CD1-CB 3.82Å; I49-E333 HydrophobicContact CD1-CG 4.44Å; I49-E333 HydrophobicContact CG1-CB 4.28Å; I49-E333 HydrophobicContact CG2-CB 4.15Å; I49-E333 HydrophobicContact CG2-CG 4.04Å; I49-I334 VanDerWaalsContact CG1-C 3.46Å; I49-I334 WeakPolarHBondContact CG1-O 3.37Å; I49-I334 PolarHBondContact N-O 3.38Å; I49-W335 HydrophobicContact CD1-CB 4.2Å; I49-W335 HydrophobicContact CG1-CB 4.18Å
50N94.6Very high93.6Very high34 Ų3481.6 Ų81.618%0.18240%0.402CS..G310 helixtrans-46.4-39.7179.7-77.370.9000113.8I48 K52 Y53 K336I48-N50 HydrophobicContact CG2-CB 4.17Å; I48-N50 WeakPolarHBondContact CG2-OD1 3.33Å; N50-K52 VanDerWaalsContact C-N 3.28Å; N50-K52 PolarHBondContact O-N 3.08Å; N50-Y53 PolarHBondContact O-N 3.25Å; N50-Y53 VanDerWaalsContact O-O 3.06Å; N50-K336 PolarHBondContact ND2-O 3.49Å; N50-K336 PolarHBondContact OD1-N 2.96Å
51K93.8Very high93.9Very high199 Ų19979.1 Ų79.187%0.86538%0.384SS*.G310 helixtrans-69.7-19.5179.2-65.6-178.6179.9176.80114.4I49I49-K51 PolarHBondContact O-N 2.97Å
52K93.8Very high94.1Very high87 Ų8781.5 Ų81.538%0.37840%0.396SS..G310 helixtrans-80-6.9175.2-58.1-175.9-176.7171.90112I49 N50 R370 L371I49-K52 HydrophobicContact CB-CD 4.09Å; I49-K52 HydrophobicContact CB-CG 4.4Å; I49-K52 HydrophobicContact CG2-CD 3.82Å; I49-K52 WeakPolarHBondContact O-CA 3.28Å; I49-K52 WeakPolarHBondContact O-CB 3.33Å; I49-K52 PolarHBondContact O-N 3.47Å; N50-K52 VanDerWaalsContact C-N 3.28Å; N50-K52 PolarHBondContact O-N 3.08Å; K52-R370 CarbonylContact O-C 3.59Å; K52-R370 WeakPolarHBondContact O-CA 3.47Å; K52-R370 WeakPolarHBondContact O-CG 3.45Å; K52-L371 PolarHBondContact O-N 3.15Å
53Y94.4Very high94.4Very high12 Ų1279 Ų795%0.04739%0.389CS..EExtended strand (participates in β ladder)trans-121.9148.9-176.8-70-88.3000110.7I49 N50 L355 L368 K369 R370I49-Y53 HydrophobicContact CB-CD2 4.5Å; I49-Y53 HydrophobicContact CB-CE2 4.29Å; I49-Y53 HydrophobicContact CD1-CD2 4.21Å; I49-Y53 HydrophobicContact CD1-CE2 3.49Å; I49-Y53 VanDerWaalsContact CD1-CE2 3.49Å; I49-Y53 HydrophobicContact CG1-CD2 4.49Å; I49-Y53 HydrophobicContact CG1-CE2 4.18Å; I49-Y53 WeakPolarHBondContact O-CD2 3.46Å; N50-Y53 PolarHBondContact O-N 3.25Å; N50-Y53 VanDerWaalsContact O-O 3.06Å; Y53-L355 HydrophobicContact CE1-CD1 3.92Å; Y53-L355 HydrophobicContact CE1-CG 3.82Å; Y53-L355 HydrophobicContact CE2-CD1 4.36Å; Y53-L368 HydrophobicContact CD1-CB 3.84Å; Y53-L368 WeakPolarHBondContact CD1-O 3.49Å; Y53-L368 HydrophobicContact CE1-CB 4.49Å; Y53-L368 WeakPolarHBondContact CE1-O 3.5Å; Y53-L368 HydrophobicContact CG-CB 4.35Å; Y53-K369 CarbonylContact C-O 3.57Å; Y53-K369 VanDerWaalsContact CA-O 3.29Å; Y53-K369 WeakPolarHBondContact CA-O 3.36Å; Y53-R370 HydrophobicContact CD1-CB 4.16Å; Y53-R370 HydrophobicContact CE1-CB 3.87Å; Y53-R370 HydrophobicContact CE1-CG 4.31Å
54G90.3Very high94.8Very high25 Ų2579.1 Ų79.126%0.25839%0.387SS..EExtended strand (participates in β ladder)trans-68.2-174.6168.300000111.9K369G54-K369 PolarHBondContact N-O 3.47Å
55K93.2Very high95.1Very high180 Ų18078.1 Ų78.178%0.78338%0.381SS*.EExtended strand (participates in β ladder)trans-61.3156.1172.3-65.6-174.8179.1-177.70110.6E57K55-E57 PolarHBondContact O-N 3.28Å
56L95.3Very high95.3Very high19 Ų1972.5 Ų72.510%0.09935%0.351CS..EExtended strand (participates in β ladder)trans-67111.7170.9-173.972.8000109.2E341 L342 L368L56-E341 HydrophobicContact CD2-CB 3.61Å; L56-L342 HydrophobicContact CD2-CB 4.21Å; L56-L368 HydrophobicContact CB-CD2 4.02Å; L56-L368 HydrophobicContact CD1-CD1 4.31Å; L56-L368 HydrophobicContact CD1-CD2 3.67Å; L56-L368 HydrophobicContact CD1-CG 3.7Å; L56-L368 HydrophobicContact CG-CD2 4.49Å
57E96.8Very high95.5Very high111 Ų11164.5 Ų64.552%0.51931%0.314SS..EExtended strand (participates in β ladder)trans-85139.3170.2-69.3171.2-176.200109K55 G366 R367K55-E57 PolarHBondContact O-N 3.28Å; E57-G366 CarbonylContact O-C 3.54Å; E57-R367 HydrophobicContact CB-CB 4.2Å; E57-R367 PolarHBondContact N-O 3.29Å; E57-R367 PolarHBondContact O-N 2.91Å
58K97.3Very high95.6Very high100 Ų10062.5 Ų62.544%0.43530%0.303SS..EExtended strand (participates in β ladder)trans-107.6113.8-178.1-63.9175.7-174.8160.70109.2D60 E341 Y364K58-D60 PolarHBondContact O-N 3.01Å; K58-E341 WeakPolarHBondContact CE-OE1 3.35Å; K58-E341 IonicContact NZ-OE1 3.93Å; K58-E341 PolarHBondContact NZ-OE1 2.84Å; K58-Y364 HydrophobicContact CB-CD1 4.46Å; K58-Y364 HydrophobicContact CB-CD2 3.97Å; K58-Y364 HydrophobicContact CB-CG 3.91Å; K58-Y364 HydrophobicContact CD-CD1 4.17Å; K58-Y364 HydrophobicContact CD-CD2 4.18Å; K58-Y364 HydrophobicContact CD-CE1 3.98Å; K58-Y364 HydrophobicContact CD-CE2 3.96Å; K58-Y364 HydrophobicContact CD-CG 4.27Å; K58-Y364 HydrophobicContact CG-CD1 4.44Å; K58-Y364 HydrophobicContact CG-CD2 3.71Å; K58-Y364 HydrophobicContact CG-CE2 3.82Å; K58-Y364 HydrophobicContact CG-CG 4.04Å
59I97.7Very high95.7Very high47 Ų4760.1 Ų60.124%0.24129%0.291CS..EExtended strand (participates in β ladder)trans-86.497.4171.8-55.7173.7000107L61 L77 I89 Y356 Y364 I365 R367I59-L61 PolarHBondContact O-N 3.2Å; I59-L77 HydrophobicContact CD1-CD2 4.43Å; I59-I89 HydrophobicContact CG2-CG2 4.13Å; I59-Y356 HydrophobicContact CD1-CD1 4.29Å; I59-Y356 HydrophobicContact CD1-CE1 4.05Å; I59-Y364 CarbonylContact O-C 3.57Å; I59-Y364 WeakPolarHBondContact O-CA 3.27Å; I59-Y364 VanDerWaalsContact O-CB 3.25Å; I59-Y364 WeakPolarHBondContact O-CB 3.34Å; I59-I365 HydrophobicContact CB-CB 4.27Å; I59-I365 PolarHBondContact N-O 3.35Å; I59-I365 PolarHBondContact O-N 2.95Å; I59-R367 HydrophobicContact CD1-CB 4.28Å
60D97.4Very high95.9Very high102 Ų10260 Ų6055%0.54529%0.29SS..EExtended strand (participates in β ladder)trans-62.7125.9-179.6-166.5-32.4000110.9K58 I62 I94K58-D60 PolarHBondContact O-N 3.01Å; D60-I62 VanDerWaalsContact C-N 3.26Å; D60-I62 PolarHBondContact O-N 3.36Å; D60-I62 WeakPolarHBondContact OD1-CA 3.49Å; D60-I62 PolarHBondContact OD1-N 2.88Å; D60-I94 WeakPolarHBondContact O-CD1 3.01Å
61L98.1Very high96Very high0 Ų058.8 Ų58.80%028%0.284CS..  trans-89.312.4-179.9-59177.6000113I59 N63 Y64 P67 T79 V81 L87 I89 I94 P363 I365I59-L61 PolarHBondContact O-N 3.2Å; L61-N63 PolarHBondContact O-N 2.91Å; L61-Y64 WeakPolarHBondContact CB-O 3.24Å; L61-Y64 WeakPolarHBondContact O-CD2 3.27Å; L61-Y64 PolarHBondContact O-N 2.86Å; L61-P67 HydrophobicContact CD1-CB 3.88Å; L61-P67 HydrophobicContact CD1-CG 3.79Å; L61-T79 HydrophobicContact CD2-CG2 4.47Å; L61-V81 HydrophobicContact CD1-CG1 4.3Å; L61-L87 HydrophobicContact CD2-CD1 4.19Å; L61-I89 HydrophobicContact CD2-CD1 3.63Å; L61-I94 HydrophobicContact CD2-CD1 4.3Å; L61-P363 WeakPolarHBondContact CB-O 3.39Å; L61-P363 PolarHBondContact N-O 3.42Å; L61-I365 HydrophobicContact CD1-CG1 4.43Å; L61-I365 HydrophobicContact CD2-CD1 4.01Å; L61-I365 HydrophobicContact CD2-CG1 4.19Å
62I93.9Very high96.2Very high112 Ų11252.8 Ų52.857%0.57426%0.256SS*.THydrogen-bonded Turntrans64.9-89.1174.2-50.4170000111.2D60 I94D60-I62 VanDerWaalsContact C-N 3.26Å; D60-I62 PolarHBondContact O-N 3.36Å; D60-I62 WeakPolarHBondContact OD1-CA 3.49Å; D60-I62 PolarHBondContact OD1-N 2.88Å; I62-I94 HydrophobicContact CD1-CB 4.34Å; I62-I94 HydrophobicContact CD1-CD1 4.43Å; I62-I94 HydrophobicContact CG1-CD1 4.47Å
63N94.3Very high96.4Very high130 Ų13049.9 Ų49.970%0.69524%0.244SC*.THydrogen-bonded Turntrans-110.51.1-178.3-68.1-42.1000112.6L61L61-N63 PolarHBondContact O-N 2.91Å
64Y96.9Very high96.4Very high44 Ų4455 Ų5517%0.17327%0.272CS..  trans-104.3155.6-177.9-57.5-76.3000111.2L61 V81 Q83 K85 L87 I96L61-Y64 WeakPolarHBondContact CB-O 3.24Å; L61-Y64 WeakPolarHBondContact O-CD2 3.27Å; L61-Y64 PolarHBondContact O-N 2.86Å; Y64-V81 HydrophobicContact CD1-CG2 4.1Å; Y64-V81 HydrophobicContact CG-CG2 4.48Å; Y64-Q83 HydrophobicContact CD1-CB 4.39Å; Y64-Q83 HydrophobicContact CD1-CG 4.33Å; Y64-K85 HydrophobicContact CD1-CD 4.39Å; Y64-K85 HydrophobicContact CE1-CD 3.63Å; Y64-L87 HydrophobicContact CD1-CD2 4.26Å; Y64-L87 HydrophobicContact CD2-CD1 3.7Å; Y64-L87 HydrophobicContact CD2-CD2 3.81Å; Y64-L87 HydrophobicContact CD2-CG 4.42Å; Y64-L87 HydrophobicContact CE1-CD2 4.3Å; Y64-L87 HydrophobicContact CE2-CD2 3.86Å; Y64-L87 HydrophobicContact CG-CD1 3.75Å; Y64-L87 HydrophobicContact CG-CD2 4.03Å; Y64-L87 HydrophobicContact CG-CG 4.44Å; Y64-I96 WeakPolarHBondContact OH-CD1 3.39Å; Y64-I96 WeakPolarHBondContact OH-CG1 3.39Å
65N96.6Very high96.7Very high53 Ų5355.9 Ų55.928%0.28328%0.282SS..  trans-144.2156-173.8-67.6-86.6000110.6V81 I82 P363N65-V81 WeakPolarHBondContact O-CB 3.28Å; N65-I82 HydrophobicContact CB-CD1 4.18Å; N65-I82 WeakPolarHBondContact O-CG1 3.25Å; N65-I82 PolarHBondContact O-N 3.27Å; N65-P363 WeakPolarHBondContact OD1-CA 3.44Å; N65-P363 VanDerWaalsContact OD1-CB 3.28Å; N65-P363 WeakPolarHBondContact OD1-CB 3.34Å
66G96.2Very high97Very high0 Ų047.4 Ų47.40%025%0.245CC..  trans68.155.7174.300000113.8E68 R113 S359 F360 L362G66-E68 PolarHBondContact O-N 2.8Å; G66-E68 VanDerWaalsContact O-N 3.1Å; G66-R113 PolarHBondContact O-NH2 2.76Å; G66-S359 CarbonylContact C-O 3.58Å; G66-S359 VanDerWaalsContact C-O 3.27Å; G66-S359 WeakPolarHBondContact CA-O 3.22Å; G66-F360 VanDerWaalsContact CA-C 3.46Å; G66-F360 WeakPolarHBondContact CA-O 3.48Å; G66-L362 PolarHBondContact N-O 3.4Å
67P98Very high97.1Very high0 Ų046.8 Ų46.80%024%0.242CC..  trans-59114172.126.4-31.1000108.5L61 T79 T80 C346 G358 S359 L362 Y364 I365L61-P67 HydrophobicContact CD1-CB 3.88Å; L61-P67 HydrophobicContact CD1-CG 3.79Å; P67-T79 WeakPolarHBondContact CA-OG1 3.33Å; P67-T79 HydrophobicContact CB-CG2 4.31Å; P67-T79 WeakPolarHBondContact CB-OG1 3.29Å; P67-T80 VanDerWaalsContact CA-O 3.24Å; P67-T80 WeakPolarHBondContact CA-O 3.34Å; P67-C346 PolarHBondContact O-SG 3.25Å; P67-G358 CarbonylContact O-C 3.53Å; P67-G358 WeakPolarHBondContact O-CA 3.31Å; P67-S359 WeakPolarHBondContact CD-O 3.47Å; P67-S359 PolarHBondContact O-N 2.93Å; P67-S359 VanDerWaalsContact O-O 3.12Å; P67-L362 WeakPolarHBondContact CD-O 3.39Å; P67-Y364 VanDerWaalsContact CG-O 3.3Å; P67-Y364 WeakPolarHBondContact CG-O 3.14Å; P67-I365 HydrophobicContact CB-CD1 4.36Å; P67-I365 HydrophobicContact CB-CG1 3.6Å; P67-I365 HydrophobicContact CG-CG1 3.83Å
68E98.1Very high97.2Very high3 Ų341.8 Ų41.81%0.01422%0.218CC..  trans-104.8-52-167.1-174.1-67.4142.500111.8G66 T80 R113 L115 N263 C346 E347G66-E68 PolarHBondContact O-N 2.8Å; G66-E68 VanDerWaalsContact O-N 3.1Å; E68-T80 PolarHBondContact N-O 2.63Å; E68-T80 PolarHBondContact OE2-OG1 3.24Å; E68-R113 VanDerWaalsContact CB-NH2 3.35Å; E68-L115 VanDerWaalsContact CD-C 3.47Å; E68-L115 VanDerWaalsContact CD-CA 3.44Å; E68-L115 HydrophobicContact CG-CD2 3.77Å; E68-L115 WeakPolarHBondContact OE2-CA 3.49Å; E68-N263 PolarHBondContact OE1-ND2 3.49Å; E68-C346 PolarHBondContact O-SG 3.25Å; E68-E347 WeakPolarHBondContact O-CB 3.42Å
69S98.5Very high97.3Very high1 Ų137 Ų371%0.00720%0.197CC..  trans-128.2141.1179-170.90000110.2T79 T80 L117 E347S69-T79 VanDerWaalsContact O-CA 3.29Å; S69-T79 WeakPolarHBondContact O-CA 3.09Å; S69-T80 PolarHBondContact N-OG1 3.41Å; S69-T80 PolarHBondContact O-N 2.76Å; S69-T80 VanDerWaalsContact O-N 3.13Å; S69-L117 PolarHBondContact OG-N 2.76Å; S69-E347 VanDerWaalsContact CA-OE2 3.25Å; S69-E347 WeakPolarHBondContact CA-OE2 3.33Å; S69-E347 WeakPolarHBondContact CB-OE2 3.13Å; S69-E347 PolarHBondContact OG-OE2 2.94Å
70L98.5Very high97.3Very high0 Ų034.8 Ų34.80%019%0.186CC..EExtended strand (participates in β ladder)trans-124.7138.4-166.4-67.1161.8000110.8L77 Y78 K265 E347 L349 I365L70-L77 HydrophobicContact CD2-CD1 4.19Å; L70-L77 HydrophobicContact CD2-CD2 4.32Å; L70-L77 HydrophobicContact CD2-CG 4.3Å; L70-Y78 WeakPolarHBondContact CA-O 3.42Å; L70-K265 VanDerWaalsContact O-CE 3.25Å; L70-K265 WeakPolarHBondContact O-CE 3.36Å; L70-K265 PolarHBondContact O-NZ 3.16Å; L70-K265 VanDerWaalsContact O-NZ 3.13Å; L70-E347 HydrophobicContact CB-CG 3.94Å; L70-E347 HydrophobicContact CD1-CB 4.38Å; L70-E347 HydrophobicContact CD1-CG 3.86Å; L70-E347 HydrophobicContact CG-CG 4Å; L70-L349 HydrophobicContact CB-CB 3.87Å; L70-L349 HydrophobicContact CB-CD2 4Å; L70-I365 HydrophobicContact CD1-CG2 4.34Å; L70-I365 HydrophobicContact CD2-CD1 3.68Å; L70-I365 HydrophobicContact CD2-CG1 4.12Å; L70-I365 HydrophobicContact CD2-CG2 4.3Å
71I97.9Very high97.3Very high10 Ų1029.9 Ų29.95%0.05116%0.16CC..EExtended strand (participates in β ladder)trans-139.4149166.761.5176.9000109.9Y78 L117 L119 F126I71-Y78 HydrophobicContact CG1-CD2 4.27Å; I71-Y78 HydrophobicContact CG1-CG 4.39Å; I71-Y78 PolarHBondContact N-O 2.92Å; I71-Y78 VanDerWaalsContact N-O 3.1Å; I71-Y78 PolarHBondContact O-N 3.43Å; I71-L117 HydrophobicContact CD1-CD1 4.33Å; I71-L117 HydrophobicContact CD1-CD2 3.9Å; I71-L117 HydrophobicContact CD1-CG 3.84Å; I71-L117 HydrophobicContact CG1-CD2 3.71Å; I71-L117 HydrophobicContact CG1-CG 4.06Å; I71-L117 HydrophobicContact CG2-CD2 4.45Å; I71-L117 HydrophobicContact CG2-CG 4.16Å; I71-L117 VanDerWaalsContact CG2-O 3.28Å; I71-L117 WeakPolarHBondContact CG2-O 3.4Å; I71-L119 HydrophobicContact CD1-CD2 4.26Å; I71-L119 HydrophobicContact CD1-CG 4.29Å; I71-F126 HydrophobicContact CD1-CD1 3.19Å; I71-F126 HydrophobicContact CD1-CE1 3.15Å; I71-F126 HydrophobicContact CD1-CG 4.06Å; I71-F126 HydrophobicContact CD1-CZ 3.97Å; I71-F126 HydrophobicContact CG1-CE1 4.39Å
72Y97.8Very high97.2Very high72 Ų7233.2 Ų33.228%0.28218%0.177SC..EExtended strand (participates in β ladder)trans-109.7128.4169.4-168.5-80.7000109.1G75 S76 L77 H351 Y356Y72-G75 WeakPolarHBondContact OH-CA 3.38Å; Y72-S76 WeakPolarHBondContact CA-O 3.29Å; Y72-L77 HydrophobicContact CD2-CB 4.4Å; Y72-H351 AromaticContact CD1-CD2 3.5Å; Y72-H351 AromaticContact CD1-CE1 3.37Å; Y72-H351 WeakPolarHBondContact CD1-CE1 3.34Å; Y72-H351 AromaticContact CD1-CG 3.92Å; Y72-H351 AromaticContact CD1-ND1 3.84Å; Y72-H351 AromaticContact CD1-NE2 3.1Å; Y72-H351 WeakPolarHBondContact CD1-NE2 3.4Å; Y72-H351 AromaticContact CD2-CD2 3.67Å; Y72-H351 AromaticContact CE1-CD2 3.7Å; Y72-H351 AromaticContact CE1-CE1 3.74Å; Y72-H351 AromaticContact CE1-NE2 3.08Å; Y72-H351 WeakPolarHBondContact CE1-NE2 3.14Å; Y72-H351 AromaticContact CE2-CD2 3.85Å; Y72-H351 HydrophobicContact CG-CB 4.45Å; Y72-H351 AromaticContact CG-CD2 3.46Å; Y72-H351 VanDerWaalsContact CG-CD2 3.46Å; Y72-H351 AromaticContact CG-CE1 3.97Å; Y72-H351 AromaticContact CG-CG 3.71Å; Y72-H351 AromaticContact CG-NE2 3.63Å; Y72-H351 AromaticContact CZ-CD2 3.84Å; Y72-H351 AromaticContact CZ-NE2 3.57Å; Y72-Y356 HydrophobicContact CD2-CE2 4.3Å
73H97.4Very high97.3Very high26 Ų2630.8 Ų30.812%0.1216%0.163CC..EExtended strand (participates in β ladder)trans-152.9132.5-179.8-17163.8000111.4G75 S76 Y78 L119 S123H73-G75 PolarHBondContact O-N 2.65Å; H73-S76 PolarHBondContact N-O 3.38Å; H73-S76 PolarHBondContact O-N 3.24Å; H73-S76 VanDerWaalsContact O-N 3.1Å; H73-Y78 HydrophobicContact CB-CD2 4.47Å; H73-Y78 HydrophobicContact CB-CE2 4.13Å; H73-L119 HydrophobicContact CB-CD1 4.3Å; H73-L119 HydrophobicContact CB-CD2 4.28Å; H73-S123 WeakPolarHBondContact CE1-CB 3.43Å
74N95.3Very high97.4Very high120 Ų12024.7 Ų24.764%0.64213%0.131SC*.THydrogen-bonded Turntrans47.651.8177.1-65.4-14.2000114.3S76N74-S76 VanDerWaalsContact C-N 3.26Å; N74-S76 PolarHBondContact O-N 2.91Å
75G96.2Very high97.4Very high44 Ų4424.8 Ų24.845%0.45413%0.132SC..THydrogen-bonded Turntrans73.715.3176.200000114.2Y72 H73Y72-G75 WeakPolarHBondContact OH-CA 3.38Å; H73-G75 PolarHBondContact O-N 2.65Å
76S98.1Very high97.5Very high2 Ų222.2 Ų22.21%0.01412%0.119CC..EExtended strand (participates in β ladder)trans-137.5138.7-179-59.20000110.9Y72 H73 N74 R88 I89 N90Y72-S76 WeakPolarHBondContact CA-O 3.29Å; H73-S76 PolarHBondContact N-O 3.38Å; H73-S76 PolarHBondContact O-N 3.24Å; H73-S76 VanDerWaalsContact O-N 3.1Å; N74-S76 VanDerWaalsContact C-N 3.26Å; N74-S76 PolarHBondContact O-N 2.91Å; S76-R88 PolarHBondContact OG-NE 2.91Å; S76-R88 PolarHBondContact OG-NH2 3.13Å; S76-I89 CarbonylContact C-O 3.51Å; S76-I89 WeakPolarHBondContact CA-O 3.33Å; S76-N90 PolarHBondContact OG-ND2 2.91Å
77L98.5Very high97.6Very high6 Ų622.2 Ų22.23%0.03112%0.119CC..EExtended strand (participates in β ladder)trans-84.4135.7166.9-176.670.2000108.4I59 L70 Y72 I89 L349 Y356 I365I59-L77 HydrophobicContact CD1-CD2 4.43Å; L70-L77 HydrophobicContact CD2-CD1 4.19Å; L70-L77 HydrophobicContact CD2-CD2 4.32Å; L70-L77 HydrophobicContact CD2-CG 4.3Å; Y72-L77 HydrophobicContact CD2-CB 4.4Å; L77-I89 HydrophobicContact CB-CB 4.29Å; L77-I89 PolarHBondContact N-O 2.78Å; L77-I89 PolarHBondContact O-N 3.17Å; L77-L349 HydrophobicContact CD1-CD2 3.66Å; L77-Y356 HydrophobicContact CD1-CD1 4.46Å; L77-Y356 HydrophobicContact CD1-CD2 3.91Å; L77-Y356 HydrophobicContact CD1-CE2 4.21Å; L77-Y356 HydrophobicContact CD1-CG 4.04Å; L77-Y356 HydrophobicContact CD2-CD1 3.8Å; L77-Y356 HydrophobicContact CD2-CE1 4.01Å; L77-Y356 HydrophobicContact CD2-CG 4.16Å; L77-I365 HydrophobicContact CD2-CD1 3.71Å; L77-I365 HydrophobicContact CD2-CG2 4.28Å
78Y98.7Very high97.6Very high5 Ų526.5 Ų26.52%0.0214%0.135CC..EExtended strand (participates in β ladder)trans-117.8142.2172.4-59.6-101.7000109.8L70 I71 H73 I86 L87 R88 H97 F126L70-Y78 WeakPolarHBondContact CA-O 3.42Å; I71-Y78 HydrophobicContact CG1-CD2 4.27Å; I71-Y78 HydrophobicContact CG1-CG 4.39Å; I71-Y78 PolarHBondContact N-O 2.92Å; I71-Y78 VanDerWaalsContact N-O 3.1Å; I71-Y78 PolarHBondContact O-N 3.43Å; H73-Y78 HydrophobicContact CB-CD2 4.47Å; H73-Y78 HydrophobicContact CB-CE2 4.13Å; Y78-I86 HydrophobicContact CD1-CG2 4.22Å; Y78-L87 WeakPolarHBondContact CA-O 3.29Å; Y78-R88 HydrophobicContact CD1-CB 3.85Å; Y78-R88 HydrophobicContact CD1-CG 4.14Å; Y78-R88 HydrophobicContact CE1-CB 3.57Å; Y78-R88 HydrophobicContact CE1-CG 3.52Å; Y78-R88 WeakPolarHBondContact OH-CD 3.4Å; Y78-R88 PolarHBondContact OH-NE 2.88Å; Y78-H97 HydrophobicContact CD1-CB 4.36Å; Y78-H97 HydrophobicContact CE1-CB 4.32Å; Y78-H97 AromaticContact CE1-CG 3.9Å; Y78-H97 AromaticContact CE1-ND1 3.87Å; Y78-F126 AromaticContact CD1-CE2 3.75Å; Y78-F126 HydrophobicContact CD1-CE2 3.75Å; Y78-F126 AromaticContact CD1-CZ 3.71Å; Y78-F126 HydrophobicContact CD1-CZ 3.71Å; Y78-F126 AromaticContact CD2-CZ 3.92Å; Y78-F126 HydrophobicContact CD2-CZ 3.92Å; Y78-F126 AromaticContact CE1-CE2 3.85Å; Y78-F126 HydrophobicContact CE1-CE2 3.85Å; Y78-F126 AromaticContact CE1-CZ 3.69Å; Y78-F126 HydrophobicContact CE1-CZ 3.69Å; Y78-F126 AromaticContact CE2-CZ 3.92Å; Y78-F126 HydrophobicContact CE2-CZ 3.92Å; Y78-F126 HydrophobicContact CG-CE2 4.22Å; Y78-F126 AromaticContact CG-CZ 3.83Å; Y78-F126 HydrophobicContact CG-CZ 3.83Å; Y78-F126 AromaticContact CZ-CZ 3.81Å
79T98.7Very high97.6Very high0 Ų027.1 Ų27.10%014%0.138CC..EExtended strand (participates in β ladder)trans-137.6143176.2-170.20000111.7L61 P67 S69 V81 I86 L87 I89 I365L61-T79 HydrophobicContact CD2-CG2 4.47Å; P67-T79 WeakPolarHBondContact CA-OG1 3.33Å; P67-T79 HydrophobicContact CB-CG2 4.31Å; P67-T79 WeakPolarHBondContact CB-OG1 3.29Å; S69-T79 VanDerWaalsContact O-CA 3.29Å; S69-T79 WeakPolarHBondContact O-CA 3.09Å; T79-V81 HydrophobicContact CG2-CG1 4Å; T79-I86 CarbonylContact O-C 3.35Å; T79-I86 WeakPolarHBondContact O-CA 3.41Å; T79-L87 HydrophobicContact CG2-CB 3.94Å; T79-L87 HydrophobicContact CG2-CD1 4.16Å; T79-L87 HydrophobicContact CG2-CG 4.31Å; T79-L87 PolarHBondContact N-O 2.98Å; T79-L87 VanDerWaalsContact N-O 3.1Å; T79-L87 PolarHBondContact O-N 2.84Å; T79-I89 HydrophobicContact CG2-CD1 4.12Å; T79-I365 HydrophobicContact CG2-CD1 3.89Å
80T98.6Very high97.6Very high0 Ų028.9 Ų28.90%015%0.147CC..EExtended strand (participates in β ladder)trans-79.4143.8164.356.90000109.5P67 E68 S69 I86 P114 L117P67-T80 VanDerWaalsContact CA-O 3.24Å; P67-T80 WeakPolarHBondContact CA-O 3.34Å; E68-T80 PolarHBondContact N-O 2.63Å; E68-T80 PolarHBondContact OE2-OG1 3.24Å; S69-T80 PolarHBondContact N-OG1 3.41Å; S69-T80 PolarHBondContact O-N 2.76Å; S69-T80 VanDerWaalsContact O-N 3.13Å; T80-I86 HydrophobicContact CG2-CG1 4.49Å; T80-P114 WeakPolarHBondContact CB-O 3.23Å; T80-P114 HydrophobicContact CG2-CB 3.61Å; T80-P114 HydrophobicContact CG2-CG 4.01Å; T80-P114 PolarHBondContact OG1-O 3.08Å; T80-L117 HydrophobicContact CG2-CB 3.79Å; T80-L117 HydrophobicContact CG2-CD1 4.32Å; T80-L117 HydrophobicContact CG2-CD2 4.06Å; T80-L117 HydrophobicContact CG2-CG 4.27Å
81V97.9Very high97.4Very high0 Ų037.3 Ų37.30%019%0.192CC..EExtended strand (participates in β ladder)trans-135163.8179.5-65.30000112.4L61 Y64 N65 T79 Q83 G84 K85 L87L61-V81 HydrophobicContact CD1-CG1 4.3Å; Y64-V81 HydrophobicContact CD1-CG2 4.1Å; Y64-V81 HydrophobicContact CG-CG2 4.48Å; N65-V81 WeakPolarHBondContact O-CB 3.28Å; T79-V81 HydrophobicContact CG2-CG1 4Å; V81-Q83 PolarHBondContact O-N 3.02Å; V81-G84 PolarHBondContact O-N 3.34Å; V81-K85 HydrophobicContact CG2-CB 3.83Å; V81-K85 PolarHBondContact N-O 3.48Å; V81-K85 VanDerWaalsContact N-O 3.07Å; V81-L87 HydrophobicContact CG1-CD1 3.74Å; V81-L87 HydrophobicContact CG1-CG 4.11Å; V81-L87 HydrophobicContact CG2-CD1 4.43Å; V81-L87 HydrophobicContact CG2-CG 4.22Å
82I95.7Very high97.2Very high69 Ų6941.4 Ų41.435%0.35422%0.222SC..THydrogen-bonded Turntrans-53.8-32.7-176.1-67.6170.2000112.9N65 G84 F360N65-I82 HydrophobicContact CB-CD1 4.18Å; N65-I82 WeakPolarHBondContact O-CG1 3.25Å; N65-I82 PolarHBondContact O-N 3.27Å; I82-G84 PolarHBondContact O-N 2.99Å; I82-G84 VanDerWaalsContact O-N 3.07Å; I82-F360 WeakPolarHBondContact CD1-O 3.29Å
83Q94.6Very high97.2Very high62 Ų6239.2 Ų39.229%0.2922%0.221SC..THydrogen-bonded Turntrans-78.721.3-174.7-60.479.49.400114.1Y64 V81 K85Y64-Q83 HydrophobicContact CD1-CB 4.39Å; Y64-Q83 HydrophobicContact CD1-CG 4.33Å; V81-Q83 PolarHBondContact O-N 3.02Å; Q83-K85 VanDerWaalsContact C-N 3.33Å; Q83-K85 HydrophobicContact CB-CD 4.35Å; Q83-K85 PolarHBondContact O-N 3.22Å
84G96.9Very high97.2Very high1 Ų139.8 Ų39.81%0.0123%0.225CC..THydrogen-bonded Turntrans67.333.2176.900000113.6V81 I82 L100 C111V81-G84 PolarHBondContact O-N 3.34Å; I82-G84 PolarHBondContact O-N 2.99Å; I82-G84 VanDerWaalsContact O-N 3.07Å; G84-L100 PolarHBondContact O-N 2.81Å; G84-C111 WeakPolarHBondContact CA-O 2.8Å
85K97.3Very high97.3Very high46 Ų4639.7 Ų39.720%0.222%0.216CC..EExtended strand (participates in β ladder)trans-130.3156.3-172.2-74166.8-175.7164.80111.8Y64 V81 Q83 I96 A98 T99Y64-K85 HydrophobicContact CD1-CD 4.39Å; Y64-K85 HydrophobicContact CE1-CD 3.63Å; V81-K85 HydrophobicContact CG2-CB 3.83Å; V81-K85 PolarHBondContact N-O 3.48Å; V81-K85 VanDerWaalsContact N-O 3.07Å; Q83-K85 VanDerWaalsContact C-N 3.33Å; Q83-K85 HydrophobicContact CB-CD 4.35Å; Q83-K85 PolarHBondContact O-N 3.22Å; K85-I96 HydrophobicContact CD-CD1 4.17Å; K85-I96 HydrophobicContact CD-CG1 4.43Å; K85-I96 HydrophobicContact CD-CG2 4.27Å; K85-I96 HydrophobicContact CG-CG2 4.25Å; K85-A98 VanDerWaalsContact CA-O 3.3Å; K85-A98 WeakPolarHBondContact CA-O 3.24Å; K85-T99 HydrophobicContact CG-CG2 4.42Å
86I98.6Very high97.3Very high0 Ų041.3 Ų41.30%021%0.213CC..EExtended strand (participates in β ladder)trans-109.2123.4164.3-58.5175.2000107.1Y78 T79 T80 H97 A98 L100 L117 F126 V128 V138Y78-I86 HydrophobicContact CD1-CG2 4.22Å; T79-I86 CarbonylContact O-C 3.35Å; T79-I86 WeakPolarHBondContact O-CA 3.41Å; T80-I86 HydrophobicContact CG2-CG1 4.49Å; I86-H97 HydrophobicContact CB-CB 4.49Å; I86-H97 HydrophobicContact CG2-CB 4.28Å; I86-H97 WeakPolarHBondContact O-CB 3.4Å; I86-H97 PolarHBondContact O-N 2.9Å; I86-A98 HydrophobicContact CB-CB 4.33Å; I86-A98 HydrophobicContact CD1-CB 4.45Å; I86-A98 PolarHBondContact N-O 3.23Å; I86-A98 PolarHBondContact O-N 2.82Å; I86-L100 HydrophobicContact CD1-CD2 4.21Å; I86-L100 HydrophobicContact CG1-CD2 4.46Å; I86-L117 HydrophobicContact CD1-CD1 4.03Å; I86-F126 HydrophobicContact CD1-CD2 4.47Å; I86-V128 HydrophobicContact CD1-CG1 4.44Å; I86-V128 HydrophobicContact CD1-CG2 3.64Å; I86-V138 HydrophobicContact CD1-CB 4.27Å; I86-V138 HydrophobicContact CD1-CG1 4.26Å; I86-V138 HydrophobicContact CD1-CG2 4.01Å
87L98.6Very high97.3Very high0 Ų042.6 Ų42.60%022%0.219CC..EExtended strand (participates in β ladder)trans-93.9145.4173.3-54.2-178.8000109.7L61 Y64 Y78 T79 V81 I89 I94 Y95 I96L61-L87 HydrophobicContact CD2-CD1 4.19Å; Y64-L87 HydrophobicContact CD1-CD2 4.26Å; Y64-L87 HydrophobicContact CD2-CD1 3.7Å; Y64-L87 HydrophobicContact CD2-CD2 3.81Å; Y64-L87 HydrophobicContact CD2-CG 4.42Å; Y64-L87 HydrophobicContact CE1-CD2 4.3Å; Y64-L87 HydrophobicContact CE2-CD2 3.86Å; Y64-L87 HydrophobicContact CG-CD1 3.75Å; Y64-L87 HydrophobicContact CG-CD2 4.03Å; Y64-L87 HydrophobicContact CG-CG 4.44Å; Y78-L87 WeakPolarHBondContact CA-O 3.29Å; T79-L87 HydrophobicContact CG2-CB 3.94Å; T79-L87 HydrophobicContact CG2-CD1 4.16Å; T79-L87 HydrophobicContact CG2-CG 4.31Å; T79-L87 PolarHBondContact N-O 2.98Å; T79-L87 VanDerWaalsContact N-O 3.1Å; T79-L87 PolarHBondContact O-N 2.84Å; V81-L87 HydrophobicContact CG1-CD1 3.74Å; V81-L87 HydrophobicContact CG1-CG 4.11Å; V81-L87 HydrophobicContact CG2-CD1 4.43Å; V81-L87 HydrophobicContact CG2-CG 4.22Å; L87-I89 HydrophobicContact CB-CG1 4.49Å; L87-I94 HydrophobicContact CB-CG2 4.36Å; L87-I94 HydrophobicContact CD1-CG2 4.17Å; L87-Y95 CarbonylContact C-O 3.51Å; L87-Y95 WeakPolarHBondContact CA-O 3.36Å; L87-I96 HydrophobicContact CD2-CG1 4.34Å
88R98.4Very high97.3Very high90 Ų9042.5 Ų42.534%0.3422%0.22SC..EExtended strand (participates in β ladder)trans-109.9128.2166.5-179.8-179.3178.9-164.31.3108.5S76 Y78 I94 Y95 H97S76-R88 PolarHBondContact OG-NE 2.91Å; S76-R88 PolarHBondContact OG-NH2 3.13Å; Y78-R88 HydrophobicContact CD1-CB 3.85Å; Y78-R88 HydrophobicContact CD1-CG 4.14Å; Y78-R88 HydrophobicContact CE1-CB 3.57Å; Y78-R88 HydrophobicContact CE1-CG 3.52Å; Y78-R88 WeakPolarHBondContact OH-CD 3.4Å; Y78-R88 PolarHBondContact OH-NE 2.88Å; R88-I94 WeakPolarHBondContact O-CA 3.33Å; R88-Y95 PolarHBondContact N-O 3.43Å; R88-Y95 PolarHBondContact O-N 2.88Å; R88-H97 HydrophobicContact CB-CB 4.14Å
89I98.4Very high97.2Very high15 Ų1544.7 Ų44.78%0.07723%0.233CC..EExtended strand (participates in β ladder)trans-127.1125.1-173.7-54.7171.1000108.3I59 L61 S76 L77 T79 L87 I94 I365I59-I89 HydrophobicContact CG2-CG2 4.13Å; L61-I89 HydrophobicContact CD2-CD1 3.63Å; S76-I89 CarbonylContact C-O 3.51Å; S76-I89 WeakPolarHBondContact CA-O 3.33Å; L77-I89 HydrophobicContact CB-CB 4.29Å; L77-I89 PolarHBondContact N-O 2.78Å; L77-I89 PolarHBondContact O-N 3.17Å; T79-I89 HydrophobicContact CG2-CD1 4.12Å; L87-I89 HydrophobicContact CB-CG1 4.49Å; I89-I94 HydrophobicContact CG1-CD1 4.4Å; I89-I94 HydrophobicContact CG1-CG1 4.07Å; I89-I94 HydrophobicContact CG1-CG2 4.16Å; I89-I94 HydrophobicContact CG2-CG1 4.12Å; I89-I365 HydrophobicContact CD1-CD1 3.51Å
90N97Very high97.2Very high38 Ų3845.5 Ų45.520%0.20324%0.238CC..EExtended strand (participates in β ladder)trans-153.5-174.5173.860.239.5000110S76 S92 G93S76-N90 PolarHBondContact OG-ND2 2.91Å; N90-S92 PolarHBondContact O-N 2.8Å; N90-S92 VanDerWaalsContact O-N 3.09Å; N90-S92 WeakPolarHBondContact OD1-CA 3.47Å; N90-S92 VanDerWaalsContact OD1-CB 3.25Å; N90-S92 WeakPolarHBondContact OD1-CB 3.28Å; N90-S92 PolarHBondContact OD1-N 2.76Å; N90-G93 PolarHBondContact N-O 3.1Å; N90-G93 VanDerWaalsContact N-O 3.09Å; N90-G93 PolarHBondContact O-N 2.84Å; N90-G93 PolarHBondContact OD1-N 3.09Å
91D94.3Very high96.9Very high178 Ų17846.2 Ų46.295%0.95225%0.245SC*.THydrogen-bonded Turntrans-61.2-20-178.1-59.5-23.2000113.9
92S95Very high96.5Very high95 Ų9549.9 Ų49.966%0.66427%0.27SS*.THydrogen-bonded Turntrans-82.1-19.5175.8-53.70000113.1N90 Y95N90-S92 PolarHBondContact O-N 2.8Å; N90-S92 VanDerWaalsContact O-N 3.09Å; N90-S92 WeakPolarHBondContact OD1-CA 3.47Å; N90-S92 VanDerWaalsContact OD1-CB 3.25Å; N90-S92 WeakPolarHBondContact OD1-CB 3.28Å; N90-S92 PolarHBondContact OD1-N 2.76Å; S92-Y95 PolarHBondContact O-OH 2.96Å
93G96.2Very high95.9Very high26 Ų2654.5 Ų54.527%0.26830%0.295SS..EExtended strand (participates in β ladder)trans139.4-161.317700000114.3N90N90-G93 PolarHBondContact N-O 3.1Å; N90-G93 VanDerWaalsContact N-O 3.09Å; N90-G93 PolarHBondContact O-N 2.84Å; N90-G93 PolarHBondContact OD1-N 3.09Å
94I97.8Very high95.6Very high39 Ų3956.7 Ų56.720%0.232%0.317CS..EExtended strand (participates in β ladder)trans-113.6124.6-179.2-56.4-174.2000109.2D60 L61 I62 L87 R88 I89D60-I94 WeakPolarHBondContact O-CD1 3.01Å; L61-I94 HydrophobicContact CD2-CD1 4.3Å; I62-I94 HydrophobicContact CD1-CB 4.34Å; I62-I94 HydrophobicContact CD1-CD1 4.43Å; I62-I94 HydrophobicContact CG1-CD1 4.47Å; L87-I94 HydrophobicContact CB-CG2 4.36Å; L87-I94 HydrophobicContact CD1-CG2 4.17Å; R88-I94 WeakPolarHBondContact O-CA 3.33Å; I89-I94 HydrophobicContact CG1-CD1 4.4Å; I89-I94 HydrophobicContact CG1-CG1 4.07Å; I89-I94 HydrophobicContact CG1-CG2 4.16Å; I89-I94 HydrophobicContact CG2-CG1 4.12Å
95Y97Very high95.3Very high117 Ų11758.5 Ų58.546%0.45933%0.329SS..EExtended strand (participates in β ladder)trans-128.7148.9-177.5-52.2-85000110.5L87 R88 S92 H97L87-Y95 CarbonylContact C-O 3.51Å; L87-Y95 WeakPolarHBondContact CA-O 3.36Å; R88-Y95 PolarHBondContact N-O 3.43Å; R88-Y95 PolarHBondContact O-N 2.88Å; S92-Y95 PolarHBondContact O-OH 2.96Å; Y95-H97 PolarHBondContact O-N 3.09Å
96I97.5Very high94.9Very high78 Ų7864.4 Ų64.440%0.436%0.361SS..EExtended strand (participates in β ladder)trans-74.2116.1167.4-54.4172.7000107.1Y64 K85 L87Y64-I96 WeakPolarHBondContact OH-CD1 3.39Å; Y64-I96 WeakPolarHBondContact OH-CG1 3.39Å; K85-I96 HydrophobicContact CD-CD1 4.17Å; K85-I96 HydrophobicContact CD-CG1 4.43Å; K85-I96 HydrophobicContact CD-CG2 4.27Å; K85-I96 HydrophobicContact CG-CG2 4.25Å; L87-I96 HydrophobicContact CD2-CG1 4.34Å
97H98.2Very high94.3Very high29 Ų2965.6 Ų65.613%0.13437%0.374CS..EExtended strand (participates in β ladder)trans-80.7-45.4172.6-171.170.6000111Y78 I86 R88 Y95 F126 S139 V140 G143Y78-H97 HydrophobicContact CD1-CB 4.36Å; Y78-H97 HydrophobicContact CE1-CB 4.32Å; Y78-H97 AromaticContact CE1-CG 3.9Å; Y78-H97 AromaticContact CE1-ND1 3.87Å; I86-H97 HydrophobicContact CB-CB 4.49Å; I86-H97 HydrophobicContact CG2-CB 4.28Å; I86-H97 WeakPolarHBondContact O-CB 3.4Å; I86-H97 PolarHBondContact O-N 2.9Å; R88-H97 HydrophobicContact CB-CB 4.14Å; Y95-H97 PolarHBondContact O-N 3.09Å; H97-F126 AromaticContact CD2-CE2 3.65Å; H97-F126 AromaticContact NE2-CE2 3.69Å; H97-S139 PolarHBondContact NE2-O 3.06Å; H97-V140 PolarHBondContact CE1-O 3.02Å; H97-G143 WeakPolarHBondContact NE2-CA 3.46Å; H97-G143 WeakPolarHBondContact O-CA 3.45Å
98A98Very high93.8Very high5 Ų568.7 Ų68.74%0.04139%0.393CS..EExtended strand (participates in β ladder)trans-145.7148.1179.600000111.7K85 I86 L100 V138 G143 V145K85-A98 VanDerWaalsContact CA-O 3.3Å; K85-A98 WeakPolarHBondContact CA-O 3.24Å; I86-A98 HydrophobicContact CB-CB 4.33Å; I86-A98 HydrophobicContact CD1-CB 4.45Å; I86-A98 PolarHBondContact N-O 3.23Å; I86-A98 PolarHBondContact O-N 2.82Å; A98-L100 HydrophobicContact CB-CD2 4.33Å; A98-V138 HydrophobicContact CB-CG1 3.59Å; A98-G143 WeakPolarHBondContact CB-O 3.5Å; A98-V145 HydrophobicContact CB-CG2 4.08Å
99T97.3Very high93.5Very high50 Ų5068.3 Ų68.331%0.30740%0.395SS..EExtended strand (participates in β ladder)trans-113.2120.4165.4-59.70000107.1K85K85-T99 HydrophobicContact CG-CG2 4.42Å
100L97Very high93.2Very high18 Ų1872.2 Ų72.29%0.09441%0.412CS..  trans-87-42.3-168.7-55.1-178.8000112.4G84 I86 A98 P114 V128 L133 L136 V138 V145G84-L100 PolarHBondContact O-N 2.81Å; I86-L100 HydrophobicContact CD1-CD2 4.21Å; I86-L100 HydrophobicContact CG1-CD2 4.46Å; A98-L100 HydrophobicContact CB-CD2 4.33Å; L100-P114 HydrophobicContact CD1-CB 3.52Å; L100-P114 HydrophobicContact CD1-CG 3.53Å; L100-V128 HydrophobicContact CD1-CG1 3.78Å; L100-L133 HydrophobicContact CB-CD1 3.95Å; L100-L136 HydrophobicContact CB-CD1 3.93Å; L100-L136 HydrophobicContact CD1-CD1 4.14Å; L100-L136 HydrophobicContact CD2-CD1 4.06Å; L100-L136 HydrophobicContact CG-CD1 4.26Å; L100-V138 HydrophobicContact CD2-CG2 3.74Å; L100-V145 HydrophobicContact CD2-CG1 4.1Å; L100-V145 HydrophobicContact CD2-CG2 3.99Å
101G93.1Very high93.1Very high14 Ų1471.6 Ų71.614%0.14441%0.411CS..SBendtrans-77.2-177.2177.200000113.7E110 C111G101-E110 WeakPolarHBondContact CA-O 3.16Å; G101-C111 WeakPolarHBondContact CA-O 3.07Å; G101-C111 PolarHBondContact N-O 2.87Å
102S89.5Confident93.2Very high77 Ų7763.2 Ų63.254%0.53837%0.366SS..  trans-64.8141.4175.1-63.80000111S104 C105 E110S102-S104 PolarHBondContact O-N 2.83Å; S102-S104 VanDerWaalsContact O-N 3.07Å; S102-C105 WeakPolarHBondContact O-CB 3.28Å; S102-C105 PolarHBondContact O-N 2.85Å; S102-C105 PolarHBondContact O-SG 2.91Å; S102-C105 VanDerWaalsContact O-SG 3.37Å; S102-E110 PolarHBondContact N-O 3.07Å; S102-E110 VanDerWaalsContact N-O 3.09Å
103L84Confident93.4Very high166 Ų16659.5 Ų59.587%0.86934%0.337SS*.THydrogen-bonded Turntrans-56.5-28.6179.9-71.7170000113.6
104S87.3Confident93.5Very high108 Ų10858.2 Ų58.276%0.75533%0.325SS*.THydrogen-bonded Turntrans-110.127.3178.5-50.30000112.4S102S102-S104 PolarHBondContact O-N 2.83Å; S102-S104 VanDerWaalsContact O-N 3.07Å
105C91.2Very high93.5Very high40 Ų4056.9 Ų56.927%0.2732%0.318SS..  trans-60.5142.1177.170.30000111.1S102 E110 C111S102-C105 WeakPolarHBondContact O-CB 3.28Å; S102-C105 PolarHBondContact O-N 2.85Å; S102-C105 PolarHBondContact O-SG 2.91Å; S102-C105 VanDerWaalsContact O-SG 3.37Å; C105-E110 VanDerWaalsContact CB-C 3.49Å; C105-E110 HydrophobicContact CB-CB 3.73Å; C105-C111 HydrophobicContact CB-CB 3.83Å; C105-C111 WeakPolarHBondContact CB-SG 3.28Å; C105-C111 WeakPolarHBondContact SG-CA 3.25Å; C105-C111 WeakPolarHBondContact SG-CB 3.45Å; C105-C111 CovalentContact SG-SG 2.03Å; C105-C111 PolarHBondContact SG-SG 2.87Å
106I87.7Confident93.6Very high169 Ų16951.3 Ų51.387%0.86730%0.296SS*.  trans-114.2-42.3178.7-58.6174.7000109.8
107G87.3Confident93.6Very high26 Ų2647.6 Ų47.627%0.26828%0.277SS..SBendtrans-97.7163179.900000113H109 E110 C111G107-H109 PolarHBondContact O-N 2.86Å; G107-E110 WeakPolarHBondContact CA-OE2 3.43Å; G107-E110 PolarHBondContact N-OE2 2.86Å; G107-E110 PolarHBondContact O-N 2.81Å; G107-E110 VanDerWaalsContact O-OE2 3.1Å; G107-C111 WeakPolarHBondContact O-CB 3.25Å; G107-C111 PolarHBondContact O-N 2.81Å; G107-C111 PolarHBondContact O-SG 3.18Å
108V88.2Confident93.5Very high65 Ų6547.1 Ų47.139%0.39427%0.274SS..Hα-helixtrans-61.4-28.2177.4-63.80000112.5G112 Y132V108-G112 WeakPolarHBondContact O-CA 3.25Å; V108-G112 PolarHBondContact O-N 3.45Å; V108-Y132 HydrophobicContact CB-CE2 3.96Å; V108-Y132 HydrophobicContact CG2-CE2 4.14Å; V108-Y132 VanDerWaalsContact O-CD2 3.23Å; V108-Y132 WeakPolarHBondContact O-CD2 3.34Å
109H91Very high93.4Very high82 Ų8249.6 Ų49.638%0.3829%0.287SS..Hα-helixtrans-69.7-38.7178.7-70.4-76000112.3G107 Y132 L133G107-H109 PolarHBondContact O-N 2.86Å; H109-Y132 AromaticContact CE1-CD1 3.65Å; H109-Y132 AromaticContact CE1-CE1 3.63Å; H109-Y132 AromaticContact ND1-CD1 3.35Å; H109-Y132 WeakPolarHBondContact ND1-CD1 3.5Å; H109-Y132 AromaticContact ND1-CE1 3.77Å; H109-L133 WeakPolarHBondContact O-CD2 3.29Å
110E93Very high93.1Very high97 Ų9748.4 Ų48.445%0.45328%0.277SS..Hα-helixtrans-86.7-28.7179-53.180.3-169.700112.5G101 S102 C105 G107G101-E110 WeakPolarHBondContact CA-O 3.16Å; S102-E110 PolarHBondContact N-O 3.07Å; S102-E110 VanDerWaalsContact N-O 3.09Å; C105-E110 VanDerWaalsContact CB-C 3.49Å; C105-E110 HydrophobicContact CB-CB 3.73Å; G107-E110 WeakPolarHBondContact CA-OE2 3.43Å; G107-E110 PolarHBondContact N-OE2 2.86Å; G107-E110 PolarHBondContact O-N 2.81Å; G107-E110 VanDerWaalsContact O-OE2 3.1Å
111C95.1Very high92.7Very high25 Ų2551.5 Ų51.517%0.16929%0.294CS..Hα-helixtrans-77.9-30.7176.8-66.80000112.4G84 G101 C105 G107G84-C111 WeakPolarHBondContact CA-O 2.8Å; G101-C111 WeakPolarHBondContact CA-O 3.07Å; G101-C111 PolarHBondContact N-O 2.87Å; C105-C111 HydrophobicContact CB-CB 3.83Å; C105-C111 WeakPolarHBondContact CB-SG 3.28Å; C105-C111 WeakPolarHBondContact SG-CA 3.25Å; C105-C111 WeakPolarHBondContact SG-CB 3.45Å; C105-C111 CovalentContact SG-SG 2.03Å; C105-C111 PolarHBondContact SG-SG 2.87Å; G107-C111 WeakPolarHBondContact O-CB 3.25Å; G107-C111 PolarHBondContact O-N 2.81Å; G107-C111 PolarHBondContact O-SG 3.18Å
112G96.7Very high92.4Very high1 Ų158 Ų581%0.0133%0.325CS..  trans81.2167.3-171.900000112.9V108 D130V108-G112 WeakPolarHBondContact O-CA 3.25Å; V108-G112 PolarHBondContact O-N 3.45Å; G112-D130 WeakPolarHBondContact CA-OD1 3.46Å; G112-D130 WeakPolarHBondContact CA-OD2 3.41Å
113R97.4Very high92.6Very high17 Ų1756.5 Ų56.56%0.06432%0.315CS..  trans-146.494.1170.217448.2172.5132.2-12.4107.4G66 E68 L115 D130 A131 Y132 L182G66-R113 PolarHBondContact O-NH2 2.76Å; E68-R113 VanDerWaalsContact CB-NH2 3.35Å; R113-L115 HydrophobicContact CG-CD2 3.77Å; R113-L115 HydrophobicContact CG-CG 4.29Å; R113-L115 PolarHBondContact O-N 2.91Å; R113-D130 VanDerWaalsContact N-CG 3.28Å; R113-D130 PolarHBondContact N-OD1 2.92Å; R113-D130 VanDerWaalsContact N-OD1 3.1Å; R113-D130 PolarHBondContact N-OD2 3Å; R113-A131 HydrophobicContact CB-CB 4.24Å; R113-A131 PolarHBondContact O-N 3.3Å; R113-Y132 HydrophobicContact CB-CD2 3.91Å; R113-Y132 HydrophobicContact CB-CE2 3.64Å; R113-L182 HydrophobicContact CB-CD2 3.96Å; R113-L182 HydrophobicContact CG-CD2 3.34Å
114P98.3Very high93.1Very high0 Ų054 Ų540%030%0.299CS..EExtended strand (participates in β ladder)trans-68.8125.317824.4-31.7000110.1T80 L100 V128 T129 D130T80-P114 WeakPolarHBondContact CB-O 3.23Å; T80-P114 HydrophobicContact CG2-CB 3.61Å; T80-P114 HydrophobicContact CG2-CG 4.01Å; T80-P114 PolarHBondContact OG1-O 3.08Å; L100-P114 HydrophobicContact CD1-CB 3.52Å; L100-P114 HydrophobicContact CD1-CG 3.53Å; P114-V128 HydrophobicContact CB-CG1 3.68Å; P114-T129 CarbonylContact C-O 3.49Å; P114-T129 WeakPolarHBondContact CA-O 3.29Å; P114-D130 WeakPolarHBondContact CD-OD2 3.45Å; P114-D130 VanDerWaalsContact N-OD2 3.1Å
115L98.5Very high93.6Very high10 Ų1050.4 Ų50.45%0.05227%0.271CS..EExtended strand (participates in β ladder)trans-118.3-9-177.4-64.1-173.9000113.3E68 R113 T129 A131 F159 D161 L182E68-L115 VanDerWaalsContact CD-C 3.47Å; E68-L115 VanDerWaalsContact CD-CA 3.44Å; E68-L115 HydrophobicContact CG-CD2 3.77Å; E68-L115 WeakPolarHBondContact OE2-CA 3.49Å; R113-L115 HydrophobicContact CG-CD2 3.77Å; R113-L115 HydrophobicContact CG-CG 4.29Å; R113-L115 PolarHBondContact O-N 2.91Å; L115-T129 PolarHBondContact N-O 2.88Å; L115-A131 HydrophobicContact CD1-CB 3.72Å; L115-A131 HydrophobicContact CG-CB 4.08Å; L115-F159 HydrophobicContact CD1-CD2 4.27Å; L115-F159 HydrophobicContact CD1-CE2 3.56Å; L115-D161 CarbonylContact C-O 3.51Å; L115-D161 VanDerWaalsContact C-O 3.23Å; L115-D161 WeakPolarHBondContact CB-O 3.17Å; L115-L182 HydrophobicContact CD1-CD2 4.27Å; L115-L182 HydrophobicContact CD2-CD2 4.35Å
116G98.4Very high93.9Very high0 Ų048.5 Ų48.50%026%0.258CS..EExtended strand (participates in β ladder)trans-135.4138.2175.400000110.4V128 T129 D161 D162G116-V128 VanDerWaalsContact O-CA 3.31Å; G116-V128 WeakPolarHBondContact O-CA 3.14Å; G116-T129 PolarHBondContact N-O 2.86Å; G116-T129 PolarHBondContact O-N 2.74Å; G116-D161 PolarHBondContact N-O 3.31Å; G116-D162 WeakPolarHBondContact CA-OD1 3.41Å
117L98.3Very high94.4Very high0 Ų040.5 Ų40.50%022%0.217CC..EExtended strand (participates in β ladder)trans-142.5117.8177.3-171.965.5000111.4S69 I71 T80 I86 F126 L127 V128 K265S69-L117 PolarHBondContact OG-N 2.76Å; I71-L117 HydrophobicContact CD1-CD1 4.33Å; I71-L117 HydrophobicContact CD1-CD2 3.9Å; I71-L117 HydrophobicContact CD1-CG 3.84Å; I71-L117 HydrophobicContact CG1-CD2 3.71Å; I71-L117 HydrophobicContact CG1-CG 4.06Å; I71-L117 HydrophobicContact CG2-CD2 4.45Å; I71-L117 HydrophobicContact CG2-CG 4.16Å; I71-L117 VanDerWaalsContact CG2-O 3.28Å; I71-L117 WeakPolarHBondContact CG2-O 3.4Å; T80-L117 HydrophobicContact CG2-CB 3.79Å; T80-L117 HydrophobicContact CG2-CD1 4.32Å; T80-L117 HydrophobicContact CG2-CD2 4.06Å; T80-L117 HydrophobicContact CG2-CG 4.27Å; I86-L117 HydrophobicContact CD1-CD1 4.03Å; L117-F126 HydrophobicContact CD1-CB 3.75Å; L117-F126 HydrophobicContact CD1-CG 4.16Å; L117-L127 WeakPolarHBondContact CA-O 3.5Å; L117-V128 HydrophobicContact CD1-CG2 3.86Å; L117-K265 PolarHBondContact O-NZ 3.32Å
118K97Very high94.9Very high20 Ų2039.2 Ų39.29%0.08720%0.204CC..EExtended strand (participates in β ladder)trans-137.9160.4177.6-58.1-166.5-178.4-160.40112F126 L127 D162 S163 I221 E222K118-F126 CarbonylContact O-C 3.56Å; K118-F126 VanDerWaalsContact O-CA 3.24Å; K118-F126 WeakPolarHBondContact O-CA 3.36Å; K118-L127 HydrophobicContact CB-CB 4.35Å; K118-L127 PolarHBondContact N-O 2.76Å; K118-L127 PolarHBondContact O-N 2.79Å; K118-D162 IonicContact NZ-OD2 3.61Å; K118-S163 VanDerWaalsContact CD-O 3.28Å; K118-S163 WeakPolarHBondContact CD-O 3.34Å; K118-S163 WeakPolarHBondContact CE-O 3.25Å; K118-I221 PolarHBondContact NZ-O 3.28Å; K118-E222 IonicContact NZ-OE1 2.7Å; K118-E222 PolarHBondContact NZ-OE1 2.72Å; K118-E222 IonicContact NZ-OE2 2.81Å
119L95.4Very high95.4Very high57 Ų5736.1 Ų36.130%0.29819%0.185SC..EExtended strand (participates in β ladder)trans-85.3140.2169.5-72.2166.7000110I71 H73 F126 V140I71-L119 HydrophobicContact CD1-CD2 4.26Å; I71-L119 HydrophobicContact CD1-CG 4.29Å; H73-L119 HydrophobicContact CB-CD1 4.3Å; H73-L119 HydrophobicContact CB-CD2 4.28Å; L119-F126 HydrophobicContact CD2-CD1 3.69Å; L119-F126 HydrophobicContact CD2-CE1 3.6Å; L119-V140 HydrophobicContact CD2-CG2 4.5Å
120F91.1Very high95.7Very high25 Ų2532.2 Ų32.211%0.1117%0.167CC..EExtended strand (participates in β ladder)trans-149.2173.9170.183.3-68.6000111.8S123 E124 N125 F126 L127 S137 L148 I165 F171F120-S123 PolarHBondContact O-N 3.32Å; F120-E124 PolarHBondContact O-N 2.68Å; F120-N125 HydrophobicContact CD1-CB 3.81Å; F120-N125 WeakPolarHBondContact CD1-O 3.25Å; F120-N125 HydrophobicContact CE1-CB 3.26Å; F120-N125 HydrophobicContact CZ-CB 3.69Å; F120-N125 PolarHBondContact N-O 2.92Å; F120-N125 PolarHBondContact O-N 3.36Å; F120-N125 VanDerWaalsContact O-O 3.12Å; F120-F126 VanDerWaalsContact CE1-C 3.42Å; F120-F126 WeakPolarHBondContact CE1-O 3.43Å; F120-L127 HydrophobicContact CB-CB 4.48Å; F120-L127 HydrophobicContact CD1-CB 3.6Å; F120-L127 HydrophobicContact CE1-CB 4.04Å; F120-L127 HydrophobicContact CG-CB 4.19Å; F120-S137 WeakPolarHBondContact CZ-OG 3.38Å; F120-L148 HydrophobicContact CE2-CD2 4.41Å; F120-L148 HydrophobicContact CZ-CD1 4.24Å; F120-L148 HydrophobicContact CZ-CD2 4.16Å; F120-I165 HydrophobicContact CB-CD1 4.15Å; F120-I165 HydrophobicContact CB-CG2 4.21Å; F120-I165 HydrophobicContact CD2-CD1 4Å; F120-F171 HydrophobicContact CD2-CE1 4.43Å; F120-F171 HydrophobicContact CD2-CZ 4.09Å; F120-F171 HydrophobicContact CE2-CZ 4.19Å
121N87.7Confident96Very high83 Ų8327.6 Ų27.644%0.44415%0.146SC..THydrogen-bonded Turntrans52.860.3-176.3-164.452.6000112.5S123 E124N121-S123 PolarHBondContact O-N 3.44Å; N121-E124 PolarHBondContact ND2-OE2 3.3Å; N121-E124 VanDerWaalsContact O-CB 3.31Å; N121-E124 WeakPolarHBondContact O-CB 3.18Å; N121-E124 WeakPolarHBondContact O-CG 3.43Å; N121-E124 PolarHBondContact O-N 2.87Å
122N87.8Confident96.1Very high150 Ų15027.8 Ų27.880%0.80214%0.143SC*.THydrogen-bonded Turntrans55.432.4-175.8-58.6-32.1000114.2E124N122-E124 PolarHBondContact O-N 2.86Å
123S92.7Very high96Very high46 Ų4629 Ų2932%0.32215%0.149SC..THydrogen-bonded Turntrans64.919.1-176.4-48.40000114.7H73 F120 N121 N125 V140H73-S123 WeakPolarHBondContact CE1-CB 3.43Å; F120-S123 PolarHBondContact O-N 3.32Å; N121-S123 PolarHBondContact O-N 3.44Å; S123-N125 VanDerWaalsContact C-N 3.35Å; S123-V140 WeakPolarHBondContact O-CG2 3.21Å
124E96.1Very high96Very high114 Ų11428.2 Ų28.253%0.53315%0.146SC..THydrogen-bonded Turntrans-79.7-21.6173.3-63.9-179161.400112.4F120 N121 N122 V140F120-E124 PolarHBondContact O-N 2.68Å; N121-E124 PolarHBondContact ND2-OE2 3.3Å; N121-E124 VanDerWaalsContact O-CB 3.31Å; N121-E124 WeakPolarHBondContact O-CB 3.18Å; N121-E124 WeakPolarHBondContact O-CG 3.43Å; N121-E124 PolarHBondContact O-N 2.87Å; N122-E124 PolarHBondContact O-N 2.86Å; E124-V140 WeakPolarHBondContact O-CB 3.26Å; E124-V140 WeakPolarHBondContact O-CG2 3.34Å; E124-V140 PolarHBondContact O-N 2.81Å
125N97.2Very high95.9Very high31 Ų3128.4 Ų28.417%0.16615%0.147CC..EExtended strand (participates in β ladder)trans-134.6151.2-179.1-62.6-88.5000111.6F120 S123 S137 V138 S139F120-N125 HydrophobicContact CD1-CB 3.81Å; F120-N125 WeakPolarHBondContact CD1-O 3.25Å; F120-N125 HydrophobicContact CE1-CB 3.26Å; F120-N125 HydrophobicContact CZ-CB 3.69Å; F120-N125 PolarHBondContact N-O 2.92Å; F120-N125 PolarHBondContact O-N 3.36Å; F120-N125 VanDerWaalsContact O-O 3.12Å; S123-N125 VanDerWaalsContact C-N 3.35Å; N125-S137 PolarHBondContact OD1-OG 2.89Å; N125-V138 CarbonylContact C-O 3.48Å; N125-V138 VanDerWaalsContact CA-O 3.28Å; N125-V138 WeakPolarHBondContact CA-O 2.95Å; N125-S139 WeakPolarHBondContact OD1-CA 3.26Å
126F97.8Very high95.8Very high0 Ų028.1 Ų28.10%015%0.146CC..EExtended strand (participates in β ladder)trans-90.7128164-52.5-46.5000110I71 Y78 I86 H97 L117 K118 L119 F120 V128 S137 V138 V140I71-F126 HydrophobicContact CD1-CD1 3.19Å; I71-F126 HydrophobicContact CD1-CE1 3.15Å; I71-F126 HydrophobicContact CD1-CG 4.06Å; I71-F126 HydrophobicContact CD1-CZ 3.97Å; I71-F126 HydrophobicContact CG1-CE1 4.39Å; Y78-F126 AromaticContact CD1-CE2 3.75Å; Y78-F126 HydrophobicContact CD1-CE2 3.75Å; Y78-F126 AromaticContact CD1-CZ 3.71Å; Y78-F126 HydrophobicContact CD1-CZ 3.71Å; Y78-F126 AromaticContact CD2-CZ 3.92Å; Y78-F126 HydrophobicContact CD2-CZ 3.92Å; Y78-F126 AromaticContact CE1-CE2 3.85Å; Y78-F126 HydrophobicContact CE1-CE2 3.85Å; Y78-F126 AromaticContact CE1-CZ 3.69Å; Y78-F126 HydrophobicContact CE1-CZ 3.69Å; Y78-F126 AromaticContact CE2-CZ 3.92Å; Y78-F126 HydrophobicContact CE2-CZ 3.92Å; Y78-F126 HydrophobicContact CG-CE2 4.22Å; Y78-F126 AromaticContact CG-CZ 3.83Å; Y78-F126 HydrophobicContact CG-CZ 3.83Å; Y78-F126 AromaticContact CZ-CZ 3.81Å; I86-F126 HydrophobicContact CD1-CD2 4.47Å; H97-F126 AromaticContact CD2-CE2 3.65Å; H97-F126 AromaticContact NE2-CE2 3.69Å; L117-F126 HydrophobicContact CD1-CB 3.75Å; L117-F126 HydrophobicContact CD1-CG 4.16Å; K118-F126 CarbonylContact O-C 3.56Å; K118-F126 VanDerWaalsContact O-CA 3.24Å; K118-F126 WeakPolarHBondContact O-CA 3.36Å; L119-F126 HydrophobicContact CD2-CD1 3.69Å; L119-F126 HydrophobicContact CD2-CE1 3.6Å; F120-F126 VanDerWaalsContact CE1-C 3.42Å; F120-F126 WeakPolarHBondContact CE1-O 3.43Å; F126-V128 HydrophobicContact CB-CG2 4.08Å; F126-S137 WeakPolarHBondContact O-CA 3.21Å; F126-V138 HydrophobicContact CB-CB 4.25Å; F126-V138 HydrophobicContact CD2-CB 4.32Å; F126-V138 HydrophobicContact CD2-CG1 4.24Å; F126-V138 PolarHBondContact N-O 3.18Å; F126-V138 PolarHBondContact O-N 3.05Å; F126-V140 HydrophobicContact CD1-CG2 3.74Å; F126-V140 HydrophobicContact CD2-CG2 4.37Å; F126-V140 HydrophobicContact CE1-CG2 3.44Å; F126-V140 VanDerWaalsContact CE1-CG2 3.44Å; F126-V140 HydrophobicContact CE2-CG2 4.13Å; F126-V140 HydrophobicContact CG-CG2 4.2Å; F126-V140 HydrophobicContact CZ-CB 4.35Å; F126-V140 HydrophobicContact CZ-CG1 4.25Å; F126-V140 HydrophobicContact CZ-CG2 3.67Å
127L97.3Very high95.7Very high1 Ų128.8 Ų28.81%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-82.3119.9165.9178.265.3000106.7L117 K118 F120 V135 L148 S163 F171L117-L127 WeakPolarHBondContact CA-O 3.5Å; K118-L127 HydrophobicContact CB-CB 4.35Å; K118-L127 PolarHBondContact N-O 2.76Å; K118-L127 PolarHBondContact O-N 2.79Å; F120-L127 HydrophobicContact CB-CB 4.48Å; F120-L127 HydrophobicContact CD1-CB 3.6Å; F120-L127 HydrophobicContact CE1-CB 4.04Å; F120-L127 HydrophobicContact CG-CB 4.19Å; L127-V135 HydrophobicContact CD1-CG1 3.36Å; L127-V135 HydrophobicContact CG-CG1 4.32Å; L127-L148 HydrophobicContact CD1-CD1 3.42Å; L127-L148 VanDerWaalsContact CD1-CD1 3.42Å; L127-S163 WeakPolarHBondContact CD2-OG 3.26Å; L127-F171 HydrophobicContact CD1-CD1 3.71Å; L127-F171 HydrophobicContact CD1-CE1 3.38Å; L127-F171 HydrophobicContact CD1-CZ 4.34Å; L127-F171 HydrophobicContact CD2-CD1 3.67Å; L127-F171 HydrophobicContact CD2-CE1 3.65Å; L127-F171 HydrophobicContact CG-CD1 4.33Å; L127-F171 HydrophobicContact CG-CE1 4.09Å
128V98.4Very high95.7Very high0 Ų028.8 Ų28.80%015%0.15CC..EExtended strand (participates in β ladder)trans-122.1119.1-174.9-1710000109I86 L100 P114 G116 L117 F126 V135 L136 V138I86-V128 HydrophobicContact CD1-CG1 4.44Å; I86-V128 HydrophobicContact CD1-CG2 3.64Å; L100-V128 HydrophobicContact CD1-CG1 3.78Å; P114-V128 HydrophobicContact CB-CG1 3.68Å; G116-V128 VanDerWaalsContact O-CA 3.31Å; G116-V128 WeakPolarHBondContact O-CA 3.14Å; L117-V128 HydrophobicContact CD1-CG2 3.86Å; F126-V128 HydrophobicContact CB-CG2 4.08Å; V128-V135 CarbonylContact O-C 3.47Å; V128-V135 WeakPolarHBondContact O-CA 3.26Å; V128-L136 HydrophobicContact CB-CB 4.24Å; V128-L136 PolarHBondContact N-O 2.87Å; V128-L136 PolarHBondContact O-N 2.71Å; V128-V138 HydrophobicContact CG2-CB 4.23Å; V128-V138 HydrophobicContact CG2-CG2 3.64Å
129T98.3Very high95.8Very high0 Ų028.5 Ų28.50%015%0.151CC..EExtended strand (participates in β ladder)trans-93.9119.8171.8-47.40000108P114 L115 G116 V135 F160 D161 D162 S163P114-T129 CarbonylContact C-O 3.49Å; P114-T129 WeakPolarHBondContact CA-O 3.29Å; L115-T129 PolarHBondContact N-O 2.88Å; G116-T129 PolarHBondContact N-O 2.86Å; G116-T129 PolarHBondContact O-N 2.74Å; T129-V135 HydrophobicContact CG2-CG2 4.5Å; T129-F160 HydrophobicContact CG2-CB 3.77Å; T129-D161 WeakPolarHBondContact CG2-O 3.34Å; T129-D162 VanDerWaalsContact OG1-C 3.31Å; T129-S163 VanDerWaalsContact OG1-CB 3.28Å; T129-S163 WeakPolarHBondContact OG1-CB 3.34Å; T129-S163 PolarHBondContact OG1-N 3.39Å; T129-S163 PolarHBondContact OG1-OG 3.29Å
130D98.2Very high95.9Very high0 Ų026.7 Ų26.70%014%0.143CC..EExtended strand (participates in β ladder)trans-113.2132.5178.2-171.1-71.3000110.9G112 R113 P114 Y132 L133 G134G112-D130 WeakPolarHBondContact CA-OD1 3.46Å; G112-D130 WeakPolarHBondContact CA-OD2 3.41Å; R113-D130 VanDerWaalsContact N-CG 3.28Å; R113-D130 PolarHBondContact N-OD1 2.92Å; R113-D130 VanDerWaalsContact N-OD1 3.1Å; R113-D130 PolarHBondContact N-OD2 3Å; P114-D130 WeakPolarHBondContact CD-OD2 3.45Å; P114-D130 VanDerWaalsContact N-OD2 3.1Å; D130-Y132 PolarHBondContact O-N 3.47Å; D130-Y132 PolarHBondContact OD1-N 2.9Å; D130-L133 HydrophobicContact CB-CB 3.88Å; D130-L133 PolarHBondContact OD1-N 2.95Å; D130-G134 WeakPolarHBondContact CB-O 3.27Å; D130-G134 PolarHBondContact N-O 2.99Å; D130-G134 PolarHBondContact O-N 2.88Å
131A98.1Very high96.2Very high0 Ų034.9 Ų34.90%018%0.178CC..THydrogen-bonded Turntrans-57.7-20-177.500000114.7R113 L115 V157 F159 F160 L182R113-A131 HydrophobicContact CB-CB 4.24Å; R113-A131 PolarHBondContact O-N 3.3Å; L115-A131 HydrophobicContact CD1-CB 3.72Å; L115-A131 HydrophobicContact CG-CB 4.08Å; A131-V157 WeakPolarHBondContact O-CG1 3.46Å; A131-F159 HydrophobicContact CB-CD2 4.26Å; A131-F160 WeakPolarHBondContact CA-O 3.42Å; A131-L182 HydrophobicContact CB-CB 4.08Å; A131-L182 HydrophobicContact CB-CD2 3.88Å
132Y96.6Very high96.6Very high29 Ų2936 Ų3611%0.11418%0.184CC..THydrogen-bonded Turntrans-127.8-35.7-177-52.1-69.5000112.9V108 H109 R113 D130 L182 Q183V108-Y132 HydrophobicContact CB-CE2 3.96Å; V108-Y132 HydrophobicContact CG2-CE2 4.14Å; V108-Y132 VanDerWaalsContact O-CD2 3.23Å; V108-Y132 WeakPolarHBondContact O-CD2 3.34Å; H109-Y132 AromaticContact CE1-CD1 3.65Å; H109-Y132 AromaticContact CE1-CE1 3.63Å; H109-Y132 AromaticContact ND1-CD1 3.35Å; H109-Y132 WeakPolarHBondContact ND1-CD1 3.5Å; H109-Y132 AromaticContact ND1-CE1 3.77Å; R113-Y132 HydrophobicContact CB-CD2 3.91Å; R113-Y132 HydrophobicContact CB-CE2 3.64Å; D130-Y132 PolarHBondContact O-N 3.47Å; D130-Y132 PolarHBondContact OD1-N 2.9Å; Y132-L182 HydrophobicContact CE1-CB 4.29Å; Y132-L182 HydrophobicContact CE2-CD2 4.29Å; Y132-L182 WeakPolarHBondContact OH-CB 3.44Å; Y132-Q183 PolarHBondContact OH-N 2.92Å; Y132-Q183 VanDerWaalsContact OH-N 3.1Å
133L96.1Very high97.1Very high27 Ų2729.2 Ų29.214%0.14115%0.149CC..THydrogen-bonded Turntrans-88.8-11.4-172.9-56.1178.6000113.8L100 H109 D130 L136L100-L133 HydrophobicContact CB-CD1 3.95Å; H109-L133 WeakPolarHBondContact O-CD2 3.29Å; D130-L133 HydrophobicContact CB-CB 3.88Å; D130-L133 PolarHBondContact OD1-N 2.95Å; L133-L136 HydrophobicContact CB-CD1 4.32Å; L133-L136 HydrophobicContact CD1-CD1 4.48Å
134G96.3Very high97.3Very high0 Ų029.4 Ų29.40%015%0.151CC..EExtended strand (participates in β ladder)trans91.5-150.2-178.800000112D130 V157D130-G134 WeakPolarHBondContact CB-O 3.27Å; D130-G134 PolarHBondContact N-O 2.99Å; D130-G134 PolarHBondContact O-N 2.88Å; G134-V157 VanDerWaalsContact CA-CG2 3.45Å
135V96.7Very high97.4Very high3 Ų326.3 Ų26.32%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-100.5126.1-179.9-170.60000110.3L127 V128 T129 L148 F149 F160 I173L127-V135 HydrophobicContact CD1-CG1 3.36Å; L127-V135 HydrophobicContact CG-CG1 4.32Å; V128-V135 CarbonylContact O-C 3.47Å; V128-V135 WeakPolarHBondContact O-CA 3.26Å; T129-V135 HydrophobicContact CG2-CG2 4.5Å; V135-L148 HydrophobicContact CG1-CD1 3.95Å; V135-L148 PolarHBondContact O-N 3.13Å; V135-L148 VanDerWaalsContact O-N 3.08Å; V135-F149 HydrophobicContact CB-CE1 3.66Å; V135-F149 HydrophobicContact CB-CZ 3.77Å; V135-F149 HydrophobicContact CG1-CE1 4.46Å; V135-F149 HydrophobicContact CG2-CE1 3.91Å; V135-F149 HydrophobicContact CG2-CZ 3.68Å; V135-F160 HydrophobicContact CG2-CD2 4.16Å; V135-F160 HydrophobicContact CG2-CE2 4.46Å; V135-I173 HydrophobicContact CG2-CD1 3.57Å; V135-I173 HydrophobicContact CG2-CG1 3.84Å; V135-I173 HydrophobicContact CG2-CG2 4.43Å
136L96.8Very high97.3Very high4 Ų431.8 Ų31.82%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-118.8149.5-173.1-46.2173000110.8L100 V128 L133 V145 K146 K147L100-L136 HydrophobicContact CB-CD1 3.93Å; L100-L136 HydrophobicContact CD1-CD1 4.14Å; L100-L136 HydrophobicContact CD2-CD1 4.06Å; L100-L136 HydrophobicContact CG-CD1 4.26Å; V128-L136 HydrophobicContact CB-CB 4.24Å; V128-L136 PolarHBondContact N-O 2.87Å; V128-L136 PolarHBondContact O-N 2.71Å; L133-L136 HydrophobicContact CB-CD1 4.32Å; L133-L136 HydrophobicContact CD1-CD1 4.48Å; L136-V145 HydrophobicContact CB-CG1 4.22Å; L136-V145 HydrophobicContact CD1-CG1 4.01Å; L136-K146 CarbonylContact C-O 3.23Å; L136-K146 VanDerWaalsContact CA-O 3.29Å; L136-K146 WeakPolarHBondContact CA-O 3.42Å; L136-K147 HydrophobicContact CD2-CB 4.4Å; L136-K147 HydrophobicContact CD2-CG 3.65Å
137S96.8Very high97.1Very high14 Ų1437.9 Ų37.910%0.09819%0.189CC..EExtended strand (participates in β ladder)trans-100.6128.1163.6-177.90000108.5F120 N125 F126 V145 K146F120-S137 WeakPolarHBondContact CZ-OG 3.38Å; N125-S137 PolarHBondContact OD1-OG 2.89Å; F126-S137 WeakPolarHBondContact O-CA 3.21Å; S137-V145 CarbonylContact O-C 3.51Å; S137-V145 WeakPolarHBondContact O-CA 3.32Å; S137-K146 PolarHBondContact N-O 2.96Å; S137-K146 PolarHBondContact O-N 2.9Å
138V98.2Very high96.9Very high0 Ų039.6 Ų39.60%020%0.197CC..EExtended strand (participates in β ladder)trans-120.6121.3173.6-179.80000109.6I86 A98 L100 N125 F126 V128 V140 S144 V145I86-V138 HydrophobicContact CD1-CB 4.27Å; I86-V138 HydrophobicContact CD1-CG1 4.26Å; I86-V138 HydrophobicContact CD1-CG2 4.01Å; A98-V138 HydrophobicContact CB-CG1 3.59Å; L100-V138 HydrophobicContact CD2-CG2 3.74Å; N125-V138 CarbonylContact C-O 3.48Å; N125-V138 VanDerWaalsContact CA-O 3.28Å; N125-V138 WeakPolarHBondContact CA-O 2.95Å; F126-V138 HydrophobicContact CB-CB 4.25Å; F126-V138 HydrophobicContact CD2-CB 4.32Å; F126-V138 HydrophobicContact CD2-CG1 4.24Å; F126-V138 PolarHBondContact N-O 3.18Å; F126-V138 PolarHBondContact O-N 3.05Å; V128-V138 HydrophobicContact CG2-CB 4.23Å; V128-V138 HydrophobicContact CG2-CG2 3.64Å; V138-V140 PolarHBondContact O-N 2.81Å; V138-S144 CarbonylContact C-O 3.55Å; V138-S144 VanDerWaalsContact CA-O 3.32Å; V138-S144 WeakPolarHBondContact CA-O 3.44Å; V138-V145 HydrophobicContact CG2-CB 4.45Å; V138-V145 HydrophobicContact CG2-CG1 4.17Å; V138-V145 HydrophobicContact CG2-CG2 4.03Å
139S98Very high96.5Very high15 Ų1540.1 Ų40.111%0.10520%0.2CC..EExtended strand (participates in β ladder)trans-62129.6178.1158.80000111.3H97 N125 K141 D142 G143 S144H97-S139 PolarHBondContact NE2-O 3.06Å; N125-S139 WeakPolarHBondContact OD1-CA 3.26Å; S139-K141 PolarHBondContact O-N 2.83Å; S139-K141 PolarHBondContact OG-N 2.91Å; S139-D142 WeakPolarHBondContact CB-OD1 3.46Å; S139-D142 PolarHBondContact OG-N 3.1Å; S139-D142 PolarHBondContact OG-OD1 3.31Å; S139-G143 VanDerWaalsContact O-CA 3.28Å; S139-G143 WeakPolarHBondContact O-CA 3.28Å; S139-G143 PolarHBondContact O-N 3.3Å; S139-S144 VanDerWaalsContact CB-OG 3.27Å; S139-S144 WeakPolarHBondContact CB-OG 3.42Å; S139-S144 PolarHBondContact N-O 2.76Å
140V98Very high95.9Very high19 Ų1944.5 Ų44.512%0.11523%0.228CC..THydrogen-bonded Turntrans-67-28.3174.3175.60000111.1H97 L119 S123 E124 F126 V138H97-V140 PolarHBondContact CE1-O 3.02Å; L119-V140 HydrophobicContact CD2-CG2 4.5Å; S123-V140 WeakPolarHBondContact O-CG2 3.21Å; E124-V140 WeakPolarHBondContact O-CB 3.26Å; E124-V140 WeakPolarHBondContact O-CG2 3.34Å; E124-V140 PolarHBondContact O-N 2.81Å; F126-V140 HydrophobicContact CD1-CG2 3.74Å; F126-V140 HydrophobicContact CD2-CG2 4.37Å; F126-V140 HydrophobicContact CE1-CG2 3.44Å; F126-V140 VanDerWaalsContact CE1-CG2 3.44Å; F126-V140 HydrophobicContact CE2-CG2 4.13Å; F126-V140 HydrophobicContact CG-CG2 4.2Å; F126-V140 HydrophobicContact CZ-CB 4.35Å; F126-V140 HydrophobicContact CZ-CG1 4.25Å; F126-V140 HydrophobicContact CZ-CG2 3.67Å; V138-V140 PolarHBondContact O-N 2.81Å
141K96.8Very high95.4Very high196 Ų19647 Ų4785%0.85224%0.241SC*.THydrogen-bonded Turntrans-74.7-44.4-175.5-176.8-179.9177.7-177.60113S139S139-K141 PolarHBondContact O-N 2.83Å; S139-K141 PolarHBondContact OG-N 2.91Å
142D96.5Very high94.9Very high106 Ų10651 Ų5157%0.56726%0.263SS*.THydrogen-bonded Turntrans-135.2-0.4-167.965.66.5000114.5S139 S144S139-D142 WeakPolarHBondContact CB-OD1 3.46Å; S139-D142 PolarHBondContact OG-N 3.1Å; S139-D142 PolarHBondContact OG-OD1 3.31Å; D142-S144 PolarHBondContact O-N 3.31Å; D142-S144 VanDerWaalsContact OD1-CB 3.26Å; D142-S144 WeakPolarHBondContact OD1-CB 3.33Å; D142-S144 PolarHBondContact OD1-N 2.7Å; D142-S144 PolarHBondContact OD1-OG 3.17Å
143G97.6Very high94.4Very high8 Ų858.4 Ų58.48%0.08230%0.299CS..  trans72.99.3179.100000114.7H97 A98 S139 V145H97-G143 WeakPolarHBondContact NE2-CA 3.46Å; H97-G143 WeakPolarHBondContact O-CA 3.45Å; A98-G143 WeakPolarHBondContact CB-O 3.5Å; S139-G143 VanDerWaalsContact O-CA 3.28Å; S139-G143 WeakPolarHBondContact O-CA 3.28Å; S139-G143 PolarHBondContact O-N 3.3Å; G143-V145 WeakPolarHBondContact O-CG2 3.36Å; G143-V145 PolarHBondContact O-N 2.89Å
144S97.6Very high94Very high50 Ų5063.3 Ų63.335%0.3533%0.325SS..  trans-63.1133.6177.657.90000111.5V138 S139 D142V138-S144 CarbonylContact C-O 3.55Å; V138-S144 VanDerWaalsContact CA-O 3.32Å; V138-S144 WeakPolarHBondContact CA-O 3.44Å; S139-S144 VanDerWaalsContact CB-OG 3.27Å; S139-S144 WeakPolarHBondContact CB-OG 3.42Å; S139-S144 PolarHBondContact N-O 2.76Å; D142-S144 PolarHBondContact O-N 3.31Å; D142-S144 VanDerWaalsContact OD1-CB 3.26Å; D142-S144 WeakPolarHBondContact OD1-CB 3.33Å; D142-S144 PolarHBondContact OD1-N 2.7Å; D142-S144 PolarHBondContact OD1-OG 3.17Å
145V97.6Very high93.6Very high50 Ų5063.5 Ų63.530%0.30333%0.326SS..EExtended strand (participates in β ladder)trans-108.2134.7-172.1-172.70000110.4A98 L100 L136 S137 V138 G143A98-V145 HydrophobicContact CB-CG2 4.08Å; L100-V145 HydrophobicContact CD2-CG1 4.1Å; L100-V145 HydrophobicContact CD2-CG2 3.99Å; L136-V145 HydrophobicContact CB-CG1 4.22Å; L136-V145 HydrophobicContact CD1-CG1 4.01Å; S137-V145 CarbonylContact O-C 3.51Å; S137-V145 WeakPolarHBondContact O-CA 3.32Å; V138-V145 HydrophobicContact CG2-CB 4.45Å; V138-V145 HydrophobicContact CG2-CG1 4.17Å; V138-V145 HydrophobicContact CG2-CG2 4.03Å; G143-V145 WeakPolarHBondContact O-CG2 3.36Å; G143-V145 PolarHBondContact O-N 2.89Å
146K95.6Very high93.5Very high145 Ų14569.7 Ų69.763%0.6335%0.352SS*.EExtended strand (participates in β ladder)trans-138.6143.6174.6-63.6179.6-177174.40110.5L136 S137L136-K146 CarbonylContact C-O 3.23Å; L136-K146 VanDerWaalsContact CA-O 3.29Å; L136-K146 WeakPolarHBondContact CA-O 3.42Å; S137-K146 PolarHBondContact N-O 2.96Å; S137-K146 PolarHBondContact O-N 2.9Å
147K94Very high93.3Very high129 Ų12970.8 Ų70.856%0.56136%0.359SS*.EExtended strand (participates in β ladder)trans-72.5137.8167.5-68.4-174174.1-172.90109.6L136L136-K147 HydrophobicContact CD2-CB 4.4Å; L136-K147 HydrophobicContact CD2-CG 3.65Å
148L92.7Very high93.3Very high36 Ų3671.1 Ų71.119%0.18836%0.36CS..SBendtrans-81.1-24.8-179-80.6-177.7000113.9F120 L127 V135 F171 T203F120-L148 HydrophobicContact CE2-CD2 4.41Å; F120-L148 HydrophobicContact CZ-CD1 4.24Å; F120-L148 HydrophobicContact CZ-CD2 4.16Å; L127-L148 HydrophobicContact CD1-CD1 3.42Å; L127-L148 VanDerWaalsContact CD1-CD1 3.42Å; V135-L148 HydrophobicContact CG1-CD1 3.95Å; V135-L148 PolarHBondContact O-N 3.13Å; V135-L148 VanDerWaalsContact O-N 3.08Å; L148-F171 HydrophobicContact CD1-CE1 4.05Å; L148-F171 HydrophobicContact CD1-CE2 4.43Å; L148-F171 HydrophobicContact CD1-CZ 3.92Å; L148-T203 HydrophobicContact CB-CG2 4.08Å
149F89.4Confident93.3Very high11 Ų1171.1 Ų71.15%0.04836%0.361CS..SBendtrans-151.3155.5176.448.5-97.3000109.6V135 L151 F155 F160 I173 V201 T203V135-F149 HydrophobicContact CB-CE1 3.66Å; V135-F149 HydrophobicContact CB-CZ 3.77Å; V135-F149 HydrophobicContact CG1-CE1 4.46Å; V135-F149 HydrophobicContact CG2-CE1 3.91Å; V135-F149 HydrophobicContact CG2-CZ 3.68Å; F149-L151 HydrophobicContact CD2-CD2 4.39Å; F149-L151 HydrophobicContact CE2-CD2 3.93Å; F149-F155 HydrophobicContact CD2-CD1 4.28Å; F149-F155 AromaticContact CD2-CE1 3.84Å; F149-F155 HydrophobicContact CD2-CE1 3.84Å; F149-F155 HydrophobicContact CE2-CD1 4.13Å; F149-F155 AromaticContact CE2-CE1 3.37Å; F149-F155 HydrophobicContact CE2-CE1 3.37Å; F149-F155 HydrophobicContact CE2-CZ 4.14Å; F149-F155 HydrophobicContact CZ-CE1 4.09Å; F149-F160 HydrophobicContact CZ-CE2 4.43Å; F149-I173 HydrophobicContact CE1-CD1 3.9Å; F149-I173 HydrophobicContact CE2-CD1 4.49Å; F149-I173 HydrophobicContact CZ-CD1 3.46Å; F149-I173 VanDerWaalsContact CZ-CD1 3.46Å; F149-V201 HydrophobicContact CB-CG1 4.24Å; F149-V201 HydrophobicContact CD1-CB 4.39Å; F149-V201 HydrophobicContact CD1-CG1 3.69Å; F149-V201 HydrophobicContact CD2-CG1 4.38Å; F149-V201 HydrophobicContact CE1-CB 4.35Å; F149-V201 HydrophobicContact CE1-CG1 4.09Å; F149-V201 HydrophobicContact CE1-CG2 4.32Å; F149-V201 HydrophobicContact CG-CG1 3.85Å; F149-V201 HydrophobicContact CZ-CG2 4.36Å; F149-T203 HydrophobicContact CD1-CG2 4.25Å
150P86Confident93.3Very high93 Ų9370.4 Ų70.460%0.60436%0.356SS*.  trans-66.8145.3175.328.8-34.3000110.9
151L88.7Confident93.3Very high52 Ų5269.9 Ų69.927%0.27235%0.352SS..  trans-105.7142.4165-63.7169.6000107.5F149 F155 V157F149-L151 HydrophobicContact CD2-CD2 4.39Å; F149-L151 HydrophobicContact CE2-CD2 3.93Å; L151-F155 CarbonylContact C-O 3.35Å; L151-F155 VanDerWaalsContact CA-O 3.29Å; L151-F155 WeakPolarHBondContact CA-O 3.16Å; L151-F155 WeakPolarHBondContact CB-O 3.31Å; L151-F155 HydrophobicContact CD2-CD1 4.23Å; L151-F155 HydrophobicContact CD2-CE1 4.46Å; L151-F155 WeakPolarHBondContact CD2-O 3.45Å; L151-V157 HydrophobicContact CD1-CG2 3.51Å; L151-V157 HydrophobicContact CD2-CG2 3.91Å; L151-V157 HydrophobicContact CG-CG2 4.37Å
152D87.7Confident93.4Very high84 Ų8460.8 Ų60.845%0.44931%0.313SS..  trans-142.9-169.4-178.46632.5000111.8N154 F155D152-N154 PolarHBondContact O-N 2.68Å; D152-N154 WeakPolarHBondContact OD1-CA 3.34Å; D152-N154 WeakPolarHBondContact OD1-CB 3.28Å; D152-N154 PolarHBondContact OD1-N 2.88Å; D152-F155 PolarHBondContact N-O 2.88Å; D152-F155 CarbonylContact O-C 3.58Å; D152-F155 VanDerWaalsContact O-C 3.32Å; D152-F155 PolarHBondContact O-N 2.71Å; D152-F155 PolarHBondContact OD1-N 2.95Å
153E85.9Confident93.5Very high185 Ų18555.8 Ų55.886%0.86429%0.286SS*.SBendtrans-62.4-28.9-179.7-62.4-172.5167.600113.1
154N86.3Confident93.4Very high129 Ų12955.6 Ų55.669%0.6928%0.283SS*.SBendtrans-90.2-34.4-179-60.5-47.6000111.9D152 Y208D152-N154 PolarHBondContact O-N 2.68Å; D152-N154 WeakPolarHBondContact OD1-CA 3.34Å; D152-N154 WeakPolarHBondContact OD1-CB 3.28Å; D152-N154 PolarHBondContact OD1-N 2.88Å; N154-Y208 PolarHBondContact O-OH 3.47Å
155F89.6Confident93.3Very high4 Ų455.8 Ų55.82%0.01828%0.28CS..SBendtrans-122.690.3176.8-166.3-141.6000111.9F149 L151 D152 F160 I173 T199 V201 Y208F149-F155 HydrophobicContact CD2-CD1 4.28Å; F149-F155 AromaticContact CD2-CE1 3.84Å; F149-F155 HydrophobicContact CD2-CE1 3.84Å; F149-F155 HydrophobicContact CE2-CD1 4.13Å; F149-F155 AromaticContact CE2-CE1 3.37Å; F149-F155 HydrophobicContact CE2-CE1 3.37Å; F149-F155 HydrophobicContact CE2-CZ 4.14Å; F149-F155 HydrophobicContact CZ-CE1 4.09Å; L151-F155 CarbonylContact C-O 3.35Å; L151-F155 VanDerWaalsContact CA-O 3.29Å; L151-F155 WeakPolarHBondContact CA-O 3.16Å; L151-F155 WeakPolarHBondContact CB-O 3.31Å; L151-F155 HydrophobicContact CD2-CD1 4.23Å; L151-F155 HydrophobicContact CD2-CE1 4.46Å; L151-F155 WeakPolarHBondContact CD2-O 3.45Å; D152-F155 PolarHBondContact N-O 2.88Å; D152-F155 CarbonylContact O-C 3.58Å; D152-F155 VanDerWaalsContact O-C 3.32Å; D152-F155 PolarHBondContact O-N 2.71Å; D152-F155 PolarHBondContact OD1-N 2.95Å; F155-F160 HydrophobicContact CE2-CE1 4.45Å; F155-F160 AromaticContact CE2-CZ 3.77Å; F155-F160 HydrophobicContact CE2-CZ 3.77Å; F155-F160 HydrophobicContact CZ-CE2 4.3Å; F155-F160 AromaticContact CZ-CZ 3.73Å; F155-F160 HydrophobicContact CZ-CZ 3.73Å; F155-I173 HydrophobicContact CZ-CD1 4.38Å; F155-T199 HydrophobicContact CE2-CG2 3.84Å; F155-T199 HydrophobicContact CZ-CG2 3.81Å; F155-V201 HydrophobicContact CE1-CG2 3.99Å; F155-V201 HydrophobicContact CZ-CG2 4.04Å; F155-Y208 HydrophobicContact CB-CD1 4.04Å; F155-Y208 HydrophobicContact CB-CE1 3.48Å; F155-Y208 VanDerWaalsContact CB-CE1 3.48Å; F155-Y208 HydrophobicContact CB-CE2 4.22Å; F155-Y208 AromaticContact CD1-CD1 3.86Å; F155-Y208 HydrophobicContact CD1-CD1 3.86Å; F155-Y208 HydrophobicContact CD1-CE1 4.2Å; F155-Y208 HydrophobicContact CD1-CG 4.1Å; F155-Y208 HydrophobicContact CD2-CD2 4.1Å; F155-Y208 HydrophobicContact CD2-CE2 4.02Å; F155-Y208 HydrophobicContact CD2-CG 4.39Å; F155-Y208 HydrophobicContact CE1-CD1 4.46Å; F155-Y208 HydrophobicContact CE1-CG 4.31Å; F155-Y208 HydrophobicContact CE2-CD2 4.37Å; F155-Y208 AromaticContact CG-CD1 3.94Å; F155-Y208 HydrophobicContact CG-CD1 3.94Å; F155-Y208 HydrophobicContact CG-CD2 4.25Å; F155-Y208 AromaticContact CG-CE1 3.86Å; F155-Y208 HydrophobicContact CG-CE1 3.86Å; F155-Y208 HydrophobicContact CG-CE2 4.16Å; F155-Y208 HydrophobicContact CG-CG 4.15Å; F155-Y208 AromaticContact CG-CZ 3.96Å
156K92.7Very high93.1Very high133 Ų13353.9 Ų53.958%0.57827%0.268SS*.  trans-115.2154.8175.967.4-173.3179.6-172.80111.1
157V94.5Very high92.7Very high27 Ų2752 Ų5216%0.16427%0.27CS..  trans-80.2124.1175.3-177.90000108.8A131 G134 L151 F160A131-V157 WeakPolarHBondContact O-CG1 3.46Å; G134-V157 VanDerWaalsContact CA-CG2 3.45Å; L151-V157 HydrophobicContact CD1-CG2 3.51Å; L151-V157 HydrophobicContact CD2-CG2 3.91Å; L151-V157 HydrophobicContact CG-CG2 4.37Å; V157-F160 HydrophobicContact CG1-CB 4.16Å; V157-F160 HydrophobicContact CG1-CD1 3.99Å; V157-F160 HydrophobicContact CG1-CD2 4.22Å; V157-F160 HydrophobicContact CG1-CE1 4.45Å; V157-F160 HydrophobicContact CG1-CG 3.85Å; V157-F160 HydrophobicContact CG2-CD2 3.86Å; V157-F160 HydrophobicContact CG2-CE1 4.37Å; V157-F160 HydrophobicContact CG2-CE2 3.67Å; V157-F160 HydrophobicContact CG2-CG 4.29Å; V157-F160 HydrophobicContact CG2-CZ 3.94Å
158T96.1Very high92.5Very high21 Ų2151.2 Ų51.213%0.12927%0.272CS..SBendtrans-99.3-53.4164.5-45.50000110E175 S177 T181T158-E175 WeakPolarHBondContact CB-OE1 3Å; T158-E175 PolarHBondContact N-OE1 3.14Å; T158-E175 VanDerWaalsContact N-OE1 3.14Å; T158-E175 PolarHBondContact OG1-OE1 3.05Å; T158-E175 VanDerWaalsContact OG1-OE1 3.07Å; T158-S177 VanDerWaalsContact CB-O 3.25Å; T158-S177 WeakPolarHBondContact CB-O 3.26Å; T158-S177 VanDerWaalsContact CG2-O 3.3Å; T158-S177 WeakPolarHBondContact CG2-O 3.17Å; T158-T181 HydrophobicContact CG2-CG2 4.39Å; T158-T181 WeakPolarHBondContact O-CA 3.05Å; T158-T181 WeakPolarHBondContact O-CG2 3.45Å
159F97.5Very high92.3Very high1 Ų151 Ų510%0.00428%0.278CS..  trans-160.177.5-179.8-167.4169000109.3L115 A131 E175 A176 L182 L185 F217L115-F159 HydrophobicContact CD1-CD2 4.27Å; L115-F159 HydrophobicContact CD1-CE2 3.56Å; A131-F159 HydrophobicContact CB-CD2 4.26Å; F159-E175 CarbonylContact O-C 3.58Å; F159-E175 WeakPolarHBondContact O-CA 3.21Å; F159-A176 HydrophobicContact CD1-CB 4.03Å; F159-A176 HydrophobicContact CD2-CB 4.09Å; F159-A176 HydrophobicContact CE1-CB 4.18Å; F159-A176 HydrophobicContact CE2-CB 4.19Å; F159-A176 HydrophobicContact CG-CB 3.98Å; F159-A176 HydrophobicContact CZ-CB 4.24Å; F159-A176 PolarHBondContact O-N 2.84Å; F159-L182 HydrophobicContact CD1-CB 4.28Å; F159-L182 HydrophobicContact CD2-CB 3.94Å; F159-L182 HydrophobicContact CE1-CB 4.01Å; F159-L182 HydrophobicContact CE1-CD1 4.07Å; F159-L182 HydrophobicContact CE2-CB 3.67Å; F159-L182 HydrophobicContact CE2-CD1 3.75Å; F159-L182 HydrophobicContact CE2-CG 4.2Å; F159-L182 HydrophobicContact CG-CB 4.26Å; F159-L182 HydrophobicContact CZ-CB 3.71Å; F159-L182 HydrophobicContact CZ-CD1 3.3Å; F159-L182 HydrophobicContact CZ-CG 4.08Å; F159-L185 HydrophobicContact CE1-CD1 4.19Å; F159-L185 HydrophobicContact CZ-CD1 4.22Å; F159-F217 HydrophobicContact CE1-CE2 4.06Å; F159-F217 AromaticContact CE1-CZ 3.96Å; F159-F217 HydrophobicContact CE1-CZ 3.96Å; F159-F217 HydrophobicContact CZ-CE2 4.36Å; F159-F217 AromaticContact CZ-CZ 3.79Å; F159-F217 HydrophobicContact CZ-CZ 3.79Å
160F98.2Very high92.4Very high0 Ų051.2 Ų51.20%028%0.281CS..EExtended strand (participates in β ladder)trans-74.7135.6172.1-71.23.8000109.6T129 A131 V135 F149 F155 V157 I173 T174 E175T129-F160 HydrophobicContact CG2-CB 3.77Å; A131-F160 WeakPolarHBondContact CA-O 3.42Å; V135-F160 HydrophobicContact CG2-CD2 4.16Å; V135-F160 HydrophobicContact CG2-CE2 4.46Å; F149-F160 HydrophobicContact CZ-CE2 4.43Å; F155-F160 HydrophobicContact CE2-CE1 4.45Å; F155-F160 AromaticContact CE2-CZ 3.77Å; F155-F160 HydrophobicContact CE2-CZ 3.77Å; F155-F160 HydrophobicContact CZ-CE2 4.3Å; F155-F160 AromaticContact CZ-CZ 3.73Å; F155-F160 HydrophobicContact CZ-CZ 3.73Å; V157-F160 HydrophobicContact CG1-CB 4.16Å; V157-F160 HydrophobicContact CG1-CD1 3.99Å; V157-F160 HydrophobicContact CG1-CD2 4.22Å; V157-F160 HydrophobicContact CG1-CE1 4.45Å; V157-F160 HydrophobicContact CG1-CG 3.85Å; V157-F160 HydrophobicContact CG2-CD2 3.86Å; V157-F160 HydrophobicContact CG2-CE1 4.37Å; V157-F160 HydrophobicContact CG2-CE2 3.67Å; V157-F160 HydrophobicContact CG2-CG 4.29Å; V157-F160 HydrophobicContact CG2-CZ 3.94Å; F160-I173 HydrophobicContact CB-CG2 4.17Å; F160-I173 HydrophobicContact CD1-CG2 4.16Å; F160-I173 HydrophobicContact CD2-CG2 3.78Å; F160-I173 HydrophobicContact CE2-CD1 4.12Å; F160-I173 HydrophobicContact CE2-CG2 4.18Å; F160-I173 HydrophobicContact CG-CG2 3.79Å; F160-T174 WeakPolarHBondContact CA-O 3.02Å; F160-E175 HydrophobicContact CD1-CB 3.99Å; F160-E175 HydrophobicContact CD1-CG 3.94Å; F160-E175 HydrophobicContact CE1-CB 4.24Å; F160-E175 HydrophobicContact CE1-CG 4.18Å
161D98.6Very high92.9Very high8 Ų847 Ų474%0.04325%0.253CS..EExtended strand (participates in β ladder)trans-111.6-65.2-170.3-154.2-91.5000109.9L115 G116 T129 T174 A176 N219L115-D161 CarbonylContact C-O 3.51Å; L115-D161 VanDerWaalsContact C-O 3.23Å; L115-D161 WeakPolarHBondContact CB-O 3.17Å; G116-D161 PolarHBondContact N-O 3.31Å; T129-D161 WeakPolarHBondContact CG2-O 3.34Å; D161-T174 PolarHBondContact N-O 2.84Å; D161-A176 HydrophobicContact CB-CB 4.22Å; D161-N219 VanDerWaalsContact OD1-CA 3.28Å; D161-N219 WeakPolarHBondContact OD1-CA 3.37Å; D161-N219 VanDerWaalsContact OD1-CG 3.27Å; D161-N219 PolarHBondContact OD1-OD1 3.38Å
162D98.6Very high93.3Very high5 Ų544.5 Ų44.53%0.02724%0.241CC..EExtended strand (participates in β ladder)trans-138.5169.3176.8-168.320.9000111.6G116 K118 T129 T174 I221G116-D162 WeakPolarHBondContact CA-OD1 3.41Å; K118-D162 IonicContact NZ-OD2 3.61Å; T129-D162 VanDerWaalsContact OG1-C 3.31Å; D162-T174 PolarHBondContact N-OG1 3.33Å; D162-T174 PolarHBondContact O-N 3.41Å; D162-T174 PolarHBondContact O-OG1 3.29Å; D162-T174 VanDerWaalsContact O-OG1 3.06Å; D162-I221 HydrophobicContact CB-CG2 3.94Å; D162-I221 PolarHBondContact OD2-N 2.66Å
163S98Very high93.8Very high0 Ų040.6 Ų40.60%022%0.219CC..EExtended strand (participates in β ladder)trans-149.5157.3176.1660000112.6K118 L127 T129 I172K118-S163 VanDerWaalsContact CD-O 3.28Å; K118-S163 WeakPolarHBondContact CD-O 3.34Å; K118-S163 WeakPolarHBondContact CE-O 3.25Å; L127-S163 WeakPolarHBondContact CD2-OG 3.26Å; T129-S163 VanDerWaalsContact OG1-CB 3.28Å; T129-S163 WeakPolarHBondContact OG1-CB 3.34Å; T129-S163 PolarHBondContact OG1-N 3.39Å; T129-S163 PolarHBondContact OG1-OG 3.29Å; S163-I172 CarbonylContact C-O 3.55Å; S163-I172 WeakPolarHBondContact CA-O 3.29Å; S163-I172 WeakPolarHBondContact CB-O 3.26Å
164V96.9Very high94.4Very high4 Ų431.8 Ų31.82%0.02418%0.178CC..EExtended strand (participates in β ladder)trans-133.1146.4175.771.90000110.7L166 F171 I172 I221 L223 I230V164-L166 HydrophobicContact CG1-CD2 4.4Å; V164-F171 CarbonylContact O-C 3.48Å; V164-F171 VanDerWaalsContact O-CA 3.25Å; V164-F171 WeakPolarHBondContact O-CA 3.42Å; V164-I172 HydrophobicContact CG1-CB 4.19Å; V164-I172 PolarHBondContact N-O 3.27Å; V164-I172 PolarHBondContact O-N 3.02Å; V164-I221 HydrophobicContact CB-CG1 4.34Å; V164-I221 HydrophobicContact CB-CG2 4.35Å; V164-I221 HydrophobicContact CG1-CD1 3.7Å; V164-I221 HydrophobicContact CG1-CG1 3.85Å; V164-L223 HydrophobicContact CG2-CB 3.71Å; V164-I230 HydrophobicContact CG1-CG2 4.04Å
165I94.7Very high95Very high54 Ų5425.6 Ų25.628%0.27715%0.145SC..EExtended strand (participates in β ladder)trans-92.9132.9171.7-169.8170.3000109.9F120 F171F120-I165 HydrophobicContact CB-CD1 4.15Å; F120-I165 HydrophobicContact CB-CG2 4.21Å; F120-I165 HydrophobicContact CD2-CD1 4Å; I165-F171 HydrophobicContact CB-CD1 3.95Å; I165-F171 HydrophobicContact CB-CE1 3.67Å; I165-F171 HydrophobicContact CB-CZ 4.23Å; I165-F171 HydrophobicContact CD1-CE1 3.83Å; I165-F171 HydrophobicContact CD1-CE2 4.17Å; I165-F171 HydrophobicContact CD1-CZ 3.51Å; I165-F171 HydrophobicContact CG1-CD1 4.26Å; I165-F171 HydrophobicContact CG1-CE1 3.8Å; I165-F171 HydrophobicContact CG1-CE2 4.27Å; I165-F171 HydrophobicContact CG1-CZ 3.83Å
166L93.6Very high95.4Very high11 Ų1125.4 Ų25.46%0.05815%0.145CC..  trans-90160.2176.9-59.5-173.3000111.2V164 N168 G169 S170 I172 M200 L223 I230 L245V164-L166 HydrophobicContact CG1-CD2 4.4Å; L166-N168 VanDerWaalsContact CB-OD1 3.25Å; L166-N168 WeakPolarHBondContact CB-OD1 3.16Å; L166-N168 PolarHBondContact O-N 2.93Å; L166-N168 VanDerWaalsContact O-N 3.11Å; L166-G169 PolarHBondContact O-N 3.09Å; L166-S170 WeakPolarHBondContact CB-O 3.46Å; L166-S170 PolarHBondContact N-O 2.85Å; L166-I172 HydrophobicContact CD1-CD1 3.86Å; L166-I172 HydrophobicContact CD1-CG1 4.02Å; L166-I172 HydrophobicContact CD2-CD1 3.96Å; L166-I172 HydrophobicContact CD2-CG1 4.36Å; L166-I172 HydrophobicContact CG-CD1 4.25Å; L166-I172 HydrophobicContact CG-CG1 4.26Å; L166-M200 HydrophobicContact CD1-SD 4.18Å; L166-L223 HydrophobicContact CD2-CD1 4.14Å; L166-I230 HydrophobicContact CD2-CG2 4.25Å; L166-L245 HydrophobicContact CD1-CD2 4.09Å; L166-L245 HydrophobicContact CD2-CD1 3.9Å; L166-L245 HydrophobicContact CD2-CD2 3.91Å
167P87.7Confident95.6Very high104 Ų10419.1 Ų19.168%0.67512%0.117SC*.THydrogen-bonded Turntrans-57.4-26.5176.7-27.135.8000114.7G169 L223P167-G169 VanDerWaalsContact C-N 3.26Å; P167-G169 PolarHBondContact O-N 3.36Å; P167-L223 HydrophobicContact CG-CD2 4.39Å
168N88.3Confident95.7Very high114 Ų11420.4 Ų20.461%0.6113%0.125SC*.THydrogen-bonded Turntrans-81.70.3176.570.2-5.6000113.7L166 S170L166-N168 VanDerWaalsContact CB-OD1 3.25Å; L166-N168 WeakPolarHBondContact CB-OD1 3.16Å; L166-N168 PolarHBondContact O-N 2.93Å; L166-N168 VanDerWaalsContact O-N 3.11Å; N168-S170 VanDerWaalsContact C-N 3.33Å; N168-S170 WeakPolarHBondContact OD1-CB 3.36Å; N168-S170 PolarHBondContact OD1-N 2.79Å; N168-S170 PolarHBondContact OD1-OG 3.33Å
169G88.9Confident95.6Very high30 Ų3024.9 Ų24.931%0.30914%0.143SC..SBendtrans85.1-4.7-17900000115.2L166 P167 F171L166-G169 PolarHBondContact O-N 3.09Å; P167-G169 VanDerWaalsContact C-N 3.26Å; P167-G169 PolarHBondContact O-N 3.36Å; G169-F171 VanDerWaalsContact O-CE2 3.29Å; G169-F171 WeakPolarHBondContact O-CE2 3.41Å
170S93Very high95.5Very high16 Ų1626.1 Ų26.111%0.11215%0.15CC..  trans-73.1157.9170.6-56.60000111L166 N168 V201L166-S170 WeakPolarHBondContact CB-O 3.46Å; L166-S170 PolarHBondContact N-O 2.85Å; N168-S170 VanDerWaalsContact C-N 3.33Å; N168-S170 WeakPolarHBondContact OD1-CB 3.36Å; N168-S170 PolarHBondContact OD1-N 2.79Å; N168-S170 PolarHBondContact OD1-OG 3.33Å; S170-V201 CarbonylContact C-O 3.49Å; S170-V201 WeakPolarHBondContact CA-O 3.29Å
171F95Very high95.3Very high4 Ų427.6 Ų27.62%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-113.6144.1177.4-65.1-99.8000109.8F120 L127 L148 V164 I165 G169 M200 V201 T203F120-F171 HydrophobicContact CD2-CE1 4.43Å; F120-F171 HydrophobicContact CD2-CZ 4.09Å; F120-F171 HydrophobicContact CE2-CZ 4.19Å; L127-F171 HydrophobicContact CD1-CD1 3.71Å; L127-F171 HydrophobicContact CD1-CE1 3.38Å; L127-F171 HydrophobicContact CD1-CZ 4.34Å; L127-F171 HydrophobicContact CD2-CD1 3.67Å; L127-F171 HydrophobicContact CD2-CE1 3.65Å; L127-F171 HydrophobicContact CG-CD1 4.33Å; L127-F171 HydrophobicContact CG-CE1 4.09Å; L148-F171 HydrophobicContact CD1-CE1 4.05Å; L148-F171 HydrophobicContact CD1-CE2 4.43Å; L148-F171 HydrophobicContact CD1-CZ 3.92Å; V164-F171 CarbonylContact O-C 3.48Å; V164-F171 VanDerWaalsContact O-CA 3.25Å; V164-F171 WeakPolarHBondContact O-CA 3.42Å; I165-F171 HydrophobicContact CB-CD1 3.95Å; I165-F171 HydrophobicContact CB-CE1 3.67Å; I165-F171 HydrophobicContact CB-CZ 4.23Å; I165-F171 HydrophobicContact CD1-CE1 3.83Å; I165-F171 HydrophobicContact CD1-CE2 4.17Å; I165-F171 HydrophobicContact CD1-CZ 3.51Å; I165-F171 HydrophobicContact CG1-CD1 4.26Å; I165-F171 HydrophobicContact CG1-CE1 3.8Å; I165-F171 HydrophobicContact CG1-CE2 4.27Å; I165-F171 HydrophobicContact CG1-CZ 3.83Å; G169-F171 VanDerWaalsContact O-CE2 3.29Å; G169-F171 WeakPolarHBondContact O-CE2 3.41Å; F171-M200 CarbonylContact O-C 3.47Å; F171-M200 WeakPolarHBondContact O-CA 3.38Å; F171-V201 PolarHBondContact N-O 2.89Å; F171-V201 PolarHBondContact O-N 3.1Å; F171-T203 HydrophobicContact CD2-CG2 3.3Å; F171-T203 HydrophobicContact CE2-CG2 3.26Å; F171-T203 HydrophobicContact CG-CG2 4.38Å; F171-T203 HydrophobicContact CZ-CG2 4.29Å
172I97.6Very high95.2Very high1 Ų128.8 Ų28.81%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-112.7131.2166.3-59.9176.3000107.8S163 V164 L166 L198 T199 M200 I211 I221 I230 L245S163-I172 CarbonylContact C-O 3.55Å; S163-I172 WeakPolarHBondContact CA-O 3.29Å; S163-I172 WeakPolarHBondContact CB-O 3.26Å; V164-I172 HydrophobicContact CG1-CB 4.19Å; V164-I172 PolarHBondContact N-O 3.27Å; V164-I172 PolarHBondContact O-N 3.02Å; L166-I172 HydrophobicContact CD1-CD1 3.86Å; L166-I172 HydrophobicContact CD1-CG1 4.02Å; L166-I172 HydrophobicContact CD2-CD1 3.96Å; L166-I172 HydrophobicContact CD2-CG1 4.36Å; L166-I172 HydrophobicContact CG-CD1 4.25Å; L166-I172 HydrophobicContact CG-CG1 4.26Å; I172-L198 HydrophobicContact CG2-CB 4.18Å; I172-T199 WeakPolarHBondContact CA-O 3.3Å; I172-M200 HydrophobicContact CG1-CB 4.28Å; I172-M200 HydrophobicContact CG1-CG 4.25Å; I172-I211 HydrophobicContact CD1-CD1 3.63Å; I172-I211 HydrophobicContact CG1-CD1 4.04Å; I172-I211 HydrophobicContact CG2-CD1 3.87Å; I172-I221 HydrophobicContact CB-CD1 3.96Å; I172-I221 HydrophobicContact CG2-CD1 3.57Å; I172-I230 HydrophobicContact CD1-CD1 3.8Å; I172-I230 HydrophobicContact CD1-CG2 4.3Å; I172-I230 HydrophobicContact CG2-CD1 4.08Å; I172-L245 HydrophobicContact CD1-CD2 3.75Å
173I98.3Very high94.8Very high1 Ų132.6 Ų32.61%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-116.4133.9-176.1-54.5163.9000108.6V135 F149 F155 F160 L198 T199 V201V135-I173 HydrophobicContact CG2-CD1 3.57Å; V135-I173 HydrophobicContact CG2-CG1 3.84Å; V135-I173 HydrophobicContact CG2-CG2 4.43Å; F149-I173 HydrophobicContact CE1-CD1 3.9Å; F149-I173 HydrophobicContact CE2-CD1 4.49Å; F149-I173 HydrophobicContact CZ-CD1 3.46Å; F149-I173 VanDerWaalsContact CZ-CD1 3.46Å; F155-I173 HydrophobicContact CZ-CD1 4.38Å; F160-I173 HydrophobicContact CB-CG2 4.17Å; F160-I173 HydrophobicContact CD1-CG2 4.16Å; F160-I173 HydrophobicContact CD2-CG2 3.78Å; F160-I173 HydrophobicContact CE2-CD1 4.12Å; F160-I173 HydrophobicContact CE2-CG2 4.18Å; F160-I173 HydrophobicContact CG-CG2 3.79Å; I173-L198 WeakPolarHBondContact O-CA 3.47Å; I173-T199 PolarHBondContact N-O 3.01Å; I173-T199 PolarHBondContact O-N 3.35Å; I173-V201 HydrophobicContact CD1-CG2 3.7Å
174T98.8Very high94.5Very high0 Ų036.3 Ų36.30%020%0.2CC..EExtended strand (participates in β ladder)trans-86123.6166.253.80000109F160 D161 D162 L198 P218 N219 I221 V232F160-T174 WeakPolarHBondContact CA-O 3.02Å; D161-T174 PolarHBondContact N-O 2.84Å; D162-T174 PolarHBondContact N-OG1 3.33Å; D162-T174 PolarHBondContact O-N 3.41Å; D162-T174 PolarHBondContact O-OG1 3.29Å; D162-T174 VanDerWaalsContact O-OG1 3.06Å; T174-L198 HydrophobicContact CG2-CD2 3.52Å; T174-P218 HydrophobicContact CG2-CB 4.17Å; T174-N219 VanDerWaalsContact CB-O 3.28Å; T174-N219 WeakPolarHBondContact CB-O 3.24Å; T174-N219 VanDerWaalsContact CG2-O 3.26Å; T174-N219 WeakPolarHBondContact CG2-O 3.23Å; T174-N219 PolarHBondContact OG1-O 2.79Å; T174-I221 HydrophobicContact CG2-CB 3.76Å; T174-I221 HydrophobicContact CG2-CD1 4.26Å; T174-I221 HydrophobicContact CG2-CG2 4.03Å; T174-V232 HydrophobicContact CG2-CG1 4.24Å
175E98.2Very high94.3Very high0 Ų038.6 Ų38.60%021%0.211CC..EExtended strand (participates in β ladder)trans-107.2105.1167.9-176.5168.5-155.200107.8T158 F159 F160 S177 T178 G196 R197 P218T158-E175 WeakPolarHBondContact CB-OE1 3Å; T158-E175 PolarHBondContact N-OE1 3.14Å; T158-E175 VanDerWaalsContact N-OE1 3.14Å; T158-E175 PolarHBondContact OG1-OE1 3.05Å; T158-E175 VanDerWaalsContact OG1-OE1 3.07Å; F159-E175 CarbonylContact O-C 3.58Å; F159-E175 WeakPolarHBondContact O-CA 3.21Å; F160-E175 HydrophobicContact CD1-CB 3.99Å; F160-E175 HydrophobicContact CD1-CG 3.94Å; F160-E175 HydrophobicContact CE1-CB 4.24Å; F160-E175 HydrophobicContact CE1-CG 4.18Å; E175-S177 PolarHBondContact O-N 2.76Å; E175-T178 HydrophobicContact CG-CG2 4.43Å; E175-G196 WeakPolarHBondContact O-CA 3.43Å; E175-R197 HydrophobicContact CB-CG 4.07Å; E175-R197 PolarHBondContact N-O 3.23Å; E175-R197 PolarHBondContact O-N 3.03Å; E175-R197 IonicContact OE2-CZ 3.96Å; E175-R197 IonicContact OE2-NE 3.72Å; E175-R197 PolarHBondContact OE2-NE 3.26Å; E175-R197 IonicContact OE2-NH2 3.91Å; E175-R197 PolarHBondContact OE2-NH2 3.2Å; E175-P218 VanDerWaalsContact O-CG 3.3Å; E175-P218 WeakPolarHBondContact O-CG 3.2Å
176A98.5Very high94Very high0 Ų038.3 Ų38.30%021%0.207CC..SBendtrans-57.7-35.7-174.400000111.9F159 D161 F217 P218F159-A176 HydrophobicContact CD1-CB 4.03Å; F159-A176 HydrophobicContact CD2-CB 4.09Å; F159-A176 HydrophobicContact CE1-CB 4.18Å; F159-A176 HydrophobicContact CE2-CB 4.19Å; F159-A176 HydrophobicContact CG-CB 3.98Å; F159-A176 HydrophobicContact CZ-CB 4.24Å; F159-A176 PolarHBondContact O-N 2.84Å; D161-A176 HydrophobicContact CB-CB 4.22Å; A176-F217 HydrophobicContact CB-CD1 3.95Å; A176-F217 HydrophobicContact CB-CD2 4.4Å; A176-F217 HydrophobicContact CB-CE1 3.77Å; A176-F217 HydrophobicContact CB-CE2 4.24Å; A176-F217 HydrophobicContact CB-CG 4.25Å; A176-F217 HydrophobicContact CB-CZ 3.92Å; A176-P218 WeakPolarHBondContact CA-O 3.34Å
177S97.8Very high93.8Very high0 Ų038.3 Ų38.30%021%0.207CC..  trans-155.2131.3175.4-176.90000112.3T158 E175 K179 N180 S195T158-S177 VanDerWaalsContact CB-O 3.25Å; T158-S177 WeakPolarHBondContact CB-O 3.26Å; T158-S177 VanDerWaalsContact CG2-O 3.3Å; T158-S177 WeakPolarHBondContact CG2-O 3.17Å; E175-S177 PolarHBondContact O-N 2.76Å; S177-K179 VanDerWaalsContact C-N 3.27Å; S177-K179 PolarHBondContact OG-N 2.83Å; S177-K179 VanDerWaalsContact OG-N 3.16Å; S177-N180 WeakPolarHBondContact CB-O 3.5Å; S177-N180 PolarHBondContact OG-N 2.61Å; S177-N180 VanDerWaalsContact OG-N 3.16Å; S177-S195 PolarHBondContact OG-OG 2.8Å
178T95.9Very high94Very high54 Ų5433.6 Ų33.633%0.33118%0.176SC..SBendtrans-81.9-1.4169.354.30000113.8E175 S195 R197E175-T178 HydrophobicContact CG-CG2 4.43Å; T178-S195 WeakPolarHBondContact CB-O 3.04Å; T178-S195 VanDerWaalsContact CG2-O 3.32Å; T178-S195 WeakPolarHBondContact CG2-O 3.16Å; T178-S195 PolarHBondContact N-O 2.88Å; T178-S195 PolarHBondContact OG1-O 3.07Å; T178-R197 HydrophobicContact CG2-CG 3.96Å
179K94.3Very high94.1Very high116 Ų11629.7 Ų29.750%0.50416%0.155SC..SBendtrans-110.6-40.6-176.9-70.2-170.5173.9-171.50113.9S177 L193S177-K179 VanDerWaalsContact C-N 3.27Å; S177-K179 PolarHBondContact OG-N 2.83Å; S177-K179 VanDerWaalsContact OG-N 3.16Å; K179-L193 HydrophobicContact CD-CD1 3.84Å
180N94Very high94.1Very high27 Ų2728.8 Ų28.814%0.14414%0.143CC..  trans-126133-167-69.3-38.8000108.7S177 H184 T188 E191S177-N180 WeakPolarHBondContact CB-O 3.5Å; S177-N180 PolarHBondContact OG-N 2.61Å; S177-N180 VanDerWaalsContact OG-N 3.16Å; N180-H184 HydrophobicContact CB-CB 4.05Å; N180-T188 WeakPolarHBondContact CB-OG1 3.26Å; N180-E191 PolarHBondContact ND2-OE2 2.88Å; N180-E191 VanDerWaalsContact ND2-OE2 3.09Å
181T95.5Very high93.9Very high30 Ų3030.3 Ų30.318%0.18415%0.149CC..  trans-75.4167.4175.1670000111.2T158 Q183 H184T158-T181 HydrophobicContact CG2-CG2 4.39Å; T158-T181 WeakPolarHBondContact O-CA 3.05Å; T158-T181 WeakPolarHBondContact O-CG2 3.45Å; T181-Q183 PolarHBondContact O-N 2.97Å; T181-Q183 VanDerWaalsContact O-N 3.14Å; T181-H184 CarbonylContact O-C 3.48Å; T181-H184 WeakPolarHBondContact O-CA 3.19Å; T181-H184 PolarHBondContact O-N 2.93Å; T181-H184 PolarHBondContact OG1-ND1 3.35Å
182L94.8Very high93.7Very high33 Ų3330.1 Ų30.117%0.17315%0.148CC..G310 helixtrans-55-32.2175.1171.467.9000112.9R113 L115 A131 Y132 F159 H184 L185R113-L182 HydrophobicContact CB-CD2 3.96Å; R113-L182 HydrophobicContact CG-CD2 3.34Å; L115-L182 HydrophobicContact CD1-CD2 4.27Å; L115-L182 HydrophobicContact CD2-CD2 4.35Å; A131-L182 HydrophobicContact CB-CB 4.08Å; A131-L182 HydrophobicContact CB-CD2 3.88Å; Y132-L182 HydrophobicContact CE1-CB 4.29Å; Y132-L182 HydrophobicContact CE2-CD2 4.29Å; Y132-L182 WeakPolarHBondContact OH-CB 3.44Å; F159-L182 HydrophobicContact CD1-CB 4.28Å; F159-L182 HydrophobicContact CD2-CB 3.94Å; F159-L182 HydrophobicContact CE1-CB 4.01Å; F159-L182 HydrophobicContact CE1-CD1 4.07Å; F159-L182 HydrophobicContact CE2-CB 3.67Å; F159-L182 HydrophobicContact CE2-CD1 3.75Å; F159-L182 HydrophobicContact CE2-CG 4.2Å; F159-L182 HydrophobicContact CG-CB 4.26Å; F159-L182 HydrophobicContact CZ-CB 3.71Å; F159-L182 HydrophobicContact CZ-CD1 3.3Å; F159-L182 HydrophobicContact CZ-CG 4.08Å; L182-H184 PolarHBondContact O-N 3.01Å; L182-H184 VanDerWaalsContact O-N 3.09Å; L182-L185 HydrophobicContact CD1-CB 4.31Å; L182-L185 HydrophobicContact CD1-CD2 4.33Å; L182-L185 VanDerWaalsContact O-CB 3.25Å; L182-L185 WeakPolarHBondContact O-CB 3.36Å; L182-L185 PolarHBondContact O-N 2.96Å
183Q91.9Very high93.5Very high86 Ų8630.8 Ų30.840%0.40215%0.152SC..G310 helixtrans-56.3-29.4173.5-172.2179.342.400111.5Y132 T181 K312Y132-Q183 PolarHBondContact OH-N 2.92Å; Y132-Q183 VanDerWaalsContact OH-N 3.1Å; T181-Q183 PolarHBondContact O-N 2.97Å; T181-Q183 VanDerWaalsContact O-N 3.14Å; Q183-K312 WeakPolarHBondContact O-CE 3.12Å; Q183-K312 PolarHBondContact O-NZ 3.46Å
184H91.3Very high93.3Very high78 Ų7832.5 Ų32.536%0.36116%0.163SC..G310 helixtrans-100.726.9178.3-58.979.8000112.1N180 T181 L182 W186 T187 T188N180-H184 HydrophobicContact CB-CB 4.05Å; T181-H184 CarbonylContact O-C 3.48Å; T181-H184 WeakPolarHBondContact O-CA 3.19Å; T181-H184 PolarHBondContact O-N 2.93Å; T181-H184 PolarHBondContact OG1-ND1 3.35Å; L182-H184 PolarHBondContact O-N 3.01Å; L182-H184 VanDerWaalsContact O-N 3.09Å; H184-W186 VanDerWaalsContact C-N 3.27Å; H184-W186 PolarHBondContact O-N 3.02Å; H184-W186 VanDerWaalsContact O-N 3.14Å; H184-T187 WeakPolarHBondContact O-CA 3.43Å; H184-T187 VanDerWaalsContact O-CB 3.24Å; H184-T187 WeakPolarHBondContact O-CB 3.34Å; H184-T187 PolarHBondContact O-N 3.08Å; H184-T188 PolarHBondContact O-N 2.81Å; H184-T188 PolarHBondContact O-OG1 3.49Å
185L91.8Very high93.2Very high51 Ų5133.1 Ų33.127%0.26717%0.167SC..Hα-helixtrans-44.5-49.1-179.417660000113.2F159 L182 T187 T188 I189 F217F159-L185 HydrophobicContact CE1-CD1 4.19Å; F159-L185 HydrophobicContact CZ-CD1 4.22Å; L182-L185 HydrophobicContact CD1-CB 4.31Å; L182-L185 HydrophobicContact CD1-CD2 4.33Å; L182-L185 VanDerWaalsContact O-CB 3.25Å; L182-L185 WeakPolarHBondContact O-CB 3.36Å; L182-L185 PolarHBondContact O-N 2.96Å; L185-T187 PolarHBondContact O-N 2.85Å; L185-T188 WeakPolarHBondContact O-CB 3.39Å; L185-T188 PolarHBondContact O-N 3.22Å; L185-T188 VanDerWaalsContact O-N 3.14Å; L185-I189 HydrophobicContact CD1-CD1 3.83Å; L185-I189 HydrophobicContact CD1-CG1 4.16Å; L185-I189 HydrophobicContact CG-CD1 3.88Å; L185-I189 WeakPolarHBondContact O-CG1 3.37Å; L185-I189 PolarHBondContact O-N 2.8Å; L185-F217 HydrophobicContact CD1-CE2 3.58Å; L185-F217 HydrophobicContact CD1-CZ 3.62Å
186W87.9Confident93.2Very high48 Ų4833.2 Ų33.218%0.18217%0.168CC..Hα-helixtrans-64.8-38.2-179.8-77.3117.8000113.8H184 T188 I189 L190 I306 P313 P315H184-W186 VanDerWaalsContact C-N 3.27Å; H184-W186 PolarHBondContact O-N 3.02Å; H184-W186 VanDerWaalsContact O-N 3.14Å; W186-T188 VanDerWaalsContact C-N 3.32Å; W186-I189 HydrophobicContact CE3-CB 4.47Å; W186-I189 HydrophobicContact CE3-CD1 4.3Å; W186-I189 HydrophobicContact CE3-CG2 4.45Å; W186-I189 PolarHBondContact O-N 2.93Å; W186-L190 VanDerWaalsContact O-CB 3.32Å; W186-L190 WeakPolarHBondContact O-CB 3.31Å; W186-L190 VanDerWaalsContact O-CD1 3.3Å; W186-L190 WeakPolarHBondContact O-CD1 3.15Å; W186-L190 WeakPolarHBondContact O-CG 3.25Å; W186-L190 PolarHBondContact O-N 3.06Å; W186-I306 HydrophobicContact CB-CG2 3.89Å; W186-I306 HydrophobicContact CG-CG2 4.45Å; W186-P313 WeakPolarHBondContact CZ2-O 3.47Å; W186-P313 PolarHBondContact NE1-O 2.98Å; W186-P315 HydrophobicContact CH2-CB 3.72Å; W186-P315 HydrophobicContact CH2-CG 3.49Å; W186-P315 VanDerWaalsContact CH2-CG 3.49Å; W186-P315 HydrophobicContact CZ2-CB 3.91Å; W186-P315 HydrophobicContact CZ2-CG 3.39Å
187T90.3Very high93.2Very high11 Ų1135.1 Ų35.17%0.06718%0.175CC..Hα-helixtrans-59.1-47.8171.7-57.90000109.2H184 L185 I189 L190 E191 S303 S307H184-T187 WeakPolarHBondContact O-CA 3.43Å; H184-T187 VanDerWaalsContact O-CB 3.24Å; H184-T187 WeakPolarHBondContact O-CB 3.34Å; H184-T187 PolarHBondContact O-N 3.08Å; L185-T187 PolarHBondContact O-N 2.85Å; T187-I189 PolarHBondContact O-N 2.96Å; T187-L190 PolarHBondContact O-N 3.01Å; T187-E191 HydrophobicContact CG2-CG 4.16Å; T187-E191 VanDerWaalsContact O-CB 3.26Å; T187-E191 WeakPolarHBondContact O-CB 3.26Å; T187-E191 VanDerWaalsContact O-CG 3.22Å; T187-E191 WeakPolarHBondContact O-CG 3.35Å; T187-E191 PolarHBondContact O-N 2.71Å; T187-S303 WeakPolarHBondContact CA-OG 3.23Å; T187-S303 VanDerWaalsContact CG2-OG 3.28Å; T187-S303 WeakPolarHBondContact CG2-OG 3.29Å; T187-S307 PolarHBondContact OG1-OG 3.26Å
188T92.1Very high93.2Very high5 Ų535.1 Ų35.13%0.03118%0.175CC..Hα-helixtrans-57.8-47176.3-50.60000112.5N180 H184 L185 W186 G192 F217N180-T188 WeakPolarHBondContact CB-OG1 3.26Å; H184-T188 PolarHBondContact O-N 2.81Å; H184-T188 PolarHBondContact O-OG1 3.49Å; L185-T188 WeakPolarHBondContact O-CB 3.39Å; L185-T188 PolarHBondContact O-N 3.22Å; L185-T188 VanDerWaalsContact O-N 3.14Å; W186-T188 VanDerWaalsContact C-N 3.32Å; T188-G192 WeakPolarHBondContact O-CA 3.14Å; T188-G192 PolarHBondContact O-N 3.42Å; T188-F217 HydrophobicContact CG2-CD2 3.64Å; T188-F217 HydrophobicContact CG2-CE2 3.88Å
189I90.6Very high93.3Very high33 Ų3332.5 Ų32.517%0.16916%0.159CC..Hα-helixtrans-64.6-46.8-179.5-70171.7000111.1L185 W186 T187 G192 F217 M236L185-I189 HydrophobicContact CD1-CD1 3.83Å; L185-I189 HydrophobicContact CD1-CG1 4.16Å; L185-I189 HydrophobicContact CG-CD1 3.88Å; L185-I189 WeakPolarHBondContact O-CG1 3.37Å; L185-I189 PolarHBondContact O-N 2.8Å; W186-I189 HydrophobicContact CE3-CB 4.47Å; W186-I189 HydrophobicContact CE3-CD1 4.3Å; W186-I189 HydrophobicContact CE3-CG2 4.45Å; W186-I189 PolarHBondContact O-N 2.93Å; T187-I189 PolarHBondContact O-N 2.96Å; I189-G192 PolarHBondContact O-N 3.06Å; I189-F217 HydrophobicContact CG1-CE2 4.43Å; I189-M236 HydrophobicContact CB-SD 4.3Å; I189-M236 HydrophobicContact CG2-CE 4.1Å; I189-M236 HydrophobicContact CG2-SD 4.16Å
190L88.8Confident93.3Very high11 Ų1129.8 Ų29.86%0.05815%0.149CC..Hα-helixtrans-70.1-51.8-176.6-68.3161.9000110.9W186 T187 G192 R299 A302 I306W186-L190 VanDerWaalsContact O-CB 3.32Å; W186-L190 WeakPolarHBondContact O-CB 3.31Å; W186-L190 VanDerWaalsContact O-CD1 3.3Å; W186-L190 WeakPolarHBondContact O-CD1 3.15Å; W186-L190 WeakPolarHBondContact O-CG 3.25Å; W186-L190 PolarHBondContact O-N 3.06Å; T187-L190 PolarHBondContact O-N 3.01Å; L190-G192 PolarHBondContact O-N 2.78Å; L190-R299 WeakPolarHBondContact O-CB 3.48Å; L190-R299 WeakPolarHBondContact O-CD 3.25Å; L190-R299 WeakPolarHBondContact O-CG 3.25Å; L190-R299 PolarHBondContact O-NH1 2.7Å; L190-R299 VanDerWaalsContact O-NH1 3.1Å; L190-A302 HydrophobicContact CD2-CB 4.3Å; L190-I306 HydrophobicContact CD1-CB 4.09Å; L190-I306 HydrophobicContact CD1-CD1 3.35Å; L190-I306 HydrophobicContact CD1-CG1 4.22Å; L190-I306 HydrophobicContact CD1-CG2 4.36Å
191E89.4Confident93.4Very high47 Ų4728.5 Ų28.522%0.2214%0.142CC..Hα-helixtrans-61.9-27.2176.1-64.3-177.916000112.1N180 T187 L193 R299 S303N180-E191 PolarHBondContact ND2-OE2 2.88Å; N180-E191 VanDerWaalsContact ND2-OE2 3.09Å; T187-E191 HydrophobicContact CG2-CG 4.16Å; T187-E191 VanDerWaalsContact O-CB 3.26Å; T187-E191 WeakPolarHBondContact O-CB 3.26Å; T187-E191 VanDerWaalsContact O-CG 3.22Å; T187-E191 WeakPolarHBondContact O-CG 3.35Å; T187-E191 PolarHBondContact O-N 2.71Å; E191-L193 HydrophobicContact CB-CD1 4.25Å; E191-L193 HydrophobicContact CB-CG 3.88Å; E191-L193 PolarHBondContact O-N 2.87Å; E191-R299 PolarHBondContact O-NH1 3.22Å; E191-S303 WeakPolarHBondContact CG-OG 3.35Å
192G90.1Very high93.2Very high1 Ų129.2 Ų29.21%0.0115%0.145CC..  trans44.439.8172.100000112.3Y35 T188 I189 L190 R216Y35-G192 WeakPolarHBondContact CE1-O 3.29Å; T188-G192 WeakPolarHBondContact O-CA 3.14Å; T188-G192 PolarHBondContact O-N 3.42Å; I189-G192 PolarHBondContact O-N 3.06Å; L190-G192 PolarHBondContact O-N 2.78Å; G192-R216 PolarHBondContact O-NH1 3.21Å
193L92.7Very high92.7Very high14 Ų1429.9 Ų29.97%0.07315%0.15CC..  trans-74.6155.1-172.7-65.9178.4000111Y33 K179 E191 S195Y33-L193 HydrophobicContact CD1-CD2 3.58Å; Y33-L193 HydrophobicContact CD2-CD2 3.64Å; Y33-L193 HydrophobicContact CE1-CD2 3.64Å; Y33-L193 HydrophobicContact CE2-CD2 3.69Å; Y33-L193 HydrophobicContact CG-CD2 3.58Å; K179-L193 HydrophobicContact CD-CD1 3.84Å; E191-L193 HydrophobicContact CB-CD1 4.25Å; E191-L193 HydrophobicContact CB-CG 3.88Å; E191-L193 PolarHBondContact O-N 2.87Å; L193-S195 PolarHBondContact O-N 3.36Å
194P95.4Very high92.3Very high37 Ų3735.6 Ų35.624%0.2417%0.168CC..SBendtrans-81.757.1173.236.1-29.3000109.1G214 L215 R216P194-G214 VanDerWaalsContact CB-O 3.24Å; P194-G214 WeakPolarHBondContact CB-O 3.1Å; P194-G214 WeakPolarHBondContact O-CA 3.4Å; P194-L215 CarbonylContact C-O 3.32Å; P194-L215 WeakPolarHBondContact CA-O 3.39Å; P194-R216 HydrophobicContact CB-CG 4.15Å; P194-R216 VanDerWaalsContact N-NH1 3.19Å
195S95.8Very high92.2Very high14 Ų1434.8 Ų34.810%0.09817%0.169CC..  trans-105-0.2-174.156.40000113.5S177 T178 L193 L215S177-S195 PolarHBondContact OG-OG 2.8Å; T178-S195 WeakPolarHBondContact CB-O 3.04Å; T178-S195 VanDerWaalsContact CG2-O 3.32Å; T178-S195 WeakPolarHBondContact CG2-O 3.16Å; T178-S195 PolarHBondContact N-O 2.88Å; T178-S195 PolarHBondContact OG1-O 3.07Å; L193-S195 PolarHBondContact O-N 3.36Å; S195-L215 PolarHBondContact N-O 3.44Å
196G98.1Very high91.9Very high1 Ų133.2 Ų33.21%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-85.5157175.400000112E175 G214 L215E175-G196 WeakPolarHBondContact O-CA 3.43Å; G196-G214 PolarHBondContact O-N 3.43Å; G196-L215 WeakPolarHBondContact CA-O 3.39Å; G196-L215 PolarHBondContact N-O 3.46Å; G196-L215 PolarHBondContact O-N 2.99Å
197R98.1Very high92.1Very high40 Ų4037.4 Ų37.415%0.15119%0.186CC..EExtended strand (participates in β ladder)trans-152.9167.3-176.963.9179.1177.7-173.1-1.1112.8E175 T178 H210 M212 D213E175-R197 HydrophobicContact CB-CG 4.07Å; E175-R197 PolarHBondContact N-O 3.23Å; E175-R197 PolarHBondContact O-N 3.03Å; E175-R197 IonicContact OE2-CZ 3.96Å; E175-R197 IonicContact OE2-NE 3.72Å; E175-R197 PolarHBondContact OE2-NE 3.26Å; E175-R197 IonicContact OE2-NH2 3.91Å; E175-R197 PolarHBondContact OE2-NH2 3.2Å; T178-R197 HydrophobicContact CG2-CG 3.96Å; R197-H210 PolarHBondContact NH1-CE1 3.48Å; R197-H210 PolarHBondContact NH1-NE2 2.77Å; R197-M212 CarbonylContact C-O 3.45Å; R197-M212 WeakPolarHBondContact CA-O 3.32Å; R197-M212 VanDerWaalsContact CB-O 3.25Å; R197-M212 WeakPolarHBondContact CB-O 3.24Å; R197-D213 WeakPolarHBondContact CB-OD1 3.27Å; R197-D213 WeakPolarHBondContact CD-OD1 3.28Å
198L98.5Very high92.3Very high0 Ų040.5 Ų40.50%020%0.197CC..EExtended strand (participates in β ladder)trans-111.3129.1169.9-55.3-177.6000109.4I172 I173 T174 H210 I211 M212 L215 P218 I230 V232 I243I172-L198 HydrophobicContact CG2-CB 4.18Å; I173-L198 WeakPolarHBondContact O-CA 3.47Å; T174-L198 HydrophobicContact CG2-CD2 3.52Å; L198-H210 WeakPolarHBondContact O-CA 3.35Å; L198-I211 HydrophobicContact CB-CD1 4.11Å; L198-I211 HydrophobicContact CB-CG1 3.64Å; L198-I211 PolarHBondContact O-N 3.04Å; L198-M212 HydrophobicContact CB-CB 4.16Å; L198-M212 HydrophobicContact CD1-CB 4.01Å; L198-M212 HydrophobicContact CD1-SD 4.31Å; L198-M212 HydrophobicContact CG-CB 4.11Å; L198-M212 PolarHBondContact N-O 2.88Å; L198-L215 HydrophobicContact CD1-CD1 4.3Å; L198-L215 HydrophobicContact CD2-CD1 4.1Å; L198-L215 HydrophobicContact CG-CD1 3.82Å; L198-P218 HydrophobicContact CD2-CB 4.27Å; L198-I230 HydrophobicContact CD1-CD1 4.08Å; L198-V232 HydrophobicContact CD1-CG2 3.92Å; L198-V232 HydrophobicContact CD2-CG1 4.2Å; L198-V232 HydrophobicContact CD2-CG2 4.18Å; L198-I243 HydrophobicContact CD1-CD1 3.32Å
199T97.2Very high92.4Very high0 Ų042.8 Ų42.80%021%0.214CC..EExtended strand (participates in β ladder)trans-118.6122.1176.9-56.50000109.7F155 I172 I173 V201 Y208 H210F155-T199 HydrophobicContact CE2-CG2 3.84Å; F155-T199 HydrophobicContact CZ-CG2 3.81Å; I172-T199 WeakPolarHBondContact CA-O 3.3Å; I173-T199 PolarHBondContact N-O 3.01Å; I173-T199 PolarHBondContact O-N 3.35Å; T199-V201 HydrophobicContact CG2-CG2 4.09Å; T199-Y208 HydrophobicContact CG2-CD2 3.91Å; T199-Y208 HydrophobicContact CG2-CG 4.33Å; T199-H210 PolarHBondContact OG1-ND1 2.85Å
200M95.8Very high92.6Very high59 Ų5944.6 Ų44.629%0.29122%0.221SC..EExtended strand (participates in β ladder)trans-87.9135.9170.2-174167.663.500109.5L166 F171 I172 Y208 S209 I211L166-M200 HydrophobicContact CD1-SD 4.18Å; F171-M200 CarbonylContact O-C 3.47Å; F171-M200 WeakPolarHBondContact O-CA 3.38Å; I172-M200 HydrophobicContact CG1-CB 4.28Å; I172-M200 HydrophobicContact CG1-CG 4.25Å; M200-Y208 CarbonylContact O-C 3.27Å; M200-Y208 WeakPolarHBondContact O-CA 3.44Å; M200-Y208 WeakPolarHBondContact O-CB 3.25Å; M200-S209 PolarHBondContact N-O 2.96Å; M200-S209 PolarHBondContact O-N 2.97Å; M200-I211 HydrophobicContact CB-CD1 4.49Å; M200-I211 HydrophobicContact CB-CG2 3.63Å; M200-I211 HydrophobicContact CE-CG2 4.17Å
201V95.5Very high92.9Very high0 Ų047.3 Ų47.30%024%0.235CC..EExtended strand (participates in β ladder)trans-131.8130-178.1-170.90000110.2F149 F155 S170 F171 I173 T199 Q207F149-V201 HydrophobicContact CB-CG1 4.24Å; F149-V201 HydrophobicContact CD1-CB 4.39Å; F149-V201 HydrophobicContact CD1-CG1 3.69Å; F149-V201 HydrophobicContact CD2-CG1 4.38Å; F149-V201 HydrophobicContact CE1-CB 4.35Å; F149-V201 HydrophobicContact CE1-CG1 4.09Å; F149-V201 HydrophobicContact CE1-CG2 4.32Å; F149-V201 HydrophobicContact CG-CG1 3.85Å; F149-V201 HydrophobicContact CZ-CG2 4.36Å; F155-V201 HydrophobicContact CE1-CG2 3.99Å; F155-V201 HydrophobicContact CZ-CG2 4.04Å; S170-V201 CarbonylContact C-O 3.49Å; S170-V201 WeakPolarHBondContact CA-O 3.29Å; F171-V201 PolarHBondContact N-O 2.89Å; F171-V201 PolarHBondContact O-N 3.1Å; I173-V201 HydrophobicContact CD1-CG2 3.7Å; T199-V201 HydrophobicContact CG2-CG2 4.09Å; V201-Q207 WeakPolarHBondContact CA-O 3.12Å
202D91.2Very high93.3Very high45 Ų4547.2 Ų47.224%0.24124%0.235CC..  trans-88.4110.9166.1174.7-4.2000108.9R204 T205 G206 Q207D202-R204 VanDerWaalsContact C-N 3.27Å; D202-R204 PolarHBondContact O-N 3.33Å; D202-R204 VanDerWaalsContact OD1-CB 3.28Å; D202-R204 WeakPolarHBondContact OD1-CB 3.22Å; D202-R204 PolarHBondContact OD1-N 2.97Å; D202-R204 IonicContact OD2-NH2 3.62Å; D202-T205 WeakPolarHBondContact CB-OG1 3.48Å; D202-T205 PolarHBondContact O-N 3.21Å; D202-T205 PolarHBondContact OD1-N 3.26Å; D202-T205 WeakPolarHBondContact OD2-CG2 3.34Å; D202-T205 PolarHBondContact OD2-OG1 2.81Å; D202-G206 VanDerWaalsContact O-CA 3.29Å; D202-G206 WeakPolarHBondContact O-CA 3.45Å; D202-G206 PolarHBondContact O-N 2.67Å; D202-Q207 PolarHBondContact N-O 3.31Å
203T83.7Confident93.6Very high46 Ų4651.8 Ų51.828%0.28226%0.26SS..THydrogen-bonded Turntrans-71-19.1-178.346.90000114.3L148 F149 F171L148-T203 HydrophobicContact CB-CG2 4.08Å; F149-T203 HydrophobicContact CD1-CG2 4.25Å; F171-T203 HydrophobicContact CD2-CG2 3.3Å; F171-T203 HydrophobicContact CE2-CG2 3.26Å; F171-T203 HydrophobicContact CG-CG2 4.38Å; F171-T203 HydrophobicContact CZ-CG2 4.29Å
204R85Confident93.8Very high207 Ų20753.1 Ų53.178%0.78128%0.277SS*.THydrogen-bonded Turntrans-74.9-34.5176.6-175-175.561.691.56111.1D202D202-R204 VanDerWaalsContact C-N 3.27Å; D202-R204 PolarHBondContact O-N 3.33Å; D202-R204 VanDerWaalsContact OD1-CB 3.28Å; D202-R204 WeakPolarHBondContact OD1-CB 3.22Å; D202-R204 PolarHBondContact OD1-N 2.97Å; D202-R204 IonicContact OD2-NH2 3.62Å
205T88.1Confident93.9Very high60 Ų6051.5 Ų51.537%0.36827%0.266SS..THydrogen-bonded Turntrans-109-17.5-174.662.50000113.7D202 Q207D202-T205 WeakPolarHBondContact CB-OG1 3.48Å; D202-T205 PolarHBondContact O-N 3.21Å; D202-T205 PolarHBondContact OD1-N 3.26Å; D202-T205 WeakPolarHBondContact OD2-CG2 3.34Å; D202-T205 PolarHBondContact OD2-OG1 2.81Å; T205-Q207 PolarHBondContact O-N 3.05Å; T205-Q207 WeakPolarHBondContact OG1-CB 3.28Å; T205-Q207 WeakPolarHBondContact OG1-CG 3.42Å; T205-Q207 PolarHBondContact OG1-N 3.1Å
206G85.9Confident93.9Very high18 Ų1851.8 Ų51.819%0.18627%0.265CS..  trans71.52.6-170.400000113.8D202D202-G206 VanDerWaalsContact O-CA 3.29Å; D202-G206 WeakPolarHBondContact O-CA 3.45Å; D202-G206 PolarHBondContact O-N 2.67Å
207Q91.5Very high93.9Very high137 Ų13752.2 Ų52.264%0.6427%0.267SS*.  trans-71142.2178.2-65.7-62.3-54.100110.4V201 D202 T205V201-Q207 WeakPolarHBondContact CA-O 3.12Å; D202-Q207 PolarHBondContact N-O 3.31Å; T205-Q207 PolarHBondContact O-N 3.05Å; T205-Q207 WeakPolarHBondContact OG1-CB 3.28Å; T205-Q207 WeakPolarHBondContact OG1-CG 3.42Å; T205-Q207 PolarHBondContact OG1-N 3.1Å
208Y94.4Very high93.9Very high75 Ų7550.3 Ų50.329%0.29426%0.259SS..EExtended strand (participates in β ladder)trans-136.9155.5179.869.3-85.5000111.8N154 F155 T199 M200 H210N154-Y208 PolarHBondContact O-OH 3.47Å; F155-Y208 HydrophobicContact CB-CD1 4.04Å; F155-Y208 HydrophobicContact CB-CE1 3.48Å; F155-Y208 VanDerWaalsContact CB-CE1 3.48Å; F155-Y208 HydrophobicContact CB-CE2 4.22Å; F155-Y208 AromaticContact CD1-CD1 3.86Å; F155-Y208 HydrophobicContact CD1-CD1 3.86Å; F155-Y208 HydrophobicContact CD1-CE1 4.2Å; F155-Y208 HydrophobicContact CD1-CG 4.1Å; F155-Y208 HydrophobicContact CD2-CD2 4.1Å; F155-Y208 HydrophobicContact CD2-CE2 4.02Å; F155-Y208 HydrophobicContact CD2-CG 4.39Å; F155-Y208 HydrophobicContact CE1-CD1 4.46Å; F155-Y208 HydrophobicContact CE1-CG 4.31Å; F155-Y208 HydrophobicContact CE2-CD2 4.37Å; F155-Y208 AromaticContact CG-CD1 3.94Å; F155-Y208 HydrophobicContact CG-CD1 3.94Å; F155-Y208 HydrophobicContact CG-CD2 4.25Å; F155-Y208 AromaticContact CG-CE1 3.86Å; F155-Y208 HydrophobicContact CG-CE1 3.86Å; F155-Y208 HydrophobicContact CG-CE2 4.16Å; F155-Y208 HydrophobicContact CG-CG 4.15Å; F155-Y208 AromaticContact CG-CZ 3.96Å; T199-Y208 HydrophobicContact CG2-CD2 3.91Å; T199-Y208 HydrophobicContact CG2-CG 4.33Å; M200-Y208 CarbonylContact O-C 3.27Å; M200-Y208 WeakPolarHBondContact O-CA 3.44Å; M200-Y208 WeakPolarHBondContact O-CB 3.25Å; Y208-H210 AromaticContact CE2-CE1 3.88Å; Y208-H210 AromaticContact CE2-NE2 3.92Å
209S94.6Very high93.9Very high54 Ų5450.5 Ų50.538%0.37826%0.26SS..EExtended strand (participates in β ladder)trans-143.5134.5174.359.90000110.1M200 I211M200-S209 PolarHBondContact N-O 2.96Å; M200-S209 PolarHBondContact O-N 2.97Å; S209-I211 PolarHBondContact O-N 3.24Å
210H95.4Very high94Very high71 Ų7150.5 Ų50.533%0.32926%0.26SS..EExtended strand (participates in β ladder)trans-72.4116.2169-52.8-48.6000108.3R197 L198 T199 Y208R197-H210 PolarHBondContact NH1-CE1 3.48Å; R197-H210 PolarHBondContact NH1-NE2 2.77Å; L198-H210 WeakPolarHBondContact O-CA 3.35Å; T199-H210 PolarHBondContact OG1-ND1 2.85Å; Y208-H210 AromaticContact CE2-CE1 3.88Å; Y208-H210 AromaticContact CE2-NE2 3.92Å
211I95.5Very high94.1Very high67 Ų6747.7 Ų47.734%0.34425%0.246SC..EExtended strand (participates in β ladder)trans-95.6-17.6-176.763171.4000111.9I172 L198 M200 S209I172-I211 HydrophobicContact CD1-CD1 3.63Å; I172-I211 HydrophobicContact CG1-CD1 4.04Å; I172-I211 HydrophobicContact CG2-CD1 3.87Å; L198-I211 HydrophobicContact CB-CD1 4.11Å; L198-I211 HydrophobicContact CB-CG1 3.64Å; L198-I211 PolarHBondContact O-N 3.04Å; M200-I211 HydrophobicContact CB-CD1 4.49Å; M200-I211 HydrophobicContact CB-CG2 3.63Å; M200-I211 HydrophobicContact CE-CG2 4.17Å; S209-I211 PolarHBondContact O-N 3.24Å
212M97.1Very high94.3Very high46 Ų4649 Ų4923%0.22725%0.253CS..EExtended strand (participates in β ladder)trans-158133.7175.5-168.5174-17000109.7R197 L198 L215 L241 I243 V250R197-M212 CarbonylContact C-O 3.45Å; R197-M212 WeakPolarHBondContact CA-O 3.32Å; R197-M212 VanDerWaalsContact CB-O 3.25Å; R197-M212 WeakPolarHBondContact CB-O 3.24Å; L198-M212 HydrophobicContact CB-CB 4.16Å; L198-M212 HydrophobicContact CD1-CB 4.01Å; L198-M212 HydrophobicContact CD1-SD 4.31Å; L198-M212 HydrophobicContact CG-CB 4.11Å; L198-M212 PolarHBondContact N-O 2.88Å; M212-L215 HydrophobicContact CE-CD2 3.66Å; M212-L215 HydrophobicContact CE-CG 4.42Å; M212-L215 HydrophobicContact CG-CD1 4.26Å; M212-L215 HydrophobicContact CG-CG 4.34Å; M212-L215 HydrophobicContact SD-CD1 4.02Å; M212-L215 HydrophobicContact SD-CD2 3.95Å; M212-L215 HydrophobicContact SD-CG 4.25Å; M212-L241 HydrophobicContact CE-CD1 4.21Å; M212-I243 HydrophobicContact SD-CD1 3.57Å; M212-I243 VanDerWaalsContact SD-CD1 3.57Å; M212-I243 HydrophobicContact SD-CG1 4.3Å; M212-V250 HydrophobicContact CE-CG1 4.23Å; M212-V250 HydrophobicContact CE-CG2 4.34Å
213D96.4Very high94.6Very high97 Ų9748.6 Ų48.652%0.51925%0.25SS..EExtended strand (participates in β ladder)trans-124.3173.7175.3-67.5-57.2000110.2R197 L215R197-D213 WeakPolarHBondContact CB-OD1 3.27Å; R197-D213 WeakPolarHBondContact CD-OD1 3.28Å; D213-L215 VanDerWaalsContact C-N 3.33Å; D213-L215 PolarHBondContact O-N 2.84Å
214G96Very high95.2Very high42 Ų4246.8 Ų46.843%0.43324%0.239SC..EExtended strand (participates in β ladder)trans80.614173.600000114.2P194 G196P194-G214 VanDerWaalsContact CB-O 3.24Å; P194-G214 WeakPolarHBondContact CB-O 3.1Å; P194-G214 WeakPolarHBondContact O-CA 3.4Å; G196-G214 PolarHBondContact O-N 3.43Å
215L97.8Very high95.5Very high3 Ų341.9 Ų41.92%0.01623%0.228CC..EExtended strand (participates in β ladder)trans-78.4146.7176-64.5173.9000110.3P194 S195 G196 L198 M212 D213 P218 L241P194-L215 CarbonylContact C-O 3.32Å; P194-L215 WeakPolarHBondContact CA-O 3.39Å; S195-L215 PolarHBondContact N-O 3.44Å; G196-L215 WeakPolarHBondContact CA-O 3.39Å; G196-L215 PolarHBondContact N-O 3.46Å; G196-L215 PolarHBondContact O-N 2.99Å; L198-L215 HydrophobicContact CD1-CD1 4.3Å; L198-L215 HydrophobicContact CD2-CD1 4.1Å; L198-L215 HydrophobicContact CG-CD1 3.82Å; M212-L215 HydrophobicContact CE-CD2 3.66Å; M212-L215 HydrophobicContact CE-CG 4.42Å; M212-L215 HydrophobicContact CG-CD1 4.26Å; M212-L215 HydrophobicContact CG-CG 4.34Å; M212-L215 HydrophobicContact SD-CD1 4.02Å; M212-L215 HydrophobicContact SD-CD2 3.95Å; M212-L215 HydrophobicContact SD-CG 4.25Å; D213-L215 VanDerWaalsContact C-N 3.33Å; D213-L215 PolarHBondContact O-N 2.84Å; L215-P218 HydrophobicContact CB-CB 4.21Å; L215-P218 HydrophobicContact CB-CG 3.99Å; L215-P218 HydrophobicContact CD1-CB 3.82Å; L215-P218 HydrophobicContact CD1-CG 4.13Å; L215-L241 HydrophobicContact CD2-CD1 3.67Å
216R97.1Very high95.6Very high19 Ų1942.8 Ų42.87%0.07223%0.231CC..SBendtrans-100.491.8174.8-57.8-173.8-174.9-80.4-2.4109.6S32 I34 Y35 G192 P194 E234 M236 K237S32-R216 PolarHBondContact O-NH2 2.8Å; I34-R216 PolarHBondContact O-NH2 2.78Å; Y35-R216 VanDerWaalsContact CB-NE 3.31Å; G192-R216 PolarHBondContact O-NH1 3.21Å; P194-R216 HydrophobicContact CB-CG 4.15Å; P194-R216 VanDerWaalsContact N-NH1 3.19Å; R216-E234 HydrophobicContact CB-CG 4.5Å; R216-E234 PolarHBondContact N-OE1 2.72Å; R216-E234 VanDerWaalsContact O-CG 3.31Å; R216-E234 WeakPolarHBondContact O-CG 3.11Å; R216-M236 HydrophobicContact CB-CB 3.64Å; R216-M236 HydrophobicContact CB-CG 4.25Å; R216-M236 WeakPolarHBondContact O-CB 3.24Å; R216-M236 PolarHBondContact O-N 3.27Å; R216-K237 HydrophobicContact CB-CG 4.3Å
217F97.8Very high96Very high11 Ų1143 Ų435%0.04823%0.233CC..  trans62.268.1-179-150.7-65000111.9F159 A176 L185 T188 I189 N219 T235 M236F159-F217 HydrophobicContact CE1-CE2 4.06Å; F159-F217 AromaticContact CE1-CZ 3.96Å; F159-F217 HydrophobicContact CE1-CZ 3.96Å; F159-F217 HydrophobicContact CZ-CE2 4.36Å; F159-F217 AromaticContact CZ-CZ 3.79Å; F159-F217 HydrophobicContact CZ-CZ 3.79Å; A176-F217 HydrophobicContact CB-CD1 3.95Å; A176-F217 HydrophobicContact CB-CD2 4.4Å; A176-F217 HydrophobicContact CB-CE1 3.77Å; A176-F217 HydrophobicContact CB-CE2 4.24Å; A176-F217 HydrophobicContact CB-CG 4.25Å; A176-F217 HydrophobicContact CB-CZ 3.92Å; L185-F217 HydrophobicContact CD1-CE2 3.58Å; L185-F217 HydrophobicContact CD1-CZ 3.62Å; T188-F217 HydrophobicContact CG2-CD2 3.64Å; T188-F217 HydrophobicContact CG2-CE2 3.88Å; I189-F217 HydrophobicContact CG1-CE2 4.43Å; F217-N219 HydrophobicContact CD1-CB 4.2Å; F217-N219 HydrophobicContact CE1-CB 4.43Å; F217-N219 WeakPolarHBondContact CE1-ND2 3.48Å; F217-N219 PolarHBondContact O-N 2.91Å; F217-T235 PolarHBondContact O-N 2.89Å; F217-M236 HydrophobicContact CB-CG 3.59Å; F217-M236 HydrophobicContact CG-CG 4.47Å
218P98.6Very high96.2Very high0 Ų043.5 Ų43.50%023%0.233CC..EExtended strand (participates in β ladder)trans-64.3128.6164.329.9-33.3000109T174 E175 A176 L198 L215 V232 V233T174-P218 HydrophobicContact CG2-CB 4.17Å; E175-P218 VanDerWaalsContact O-CG 3.3Å; E175-P218 WeakPolarHBondContact O-CG 3.2Å; A176-P218 WeakPolarHBondContact CA-O 3.34Å; L198-P218 HydrophobicContact CD2-CB 4.27Å; L215-P218 HydrophobicContact CB-CB 4.21Å; L215-P218 HydrophobicContact CB-CG 3.99Å; L215-P218 HydrophobicContact CD1-CB 3.82Å; L215-P218 HydrophobicContact CD1-CG 4.13Å; P218-V232 HydrophobicContact CB-CG1 3.93Å; P218-V233 WeakPolarHBondContact CA-O 3.46Å
219N98.3Very high96.3Very high3 Ų340.1 Ų40.12%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-120.8-115.7-167.5-164.9-59.8000108.9D161 T174 F217 V233 T235 D262D161-N219 VanDerWaalsContact OD1-CA 3.28Å; D161-N219 WeakPolarHBondContact OD1-CA 3.37Å; D161-N219 VanDerWaalsContact OD1-CG 3.27Å; D161-N219 PolarHBondContact OD1-OD1 3.38Å; T174-N219 VanDerWaalsContact CB-O 3.28Å; T174-N219 WeakPolarHBondContact CB-O 3.24Å; T174-N219 VanDerWaalsContact CG2-O 3.26Å; T174-N219 WeakPolarHBondContact CG2-O 3.23Å; T174-N219 PolarHBondContact OG1-O 2.79Å; F217-N219 HydrophobicContact CD1-CB 4.2Å; F217-N219 HydrophobicContact CE1-CB 4.43Å; F217-N219 WeakPolarHBondContact CE1-ND2 3.48Å; F217-N219 PolarHBondContact O-N 2.91Å; N219-V233 HydrophobicContact CB-CB 4.31Å; N219-V233 HydrophobicContact CB-CG1 4.29Å; N219-V233 PolarHBondContact N-O 2.7Å; N219-T235 VanDerWaalsContact CB-OG1 3.27Å; N219-T235 WeakPolarHBondContact CB-OG1 3.31Å; N219-T235 PolarHBondContact ND2-OG1 3.14Å; N219-T235 VanDerWaalsContact ND2-OG1 3.1Å; N219-D262 VanDerWaalsContact CG-OD1 3.32Å; N219-D262 PolarHBondContact ND2-OD1 3.04Å; N219-D262 VanDerWaalsContact OD1-C 3.23Å; N219-D262 PolarHBondContact OD1-O 3.2Å; N219-D262 PolarHBondContact OD1-OD1 2.89Å
220G98.5Very high96.5Very high0 Ų037.5 Ų37.50%020%0.202CC..EExtended strand (participates in β ladder)trans-54.9141.4170.500000113.8V233 D262G220-V233 PolarHBondContact O-N 2.77Å; G220-D262 PolarHBondContact N-O 3.02Å
221I98.8Very high96.6Very high0 Ų034.1 Ų34.10%019%0.187CC..EExtended strand (participates in β ladder)trans-130.3140.1174.2-178.8168.1000109.3K118 D162 V164 I172 T174 I230 L231 V232K118-I221 PolarHBondContact NZ-O 3.28Å; D162-I221 HydrophobicContact CB-CG2 3.94Å; D162-I221 PolarHBondContact OD2-N 2.66Å; V164-I221 HydrophobicContact CB-CG1 4.34Å; V164-I221 HydrophobicContact CB-CG2 4.35Å; V164-I221 HydrophobicContact CG1-CD1 3.7Å; V164-I221 HydrophobicContact CG1-CG1 3.85Å; I172-I221 HydrophobicContact CB-CD1 3.96Å; I172-I221 HydrophobicContact CG2-CD1 3.57Å; T174-I221 HydrophobicContact CG2-CB 3.76Å; T174-I221 HydrophobicContact CG2-CD1 4.26Å; T174-I221 HydrophobicContact CG2-CG2 4.03Å; I221-I230 HydrophobicContact CD1-CB 4.42Å; I221-I230 HydrophobicContact CD1-CD1 3.68Å; I221-I230 HydrophobicContact CG1-CB 4.33Å; I221-I230 HydrophobicContact CG1-CD1 4.39Å; I221-L231 CarbonylContact C-O 3.6Å; I221-L231 VanDerWaalsContact CA-O 3.25Å; I221-L231 WeakPolarHBondContact CA-O 2.9Å; I221-V232 HydrophobicContact CB-CG2 4.42Å; I221-V232 HydrophobicContact CD1-CG2 4.06Å; I221-V232 HydrophobicContact CG1-CG2 3.98Å
222E98.1Very high96.8Very high29 Ų2931 Ų3114%0.13617%0.17CC..EExtended strand (participates in β ladder)trans-140.8143.6174.5-170.963.2-7000112.1K118 I230 L231 I264 A266 Y272K118-E222 IonicContact NZ-OE1 2.7Å; K118-E222 PolarHBondContact NZ-OE1 2.72Å; K118-E222 IonicContact NZ-OE2 2.81Å; E222-I230 CarbonylContact O-C 3.49Å; E222-I230 VanDerWaalsContact O-CA 3.3Å; E222-I230 WeakPolarHBondContact O-CA 2.91Å; E222-L231 PolarHBondContact N-O 2.98Å; E222-L231 PolarHBondContact O-N 2.73Å; E222-I264 HydrophobicContact CB-CG1 4.39Å; E222-I264 HydrophobicContact CB-CG2 3.94Å; E222-A266 HydrophobicContact CG-CB 4.5Å; E222-A266 PolarHBondContact OE2-N 3.27Å; E222-Y272 HydrophobicContact CG-CD1 4.2Å; E222-Y272 HydrophobicContact CG-CE1 4.29Å
223L97.3Very high96.9Very high36 Ų3628.8 Ų28.819%0.18816%0.16CC..EExtended strand (participates in β ladder)trans-79.4128.8173-177.165.9000108.8V164 L166 P167 I230 L245V164-L223 HydrophobicContact CG2-CB 3.71Å; L166-L223 HydrophobicContact CD2-CD1 4.14Å; P167-L223 HydrophobicContact CG-CD2 4.39Å; L223-I230 HydrophobicContact CD1-CG2 4.06Å; L223-L245 HydrophobicContact CD1-CD1 4.02Å
224C96.6Very high97Very high7 Ų724.4 Ų24.45%0.04714%0.136CC..  trans-62149.9172.8-66.50000110.7D226 G227 S229 Y272C224-D226 WeakPolarHBondContact CB-OD1 3.36Å; C224-D226 PolarHBondContact O-N 2.93Å; C224-G227 PolarHBondContact O-N 3.09Å; C224-S229 VanDerWaalsContact CB-O 3.29Å; C224-S229 WeakPolarHBondContact CB-O 3.43Å; C224-S229 PolarHBondContact N-O 3Å; C224-S229 PolarHBondContact SG-O 3.35Å; C224-S229 VanDerWaalsContact SG-O 3.4Å; C224-S229 PolarHBondContact SG-OG 2.82Å; C224-Y272 WeakPolarHBondContact CA-OH 3.19Å
225N91.1Very high97.1Very high104 Ų10422.9 Ų22.956%0.55612%0.119SC*.THydrogen-bonded Turntrans-56.2-26.7-178.9-71.2-34.5000114.1G227 Y272 E327N225-G227 VanDerWaalsContact C-N 3.28Å; N225-G227 PolarHBondContact O-N 2.93Å; N225-Y272 PolarHBondContact N-OH 3.16Å; N225-E327 PolarHBondContact ND2-OE1 2.72Å; N225-E327 VanDerWaalsContact ND2-OE1 3.07Å
226D90.9Very high96.9Very high80 Ų8023 Ų2343%0.42812%0.119SC..THydrogen-bonded Turntrans-78-9.917766.36.8000114.1C224 K228 R242C224-D226 WeakPolarHBondContact CB-OD1 3.36Å; C224-D226 PolarHBondContact O-N 2.93Å; D226-K228 HydrophobicContact CB-CG 4.4Å; D226-K228 PolarHBondContact O-N 3.12Å; D226-K228 PolarHBondContact OD1-N 3.39Å; D226-R242 IonicContact OD2-NH2 3.11Å; D226-R242 PolarHBondContact OD2-NH2 3.02Å
227G93.9Very high96.9Very high22 Ų2224.1 Ų24.123%0.22712%0.124CC..SBendtrans67.313.4-177.300000114.7C224 N225 L245C224-G227 PolarHBondContact O-N 3.09Å; N225-G227 VanDerWaalsContact C-N 3.28Å; N225-G227 PolarHBondContact O-N 2.93Å; G227-L245 WeakPolarHBondContact O-CD1 3.33Å
228K95.7Very high96.8Very high148 Ų14823.6 Ų23.664%0.64312%0.122SC*.SBendtrans-103-19.3-174.1-64.8-179.8-179.2179.60114D226 L245D226-K228 HydrophobicContact CB-CG 4.4Å; D226-K228 PolarHBondContact O-N 3.12Å; D226-K228 PolarHBondContact OD1-N 3.39Å; K228-L245 WeakPolarHBondContact O-CB 3.36Å; K228-L245 PolarHBondContact O-N 3.26Å
229S97.2Very high96.8Very high3 Ų326.1 Ų26.12%0.02113%0.132CC..EExtended strand (participates in β ladder)trans-144.5157.8-179.653.70000111.2C224 R242 I243C224-S229 VanDerWaalsContact CB-O 3.29Å; C224-S229 WeakPolarHBondContact CB-O 3.43Å; C224-S229 PolarHBondContact N-O 3Å; C224-S229 PolarHBondContact SG-O 3.35Å; C224-S229 VanDerWaalsContact SG-O 3.4Å; C224-S229 PolarHBondContact SG-OG 2.82Å; S229-R242 PolarHBondContact OG-NE 3.47Å; S229-R242 PolarHBondContact OG-NH2 2.79Å; S229-I243 CarbonylContact C-O 3.45Å; S229-I243 WeakPolarHBondContact CA-O 3.49Å; S229-I243 VanDerWaalsContact CB-O 3.26Å; S229-I243 WeakPolarHBondContact CB-O 3.36Å
230I98.3Very high96.8Very high0 Ų026 Ų260%013%0.131CC..EExtended strand (participates in β ladder)trans-105150.5167.556.9170.3000110.1V164 L166 I172 L198 I221 E222 L223 V232 R242 I243 L245V164-I230 HydrophobicContact CG1-CG2 4.04Å; L166-I230 HydrophobicContact CD2-CG2 4.25Å; I172-I230 HydrophobicContact CD1-CD1 3.8Å; I172-I230 HydrophobicContact CD1-CG2 4.3Å; I172-I230 HydrophobicContact CG2-CD1 4.08Å; L198-I230 HydrophobicContact CD1-CD1 4.08Å; I221-I230 HydrophobicContact CD1-CB 4.42Å; I221-I230 HydrophobicContact CD1-CD1 3.68Å; I221-I230 HydrophobicContact CG1-CB 4.33Å; I221-I230 HydrophobicContact CG1-CD1 4.39Å; E222-I230 CarbonylContact O-C 3.49Å; E222-I230 VanDerWaalsContact O-CA 3.3Å; E222-I230 WeakPolarHBondContact O-CA 2.91Å; L223-I230 HydrophobicContact CD1-CG2 4.06Å; I230-V232 HydrophobicContact CD1-CG2 3.94Å; I230-V232 HydrophobicContact CG1-CG2 4.36Å; I230-R242 WeakPolarHBondContact O-CA 3.18Å; I230-I243 HydrophobicContact CD1-CB 4.29Å; I230-I243 HydrophobicContact CD1-CD1 4.25Å; I230-I243 HydrophobicContact CG1-CB 3.8Å; I230-I243 HydrophobicContact CG1-CD1 4.48Å; I230-I243 HydrophobicContact CG1-CG2 4.43Å; I230-I243 PolarHBondContact N-O 3.07Å; I230-I243 PolarHBondContact O-N 2.93Å; I230-L245 HydrophobicContact CG2-CD2 4.07Å
231L98.8Very high96.8Very high0 Ų026.2 Ų26.20%013%0.132CC..EExtended strand (participates in β ladder)trans-99.8134.7165.4-59.1-177000108.9I221 E222 V240 L241 R242 F253 I264 Y272I221-L231 CarbonylContact C-O 3.6Å; I221-L231 VanDerWaalsContact CA-O 3.25Å; I221-L231 WeakPolarHBondContact CA-O 2.9Å; E222-L231 PolarHBondContact N-O 2.98Å; E222-L231 PolarHBondContact O-N 2.73Å; L231-V240 HydrophobicContact CB-CG1 3.98Å; L231-L241 CarbonylContact C-O 3.55Å; L231-L241 VanDerWaalsContact CA-O 3.25Å; L231-L241 WeakPolarHBondContact CA-O 3.28Å; L231-R242 HydrophobicContact CD2-CB 3.84Å; L231-R242 HydrophobicContact CD2-CG 4.03Å; L231-F253 HydrophobicContact CD1-CD1 4.01Å; L231-F253 HydrophobicContact CD1-CE1 3.66Å; L231-F253 HydrophobicContact CD1-CZ 3.93Å; L231-F253 HydrophobicContact CD2-CB 4.15Å; L231-F253 HydrophobicContact CD2-CD1 3.94Å; L231-F253 HydrophobicContact CD2-CD2 3.81Å; L231-F253 HydrophobicContact CD2-CE1 4.24Å; L231-F253 HydrophobicContact CD2-CE2 4.11Å; L231-F253 HydrophobicContact CD2-CG 3.71Å; L231-F253 HydrophobicContact CD2-CZ 4.31Å; L231-I264 HydrophobicContact CB-CD1 3.9Å; L231-I264 HydrophobicContact CD1-CD1 3.74Å; L231-I264 HydrophobicContact CG-CD1 4.49Å; L231-Y272 HydrophobicContact CD1-CD1 3.79Å; L231-Y272 HydrophobicContact CD1-CD2 3.57Å; L231-Y272 HydrophobicContact CD1-CE1 3.81Å; L231-Y272 HydrophobicContact CD1-CE2 3.62Å; L231-Y272 HydrophobicContact CD1-CG 3.69Å
232V98.9Very high96.8Very high0 Ų029.9 Ų29.90%015%0.146CC..EExtended strand (participates in β ladder)trans-129.3125.1177.3176.70000109.1T174 L198 P218 I221 I230 V240 L241 I243T174-V232 HydrophobicContact CG2-CG1 4.24Å; L198-V232 HydrophobicContact CD1-CG2 3.92Å; L198-V232 HydrophobicContact CD2-CG1 4.2Å; L198-V232 HydrophobicContact CD2-CG2 4.18Å; P218-V232 HydrophobicContact CB-CG1 3.93Å; I221-V232 HydrophobicContact CB-CG2 4.42Å; I221-V232 HydrophobicContact CD1-CG2 4.06Å; I221-V232 HydrophobicContact CG1-CG2 3.98Å; I230-V232 HydrophobicContact CD1-CG2 3.94Å; I230-V232 HydrophobicContact CG1-CG2 4.36Å; V232-V240 CarbonylContact O-C 3.57Å; V232-V240 WeakPolarHBondContact O-CA 2.89Å; V232-L241 PolarHBondContact N-O 2.88Å; V232-L241 PolarHBondContact O-N 3Å; V232-I243 HydrophobicContact CB-CD1 4.39Å; V232-I243 HydrophobicContact CG2-CD1 3.91Å
233V98.9Very high96.8Very high0 Ų029.2 Ų29.20%014%0.143CC..EExtended strand (participates in β ladder)trans-76.1123.5171.31770000108.8P218 N219 G220 V240 P261 D262 I264P218-V233 WeakPolarHBondContact CA-O 3.46Å; N219-V233 HydrophobicContact CB-CB 4.31Å; N219-V233 HydrophobicContact CB-CG1 4.29Å; N219-V233 PolarHBondContact N-O 2.7Å; G220-V233 PolarHBondContact O-N 2.77Å; V233-V240 HydrophobicContact CG2-CG2 4.22Å; V233-P261 HydrophobicContact CG1-CB 3.52Å; V233-P261 HydrophobicContact CG1-CG 3.45Å; V233-P261 VanDerWaalsContact CG1-CG 3.45Å; V233-D262 VanDerWaalsContact CB-O 3.24Å; V233-D262 WeakPolarHBondContact CB-O 3Å; V233-D262 VanDerWaalsContact CG1-O 3.26Å; V233-D262 WeakPolarHBondContact CG1-O 3.49Å; V233-D262 VanDerWaalsContact CG2-O 3.29Å; V233-D262 WeakPolarHBondContact CG2-O 3.13Å; V233-I264 HydrophobicContact CG2-CB 3.81Å; V233-I264 HydrophobicContact CG2-CG2 3.79Å
234E98.4Very high96.8Very high5 Ų529 Ų292%0.02314%0.144CC..EExtended strand (participates in β ladder)trans-106.888.9171.6-168.9-178.2-16900108.7R216 M236 K237 L238 R239R216-E234 HydrophobicContact CB-CG 4.5Å; R216-E234 PolarHBondContact N-OE1 2.72Å; R216-E234 VanDerWaalsContact O-CG 3.31Å; R216-E234 WeakPolarHBondContact O-CG 3.11Å; E234-M236 VanDerWaalsContact C-N 3.31Å; E234-M236 PolarHBondContact O-N 2.86Å; E234-K237 HydrophobicContact CB-CB 4.18Å; E234-K237 HydrophobicContact CG-CB 3.8Å; E234-K237 HydrophobicContact CG-CG 3.94Å; E234-K237 CarbonylContact O-C 3.59Å; E234-K237 PolarHBondContact O-N 2.85Å; E234-K237 WeakPolarHBondContact OE1-CG 3.45Å; E234-K237 WeakPolarHBondContact OE2-CB 3.3Å; E234-K237 WeakPolarHBondContact OE2-CG 3.34Å; E234-L238 PolarHBondContact O-N 3.07Å; E234-R239 HydrophobicContact CB-CG 4.21Å; E234-R239 PolarHBondContact N-O 2.83Å; E234-R239 IonicContact OE2-CZ 3.55Å; E234-R239 IonicContact OE2-NE 2.85Å; E234-R239 PolarHBondContact OE2-NE 2.95Å; E234-R239 IonicContact OE2-NH2 2.79Å; E234-R239 PolarHBondContact OE2-NH2 2.72Å
235T97.3Very high96.7Very high11 Ų1131.6 Ų31.67%0.06716%0.157CC..G310 helixtrans-53.9-45.2-167.4-61.80000112.2F217 N219 K237 L238 Y260 P261F217-T235 PolarHBondContact O-N 2.89Å; N219-T235 VanDerWaalsContact CB-OG1 3.27Å; N219-T235 WeakPolarHBondContact CB-OG1 3.31Å; N219-T235 PolarHBondContact ND2-OG1 3.14Å; N219-T235 VanDerWaalsContact ND2-OG1 3.1Å; T235-K237 VanDerWaalsContact C-N 3.25Å; T235-K237 PolarHBondContact O-N 3Å; T235-L238 WeakPolarHBondContact O-CD2 3.12Å; T235-L238 PolarHBondContact O-N 3.1Å; T235-Y260 HydrophobicContact CG2-CD1 3.66Å; T235-Y260 HydrophobicContact CG2-CG 4.01Å; T235-P261 WeakPolarHBondContact CB-O 3.45Å; T235-P261 WeakPolarHBondContact CG2-O 3.32Å; T235-P261 PolarHBondContact OG1-O 2.9Å
236M95.2Very high96.8Very high4 Ų433.3 Ų33.32%0.0217%0.166CC..G310 helixtrans-75.7-17.3-176.3-60.3-91.153.700113.6Y35 V37 I189 R216 F217 E234 Y260Y35-M236 VanDerWaalsContact CE2-O 3.28Å; Y35-M236 WeakPolarHBondContact CE2-O 3.49Å; V37-M236 WeakPolarHBondContact CG1-O 3.37Å; I189-M236 HydrophobicContact CB-SD 4.3Å; I189-M236 HydrophobicContact CG2-CE 4.1Å; I189-M236 HydrophobicContact CG2-SD 4.16Å; R216-M236 HydrophobicContact CB-CB 3.64Å; R216-M236 HydrophobicContact CB-CG 4.25Å; R216-M236 WeakPolarHBondContact O-CB 3.24Å; R216-M236 PolarHBondContact O-N 3.27Å; F217-M236 HydrophobicContact CB-CG 3.59Å; F217-M236 HydrophobicContact CG-CG 4.47Å; E234-M236 VanDerWaalsContact C-N 3.31Å; E234-M236 PolarHBondContact O-N 2.86Å; M236-Y260 HydrophobicContact CE-CD1 4.03Å; M236-Y260 HydrophobicContact CE-CE1 3.09Å
237K96.1Very high96.9Very high43 Ų4332.9 Ų32.919%0.18718%0.181CC..G310 helixtrans-95.7-4175.2-72.4-71.9-63.2-172.80112.8Y35 H36 R216 E234 T235 R239Y35-K237 HydrophobicContact CD2-CD 3.89Å; H36-K237 PolarHBondContact O-NZ 2.81Å; R216-K237 HydrophobicContact CB-CG 4.3Å; E234-K237 HydrophobicContact CB-CB 4.18Å; E234-K237 HydrophobicContact CG-CB 3.8Å; E234-K237 HydrophobicContact CG-CG 3.94Å; E234-K237 CarbonylContact O-C 3.59Å; E234-K237 PolarHBondContact O-N 2.85Å; E234-K237 WeakPolarHBondContact OE1-CG 3.45Å; E234-K237 WeakPolarHBondContact OE2-CB 3.3Å; E234-K237 WeakPolarHBondContact OE2-CG 3.34Å; T235-K237 VanDerWaalsContact C-N 3.25Å; T235-K237 PolarHBondContact O-N 3Å; K237-R239 HydrophobicContact CB-CG 3.77Å; K237-R239 PolarHBondContact O-N 2.89Å
238L96.7Very high97Very high0 Ų033.6 Ų33.60%019%0.187CC..THydrogen-bonded Turntrans56.943.2173.8-45.3171.1000110.7V37 E234 T235 G256 L257 G259 Y260 L289V37-L238 HydrophobicContact CB-CD1 3.82Å; V37-L238 HydrophobicContact CB-CG 4.43Å; V37-L238 HydrophobicContact CG1-CD1 3.73Å; V37-L238 HydrophobicContact CG1-CG 4.03Å; V37-L238 HydrophobicContact CG2-CD1 3.92Å; E234-L238 PolarHBondContact O-N 3.07Å; T235-L238 WeakPolarHBondContact O-CD2 3.12Å; T235-L238 PolarHBondContact O-N 3.1Å; L238-G256 PolarHBondContact O-N 3.34Å; L238-L257 WeakPolarHBondContact O-CB 3.44Å; L238-L257 WeakPolarHBondContact O-CG 3.13Å; L238-L257 PolarHBondContact O-N 3.31Å; L238-G259 WeakPolarHBondContact CD2-O 3.21Å; L238-Y260 HydrophobicContact CD2-CD1 3.5Å; L238-Y260 HydrophobicContact CD2-CE1 3.91Å; L238-Y260 HydrophobicContact CD2-CG 4.41Å; L238-L289 HydrophobicContact CD1-CB 4.25Å; L238-L289 HydrophobicContact CD1-CD2 3.8Å; L238-L289 HydrophobicContact CD2-CD2 3.72Å; L238-L289 HydrophobicContact CG-CD2 4.4Å
239R98.1Very high97Very high54 Ų5434.4 Ų34.420%0.20419%0.194CC..EExtended strand (participates in β ladder)trans-147.9164.5-17470.8-178.9178.5167.33.9111.6E234 K237 V252 S254E234-R239 HydrophobicContact CB-CG 4.21Å; E234-R239 PolarHBondContact N-O 2.83Å; E234-R239 IonicContact OE2-CZ 3.55Å; E234-R239 IonicContact OE2-NE 2.85Å; E234-R239 PolarHBondContact OE2-NE 2.95Å; E234-R239 IonicContact OE2-NH2 2.79Å; E234-R239 PolarHBondContact OE2-NH2 2.72Å; K237-R239 HydrophobicContact CB-CG 3.77Å; K237-R239 PolarHBondContact O-N 2.89Å; R239-V252 HydrophobicContact CB-CG1 4.33Å; R239-S254 CarbonylContact C-O 3.6Å; R239-S254 WeakPolarHBondContact CA-O 2.88Å; R239-S254 WeakPolarHBondContact CB-O 3.45Å
240V98.8Very high97.1Very high0 Ų037 Ų370%021%0.209CC..EExtended strand (participates in β ladder)trans-114131.2167.6-173.90000107.7L231 V232 V233 F253 S254 L257 I264 L325L231-V240 HydrophobicContact CB-CG1 3.98Å; V232-V240 CarbonylContact O-C 3.57Å; V232-V240 WeakPolarHBondContact O-CA 2.89Å; V233-V240 HydrophobicContact CG2-CG2 4.22Å; V240-F253 HydrophobicContact CB-CB 4.21Å; V240-F253 HydrophobicContact CB-CD1 4.23Å; V240-F253 HydrophobicContact CG1-CB 4.15Å; V240-F253 HydrophobicContact CG1-CD1 3.96Å; V240-F253 HydrophobicContact CG1-CG 4.46Å; V240-F253 WeakPolarHBondContact O-CB 3.37Å; V240-F253 PolarHBondContact O-N 2.6Å; V240-S254 PolarHBondContact N-O 3.21Å; V240-S254 PolarHBondContact O-N 2.92Å; V240-L257 HydrophobicContact CG2-CD1 4.17Å; V240-I264 HydrophobicContact CG1-CD1 4.02Å; V240-L325 HydrophobicContact CG2-CD1 4.19Å
241L98.7Very high97Very high4 Ų440 Ų402%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-97.5145173.9-64.6177.5000110M212 L215 L231 V232 I243 V250 T251 V252M212-L241 HydrophobicContact CE-CD1 4.21Å; L215-L241 HydrophobicContact CD2-CD1 3.67Å; L231-L241 CarbonylContact C-O 3.55Å; L231-L241 VanDerWaalsContact CA-O 3.25Å; L231-L241 WeakPolarHBondContact CA-O 3.28Å; V232-L241 PolarHBondContact N-O 2.88Å; V232-L241 PolarHBondContact O-N 3Å; L241-I243 HydrophobicContact CB-CG1 4.46Å; L241-V250 HydrophobicContact CB-CG1 4.29Å; L241-V250 HydrophobicContact CD1-CG1 4.45Å; L241-V250 HydrophobicContact CD2-CG1 4.32Å; L241-T251 WeakPolarHBondContact CA-O 3.37Å; L241-V252 HydrophobicContact CD2-CG2 4.16Å
242R98.5Very high97Very high77 Ų7743.1 Ų43.129%0.29125%0.246SC..EExtended strand (participates in β ladder)trans-108122.7166-178.3178-172.3178.75.1108.8D226 S229 I230 L231 T251 F253D226-R242 IonicContact OD2-NH2 3.11Å; D226-R242 PolarHBondContact OD2-NH2 3.02Å; S229-R242 PolarHBondContact OG-NE 3.47Å; S229-R242 PolarHBondContact OG-NH2 2.79Å; I230-R242 WeakPolarHBondContact O-CA 3.18Å; L231-R242 HydrophobicContact CD2-CB 3.84Å; L231-R242 HydrophobicContact CD2-CG 4.03Å; R242-T251 PolarHBondContact N-O 3.38Å; R242-T251 PolarHBondContact O-N 3.05Å; R242-F253 HydrophobicContact CB-CB 4.13Å; R242-F253 HydrophobicContact CB-CD2 4.34Å
243I97.9Very high97Very high15 Ų1543.9 Ų43.98%0.07725%0.25CS..EExtended strand (participates in β ladder)trans-118.8111.9-175.6-57168.2000108.3L198 M212 S229 I230 V232 L241 V250L198-I243 HydrophobicContact CD1-CD1 3.32Å; M212-I243 HydrophobicContact SD-CD1 3.57Å; M212-I243 VanDerWaalsContact SD-CD1 3.57Å; M212-I243 HydrophobicContact SD-CG1 4.3Å; S229-I243 CarbonylContact C-O 3.45Å; S229-I243 WeakPolarHBondContact CA-O 3.49Å; S229-I243 VanDerWaalsContact CB-O 3.26Å; S229-I243 WeakPolarHBondContact CB-O 3.36Å; I230-I243 HydrophobicContact CD1-CB 4.29Å; I230-I243 HydrophobicContact CD1-CD1 4.25Å; I230-I243 HydrophobicContact CG1-CB 3.8Å; I230-I243 HydrophobicContact CG1-CD1 4.48Å; I230-I243 HydrophobicContact CG1-CG2 4.43Å; I230-I243 PolarHBondContact N-O 3.07Å; I230-I243 PolarHBondContact O-N 2.93Å; V232-I243 HydrophobicContact CB-CD1 4.39Å; V232-I243 HydrophobicContact CG2-CD1 3.91Å; L241-I243 HydrophobicContact CB-CG1 4.46Å; I243-V250 HydrophobicContact CB-CG2 4.43Å; I243-V250 HydrophobicContact CG1-CG1 3.87Å; I243-V250 HydrophobicContact CG1-CG2 4.03Å; I243-V250 HydrophobicContact CG2-CG2 4.16Å
244P96.8Very high97Very high31 Ų3144.2 Ų44.220%0.20125%0.252CS..EExtended strand (participates in β ladder)trans-63.8136.7174.1-22.435000112.1D246 G247 E249P244-D246 VanDerWaalsContact C-N 3.27Å; P244-D246 WeakPolarHBondContact CB-OD1 3.37Å; P244-D246 PolarHBondContact O-N 3.41Å; P244-G247 PolarHBondContact O-N 3.32Å; P244-E249 WeakPolarHBondContact CD-O 3.15Å; P244-E249 WeakPolarHBondContact CG-O 3.47Å
245L94.9Very high96.9Very high63 Ų6346 Ų4633%0.3326%0.262SS..THydrogen-bonded Turntrans-76.5-14.6-179.3-67.2175.5000113.4L166 I172 L223 G227 K228 I230 G247L166-L245 HydrophobicContact CD1-CD2 4.09Å; L166-L245 HydrophobicContact CD2-CD1 3.9Å; L166-L245 HydrophobicContact CD2-CD2 3.91Å; I172-L245 HydrophobicContact CD1-CD2 3.75Å; L223-L245 HydrophobicContact CD1-CD1 4.02Å; G227-L245 WeakPolarHBondContact O-CD1 3.33Å; K228-L245 WeakPolarHBondContact O-CB 3.36Å; K228-L245 PolarHBondContact O-N 3.26Å; I230-L245 HydrophobicContact CG2-CD2 4.07Å; L245-G247 VanDerWaalsContact C-N 3.28Å
246D93.8Very high96.9Very high140 Ų14045.5 Ų45.575%0.74926%0.259SS*.THydrogen-bonded Turntrans-85.83175.763.7-3.5000113.3P244 G248P244-D246 VanDerWaalsContact C-N 3.27Å; P244-D246 WeakPolarHBondContact CB-OD1 3.37Å; P244-D246 PolarHBondContact O-N 3.41Å; D246-G248 PolarHBondContact OD1-N 2.92Å
247G92Very high96.9Very high71 Ų7145.3 Ų45.373%0.73226%0.258SS*.SBendtrans82.513.9-177.900000114.3P244 L245P244-G247 PolarHBondContact O-N 3.32Å; L245-G247 VanDerWaalsContact C-N 3.28Å
248G95.1Very high96.8Very high36 Ų3643.5 Ų43.537%0.37125%0.251SS..  trans-62.2-180171.700000114.4D246 V250D246-G248 PolarHBondContact OD1-N 2.92Å; G248-V250 PolarHBondContact O-N 3.02Å
249E97.1Very high96.6Very high165 Ų16543.5 Ų43.577%0.77125%0.251SS*.  trans-64.8129.9-177.7-173.6179.3-176.100112.3P244 T251P244-E249 WeakPolarHBondContact CD-O 3.15Å; P244-E249 WeakPolarHBondContact CG-O 3.47Å; E249-T251 PolarHBondContact O-N 2.97Å
250V98Very high96.4Very high57 Ų5742.5 Ų42.535%0.34525%0.247SC..  trans-72125.61721790000109.5M212 L241 I243 G248M212-V250 HydrophobicContact CE-CG1 4.23Å; M212-V250 HydrophobicContact CE-CG2 4.34Å; L241-V250 HydrophobicContact CB-CG1 4.29Å; L241-V250 HydrophobicContact CD1-CG1 4.45Å; L241-V250 HydrophobicContact CD2-CG1 4.32Å; I243-V250 HydrophobicContact CB-CG2 4.43Å; I243-V250 HydrophobicContact CG1-CG1 3.87Å; I243-V250 HydrophobicContact CG1-CG2 4.03Å; I243-V250 HydrophobicContact CG2-CG2 4.16Å; G248-V250 PolarHBondContact O-N 3.02Å
251T98.2Very high96.4Very high64 Ų6442.5 Ų42.539%0.39325%0.247SC..EExtended strand (participates in β ladder)trans-113.9156.5179.9540000111.2L241 R242 E249 F253L241-T251 WeakPolarHBondContact CA-O 3.37Å; R242-T251 PolarHBondContact N-O 3.38Å; R242-T251 PolarHBondContact O-N 3.05Å; E249-T251 PolarHBondContact O-N 2.97Å; T251-F253 PolarHBondContact O-N 2.69Å
252V98.2Very high96.3Very high65 Ų6542.9 Ų42.939%0.39425%0.249SC..EExtended strand (participates in β ladder)trans-84.3114.5171.7-174.40000108.2R239 L241 D255R239-V252 HydrophobicContact CB-CG1 4.33Å; L241-V252 HydrophobicContact CD2-CG2 4.16Å; V252-D255 HydrophobicContact CG1-CB 3.58Å
253F98.2Very high96.3Very high17 Ų1739.2 Ų39.28%0.07524%0.235CC..EExtended strand (participates in β ladder)trans-75.9-50.3-179.8-173.2-111.9000111L231 V240 R242 T251 Y272 L325 D326 E327 G329L231-F253 HydrophobicContact CD1-CD1 4.01Å; L231-F253 HydrophobicContact CD1-CE1 3.66Å; L231-F253 HydrophobicContact CD1-CZ 3.93Å; L231-F253 HydrophobicContact CD2-CB 4.15Å; L231-F253 HydrophobicContact CD2-CD1 3.94Å; L231-F253 HydrophobicContact CD2-CD2 3.81Å; L231-F253 HydrophobicContact CD2-CE1 4.24Å; L231-F253 HydrophobicContact CD2-CE2 4.11Å; L231-F253 HydrophobicContact CD2-CG 3.71Å; L231-F253 HydrophobicContact CD2-CZ 4.31Å; V240-F253 HydrophobicContact CB-CB 4.21Å; V240-F253 HydrophobicContact CB-CD1 4.23Å; V240-F253 HydrophobicContact CG1-CB 4.15Å; V240-F253 HydrophobicContact CG1-CD1 3.96Å; V240-F253 HydrophobicContact CG1-CG 4.46Å; V240-F253 WeakPolarHBondContact O-CB 3.37Å; V240-F253 PolarHBondContact O-N 2.6Å; R242-F253 HydrophobicContact CB-CB 4.13Å; R242-F253 HydrophobicContact CB-CD2 4.34Å; T251-F253 PolarHBondContact O-N 2.69Å; F253-Y272 HydrophobicContact CE1-CD2 4.03Å; F253-Y272 HydrophobicContact CE1-CE2 4.42Å; F253-Y272 AromaticContact CZ-CD2 3.96Å; F253-Y272 HydrophobicContact CZ-CD2 3.96Å; F253-Y272 AromaticContact CZ-CE2 3.94Å; F253-Y272 HydrophobicContact CZ-CE2 3.94Å; F253-L325 HydrophobicContact CD1-CD1 4.19Å; F253-L325 HydrophobicContact CE1-CB 4.3Å; F253-L325 HydrophobicContact CE1-CD1 4.08Å; F253-D326 VanDerWaalsContact CZ-O 3.25Å; F253-D326 WeakPolarHBondContact CZ-O 3.32Å; F253-E327 VanDerWaalsContact CE2-O 3.29Å; F253-E327 WeakPolarHBondContact CE2-O 3.17Å; F253-G329 VanDerWaalsContact CZ-N 3.31Å; F253-G329 WeakPolarHBondContact O-CA 3.45Å
254S98.3Very high96.4Very high7 Ų738.6 Ų38.65%0.04923%0.232CC..EExtended strand (participates in β ladder)trans-140.7139.2175.9-160.70000108.9R239 V240 G329R239-S254 CarbonylContact C-O 3.6Å; R239-S254 WeakPolarHBondContact CA-O 2.88Å; R239-S254 WeakPolarHBondContact CB-O 3.45Å; V240-S254 PolarHBondContact N-O 3.21Å; V240-S254 PolarHBondContact O-N 2.92Å; S254-G329 VanDerWaalsContact CB-O 3.27Å; S254-G329 WeakPolarHBondContact CB-O 3.28Å; S254-G329 PolarHBondContact OG-O 3.32Å
255D97.4Very high96.4Very high42 Ų4238 Ų3823%0.22523%0.226CC..  trans-139.9153.3-170-158.8-0.1000111.9K38 I41 V252 L257K38-D255 HydrophobicContact CD-CB 3.88Å; K38-D255 VanDerWaalsContact CD-CG 3.47Å; K38-D255 WeakPolarHBondContact CD-OD2 3.43Å; I41-D255 WeakPolarHBondContact CD1-O 3.3Å; I41-D255 VanDerWaalsContact CG1-O 3.26Å; I41-D255 WeakPolarHBondContact CG1-O 3.42Å; V252-D255 HydrophobicContact CG1-CB 3.58Å; D255-L257 VanDerWaalsContact C-N 3.32Å
256G96Very high96.5Very high0 Ų036.8 Ų36.80%023%0.225CC..SBendtrans68.233.8178.700000112.6P39 S40 I41 L238P39-G256 WeakPolarHBondContact O-CA 3.34Å; S40-G256 CarbonylContact C-O 3.59Å; S40-G256 WeakPolarHBondContact CA-O 3.22Å; I41-G256 WeakPolarHBondContact CG1-O 3.39Å; I41-G256 PolarHBondContact N-O 2.93Å; L238-G256 PolarHBondContact O-N 3.34Å
257L96.5Very high96.6Very high0 Ų030.4 Ų30.40%019%0.192CC..  trans-59.1147.9179.1-65177.1000111.4L238 V240 D255 G259 P261 R280 I323L238-L257 WeakPolarHBondContact O-CB 3.44Å; L238-L257 WeakPolarHBondContact O-CG 3.13Å; L238-L257 PolarHBondContact O-N 3.31Å; V240-L257 HydrophobicContact CG2-CD1 4.17Å; D255-L257 VanDerWaalsContact C-N 3.32Å; L257-G259 PolarHBondContact O-N 2.81Å; L257-P261 HydrophobicContact CD1-CB 3.69Å; L257-P261 HydrophobicContact CD1-CG 3.83Å; L257-R280 PolarHBondContact O-NE 3.29Å; L257-R280 VanDerWaalsContact O-NE 3.14Å; L257-R280 PolarHBondContact O-NH2 3Å; L257-I323 HydrophobicContact CD2-CD1 3.61Å
258P93.1Very high96.8Very high6 Ų631.7 Ų31.74%0.03919%0.187CC..SBendtrans-740.1-166.229.2-35.8000114.8L43 V276 L279 R280 M321L43-P258 HydrophobicContact CD1-CB 4.32Å; L43-P258 HydrophobicContact CD1-CG 4.48Å; L43-P258 HydrophobicContact CD2-CG 4.29Å; P258-V276 HydrophobicContact CG-CG1 4.14Å; P258-L279 CarbonylContact O-C 3.54Å; P258-L279 VanDerWaalsContact O-CA 3.29Å; P258-L279 WeakPolarHBondContact O-CA 3.37Å; P258-R280 WeakPolarHBondContact O-CG 3.35Å; P258-R280 PolarHBondContact O-N 3.44Å; P258-M321 HydrophobicContact CB-CE 4.07Å; P258-M321 HydrophobicContact CB-SD 4.47Å; P258-M321 HydrophobicContact CG-CE 3.73Å; P258-M321 HydrophobicContact CG-SD 3.52Å; P258-M321 VanDerWaalsContact CG-SD 3.52Å
259G93.8Very high96.7Very high0 Ų034.3 Ų34.30%019%0.186CC..SBendtrans-170.9-163.4179.700000109.6L238 L257 P261 V276L238-G259 WeakPolarHBondContact CD2-O 3.21Å; L257-G259 PolarHBondContact O-N 2.81Å; G259-P261 WeakPolarHBondContact O-CD 3.16Å; G259-V276 VanDerWaalsContact C-CG1 3.42Å; G259-V276 VanDerWaalsContact CA-CG1 3.44Å; G259-V276 VanDerWaalsContact N-CG1 3.32Å
260Y94Very high96.7Very high32 Ų3227.8 Ų27.813%0.12516%0.163CC..EExtended strand (participates in β ladder)trans-72111173.9-71-50.1000110.8T235 M236 L238 V276 S277 N278 L289T235-Y260 HydrophobicContact CG2-CD1 3.66Å; T235-Y260 HydrophobicContact CG2-CG 4.01Å; M236-Y260 HydrophobicContact CE-CD1 4.03Å; M236-Y260 HydrophobicContact CE-CE1 3.09Å; L238-Y260 HydrophobicContact CD2-CD1 3.5Å; L238-Y260 HydrophobicContact CD2-CE1 3.91Å; L238-Y260 HydrophobicContact CD2-CG 4.41Å; Y260-V276 WeakPolarHBondContact O-CA 3.38Å; Y260-S277 PolarHBondContact N-O 2.83Å; Y260-S277 PolarHBondContact O-N 3.49Å; Y260-N278 HydrophobicContact CD2-CB 3.84Å; Y260-N278 HydrophobicContact CE2-CB 4.27Å; Y260-L289 HydrophobicContact CD1-CD2 3.74Å; Y260-L289 HydrophobicContact CD2-CD2 4.38Å; Y260-L289 HydrophobicContact CE1-CD2 3.09Å; Y260-L289 HydrophobicContact CE1-CG 4.44Å; Y260-L289 HydrophobicContact CE2-CD2 3.87Å; Y260-L289 HydrophobicContact CG-CD2 4.32Å; Y260-L289 WeakPolarHBondContact OH-CD2 3.29Å
261P97.6Very high96.6Very high0 Ų025.1 Ų25.10%015%0.147CC..EExtended strand (participates in β ladder)trans-73.3152.7165.536.5-37.8000109.9V233 T235 L257 G259 V274 P275V233-P261 HydrophobicContact CG1-CB 3.52Å; V233-P261 HydrophobicContact CG1-CG 3.45Å; V233-P261 VanDerWaalsContact CG1-CG 3.45Å; T235-P261 WeakPolarHBondContact CB-O 3.45Å; T235-P261 WeakPolarHBondContact CG2-O 3.32Å; T235-P261 PolarHBondContact OG1-O 2.9Å; L257-P261 HydrophobicContact CD1-CB 3.69Å; L257-P261 HydrophobicContact CD1-CG 3.83Å; G259-P261 WeakPolarHBondContact O-CD 3.16Å; P261-V274 HydrophobicContact CB-CG1 3.68Å; P261-P275 WeakPolarHBondContact CA-O 3.37Å
262D97.7Very high96.7Very high12 Ų1222.1 Ų22.16%0.06413%0.128CC..  trans-129.6-110.1-173.8-156.143.8000110.8N219 G220 V233 P275 C346 F360N219-D262 VanDerWaalsContact CG-OD1 3.32Å; N219-D262 PolarHBondContact ND2-OD1 3.04Å; N219-D262 VanDerWaalsContact OD1-C 3.23Å; N219-D262 PolarHBondContact OD1-O 3.2Å; N219-D262 PolarHBondContact OD1-OD1 2.89Å; G220-D262 PolarHBondContact N-O 3.02Å; V233-D262 VanDerWaalsContact CB-O 3.24Å; V233-D262 WeakPolarHBondContact CB-O 3Å; V233-D262 VanDerWaalsContact CG1-O 3.26Å; V233-D262 WeakPolarHBondContact CG1-O 3.49Å; V233-D262 VanDerWaalsContact CG2-O 3.29Å; V233-D262 WeakPolarHBondContact CG2-O 3.13Å; D262-P275 HydrophobicContact CB-CG 4.3Å; D262-P275 PolarHBondContact N-O 3.3Å; D262-C346 WeakPolarHBondContact OD2-CA 3.19Å; D262-C346 WeakPolarHBondContact OD2-CB 3.44Å; D262-F360 VanDerWaalsContact CG-CZ 3.49Å; D262-F360 WeakPolarHBondContact OD2-CE1 3.37Å; D262-F360 WeakPolarHBondContact OD2-CZ 3.39Å
263N98.2Very high96.7Very high1 Ų119 Ų191%0.00511%0.11CC..  trans-69.2165.7173.7-72.7-38.7000113.6E68 P275 C346E68-N263 PolarHBondContact OE1-ND2 3.49Å; N263-P275 WeakPolarHBondContact O-CD 3.38Å; N263-C346 VanDerWaalsContact CB-O 3.23Å; N263-C346 WeakPolarHBondContact CB-O 3.33Å; N263-C346 PolarHBondContact N-O 2.91Å; N263-C346 PolarHBondContact ND2-O 3.04Å
264I98.7Very high96.7Very high1 Ų118.2 Ų18.21%0.00511%0.106CC..  trans-138.7129.9171-178.3165.7000109.5E222 L231 V233 V240 Y272 W273 V274E222-I264 HydrophobicContact CB-CG1 4.39Å; E222-I264 HydrophobicContact CB-CG2 3.94Å; L231-I264 HydrophobicContact CB-CD1 3.9Å; L231-I264 HydrophobicContact CD1-CD1 3.74Å; L231-I264 HydrophobicContact CG-CD1 4.49Å; V233-I264 HydrophobicContact CG2-CB 3.81Å; V233-I264 HydrophobicContact CG2-CG2 3.79Å; V240-I264 HydrophobicContact CG1-CD1 4.02Å; I264-Y272 HydrophobicContact CD1-CG 4.26Å; I264-Y272 HydrophobicContact CG1-CG 4.45Å; I264-W273 WeakPolarHBondContact CA-O 3.39Å; I264-V274 HydrophobicContact CB-CG2 4.15Å; I264-V274 HydrophobicContact CD1-CG2 3.91Å; I264-V274 HydrophobicContact CG1-CG2 3.87Å
265K97.6Very high96.7Very high18 Ų1817.9 Ų17.98%0.07810%0.104CC..EExtended strand (participates in β ladder)trans-134142.8177-76.2-169.2-172.5-930112.1L70 L117 Y272 W273 E347L70-K265 VanDerWaalsContact O-CE 3.25Å; L70-K265 WeakPolarHBondContact O-CE 3.36Å; L70-K265 PolarHBondContact O-NZ 3.16Å; L70-K265 VanDerWaalsContact O-NZ 3.13Å; L117-K265 PolarHBondContact O-NZ 3.32Å; K265-Y272 CarbonylContact O-C 3.59Å; K265-Y272 VanDerWaalsContact O-CA 3.28Å; K265-Y272 WeakPolarHBondContact O-CA 3.3Å; K265-W273 PolarHBondContact N-O 3.25Å; K265-W273 VanDerWaalsContact N-O 3.07Å; K265-W273 PolarHBondContact O-N 3.1Å; K265-E347 VanDerWaalsContact CD-OE1 3.23Å; K265-E347 WeakPolarHBondContact CD-OE1 3.41Å; K265-E347 WeakPolarHBondContact CE-OE1 3.33Å; K265-E347 WeakPolarHBondContact CE-OE2 3.14Å; K265-E347 WeakPolarHBondContact CG-OE1 3.41Å; K265-E347 IonicContact NZ-OE2 3.55Å
266A97Very high96.6Very high38 Ų3815.9 Ų15.931%0.3149%0.093SC..EExtended strand (participates in β ladder)trans-61.4137.4172.600000111.4E222 Y272E222-A266 HydrophobicContact CG-CB 4.5Å; E222-A266 PolarHBondContact OE2-N 3.27Å; A266-Y272 HydrophobicContact CB-CD1 4.31Å; A266-Y272 HydrophobicContact CB-CE1 4.37Å
267S96.8Very high96.5Very high7 Ų716 Ų165%0.0499%0.094CC..  trans-87.3136.9170.4167.80000109.9R269 G270 G271 E350S267-R269 PolarHBondContact O-N 3.32Å; S267-R269 PolarHBondContact OG-N 3.09Å; S267-G270 WeakPolarHBondContact CB-O 3.41Å; S267-G270 PolarHBondContact O-N 3.25Å; S267-G271 PolarHBondContact N-O 2.03Å; S267-E350 WeakPolarHBondContact CB-OE2 3.34Å; S267-E350 PolarHBondContact OG-OE2 3.07Å
268P95.1Very high96.1Very high97 Ų9717.1 Ų17.163%0.6310%0.1SC*.THydrogen-bonded Turntrans-58.5-18.1169.9-23.533.8000113.9E350P268-E350 HydrophobicContact CG-CG 4.48Å; P268-E350 WeakPolarHBondContact CG-O 3.14Å
269R93.9Very high95.9Very high92 Ų9217.4 Ų17.435%0.34710%0.101SC..THydrogen-bonded Turntrans-94.611.8176.9-61.5-172.7-69127.10.4113.3S267 E333 E350S267-R269 PolarHBondContact O-N 3.32Å; S267-R269 PolarHBondContact OG-N 3.09Å; R269-E333 IonicContact CZ-OE1 3.82Å; R269-E333 IonicContact CZ-OE2 3.67Å; R269-E333 IonicContact NH1-OE1 2.71Å; R269-E333 PolarHBondContact NH1-OE1 2.91Å; R269-E333 IonicContact NH1-OE2 2.82Å; R269-E333 IonicContact NH2-OE1 3.19Å; R269-E333 IonicContact NH2-OE2 3.87Å; R269-E333 PolarHBondContact NH2-OE2 2.94Å; R269-E350 IonicContact CZ-OE1 2.72Å; R269-E350 IonicContact NE-OE1 2.77Å; R269-E350 PolarHBondContact NE-OE1 3.34Å; R269-E350 IonicContact NE-OE2 2.71Å; R269-E350 IonicContact NH2-OE1 3.15Å; R269-E350 PolarHBondContact NH2-OE1 3.49Å; R269-E350 IonicContact NH2-OE2 2.68Å
270G95.6Very high95.6Very high28 Ų2818.6 Ų18.629%0.28911%0.106SC..SBendtrans84.2154.2-175.400000113.1S267 R324S267-G270 WeakPolarHBondContact CB-O 3.41Å; S267-G270 PolarHBondContact O-N 3.25Å; G270-R324 PolarHBondContact O-NH1 3.37Å
271G97.6Very high95Very high1 Ų121.3 Ų21.31%0.0112%0.122CC..SBendtrans74-163.5-171.300000113.2S267 L325 E327S267-G271 PolarHBondContact N-O 2.03Å; G271-L325 CarbonylContact C-O 3.49Å; G271-L325 WeakPolarHBondContact CA-O 3.3Å; G271-E327 PolarHBondContact N-OE1 2.95Å
272Y98.5Very high94.1Very high0 Ų025.1 Ų25.10%014%0.14CC..EExtended strand (participates in β ladder)trans-139.2132.4-166.3-50-90.6000111.4E222 C224 N225 L231 F253 I264 K265 A266 R324 L325 E327E222-Y272 HydrophobicContact CG-CD1 4.2Å; E222-Y272 HydrophobicContact CG-CE1 4.29Å; C224-Y272 WeakPolarHBondContact CA-OH 3.19Å; N225-Y272 PolarHBondContact N-OH 3.16Å; L231-Y272 HydrophobicContact CD1-CD1 3.79Å; L231-Y272 HydrophobicContact CD1-CD2 3.57Å; L231-Y272 HydrophobicContact CD1-CE1 3.81Å; L231-Y272 HydrophobicContact CD1-CE2 3.62Å; L231-Y272 HydrophobicContact CD1-CG 3.69Å; F253-Y272 HydrophobicContact CE1-CD2 4.03Å; F253-Y272 HydrophobicContact CE1-CE2 4.42Å; F253-Y272 AromaticContact CZ-CD2 3.96Å; F253-Y272 HydrophobicContact CZ-CD2 3.96Å; F253-Y272 AromaticContact CZ-CE2 3.94Å; F253-Y272 HydrophobicContact CZ-CE2 3.94Å; I264-Y272 HydrophobicContact CD1-CG 4.26Å; I264-Y272 HydrophobicContact CG1-CG 4.45Å; K265-Y272 CarbonylContact O-C 3.59Å; K265-Y272 VanDerWaalsContact O-CA 3.28Å; K265-Y272 WeakPolarHBondContact O-CA 3.3Å; A266-Y272 HydrophobicContact CB-CD1 4.31Å; A266-Y272 HydrophobicContact CB-CE1 4.37Å; Y272-R324 CarbonylContact O-C 3.53Å; Y272-R324 WeakPolarHBondContact O-CA 3.17Å; Y272-L325 PolarHBondContact N-O 2.95Å; Y272-L325 PolarHBondContact O-N 3.3Å; Y272-E327 VanDerWaalsContact CE2-OE2 3.28Å; Y272-E327 WeakPolarHBondContact CE2-OE2 3.13Å; Y272-E327 PolarHBondContact OH-OE2 3.16Å
273W98.5Very high93.3Very high1 Ų129.4 Ų29.40%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-83138.1169.3-74103.6000111I49 I264 K265 L322 I323 R324 E333 V348 E350 L355I49-W273 HydrophobicContact CD1-CH2 3.85Å; I264-W273 WeakPolarHBondContact CA-O 3.39Å; K265-W273 PolarHBondContact N-O 3.25Å; K265-W273 VanDerWaalsContact N-O 3.07Å; K265-W273 PolarHBondContact O-N 3.1Å; W273-L322 HydrophobicContact CE3-CB 4.15Å; W273-L322 HydrophobicContact CZ3-CB 4.09Å; W273-I323 CarbonylContact C-O 3.5Å; W273-I323 WeakPolarHBondContact CA-O 3.14Å; W273-I323 VanDerWaalsContact CE3-O 3.27Å; W273-R324 HydrophobicContact CD2-CB 3.86Å; W273-R324 HydrophobicContact CD2-CG 4.08Å; W273-R324 HydrophobicContact CE3-CB 3.77Å; W273-R324 HydrophobicContact CE3-CG 4.48Å; W273-R324 HydrophobicContact CG-CG 4.43Å; W273-R324 HydrophobicContact CH2-CB 3.77Å; W273-R324 HydrophobicContact CZ2-CB 3.9Å; W273-R324 HydrophobicContact CZ2-CG 4.23Å; W273-R324 HydrophobicContact CZ3-CB 3.72Å; W273-E333 HydrophobicContact CH2-CB 4.11Å; W273-E333 WeakPolarHBondContact CZ2-OE2 3.41Å; W273-V348 HydrophobicContact CB-CB 3.69Å; W273-V348 HydrophobicContact CB-CG1 3.76Å; W273-V348 HydrophobicContact CB-CG2 4.41Å; W273-V348 HydrophobicContact CD2-CG1 3.82Å; W273-V348 HydrophobicContact CE3-CG1 4.09Å; W273-V348 HydrophobicContact CG-CB 4.19Å; W273-V348 HydrophobicContact CG-CG1 3.68Å; W273-E350 PolarHBondContact NE1-OE2 2.97Å; W273-L355 HydrophobicContact CH2-CD1 3.89Å; W273-L355 HydrophobicContact CZ2-CD1 3.94Å; W273-L355 HydrophobicContact CZ2-CD2 3.79Å; W273-L355 HydrophobicContact CZ3-CD1 4.39Å
274V98.7Very high92.4Very high0 Ų034.9 Ų34.90%020%0.198CC..EExtended strand (participates in β ladder)trans-133.5121.1173.4-177.70000107.6P261 I264 V276 I323 L325P261-V274 HydrophobicContact CB-CG1 3.68Å; I264-V274 HydrophobicContact CB-CG2 4.15Å; I264-V274 HydrophobicContact CD1-CG2 3.91Å; I264-V274 HydrophobicContact CG1-CG2 3.87Å; V274-V276 HydrophobicContact CG1-CG2 4.26Å; V274-I323 HydrophobicContact CB-CD1 4.31Å; V274-I323 HydrophobicContact CB-CG1 3.87Å; V274-I323 PolarHBondContact N-O 3.21Å; V274-I323 VanDerWaalsContact O-CG1 3.26Å; V274-I323 WeakPolarHBondContact O-CG1 3.19Å; V274-I323 PolarHBondContact O-N 3.26Å; V274-L325 HydrophobicContact CG2-CD1 3.94Å; V274-L325 HydrophobicContact CG2-CG 4.39Å
275P97.9Very high91.6Very high0 Ų035.5 Ų35.50%020%0.202CC..EExtended strand (participates in β ladder)trans-76.2140.116725.9-16.4000109.2P261 D262 N263 L322 A345 C346 E347 V348P261-P275 WeakPolarHBondContact CA-O 3.37Å; D262-P275 HydrophobicContact CB-CG 4.3Å; D262-P275 PolarHBondContact N-O 3.3Å; N263-P275 WeakPolarHBondContact O-CD 3.38Å; P275-L322 HydrophobicContact CB-CD2 4.02Å; P275-A345 HydrophobicContact CB-CB 4.11Å; P275-C346 WeakPolarHBondContact CG-O 3.48Å; P275-E347 VanDerWaalsContact CG-N 3.33Å; P275-V348 HydrophobicContact CB-CG2 3.9Å; P275-V348 HydrophobicContact CG-CG2 4.16Å
276V96.3Very high90.9Very high0 Ų036.7 Ų36.70%021%0.21CC..EExtended strand (participates in β ladder)trans-130.2124.6-179.8-172.50000109P258 G259 Y260 V274 L279 S320 M321 I323P258-V276 HydrophobicContact CG-CG1 4.14Å; G259-V276 VanDerWaalsContact C-CG1 3.42Å; G259-V276 VanDerWaalsContact CA-CG1 3.44Å; G259-V276 VanDerWaalsContact N-CG1 3.32Å; Y260-V276 WeakPolarHBondContact O-CA 3.38Å; V274-V276 HydrophobicContact CG1-CG2 4.26Å; V276-L279 HydrophobicContact CB-CD2 4.28Å; V276-L279 HydrophobicContact CG1-CD2 3.79Å; V276-S320 CarbonylContact O-C 3.46Å; V276-S320 VanDerWaalsContact O-CA 3.26Å; V276-S320 WeakPolarHBondContact O-CA 3.44Å; V276-M321 HydrophobicContact CB-CG 3.89Å; V276-M321 PolarHBondContact N-O 3.15Å; V276-M321 PolarHBondContact O-N 3.31Å; V276-I323 HydrophobicContact CG2-CD1 3.78Å; V276-I323 HydrophobicContact CG2-CG1 3.95Å
277S93.3Very high90.3Very high3 Ų339.3 Ų39.32%0.02122%0.219CC..EExtended strand (participates in β ladder)trans-128.3161.5-171.6-75.70000112.2Y260 N344 A345Y260-S277 PolarHBondContact N-O 2.83Å; Y260-S277 PolarHBondContact O-N 3.49Å; S277-N344 WeakPolarHBondContact OG-CA 3.42Å; S277-A345 PolarHBondContact OG-N 2.67Å; S277-A345 PolarHBondContact OG-O 3.24Å
278N88.5Confident89.6Confident23 Ų2341.1 Ų41.112%0.12323%0.228CC..SBendtrans52.559.3-175-58.2-68.4000110.4Y260 L289 G317 S319 N344Y260-N278 HydrophobicContact CD2-CB 3.84Å; Y260-N278 HydrophobicContact CE2-CB 4.27Å; N278-L289 WeakPolarHBondContact O-CD1 3.22Å; N278-G317 WeakPolarHBondContact OD1-CA 3.36Å; N278-S319 PolarHBondContact N-O 3.3Å; N278-N344 PolarHBondContact ND2-OD1 3.28Å
279L89.4Confident89.1Confident11 Ų1136.7 Ų36.76%0.05820%0.199CC..  trans-60.6155.6-174.5-50.1-178.4000111.5P258 V276 D281 S285 S319 M321P258-L279 CarbonylContact O-C 3.54Å; P258-L279 VanDerWaalsContact O-CA 3.29Å; P258-L279 WeakPolarHBondContact O-CA 3.37Å; V276-L279 HydrophobicContact CB-CD2 4.28Å; V276-L279 HydrophobicContact CG1-CD2 3.79Å; L279-D281 WeakPolarHBondContact CB-OD1 3.28Å; L279-D281 PolarHBondContact O-N 3.14Å; L279-D281 VanDerWaalsContact O-OD1 3.04Å; L279-S285 WeakPolarHBondContact O-CB 3.36Å; L279-S285 PolarHBondContact O-OG 3.33Å; L279-S319 WeakPolarHBondContact CB-OG 3.22Å; L279-S319 WeakPolarHBondContact CG-OG 3.3Å; L279-M321 HydrophobicContact CD1-CE 3.26Å; L279-M321 HydrophobicContact CD2-CE 3.69Å; L279-M321 HydrophobicContact CD2-CG 4.08Å; L279-M321 HydrophobicContact CG-CE 4.08Å
280R86.1Confident88.6Confident25 Ų2535.4 Ų35.49%0.09420%0.198CC..THydrogen-bonded Turntrans-75.436.2176-58.6174.5-161-158.926112.1K38 L257 P258 V286 L289 N290K38-R280 PolarHBondContact O-NH1 2.82Å; K38-R280 PolarHBondContact O-NH2 3.41Å; L257-R280 PolarHBondContact O-NE 3.29Å; L257-R280 VanDerWaalsContact O-NE 3.14Å; L257-R280 PolarHBondContact O-NH2 3Å; P258-R280 WeakPolarHBondContact O-CG 3.35Å; P258-R280 PolarHBondContact O-N 3.44Å; R280-V286 WeakPolarHBondContact O-CG2 3.37Å; R280-L289 HydrophobicContact CB-CD1 4.46Å; R280-L289 HydrophobicContact CG-CB 4.12Å; R280-L289 HydrophobicContact CG-CD1 3.43Å; R280-L289 VanDerWaalsContact CG-CD1 3.43Å; R280-L289 HydrophobicContact CG-CG 4.39Å; R280-N290 PolarHBondContact NH1-OD1 2.94Å
281D82.8Confident88Confident89 Ų8939.1 Ų39.148%0.47621%0.208SC..THydrogen-bonded Turntrans-107.1-23.6179.157-0.6000112.4L279 S319L279-D281 WeakPolarHBondContact CB-OD1 3.28Å; L279-D281 PolarHBondContact O-N 3.14Å; L279-D281 VanDerWaalsContact O-OD1 3.04Å; D281-S319 PolarHBondContact OD1-OG 3.14Å; D281-S319 VanDerWaalsContact OD2-CB 3.3Å; D281-S319 WeakPolarHBondContact OD2-CB 3.26Å; D281-S319 PolarHBondContact OD2-OG 3.15Å; D281-S319 VanDerWaalsContact OD2-OG 3.09Å
282E78.7Confident87.5Confident80 Ų8040 Ų4037%0.37421%0.213SC..SBendtrans-96.6144177.7-68.1-71.3177.700112.1L284 S285 V286E282-L284 VanDerWaalsContact C-N 3.29Å; E282-L284 PolarHBondContact O-N 2.95Å; E282-L284 VanDerWaalsContact O-N 3.16Å; E282-S285 WeakPolarHBondContact O-CB 3.39Å; E282-S285 PolarHBondContact O-N 3.14Å; E282-V286 WeakPolarHBondContact O-CG2 3.42Å; E282-V286 PolarHBondContact O-N 3.14Å
283P79.2Confident86.9Confident103 Ų10340.1 Ų40.167%0.66921%0.213SC*.Hα-helixtrans-54.7-39.8-175.6-28.234.7000114.6L287P283-L287 PolarHBondContact O-N 3.07Å
284L80.1Confident86.4Confident116 Ų11641.6 Ų41.661%0.60723%0.225SC*.Hα-helixtrans-67.5-44.5178.2179.861.3000111.1E282 V286 L287 L288E282-L284 VanDerWaalsContact C-N 3.29Å; E282-L284 PolarHBondContact O-N 2.95Å; E282-L284 VanDerWaalsContact O-N 3.16Å; L284-V286 VanDerWaalsContact C-N 3.34Å; L284-V286 PolarHBondContact O-N 3.12Å; L284-L287 PolarHBondContact O-N 2.69Å; L284-L288 HydrophobicContact CD1-CD1 4.14Å; L284-L288 HydrophobicContact CD1-CG 4.11Å; L284-L288 HydrophobicContact CG-CD1 3.97Å; L284-L288 HydrophobicContact CG-CG 4.34Å; L284-L288 WeakPolarHBondContact O-CB 3.08Å; L284-L288 VanDerWaalsContact O-CG 3.28Å; L284-L288 WeakPolarHBondContact O-CG 3.32Å; L284-L288 PolarHBondContact O-N 3.05Å
285S81.5Confident85.9Confident13 Ų1348 Ų489%0.09125%0.251CS..Hα-helixtrans-61.4-44.5177.2-39.10000111L279 E282 L287 L288 L289L279-S285 WeakPolarHBondContact O-CB 3.36Å; L279-S285 PolarHBondContact O-OG 3.33Å; E282-S285 WeakPolarHBondContact O-CB 3.39Å; E282-S285 PolarHBondContact O-N 3.14Å; S285-L287 VanDerWaalsContact C-N 3.34Å; S285-L287 PolarHBondContact O-N 3.09Å; S285-L288 PolarHBondContact O-N 2.79Å; S285-L289 WeakPolarHBondContact O-CB 3.37Å; S285-L289 WeakPolarHBondContact O-CG 3.45Å; S285-L289 PolarHBondContact O-N 2.91Å
286V83.7Confident85.4Confident43 Ų4348.5 Ų48.526%0.26125%0.254SS..Hα-helixtrans-58.7-46176.41720000110.9R280 E282 L284 N290R280-V286 WeakPolarHBondContact O-CG2 3.37Å; E282-V286 WeakPolarHBondContact O-CG2 3.42Å; E282-V286 PolarHBondContact O-N 3.14Å; L284-V286 VanDerWaalsContact C-N 3.34Å; L284-V286 PolarHBondContact O-N 3.12Å; V286-N290 VanDerWaalsContact O-CB 3.3Å; V286-N290 WeakPolarHBondContact O-CB 3.16Å; V286-N290 PolarHBondContact O-N 2.62Å
287L83.2Confident84.8Confident94 Ų9451.5 Ų51.549%0.49227%0.265SS..Iπ-helixtrans-59.7-51.5175.8177.164.4000111.7P283 L284 S285 H291 L292P283-L287 PolarHBondContact O-N 3.07Å; L284-L287 PolarHBondContact O-N 2.69Å; S285-L287 VanDerWaalsContact C-N 3.34Å; S285-L287 PolarHBondContact O-N 3.09Å; L287-H291 HydrophobicContact CD1-CB 4.35Å; L287-H291 PolarHBondContact O-N 3.1Å; L287-L292 WeakPolarHBondContact O-CB 3.42Å; L287-L292 PolarHBondContact O-N 2.96Å
288L83.4Confident84.5Confident45 Ų4555.1 Ų55.124%0.23628%0.284CS..Iπ-helixtrans-64.8-40.3-176.9-70.5178.1000112.6L284 S285 L292 P293L284-L288 HydrophobicContact CD1-CD1 4.14Å; L284-L288 HydrophobicContact CD1-CG 4.11Å; L284-L288 HydrophobicContact CG-CD1 3.97Å; L284-L288 HydrophobicContact CG-CG 4.34Å; L284-L288 WeakPolarHBondContact O-CB 3.08Å; L284-L288 VanDerWaalsContact O-CG 3.28Å; L284-L288 WeakPolarHBondContact O-CG 3.32Å; L284-L288 PolarHBondContact O-N 3.05Å; S285-L288 PolarHBondContact O-N 2.79Å; L288-L292 HydrophobicContact CD2-CD2 3.53Å; L288-P293 WeakPolarHBondContact O-CD 3.48Å
289L83.9Confident84.5Confident4 Ų454.2 Ų54.22%0.02128%0.278CS..Iπ-helixtrans-88.4-42.4-172.1-67.4168.7000112.8V37 L238 Y260 N278 R280 S285 P293V37-L289 WeakPolarHBondContact CG2-O 3.37Å; L238-L289 HydrophobicContact CD1-CB 4.25Å; L238-L289 HydrophobicContact CD1-CD2 3.8Å; L238-L289 HydrophobicContact CD2-CD2 3.72Å; L238-L289 HydrophobicContact CG-CD2 4.4Å; Y260-L289 HydrophobicContact CD1-CD2 3.74Å; Y260-L289 HydrophobicContact CD2-CD2 4.38Å; Y260-L289 HydrophobicContact CE1-CD2 3.09Å; Y260-L289 HydrophobicContact CE1-CG 4.44Å; Y260-L289 HydrophobicContact CE2-CD2 3.87Å; Y260-L289 HydrophobicContact CG-CD2 4.32Å; Y260-L289 WeakPolarHBondContact OH-CD2 3.29Å; N278-L289 WeakPolarHBondContact O-CD1 3.22Å; R280-L289 HydrophobicContact CB-CD1 4.46Å; R280-L289 HydrophobicContact CG-CB 4.12Å; R280-L289 HydrophobicContact CG-CD1 3.43Å; R280-L289 VanDerWaalsContact CG-CD1 3.43Å; R280-L289 HydrophobicContact CG-CG 4.39Å; S285-L289 WeakPolarHBondContact O-CB 3.37Å; S285-L289 WeakPolarHBondContact O-CG 3.45Å; S285-L289 PolarHBondContact O-N 2.91Å; L289-P293 WeakPolarHBondContact O-CG 3.31Å
290N83.7Confident84.3Confident64 Ų6457.1 Ų57.134%0.34229%0.292SS..Iπ-helixtrans-95.5-34.6-170.5-65.8-14.8000113.2R280 V286R280-N290 PolarHBondContact NH1-OD1 2.94Å; V286-N290 VanDerWaalsContact O-CB 3.3Å; V286-N290 WeakPolarHBondContact O-CB 3.16Å; V286-N290 PolarHBondContact O-N 2.62Å
291H83.3Confident84.3Confident106 Ų10657 Ų5749%0.49129%0.293SS..Iπ-helixtrans-107.4-46.5-170-62.5-60.4000112.7L287 A294 Y295L287-H291 HydrophobicContact CD1-CB 4.35Å; L287-H291 PolarHBondContact O-N 3.1Å; H291-A294 PolarHBondContact O-N 3.37Å; H291-Y295 VanDerWaalsContact O-CD2 3.24Å; H291-Y295 WeakPolarHBondContact O-CD2 3.11Å
292L85.7Confident84.4Confident21 Ų2154.1 Ų54.111%0.1128%0.281CS..G310 helixtrans-60.4-31.1-173.9-166.261.4000114.9L287 L288 A294 Y295 I298 R299L287-L292 WeakPolarHBondContact O-CB 3.42Å; L287-L292 PolarHBondContact O-N 2.96Å; L288-L292 HydrophobicContact CD2-CD2 3.53Å; L292-A294 PolarHBondContact O-N 2.88Å; L292-A294 VanDerWaalsContact O-N 3.14Å; L292-Y295 PolarHBondContact O-N 3.2Å; L292-I298 HydrophobicContact CD1-CB 4.01Å; L292-I298 HydrophobicContact CD1-CG2 3.61Å; L292-R299 HydrophobicContact CD1-CG 3.77Å; L292-R299 HydrophobicContact CD2-CG 3.82Å; L292-R299 HydrophobicContact CG-CG 3.38Å; L292-R299 WeakPolarHBondContact O-CD 3.02Å; L292-R299 PolarHBondContact O-NE 3.47Å; L292-R299 VanDerWaalsContact O-NE 3.15Å
293P87.5Confident84.8Confident2 Ų250.4 Ų50.41%0.01326%0.264CS..G310 helixtrans-52.5-35.2176-34.541.8000115.2Y35 L288 L289 Y295 R299Y35-P293 HydrophobicContact CD1-CB 4.13Å; Y35-P293 HydrophobicContact CD2-CB 3.79Å; Y35-P293 HydrophobicContact CD2-CG 4.4Å; Y35-P293 HydrophobicContact CE1-CB 3.91Å; Y35-P293 HydrophobicContact CE2-CB 3.53Å; Y35-P293 HydrophobicContact CE2-CG 3.72Å; Y35-P293 HydrophobicContact CG-CB 4.08Å; Y35-P293 CarbonylContact O-C 3.54Å; Y35-P293 WeakPolarHBondContact O-CB 3.45Å; L288-P293 WeakPolarHBondContact O-CD 3.48Å; L289-P293 WeakPolarHBondContact O-CG 3.31Å; P293-Y295 PolarHBondContact O-N 2.87Å; P293-R299 PolarHBondContact O-NE 3.15Å; P293-R299 PolarHBondContact O-NH2 3.14Å; P293-R299 VanDerWaalsContact O-NH2 3.13Å
294A87.4Confident85.1Confident31 Ų3147.2 Ų47.226%0.25624%0.244SC..G310 helixtrans-73-13.1-179.700000113.8H291 L292 P296H291-A294 PolarHBondContact O-N 3.37Å; L292-A294 PolarHBondContact O-N 2.88Å; L292-A294 VanDerWaalsContact O-N 3.14Å; A294-P296 VanDerWaalsContact C-CD 3.49Å; A294-P296 WeakPolarHBondContact O-CD 3.3Å
295Y88.1Confident85.3Confident136 Ų13645.4 Ų45.453%0.53323%0.234SC..  trans-118.473.7-173.2-59.4-79.9000112.1H291 L292 P293 R297 I298 R299H291-Y295 VanDerWaalsContact O-CD2 3.24Å; H291-Y295 WeakPolarHBondContact O-CD2 3.11Å; L292-Y295 PolarHBondContact O-N 3.2Å; P293-Y295 PolarHBondContact O-N 2.87Å; Y295-R297 VanDerWaalsContact C-N 3.27Å; Y295-R297 PolarHBondContact O-N 3.39Å; Y295-I298 HydrophobicContact CD1-CD1 4.2Å; Y295-I298 HydrophobicContact CG-CD1 3.98Å; Y295-I298 PolarHBondContact O-N 3.37Å; Y295-I298 VanDerWaalsContact O-N 3.14Å; Y295-R299 PolarHBondContact O-N 3.45Å; Y295-R299 VanDerWaalsContact O-N 3.09Å
296P87.5Confident85.4Confident10 Ų1046.7 Ų46.77%0.06524%0.24CC..Hα-helixtrans-58.5-32.5-175.822.5-33.9000114T29 I34 A294 R299 Q300T29-P296 HydrophobicContact CG2-CG 4.11Å; I34-P296 HydrophobicContact CG1-CG 3.88Å; A294-P296 VanDerWaalsContact C-CD 3.49Å; A294-P296 WeakPolarHBondContact O-CD 3.3Å; P296-R299 WeakPolarHBondContact O-CB 3.44Å; P296-R299 PolarHBondContact O-N 2.98Å; P296-Q300 VanDerWaalsContact O-CG 3.32Å; P296-Q300 WeakPolarHBondContact O-CG 3.21Å; P296-Q300 PolarHBondContact O-N 3.3Å
297R83.7Confident85.2Confident62 Ų6247.9 Ų47.923%0.23425%0.25CC..Hα-helixtrans-67.5-41.7177.2-65.1-175.9-174.5149.521.5112.6C23 L24 N26 T27 T29 Y295 R299 Q300 L301C23-R297 WeakPolarHBondContact O-CD 3.41Å; L24-R297 PolarHBondContact O-NH1 3.42Å; N26-R297 PolarHBondContact O-NE 2.94Å; N26-R297 VanDerWaalsContact O-NE 3.14Å; N26-R297 PolarHBondContact O-NH2 2.85Å; T27-R297 PolarHBondContact O-NH2 3.23Å; T27-R297 VanDerWaalsContact O-NH2 3.15Å; T29-R297 HydrophobicContact CG2-CG 3.5Å; T29-R297 PolarHBondContact OG1-NH2 2.92Å; Y295-R297 VanDerWaalsContact C-N 3.27Å; Y295-R297 PolarHBondContact O-N 3.39Å; R297-R299 VanDerWaalsContact C-N 3.28Å; R297-R299 PolarHBondContact O-N 3.33Å; R297-Q300 PolarHBondContact O-N 2.99Å; R297-L301 WeakPolarHBondContact O-CB 2.96Å; R297-L301 PolarHBondContact O-N 2.89Å
298I85.9Confident85.2Confident80 Ų8049.9 Ų49.941%0.4126%0.258SS..Hα-helixtrans-64.9-40.7176.8-58-179.2000109.2L292 Y295 L301 A302L292-I298 HydrophobicContact CD1-CB 4.01Å; L292-I298 HydrophobicContact CD1-CG2 3.61Å; Y295-I298 HydrophobicContact CD1-CD1 4.2Å; Y295-I298 HydrophobicContact CG-CD1 3.98Å; Y295-I298 PolarHBondContact O-N 3.37Å; Y295-I298 VanDerWaalsContact O-N 3.14Å; I298-L301 PolarHBondContact O-N 2.89Å; I298-A302 WeakPolarHBondContact O-CB 3.48Å; I298-A302 PolarHBondContact O-N 3.14Å
299R89.1Confident85Confident4 Ų450.9 Ų50.92%0.01526%0.264CS..Hα-helixtrans-60.8-46.8174.7-80-168.3-56.5113.5-2.7113.6Y33 L190 E191 L292 P293 Y295 P296 R297 A302 S303Y33-R299 PolarHBondContact O-NH2 2.88Å; L190-R299 WeakPolarHBondContact O-CB 3.48Å; L190-R299 WeakPolarHBondContact O-CD 3.25Å; L190-R299 WeakPolarHBondContact O-CG 3.25Å; L190-R299 PolarHBondContact O-NH1 2.7Å; L190-R299 VanDerWaalsContact O-NH1 3.1Å; E191-R299 PolarHBondContact O-NH1 3.22Å; L292-R299 HydrophobicContact CD1-CG 3.77Å; L292-R299 HydrophobicContact CD2-CG 3.82Å; L292-R299 HydrophobicContact CG-CG 3.38Å; L292-R299 WeakPolarHBondContact O-CD 3.02Å; L292-R299 PolarHBondContact O-NE 3.47Å; L292-R299 VanDerWaalsContact O-NE 3.15Å; P293-R299 PolarHBondContact O-NE 3.15Å; P293-R299 PolarHBondContact O-NH2 3.14Å; P293-R299 VanDerWaalsContact O-NH2 3.13Å; Y295-R299 PolarHBondContact O-N 3.45Å; Y295-R299 VanDerWaalsContact O-N 3.09Å; P296-R299 WeakPolarHBondContact O-CB 3.44Å; P296-R299 PolarHBondContact O-N 2.98Å; R297-R299 VanDerWaalsContact C-N 3.28Å; R297-R299 PolarHBondContact O-N 3.33Å; R299-A302 PolarHBondContact O-N 3.13Å; R299-S303 WeakPolarHBondContact O-CB 3.35Å; R299-S303 PolarHBondContact O-N 3.01Å
300Q86.4Confident84.4Confident71 Ų7156.9 Ų56.933%0.33230%0.303SS..Hα-helixtrans-62-43.5175.4-75.2172.1-1.700111.6P296 R297 S303 S304P296-Q300 VanDerWaalsContact O-CG 3.32Å; P296-Q300 WeakPolarHBondContact O-CG 3.21Å; P296-Q300 PolarHBondContact O-N 3.3Å; R297-Q300 PolarHBondContact O-N 2.99Å; Q300-S303 WeakPolarHBondContact O-CB 3.41Å; Q300-S303 PolarHBondContact O-N 2.92Å; Q300-S304 PolarHBondContact O-N 3.33Å; Q300-S304 PolarHBondContact O-OG 2.94Å
301L85.9Confident83.9Confident24 Ų2460.1 Ų60.113%0.12631%0.314CS..Hα-helixtrans-62.5-46.6176.117661.9000111.9I20 R297 I298 S303 S304 I305I20-L301 HydrophobicContact CB-CD2 4.36Å; I20-L301 HydrophobicContact CG1-CD1 3.73Å; I20-L301 HydrophobicContact CG1-CD2 3.92Å; I20-L301 HydrophobicContact CG1-CG 4.45Å; I20-L301 HydrophobicContact CG2-CD2 3.91Å; R297-L301 WeakPolarHBondContact O-CB 2.96Å; R297-L301 PolarHBondContact O-N 2.89Å; I298-L301 PolarHBondContact O-N 2.89Å; L301-S303 VanDerWaalsContact C-N 3.29Å; L301-S303 PolarHBondContact O-N 3.19Å; L301-S304 PolarHBondContact O-N 3.34Å; L301-I305 HydrophobicContact CD1-CD1 4.04Å; L301-I305 HydrophobicContact CD1-CG1 4.3Å; L301-I305 HydrophobicContact CG-CD1 3.98Å; L301-I305 VanDerWaalsContact O-CG1 3.31Å; L301-I305 WeakPolarHBondContact O-CG1 3.49Å; L301-I305 PolarHBondContact O-N 2.91Å
302A85.4Confident83Confident28 Ų2860.4 Ų60.423%0.23131%0.314CS..Hα-helixtrans-60.4-40.8176.700000111.5L190 I298 R299 I305 I306L190-A302 HydrophobicContact CD2-CB 4.3Å; I298-A302 WeakPolarHBondContact O-CB 3.48Å; I298-A302 PolarHBondContact O-N 3.14Å; R299-A302 PolarHBondContact O-N 3.13Å; A302-I305 PolarHBondContact O-N 2.97Å; A302-I306 WeakPolarHBondContact O-CB 3.24Å; A302-I306 WeakPolarHBondContact O-CG1 3.25Å; A302-I306 PolarHBondContact O-N 2.89Å
303S86.7Confident82Confident1 Ų161.6 Ų61.61%0.00732%0.323CS..Hα-helixtrans-58.7-52.9173.2-1760000111.4T187 E191 R299 Q300 L301 I305 I306 S307T187-S303 WeakPolarHBondContact CA-OG 3.23Å; T187-S303 VanDerWaalsContact CG2-OG 3.28Å; T187-S303 WeakPolarHBondContact CG2-OG 3.29Å; E191-S303 WeakPolarHBondContact CG-OG 3.35Å; R299-S303 WeakPolarHBondContact O-CB 3.35Å; R299-S303 PolarHBondContact O-N 3.01Å; Q300-S303 WeakPolarHBondContact O-CB 3.41Å; Q300-S303 PolarHBondContact O-N 2.92Å; L301-S303 VanDerWaalsContact C-N 3.29Å; L301-S303 PolarHBondContact O-N 3.19Å; S303-I305 VanDerWaalsContact C-N 3.3Å; S303-I305 PolarHBondContact O-N 3.09Å; S303-I306 PolarHBondContact O-N 2.64Å; S303-I306 VanDerWaalsContact O-N 3.12Å; S303-S307 PolarHBondContact O-N 3.39Å; S303-S307 PolarHBondContact O-OG 3.49Å; S303-S307 VanDerWaalsContact O-OG 3.13Å
304S85.2Confident80.6Confident37 Ų3765.5 Ų65.526%0.25935%0.347SS..Hα-helixtrans-57.2-42177.8-62.60000112.4Q300 L301 S307 M308Q300-S304 PolarHBondContact O-N 3.33Å; Q300-S304 PolarHBondContact O-OG 2.94Å; L301-S304 PolarHBondContact O-N 3.34Å; S304-S307 PolarHBondContact O-N 3.09Å; S304-M308 WeakPolarHBondContact O-CE 3.33Å; S304-M308 WeakPolarHBondContact O-CG 3.12Å; S304-M308 PolarHBondContact O-N 3.14Å
305I84.5Confident79Confident78 Ų7865.8 Ų65.840%0.435%0.346SS..Hα-helixtrans-62.8-46.7177-68.2166.7000110.8L301 A302 S303 M308L301-I305 HydrophobicContact CD1-CD1 4.04Å; L301-I305 HydrophobicContact CD1-CG1 4.3Å; L301-I305 HydrophobicContact CG-CD1 3.98Å; L301-I305 VanDerWaalsContact O-CG1 3.31Å; L301-I305 WeakPolarHBondContact O-CG1 3.49Å; L301-I305 PolarHBondContact O-N 2.91Å; A302-I305 PolarHBondContact O-N 2.97Å; S303-I305 VanDerWaalsContact C-N 3.3Å; S303-I305 PolarHBondContact O-N 3.09Å; I305-M308 HydrophobicContact CG1-CE 4.31Å; I305-M308 PolarHBondContact O-N 3.19Å
306I82.9Confident77.5Confident40 Ų4067.9 Ų67.921%0.20536%0.358CS..Hα-helixtrans-67.8-36.9-178.8-77169.3000111.6W186 L190 A302 S303 M308 L309W186-I306 HydrophobicContact CB-CG2 3.89Å; W186-I306 HydrophobicContact CG-CG2 4.45Å; L190-I306 HydrophobicContact CD1-CB 4.09Å; L190-I306 HydrophobicContact CD1-CD1 3.35Å; L190-I306 HydrophobicContact CD1-CG1 4.22Å; L190-I306 HydrophobicContact CD1-CG2 4.36Å; A302-I306 WeakPolarHBondContact O-CB 3.24Å; A302-I306 WeakPolarHBondContact O-CG1 3.25Å; A302-I306 PolarHBondContact O-N 2.89Å; S303-I306 PolarHBondContact O-N 2.64Å; S303-I306 VanDerWaalsContact O-N 3.12Å; I306-M308 PolarHBondContact O-N 2.86Å; I306-L309 HydrophobicContact CG1-CD1 4.37Å; I306-L309 WeakPolarHBondContact O-CB 3.43Å; I306-L309 PolarHBondContact O-N 3.39Å; I306-L309 VanDerWaalsContact O-N 3.12Å
307S80.6Confident76.2Confident67 Ų6767.9 Ų67.947%0.46936%0.36SS..Hα-helixtrans-64.3-24.2174.6-63.50000113.4T187 S303 S304T187-S307 PolarHBondContact OG1-OG 3.26Å; S303-S307 PolarHBondContact O-N 3.39Å; S303-S307 PolarHBondContact O-OG 3.49Å; S303-S307 VanDerWaalsContact O-OG 3.13Å; S304-S307 PolarHBondContact O-N 3.09Å
308M82.9Confident75.4Confident136 Ų13671.1 Ų71.167%0.6738%0.376SS*.THydrogen-bonded Turntrans-82.1-14175-70.7-175.3-68.100113.6S304 I305 I306S304-M308 WeakPolarHBondContact O-CE 3.33Å; S304-M308 WeakPolarHBondContact O-CG 3.12Å; S304-M308 PolarHBondContact O-N 3.14Å; I305-M308 HydrophobicContact CG1-CE 4.31Å; I305-M308 PolarHBondContact O-N 3.19Å; I306-M308 PolarHBondContact O-N 2.86Å
309L79.4Confident75.2Confident66 Ų6667.9 Ų67.935%0.34636%0.36SS..  trans-73.3134.9-178.9-67.3174.3000110.8I306 F311I306-L309 HydrophobicContact CG1-CD1 4.37Å; I306-L309 WeakPolarHBondContact O-CB 3.43Å; I306-L309 PolarHBondContact O-N 3.39Å; I306-L309 VanDerWaalsContact O-N 3.12Å; L309-F311 WeakPolarHBondContact CB-O 3.36Å; L309-F311 HydrophobicContact CD2-CZ 4.48Å; L309-F311 PolarHBondContact O-N 3.43Å
310P71.6Confident75.4Confident131 Ų13167.8 Ų67.885%0.85136%0.36SS*.SBendtrans-71.4-15.8177.729.6-34.2000112.6
311F71.6Confident75.8Confident131 Ų13164.5 Ų64.558%0.57535%0.345SS*.SBendtrans-118.5141.3173.661.5-90.2000109.5L309L309-F311 WeakPolarHBondContact CB-O 3.36Å; L309-F311 HydrophobicContact CD2-CZ 4.48Å; L309-F311 PolarHBondContact O-N 3.43Å
312K65.7Low76.4Confident113 Ų11363.3 Ų63.349%0.49134%0.339SS..PPolyproline II helixtrans-89.1122.3172.9-70.2174.5-176.4163.80108.3Q183 T314Q183-K312 WeakPolarHBondContact O-CE 3.12Å; Q183-K312 PolarHBondContact O-NZ 3.46Å; K312-T314 PolarHBondContact O-N 3.37Å
313P63.5Low77Confident45 Ų4562 Ų6229%0.29233%0.328SS..PPolyproline II helixtrans-62.8123.4177.324.9-31.2000108.7W186W186-P313 WeakPolarHBondContact CZ2-O 3.47Å; W186-P313 PolarHBondContact NE1-O 2.98Å
314T57.8Low77.5Confident84 Ų8463 Ų6352%0.51533%0.332SS..PPolyproline II helixtrans-77.9128165-29.20000106.5K312 K316 Y361K312-T314 PolarHBondContact O-N 3.37Å; T314-K316 PolarHBondContact O-N 2.86Å; T314-Y361 HydrophobicContact CG2-CD1 3.8Å; T314-Y361 HydrophobicContact CG2-CE1 3.91Å; T314-Y361 HydrophobicContact CG2-CG 4.26Å
315P55.3Low78.1Confident38 Ų3861.3 Ų61.325%0.24732%0.319CS..  trans-66.3109176.115.8-5.9000106.6W186 G317 N344W186-P315 HydrophobicContact CH2-CB 3.72Å; W186-P315 HydrophobicContact CH2-CG 3.49Å; W186-P315 VanDerWaalsContact CH2-CG 3.49Å; W186-P315 HydrophobicContact CZ2-CB 3.91Å; W186-P315 HydrophobicContact CZ2-CG 3.39Å; P315-G317 PolarHBondContact O-N 3.37Å; P315-N344 PolarHBondContact O-ND2 2.8Å
316K57Low78.7Confident179 Ų17959.4 Ų59.478%0.77831%0.31SS*.  trans-76.453.9163.7-63.7-173.9-179.8-177.10108.2T314 K318T314-K316 PolarHBondContact O-N 2.86Å; K316-K318 PolarHBondContact O-N 3.19Å
317G60.1Low79.4Confident11 Ų1161.1 Ų61.111%0.11332%0.317CS..  trans-59.7122.5167.400000106.9N278 P315 S319 P343N278-G317 WeakPolarHBondContact OD1-CA 3.36Å; P315-G317 PolarHBondContact O-N 3.37Å; G317-S319 VanDerWaalsContact C-N 3.26Å; G317-S319 PolarHBondContact O-N 3.15Å; G317-P343 VanDerWaalsContact O-CB 3.31Å; G317-P343 WeakPolarHBondContact O-CB 3.35Å
318K67Low80.1Confident130 Ų13063.6 Ų63.657%0.56533%0.325SS*.  trans-85.7-0.8-172.6-68.7-174.9-179.6174.60113.6K316 N340K316-K318 PolarHBondContact O-N 3.19Å; K318-N340 VanDerWaalsContact C-OD1 3.29Å; K318-N340 VanDerWaalsContact CA-OD1 3.22Å; K318-N340 WeakPolarHBondContact CA-OD1 3.33Å; K318-N340 WeakPolarHBondContact O-CB 3.34Å; K318-N340 PolarHBondContact O-OD1 3.47Å; K318-N340 VanDerWaalsContact O-OD1 3.12Å
319S80.5Confident80.8Confident12 Ų1257.1 Ų57.18%0.08429%0.294CS..  trans-137.7127.4-168.560.90000110.4N278 L279 D281 G317N278-S319 PolarHBondContact N-O 3.3Å; L279-S319 WeakPolarHBondContact CB-OG 3.22Å; L279-S319 WeakPolarHBondContact CG-OG 3.3Å; D281-S319 PolarHBondContact OD1-OG 3.14Å; D281-S319 VanDerWaalsContact OD2-CB 3.3Å; D281-S319 WeakPolarHBondContact OD2-CB 3.26Å; D281-S319 PolarHBondContact OD2-OG 3.15Å; D281-S319 VanDerWaalsContact OD2-OG 3.09Å; G317-S319 VanDerWaalsContact C-N 3.26Å; G317-S319 PolarHBondContact O-N 3.15Å
320S93.1Very high81.6Confident1 Ų159.7 Ų59.71%0.00730%0.304CS..EExtended strand (participates in β ladder)trans-134.3160.2167.670.80000109.2V276 D337 L342V276-S320 CarbonylContact O-C 3.46Å; V276-S320 VanDerWaalsContact O-CA 3.26Å; V276-S320 WeakPolarHBondContact O-CA 3.44Å; S320-D337 WeakPolarHBondContact O-CB 3.32Å; S320-D337 PolarHBondContact O-N 2.88Å; S320-D337 WeakPolarHBondContact OG-CB 3.2Å; S320-L342 VanDerWaalsContact CB-O 3.26Å; S320-L342 WeakPolarHBondContact CB-O 3.17Å; S320-L342 PolarHBondContact OG-O 3.27Å
321M95.2Very high82.9Confident2 Ų254.5 Ų54.51%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-143.6156.6168.965.617876.200110.4L43 P258 V276 L279 I323 I334 W335 K336L43-M321 HydrophobicContact CD1-CE 3.64Å; L43-M321 HydrophobicContact CD1-SD 4.16Å; P258-M321 HydrophobicContact CB-CE 4.07Å; P258-M321 HydrophobicContact CB-SD 4.47Å; P258-M321 HydrophobicContact CG-CE 3.73Å; P258-M321 HydrophobicContact CG-SD 3.52Å; P258-M321 VanDerWaalsContact CG-SD 3.52Å; V276-M321 HydrophobicContact CB-CG 3.89Å; V276-M321 PolarHBondContact N-O 3.15Å; V276-M321 PolarHBondContact O-N 3.31Å; L279-M321 HydrophobicContact CD1-CE 3.26Å; L279-M321 HydrophobicContact CD2-CE 3.69Å; L279-M321 HydrophobicContact CD2-CG 4.08Å; L279-M321 HydrophobicContact CG-CE 4.08Å; M321-I323 HydrophobicContact CG-CG2 3.92Å; M321-I323 HydrophobicContact SD-CG2 3.64Å; M321-I334 HydrophobicContact CB-CG2 4.32Å; M321-I334 HydrophobicContact SD-CG2 3.96Å; M321-W335 CarbonylContact C-O 3.55Å; M321-W335 WeakPolarHBondContact CA-O 3.49Å; M321-W335 VanDerWaalsContact CB-O 3.26Å; M321-W335 WeakPolarHBondContact CB-O 3.47Å; M321-K336 HydrophobicContact CB-CG 4.35Å
322L97.7Very high84.1Confident0 Ų051 Ų510%026%0.255CS..EExtended strand (participates in β ladder)trans-107.9119.5169.8-46.3-175.7000106.4W273 P275 I334 W335 L342 A345 V348 L355 T357 L368W273-L322 HydrophobicContact CE3-CB 4.15Å; W273-L322 HydrophobicContact CZ3-CB 4.09Å; P275-L322 HydrophobicContact CB-CD2 4.02Å; L322-I334 WeakPolarHBondContact O-CA 3.32Å; L322-W335 HydrophobicContact CB-CB 4.3Å; L322-W335 HydrophobicContact CD1-CE3 4.15Å; L322-W335 HydrophobicContact CG-CE3 3.91Å; L322-W335 PolarHBondContact N-O 3.16Å; L322-W335 PolarHBondContact O-N 3.25Å; L322-L342 HydrophobicContact CD2-CD2 4.27Å; L322-A345 HydrophobicContact CD2-CB 3.97Å; L322-V348 HydrophobicContact CB-CG2 3.95Å; L322-V348 HydrophobicContact CD1-CG1 4.13Å; L322-V348 HydrophobicContact CD1-CG2 3.9Å; L322-V348 HydrophobicContact CD2-CG2 3.44Å; L322-V348 VanDerWaalsContact CD2-CG2 3.44Å; L322-V348 HydrophobicContact CG-CG2 3.91Å; L322-L355 HydrophobicContact CD1-CD1 4.5Å; L322-T357 HydrophobicContact CD1-CG2 4.33Å; L322-L368 HydrophobicContact CD1-CD1 4.13Å
323I97.9Very high85.6Confident0 Ų046.3 Ų46.30%024%0.235CC..EExtended strand (participates in β ladder)trans-109.1138.2177.164.6174.4000109.8L257 W273 V274 V276 M321 L325 I331 E333 I334L257-I323 HydrophobicContact CD2-CD1 3.61Å; W273-I323 CarbonylContact C-O 3.5Å; W273-I323 WeakPolarHBondContact CA-O 3.14Å; W273-I323 VanDerWaalsContact CE3-O 3.27Å; V274-I323 HydrophobicContact CB-CD1 4.31Å; V274-I323 HydrophobicContact CB-CG1 3.87Å; V274-I323 PolarHBondContact N-O 3.21Å; V274-I323 VanDerWaalsContact O-CG1 3.26Å; V274-I323 WeakPolarHBondContact O-CG1 3.19Å; V274-I323 PolarHBondContact O-N 3.26Å; V276-I323 HydrophobicContact CG2-CD1 3.78Å; V276-I323 HydrophobicContact CG2-CG1 3.95Å; M321-I323 HydrophobicContact CG-CG2 3.92Å; M321-I323 HydrophobicContact SD-CG2 3.64Å; I323-L325 HydrophobicContact CD1-CD2 3.99Å; I323-L325 HydrophobicContact CG1-CD2 4.49Å; I323-I331 HydrophobicContact CB-CG2 4.34Å; I323-I331 HydrophobicContact CD1-CD1 4.22Å; I323-I331 HydrophobicContact CD1-CG1 4.25Å; I323-I331 HydrophobicContact CG2-CG2 4.46Å; I323-E333 CarbonylContact C-O 3.58Å; I323-E333 WeakPolarHBondContact CA-O 3.34Å; I323-I334 HydrophobicContact CG2-CG1 4.31Å; I323-I334 HydrophobicContact CG2-CG2 4.43Å
324R98.1Very high87.2Confident23 Ų2344.1 Ų44.19%0.08722%0.221CC..EExtended strand (participates in β ladder)trans-103.2124.1166.3-162.8167.859.688.42.9108.8G270 Y272 W273 I332 E333G270-R324 PolarHBondContact O-NH1 3.37Å; Y272-R324 CarbonylContact O-C 3.53Å; Y272-R324 WeakPolarHBondContact O-CA 3.17Å; W273-R324 HydrophobicContact CD2-CB 3.86Å; W273-R324 HydrophobicContact CD2-CG 4.08Å; W273-R324 HydrophobicContact CE3-CB 3.77Å; W273-R324 HydrophobicContact CE3-CG 4.48Å; W273-R324 HydrophobicContact CG-CG 4.43Å; W273-R324 HydrophobicContact CH2-CB 3.77Å; W273-R324 HydrophobicContact CZ2-CB 3.9Å; W273-R324 HydrophobicContact CZ2-CG 4.23Å; W273-R324 HydrophobicContact CZ3-CB 3.72Å; R324-I332 HydrophobicContact CB-CG1 4.37Å; R324-I332 VanDerWaalsContact O-CG1 3.25Å; R324-I332 WeakPolarHBondContact O-CG1 3.28Å; R324-I332 PolarHBondContact O-N 3.13Å; R324-E333 HydrophobicContact CB-CB 3.97Å; R324-E333 IonicContact CZ-OE1 3.76Å; R324-E333 IonicContact CZ-OE2 3.2Å; R324-E333 PolarHBondContact N-O 3.3Å; R324-E333 VanDerWaalsContact NE-CD 3.31Å; R324-E333 IonicContact NE-OE1 2.99Å; R324-E333 IonicContact NE-OE2 2.86Å; R324-E333 PolarHBondContact NE-OE2 2.86Å; R324-E333 IonicContact NH2-OE1 3.66Å; R324-E333 PolarHBondContact NH2-OE1 3.12Å; R324-E333 IonicContact NH2-OE2 3.68Å; R324-E333 PolarHBondContact O-N 3.5Å
325L98.2Very high89Confident0 Ų040.8 Ų40.80%020%0.199CC..EExtended strand (participates in β ladder)trans-91.4144.9172.5-56.3-179.1000109.4V240 F253 G271 Y272 V274 I323 Q330 I331V240-L325 HydrophobicContact CG2-CD1 4.19Å; F253-L325 HydrophobicContact CD1-CD1 4.19Å; F253-L325 HydrophobicContact CE1-CB 4.3Å; F253-L325 HydrophobicContact CE1-CD1 4.08Å; G271-L325 CarbonylContact C-O 3.49Å; G271-L325 WeakPolarHBondContact CA-O 3.3Å; Y272-L325 PolarHBondContact N-O 2.95Å; Y272-L325 PolarHBondContact O-N 3.3Å; V274-L325 HydrophobicContact CG2-CD1 3.94Å; V274-L325 HydrophobicContact CG2-CG 4.39Å; I323-L325 HydrophobicContact CD1-CD2 3.99Å; I323-L325 HydrophobicContact CG1-CD2 4.49Å; L325-Q330 CarbonylContact C-O 3.56Å; L325-Q330 VanDerWaalsContact CA-O 3.24Å; L325-Q330 WeakPolarHBondContact CA-O 3.35Å; L325-I331 HydrophobicContact CD2-CG1 3.72Å
326D97.5Very high90.8Very high38 Ų3841.2 Ų41.220%0.20320%0.197CC..  trans-78.9-178166.375.2-1.3000111.8F253 N328 G329 Q330 I332F253-D326 VanDerWaalsContact CZ-O 3.25Å; F253-D326 WeakPolarHBondContact CZ-O 3.32Å; D326-N328 PolarHBondContact O-N 2.98Å; D326-N328 VanDerWaalsContact O-N 3.11Å; D326-N328 VanDerWaalsContact OD1-CA 3.29Å; D326-N328 WeakPolarHBondContact OD1-CA 3.24Å; D326-N328 WeakPolarHBondContact OD1-CB 3.35Å; D326-N328 PolarHBondContact OD1-N 3.41Å; D326-G329 PolarHBondContact O-N 3.12Å; D326-G329 PolarHBondContact OD1-N 2.81Å; D326-Q330 PolarHBondContact N-O 3.28Å; D326-Q330 PolarHBondContact OD1-N 2.96Å; D326-I332 HydrophobicContact CB-CD1 3.85Å; D326-I332 HydrophobicContact CB-CG1 4.4Å; D326-I332 HydrophobicContact CB-CG2 4.01Å
327E96.2Very high92.5Very high76 Ų7633.2 Ų33.236%0.35516%0.163SC..THydrogen-bonded Turntrans-67.9-4.5178.1-60-64.416400113.9N225 F253 G271 Y272N225-E327 PolarHBondContact ND2-OE1 2.72Å; N225-E327 VanDerWaalsContact ND2-OE1 3.07Å; F253-E327 VanDerWaalsContact CE2-O 3.29Å; F253-E327 WeakPolarHBondContact CE2-O 3.17Å; G271-E327 PolarHBondContact N-OE1 2.95Å; Y272-E327 VanDerWaalsContact CE2-OE2 3.28Å; Y272-E327 WeakPolarHBondContact CE2-OE2 3.13Å; Y272-E327 PolarHBondContact OH-OE2 3.16Å
328N96.1Very high93.8Very high119 Ų11939.1 Ų39.164%0.63619%0.191SC*.THydrogen-bonded Turntrans-111.29.3174.4-55.5-59.3000112.1D326 Q330D326-N328 PolarHBondContact O-N 2.98Å; D326-N328 VanDerWaalsContact O-N 3.11Å; D326-N328 VanDerWaalsContact OD1-CA 3.29Å; D326-N328 WeakPolarHBondContact OD1-CA 3.24Å; D326-N328 WeakPolarHBondContact OD1-CB 3.35Å; D326-N328 PolarHBondContact OD1-N 3.41Å; N328-Q330 VanDerWaalsContact C-N 3.31Å; N328-Q330 PolarHBondContact O-N 3.02Å
329G97Very high94.8Very high1 Ų139.7 Ų39.71%0.0120%0.196CC..SBendtrans72.216.717900000115.5F253 S254 D326F253-G329 VanDerWaalsContact CZ-N 3.31Å; F253-G329 WeakPolarHBondContact O-CA 3.45Å; S254-G329 VanDerWaalsContact CB-O 3.27Å; S254-G329 WeakPolarHBondContact CB-O 3.28Å; S254-G329 PolarHBondContact OG-O 3.32Å; D326-G329 PolarHBondContact O-N 3.12Å; D326-G329 PolarHBondContact OD1-N 2.81Å
330Q97.1Very high95.2Very high120 Ų12042.3 Ų42.356%0.56121%0.209SC*.  trans-83.8138.6173.4-59.4-54.4-56.500111L325 D326 N328 I332L325-Q330 CarbonylContact C-O 3.56Å; L325-Q330 VanDerWaalsContact CA-O 3.24Å; L325-Q330 WeakPolarHBondContact CA-O 3.35Å; D326-Q330 PolarHBondContact N-O 3.28Å; D326-Q330 PolarHBondContact OD1-N 2.96Å; N328-Q330 VanDerWaalsContact C-N 3.31Å; N328-Q330 PolarHBondContact O-N 3.02Å; Q330-I332 PolarHBondContact O-N 3.31Å
331I97.8Very high95.2Very high21 Ų2144.6 Ų44.611%0.10822%0.219CC..EExtended strand (participates in β ladder)trans-69.7125.1175.4-58.8173.7000108.8I41 L43 L47 I323 L325 I334I41-I331 HydrophobicContact CD1-CD1 4.2Å; L43-I331 HydrophobicContact CD2-CD1 4.21Å; L47-I331 HydrophobicContact CD1-CG2 4.18Å; L47-I331 VanDerWaalsContact CD1-O 3.27Å; L47-I331 WeakPolarHBondContact CD1-O 3.03Å; I323-I331 HydrophobicContact CB-CG2 4.34Å; I323-I331 HydrophobicContact CD1-CD1 4.22Å; I323-I331 HydrophobicContact CD1-CG1 4.25Å; I323-I331 HydrophobicContact CG2-CG2 4.46Å; L325-I331 HydrophobicContact CD2-CG1 3.72Å; I331-I334 HydrophobicContact CG2-CD1 3.87Å; I331-I334 HydrophobicContact CG2-CG1 3.5Å; I331-I334 VanDerWaalsContact CG2-CG1 3.5Å
332I97Very high95.1Very high57 Ų5744.5 Ų44.529%0.29222%0.219SC..EExtended strand (participates in β ladder)trans-122.4-18.2-179.553.8170.8000113.5R324 D326 Q330R324-I332 HydrophobicContact CB-CG1 4.37Å; R324-I332 VanDerWaalsContact O-CG1 3.25Å; R324-I332 WeakPolarHBondContact O-CG1 3.28Å; R324-I332 PolarHBondContact O-N 3.13Å; D326-I332 HydrophobicContact CB-CD1 3.85Å; D326-I332 HydrophobicContact CB-CG1 4.4Å; D326-I332 HydrophobicContact CB-CG2 4.01Å; Q330-I332 PolarHBondContact O-N 3.31Å
333E97.2Very high94.7Very high15 Ų1545 Ų457%0.0722%0.222CC..EExtended strand (participates in β ladder)trans-143143.7171.1-65.7179178.800110.3I49 R269 W273 I323 R324I49-E333 HydrophobicContact CD1-CB 3.82Å; I49-E333 HydrophobicContact CD1-CG 4.44Å; I49-E333 HydrophobicContact CG1-CB 4.28Å; I49-E333 HydrophobicContact CG2-CB 4.15Å; I49-E333 HydrophobicContact CG2-CG 4.04Å; R269-E333 IonicContact CZ-OE1 3.82Å; R269-E333 IonicContact CZ-OE2 3.67Å; R269-E333 IonicContact NH1-OE1 2.71Å; R269-E333 PolarHBondContact NH1-OE1 2.91Å; R269-E333 IonicContact NH1-OE2 2.82Å; R269-E333 IonicContact NH2-OE1 3.19Å; R269-E333 IonicContact NH2-OE2 3.87Å; R269-E333 PolarHBondContact NH2-OE2 2.94Å; W273-E333 HydrophobicContact CH2-CB 4.11Å; W273-E333 WeakPolarHBondContact CZ2-OE2 3.41Å; I323-E333 CarbonylContact C-O 3.58Å; I323-E333 WeakPolarHBondContact CA-O 3.34Å; R324-E333 HydrophobicContact CB-CB 3.97Å; R324-E333 IonicContact CZ-OE1 3.76Å; R324-E333 IonicContact CZ-OE2 3.2Å; R324-E333 PolarHBondContact N-O 3.3Å; R324-E333 VanDerWaalsContact NE-CD 3.31Å; R324-E333 IonicContact NE-OE1 2.99Å; R324-E333 IonicContact NE-OE2 2.86Å; R324-E333 PolarHBondContact NE-OE2 2.86Å; R324-E333 IonicContact NH2-OE1 3.66Å; R324-E333 PolarHBondContact NH2-OE1 3.12Å; R324-E333 IonicContact NH2-OE2 3.68Å; R324-E333 PolarHBondContact O-N 3.5Å
334I96.9Very high94.4Very high0 Ų045.1 Ų45.10%022%0.222CC..EExtended strand (participates in β ladder)trans-135.4117.3177.7-53.4172.3000109.2L43 L47 I48 I49 M321 L322 I323 I331 K336L43-I334 HydrophobicContact CB-CD1 4.21Å; L43-I334 HydrophobicContact CD2-CD1 3.99Å; L47-I334 HydrophobicContact CB-CD1 4.01Å; L47-I334 HydrophobicContact CB-CG1 4.09Å; L47-I334 HydrophobicContact CD1-CD1 4.47Å; L47-I334 PolarHBondContact O-N 2.78Å; I48-I334 CarbonylContact C-O 3.48Å; I48-I334 VanDerWaalsContact CA-O 3.29Å; I48-I334 WeakPolarHBondContact CA-O 3.29Å; I48-I334 HydrophobicContact CG1-CB 4.49Å; I49-I334 VanDerWaalsContact CG1-C 3.46Å; I49-I334 WeakPolarHBondContact CG1-O 3.37Å; I49-I334 PolarHBondContact N-O 3.38Å; M321-I334 HydrophobicContact CB-CG2 4.32Å; M321-I334 HydrophobicContact SD-CG2 3.96Å; L322-I334 WeakPolarHBondContact O-CA 3.32Å; I323-I334 HydrophobicContact CG2-CG1 4.31Å; I323-I334 HydrophobicContact CG2-CG2 4.43Å; I331-I334 HydrophobicContact CG2-CD1 3.87Å; I331-I334 HydrophobicContact CG2-CG1 3.5Å; I331-I334 VanDerWaalsContact CG2-CG1 3.5Å; I334-K336 HydrophobicContact CG2-CG 3.86Å
335W96.4Very high94.2Very high13 Ų1344 Ų445%0.04922%0.218CC..EExtended strand (participates in β ladder)trans-100.8123.8162.6-176.794.1000108.9I49 M321 L322 D337 L342 L368I49-W335 HydrophobicContact CD1-CB 4.2Å; I49-W335 HydrophobicContact CG1-CB 4.18Å; M321-W335 CarbonylContact C-O 3.55Å; M321-W335 WeakPolarHBondContact CA-O 3.49Å; M321-W335 VanDerWaalsContact CB-O 3.26Å; M321-W335 WeakPolarHBondContact CB-O 3.47Å; L322-W335 HydrophobicContact CB-CB 4.3Å; L322-W335 HydrophobicContact CD1-CE3 4.15Å; L322-W335 HydrophobicContact CG-CE3 3.91Å; L322-W335 PolarHBondContact N-O 3.16Å; L322-W335 PolarHBondContact O-N 3.25Å; W335-D337 HydrophobicContact CH2-CB 3.96Å; W335-D337 HydrophobicContact CZ3-CB 3.75Å; W335-L342 HydrophobicContact CZ3-CD2 3.95Å; W335-L368 HydrophobicContact CD2-CD1 3.5Å; W335-L368 VanDerWaalsContact CD2-CD1 3.5Å; W335-L368 HydrophobicContact CE3-CD1 3.97Å; W335-L368 HydrophobicContact CG-CD1 3.92Å; W335-L368 HydrophobicContact CH2-CD1 4.1Å; W335-L368 HydrophobicContact CH2-CD2 4.35Å; W335-L368 HydrophobicContact CZ2-CD1 3.67Å; W335-L368 HydrophobicContact CZ2-CD2 3.45Å; W335-L368 VanDerWaalsContact CZ2-CD2 3.45Å; W335-L368 HydrophobicContact CZ2-CG 4.15Å; W335-L368 HydrophobicContact CZ3-CD1 4.22Å
336K93.7Very high94.2Very high48 Ų4844 Ų4421%0.20922%0.218CC..EExtended strand (participates in β ladder)trans-102.7135.5179.2-69.2-174.5171.3175.90111.2I48 N50 M321 I334 L338I48-K336 HydrophobicContact CD1-CD 4.1Å; N50-K336 PolarHBondContact ND2-O 3.49Å; N50-K336 PolarHBondContact OD1-N 2.96Å; M321-K336 HydrophobicContact CB-CG 4.35Å; I334-K336 HydrophobicContact CG2-CG 3.86Å; K336-L338 HydrophobicContact CB-CD2 3.96Å; K336-L338 HydrophobicContact CB-CG 4.28Å; K336-L338 PolarHBondContact O-N 3.37Å; K336-L338 VanDerWaalsContact O-N 3.08Å
337D92.8Very high94.2Very high11 Ų1142.3 Ų42.36%0.05921%0.209CC..  trans-78.290.1167.6-179.518.5000110.4S320 W335 Q339 N340 E341 L342S320-D337 WeakPolarHBondContact O-CB 3.32Å; S320-D337 PolarHBondContact O-N 2.88Å; S320-D337 WeakPolarHBondContact OG-CB 3.2Å; W335-D337 HydrophobicContact CH2-CB 3.96Å; W335-D337 HydrophobicContact CZ3-CB 3.75Å; D337-Q339 VanDerWaalsContact C-N 3.34Å; D337-Q339 PolarHBondContact OD1-N 3.24Å; D337-N340 PolarHBondContact OD1-N 2.87Å; D337-N340 VanDerWaalsContact OD2-C 3.28Å; D337-N340 WeakPolarHBondContact OD2-CA 3.38Å; D337-E341 PolarHBondContact OD1-N 2.82Å; D337-E341 PolarHBondContact OD2-N 3.47Å; D337-L342 HydrophobicContact CB-CB 4.39Å; D337-L342 WeakPolarHBondContact OD2-CA 3.44Å; D337-L342 PolarHBondContact OD2-N 3.5Å
338L87.3Confident94.3Very high135 Ų13538.7 Ų38.771%0.70719%0.192SC*.SBendtrans-80.2-17.7-178.8-60.3177000113.2K336K336-L338 HydrophobicContact CB-CD2 3.96Å; K336-L338 HydrophobicContact CB-CG 4.28Å; K336-L338 PolarHBondContact O-N 3.37Å; K336-L338 VanDerWaalsContact O-N 3.08Å
339Q87.8Confident94.4Very high142 Ų14234.1 Ų34.166%0.66417%0.168SC*.SBendtrans-105.60.6-174.4-64.4-175.32300112.5D337 E341D337-Q339 VanDerWaalsContact C-N 3.34Å; D337-Q339 PolarHBondContact OD1-N 3.24Å; Q339-E341 HydrophobicContact CB-CG 3.8Å; Q339-E341 PolarHBondContact O-N 2.81Å; Q339-E341 PolarHBondContact OE1-OE2 2.87Å
340N88.6Confident94.4Very high67 Ų6734.6 Ų34.636%0.35817%0.17SC..SBendtrans55.740-176-172.136.1000111.9K318 D337K318-N340 VanDerWaalsContact C-OD1 3.29Å; K318-N340 VanDerWaalsContact CA-OD1 3.22Å; K318-N340 WeakPolarHBondContact CA-OD1 3.33Å; K318-N340 WeakPolarHBondContact O-CB 3.34Å; K318-N340 PolarHBondContact O-OD1 3.47Å; K318-N340 VanDerWaalsContact O-OD1 3.12Å; D337-N340 PolarHBondContact OD1-N 2.87Å; D337-N340 VanDerWaalsContact OD2-C 3.28Å; D337-N340 WeakPolarHBondContact OD2-CA 3.38Å
341E92.1Very high94.4Very high49 Ų4931.1 Ų31.123%0.22915%0.153CC..SBendtrans-96.6-3.3177.6-62.3-166104.800112.8L56 K58 D337 Q339 P343 Y364L56-E341 HydrophobicContact CD2-CB 3.61Å; K58-E341 WeakPolarHBondContact CE-OE1 3.35Å; K58-E341 IonicContact NZ-OE1 3.93Å; K58-E341 PolarHBondContact NZ-OE1 2.84Å; D337-E341 PolarHBondContact OD1-N 2.82Å; D337-E341 PolarHBondContact OD2-N 3.47Å; Q339-E341 HydrophobicContact CB-CG 3.8Å; Q339-E341 PolarHBondContact O-N 2.81Å; Q339-E341 PolarHBondContact OE1-OE2 2.87Å; E341-P343 VanDerWaalsContact C-CD 3.47Å; E341-Y364 PolarHBondContact O-OH 3.33Å
342L92.7Very high94.2Very high0 Ų035.7 Ų35.70%018%0.178CC..SBendtrans-138.453.6177.2-167.474.9000110.9L56 S320 L322 W335 D337 A345 T357 L362L56-L342 HydrophobicContact CD2-CB 4.21Å; S320-L342 VanDerWaalsContact CB-O 3.26Å; S320-L342 WeakPolarHBondContact CB-O 3.17Å; S320-L342 PolarHBondContact OG-O 3.27Å; L322-L342 HydrophobicContact CD2-CD2 4.27Å; W335-L342 HydrophobicContact CZ3-CD2 3.95Å; D337-L342 HydrophobicContact CB-CB 4.39Å; D337-L342 WeakPolarHBondContact OD2-CA 3.44Å; D337-L342 PolarHBondContact OD2-N 3.5Å; L342-A345 HydrophobicContact CD2-CB 3.71Å; L342-A345 HydrophobicContact CG-CB 3.9Å; L342-T357 HydrophobicContact CD1-CG2 3.71Å; L342-T357 HydrophobicContact CD2-CG2 3.41Å; L342-T357 VanDerWaalsContact CD2-CG2 3.41Å; L342-T357 HydrophobicContact CG-CG2 4.19Å; L342-L362 HydrophobicContact CD1-CD1 4.45Å
343P91.1Very high94Very high9 Ų937.6 Ų37.66%0.05819%0.189CC..THydrogen-bonded Turntrans-61.6142.3174.127.7-36.8000110.8G317 E341 A345 S359 Y361 L362G317-P343 VanDerWaalsContact O-CB 3.31Å; G317-P343 WeakPolarHBondContact O-CB 3.35Å; E341-P343 VanDerWaalsContact C-CD 3.47Å; P343-A345 VanDerWaalsContact C-N 3.29Å; P343-A345 PolarHBondContact O-N 3.35Å; P343-S359 PolarHBondContact O-OG 3.36Å; P343-Y361 WeakPolarHBondContact CB-OH 3.5Å; P343-Y361 WeakPolarHBondContact CG-OH 3.44Å; P343-L362 HydrophobicContact CG-CD1 4.32Å; P343-L362 HydrophobicContact CG-CD2 4.34Å
344N90.8Very high94Very high3 Ų338.3 Ų38.32%0.01619%0.193CC..THydrogen-bonded Turntrans5346.6-179.9-55.9-83000112.8S277 N278 P315 C346 S359 F360 Y361S277-N344 WeakPolarHBondContact OG-CA 3.42Å; N278-N344 PolarHBondContact ND2-OD1 3.28Å; P315-N344 PolarHBondContact O-ND2 2.8Å; N344-C346 PolarHBondContact O-N 3.23Å; N344-S359 WeakPolarHBondContact O-CA 3.47Å; N344-S359 WeakPolarHBondContact O-CB 3.37Å; N344-S359 PolarHBondContact O-OG 2.84Å; N344-F360 HydrophobicContact CB-CD2 3.63Å; N344-F360 HydrophobicContact CB-CE2 3.81Å; N344-Y361 HydrophobicContact CB-CE1 4.22Å
345A95Very high94.1Very high0 Ų038.3 Ų38.30%019%0.193CC..EExtended strand (participates in β ladder)trans-51.6128.5167.600000109.6P275 S277 L322 L342 P343 G358P275-A345 HydrophobicContact CB-CB 4.11Å; S277-A345 PolarHBondContact OG-N 2.67Å; S277-A345 PolarHBondContact OG-O 3.24Å; L322-A345 HydrophobicContact CD2-CB 3.97Å; L342-A345 HydrophobicContact CD2-CB 3.71Å; L342-A345 HydrophobicContact CG-CB 3.9Å; P343-A345 VanDerWaalsContact C-N 3.29Å; P343-A345 PolarHBondContact O-N 3.35Å; A345-G358 VanDerWaalsContact CA-O 3.31Å; A345-G358 WeakPolarHBondContact CA-O 3.46Å
346C96.2Very high94.2Very high0 Ų038.9 Ų38.90%020%0.195CC..EExtended strand (participates in β ladder)trans-118.6-17-174.464.30000113.8P67 E68 D262 N263 P275 N344 G358 S359 F360P67-C346 PolarHBondContact O-SG 3.25Å; E68-C346 PolarHBondContact O-SG 3.25Å; D262-C346 WeakPolarHBondContact OD2-CA 3.19Å; D262-C346 WeakPolarHBondContact OD2-CB 3.44Å; N263-C346 VanDerWaalsContact CB-O 3.23Å; N263-C346 WeakPolarHBondContact CB-O 3.33Å; N263-C346 PolarHBondContact N-O 2.91Å; N263-C346 PolarHBondContact ND2-O 3.04Å; P275-C346 WeakPolarHBondContact CG-O 3.48Å; N344-C346 PolarHBondContact O-N 3.23Å; C346-G358 PolarHBondContact N-O 2.88Å; C346-G358 VanDerWaalsContact N-O 3.09Å; C346-S359 WeakPolarHBondContact SG-CA 3.48Å; C346-S359 PolarHBondContact SG-N 2.85Å; C346-F360 HydrophobicContact CB-CD1 3.62Å; C346-F360 HydrophobicContact CB-CE1 3.27Å; C346-F360 HydrophobicContact CB-CE2 4.33Å; C346-F360 HydrophobicContact CB-CG 4.32Å; C346-F360 HydrophobicContact CB-CZ 3.66Å
347E97.6Very high94.4Very high2 Ų236.6 Ų36.61%0.00919%0.185CC..EExtended strand (participates in β ladder)trans-147.8150.7-174.2178.369-88.300111.7E68 S69 L70 K265 P275 T357 G358E68-E347 WeakPolarHBondContact O-CB 3.42Å; S69-E347 VanDerWaalsContact CA-OE2 3.25Å; S69-E347 WeakPolarHBondContact CA-OE2 3.33Å; S69-E347 WeakPolarHBondContact CB-OE2 3.13Å; S69-E347 PolarHBondContact OG-OE2 2.94Å; L70-E347 HydrophobicContact CB-CG 3.94Å; L70-E347 HydrophobicContact CD1-CB 4.38Å; L70-E347 HydrophobicContact CD1-CG 3.86Å; L70-E347 HydrophobicContact CG-CG 4Å; K265-E347 VanDerWaalsContact CD-OE1 3.23Å; K265-E347 WeakPolarHBondContact CD-OE1 3.41Å; K265-E347 WeakPolarHBondContact CE-OE1 3.33Å; K265-E347 WeakPolarHBondContact CE-OE2 3.14Å; K265-E347 WeakPolarHBondContact CG-OE1 3.41Å; K265-E347 IonicContact NZ-OE2 3.55Å; P275-E347 VanDerWaalsContact CG-N 3.33Å; E347-T357 WeakPolarHBondContact O-CA 3.45Å; E347-T357 WeakPolarHBondContact O-CB 3.31Å; E347-T357 PolarHBondContact O-OG1 3.41Å; E347-G358 PolarHBondContact O-N 3.3Å
348V98.3Very high94.5Very high1 Ų136 Ų361%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-139.6114.7171.2-171.70000109.3W273 P275 L322 L355 Y356W273-V348 HydrophobicContact CB-CB 3.69Å; W273-V348 HydrophobicContact CB-CG1 3.76Å; W273-V348 HydrophobicContact CB-CG2 4.41Å; W273-V348 HydrophobicContact CD2-CG1 3.82Å; W273-V348 HydrophobicContact CE3-CG1 4.09Å; W273-V348 HydrophobicContact CG-CB 4.19Å; W273-V348 HydrophobicContact CG-CG1 3.68Å; P275-V348 HydrophobicContact CB-CG2 3.9Å; P275-V348 HydrophobicContact CG-CG2 4.16Å; L322-V348 HydrophobicContact CB-CG2 3.95Å; L322-V348 HydrophobicContact CD1-CG1 4.13Å; L322-V348 HydrophobicContact CD1-CG2 3.9Å; L322-V348 HydrophobicContact CD2-CG2 3.44Å; L322-V348 VanDerWaalsContact CD2-CG2 3.44Å; L322-V348 HydrophobicContact CG-CG2 3.91Å; V348-L355 HydrophobicContact CG1-CD2 4.31Å; V348-Y356 WeakPolarHBondContact CA-O 3.2Å
349L98.3Very high94.9Very high22 Ų2229.6 Ų29.612%0.11515%0.149CC..EExtended strand (participates in β ladder)trans-107.7120.8170171.670.5000109L70 L77 L355 Y356L70-L349 HydrophobicContact CB-CB 3.87Å; L70-L349 HydrophobicContact CB-CD2 4Å; L77-L349 HydrophobicContact CD1-CD2 3.66Å; L349-L355 WeakPolarHBondContact O-CA 3.48Å; L349-Y356 HydrophobicContact CD2-CD2 4.06Å; L349-Y356 HydrophobicContact CG-CD2 4.43Å; L349-Y356 PolarHBondContact N-O 3.47Å; L349-Y356 PolarHBondContact O-N 3.45Å
350E97.9Very high95Very high11 Ų1126.2 Ų26.25%0.05113%0.132CC..EExtended strand (participates in β ladder)trans-95.3122.9167.9-175.5169.9-152.100110.1S267 P268 R269 W273 I354 L355S267-E350 WeakPolarHBondContact CB-OE2 3.34Å; S267-E350 PolarHBondContact OG-OE2 3.07Å; P268-E350 HydrophobicContact CG-CG 4.48Å; P268-E350 WeakPolarHBondContact CG-O 3.14Å; R269-E350 IonicContact CZ-OE1 2.72Å; R269-E350 IonicContact NE-OE1 2.77Å; R269-E350 PolarHBondContact NE-OE1 3.34Å; R269-E350 IonicContact NE-OE2 2.71Å; R269-E350 IonicContact NH2-OE1 3.15Å; R269-E350 PolarHBondContact NH2-OE1 3.49Å; R269-E350 IonicContact NH2-OE2 2.68Å; W273-E350 PolarHBondContact NE1-OE2 2.97Å; E350-I354 WeakPolarHBondContact CA-O 3.46Å; E350-L355 HydrophobicContact CB-CD2 3.64Å; E350-L355 HydrophobicContact CG-CD2 3.75Å
351H96.8Very high95.2Very high47 Ų4726.5 Ų26.522%0.21813%0.128CC..EExtended strand (participates in β ladder)trans-140.4127174.2-176.166.8000108.8Y72 D353 I354 Y356Y72-H351 AromaticContact CD1-CD2 3.5Å; Y72-H351 AromaticContact CD1-CE1 3.37Å; Y72-H351 WeakPolarHBondContact CD1-CE1 3.34Å; Y72-H351 AromaticContact CD1-CG 3.92Å; Y72-H351 AromaticContact CD1-ND1 3.84Å; Y72-H351 AromaticContact CD1-NE2 3.1Å; Y72-H351 WeakPolarHBondContact CD1-NE2 3.4Å; Y72-H351 AromaticContact CD2-CD2 3.67Å; Y72-H351 AromaticContact CE1-CD2 3.7Å; Y72-H351 AromaticContact CE1-CE1 3.74Å; Y72-H351 AromaticContact CE1-NE2 3.08Å; Y72-H351 WeakPolarHBondContact CE1-NE2 3.14Å; Y72-H351 AromaticContact CE2-CD2 3.85Å; Y72-H351 HydrophobicContact CG-CB 4.45Å; Y72-H351 AromaticContact CG-CD2 3.46Å; Y72-H351 VanDerWaalsContact CG-CD2 3.46Å; Y72-H351 AromaticContact CG-CE1 3.97Å; Y72-H351 AromaticContact CG-CG 3.71Å; Y72-H351 AromaticContact CG-NE2 3.63Å; Y72-H351 AromaticContact CZ-CD2 3.84Å; Y72-H351 AromaticContact CZ-NE2 3.57Å; H351-D353 PolarHBondContact O-N 3.47Å; H351-I354 PolarHBondContact N-O 3.39Å; H351-I354 WeakPolarHBondContact O-CA 3.46Å; H351-I354 WeakPolarHBondContact O-CB 3.23Å; H351-I354 VanDerWaalsContact O-CG1 3.32Å; H351-I354 WeakPolarHBondContact O-CG1 3.3Å; H351-I354 PolarHBondContact O-N 2.93Å; H351-Y356 HydrophobicContact CB-CE2 4.33Å
352D93.4Very high95.4Very high118 Ų11824.8 Ų24.863%0.63112%0.121SC*.THydrogen-bonded Turntrans48-129.4-170.3-57-27.2000111.9I354D352-I354 PolarHBondContact O-N 3.23Å
353D93.3Very high95.6Very high96 Ų9627.2 Ų27.251%0.51314%0.137SC..THydrogen-bonded Turntrans-92.734.1176-75-50.1000112.3H351 R367 R370H351-D353 PolarHBondContact O-N 3.47Å; D353-R367 PolarHBondContact O-NH2 3.06Å; D353-R367 VanDerWaalsContact O-NH2 3.13Å; D353-R370 HydrophobicContact CB-CB 3.95Å; D353-R370 PolarHBondContact O-N 3.09Å
354I97Very high95.9Very high31 Ų3128.4 Ų28.416%0.15914%0.14CC..EExtended strand (participates in β ladder)trans-128.9125.2-172.3-39.4-152.3000111.5E350 H351 D352 Y356 R367E350-I354 WeakPolarHBondContact CA-O 3.46Å; H351-I354 PolarHBondContact N-O 3.39Å; H351-I354 WeakPolarHBondContact O-CA 3.46Å; H351-I354 WeakPolarHBondContact O-CB 3.23Å; H351-I354 VanDerWaalsContact O-CG1 3.32Å; H351-I354 WeakPolarHBondContact O-CG1 3.3Å; H351-I354 PolarHBondContact O-N 2.93Å; D352-I354 PolarHBondContact O-N 3.23Å; I354-Y356 HydrophobicContact CB-CD2 4.43Å; I354-Y356 HydrophobicContact CB-CE2 3.97Å; I354-Y356 HydrophobicContact CD1-CE2 4.49Å; I354-Y356 WeakPolarHBondContact CD1-OH 3.36Å; I354-Y356 HydrophobicContact CG2-CD1 3.81Å; I354-Y356 HydrophobicContact CG2-CD2 3.54Å; I354-Y356 HydrophobicContact CG2-CE1 3.55Å; I354-Y356 HydrophobicContact CG2-CE2 3.27Å; I354-Y356 HydrophobicContact CG2-CG 3.79Å; I354-R367 VanDerWaalsContact CB-NH1 3.27Å; I354-R367 VanDerWaalsContact CB-NH2 3.31Å; I354-R367 VanDerWaalsContact CG1-CZ 3.43Å; I354-R367 HydrophobicContact CG2-CG 3.83Å
355L98.1Very high96.3Very high0 Ų028.2 Ų28.20%014%0.139CC..EExtended strand (participates in β ladder)trans-96.1121155-53.8179.8000109Y53 W273 L322 V348 L349 E350 R367 L368Y53-L355 HydrophobicContact CE1-CD1 3.92Å; Y53-L355 HydrophobicContact CE1-CG 3.82Å; Y53-L355 HydrophobicContact CE2-CD1 4.36Å; W273-L355 HydrophobicContact CH2-CD1 3.89Å; W273-L355 HydrophobicContact CZ2-CD1 3.94Å; W273-L355 HydrophobicContact CZ2-CD2 3.79Å; W273-L355 HydrophobicContact CZ3-CD1 4.39Å; L322-L355 HydrophobicContact CD1-CD1 4.5Å; V348-L355 HydrophobicContact CG1-CD2 4.31Å; L349-L355 WeakPolarHBondContact O-CA 3.48Å; E350-L355 HydrophobicContact CB-CD2 3.64Å; E350-L355 HydrophobicContact CG-CD2 3.75Å; L355-R367 WeakPolarHBondContact O-CA 3.42Å; L355-L368 HydrophobicContact CB-CB 4.26Å; L355-L368 PolarHBondContact N-O 3.31Å; L355-L368 PolarHBondContact O-N 2.91Å
356Y98.5Very high96.4Very high24 Ų2428.2 Ų28.29%0.09414%0.139CC..EExtended strand (participates in β ladder)trans-99.8142.1165-61.4-75.2000108.8I59 Y72 L77 V348 L349 H351 I354 I365 G366 R367I59-Y356 HydrophobicContact CD1-CD1 4.29Å; I59-Y356 HydrophobicContact CD1-CE1 4.05Å; Y72-Y356 HydrophobicContact CD2-CE2 4.3Å; L77-Y356 HydrophobicContact CD1-CD1 4.46Å; L77-Y356 HydrophobicContact CD1-CD2 3.91Å; L77-Y356 HydrophobicContact CD1-CE2 4.21Å; L77-Y356 HydrophobicContact CD1-CG 4.04Å; L77-Y356 HydrophobicContact CD2-CD1 3.8Å; L77-Y356 HydrophobicContact CD2-CE1 4.01Å; L77-Y356 HydrophobicContact CD2-CG 4.16Å; V348-Y356 WeakPolarHBondContact CA-O 3.2Å; L349-Y356 HydrophobicContact CD2-CD2 4.06Å; L349-Y356 HydrophobicContact CG-CD2 4.43Å; L349-Y356 PolarHBondContact N-O 3.47Å; L349-Y356 PolarHBondContact O-N 3.45Å; H351-Y356 HydrophobicContact CB-CE2 4.33Å; I354-Y356 HydrophobicContact CB-CD2 4.43Å; I354-Y356 HydrophobicContact CB-CE2 3.97Å; I354-Y356 HydrophobicContact CD1-CE2 4.49Å; I354-Y356 WeakPolarHBondContact CD1-OH 3.36Å; I354-Y356 HydrophobicContact CG2-CD1 3.81Å; I354-Y356 HydrophobicContact CG2-CD2 3.54Å; I354-Y356 HydrophobicContact CG2-CE1 3.55Å; I354-Y356 HydrophobicContact CG2-CE2 3.27Å; I354-Y356 HydrophobicContact CG2-CG 3.79Å; Y356-I365 HydrophobicContact CD1-CG2 4.34Å; Y356-G366 CarbonylContact C-O 3.49Å; Y356-G366 WeakPolarHBondContact CA-O 3.4Å; Y356-R367 HydrophobicContact CD1-CB 4.19Å; Y356-R367 HydrophobicContact CD1-CG 3.85Å; Y356-R367 HydrophobicContact CE1-CB 4.35Å; Y356-R367 HydrophobicContact CE1-CG 3.63Å
357T98Very high96.5Very high0 Ų028.9 Ų28.90%014%0.142CC..EExtended strand (participates in β ladder)trans-146.8140.6-176.9-179.70000112.2L322 L342 E347 I365 G366L322-T357 HydrophobicContact CD1-CG2 4.33Å; L342-T357 HydrophobicContact CD1-CG2 3.71Å; L342-T357 HydrophobicContact CD2-CG2 3.41Å; L342-T357 VanDerWaalsContact CD2-CG2 3.41Å; L342-T357 HydrophobicContact CG-CG2 4.19Å; E347-T357 WeakPolarHBondContact O-CA 3.45Å; E347-T357 WeakPolarHBondContact O-CB 3.31Å; E347-T357 PolarHBondContact O-OG1 3.41Å; T357-I365 WeakPolarHBondContact O-CG2 3.26Å; T357-G366 PolarHBondContact N-O 3.47Å; T357-G366 PolarHBondContact O-N 3.26Å
358G96.7Very high96.5Very high0 Ų028.8 Ų28.80%014%0.141CC..EExtended strand (participates in β ladder)trans-102.8174.2-178.700000113.1P67 A345 C346 E347P67-G358 CarbonylContact O-C 3.53Å; P67-G358 WeakPolarHBondContact O-CA 3.31Å; A345-G358 VanDerWaalsContact CA-O 3.31Å; A345-G358 WeakPolarHBondContact CA-O 3.46Å; C346-G358 PolarHBondContact N-O 2.88Å; C346-G358 VanDerWaalsContact N-O 3.09Å; E347-G358 PolarHBondContact O-N 3.3Å
359S95.1Very high96.4Very high0 Ų034.4 Ų34.40%017%0.165CC..EExtended strand (participates in β ladder)trans-149151.1169.2170.40000108.8G66 P67 P343 N344 C346 Y361 L362G66-S359 CarbonylContact C-O 3.58Å; G66-S359 VanDerWaalsContact C-O 3.27Å; G66-S359 WeakPolarHBondContact CA-O 3.22Å; P67-S359 WeakPolarHBondContact CD-O 3.47Å; P67-S359 PolarHBondContact O-N 2.93Å; P67-S359 VanDerWaalsContact O-O 3.12Å; P343-S359 PolarHBondContact O-OG 3.36Å; N344-S359 WeakPolarHBondContact O-CA 3.47Å; N344-S359 WeakPolarHBondContact O-CB 3.37Å; N344-S359 PolarHBondContact O-OG 2.84Å; C346-S359 WeakPolarHBondContact SG-CA 3.48Å; C346-S359 PolarHBondContact SG-N 2.85Å; S359-Y361 PolarHBondContact O-N 3.42Å; S359-L362 VanDerWaalsContact CB-CD1 3.42Å; S359-L362 WeakPolarHBondContact OG-CG 3.33Å
360F90.6Very high96.2Very high71 Ų7136.4 Ų36.431%0.31117%0.171SC..SBendtrans-59.3-19.8-175.5-48.7-64000115.2G66 I82 D262 N344 C346G66-F360 VanDerWaalsContact CA-C 3.46Å; G66-F360 WeakPolarHBondContact CA-O 3.48Å; I82-F360 WeakPolarHBondContact CD1-O 3.29Å; D262-F360 VanDerWaalsContact CG-CZ 3.49Å; D262-F360 WeakPolarHBondContact OD2-CE1 3.37Å; D262-F360 WeakPolarHBondContact OD2-CZ 3.39Å; N344-F360 HydrophobicContact CB-CD2 3.63Å; N344-F360 HydrophobicContact CB-CE2 3.81Å; C346-F360 HydrophobicContact CB-CD1 3.62Å; C346-F360 HydrophobicContact CB-CE1 3.27Å; C346-F360 HydrophobicContact CB-CE2 4.33Å; C346-F360 HydrophobicContact CB-CG 4.32Å; C346-F360 HydrophobicContact CB-CZ 3.66Å
361Y92.2Very high95.9Very high73 Ų7340.1 Ų40.129%0.28619%0.191SC..SBendtrans-140.5-11.5-173.168.8-95.5000116.1T314 P343 N344 S359T314-Y361 HydrophobicContact CG2-CD1 3.8Å; T314-Y361 HydrophobicContact CG2-CE1 3.91Å; T314-Y361 HydrophobicContact CG2-CG 4.26Å; P343-Y361 WeakPolarHBondContact CB-OH 3.5Å; P343-Y361 WeakPolarHBondContact CG-OH 3.44Å; N344-Y361 HydrophobicContact CB-CE1 4.22Å; S359-Y361 PolarHBondContact O-N 3.42Å
362L95.2Very high95Very high13 Ų1343.3 Ų43.37%0.06822%0.219CC..  trans-67.4148.3-173.7-67.9171.9000111.5G66 P67 L342 P343 S359 Y364G66-L362 PolarHBondContact N-O 3.4Å; P67-L362 WeakPolarHBondContact CD-O 3.39Å; L342-L362 HydrophobicContact CD1-CD1 4.45Å; P343-L362 HydrophobicContact CG-CD1 4.32Å; P343-L362 HydrophobicContact CG-CD2 4.34Å; S359-L362 VanDerWaalsContact CB-CD1 3.42Å; S359-L362 WeakPolarHBondContact OG-CG 3.33Å; L362-Y364 HydrophobicContact CB-CD1 4.46Å; L362-Y364 HydrophobicContact CB-CE1 4.23Å; L362-Y364 HydrophobicContact CB-CE2 4.45Å; L362-Y364 HydrophobicContact CD1-CE2 3.89Å; L362-Y364 HydrophobicContact CD2-CE1 4.14Å; L362-Y364 PolarHBondContact O-N 2.96Å
363P96.9Very high93.3Very high51 Ų5147.7 Ų47.733%0.33124%0.242SC..SBendtrans-79.411.7176.930.1-32000113.4L61 N65L61-P363 WeakPolarHBondContact CB-O 3.39Å; L61-P363 PolarHBondContact N-O 3.42Å; N65-P363 WeakPolarHBondContact OD1-CA 3.44Å; N65-P363 VanDerWaalsContact OD1-CB 3.28Å; N65-P363 WeakPolarHBondContact OD1-CB 3.34Å
364Y97.9Very high93.3Very high33 Ų3345.3 Ų45.313%0.12923%0.229CC..EExtended strand (participates in β ladder)trans-146.3156.2-176.255.2-95.9000112.1K58 I59 P67 E341 L362K58-Y364 HydrophobicContact CB-CD1 4.46Å; K58-Y364 HydrophobicContact CB-CD2 3.97Å; K58-Y364 HydrophobicContact CB-CG 3.91Å; K58-Y364 HydrophobicContact CD-CD1 4.17Å; K58-Y364 HydrophobicContact CD-CD2 4.18Å; K58-Y364 HydrophobicContact CD-CE1 3.98Å; K58-Y364 HydrophobicContact CD-CE2 3.96Å; K58-Y364 HydrophobicContact CD-CG 4.27Å; K58-Y364 HydrophobicContact CG-CD1 4.44Å; K58-Y364 HydrophobicContact CG-CD2 3.71Å; K58-Y364 HydrophobicContact CG-CE2 3.82Å; K58-Y364 HydrophobicContact CG-CG 4.04Å; I59-Y364 CarbonylContact O-C 3.57Å; I59-Y364 WeakPolarHBondContact O-CA 3.27Å; I59-Y364 VanDerWaalsContact O-CB 3.25Å; I59-Y364 WeakPolarHBondContact O-CB 3.34Å; P67-Y364 VanDerWaalsContact CG-O 3.3Å; P67-Y364 WeakPolarHBondContact CG-O 3.14Å; E341-Y364 PolarHBondContact O-OH 3.33Å; L362-Y364 HydrophobicContact CB-CD1 4.46Å; L362-Y364 HydrophobicContact CB-CE1 4.23Å; L362-Y364 HydrophobicContact CB-CE2 4.45Å; L362-Y364 HydrophobicContact CD1-CE2 3.89Å; L362-Y364 HydrophobicContact CD2-CE1 4.14Å; L362-Y364 PolarHBondContact O-N 2.96Å
365I98.4Very high93.1Very high0 Ų046 Ų460%023%0.232CC..EExtended strand (participates in β ladder)trans-89.5133.9163-63.9164.5000108.1I59 L61 P67 L70 L77 T79 I89 Y356 T357I59-I365 HydrophobicContact CB-CB 4.27Å; I59-I365 PolarHBondContact N-O 3.35Å; I59-I365 PolarHBondContact O-N 2.95Å; L61-I365 HydrophobicContact CD1-CG1 4.43Å; L61-I365 HydrophobicContact CD2-CD1 4.01Å; L61-I365 HydrophobicContact CD2-CG1 4.19Å; P67-I365 HydrophobicContact CB-CD1 4.36Å; P67-I365 HydrophobicContact CB-CG1 3.6Å; P67-I365 HydrophobicContact CG-CG1 3.83Å; L70-I365 HydrophobicContact CD1-CG2 4.34Å; L70-I365 HydrophobicContact CD2-CD1 3.68Å; L70-I365 HydrophobicContact CD2-CG1 4.12Å; L70-I365 HydrophobicContact CD2-CG2 4.3Å; L77-I365 HydrophobicContact CD2-CD1 3.71Å; L77-I365 HydrophobicContact CD2-CG2 4.28Å; T79-I365 HydrophobicContact CG2-CD1 3.89Å; I89-I365 HydrophobicContact CD1-CD1 3.51Å; Y356-I365 HydrophobicContact CD1-CG2 4.34Å; T357-I365 WeakPolarHBondContact O-CG2 3.26Å
366G97.9Very high92.8Very high0 Ų048.6 Ų48.60%025%0.245CC..EExtended strand (participates in β ladder)trans-79.2137.8170.600000111.3E57 Y356 T357E57-G366 CarbonylContact O-C 3.54Å; Y356-G366 CarbonylContact C-O 3.49Å; Y356-G366 WeakPolarHBondContact CA-O 3.4Å; T357-G366 PolarHBondContact N-O 3.47Å; T357-G366 PolarHBondContact O-N 3.26Å
367R97.8Very high92.5Very high13 Ų1350 Ų505%0.04925%0.254CS..EExtended strand (participates in β ladder)trans-130.3126.4177.8-170.8-79.5173.3-97.419.8110.1E57 I59 D353 I354 L355 Y356 K369E57-R367 HydrophobicContact CB-CB 4.2Å; E57-R367 PolarHBondContact N-O 3.29Å; E57-R367 PolarHBondContact O-N 2.91Å; I59-R367 HydrophobicContact CD1-CB 4.28Å; D353-R367 PolarHBondContact O-NH2 3.06Å; D353-R367 VanDerWaalsContact O-NH2 3.13Å; I354-R367 VanDerWaalsContact CB-NH1 3.27Å; I354-R367 VanDerWaalsContact CB-NH2 3.31Å; I354-R367 VanDerWaalsContact CG1-CZ 3.43Å; I354-R367 HydrophobicContact CG2-CG 3.83Å; L355-R367 WeakPolarHBondContact O-CA 3.42Å; Y356-R367 HydrophobicContact CD1-CB 4.19Å; Y356-R367 HydrophobicContact CD1-CG 3.85Å; Y356-R367 HydrophobicContact CE1-CB 4.35Å; Y356-R367 HydrophobicContact CE1-CG 3.63Å; R367-K369 VanDerWaalsContact CZ-CB 3.42Å; R367-K369 VanDerWaalsContact NH2-CG 3.28Å
368L97.2Very high92.2Very high0 Ų053.1 Ų53.10%027%0.27CS..EExtended strand (participates in β ladder)trans-121.399.3-177.5-68.2164.6000112.6Y53 L56 L322 W335 L355 R370Y53-L368 HydrophobicContact CD1-CB 3.84Å; Y53-L368 WeakPolarHBondContact CD1-O 3.49Å; Y53-L368 HydrophobicContact CE1-CB 4.49Å; Y53-L368 WeakPolarHBondContact CE1-O 3.5Å; Y53-L368 HydrophobicContact CG-CB 4.35Å; L56-L368 HydrophobicContact CB-CD2 4.02Å; L56-L368 HydrophobicContact CD1-CD1 4.31Å; L56-L368 HydrophobicContact CD1-CD2 3.67Å; L56-L368 HydrophobicContact CD1-CG 3.7Å; L56-L368 HydrophobicContact CG-CD2 4.49Å; L322-L368 HydrophobicContact CD1-CD1 4.13Å; W335-L368 HydrophobicContact CD2-CD1 3.5Å; W335-L368 VanDerWaalsContact CD2-CD1 3.5Å; W335-L368 HydrophobicContact CE3-CD1 3.97Å; W335-L368 HydrophobicContact CG-CD1 3.92Å; W335-L368 HydrophobicContact CH2-CD1 4.1Å; W335-L368 HydrophobicContact CH2-CD2 4.35Å; W335-L368 HydrophobicContact CZ2-CD1 3.67Å; W335-L368 HydrophobicContact CZ2-CD2 3.45Å; W335-L368 VanDerWaalsContact CZ2-CD2 3.45Å; W335-L368 HydrophobicContact CZ2-CG 4.15Å; W335-L368 HydrophobicContact CZ3-CD1 4.22Å; L355-L368 HydrophobicContact CB-CB 4.26Å; L355-L368 PolarHBondContact N-O 3.31Å; L355-L368 PolarHBondContact O-N 2.91Å; L368-R370 PolarHBondContact O-N 3.03Å
369K96.5Very high91.9Very high119 Ų11956.7 Ų56.752%0.51729%0.288SS..EExtended strand (participates in β ladder)trans-77.6121.3-173.3-175.3161.6-177.3-178.90110.8Y53 G54 R367 L371Y53-K369 CarbonylContact C-O 3.57Å; Y53-K369 VanDerWaalsContact CA-O 3.29Å; Y53-K369 WeakPolarHBondContact CA-O 3.36Å; G54-K369 PolarHBondContact N-O 3.47Å; R367-K369 VanDerWaalsContact CZ-CB 3.42Å; R367-K369 VanDerWaalsContact NH2-CG 3.28Å; K369-L371 PolarHBondContact O-N 3.24Å
370R94.9Very high91.6Very high64 Ų6460.7 Ų60.724%0.24231%0.309CS..EExtended strand (participates in β ladder)trans-61.7126.4172.6-162.3176.9-177.1165.10.1107.9K52 Y53 D353 L368 S372K52-R370 CarbonylContact O-C 3.59Å; K52-R370 WeakPolarHBondContact O-CA 3.47Å; K52-R370 WeakPolarHBondContact O-CG 3.45Å; Y53-R370 HydrophobicContact CD1-CB 4.16Å; Y53-R370 HydrophobicContact CE1-CB 3.87Å; Y53-R370 HydrophobicContact CE1-CG 4.31Å; D353-R370 HydrophobicContact CB-CB 3.95Å; D353-R370 PolarHBondContact O-N 3.09Å; L368-R370 PolarHBondContact O-N 3.03Å; R370-S372 PolarHBondContact O-N 2.84Å
371L92.5Very high91.7Very high89 Ų8959.9 Ų59.947%0.46631%0.309SS..PPolyproline II helixtrans-71126.6171.8-57.3177.5000105.9K52 K369 N373K52-L371 PolarHBondContact O-N 3.15Å; K369-L371 PolarHBondContact O-N 3.24Å; L371-N373 PolarHBondContact O-N 3.42Å
372S77.2Confident91.7Very high115 Ų11558.8 Ų58.880%0.80431%0.31SS*.PPolyproline II helixtrans-54.3125.2169.451.50000107.8R370R370-S372 PolarHBondContact O-N 2.84Å
373N57.6Low91.3Very high209 Ų20963 Ų63100%1.11833%0.332SS*.  trans-63.30167-86.8-2000110.1L371L371-N373 PolarHBondContact O-N 3.42Å

Retrieved 373 of 373 residues in 394.4 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).