A0A061IFL7_CRIGR Loading...

Short-chain dehydrogenase/reductase 3

Catalyzes the reduction of all-trans-retinal to all-trans-retinol in the presence of NADPH.

AlphaFold DB , UniProt , Accession A0A061IFL7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Dhrs3, Length 302 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
1M60Low74.7Confident190 Ų190122.5 Ų122.594%0.93662%0.622SS**  0-54.30-150174-71.900111.3W3 K4 W5M1-W3 PolarHBondContact O-N 2.7Å; M1-K4 PolarHBondContact O-N 3.49Å; M1-K4 VanDerWaalsContact O-N 3.12Å; M1-W5 VanDerWaalsContact O-CD1 3.23Å
2V62.5Low76.1Confident101 Ų101123.2 Ų123.261%0.61262%0.617SS**Hα-helixtrans-53.2-41.9178.5-179.40000114.6K4 W5 L6V2-K4 VanDerWaalsContact C-N 3.32Å; V2-K4 PolarHBondContact O-N 3.45Å; V2-W5 WeakPolarHBondContact O-CB 3.26Å; V2-W5 PolarHBondContact O-N 2.68Å; V2-L6 HydrophobicContact CG1-CD1 3.84Å; V2-L6 PolarHBondContact O-N 2.88Å
3W59.8Low77.3Confident219 Ų219118.1 Ų118.183%0.8360%0.598SS**Hα-helixtrans-65-28.6178.5-65.497.4000114.7M1 G7M1-W3 PolarHBondContact O-N 2.7Å; W3-G7 PolarHBondContact O-N 3.41Å
4K71Confident78.5Confident179 Ų179117.5 Ų117.578%0.77860%0.597SS**Hα-helixtrans-71-36.7174.1-70.7-170.3174.8-174.20111.4M1 V2 A8M1-K4 PolarHBondContact O-N 3.49Å; M1-K4 VanDerWaalsContact O-N 3.12Å; V2-K4 VanDerWaalsContact C-N 3.32Å; V2-K4 PolarHBondContact O-N 3.45Å; K4-A8 WeakPolarHBondContact O-CB 3.36Å; K4-A8 PolarHBondContact O-N 2.95Å
5W74.1Confident79.4Confident176 Ų176116.7 Ų116.767%0.66759%0.59SS**Hα-helixtrans-69.8-44.5176.3-70.5100.8000112.2M1 V2 G7 A8 L9M1-W5 VanDerWaalsContact O-CD1 3.23Å; V2-W5 WeakPolarHBondContact O-CB 3.26Å; V2-W5 PolarHBondContact O-N 2.68Å; W5-G7 VanDerWaalsContact C-N 3.34Å; W5-G7 PolarHBondContact O-N 3.16Å; W5-A8 PolarHBondContact O-N 2.82Å; W5-L9 WeakPolarHBondContact O-CG 3.5Å; W5-L9 PolarHBondContact O-N 3.45Å
6L71.1Confident80.3Confident92 Ų92114.6 Ų114.648%0.48258%0.578SS.*Hα-helixtrans-61.9-41.9174.4-79.5160000111.8V2 L9 V10V2-L6 HydrophobicContact CG1-CD1 3.84Å; V2-L6 PolarHBondContact O-N 2.88Å; L6-L9 PolarHBondContact O-N 3.21Å; L6-V10 PolarHBondContact O-N 3.39Å
7G78.1Confident81.1Confident34 Ų34114.1 Ų114.135%0.35158%0.577SS.*Hα-helixtrans-61-44.9173.400000112.6W3 W5 L9 V10 V11W3-G7 PolarHBondContact O-N 3.41Å; W5-G7 VanDerWaalsContact C-N 3.34Å; W5-G7 PolarHBondContact O-N 3.16Å; G7-L9 PolarHBondContact O-N 3.19Å; G7-V10 PolarHBondContact O-N 2.85Å; G7-V11 WeakPolarHBondContact O-CB 3.32Å; G7-V11 WeakPolarHBondContact O-CG2 3.26Å; G7-V11 PolarHBondContact O-N 3.14Å
8A81.8Confident81.8Confident56 Ų56115.8 Ų115.846%0.46358%0.576SS.*Hα-helixtrans-63.2-38.9177.500000112.8K4 W5 V10 V11 F12K4-A8 WeakPolarHBondContact O-CB 3.36Å; K4-A8 PolarHBondContact O-N 2.95Å; W5-A8 PolarHBondContact O-N 2.82Å; A8-V10 VanDerWaalsContact C-N 3.27Å; A8-V10 PolarHBondContact O-N 3.44Å; A8-V11 PolarHBondContact O-N 3.29Å; A8-F12 WeakPolarHBondContact O-CB 3.5Å; A8-F12 PolarHBondContact O-N 2.96Å
9L85.9Confident82.2Confident127 Ų127113.9 Ų113.967%0.66557%0.568SS**Hα-helixtrans-63.7-30177.6-79.9165.5000113.3W5 L6 G7 P13W5-L9 WeakPolarHBondContact O-CG 3.5Å; W5-L9 PolarHBondContact O-N 3.45Å; L6-L9 PolarHBondContact O-N 3.21Å; G7-L9 PolarHBondContact O-N 3.19Å; L9-P13 WeakPolarHBondContact O-CD 3.23Å; L9-P13 WeakPolarHBondContact O-CG 3.22Å
10V87.4Confident82.8Confident94 Ų94112.9 Ų112.957%0.5757%0.567SS**Hα-helixtrans-87.9-39.3176.8178.20000111.6L6 G7 A8 P13 L14L6-V10 PolarHBondContact O-N 3.39Å; G7-V10 PolarHBondContact O-N 2.85Å; A8-V10 VanDerWaalsContact C-N 3.27Å; A8-V10 PolarHBondContact O-N 3.44Å; V10-P13 VanDerWaalsContact O-CD 3.31Å; V10-P13 WeakPolarHBondContact O-CD 3.4Å; V10-P13 WeakPolarHBondContact O-CG 3.46Å; V10-L14 HydrophobicContact CG1-CD1 4.41Å
11V89.9Confident83.2Confident80 Ų80111.1 Ų111.149%0.48556%0.563SS.*Hα-helixtrans-69.8-37.9-1791720000111.7G7 A8 L14 Q15G7-V11 WeakPolarHBondContact O-CB 3.32Å; G7-V11 WeakPolarHBondContact O-CG2 3.26Å; G7-V11 PolarHBondContact O-N 3.14Å; A8-V11 PolarHBondContact O-N 3.29Å; V11-L14 PolarHBondContact O-N 3.33Å; V11-Q15 WeakPolarHBondContact O-CB 3.42Å; V11-Q15 PolarHBondContact O-N 3.3Å
12F92Very high84.5Confident130 Ų130108.1 Ų108.157%0.5754%0.544SS*.Hα-helixtrans-55.5-55.1-179176.1-100.9000114.2A8 L14 Q15 M16A8-F12 WeakPolarHBondContact O-CB 3.5Å; A8-F12 PolarHBondContact O-N 2.96Å; F12-L14 VanDerWaalsContact C-N 3.3Å; F12-L14 PolarHBondContact O-N 2.95Å; F12-Q15 PolarHBondContact O-N 3.41Å; F12-M16 HydrophobicContact CD1-CG 4.36Å; F12-M16 HydrophobicContact CD2-CG 4.27Å; F12-M16 HydrophobicContact CE1-CG 3.93Å; F12-M16 HydrophobicContact CE2-CG 3.83Å; F12-M16 HydrophobicContact CE2-SD 4.03Å; F12-M16 HydrophobicContact CZ-CG 3.64Å; F12-M16 HydrophobicContact CZ-SD 4.08Å; F12-M16 WeakPolarHBondContact O-CG 3.34Å; F12-M16 PolarHBondContact O-N 3.13Å
13P91.9Very high85.7Confident57 Ų57106.3 Ų106.337%0.3754%0.54SS..Hα-helixtrans-62.9-36.8-179.823.6-33.8000112.3L9 V10 M16 I17L9-P13 WeakPolarHBondContact O-CD 3.23Å; L9-P13 WeakPolarHBondContact O-CG 3.22Å; V10-P13 VanDerWaalsContact O-CD 3.31Å; V10-P13 WeakPolarHBondContact O-CD 3.4Å; V10-P13 WeakPolarHBondContact O-CG 3.46Å; P13-M16 PolarHBondContact O-N 2.81Å; P13-I17 VanDerWaalsContact O-CG1 3.27Å; P13-I17 WeakPolarHBondContact O-CG1 3.39Å; P13-I17 PolarHBondContact O-N 3.44Å
14L93.6Very high87Confident110 Ų11098.3 Ų98.358%0.57652%0.521SS*.Hα-helixtrans-63.9-44.2175.3-66.2174.1000111.6V10 V11 F12 M16 I17 Y18V10-L14 HydrophobicContact CG1-CD1 4.41Å; V11-L14 PolarHBondContact O-N 3.33Å; F12-L14 VanDerWaalsContact C-N 3.3Å; F12-L14 PolarHBondContact O-N 2.95Å; L14-M16 VanDerWaalsContact C-N 3.34Å; L14-M16 PolarHBondContact O-N 3.17Å; L14-I17 PolarHBondContact O-N 2.76Å; L14-Y18 WeakPolarHBondContact O-CB 3.42Å; L14-Y18 PolarHBondContact O-N 3.35Å
15Q91.8Very high87.9Confident106 Ų10693.4 Ų93.450%0.49551%0.506SS..Hα-helixtrans-63.2-40.6176.2-175.6172.3-2.900111.4V11 F12 Y18 L19V11-Q15 WeakPolarHBondContact O-CB 3.42Å; V11-Q15 PolarHBondContact O-N 3.3Å; F12-Q15 PolarHBondContact O-N 3.41Å; Q15-Y18 PolarHBondContact O-N 3.38Å; Q15-L19 HydrophobicContact CG-CD1 4.08Å; Q15-L19 HydrophobicContact CG-CG 4.47Å; Q15-L19 WeakPolarHBondContact O-CB 3.46Å; Q15-L19 VanDerWaalsContact O-CG 3.28Å; Q15-L19 WeakPolarHBondContact O-CG 3.33Å; Q15-L19 PolarHBondContact O-N 3.35Å
16M93.6Very high88.2Confident82 Ų8286.4 Ų86.440%0.40449%0.488SS..Hα-helixtrans-62.9-47.4175.3-72.9-56.2-59.300111.9F12 P13 L14 Y18 L19 V20F12-M16 HydrophobicContact CD1-CG 4.36Å; F12-M16 HydrophobicContact CD2-CG 4.27Å; F12-M16 HydrophobicContact CE1-CG 3.93Å; F12-M16 HydrophobicContact CE2-CG 3.83Å; F12-M16 HydrophobicContact CE2-SD 4.03Å; F12-M16 HydrophobicContact CZ-CG 3.64Å; F12-M16 HydrophobicContact CZ-SD 4.08Å; F12-M16 WeakPolarHBondContact O-CG 3.34Å; F12-M16 PolarHBondContact O-N 3.13Å; P13-M16 PolarHBondContact O-N 2.81Å; L14-M16 VanDerWaalsContact C-N 3.34Å; L14-M16 PolarHBondContact O-N 3.17Å; M16-Y18 VanDerWaalsContact C-N 3.3Å; M16-Y18 PolarHBondContact O-N 2.95Å; M16-L19 PolarHBondContact O-N 2.93Å; M16-V20 WeakPolarHBondContact O-CB 3.31Å; M16-V20 VanDerWaalsContact O-CG2 3.28Å; M16-V20 WeakPolarHBondContact O-CG2 3.22Å; M16-V20 PolarHBondContact O-N 3.27Å
17I94.2Very high88.7Confident107 Ų10789.4 Ų89.455%0.54950%0.504SS..Hα-helixtrans-58-46.1176.2-69.7164.7000110.2P13 L14 T21P13-I17 VanDerWaalsContact O-CG1 3.27Å; P13-I17 WeakPolarHBondContact O-CG1 3.39Å; P13-I17 PolarHBondContact O-N 3.44Å; L14-I17 PolarHBondContact O-N 2.76Å; I17-T21 VanDerWaalsContact O-CB 3.26Å; I17-T21 WeakPolarHBondContact O-CB 3.44Å; I17-T21 PolarHBondContact O-N 2.91Å; I17-T21 PolarHBondContact O-OG1 3.38Å
18Y92.9Very high89.1Confident144 Ų14493.6 Ų93.657%0.56552%0.522SS*.Hα-helixtrans-59-48.9176.8168.4-107.6000112.2L14 Q15 M16 T21 K22L14-Y18 WeakPolarHBondContact O-CB 3.42Å; L14-Y18 PolarHBondContact O-N 3.35Å; Q15-Y18 PolarHBondContact O-N 3.38Å; M16-Y18 VanDerWaalsContact C-N 3.3Å; M16-Y18 PolarHBondContact O-N 2.95Å; Y18-T21 PolarHBondContact O-N 2.93Å; Y18-K22 HydrophobicContact CE1-CD 4.41Å; Y18-K22 VanDerWaalsContact O-CB 3.23Å; Y18-K22 WeakPolarHBondContact O-CB 3.33Å; Y18-K22 PolarHBondContact O-N 3.32Å
19L91.1Very high89.2Confident80 Ų8096.7 Ų96.742%0.41953%0.53SS..Hα-helixtrans-65.7-41.6-178.5-71.4172.9000112.4Q15 M16 K22 A23Q15-L19 HydrophobicContact CG-CD1 4.08Å; Q15-L19 HydrophobicContact CG-CG 4.47Å; Q15-L19 WeakPolarHBondContact O-CB 3.46Å; Q15-L19 VanDerWaalsContact O-CG 3.28Å; Q15-L19 WeakPolarHBondContact O-CG 3.33Å; Q15-L19 PolarHBondContact O-N 3.35Å; M16-L19 PolarHBondContact O-N 2.93Å; L19-K22 PolarHBondContact O-N 3.35Å; L19-A23 WeakPolarHBondContact O-CB 3.27Å; L19-A23 PolarHBondContact O-N 2.9Å
20V92.4Very high88.8Confident93 Ų9395.1 Ų95.156%0.56453%0.528SS*.Hα-helixtrans-65.2-44.7176.1172.60000110.6M16 K22 A23 A24M16-V20 WeakPolarHBondContact O-CB 3.31Å; M16-V20 VanDerWaalsContact O-CG2 3.28Å; M16-V20 WeakPolarHBondContact O-CG2 3.22Å; M16-V20 PolarHBondContact O-N 3.27Å; V20-K22 PolarHBondContact O-N 2.89Å; V20-A23 PolarHBondContact O-N 3.26Å; V20-A24 WeakPolarHBondContact O-CB 3.28Å; V20-A24 PolarHBondContact O-N 2.86Å
21T91.8Very high88.3Confident77 Ų7794 Ų9447%0.47252%0.523SS..Hα-helixtrans-63.3-43.6177.4-54.60000110.8I17 Y18 A23 A24 V25I17-T21 VanDerWaalsContact O-CB 3.26Å; I17-T21 WeakPolarHBondContact O-CB 3.44Å; I17-T21 PolarHBondContact O-N 2.91Å; I17-T21 PolarHBondContact O-OG1 3.38Å; Y18-T21 PolarHBondContact O-N 2.93Å; T21-A23 VanDerWaalsContact C-N 3.34Å; T21-A23 PolarHBondContact O-N 3.2Å; T21-A24 WeakPolarHBondContact O-CB 3.44Å; T21-A24 PolarHBondContact O-N 2.94Å; T21-V25 WeakPolarHBondContact O-CG2 3.46Å; T21-V25 PolarHBondContact O-N 3.5Å
22K87.9Confident88.1Confident126 Ų12699.9 Ų99.955%0.54854%0.542SS..Hα-helixtrans-59.6-43.4175.2-178.5-178.7176.7-1770111.8Y18 L19 V20 V25 G26Y18-K22 HydrophobicContact CE1-CD 4.41Å; Y18-K22 VanDerWaalsContact O-CB 3.23Å; Y18-K22 WeakPolarHBondContact O-CB 3.33Å; Y18-K22 PolarHBondContact O-N 3.32Å; L19-K22 PolarHBondContact O-N 3.35Å; V20-K22 PolarHBondContact O-N 2.89Å; K22-V25 PolarHBondContact O-N 3.38Å; K22-G26 PolarHBondContact O-N 3.28Å
23A86.4Confident88.1Confident64 Ų6497.4 Ų97.453%0.52953%0.534SS..Hα-helixtrans-63.9-41.2175.800000111.7L19 V20 T21 G26 L27L19-A23 WeakPolarHBondContact O-CB 3.27Å; L19-A23 PolarHBondContact O-N 2.9Å; V20-A23 PolarHBondContact O-N 3.26Å; T21-A23 VanDerWaalsContact C-N 3.34Å; T21-A23 PolarHBondContact O-N 3.2Å; A23-G26 WeakPolarHBondContact O-CA 3.43Å; A23-G26 PolarHBondContact O-N 3.46Å; A23-G26 VanDerWaalsContact O-N 3.16Å; A23-L27 PolarHBondContact O-N 3.41Å
24A88.5Confident88.2Confident51 Ų5196.4 Ų96.442%0.42152%0.523SS..Hα-helixtrans-63.8-42.8176.100000112.4V20 T21 G26 L27V20-A24 WeakPolarHBondContact O-CB 3.28Å; V20-A24 PolarHBondContact O-N 2.86Å; T21-A24 WeakPolarHBondContact O-CB 3.44Å; T21-A24 PolarHBondContact O-N 2.94Å; A24-G26 VanDerWaalsContact C-N 3.26Å; A24-G26 PolarHBondContact O-N 2.92Å; A24-L27 WeakPolarHBondContact O-CB 3.28Å; A24-L27 PolarHBondContact O-N 2.9Å; A24-L27 VanDerWaalsContact O-N 3.14Å
25V88.6Confident88.3Confident76 Ų7696.1 Ų96.146%0.46152%0.522SS..Hα-helixtrans-61.1-38.4172.5172.40000110.7T21 K22 L27 V28 L29T21-V25 WeakPolarHBondContact O-CG2 3.46Å; T21-V25 PolarHBondContact O-N 3.5Å; K22-V25 PolarHBondContact O-N 3.38Å; V25-L27 PolarHBondContact O-N 3.27Å; V25-V28 PolarHBondContact O-N 2.92Å; V25-L29 HydrophobicContact CG1-CD1 4.32Å; V25-L29 PolarHBondContact O-N 2.92Å
26G81.8Confident88.6Confident29 Ų2991.1 Ų91.130%0.29950%0.498SS..Hα-helixtrans-60-21.6175.500000115K22 A23 A24 V28 L29K22-G26 PolarHBondContact O-N 3.28Å; A23-G26 WeakPolarHBondContact O-CA 3.43Å; A23-G26 PolarHBondContact O-N 3.46Å; A23-G26 VanDerWaalsContact O-N 3.16Å; A24-G26 VanDerWaalsContact C-N 3.26Å; A24-G26 PolarHBondContact O-N 2.92Å; G26-V28 VanDerWaalsContact C-N 3.3Å; G26-L29 WeakPolarHBondContact CA-O 3.33Å
27L81.6Confident88.7Confident155 Ų15589.8 Ų89.881%0.81250%0.498SS*.Hα-helixtrans-71.5-27.1172.9-62.3171.7000112.3A23 A24 V25A23-L27 PolarHBondContact O-N 3.41Å; A24-L27 WeakPolarHBondContact O-CB 3.28Å; A24-L27 PolarHBondContact O-N 2.9Å; A24-L27 VanDerWaalsContact O-N 3.14Å; V25-L27 PolarHBondContact O-N 3.27Å
28V85.8Confident88.8Confident121 Ų12194.2 Ų94.273%0.73351%0.507SS*.Hα-helixtrans-97.6-40.4179.8-175.20000111V25 G26V25-V28 PolarHBondContact O-N 2.92Å; G26-V28 VanDerWaalsContact C-N 3.3Å
29L84.4Confident89.1Confident121 Ų12187.9 Ų87.963%0.63448%0.483SS*.SBendtrans-118.594.1-179.3-66.6173.4000109V25 G26V25-L29 HydrophobicContact CG1-CD1 4.32Å; V25-L29 PolarHBondContact O-N 2.92Å; G26-L29 WeakPolarHBondContact CA-O 3.33Å
30P76.8Confident89.4Confident94 Ų9484.5 Ų84.561%0.6147%0.466SS*.PPolyproline II helixtrans-62.5145.8-174.324.8-32.8000111
31P77.9Confident89.7Confident71 Ų7180.1 Ų80.146%0.46144%0.439SS..PPolyproline II helixtrans-62.8157.2178.327.8-34.7000111L33P31-L33 PolarHBondContact O-N 3.23Å; P31-L33 VanDerWaalsContact O-N 3.13Å
32K85.8Confident90.1Very high203 Ų20376.4 Ų76.488%0.88342%0.417SS*.PPolyproline II helixtrans-56.5121.3171-176.4179.3179.4-179.20109
33L91.6Very high90.6Very high78 Ų7870.4 Ų70.441%0.40839%0.391SS..PPolyproline II helixtrans-68.7142178.1-61.7-177.1000110.6P31 D35 Q255 Q256P31-L33 PolarHBondContact O-N 3.23Å; P31-L33 VanDerWaalsContact O-N 3.13Å; L33-D35 PolarHBondContact O-N 3.08Å; L33-Q255 CarbonylContact C-O 3.52Å; L33-Q255 WeakPolarHBondContact CA-O 3.34Å; L33-Q255 HydrophobicContact CB-CB 4.15Å; L33-Q255 HydrophobicContact CD2-CB 4.02Å; L33-Q256 HydrophobicContact CD2-CG 3.54Å
34R93.9Very high91.2Very high36 Ų3667.5 Ų67.514%0.13637%0.366CS..PPolyproline II helixtrans-62128.7167.1-172.3179.6179.7130.81.9109.2E39 N167 Q255R34-E39 IonicContact CZ-OE1 3.23Å; R34-E39 VanDerWaalsContact CZ-OE1 3.23Å; R34-E39 IonicContact NE-OE1 2.83Å; R34-E39 PolarHBondContact NE-OE1 3.27Å; R34-E39 VanDerWaalsContact NH2-CD 3.35Å; R34-E39 IonicContact NH2-OE1 2.73Å; R34-E39 PolarHBondContact NH2-OE1 3.31Å; R34-E39 IonicContact NH2-OE2 3.35Å; R34-E39 PolarHBondContact NH2-OE2 2.89Å; R34-N167 PolarHBondContact NH2-OD1 3.38Å; R34-Q255 PolarHBondContact N-O 3.08Å; R34-Q255 PolarHBondContact O-NE2 2.9Å
35D95.6Very high91.6Very high104 Ų10466.2 Ų66.256%0.55636%0.358SS*.PPolyproline II helixtrans-76.3128173.2178.416.4000109.6L33 S37L33-D35 PolarHBondContact O-N 3.08Å; D35-S37 VanDerWaalsContact OD1-CB 3.26Å; D35-S37 WeakPolarHBondContact OD1-CB 3.27Å; D35-S37 PolarHBondContact OD1-N 3.47Å; D35-S37 PolarHBondContact OD1-OG 3.48Å; D35-S37 PolarHBondContact OD2-OG 2.83Å
36L97.4Very high92.1Very high1 Ų162.6 Ų62.61%0.00534%0.336CS..  trans-93.4-6.8-178.5-55.7-175.7000113R38 E39 F58 R61 G62 A63 I119 V251 Q255L36-R38 PolarHBondContact O-N 3.35Å; L36-E39 HydrophobicContact CB-CG 4.38Å; L36-E39 HydrophobicContact CD2-CG 4.01Å; L36-E39 WeakPolarHBondContact O-CB 3.37Å; L36-E39 PolarHBondContact O-N 2.67Å; L36-F58 HydrophobicContact CD1-CD1 3.94Å; L36-F58 HydrophobicContact CD1-CE1 4.21Å; L36-R61 HydrophobicContact CD1-CB 3.76Å; L36-G62 CarbonylContact C-O 3.58Å; L36-A63 WeakPolarHBondContact O-CA 3.4Å; L36-I119 HydrophobicContact CD2-CD1 3.99Å; L36-V251 HydrophobicContact CD1-CG1 3.79Å; L36-Q255 HydrophobicContact CD1-CG 3.97Å; L36-Q255 HydrophobicContact CD2-CG 4.27Å; L36-Q255 HydrophobicContact CG-CG 4.13Å
37S97Very high92.7Very high55 Ų5561.5 Ų61.539%0.38532%0.324SS..THydrogen-bonded Turntrans-56.4-19.4-17573.40000115.5D35 G62 R64D35-S37 VanDerWaalsContact OD1-CB 3.26Å; D35-S37 WeakPolarHBondContact OD1-CB 3.27Å; D35-S37 PolarHBondContact OD1-N 3.47Å; D35-S37 PolarHBondContact OD1-OG 3.48Å; D35-S37 PolarHBondContact OD2-OG 2.83Å; S37-G62 VanDerWaalsContact CA-O 3.22Å; S37-G62 WeakPolarHBondContact CA-O 3.37Å; S37-R64 WeakPolarHBondContact O-CB 3.42Å
38R96.2Very high93.3Very high199 Ų19957.4 Ų57.475%0.75130%0.298SS*.THydrogen-bonded Turntrans-112.2-1-180-60.2-176.6-178.1-171.4-0.9113.5L36L36-R38 PolarHBondContact O-N 3.35Å
39E98.1Very high93.8Very high11 Ų1153 Ų535%0.05128%0.278CS..  trans-87.6139.4-169.6-55.5-66.1179.400112R34 L36 R64 K65 T118 I119R34-E39 IonicContact CZ-OE1 3.23Å; R34-E39 VanDerWaalsContact CZ-OE1 3.23Å; R34-E39 IonicContact NE-OE1 2.83Å; R34-E39 PolarHBondContact NE-OE1 3.27Å; R34-E39 VanDerWaalsContact NH2-CD 3.35Å; R34-E39 IonicContact NH2-OE1 2.73Å; R34-E39 PolarHBondContact NH2-OE1 3.31Å; R34-E39 IonicContact NH2-OE2 3.35Å; R34-E39 PolarHBondContact NH2-OE2 2.89Å; L36-E39 HydrophobicContact CB-CG 4.38Å; L36-E39 HydrophobicContact CD2-CG 4.01Å; L36-E39 WeakPolarHBondContact O-CB 3.37Å; L36-E39 PolarHBondContact O-N 2.67Å; E39-R64 WeakPolarHBondContact O-CB 3.31Å; E39-R64 PolarHBondContact O-N 3.12Å; E39-K65 PolarHBondContact O-N 2.73Å; E39-T118 WeakPolarHBondContact CA-OG1 3.34Å; E39-T118 WeakPolarHBondContact OE2-CB 3.39Å; E39-T118 PolarHBondContact OE2-OG1 3.18Å; E39-I119 HydrophobicContact CB-CD1 3.9Å; E39-I119 HydrophobicContact CB-CG1 4.32Å; E39-I119 HydrophobicContact CG-CD1 4.01Å
40S98.6Very high94.4Very high10 Ų1048.5 Ų48.57%0.0725%0.254CS..EExtended strand (participates in β ladder)trans-109.1113172.9-1750000108.3D116 I117 T118 I119S40-D116 WeakPolarHBondContact CB-O 3.31Å; S40-I117 WeakPolarHBondContact OG-CD1 3.48Å; S40-T118 PolarHBondContact N-OG1 3.05Å; S40-T118 PolarHBondContact O-N 2.97Å; S40-T118 PolarHBondContact O-OG1 3.04Å; S40-I119 PolarHBondContact O-N 2.79Å; S40-I119 VanDerWaalsContact O-N 3.08Å
41V98.9Very high95.4Very high0 Ų044.1 Ų44.10%023%0.225CC..EExtended strand (participates in β ladder)trans-106.1120.6-168.8-170.60000110.2I43 F58 A63 K65 I66 V67 I119 V121V41-I43 HydrophobicContact CG1-CD1 4.29Å; V41-I43 HydrophobicContact CG1-CG1 3.91Å; V41-F58 HydrophobicContact CG1-CD1 4.25Å; V41-F58 HydrophobicContact CG1-CD2 3.83Å; V41-F58 HydrophobicContact CG1-CE1 4.3Å; V41-F58 HydrophobicContact CG1-CE2 3.9Å; V41-F58 HydrophobicContact CG1-CG 4.03Å; V41-F58 HydrophobicContact CG1-CZ 4.13Å; V41-F58 HydrophobicContact CG2-CB 4.49Å; V41-F58 HydrophobicContact CG2-CD1 3.86Å; V41-F58 HydrophobicContact CG2-CE1 4.25Å; V41-F58 HydrophobicContact CG2-CG 4.15Å; V41-A63 HydrophobicContact CG2-CB 3.93Å; V41-K65 PolarHBondContact N-O 3.35Å; V41-I66 CarbonylContact O-C 3.59Å; V41-I66 WeakPolarHBondContact O-CA 3.39Å; V41-V67 PolarHBondContact O-N 2.73Å; V41-I119 CarbonylContact C-O 3.55Å; V41-I119 WeakPolarHBondContact CA-O 3.42Å; V41-I119 HydrophobicContact CB-CB 4.41Å; V41-I119 HydrophobicContact CG1-CB 4.15Å; V41-I119 HydrophobicContact CG1-CG2 4.05Å; V41-I119 HydrophobicContact CG2-CB 4.14Å; V41-I119 HydrophobicContact CG2-CD1 4.2Å; V41-V121 HydrophobicContact CG1-CG2 3.95Å
42L98.9Very high96.4Very high0 Ų043.4 Ų43.40%021%0.214CC..EExtended strand (participates in β ladder)trans-101.3127.5170.8-170151.2000110.3T44 V67 W69 V110 I117 I119 L120 V121 F158L42-T44 HydrophobicContact CD2-CG2 3.9Å; L42-V67 CarbonylContact C-O 3.6Å; L42-V67 WeakPolarHBondContact CA-O 3.47Å; L42-V67 HydrophobicContact CB-CB 4.29Å; L42-V67 HydrophobicContact CD1-CB 4.38Å; L42-V67 HydrophobicContact CD1-CG1 4.06Å; L42-V67 HydrophobicContact CG-CB 4.16Å; L42-V67 HydrophobicContact CG-CG1 4.16Å; L42-W69 HydrophobicContact CD1-CD2 4.32Å; L42-W69 HydrophobicContact CD1-CZ2 3.95Å; L42-W69 HydrophobicContact CD2-CD2 4.08Å; L42-W69 HydrophobicContact CD2-CE3 4.45Å; L42-W69 HydrophobicContact CD2-CG 4.2Å; L42-V110 HydrophobicContact CD1-CG1 4.31Å; L42-V110 HydrophobicContact CD1-CG2 4.33Å; L42-I117 HydrophobicContact CB-CD1 4.16Å; L42-I117 HydrophobicContact CB-CG1 4.19Å; L42-I117 HydrophobicContact CB-CG2 3.69Å; L42-I117 HydrophobicContact CD1-CD1 4.4Å; L42-I117 HydrophobicContact CD1-CG1 4.11Å; L42-I119 PolarHBondContact N-O 2.87Å; L42-L120 HydrophobicContact CB-CD1 4.36Å; L42-L120 HydrophobicContact CD2-CD1 3.58Å; L42-L120 HydrophobicContact CG-CD1 4.48Å; L42-V121 PolarHBondContact O-N 2.89Å; L42-F158 HydrophobicContact CD1-CE1 4.07Å; L42-F158 HydrophobicContact CD1-CE2 3.88Å; L42-F158 HydrophobicContact CD1-CZ 3.47Å; L42-F158 VanDerWaalsContact CD1-CZ 3.47Å
43I98.9Very high97Very high0 Ų035.4 Ų35.40%018%0.179CC..EExtended strand (participates in β ladder)trans-121.5113.9-179.1-52.2173.1000109.7V41 L54 A55 F58 I66 V67 L68 W69 V121 N123V41-I43 HydrophobicContact CG1-CD1 4.29Å; V41-I43 HydrophobicContact CG1-CG1 3.91Å; I43-L54 HydrophobicContact CD1-CB 4.04Å; I43-A55 VanDerWaalsContact CD1-CA 3.48Å; I43-A55 HydrophobicContact CD1-CB 3.84Å; I43-F58 HydrophobicContact CD1-CD2 4.09Å; I43-I66 HydrophobicContact CD1-CG2 4.41Å; I43-V67 PolarHBondContact N-O 3.21Å; I43-L68 HydrophobicContact CB-CD2 4.22Å; I43-L68 HydrophobicContact CD1-CD2 4.34Å; I43-W69 PolarHBondContact O-N 2.77Å; I43-V121 HydrophobicContact CB-CB 4.4Å; I43-V121 HydrophobicContact CG1-CB 4.08Å; I43-V121 HydrophobicContact CG1-CG2 4.14Å; I43-V121 HydrophobicContact CG2-CB 4.33Å; I43-V121 HydrophobicContact CG2-CG1 4.41Å; I43-N123 HydrophobicContact CG2-CB 4.49Å
44T98.8Very high97.3Very high3 Ų331.7 Ų31.72%0.01816%0.16CC..EExtended strand (participates in β ladder)trans-77.2139.2171.670.40000110.4L42 G46 W69 V97 V121 N123 A124 T154L42-T44 HydrophobicContact CD2-CG2 3.9Å; T44-G46 VanDerWaalsContact C-N 3.26Å; T44-G46 PolarHBondContact O-N 3.11Å; T44-W69 HydrophobicContact CG2-CB 4.48Å; T44-W69 HydrophobicContact CG2-CE3 4.32Å; T44-V97 HydrophobicContact CG2-CG1 3.95Å; T44-V121 PolarHBondContact N-O 2.88Å; T44-V121 PolarHBondContact OG1-O 2.81Å; T44-N123 CarbonylContact O-C 3.58Å; T44-N123 VanDerWaalsContact O-CB 3.27Å; T44-N123 WeakPolarHBondContact O-CB 3.29Å; T44-N123 PolarHBondContact O-ND2 3.21Å; T44-N123 PolarHBondContact OG1-N 2.89Å; T44-A124 PolarHBondContact O-N 2.94Å; T44-A124 VanDerWaalsContact O-N 3.14Å; T44-A124 PolarHBondContact OG1-N 2.72Å; T44-T154 HydrophobicContact CG2-CG2 4.28Å
45G97.8Very high97.6Very high23 Ų2330 Ų3024%0.23715%0.153CC..THydrogen-bonded Turntrans67.826.3-171.900000113.1G47 W69 N123G45-G47 PolarHBondContact O-N 2.99Å; G45-W69 WeakPolarHBondContact CA-O 3.01Å; G45-W69 PolarHBondContact N-O 3.19Å; G45-N123 PolarHBondContact O-ND2 3.36Å
46G97.4Very high97.7Very high0 Ų029.1 Ų29.10%014%0.142CC..THydrogen-bonded Turntrans-70.6-8.6-172.100000115.8T44 R48 R52 W69T44-G46 VanDerWaalsContact C-N 3.26Å; T44-G46 PolarHBondContact O-N 3.11Å; G46-R48 PolarHBondContact O-N 2.97Å; G46-R52 WeakPolarHBondContact O-CA 3.38Å; G46-R52 PolarHBondContact O-N 3.39Å; G46-W69 PolarHBondContact N-O 3.46Å; G46-W69 VanDerWaalsContact N-O 3.12Å
47G95.9Very high97.8Very high6 Ų630.1 Ų30.16%0.06215%0.147CC..THydrogen-bonded Turntrans-79.9-11.7-173.200000116.1G45 R52 C75 T79G45-G47 PolarHBondContact O-N 2.99Å; G47-R52 PolarHBondContact O-NE 3.47Å; G47-R52 PolarHBondContact O-NH2 3.47Å; G47-C75 WeakPolarHBondContact O-CB 3.42Å; G47-T79 WeakPolarHBondContact CA-OG1 3.23Å; G47-T79 PolarHBondContact O-OG1 2.79Å
48R93.9Very high97.9Very high70 Ų7027.5 Ų27.526%0.26413%0.128SC..SBendtrans-163.2175.9-178.166.5173.774.1-159.40.1112.8G46 G51 R52 C75 E225 R301G46-R48 PolarHBondContact O-N 2.97Å; R48-G51 PolarHBondContact O-N 2.51Å; R48-R52 PolarHBondContact O-N 2.9Å; R48-C75 PolarHBondContact NH2-SG 2.8Å; R48-E225 IonicContact CZ-OE2 2.84Å; R48-E225 IonicContact NH1-OE2 2.92Å; R48-E225 PolarHBondContact NH1-OE2 3.48Å; R48-R301 VanDerWaalsContact CD-NH1 3.29Å
49G95.3Very high98Very high29 Ų2918.4 Ų18.430%0.29910%0.096SC..Hα-helixtrans54.2-142174.700000111.7G51 R52 H53G49-G51 PolarHBondContact O-N 2.88Å; G49-R52 PolarHBondContact O-N 3.36Å; G49-H53 PolarHBondContact O-CD2 3.44Å; G49-H53 PolarHBondContact O-N 2.89Å
50I97.4Very high98Very high26 Ų2623.4 Ų23.413%0.13312%0.119CC..Hα-helixtrans-56.3-39.1179.6-60.1167.6000111.4R52 H53 L54 L173 T222 T224 P243 V246I50-R52 PolarHBondContact O-N 3.4Å; I50-H53 PolarHBondContact O-N 3.44Å; I50-L54 HydrophobicContact CG2-CD1 3.72Å; I50-L54 HydrophobicContact CG2-CG 4.03Å; I50-L54 WeakPolarHBondContact O-CB 3.45Å; I50-L54 VanDerWaalsContact O-CG 3.32Å; I50-L54 WeakPolarHBondContact O-CG 3.4Å; I50-L54 PolarHBondContact O-N 2.96Å; I50-L173 HydrophobicContact CG2-CD1 4.13Å; I50-L173 HydrophobicContact CG2-CG 4.46Å; I50-T222 HydrophobicContact CD1-CG2 4.02Å; I50-T222 HydrophobicContact CG1-CG2 4.15Å; I50-T224 HydrophobicContact CG1-CG2 4.11Å; I50-P243 HydrophobicContact CG1-CB 4.26Å; I50-V246 HydrophobicContact CD1-CG1 4.27Å; I50-V246 HydrophobicContact CG2-CB 4.49Å; I50-V246 HydrophobicContact CG2-CG1 4.02Å
51G98.2Very high97.9Very high1 Ų126.6 Ų26.61%0.0113%0.13CC..Hα-helixtrans-59.8-41.3179.700000113.9R48 G49 L54 A55 N123R48-G51 PolarHBondContact O-N 2.51Å; G49-G51 PolarHBondContact O-N 2.88Å; G51-L54 PolarHBondContact O-N 2.9Å; G51-A55 PolarHBondContact O-N 3.02Å; G51-N123 WeakPolarHBondContact CA-ND2 3.36Å
52R98.4Very high97.9Very high57 Ų5728.4 Ų28.422%0.21515%0.149CC..Hα-helixtrans-65.2-44175.1174.8177-65.1-173.9-2.2111.2G46 G47 R48 G49 I50 L54 A55 R56 C75 E78 T79G46-R52 WeakPolarHBondContact O-CA 3.38Å; G46-R52 PolarHBondContact O-N 3.39Å; G47-R52 PolarHBondContact O-NE 3.47Å; G47-R52 PolarHBondContact O-NH2 3.47Å; R48-R52 PolarHBondContact O-N 2.9Å; G49-R52 PolarHBondContact O-N 3.36Å; I50-R52 PolarHBondContact O-N 3.4Å; R52-L54 VanDerWaalsContact C-N 3.35Å; R52-A55 WeakPolarHBondContact O-CB 3.02Å; R52-A55 PolarHBondContact O-N 3.27Å; R52-R56 WeakPolarHBondContact O-CG 3.32Å; R52-R56 PolarHBondContact O-N 2.84Å; R52-R56 VanDerWaalsContact O-N 3.08Å; R52-C75 PolarHBondContact NH2-O 2.98Å; R52-E78 IonicContact NH2-OE2 2.77Å; R52-E78 PolarHBondContact NH2-OE2 3.39Å; R52-E78 VanDerWaalsContact NH2-OE2 3.14Å; R52-T79 HydrophobicContact CB-CG2 4.18Å; R52-T79 HydrophobicContact CG-CG2 3.74Å; R52-T79 PolarHBondContact NE-OG1 2.97Å; R52-T79 PolarHBondContact NH2-OG1 3.03Å
53H98.6Very high97.8Very high35 Ų3528.6 Ų28.616%0.16215%0.15CC..Hα-helixtrans-68.9-33178.1-68-72.5000112.9G49 I50 R56 E57 P243 E244 A247G49-H53 PolarHBondContact O-CD2 3.44Å; G49-H53 PolarHBondContact O-N 2.89Å; I50-H53 PolarHBondContact O-N 3.44Å; H53-R56 PolarHBondContact O-N 3.37Å; H53-E57 WeakPolarHBondContact O-CB 3.34Å; H53-E57 PolarHBondContact O-N 2.89Å; H53-P243 VanDerWaalsContact CD2-CB 3.46Å; H53-P243 WeakPolarHBondContact CD2-CB 3.18Å; H53-E244 IonicContact CE1-OE1 3.29Å; H53-E244 PolarHBondContact CE1-OE1 2.85Å; H53-E244 IonicContact ND1-OE1 3.14Å; H53-E244 IonicContact NE2-OE1 3.9Å; H53-E244 PolarHBondContact NE2-OE1 3.07Å; H53-A247 VanDerWaalsContact C-CB 3.43Å; H53-A247 HydrophobicContact CB-CB 3.62Å
54L98.8Very high97.8Very high0 Ų036 Ų360%018%0.178CC..Hα-helixtrans-61.1-46.2170.9-76.2164000110.6I43 I50 G51 R52 R56 E57 F58 V121 N123 L173 A247 T250 V251I43-L54 HydrophobicContact CD1-CB 4.04Å; I50-L54 HydrophobicContact CG2-CD1 3.72Å; I50-L54 HydrophobicContact CG2-CG 4.03Å; I50-L54 WeakPolarHBondContact O-CB 3.45Å; I50-L54 VanDerWaalsContact O-CG 3.32Å; I50-L54 WeakPolarHBondContact O-CG 3.4Å; I50-L54 PolarHBondContact O-N 2.96Å; G51-L54 PolarHBondContact O-N 2.9Å; R52-L54 VanDerWaalsContact C-N 3.35Å; L54-R56 VanDerWaalsContact C-N 3.31Å; L54-R56 PolarHBondContact O-N 3.15Å; L54-E57 PolarHBondContact O-N 3.45Å; L54-F58 HydrophobicContact CD2-CE2 4.4Å; L54-F58 WeakPolarHBondContact O-CB 3.39Å; L54-F58 WeakPolarHBondContact O-CD2 3.46Å; L54-F58 PolarHBondContact O-N 2.78Å; L54-V121 HydrophobicContact CD1-CG1 3.99Å; L54-N123 HydrophobicContact CD1-CB 4.3Å; L54-L173 HydrophobicContact CD1-CD1 4.37Å; L54-L173 HydrophobicContact CD1-CD2 3.83Å; L54-L173 HydrophobicContact CD1-CG 3.94Å; L54-A247 HydrophobicContact CD2-CB 4.1Å; L54-A247 HydrophobicContact CG-CB 4.08Å; L54-T250 HydrophobicContact CD2-CG2 3.61Å; L54-V251 HydrophobicContact CD2-CG2 4.4Å
55A98.8Very high97.8Very high0 Ų037.2 Ų37.20%018%0.183CC..Hα-helixtrans-57.3-46.3176.800000111.4I43 G51 R52 F58 A59 I66 L68 T79 I83I43-A55 VanDerWaalsContact CD1-CA 3.48Å; I43-A55 HydrophobicContact CD1-CB 3.84Å; G51-A55 PolarHBondContact O-N 3.02Å; R52-A55 WeakPolarHBondContact O-CB 3.02Å; R52-A55 PolarHBondContact O-N 3.27Å; A55-F58 PolarHBondContact O-N 3.31Å; A55-A59 WeakPolarHBondContact O-CB 3.46Å; A55-A59 PolarHBondContact O-N 3.2Å; A55-I66 HydrophobicContact CB-CG2 4.21Å; A55-I66 WeakPolarHBondContact O-CD1 3.15Å; A55-L68 HydrophobicContact CB-CD2 3.73Å; A55-T79 HydrophobicContact CB-CG2 4.31Å; A55-I83 VanDerWaalsContact C-CD1 3.47Å; A55-I83 HydrophobicContact CB-CD1 3.95Å; A55-I83 HydrophobicContact CB-CG1 4.09Å
56R98.7Very high97.8Very high86 Ų8636.1 Ų36.133%0.32517%0.172SC..Hα-helixtrans-61.3-49.4177.1-69173.762.6154.1-5.6112.1R52 H53 L54 F58 A59 E60 E82 I83 M86R52-R56 WeakPolarHBondContact O-CG 3.32Å; R52-R56 PolarHBondContact O-N 2.84Å; R52-R56 VanDerWaalsContact O-N 3.08Å; H53-R56 PolarHBondContact O-N 3.37Å; L54-R56 VanDerWaalsContact C-N 3.31Å; L54-R56 PolarHBondContact O-N 3.15Å; R56-F58 PolarHBondContact O-N 3.21Å; R56-A59 WeakPolarHBondContact O-CB 3.31Å; R56-A59 PolarHBondContact O-N 3.16Å; R56-A59 VanDerWaalsContact O-N 3.15Å; R56-E60 WeakPolarHBondContact O-CG 3.02Å; R56-E60 PolarHBondContact O-N 3.27Å; R56-E82 WeakPolarHBondContact CD-OE1 3.35Å; R56-E82 IonicContact CZ-OE1 2.88Å; R56-E82 IonicContact NE-OE1 2.83Å; R56-E82 PolarHBondContact NE-OE1 3.03Å; R56-E82 IonicContact NH1-OE1 3.11Å; R56-E82 PolarHBondContact NH1-OE1 3.31Å; R56-I83 HydrophobicContact CB-CD1 4.28Å; R56-I83 HydrophobicContact CG-CD1 3.8Å; R56-M86 HydrophobicContact CB-CE 4.41Å; R56-M86 HydrophobicContact CG-SD 4.33Å
57E98.8Very high97.9Very high21 Ų2136.1 Ų36.110%0.09817%0.172CC..Hα-helixtrans-63.2-41.5-179.1-176.876.3-156.400111.5H53 L54 A59 E60 R61 A247 R248 V251H53-E57 WeakPolarHBondContact O-CB 3.34Å; H53-E57 PolarHBondContact O-N 2.89Å; L54-E57 PolarHBondContact O-N 3.45Å; E57-A59 VanDerWaalsContact C-N 3.32Å; E57-A59 PolarHBondContact O-N 2.85Å; E57-E60 PolarHBondContact O-N 3.11Å; E57-R61 HydrophobicContact CG-CG 4.32Å; E57-R61 WeakPolarHBondContact O-CB 3.38Å; E57-R61 WeakPolarHBondContact O-CG 3.44Å; E57-R61 PolarHBondContact O-N 2.83Å; E57-R61 IonicContact OE1-CZ 3.26Å; E57-R61 VanDerWaalsContact OE1-CZ 3.26Å; E57-R61 IonicContact OE1-NE 2.76Å; E57-R61 PolarHBondContact OE1-NE 3.32Å; E57-R61 IonicContact OE1-NH2 3.68Å; E57-R61 PolarHBondContact OE1-NH2 2.95Å; E57-A247 HydrophobicContact CB-CB 4.39Å; E57-R248 WeakPolarHBondContact OE2-CB 3.42Å; E57-V251 HydrophobicContact CB-CG2 3.87Å; E57-V251 HydrophobicContact CG-CB 3.65Å; E57-V251 HydrophobicContact CG-CG1 4.24Å; E57-V251 HydrophobicContact CG-CG2 3.44Å; E57-V251 VanDerWaalsContact CG-CG2 3.44Å
58F98.8Very high98.1Very high0 Ų035.9 Ų35.90%017%0.169CC..Hα-helixtrans-61.4-40.7174.5-85.3-68.4000111.8L36 V41 I43 L54 A55 R56 R61 G62 A63 I66 I119 V121 V251 V254L36-F58 HydrophobicContact CD1-CD1 3.94Å; L36-F58 HydrophobicContact CD1-CE1 4.21Å; V41-F58 HydrophobicContact CG1-CD1 4.25Å; V41-F58 HydrophobicContact CG1-CD2 3.83Å; V41-F58 HydrophobicContact CG1-CE1 4.3Å; V41-F58 HydrophobicContact CG1-CE2 3.9Å; V41-F58 HydrophobicContact CG1-CG 4.03Å; V41-F58 HydrophobicContact CG1-CZ 4.13Å; V41-F58 HydrophobicContact CG2-CB 4.49Å; V41-F58 HydrophobicContact CG2-CD1 3.86Å; V41-F58 HydrophobicContact CG2-CE1 4.25Å; V41-F58 HydrophobicContact CG2-CG 4.15Å; I43-F58 HydrophobicContact CD1-CD2 4.09Å; L54-F58 HydrophobicContact CD2-CE2 4.4Å; L54-F58 WeakPolarHBondContact O-CB 3.39Å; L54-F58 WeakPolarHBondContact O-CD2 3.46Å; L54-F58 PolarHBondContact O-N 2.78Å; A55-F58 PolarHBondContact O-N 3.31Å; R56-F58 PolarHBondContact O-N 3.21Å; F58-R61 PolarHBondContact O-N 2.98Å; F58-G62 PolarHBondContact O-N 3.04Å; F58-A63 HydrophobicContact CB-CB 4.05Å; F58-A63 WeakPolarHBondContact O-CB 3.44Å; F58-A63 PolarHBondContact O-N 3.46Å; F58-I66 HydrophobicContact CB-CD1 4Å; F58-I119 HydrophobicContact CE1-CD1 4.16Å; F58-I119 HydrophobicContact CE1-CG2 4.47Å; F58-I119 HydrophobicContact CZ-CG2 4.21Å; F58-V121 HydrophobicContact CE2-CG2 3.87Å; F58-V121 HydrophobicContact CZ-CG2 4.2Å; F58-V251 HydrophobicContact CD1-CG1 3.98Å; F58-V251 HydrophobicContact CD1-CG2 4.09Å; F58-V251 HydrophobicContact CD2-CG2 3.78Å; F58-V251 HydrophobicContact CE1-CB 4.49Å; F58-V251 HydrophobicContact CE1-CG1 3.94Å; F58-V251 HydrophobicContact CE1-CG2 4.02Å; F58-V251 HydrophobicContact CE2-CG2 3.69Å; F58-V251 HydrophobicContact CG-CG2 3.97Å; F58-V251 HydrophobicContact CZ-CG1 4.48Å; F58-V251 HydrophobicContact CZ-CG2 3.82Å; F58-V254 HydrophobicContact CE1-CG1 4.38Å; F58-V254 HydrophobicContact CZ-CG2 4.38Å
59A98.6Very high98.3Very high8 Ų832.5 Ų32.57%0.06616%0.157CC..Hα-helixtrans-65.1-46.3175.400000112.1A55 R56 E57 R61 G62 I66 I83 M86 T88A55-A59 WeakPolarHBondContact O-CB 3.46Å; A55-A59 PolarHBondContact O-N 3.2Å; R56-A59 WeakPolarHBondContact O-CB 3.31Å; R56-A59 PolarHBondContact O-N 3.16Å; R56-A59 VanDerWaalsContact O-N 3.15Å; E57-A59 VanDerWaalsContact C-N 3.32Å; E57-A59 PolarHBondContact O-N 2.85Å; A59-R61 PolarHBondContact O-N 3.3Å; A59-G62 PolarHBondContact O-N 3.5Å; A59-I66 HydrophobicContact CB-CD1 3.83Å; A59-I83 HydrophobicContact CB-CD1 4.18Å; A59-I83 HydrophobicContact CB-CG2 4.08Å; A59-M86 HydrophobicContact CB-CE 3.87Å; A59-M86 HydrophobicContact CB-SD 4.45Å; A59-T88 HydrophobicContact CB-CG2 4.24Å; A59-T88 WeakPolarHBondContact CB-OG1 3.31Å
60E98.3Very high98.4Very high117 Ų11731.7 Ų31.755%0.54715%0.148SC..Hα-helixtrans-59.3-33.8176.1-73.2172.3-167.600112R56 E57 G62 M86R56-E60 WeakPolarHBondContact O-CG 3.02Å; R56-E60 PolarHBondContact O-N 3.27Å; E57-E60 PolarHBondContact O-N 3.11Å; E60-G62 PolarHBondContact O-N 3.02Å; E60-M86 HydrophobicContact CG-CE 3.41Å; E60-M86 VanDerWaalsContact CG-CE 3.41Å
61R97.8Very high98.4Very high76 Ų7636.4 Ų36.429%0.28716%0.164SC..THydrogen-bonded Turntrans-83.84.8177.4-60.7-91.9-175.4166.2-2.8113.2L36 E57 F58 A59 V251 E252 Q255L36-R61 HydrophobicContact CD1-CB 3.76Å; E57-R61 HydrophobicContact CG-CG 4.32Å; E57-R61 WeakPolarHBondContact O-CB 3.38Å; E57-R61 WeakPolarHBondContact O-CG 3.44Å; E57-R61 PolarHBondContact O-N 2.83Å; E57-R61 IonicContact OE1-CZ 3.26Å; E57-R61 VanDerWaalsContact OE1-CZ 3.26Å; E57-R61 IonicContact OE1-NE 2.76Å; E57-R61 PolarHBondContact OE1-NE 3.32Å; E57-R61 IonicContact OE1-NH2 3.68Å; E57-R61 PolarHBondContact OE1-NH2 2.95Å; F58-R61 PolarHBondContact O-N 2.98Å; A59-R61 PolarHBondContact O-N 3.3Å; R61-V251 HydrophobicContact CB-CG1 4.29Å; R61-V251 HydrophobicContact CG-CG1 3.87Å; R61-E252 IonicContact NH2-OE1 3.29Å; R61-E252 PolarHBondContact NH2-OE1 3.13Å; R61-E252 VanDerWaalsContact NH2-OE1 3.11Å; R61-Q255 VanDerWaalsContact NH1-OE1 3.14Å
62G97.4Very high98.3Very high39 Ų3939.2 Ų39.240%0.40218%0.181SC..THydrogen-bonded Turntrans84.923.4172.500000115.2L36 S37 F58 A59 E60 R64L36-G62 CarbonylContact C-O 3.58Å; S37-G62 VanDerWaalsContact CA-O 3.22Å; S37-G62 WeakPolarHBondContact CA-O 3.37Å; F58-G62 PolarHBondContact O-N 3.04Å; A59-G62 PolarHBondContact O-N 3.5Å; E60-G62 PolarHBondContact O-N 3.02Å; G62-R64 PolarHBondContact O-N 3.39Å
63A98.4Very high98.3Very high4 Ų439.8 Ų39.83%0.03319%0.186CC..  trans-53.6132.8172.400000111L36 V41 F58 K65 I66 T88L36-A63 WeakPolarHBondContact O-CA 3.4Å; V41-A63 HydrophobicContact CG2-CB 3.93Å; F58-A63 HydrophobicContact CB-CB 4.05Å; F58-A63 WeakPolarHBondContact O-CB 3.44Å; F58-A63 PolarHBondContact O-N 3.46Å; A63-K65 PolarHBondContact O-N 3.3Å; A63-I66 HydrophobicContact CB-CG1 4.44Å; A63-T88 VanDerWaalsContact O-CG2 3.31Å; A63-T88 WeakPolarHBondContact O-CG2 3.38Å
64R98.1Very high98.3Very high154 Ų15445.1 Ų45.158%0.58121%0.209SC*.SBendtrans-61.9-46-177.2-170.2-172.3169.5-172-0.4112S37 E39 G62S37-R64 WeakPolarHBondContact O-CB 3.42Å; E39-R64 WeakPolarHBondContact O-CB 3.31Å; E39-R64 PolarHBondContact O-N 3.12Å; G62-R64 PolarHBondContact O-N 3.39Å
65K98.3Very high98.2Very high30 Ų3045.8 Ų45.813%0.1321%0.214CC..EExtended strand (participates in β ladder)trans-142.4146.4-175.4-54.2-169.4177.9-148.30111.2E39 V41 A63 E89 V114E39-K65 PolarHBondContact O-N 2.73Å; V41-K65 PolarHBondContact N-O 3.35Å; A63-K65 PolarHBondContact O-N 3.3Å; K65-E89 CarbonylContact C-O 3.54Å; K65-E89 VanDerWaalsContact CA-O 3.31Å; K65-E89 WeakPolarHBondContact CA-O 3.38Å; K65-E89 WeakPolarHBondContact CD-OE1 3.28Å; K65-E89 VanDerWaalsContact CE-CD 3.49Å; K65-E89 WeakPolarHBondContact CE-OE1 3.33Å; K65-E89 WeakPolarHBondContact CE-OE2 3.27Å; K65-E89 HydrophobicContact CG-CB 4.23Å; K65-E89 HydrophobicContact CG-CG 4.43Å; K65-E89 IonicContact NZ-OE1 3.4Å; K65-E89 PolarHBondContact NZ-OE1 3.18Å; K65-E89 IonicContact NZ-OE2 3Å; K65-E89 PolarHBondContact NZ-OE2 2.8Å; K65-E89 VanDerWaalsContact NZ-OE2 3.11Å; K65-V114 HydrophobicContact CD-CG1 3.92Å
66I98.9Very high98.2Very high0 Ų045.9 Ų45.90%021%0.214CC..EExtended strand (participates in β ladder)trans-125.5135.6174.6-61.1-174000110.1V41 I43 A55 F58 A59 A63 L68 I83 T88 E89 C90 H91V41-I66 CarbonylContact O-C 3.59Å; V41-I66 WeakPolarHBondContact O-CA 3.39Å; I43-I66 HydrophobicContact CD1-CG2 4.41Å; A55-I66 HydrophobicContact CB-CG2 4.21Å; A55-I66 WeakPolarHBondContact O-CD1 3.15Å; F58-I66 HydrophobicContact CB-CD1 4Å; A59-I66 HydrophobicContact CB-CD1 3.83Å; A63-I66 HydrophobicContact CB-CG1 4.44Å; I66-L68 HydrophobicContact CG2-CD2 3.56Å; I66-L68 HydrophobicContact CG2-CG 4.16Å; I66-I83 HydrophobicContact CB-CG2 4.42Å; I66-I83 HydrophobicContact CD1-CG2 3.94Å; I66-T88 HydrophobicContact CD1-CG2 4.13Å; I66-T88 HydrophobicContact CG1-CG2 3.99Å; I66-E89 PolarHBondContact N-O 2.88Å; I66-C90 CarbonylContact O-C 3.54Å; I66-C90 VanDerWaalsContact O-CA 3.27Å; I66-C90 WeakPolarHBondContact O-CA 3.46Å; I66-H91 PolarHBondContact O-N 3.43Å
67V98.9Very high98.2Very high0 Ų046.2 Ų46.20%022%0.218CC..EExtended strand (participates in β ladder)trans-123.6120176.2-177.10000108.9V41 L42 I43 H91 F93 V110 V114 I117V41-V67 PolarHBondContact O-N 2.73Å; L42-V67 CarbonylContact C-O 3.6Å; L42-V67 WeakPolarHBondContact CA-O 3.47Å; L42-V67 HydrophobicContact CB-CB 4.29Å; L42-V67 HydrophobicContact CD1-CB 4.38Å; L42-V67 HydrophobicContact CD1-CG1 4.06Å; L42-V67 HydrophobicContact CG-CB 4.16Å; L42-V67 HydrophobicContact CG-CG1 4.16Å; I43-V67 PolarHBondContact N-O 3.21Å; V67-H91 CarbonylContact C-O 3.44Å; V67-H91 WeakPolarHBondContact CA-O 3.04Å; V67-F93 HydrophobicContact CG1-CD2 3.65Å; V67-F93 HydrophobicContact CG1-CE2 3.77Å; V67-V110 HydrophobicContact CG1-CG1 4.49Å; V67-V110 HydrophobicContact CG1-CG2 4.03Å; V67-V114 HydrophobicContact CG2-CB 4.34Å; V67-V114 HydrophobicContact CG2-CG1 3.77Å; V67-V114 HydrophobicContact CG2-CG2 4.11Å; V67-I117 HydrophobicContact CG2-CD1 4.03Å
68L98.9Very high98.2Very high0 Ų049.1 Ų49.10%023%0.231CC..EExtended strand (participates in β ladder)trans-104.8125.5-178.3-52.4178.9000110.7I43 A55 I66 L76 T79 H91 Y92 F93I43-L68 HydrophobicContact CB-CD2 4.22Å; I43-L68 HydrophobicContact CD1-CD2 4.34Å; A55-L68 HydrophobicContact CB-CD2 3.73Å; I66-L68 HydrophobicContact CG2-CD2 3.56Å; I66-L68 HydrophobicContact CG2-CG 4.16Å; L68-L76 HydrophobicContact CB-CD2 3.8Å; L68-T79 HydrophobicContact CD1-CG2 3.52Å; L68-H91 PolarHBondContact N-O 2.91Å; L68-Y92 CarbonylContact O-C 3.56Å; L68-Y92 VanDerWaalsContact O-CA 3.23Å; L68-Y92 WeakPolarHBondContact O-CA 3.2Å; L68-F93 PolarHBondContact O-N 3.36Å
69W98.8Very high98.2Very high0 Ų049.1 Ų49.10%023%0.231CC..EExtended strand (participates in β ladder)trans-107.4144.6171.4-76.116.7000110.8L42 I43 T44 G45 G46 F93 C95 V97 V103 M106 A107 V110 T154 F158L42-W69 HydrophobicContact CD1-CD2 4.32Å; L42-W69 HydrophobicContact CD1-CZ2 3.95Å; L42-W69 HydrophobicContact CD2-CD2 4.08Å; L42-W69 HydrophobicContact CD2-CE3 4.45Å; L42-W69 HydrophobicContact CD2-CG 4.2Å; I43-W69 PolarHBondContact O-N 2.77Å; T44-W69 HydrophobicContact CG2-CB 4.48Å; T44-W69 HydrophobicContact CG2-CE3 4.32Å; G45-W69 WeakPolarHBondContact CA-O 3.01Å; G45-W69 PolarHBondContact N-O 3.19Å; G46-W69 PolarHBondContact N-O 3.46Å; G46-W69 VanDerWaalsContact N-O 3.12Å; W69-F93 WeakPolarHBondContact CA-O 3.43Å; W69-F93 AromaticContact NE1-CD2 3.9Å; W69-C95 HydrophobicContact CB-CB 4.38Å; W69-C95 HydrophobicContact CD2-CB 4.01Å; W69-C95 HydrophobicContact CE3-CB 3.92Å; W69-C95 VanDerWaalsContact CE3-SG 3.52Å; W69-C95 HydrophobicContact CG-CB 4.24Å; W69-V97 HydrophobicContact CE3-CG1 4.22Å; W69-V103 HydrophobicContact CH2-CG1 4.5Å; W69-V103 WeakPolarHBondContact CH2-O 3.37Å; W69-V103 HydrophobicContact CZ3-CB 4.47Å; W69-V103 HydrophobicContact CZ3-CG1 4.16Å; W69-V103 HydrophobicContact CZ3-CG2 4.36Å; W69-M106 HydrophobicContact CH2-CB 3.84Å; W69-M106 HydrophobicContact CZ2-CB 3.63Å; W69-A107 HydrophobicContact CH2-CB 4.19Å; W69-V110 HydrophobicContact CZ2-CG2 3.86Å; W69-T154 HydrophobicContact CZ3-CG2 4.12Å; W69-F158 AromaticContact CH2-CE2 3.91Å; W69-F158 HydrophobicContact CH2-CE2 3.91Å; W69-F158 AromaticContact CH2-CZ 3.82Å; W69-F158 HydrophobicContact CH2-CZ 3.82Å; W69-F158 HydrophobicContact CZ2-CE2 4.27Å; W69-F158 AromaticContact CZ2-CZ 3.79Å; W69-F158 HydrophobicContact CZ2-CZ 3.79Å; W69-F158 HydrophobicContact CZ3-CE2 4.47Å
70G98Very high98.2Very high12 Ų1248.9 Ų48.912%0.12423%0.229CC..EExtended strand (participates in β ladder)trans173-179.1173.500000112.1F93 I94 C95G70-F93 PolarHBondContact N-O 3.28Å; G70-I94 CarbonylContact O-C 3.48Å; G70-I94 VanDerWaalsContact O-CA 3.27Å; G70-I94 WeakPolarHBondContact O-CA 3.21Å; G70-C95 CarbonylContact C-O 3.57Å; G70-C95 PolarHBondContact O-N 3.08Å
71R96.9Very high98.2Very high125 Ų12547.7 Ų47.747%0.47222%0.224SC..SBendtrans-99.6-26-173.2-57.9-179.8-56.9168.23.6113.9E73 D96R71-E73 PolarHBondContact O-N 3.45Å; R71-D96 WeakPolarHBondContact CD-OD2 3.49Å; R71-D96 HydrophobicContact CG-CB 4.11Å; R71-D96 IonicContact NE-OD2 3.79Å; R71-D96 IonicContact NH1-OD2 2.78Å; R71-D96 PolarHBondContact NH1-OD2 2.93Å
72T97.2Very high98.3Very high59 Ų5946.2 Ų46.236%0.36222%0.22SC..  trans-97.397.9-176.2-48.20000109.8K74 C75 L76T72-K74 VanDerWaalsContact C-N 3.3Å; T72-K74 PolarHBondContact O-N 3.14Å; T72-C75 HydrophobicContact CG2-CB 4.35Å; T72-C75 PolarHBondContact O-N 3.23Å; T72-C75 VanDerWaalsContact O-N 3.16Å; T72-L76 PolarHBondContact O-N 3.38Å
73E97.9Very high98.3Very high70 Ų7044.4 Ų44.433%0.32720%0.201SC..Hα-helixtrans-55.1-43.5-175.2-162-165.9-164.100112.7R71 C75 L76 K77 Y92 I94R71-E73 PolarHBondContact O-N 3.45Å; E73-C75 VanDerWaalsContact C-N 3.32Å; E73-C75 PolarHBondContact O-N 3.36Å; E73-L76 WeakPolarHBondContact O-CB 3.35Å; E73-L76 PolarHBondContact O-N 2.86Å; E73-L76 VanDerWaalsContact O-N 3.09Å; E73-K77 HydrophobicContact CG-CD 4.22Å; E73-K77 HydrophobicContact CG-CG 4.34Å; E73-K77 PolarHBondContact O-N 3.27Å; E73-K77 WeakPolarHBondContact OE1-CE 3.43Å; E73-K77 IonicContact OE1-NZ 3.99Å; E73-K77 PolarHBondContact OE1-NZ 2.99Å; E73-K77 IonicContact OE2-NZ 3.22Å; E73-K77 PolarHBondContact OE2-NZ 2.88Å; E73-Y92 HydrophobicContact CG-CE2 3.67Å; E73-Y92 PolarHBondContact OE1-OH 3.4Å; E73-I94 HydrophobicContact CB-CD1 3.8Å; E73-I94 HydrophobicContact CB-CG1 4.21Å; E73-I94 HydrophobicContact CG-CD1 3.75Å; E73-I94 HydrophobicContact CG-CG1 4.1Å
74K98.2Very high98.3Very high147 Ų14749.8 Ų49.864%0.63922%0.221SC*.Hα-helixtrans-52.3-48.7178.4-178179.5175.6-178.80112.3T72 L76 K77 E78T72-K74 VanDerWaalsContact C-N 3.3Å; T72-K74 PolarHBondContact O-N 3.14Å; K74-L76 VanDerWaalsContact C-N 3.33Å; K74-L76 PolarHBondContact O-N 3.06Å; K74-K77 PolarHBondContact O-N 2.93Å; K74-E78 WeakPolarHBondContact CE-OE1 3.45Å; K74-E78 WeakPolarHBondContact CG-OE1 3.35Å; K74-E78 WeakPolarHBondContact O-CG 3.41Å; K74-E78 PolarHBondContact O-N 3.14Å
75C97.6Very high98.3Very high14 Ų1449.4 Ų49.410%0.09523%0.225CC..Hα-helixtrans-69-32.9-179.1-61.20000112.8G47 R48 R52 T72 E73 T79G47-C75 WeakPolarHBondContact O-CB 3.42Å; R48-C75 PolarHBondContact NH2-SG 2.8Å; R52-C75 PolarHBondContact NH2-O 2.98Å; T72-C75 HydrophobicContact CG2-CB 4.35Å; T72-C75 PolarHBondContact O-N 3.23Å; T72-C75 VanDerWaalsContact O-N 3.16Å; E73-C75 VanDerWaalsContact C-N 3.32Å; E73-C75 PolarHBondContact O-N 3.36Å; C75-T79 PolarHBondContact O-N 3.35Å; C75-T79 VanDerWaalsContact O-N 3.13Å; C75-T79 PolarHBondContact O-OG1 2.82Å
76L98.6Very high98.3Very high2 Ų251.2 Ų51.21%0.0124%0.235CC..Hα-helixtrans-68.2-44.6174.3-68.7172.3000111.2L68 T72 E73 K74 T79 T80 Y92L68-L76 HydrophobicContact CB-CD2 3.8Å; T72-L76 PolarHBondContact O-N 3.38Å; E73-L76 WeakPolarHBondContact O-CB 3.35Å; E73-L76 PolarHBondContact O-N 2.86Å; E73-L76 VanDerWaalsContact O-N 3.09Å; K74-L76 VanDerWaalsContact C-N 3.33Å; K74-L76 PolarHBondContact O-N 3.06Å; L76-T79 PolarHBondContact O-N 2.68Å; L76-T80 VanDerWaalsContact O-CB 3.3Å; L76-T80 WeakPolarHBondContact O-CB 3.31Å; L76-T80 PolarHBondContact O-N 2.95Å; L76-T80 PolarHBondContact O-OG1 2.92Å; L76-Y92 HydrophobicContact CB-CD2 3.88Å; L76-Y92 HydrophobicContact CB-CG 3.88Å; L76-Y92 HydrophobicContact CD1-CD2 4.11Å
77K98.5Very high98.3Very high92 Ų9254.6 Ų54.640%0.427%0.27SS..Hα-helixtrans-58.1-51175.3-78.2176.8174.2162.50111.3E73 K74 T79 T80 E81 Y92E73-K77 HydrophobicContact CG-CD 4.22Å; E73-K77 HydrophobicContact CG-CG 4.34Å; E73-K77 PolarHBondContact O-N 3.27Å; E73-K77 WeakPolarHBondContact OE1-CE 3.43Å; E73-K77 IonicContact OE1-NZ 3.99Å; E73-K77 PolarHBondContact OE1-NZ 2.99Å; E73-K77 IonicContact OE2-NZ 3.22Å; E73-K77 PolarHBondContact OE2-NZ 2.88Å; K74-K77 PolarHBondContact O-N 2.93Å; K77-T79 VanDerWaalsContact C-N 3.34Å; K77-T79 PolarHBondContact O-N 3.24Å; K77-T80 PolarHBondContact O-N 3.08Å; K77-E81 WeakPolarHBondContact O-CB 3.23Å; K77-E81 PolarHBondContact O-N 3.08Å; K77-Y92 WeakPolarHBondContact CE-OH 3.39Å; K77-Y92 HydrophobicContact CG-CD1 4.42Å; K77-Y92 HydrophobicContact CG-CE1 3.61Å; K77-Y92 HydrophobicContact CG-CE2 4.31Å
78E98.5Very high98.2Very high82 Ų8255.2 Ų55.238%0.38327%0.274SS..Hα-helixtrans-54.5-49.2176.8-73.7167.3-172.800111.9R52 K74 E81 E82R52-E78 IonicContact NH2-OE2 2.77Å; R52-E78 PolarHBondContact NH2-OE2 3.39Å; R52-E78 VanDerWaalsContact NH2-OE2 3.14Å; K74-E78 WeakPolarHBondContact CE-OE1 3.45Å; K74-E78 WeakPolarHBondContact CG-OE1 3.35Å; K74-E78 WeakPolarHBondContact O-CG 3.41Å; K74-E78 PolarHBondContact O-N 3.14Å; E78-E81 PolarHBondContact O-N 3.03Å; E78-E82 PolarHBondContact O-N 3.05Å; E78-E82 VanDerWaalsContact O-N 3.07Å
79T98.6Very high98.2Very high0 Ų059 Ų590%029%0.291CS..Hα-helixtrans-67.3-40.5-179.8-490000111.3G47 R52 A55 L68 C75 L76 K77 E81 E82 I83G47-T79 WeakPolarHBondContact CA-OG1 3.23Å; G47-T79 PolarHBondContact O-OG1 2.79Å; R52-T79 HydrophobicContact CB-CG2 4.18Å; R52-T79 HydrophobicContact CG-CG2 3.74Å; R52-T79 PolarHBondContact NE-OG1 2.97Å; R52-T79 PolarHBondContact NH2-OG1 3.03Å; A55-T79 HydrophobicContact CB-CG2 4.31Å; L68-T79 HydrophobicContact CD1-CG2 3.52Å; C75-T79 PolarHBondContact O-N 3.35Å; C75-T79 VanDerWaalsContact O-N 3.13Å; C75-T79 PolarHBondContact O-OG1 2.82Å; L76-T79 PolarHBondContact O-N 2.68Å; K77-T79 VanDerWaalsContact C-N 3.34Å; K77-T79 PolarHBondContact O-N 3.24Å; T79-E81 VanDerWaalsContact C-N 3.31Å; T79-E81 PolarHBondContact O-N 2.95Å; T79-E82 WeakPolarHBondContact O-CB 3.43Å; T79-E82 PolarHBondContact O-N 2.83Å; T79-I83 HydrophobicContact CG2-CG1 4.39Å; T79-I83 VanDerWaalsContact O-CG1 3.31Å; T79-I83 WeakPolarHBondContact O-CG1 3.35Å; T79-I83 PolarHBondContact O-N 2.98Å
80T98.8Very high98.2Very high3 Ų359 Ų592%0.01829%0.291CS..Hα-helixtrans-61.7-42.1179.1-58.80000111.3L76 K77 I83 R84 C90 Y92L76-T80 VanDerWaalsContact O-CB 3.3Å; L76-T80 WeakPolarHBondContact O-CB 3.31Å; L76-T80 PolarHBondContact O-N 2.95Å; L76-T80 PolarHBondContact O-OG1 2.92Å; K77-T80 PolarHBondContact O-N 3.08Å; T80-I83 PolarHBondContact O-N 3.04Å; T80-R84 VanDerWaalsContact O-CG 3.28Å; T80-R84 WeakPolarHBondContact O-CG 3.41Å; T80-R84 PolarHBondContact O-N 3.04Å; T80-C90 HydrophobicContact CG2-CB 3.85Å; T80-C90 WeakPolarHBondContact CG2-O 3.31Å; T80-Y92 HydrophobicContact CG2-CD1 4.15Å; T80-Y92 WeakPolarHBondContact OG1-CD1 3.28Å
81E98.6Very high98.3Very high92 Ų9260.7 Ų60.743%0.4330%0.296SS..Hα-helixtrans-65.8-43.8177.8-175.454.6-148.400111.4K77 E78 T79 I83 R84 Q85K77-E81 WeakPolarHBondContact O-CB 3.23Å; K77-E81 PolarHBondContact O-N 3.08Å; E78-E81 PolarHBondContact O-N 3.03Å; T79-E81 VanDerWaalsContact C-N 3.31Å; T79-E81 PolarHBondContact O-N 2.95Å; E81-I83 VanDerWaalsContact C-N 3.35Å; E81-I83 PolarHBondContact O-N 2.96Å; E81-R84 PolarHBondContact O-N 3.38Å; E81-Q85 VanDerWaalsContact O-CG 3.31Å; E81-Q85 WeakPolarHBondContact O-CG 3.42Å; E81-Q85 PolarHBondContact O-N 3.25Å; E81-Q85 PolarHBondContact OE1-NE2 2.95Å
82E98.4Very high98.3Very high46 Ų4658 Ų5822%0.21529%0.286CS..Hα-helixtrans-54.9-48.4173-178.9179.1-169.100111.7R56 E78 T79 R84 Q85 M86R56-E82 WeakPolarHBondContact CD-OE1 3.35Å; R56-E82 IonicContact CZ-OE1 2.88Å; R56-E82 IonicContact NE-OE1 2.83Å; R56-E82 PolarHBondContact NE-OE1 3.03Å; R56-E82 IonicContact NH1-OE1 3.11Å; R56-E82 PolarHBondContact NH1-OE1 3.31Å; E78-E82 PolarHBondContact O-N 3.05Å; E78-E82 VanDerWaalsContact O-N 3.07Å; T79-E82 WeakPolarHBondContact O-CB 3.43Å; T79-E82 PolarHBondContact O-N 2.83Å; E82-R84 PolarHBondContact O-N 3.17Å; E82-Q85 PolarHBondContact O-N 3.35Å; E82-M86 WeakPolarHBondContact O-CG 3.2Å; E82-M86 PolarHBondContact O-N 2.93Å
83I98.7Very high98.4Very high0 Ų056 Ų560%027%0.273CS..Hα-helixtrans-65.9-37.3178.9-62-51.1000112.3A55 R56 A59 I66 T79 T80 E81 Q85 M86 T88 C90A55-I83 VanDerWaalsContact C-CD1 3.47Å; A55-I83 HydrophobicContact CB-CD1 3.95Å; A55-I83 HydrophobicContact CB-CG1 4.09Å; R56-I83 HydrophobicContact CB-CD1 4.28Å; R56-I83 HydrophobicContact CG-CD1 3.8Å; A59-I83 HydrophobicContact CB-CD1 4.18Å; A59-I83 HydrophobicContact CB-CG2 4.08Å; I66-I83 HydrophobicContact CB-CG2 4.42Å; I66-I83 HydrophobicContact CD1-CG2 3.94Å; T79-I83 HydrophobicContact CG2-CG1 4.39Å; T79-I83 VanDerWaalsContact O-CG1 3.31Å; T79-I83 WeakPolarHBondContact O-CG1 3.35Å; T79-I83 PolarHBondContact O-N 2.98Å; T80-I83 PolarHBondContact O-N 3.04Å; E81-I83 VanDerWaalsContact C-N 3.35Å; E81-I83 PolarHBondContact O-N 2.96Å; I83-Q85 VanDerWaalsContact C-N 3.34Å; I83-M86 HydrophobicContact CD1-SD 3.9Å; I83-M86 WeakPolarHBondContact O-CB 3.34Å; I83-M86 PolarHBondContact O-N 3.29Å; I83-T88 HydrophobicContact CG2-CG2 4Å; I83-T88 PolarHBondContact O-N 2.91Å; I83-C90 HydrophobicContact CB-CB 3.86Å; I83-C90 HydrophobicContact CG2-CB 3.62Å
84R98.6Very high98.4Very high118 Ų11856.8 Ų56.845%0.44528%0.278SS..Hα-helixtrans-65.7-38176.3-75.7171.8179.9179.4-1.8112T80 E81 E82 M86 G87 C90T80-R84 VanDerWaalsContact O-CG 3.28Å; T80-R84 WeakPolarHBondContact O-CG 3.41Å; T80-R84 PolarHBondContact O-N 3.04Å; E81-R84 PolarHBondContact O-N 3.38Å; E82-R84 PolarHBondContact O-N 3.17Å; R84-M86 PolarHBondContact O-N 3.44Å; R84-G87 WeakPolarHBondContact O-CA 3.35Å; R84-G87 PolarHBondContact O-N 2.9Å; R84-C90 HydrophobicContact CG-CB 4.11Å; R84-C90 VanDerWaalsContact CZ-O 3.29Å; R84-C90 PolarHBondContact NE-O 3.44Å; R84-C90 PolarHBondContact NH2-O 3.37Å
85Q98.4Very high98.5Very high145 Ų14549.9 Ų49.968%0.67825%0.248SC*.Hα-helixtrans-64.5-25.8175.1-71.4171.77.500112.5E81 E82 I83 G87E81-Q85 VanDerWaalsContact O-CG 3.31Å; E81-Q85 WeakPolarHBondContact O-CG 3.42Å; E81-Q85 PolarHBondContact O-N 3.25Å; E81-Q85 PolarHBondContact OE1-NE2 2.95Å; E82-Q85 PolarHBondContact O-N 3.35Å; I83-Q85 VanDerWaalsContact C-N 3.34Å; Q85-G87 PolarHBondContact O-N 3.42Å
86M97.9Very high98.5Very high69 Ų6951.1 Ų51.134%0.3425%0.254SS..THydrogen-bonded Turntrans-77.5-0.6171.2-59.6164.767.400113.1R56 A59 E60 E82 I83 R84R56-M86 HydrophobicContact CB-CE 4.41Å; R56-M86 HydrophobicContact CG-SD 4.33Å; A59-M86 HydrophobicContact CB-CE 3.87Å; A59-M86 HydrophobicContact CB-SD 4.45Å; E60-M86 HydrophobicContact CG-CE 3.41Å; E60-M86 VanDerWaalsContact CG-CE 3.41Å; E82-M86 WeakPolarHBondContact O-CG 3.2Å; E82-M86 PolarHBondContact O-N 2.93Å; I83-M86 HydrophobicContact CD1-SD 3.9Å; I83-M86 WeakPolarHBondContact O-CB 3.34Å; I83-M86 PolarHBondContact O-N 3.29Å; R84-M86 PolarHBondContact O-N 3.44Å
87G97.9Very high98.5Very high70 Ų7051.5 Ų51.572%0.72226%0.256SS*.THydrogen-bonded Turntrans86.39.7178.200000115R84 Q85R84-G87 WeakPolarHBondContact O-CA 3.35Å; R84-G87 PolarHBondContact O-N 2.9Å; Q85-G87 PolarHBondContact O-N 3.42Å
88T98.4Very high98.4Very high14 Ų1447.8 Ų47.89%0.08624%0.244CC..  trans-99.9135.4179.6-610000111.4A59 A63 I66 I83 C90A59-T88 HydrophobicContact CB-CG2 4.24Å; A59-T88 WeakPolarHBondContact CB-OG1 3.31Å; A63-T88 VanDerWaalsContact O-CG2 3.31Å; A63-T88 WeakPolarHBondContact O-CG2 3.38Å; I66-T88 HydrophobicContact CD1-CG2 4.13Å; I66-T88 HydrophobicContact CG1-CG2 3.99Å; I83-T88 HydrophobicContact CG2-CG2 4Å; I83-T88 PolarHBondContact O-N 2.91Å; T88-C90 PolarHBondContact O-N 2.77Å; T88-C90 VanDerWaalsContact O-N 3.16Å
89E98.4Very high98.4Very high78 Ų7846.4 Ų46.436%0.36424%0.24SC..EExtended strand (participates in β ladder)trans-63.4117.3174.3-175.1-172.8147.600109.6K65 I66 H91K65-E89 CarbonylContact C-O 3.54Å; K65-E89 VanDerWaalsContact CA-O 3.31Å; K65-E89 WeakPolarHBondContact CA-O 3.38Å; K65-E89 WeakPolarHBondContact CD-OE1 3.28Å; K65-E89 VanDerWaalsContact CE-CD 3.49Å; K65-E89 WeakPolarHBondContact CE-OE1 3.33Å; K65-E89 WeakPolarHBondContact CE-OE2 3.27Å; K65-E89 HydrophobicContact CG-CB 4.23Å; K65-E89 HydrophobicContact CG-CG 4.43Å; K65-E89 IonicContact NZ-OE1 3.4Å; K65-E89 PolarHBondContact NZ-OE1 3.18Å; K65-E89 IonicContact NZ-OE2 3Å; K65-E89 PolarHBondContact NZ-OE2 2.8Å; K65-E89 VanDerWaalsContact NZ-OE2 3.11Å; I66-E89 PolarHBondContact N-O 2.88Å; E89-H91 IonicContact OE1-CD2 2.69Å; E89-H91 IonicContact OE1-CE1 3.17Å; E89-H91 IonicContact OE1-NE2 3.76Å; E89-H91 PolarHBondContact OE1-NE2 3.37Å
90C98.8Very high98.4Very high1 Ų152.4 Ų52.41%0.00726%0.262CS..EExtended strand (participates in β ladder)trans-127.5136.5-179.7-162.70000112.1I66 T80 I83 R84 T88I66-C90 CarbonylContact O-C 3.54Å; I66-C90 VanDerWaalsContact O-CA 3.27Å; I66-C90 WeakPolarHBondContact O-CA 3.46Å; T80-C90 HydrophobicContact CG2-CB 3.85Å; T80-C90 WeakPolarHBondContact CG2-O 3.31Å; I83-C90 HydrophobicContact CB-CB 3.86Å; I83-C90 HydrophobicContact CG2-CB 3.62Å; R84-C90 HydrophobicContact CG-CB 4.11Å; R84-C90 VanDerWaalsContact CZ-O 3.29Å; R84-C90 PolarHBondContact NE-O 3.44Å; R84-C90 PolarHBondContact NH2-O 3.37Å; T88-C90 PolarHBondContact O-N 2.77Å; T88-C90 VanDerWaalsContact O-N 3.16Å
91H98.6Very high98.4Very high48 Ų4857.2 Ų57.222%0.22228%0.284CS..EExtended strand (participates in β ladder)trans-124.9154.2174-59.1-85.4000109.9I66 V67 L68 E89 F93 V114I66-H91 PolarHBondContact O-N 3.43Å; V67-H91 CarbonylContact C-O 3.44Å; V67-H91 WeakPolarHBondContact CA-O 3.04Å; L68-H91 PolarHBondContact N-O 2.91Å; E89-H91 IonicContact OE1-CD2 2.69Å; E89-H91 IonicContact OE1-CE1 3.17Å; E89-H91 IonicContact OE1-NE2 3.76Å; E89-H91 PolarHBondContact OE1-NE2 3.37Å; H91-F93 HydrophobicContact CB-CE2 4.04Å; H91-V114 HydrophobicContact CB-CG2 4.19Å
92Y98.7Very high98.4Very high67 Ų6755.9 Ų55.926%0.26328%0.278SS..EExtended strand (participates in β ladder)trans-130.1152.316972.7-90.2000111.7L68 E73 L76 K77 T80L68-Y92 CarbonylContact O-C 3.56Å; L68-Y92 VanDerWaalsContact O-CA 3.23Å; L68-Y92 WeakPolarHBondContact O-CA 3.2Å; E73-Y92 HydrophobicContact CG-CE2 3.67Å; E73-Y92 PolarHBondContact OE1-OH 3.4Å; L76-Y92 HydrophobicContact CB-CD2 3.88Å; L76-Y92 HydrophobicContact CB-CG 3.88Å; L76-Y92 HydrophobicContact CD1-CD2 4.11Å; K77-Y92 WeakPolarHBondContact CE-OH 3.39Å; K77-Y92 HydrophobicContact CG-CD1 4.42Å; K77-Y92 HydrophobicContact CG-CE1 3.61Å; K77-Y92 HydrophobicContact CG-CE2 4.31Å; T80-Y92 HydrophobicContact CG2-CD1 4.15Å; T80-Y92 WeakPolarHBondContact OG1-CD1 3.28Å
93F98.6Very high98.4Very high19 Ų1953.7 Ų53.78%0.08327%0.268CS..EExtended strand (participates in β ladder)trans-134.3136174.8-63.2-100.4000108.9V67 L68 W69 G70 H91 C95 M106 A109 V110 K113 V114V67-F93 HydrophobicContact CG1-CD2 3.65Å; V67-F93 HydrophobicContact CG1-CE2 3.77Å; L68-F93 PolarHBondContact O-N 3.36Å; W69-F93 WeakPolarHBondContact CA-O 3.43Å; W69-F93 AromaticContact NE1-CD2 3.9Å; G70-F93 PolarHBondContact N-O 3.28Å; H91-F93 HydrophobicContact CB-CE2 4.04Å; F93-C95 PolarHBondContact O-N 3.26Å; F93-M106 HydrophobicContact CB-SD 4.3Å; F93-M106 HydrophobicContact CD1-SD 4.19Å; F93-A109 HydrophobicContact CD1-CB 4.48Å; F93-A109 HydrophobicContact CE1-CB 4.11Å; F93-V110 HydrophobicContact CD1-CG2 4.37Å; F93-V110 HydrophobicContact CD2-CG2 3.74Å; F93-V110 HydrophobicContact CE1-CG2 4.23Å; F93-V110 HydrophobicContact CE2-CG2 3.62Å; F93-V110 HydrophobicContact CG-CG2 4.14Å; F93-V110 HydrophobicContact CZ-CG2 3.87Å; F93-K113 HydrophobicContact CE1-CD 4.15Å; F93-K113 HydrophobicContact CZ-CB 4.43Å; F93-K113 HydrophobicContact CZ-CD 4.29Å; F93-V114 HydrophobicContact CE2-CG2 4.08Å; F93-V114 HydrophobicContact CZ-CG2 4.13Å
94I98.6Very high98.5Very high86 Ų8657.7 Ų57.744%0.44128%0.283SS..EExtended strand (participates in β ladder)trans-77.2120.6171.2-55.4173.8000107G70 E73G70-I94 CarbonylContact O-C 3.48Å; G70-I94 VanDerWaalsContact O-CA 3.27Å; G70-I94 WeakPolarHBondContact O-CA 3.21Å; E73-I94 HydrophobicContact CB-CD1 3.8Å; E73-I94 HydrophobicContact CB-CG1 4.21Å; E73-I94 HydrophobicContact CG-CD1 3.75Å; E73-I94 HydrophobicContact CG-CG1 4.1Å
95C98.4Very high98.4Very high2 Ų258.1 Ų58.11%0.01429%0.291CS..  trans-153.2125.2-178.4-1770000109.6W69 G70 F93 M106W69-C95 HydrophobicContact CB-CB 4.38Å; W69-C95 HydrophobicContact CD2-CB 4.01Å; W69-C95 HydrophobicContact CE3-CB 3.92Å; W69-C95 VanDerWaalsContact CE3-SG 3.52Å; W69-C95 HydrophobicContact CG-CB 4.24Å; G70-C95 CarbonylContact C-O 3.57Å; G70-C95 PolarHBondContact O-N 3.08Å; F93-C95 PolarHBondContact O-N 3.26Å; C95-M106 HydrophobicContact CB-CB 4.36Å; C95-M106 HydrophobicContact CB-CG 3.96Å
96D98.3Very high98.5Very high40 Ų4052.9 Ų52.921%0.21427%0.266CS..  trans-85.5108.9161.5-162.3-26.1000109.7R71 G98 N99 E102R71-D96 WeakPolarHBondContact CD-OD2 3.49Å; R71-D96 HydrophobicContact CG-CB 4.11Å; R71-D96 IonicContact NE-OD2 3.79Å; R71-D96 IonicContact NH1-OD2 2.78Å; R71-D96 PolarHBondContact NH1-OD2 2.93Å; D96-G98 PolarHBondContact O-N 2.88Å; D96-G98 WeakPolarHBondContact OD1-CA 3.18Å; D96-G98 PolarHBondContact OD1-N 2.8Å; D96-N99 HydrophobicContact CB-CB 4.36Å; D96-N99 PolarHBondContact O-N 3.4Å; D96-E102 PolarHBondContact N-OE2 3.07Å
97V98.4Very high98.5Very high10 Ų1049.8 Ų49.86%0.06125%0.252CS..THydrogen-bonded Turntrans-66.7-14177.3-62.70000113.3T44 W69 V103 A124 V146 G150 W153T44-V97 HydrophobicContact CG2-CG1 3.95Å; W69-V97 HydrophobicContact CE3-CG1 4.22Å; V97-V103 HydrophobicContact CB-CG2 4.34Å; V97-A124 HydrophobicContact CG2-CB 3.62Å; V97-V146 HydrophobicContact CG2-CG1 3.97Å; V97-G150 WeakPolarHBondContact O-CA 3.2Å; V97-W153 VanDerWaalsContact O-CE3 3.26Å; V97-W153 VanDerWaalsContact O-CZ3 3.22Å; V97-W153 WeakPolarHBondContact O-CZ3 3.39Å
98G97.8Very high98.5Very high14 Ų1452.9 Ų52.914%0.14425%0.245CC..THydrogen-bonded Turntrans-76.9-7.1170.700000113.7D96 H145 W153D96-G98 PolarHBondContact O-N 2.88Å; D96-G98 WeakPolarHBondContact OD1-CA 3.18Å; D96-G98 PolarHBondContact OD1-N 2.8Å; G98-H145 PolarHBondContact O-ND1 3Å; G98-W153 VanDerWaalsContact C-CZ3 3.48Å; G98-W153 WeakPolarHBondContact O-CZ3 3.29Å
99N98.5Very high98.5Very high53 Ų5353 Ų5328%0.28325%0.248SC..  trans-109114.3175-177.8-27000110.2D96 E101 E102 V103D96-N99 HydrophobicContact CB-CB 4.36Å; D96-N99 PolarHBondContact O-N 3.4Å; N99-E101 PolarHBondContact O-N 2.69Å; N99-E101 PolarHBondContact OD1-N 3Å; N99-E101 VanDerWaalsContact OD1-N 3.08Å; N99-E101 PolarHBondContact OD1-OE2 3.41Å; N99-E102 HydrophobicContact CB-CB 3.99Å; N99-E102 HydrophobicContact CB-CG 4.08Å; N99-E102 PolarHBondContact ND2-OE1 3.42Å; N99-E102 PolarHBondContact O-N 3.29Å; N99-E102 PolarHBondContact OD1-N 3.42Å; N99-V103 WeakPolarHBondContact O-CG2 3.32Å; N99-V103 PolarHBondContact O-N 2.82Å; N99-V103 VanDerWaalsContact O-N 3.12Å
100R98.6Very high98.5Very high126 Ų12649.2 Ų49.248%0.47523%0.23SC..Hα-helixtrans-61.8-45.6-176.2-178.6-177.469.7171.50.9112.4V103 Y104 W153R100-V103 PolarHBondContact O-N 2.94Å; R100-Y104 HydrophobicContact CG-CD2 3.87Å; R100-Y104 HydrophobicContact CG-CE2 3.49Å; R100-Y104 VanDerWaalsContact CG-CE2 3.49Å; R100-Y104 WeakPolarHBondContact O-CD2 3.42Å; R100-Y104 PolarHBondContact O-N 3.44Å; R100-W153 HydrophobicContact CB-CD2 3.74Å; R100-W153 HydrophobicContact CB-CE3 4.01Å; R100-W153 HydrophobicContact CB-CG 4.29Å; R100-W153 HydrophobicContact CB-CH2 4.14Å; R100-W153 HydrophobicContact CB-CZ2 3.86Å; R100-W153 HydrophobicContact CB-CZ3 4.22Å; R100-W153 HydrophobicContact CG-CD2 3.9Å; R100-W153 HydrophobicContact CG-CG 3.92Å; R100-W153 HydrophobicContact CG-CZ2 4.42Å
101E98.6Very high98.4Very high103 Ų10354.9 Ų54.948%0.48125%0.252SS..Hα-helixtrans-64.6-43.4-177.2-71.263-140.700110.5N99 V103 Y104 Q105N99-E101 PolarHBondContact O-N 2.69Å; N99-E101 PolarHBondContact OD1-N 3Å; N99-E101 VanDerWaalsContact OD1-N 3.08Å; N99-E101 PolarHBondContact OD1-OE2 3.41Å; E101-V103 PolarHBondContact O-N 3.07Å; E101-Y104 PolarHBondContact O-N 2.93Å; E101-Q105 WeakPolarHBondContact O-CB 3.48Å; E101-Q105 PolarHBondContact O-N 3.01Å
102E98.4Very high98.4Very high65 Ų6559 Ų5930%0.30427%0.271SS..Hα-helixtrans-60.3-43.2174.5-77.7-178.2-131.400112.2D96 N99 Y104 Q105 M106D96-E102 PolarHBondContact N-OE2 3.07Å; N99-E102 HydrophobicContact CB-CB 3.99Å; N99-E102 HydrophobicContact CB-CG 4.08Å; N99-E102 PolarHBondContact ND2-OE1 3.42Å; N99-E102 PolarHBondContact O-N 3.29Å; N99-E102 PolarHBondContact OD1-N 3.42Å; E102-Y104 PolarHBondContact O-N 3.3Å; E102-Q105 PolarHBondContact O-N 2.96Å; E102-M106 WeakPolarHBondContact O-CB 3.37Å; E102-M106 VanDerWaalsContact O-CG 3.32Å; E102-M106 WeakPolarHBondContact O-CG 3.45Å; E102-M106 PolarHBondContact O-N 3.32Å
103V98.8Very high98.3Very high0 Ų063.2 Ų63.20%029%0.291CS..Hα-helixtrans-58-49178167.40000111.2W69 V97 N99 R100 E101 A107 W153 T154W69-V103 HydrophobicContact CH2-CG1 4.5Å; W69-V103 WeakPolarHBondContact CH2-O 3.37Å; W69-V103 HydrophobicContact CZ3-CB 4.47Å; W69-V103 HydrophobicContact CZ3-CG1 4.16Å; W69-V103 HydrophobicContact CZ3-CG2 4.36Å; V97-V103 HydrophobicContact CB-CG2 4.34Å; N99-V103 WeakPolarHBondContact O-CG2 3.32Å; N99-V103 PolarHBondContact O-N 2.82Å; N99-V103 VanDerWaalsContact O-N 3.12Å; R100-V103 PolarHBondContact O-N 2.94Å; E101-V103 PolarHBondContact O-N 3.07Å; V103-A107 VanDerWaalsContact O-CB 3.28Å; V103-A107 WeakPolarHBondContact O-CB 3.41Å; V103-A107 PolarHBondContact O-N 3.18Å; V103-W153 HydrophobicContact CB-CB 4.21Å; V103-W153 HydrophobicContact CG1-CB 3.76Å; V103-W153 HydrophobicContact CG2-CE3 4.44Å; V103-T154 HydrophobicContact CG1-CG2 3.88Å; V103-T154 HydrophobicContact CG2-CG2 4.45Å
104Y98.8Very high98.2Very high83 Ų8363 Ų6333%0.32529%0.291SS..Hα-helixtrans-69.5-39-179.5-69.5-60.5000112.6R100 E101 E102 A107 K108 K156 A157R100-Y104 HydrophobicContact CG-CD2 3.87Å; R100-Y104 HydrophobicContact CG-CE2 3.49Å; R100-Y104 VanDerWaalsContact CG-CE2 3.49Å; R100-Y104 WeakPolarHBondContact O-CD2 3.42Å; R100-Y104 PolarHBondContact O-N 3.44Å; E101-Y104 PolarHBondContact O-N 2.93Å; E102-Y104 PolarHBondContact O-N 3.3Å; Y104-A107 PolarHBondContact O-N 3.34Å; Y104-K108 PolarHBondContact O-N 3.29Å; Y104-K108 VanDerWaalsContact O-N 3.11Å; Y104-K156 HydrophobicContact CE1-CB 4.37Å; Y104-A157 HydrophobicContact CD1-CB 4.05Å; Y104-A157 HydrophobicContact CE1-CB 4.15Å
105Q98.5Very high98.2Very high128 Ų12860.1 Ų60.160%0.59828%0.282SS*.Hα-helixtrans-61.7-46.3175.8-173.1-175.3-9.100111.2E101 E102 K108 A109E101-Q105 WeakPolarHBondContact O-CB 3.48Å; E101-Q105 PolarHBondContact O-N 3.01Å; E102-Q105 PolarHBondContact O-N 2.96Å; Q105-K108 PolarHBondContact O-N 3.09Å; Q105-A109 PolarHBondContact O-N 3.3Å; Q105-A109 VanDerWaalsContact O-N 3.11Å
106M98.6Very high98.2Very high34 Ų3462.6 Ų62.617%0.16730%0.295CS..Hα-helixtrans-71.1-34.2179.3-69.2-59.3103.500112.2W69 F93 C95 E102 K108 A109 V110W69-M106 HydrophobicContact CH2-CB 3.84Å; W69-M106 HydrophobicContact CZ2-CB 3.63Å; F93-M106 HydrophobicContact CB-SD 4.3Å; F93-M106 HydrophobicContact CD1-SD 4.19Å; C95-M106 HydrophobicContact CB-CB 4.36Å; C95-M106 HydrophobicContact CB-CG 3.96Å; E102-M106 WeakPolarHBondContact O-CB 3.37Å; E102-M106 VanDerWaalsContact O-CG 3.32Å; E102-M106 WeakPolarHBondContact O-CG 3.45Å; E102-M106 PolarHBondContact O-N 3.32Å; M106-K108 VanDerWaalsContact C-N 3.29Å; M106-K108 PolarHBondContact O-N 3.04Å; M106-A109 PolarHBondContact O-N 3.28Å; M106-V110 WeakPolarHBondContact O-CG2 3.48Å; M106-V110 PolarHBondContact O-N 3.5Å
107A98.7Very high98.2Very high4 Ų461.1 Ų61.13%0.03329%0.287CS..Hα-helixtrans-61.5-39.2173.800000112W69 V103 Y104 V110 R111 A157 F158W69-A107 HydrophobicContact CH2-CB 4.19Å; V103-A107 VanDerWaalsContact O-CB 3.28Å; V103-A107 WeakPolarHBondContact O-CB 3.41Å; V103-A107 PolarHBondContact O-N 3.18Å; Y104-A107 PolarHBondContact O-N 3.34Å; A107-V110 PolarHBondContact O-N 3.25Å; A107-R111 PolarHBondContact O-N 3.07Å; A107-R111 VanDerWaalsContact O-N 3.07Å; A107-A157 HydrophobicContact CB-CB 3.62Å; A107-F158 HydrophobicContact CB-CE1 3.97Å; A107-F158 HydrophobicContact CB-CE2 4.2Å; A107-F158 HydrophobicContact CB-CZ 3.61Å
108K98.4Very high98.2Very high135 Ų13561.1 Ų61.159%0.58729%0.287SS*.Hα-helixtrans-62.4-47.8172.3-176.8178.4173.1-1790111.2Y104 Q105 M106 V110 R111 E112Y104-K108 PolarHBondContact O-N 3.29Å; Y104-K108 VanDerWaalsContact O-N 3.11Å; Q105-K108 PolarHBondContact O-N 3.09Å; M106-K108 VanDerWaalsContact C-N 3.29Å; M106-K108 PolarHBondContact O-N 3.04Å; K108-V110 VanDerWaalsContact C-N 3.33Å; K108-V110 PolarHBondContact O-N 3.4Å; K108-R111 WeakPolarHBondContact O-CB 3.27Å; K108-R111 PolarHBondContact O-N 3.24Å; K108-R111 VanDerWaalsContact O-N 3.15Å; K108-E112 WeakPolarHBondContact CE-OE1 3.43Å; K108-E112 WeakPolarHBondContact O-CG 3.04Å; K108-E112 PolarHBondContact O-N 3.48Å
109A98.4Very high98.2Very high16 Ų1660.5 Ų60.513%0.13228%0.28CS..Hα-helixtrans-61.8-38.2178.600000113.1F93 Q105 M106 E112 K113F93-A109 HydrophobicContact CD1-CB 4.48Å; F93-A109 HydrophobicContact CE1-CB 4.11Å; Q105-A109 PolarHBondContact O-N 3.3Å; Q105-A109 VanDerWaalsContact O-N 3.11Å; M106-A109 PolarHBondContact O-N 3.28Å; A109-E112 PolarHBondContact O-N 2.83Å; A109-K113 WeakPolarHBondContact O-CB 3.35Å; A109-K113 WeakPolarHBondContact O-CG 3.43Å; A109-K113 PolarHBondContact O-N 3.33Å
110V98.5Very high98.3Very high0 Ų058 Ų580%027%0.267CS..Hα-helixtrans-62.2-45.9173.6168.40000110.6L42 V67 W69 F93 M106 A107 K108 E112 K113 V114 G115 I117 F158L42-V110 HydrophobicContact CD1-CG1 4.31Å; L42-V110 HydrophobicContact CD1-CG2 4.33Å; V67-V110 HydrophobicContact CG1-CG1 4.49Å; V67-V110 HydrophobicContact CG1-CG2 4.03Å; W69-V110 HydrophobicContact CZ2-CG2 3.86Å; F93-V110 HydrophobicContact CD1-CG2 4.37Å; F93-V110 HydrophobicContact CD2-CG2 3.74Å; F93-V110 HydrophobicContact CE1-CG2 4.23Å; F93-V110 HydrophobicContact CE2-CG2 3.62Å; F93-V110 HydrophobicContact CG-CG2 4.14Å; F93-V110 HydrophobicContact CZ-CG2 3.87Å; M106-V110 WeakPolarHBondContact O-CG2 3.48Å; M106-V110 PolarHBondContact O-N 3.5Å; A107-V110 PolarHBondContact O-N 3.25Å; K108-V110 VanDerWaalsContact C-N 3.33Å; K108-V110 PolarHBondContact O-N 3.4Å; V110-E112 VanDerWaalsContact C-N 3.32Å; V110-E112 PolarHBondContact O-N 2.68Å; V110-K113 PolarHBondContact O-N 2.81Å; V110-V114 HydrophobicContact CG1-CB 4.34Å; V110-V114 HydrophobicContact CG1-CG2 4.49Å; V110-V114 WeakPolarHBondContact O-CA 3.15Å; V110-V114 WeakPolarHBondContact O-CB 3.31Å; V110-V114 PolarHBondContact O-N 2.98Å; V110-G115 PolarHBondContact O-N 3.45Å; V110-I117 HydrophobicContact CG1-CD1 3.75Å; V110-I117 HydrophobicContact CG1-CG1 3.81Å; V110-F158 HydrophobicContact CG1-CE1 4.41Å
111R97.2Very high98.3Very high120 Ų12052 Ų5245%0.45324%0.244SC..Hα-helixtrans-61.1-41.4179.6-167.7178.1-57.4-163.10.8112.2A107 K108 G115 A157A107-R111 PolarHBondContact O-N 3.07Å; A107-R111 VanDerWaalsContact O-N 3.07Å; K108-R111 WeakPolarHBondContact O-CB 3.27Å; K108-R111 PolarHBondContact O-N 3.24Å; K108-R111 VanDerWaalsContact O-N 3.15Å; R111-G115 WeakPolarHBondContact O-CA 3.47Å; R111-G115 PolarHBondContact O-N 3.15Å; R111-A157 PolarHBondContact NH2-O 3.33Å
112E97.4Very high98.3Very high134 Ų13447.2 Ų47.263%0.62622%0.222SC*.Hα-helixtrans-70.1-40.2179.1-70.8170.7179.500112.8K108 A109 V110K108-E112 WeakPolarHBondContact CE-OE1 3.43Å; K108-E112 WeakPolarHBondContact O-CG 3.04Å; K108-E112 PolarHBondContact O-N 3.48Å; A109-E112 PolarHBondContact O-N 2.83Å; V110-E112 VanDerWaalsContact C-N 3.32Å; V110-E112 PolarHBondContact O-N 2.68Å
113K97.1Very high98.3Very high156 Ų15645.1 Ų45.168%0.67821%0.213SC*.Hα-helixtrans-93.3-34.4-172.8-66.6-174.9-178.3-176.50114.7F93 A109 V110F93-K113 HydrophobicContact CE1-CD 4.15Å; F93-K113 HydrophobicContact CZ-CB 4.43Å; F93-K113 HydrophobicContact CZ-CD 4.29Å; A109-K113 WeakPolarHBondContact O-CB 3.35Å; A109-K113 WeakPolarHBondContact O-CG 3.43Å; A109-K113 PolarHBondContact O-N 3.33Å; V110-K113 PolarHBondContact O-N 2.81Å
114V97.1Very high98.2Very high15 Ų1545.9 Ų45.99%0.09122%0.22CC..THydrogen-bonded Turntrans-111.3-41.3-171.4-171.30000111.2K65 V67 H91 F93 V110K65-V114 HydrophobicContact CD-CG1 3.92Å; V67-V114 HydrophobicContact CG2-CB 4.34Å; V67-V114 HydrophobicContact CG2-CG1 3.77Å; V67-V114 HydrophobicContact CG2-CG2 4.11Å; H91-V114 HydrophobicContact CB-CG2 4.19Å; F93-V114 HydrophobicContact CE2-CG2 4.08Å; F93-V114 HydrophobicContact CZ-CG2 4.13Å; V110-V114 HydrophobicContact CG1-CB 4.34Å; V110-V114 HydrophobicContact CG1-CG2 4.49Å; V110-V114 WeakPolarHBondContact O-CA 3.15Å; V110-V114 WeakPolarHBondContact O-CB 3.31Å; V110-V114 PolarHBondContact O-N 2.98Å
115G97.3Very high98.1Very high25 Ų2542.9 Ų42.926%0.25821%0.212SC..  trans112.2-156.9-17700000112.9V110 R111V110-G115 PolarHBondContact O-N 3.45Å; R111-G115 WeakPolarHBondContact O-CA 3.47Å; R111-G115 PolarHBondContact O-N 3.15Å
116D97.9Very high98Very high54 Ų5438.1 Ų38.129%0.28919%0.191SC..  trans-72133-177.3-66.5-34.7000111.3S40 R161 L165S40-D116 WeakPolarHBondContact CB-O 3.31Å; D116-R161 HydrophobicContact CB-CG 4.31Å; D116-R161 VanDerWaalsContact OD1-CG 3.31Å; D116-R161 WeakPolarHBondContact OD1-CG 3.41Å; D116-R161 IonicContact OD1-NE 3.11Å; D116-R161 PolarHBondContact OD1-NE 3.4Å; D116-R161 IonicContact OD2-CZ 3.91Å; D116-R161 IonicContact OD2-NE 2.77Å; D116-R161 PolarHBondContact OD2-NE 3.21Å; D116-R161 IonicContact OD2-NH2 3.85Å; D116-R161 PolarHBondContact OD2-NH2 3.47Å; D116-L165 HydrophobicContact CB-CD1 3.98Å
117I98.7Very high97.7Very high9 Ų937.5 Ų37.55%0.04619%0.19CC..  trans-90.3128.2173.7-60.5-54.3000108.4S40 L42 V67 V110 I119 F158 M162S40-I117 WeakPolarHBondContact OG-CD1 3.48Å; L42-I117 HydrophobicContact CB-CD1 4.16Å; L42-I117 HydrophobicContact CB-CG1 4.19Å; L42-I117 HydrophobicContact CB-CG2 3.69Å; L42-I117 HydrophobicContact CD1-CD1 4.4Å; L42-I117 HydrophobicContact CD1-CG1 4.11Å; V67-I117 HydrophobicContact CG2-CD1 4.03Å; V110-I117 HydrophobicContact CG1-CD1 3.75Å; V110-I117 HydrophobicContact CG1-CG1 3.81Å; I117-I119 VanDerWaalsContact CG2-O 3.29Å; I117-I119 WeakPolarHBondContact CG2-O 3.5Å; I117-F158 HydrophobicContact CB-CD1 3.97Å; I117-F158 HydrophobicContact CB-CE1 4.39Å; I117-F158 HydrophobicContact CG1-CD1 3.93Å; I117-F158 HydrophobicContact CG1-CE1 3.84Å; I117-M162 HydrophobicContact CG2-CE 4.12Å; I117-M162 VanDerWaalsContact O-CE 3.27Å; I117-M162 WeakPolarHBondContact O-CE 3.46Å
118T98.8Very high97.3Very high10 Ų1039.8 Ų39.86%0.06120%0.2CC..SBendtrans-107.7-20.9-178.3600000112.2E39 S40 N167 G168 H169E39-T118 WeakPolarHBondContact CA-OG1 3.34Å; E39-T118 WeakPolarHBondContact OE2-CB 3.39Å; E39-T118 PolarHBondContact OE2-OG1 3.18Å; S40-T118 PolarHBondContact N-OG1 3.05Å; S40-T118 PolarHBondContact O-N 2.97Å; S40-T118 PolarHBondContact O-OG1 3.04Å; T118-N167 VanDerWaalsContact CG2-ND2 3.34Å; T118-N167 WeakPolarHBondContact CG2-ND2 3.44Å; T118-G168 CarbonylContact O-C 3.56Å; T118-G168 VanDerWaalsContact O-CA 3.23Å; T118-G168 WeakPolarHBondContact O-CA 3.27Å; T118-H169 PolarHBondContact O-N 3.43Å
119I98.9Very high96.9Very high0 Ų034 Ų340%018%0.178CC..EExtended strand (participates in β ladder)trans-128.3118172-55.5-178.2000108.8L36 E39 S40 V41 L42 F58 I117 V121 H169 V171 V254L36-I119 HydrophobicContact CD2-CD1 3.99Å; E39-I119 HydrophobicContact CB-CD1 3.9Å; E39-I119 HydrophobicContact CB-CG1 4.32Å; E39-I119 HydrophobicContact CG-CD1 4.01Å; S40-I119 PolarHBondContact O-N 2.79Å; S40-I119 VanDerWaalsContact O-N 3.08Å; V41-I119 CarbonylContact C-O 3.55Å; V41-I119 WeakPolarHBondContact CA-O 3.42Å; V41-I119 HydrophobicContact CB-CB 4.41Å; V41-I119 HydrophobicContact CG1-CB 4.15Å; V41-I119 HydrophobicContact CG1-CG2 4.05Å; V41-I119 HydrophobicContact CG2-CB 4.14Å; V41-I119 HydrophobicContact CG2-CD1 4.2Å; L42-I119 PolarHBondContact N-O 2.87Å; F58-I119 HydrophobicContact CE1-CD1 4.16Å; F58-I119 HydrophobicContact CE1-CG2 4.47Å; F58-I119 HydrophobicContact CZ-CG2 4.21Å; I117-I119 VanDerWaalsContact CG2-O 3.29Å; I117-I119 WeakPolarHBondContact CG2-O 3.5Å; I119-V121 HydrophobicContact CG2-CG2 3.98Å; I119-H169 CarbonylContact C-O 3.56Å; I119-H169 WeakPolarHBondContact CA-O 3.28Å; I119-H169 HydrophobicContact CB-CB 4.47Å; I119-H169 HydrophobicContact CG1-CB 4.02Å; I119-H169 HydrophobicContact CG2-CB 4.31Å; I119-V171 HydrophobicContact CG2-CG2 4.16Å; I119-V254 HydrophobicContact CD1-CG1 4.04Å
120L98.9Very high96.4Very high0 Ų037.6 Ų37.60%019%0.19CC..EExtended strand (participates in β ladder)trans-104.3118.8173.617265000109.5L42 F158 M162 H169 I170 V171L42-L120 HydrophobicContact CB-CD1 4.36Å; L42-L120 HydrophobicContact CD2-CD1 3.58Å; L42-L120 HydrophobicContact CG-CD1 4.48Å; L120-F158 HydrophobicContact CD1-CD2 3.95Å; L120-F158 HydrophobicContact CD1-CE2 4.31Å; L120-F158 HydrophobicContact CD2-CB 4.45Å; L120-F158 HydrophobicContact CD2-CD2 4.07Å; L120-M162 HydrophobicContact CB-CE 3.97Å; L120-H169 PolarHBondContact N-O 3.33Å; L120-I170 HydrophobicContact CB-CD1 3.89Å; L120-I170 HydrophobicContact CD2-CD1 4.04Å; L120-V171 PolarHBondContact O-N 3.28Å
121V98.9Very high96Very high0 Ų039.7 Ų39.70%021%0.205CC..EExtended strand (participates in β ladder)trans-107.799.3177.5-1700000110.4V41 L42 I43 T44 L54 F58 I119 N123 V171 L173V41-V121 HydrophobicContact CG1-CG2 3.95Å; L42-V121 PolarHBondContact O-N 2.89Å; I43-V121 HydrophobicContact CB-CB 4.4Å; I43-V121 HydrophobicContact CG1-CB 4.08Å; I43-V121 HydrophobicContact CG1-CG2 4.14Å; I43-V121 HydrophobicContact CG2-CB 4.33Å; I43-V121 HydrophobicContact CG2-CG1 4.41Å; T44-V121 PolarHBondContact N-O 2.88Å; T44-V121 PolarHBondContact OG1-O 2.81Å; L54-V121 HydrophobicContact CD1-CG1 3.99Å; F58-V121 HydrophobicContact CE2-CG2 3.87Å; F58-V121 HydrophobicContact CZ-CG2 4.2Å; I119-V121 HydrophobicContact CG2-CG2 3.98Å; V121-N123 HydrophobicContact CG1-CB 4.23Å; V121-N123 PolarHBondContact O-N 3.1Å; V121-N123 VanDerWaalsContact O-N 3.12Å; V121-V171 HydrophobicContact CB-CB 4.36Å; V121-V171 HydrophobicContact CG1-CB 4.16Å; V121-V171 HydrophobicContact CG1-CG1 4.21Å; V121-V171 HydrophobicContact CG2-CB 4.14Å; V121-V171 HydrophobicContact CG2-CG2 4.25Å; V121-L173 HydrophobicContact CG1-CD2 3.49Å; V121-L173 VanDerWaalsContact CG1-CD2 3.49Å
122N98.8Very high95.8Very high3 Ų338.7 Ų38.72%0.01621%0.208CC..EExtended strand (participates in β ladder)trans-76.790.6172-78.4-40.3000110.4Q151 T154 V171 L173N122-Q151 HydrophobicContact CB-CG 3.98Å; N122-T154 PolarHBondContact ND2-OG1 3.26Å; N122-T154 PolarHBondContact OD1-OG1 3.08Å; N122-V171 WeakPolarHBondContact CB-O 3.41Å; N122-V171 PolarHBondContact N-O 3.2Å; N122-L173 PolarHBondContact O-N 2.96Å
123N98.6Very high95.6Very high21 Ų2140.2 Ų40.211%0.11222%0.218CC..  trans-116.7-23.6-177.9158.790.5000114.5I43 T44 G45 G51 L54 V121 A125 L173I43-N123 HydrophobicContact CG2-CB 4.49Å; T44-N123 CarbonylContact O-C 3.58Å; T44-N123 VanDerWaalsContact O-CB 3.27Å; T44-N123 WeakPolarHBondContact O-CB 3.29Å; T44-N123 PolarHBondContact O-ND2 3.21Å; T44-N123 PolarHBondContact OG1-N 2.89Å; G45-N123 PolarHBondContact O-ND2 3.36Å; G51-N123 WeakPolarHBondContact CA-ND2 3.36Å; L54-N123 HydrophobicContact CD1-CB 4.3Å; V121-N123 HydrophobicContact CG1-CB 4.23Å; V121-N123 PolarHBondContact O-N 3.1Å; V121-N123 VanDerWaalsContact O-N 3.12Å; N123-A125 PolarHBondContact O-N 3.36Å; N123-L173 HydrophobicContact CB-CB 4.04Å; N123-L173 HydrophobicContact CB-CD2 4.2Å; N123-L173 HydrophobicContact CB-CG 4.01Å
124A97.5Very high95.4Very high17 Ų1738.1 Ų38.114%0.1421%0.214CC..  trans-54.7130.417700000111.3T44 V97T44-A124 PolarHBondContact O-N 2.94Å; T44-A124 VanDerWaalsContact O-N 3.14Å; T44-A124 PolarHBondContact OG1-N 2.72Å; V97-A124 HydrophobicContact CG2-CB 3.62Å
125A96.4Very high95.1Very high20 Ų2038.1 Ų38.117%0.16521%0.214CC..  trans-152.8158.717600000112N123 N147 Y188 M226N123-A125 PolarHBondContact O-N 3.36Å; A125-N147 WeakPolarHBondContact CA-OD1 3.44Å; A125-N147 WeakPolarHBondContact CB-OD1 3.33Å; A125-Y188 HydrophobicContact CB-CE2 4.47Å; A125-M226 HydrophobicContact CB-CE 4.06Å; A125-M226 WeakPolarHBondContact O-CE 3.27Å
126V95.2Very high94.9Very high27 Ų2741.2 Ų41.216%0.16423%0.225CC..  trans-133.4155.7173.2-64.90000109.9V146 N147 Y188V126-V146 HydrophobicContact CG1-CG1 4.14Å; V126-V146 HydrophobicContact CG1-CG2 4.46Å; V126-V146 HydrophobicContact CG2-CB 3.92Å; V126-V146 HydrophobicContact CG2-CG1 4.2Å; V126-V146 HydrophobicContact CG2-CG2 4.26Å; V126-N147 PolarHBondContact N-OD1 2.67Å; V126-N147 PolarHBondContact O-ND2 3.13Å; V126-N147 PolarHBondContact O-OD1 2.77Å; V126-Y188 WeakPolarHBondContact O-CD2 3.25Å
127V93.4Very high94.8Very high22 Ų2244.3 Ų44.313%0.13324%0.241CC..  trans-141.8130.1173.647.10000108.4Y188 M226 F227 M295 F298V127-Y188 HydrophobicContact CB-CD2 3.75Å; V127-Y188 HydrophobicContact CB-CG 4.2Å; V127-Y188 HydrophobicContact CG2-CD2 4.35Å; V127-Y188 HydrophobicContact CG2-CG 4.3Å; V127-M226 HydrophobicContact CG1-CG 3.52Å; V127-M226 HydrophobicContact CG1-SD 4.14Å; V127-F227 HydrophobicContact CG1-CE1 4.44Å; V127-F227 HydrophobicContact CG1-CZ 4.38Å; V127-M295 HydrophobicContact CG2-CE 4.48Å; V127-F298 HydrophobicContact CG1-CE2 4.31Å; V127-F298 HydrophobicContact CG1-CZ 3.83Å; V127-F298 HydrophobicContact CG2-CZ 4.12Å
128H90.4Very high94.6Very high52 Ų5249.5 Ų49.524%0.24127%0.269CS..  trans-84.2-41.7175.7-174.153.4000111.5K130 A139 D187 F298H128-K130 WeakPolarHBondContact NE2-CD 3.42Å; H128-K130 WeakPolarHBondContact NE2-CE 3.47Å; H128-A139 HydrophobicContact CB-CB 4.2Å; H128-D187 WeakPolarHBondContact CB-OD2 3.28Å; H128-D187 PolarHBondContact N-OD2 2.75Å; H128-F298 WeakPolarHBondContact O-CE1 3.22Å
129G88.6Confident94.3Very high12 Ų1249.8 Ų49.812%0.12427%0.273CS..  trans78.532.4169.300000115G184G129-G184 CarbonylContact C-O 3.57Å; G129-G184 WeakPolarHBondContact CA-O 3.15Å
130K89.1Confident94.1Very high92 Ų9251.4 Ų51.440%0.428%0.282SS..  trans-120.1169.4176.6-65.9-165.8-167.3167.20112.5H128 D134 G184H128-K130 WeakPolarHBondContact NE2-CD 3.42Å; H128-K130 WeakPolarHBondContact NE2-CE 3.47Å; K130-D134 HydrophobicContact CB-CB 4.39Å; K130-D134 HydrophobicContact CD-CB 4.21Å; K130-D134 WeakPolarHBondContact CD-O 3.43Å; K130-D134 PolarHBondContact NZ-O 3.21Å; K130-G184 PolarHBondContact N-O 3.02Å; K130-G184 CarbonylContact O-C 3.57Å
131S90.8Very high94Very high45 Ų4556 Ų5632%0.31531%0.305SS..  trans-67.1162.1167.688.60000110.2M133 D134 S135S131-M133 VanDerWaalsContact C-N 3.29Å; S131-M133 PolarHBondContact O-N 3.23Å; S131-M133 PolarHBondContact OG-N 2.84Å; S131-D134 WeakPolarHBondContact CB-OD2 3.14Å; S131-D134 PolarHBondContact O-N 2.89Å; S131-D134 PolarHBondContact OG-N 2.74Å; S131-D134 PolarHBondContact OG-OD2 2.81Å; S131-S135 WeakPolarHBondContact O-CB 3.3Å; S131-S135 PolarHBondContact O-N 3.03Å; S131-S135 PolarHBondContact O-OG 3.48Å
132L92.1Very high93.9Very high99 Ų9960.8 Ų60.852%0.51833%0.326SS..THydrogen-bonded Turntrans-58.4-43.3176.9-179.460.3000111.7D134 S135 L140 I186L132-D134 VanDerWaalsContact C-N 3.29Å; L132-D134 PolarHBondContact O-N 2.83Å; L132-S135 PolarHBondContact O-N 3.09Å; L132-L140 HydrophobicContact CD1-CD1 4.03Å; L132-I186 HydrophobicContact CB-CD1 4.02Å; L132-I186 HydrophobicContact CB-CG2 4.4Å; L132-I186 HydrophobicContact CD1-CD1 4.44Å; L132-I186 HydrophobicContact CD2-CD1 4.38Å
133M93.7Very high93.8Very high166 Ų16660.8 Ų60.882%0.81833%0.327SS*.THydrogen-bonded Turntrans-71.6-24.5-176.5-59.9-51.8-57.700113.1S131S131-M133 VanDerWaalsContact C-N 3.29Å; S131-M133 PolarHBondContact O-N 3.23Å; S131-M133 PolarHBondContact OG-N 2.84Å
134D92.1Very high93.7Very high111 Ų11162.3 Ų62.359%0.59433%0.333SS*.THydrogen-bonded Turntrans-99.2-3.7-179.3-54.2-48.7000113.1K130 S131 L132K130-D134 HydrophobicContact CB-CB 4.39Å; K130-D134 HydrophobicContact CD-CB 4.21Å; K130-D134 WeakPolarHBondContact CD-O 3.43Å; K130-D134 PolarHBondContact NZ-O 3.21Å; S131-D134 WeakPolarHBondContact CB-OD2 3.14Å; S131-D134 PolarHBondContact O-N 2.89Å; S131-D134 PolarHBondContact OG-N 2.74Å; S131-D134 PolarHBondContact OG-OD2 2.81Å; L132-D134 VanDerWaalsContact C-N 3.29Å; L132-D134 PolarHBondContact O-N 2.83Å
135S91.6Very high93.8Very high15 Ų1565.1 Ų65.111%0.10534%0.343CS..SBendtrans-82140.2-179.5-670000110.8S131 L132S131-S135 WeakPolarHBondContact O-CB 3.3Å; S131-S135 PolarHBondContact O-N 3.03Å; S131-S135 PolarHBondContact O-OG 3.48Å; L132-S135 PolarHBondContact O-N 3.09Å
136D92.4Very high93.8Very high91 Ų9164.7 Ų64.749%0.48734%0.338SS..  trans-75.7133.9166.6-174.2-28.9000109.2D138 A139 L140D136-D138 PolarHBondContact O-N 3.41Å; D136-D138 PolarHBondContact OD1-N 3.07Å; D136-A139 HydrophobicContact CB-CB 4.09Å; D136-A139 WeakPolarHBondContact O-CA 3.4Å; D136-A139 WeakPolarHBondContact O-CB 3.29Å; D136-A139 PolarHBondContact O-N 3.15Å; D136-L140 WeakPolarHBondContact O-CG 3.42Å; D136-L140 PolarHBondContact O-N 3.3Å
137D95.8Very high94Very high118 Ų11863.4 Ų63.463%0.63133%0.33SS*.Hα-helixtrans-54.7-39.3176.6-73.2-19.4000111.9A139 L140 L141D137-A139 VanDerWaalsContact C-N 3.28Å; D137-A139 PolarHBondContact O-N 2.91Å; D137-L140 WeakPolarHBondContact O-CB 3.5Å; D137-L140 PolarHBondContact O-N 3.24Å; D137-L141 WeakPolarHBondContact O-CB 3.36Å; D137-L141 VanDerWaalsContact O-CG 3.32Å; D137-L141 WeakPolarHBondContact O-CG 3.34Å; D137-L141 PolarHBondContact O-N 3.19Å
138D95.7Very high94.2Very high118 Ų11862.5 Ų62.563%0.63133%0.325SS*.Hα-helixtrans-65.4-34.6177.4-78.1-25.3000111.5D136 K142D136-D138 PolarHBondContact O-N 3.41Å; D136-D138 PolarHBondContact OD1-N 3.07Å; D138-K142 WeakPolarHBondContact O-CB 3.34Å; D138-K142 PolarHBondContact O-N 3.39Å
139A91.8Very high94.6Very high17 Ų1762.4 Ų62.414%0.1433%0.326CS..Hα-helixtrans-70.5-40.217500000111.6H128 D136 D137 K142 S143H128-A139 HydrophobicContact CB-CB 4.2Å; D136-A139 HydrophobicContact CB-CB 4.09Å; D136-A139 WeakPolarHBondContact O-CA 3.4Å; D136-A139 WeakPolarHBondContact O-CB 3.29Å; D136-A139 PolarHBondContact O-N 3.15Å; D137-A139 VanDerWaalsContact C-N 3.28Å; D137-A139 PolarHBondContact O-N 2.91Å; A139-K142 PolarHBondContact O-N 3.15Å; A139-S143 PolarHBondContact O-N 3.19Å; A139-S143 VanDerWaalsContact O-N 3.08Å; A139-S143 PolarHBondContact O-OG 2.85Å
140L95.1Very high95.1Very high34 Ų3461.9 Ų61.918%0.17832%0.321CS..Hα-helixtrans-59.9-49173.6-63.5-179.7000110.9L132 D136 D137 K142 S143 Q144 D187L132-L140 HydrophobicContact CD1-CD1 4.03Å; D136-L140 WeakPolarHBondContact O-CG 3.42Å; D136-L140 PolarHBondContact O-N 3.3Å; D137-L140 WeakPolarHBondContact O-CB 3.5Å; D137-L140 PolarHBondContact O-N 3.24Å; L140-K142 PolarHBondContact O-N 3.27Å; L140-S143 PolarHBondContact O-N 3.39Å; L140-Q144 PolarHBondContact O-N 2.93Å; L140-D187 HydrophobicContact CD2-CB 3.71Å
141L96.5Very high95.5Very high95 Ų9557.7 Ų57.750%0.49730%0.303SS..Hα-helixtrans-61.5-43.6177.9-72.4174.1000111.6D137 S143 Q144 H145D137-L141 WeakPolarHBondContact O-CB 3.36Å; D137-L141 VanDerWaalsContact O-CG 3.32Å; D137-L141 WeakPolarHBondContact O-CG 3.34Å; D137-L141 PolarHBondContact O-N 3.19Å; L141-S143 VanDerWaalsContact C-N 3.32Å; L141-S143 PolarHBondContact O-N 3.2Å; L141-Q144 PolarHBondContact O-N 3.37Å; L141-Q144 VanDerWaalsContact O-N 3.11Å; L141-H145 PolarHBondContact O-CD2 3.2Å; L141-H145 VanDerWaalsContact O-CD2 3.25Å; L141-H145 PolarHBondContact O-N 2.79Å
142K96.4Very high95.9Very high102 Ų10258.9 Ų58.944%0.44330%0.302SS..Hα-helixtrans-59.3-41.1177.3-176.4175.5-178.2175.20112.5D138 A139 L140 Q144 H145 V146D138-K142 WeakPolarHBondContact O-CB 3.34Å; D138-K142 PolarHBondContact O-N 3.39Å; A139-K142 PolarHBondContact O-N 3.15Å; L140-K142 PolarHBondContact O-N 3.27Å; K142-Q144 VanDerWaalsContact C-N 3.34Å; K142-Q144 PolarHBondContact O-N 3.02Å; K142-H145 PolarHBondContact O-N 3.33Å; K142-V146 HydrophobicContact CG-CG2 4.43Å; K142-V146 WeakPolarHBondContact O-CG2 3.41Å; K142-V146 PolarHBondContact O-N 3.48Å
143S96.4Very high96.2Very high3 Ų355.7 Ų55.72%0.02128%0.283CS..Hα-helixtrans-62.6-40.3174.9-72.90000112A139 L140 L141 N147 D187A139-S143 PolarHBondContact O-N 3.19Å; A139-S143 VanDerWaalsContact O-N 3.08Å; A139-S143 PolarHBondContact O-OG 2.85Å; L140-S143 PolarHBondContact O-N 3.39Å; L141-S143 VanDerWaalsContact C-N 3.32Å; L141-S143 PolarHBondContact O-N 3.2Å; S143-N147 WeakPolarHBondContact O-CB 3.42Å; S143-N147 VanDerWaalsContact O-CG 3.29Å; S143-N147 PolarHBondContact O-N 2.69Å; S143-D187 WeakPolarHBondContact CB-OD2 3.43Å; S143-D187 PolarHBondContact OG-OD2 3.41Å
144Q97.8Very high96.4Very high53 Ų5347.8 Ų47.825%0.24824%0.244CC..Hα-helixtrans-66.9-43.2174.2-60.3-54.2-36.400112.3L140 L141 K142 T148 L149 T190L140-Q144 PolarHBondContact O-N 2.93Å; L141-Q144 PolarHBondContact O-N 3.37Å; L141-Q144 VanDerWaalsContact O-N 3.11Å; K142-Q144 VanDerWaalsContact C-N 3.34Å; K142-Q144 PolarHBondContact O-N 3.02Å; Q144-T148 WeakPolarHBondContact O-CA 3.3Å; Q144-T148 WeakPolarHBondContact O-CB 3.39Å; Q144-T148 PolarHBondContact O-N 3.4Å; Q144-T148 PolarHBondContact OE1-OG1 3.03Å; Q144-L149 PolarHBondContact O-N 2.9Å; Q144-T190 PolarHBondContact NE2-OG1 3.37Å
145H98Very high96.8Very high76 Ų7642.8 Ų42.835%0.35222%0.218SC..Iπ-helixtrans-61.8-49.1-179.6-83.2-139.7000111.7G98 L141 K142 L149 G150G98-H145 PolarHBondContact O-ND1 3Å; L141-H145 PolarHBondContact O-CD2 3.2Å; L141-H145 VanDerWaalsContact O-CD2 3.25Å; L141-H145 PolarHBondContact O-N 2.79Å; K142-H145 PolarHBondContact O-N 3.33Å; H145-L149 CarbonylContact O-C 3.24Å; H145-L149 PolarHBondContact O-N 3.14Å; H145-G150 PolarHBondContact O-N 3.43Å
146V98Very high97.1Very high10 Ų1048.7 Ų48.76%0.06124%0.242CC..Iπ-helixtrans-75.3-50.2-176.3173.60000111.5V97 V126 K142V97-V146 HydrophobicContact CG2-CG1 3.97Å; V126-V146 HydrophobicContact CG1-CG1 4.14Å; V126-V146 HydrophobicContact CG1-CG2 4.46Å; V126-V146 HydrophobicContact CG2-CB 3.92Å; V126-V146 HydrophobicContact CG2-CG1 4.2Å; V126-V146 HydrophobicContact CG2-CG2 4.26Å; K142-V146 HydrophobicContact CG-CG2 4.43Å; K142-V146 WeakPolarHBondContact O-CG2 3.41Å; K142-V146 PolarHBondContact O-N 3.48Å
147N98.3Very high97.4Very high0 Ų044.9 Ų44.90%022%0.223CC..Iπ-helixtrans-81.6-25.6-169.2-58.3-5.5000112.7A125 V126 S143 S191A125-N147 WeakPolarHBondContact CA-OD1 3.44Å; A125-N147 WeakPolarHBondContact CB-OD1 3.33Å; V126-N147 PolarHBondContact N-OD1 2.67Å; V126-N147 PolarHBondContact O-ND2 3.13Å; V126-N147 PolarHBondContact O-OD1 2.77Å; S143-N147 WeakPolarHBondContact O-CB 3.42Å; S143-N147 VanDerWaalsContact O-CG 3.29Å; S143-N147 PolarHBondContact O-N 2.69Å; N147-S191 WeakPolarHBondContact CB-OG 3.34Å; N147-S191 PolarHBondContact ND2-OG 3.39Å
148T97.9Very high97.5Very high3 Ų339.7 Ų39.72%0.01819%0.194CC..Iπ-helixtrans-112.7-67.9-176.4-48.20000111.2Q144 G150 Q151 F152 S191 S194Q144-T148 WeakPolarHBondContact O-CA 3.3Å; Q144-T148 WeakPolarHBondContact O-CB 3.39Å; Q144-T148 PolarHBondContact O-N 3.4Å; Q144-T148 PolarHBondContact OE1-OG1 3.03Å; T148-G150 VanDerWaalsContact C-N 3.3Å; T148-G150 PolarHBondContact O-N 3.36Å; T148-Q151 VanDerWaalsContact O-CB 3.31Å; T148-Q151 WeakPolarHBondContact O-CB 3.48Å; T148-Q151 PolarHBondContact O-N 2.82Å; T148-F152 HydrophobicContact CG2-CE1 4.19Å; T148-F152 HydrophobicContact CG2-CZ 4.06Å; T148-F152 PolarHBondContact O-N 3.4Å; T148-S191 WeakPolarHBondContact OG1-CA 3.25Å; T148-S191 PolarHBondContact OG1-O 2.88Å; T148-S191 VanDerWaalsContact OG1-O 3.09Å; T148-S194 WeakPolarHBondContact CG2-OG 3.27Å
149L98.6Very high97.7Very high50 Ų5035.2 Ų35.226%0.26217%0.17SC..Iπ-helixtrans-67-32.8-170.1-58.7-178.9000112.6Q144 H145 Q151 F152 W153Q144-L149 PolarHBondContact O-N 2.9Å; H145-L149 CarbonylContact O-C 3.24Å; H145-L149 PolarHBondContact O-N 3.14Å; L149-Q151 PolarHBondContact O-N 3Å; L149-F152 HydrophobicContact CD2-CD2 3.91Å; L149-F152 HydrophobicContact CD2-CE2 4Å; L149-F152 WeakPolarHBondContact O-CA 3.33Å; L149-F152 WeakPolarHBondContact O-CB 3.46Å; L149-F152 PolarHBondContact O-N 2.86Å; L149-W153 HydrophobicContact CB-CD2 4.36Å; L149-W153 HydrophobicContact CB-CH2 3.59Å; L149-W153 HydrophobicContact CB-CZ2 3.41Å; L149-W153 VanDerWaalsContact CB-CZ2 3.41Å; L149-W153 HydrophobicContact CB-CZ3 4.12Å; L149-W153 HydrophobicContact CD1-CH2 4.2Å; L149-W153 HydrophobicContact CD1-CZ2 3.88Å; L149-W153 HydrophobicContact CG-CZ2 4.26Å; L149-W153 VanDerWaalsContact O-CD2 3.22Å; L149-W153 VanDerWaalsContact O-CG 3.31Å; L149-W153 PolarHBondContact O-N 3.19Å
150G98.6Very high98Very high2 Ų237.4 Ų37.42%0.02118%0.183CC..Hα-helixtrans-55.7-34.7171.800000112.5V97 H145 T148 T154V97-G150 WeakPolarHBondContact O-CA 3.2Å; H145-G150 PolarHBondContact O-N 3.43Å; T148-G150 VanDerWaalsContact C-N 3.3Å; T148-G150 PolarHBondContact O-N 3.36Å; G150-T154 WeakPolarHBondContact O-CB 3.13Å; G150-T154 VanDerWaalsContact O-CG2 3.25Å; G150-T154 WeakPolarHBondContact O-CG2 3.36Å; G150-T154 PolarHBondContact O-N 3.22Å; G150-T154 PolarHBondContact O-OG1 3.19Å
151Q98.1Very high98.2Very high4 Ų439.3 Ų39.32%0.01919%0.188CC..Hα-helixtrans-70.4-35.9174.2-53.6-162-16.400111.9N122 T148 L149 T154 T155 C172 F198N122-Q151 HydrophobicContact CB-CG 3.98Å; T148-Q151 VanDerWaalsContact O-CB 3.31Å; T148-Q151 WeakPolarHBondContact O-CB 3.48Å; T148-Q151 PolarHBondContact O-N 2.82Å; L149-Q151 PolarHBondContact O-N 3Å; Q151-T154 WeakPolarHBondContact CA-OG1 3.31Å; Q151-T154 PolarHBondContact O-OG1 3.35Å; Q151-T155 WeakPolarHBondContact O-CB 3.32Å; Q151-T155 PolarHBondContact O-N 2.84Å; Q151-T155 PolarHBondContact O-OG1 3.11Å; Q151-C172 PolarHBondContact NE2-SG 2.79Å; Q151-C172 PolarHBondContact OE1-SG 3.15Å; Q151-F198 HydrophobicContact CB-CD1 4.43Å; Q151-F198 HydrophobicContact CB-CE1 4.18Å
152F98.6Very high98.3Very high70 Ų7034.8 Ų34.831%0.30717%0.165SC..Hα-helixtrans-64.9-47.6175.6-64.21.7000110.2T148 L149 T155 K156 F198T148-F152 HydrophobicContact CG2-CE1 4.19Å; T148-F152 HydrophobicContact CG2-CZ 4.06Å; T148-F152 PolarHBondContact O-N 3.4Å; L149-F152 HydrophobicContact CD2-CD2 3.91Å; L149-F152 HydrophobicContact CD2-CE2 4Å; L149-F152 WeakPolarHBondContact O-CA 3.33Å; L149-F152 WeakPolarHBondContact O-CB 3.46Å; L149-F152 PolarHBondContact O-N 2.86Å; F152-T155 PolarHBondContact O-N 3.5Å; F152-K156 VanDerWaalsContact O-CB 3.31Å; F152-K156 WeakPolarHBondContact O-CB 3.47Å; F152-K156 VanDerWaalsContact O-CG 3.25Å; F152-K156 WeakPolarHBondContact O-CG 3.32Å; F152-K156 PolarHBondContact O-N 3.42Å; F152-F198 HydrophobicContact CD1-CB 4.5Å; F152-F198 HydrophobicContact CD1-CD1 4.1Å; F152-F198 AromaticContact CD1-CD2 3.49Å; F152-F198 HydrophobicContact CD1-CD2 3.49Å; F152-F198 VanDerWaalsContact CD1-CD2 3.49Å; F152-F198 HydrophobicContact CD1-CE1 4.18Å; F152-F198 AromaticContact CD1-CE2 3.57Å; F152-F198 HydrophobicContact CD1-CE2 3.57Å; F152-F198 AromaticContact CD1-CG 3.76Å; F152-F198 HydrophobicContact CD1-CG 3.76Å; F152-F198 AromaticContact CD1-CZ 3.93Å; F152-F198 HydrophobicContact CD1-CZ 3.93Å; F152-F198 HydrophobicContact CE1-CB 3.6Å; F152-F198 AromaticContact CE1-CD1 3.99Å; F152-F198 HydrophobicContact CE1-CD1 3.99Å; F152-F198 AromaticContact CE1-CD2 3.23Å; F152-F198 HydrophobicContact CE1-CD2 3.23Å; F152-F198 AromaticContact CE1-CE2 3.85Å; F152-F198 HydrophobicContact CE1-CE2 3.85Å; F152-F198 AromaticContact CE1-CG 3.31Å; F152-F198 HydrophobicContact CE1-CG 3.31Å; F152-F198 HydrophobicContact CE1-CZ 4.45Å; F152-F198 HydrophobicContact CG-CE2 4.47Å; F152-F198 HydrophobicContact CZ-CB 4.33Å; F152-F198 HydrophobicContact CZ-CD2 4.13Å; F152-F198 HydrophobicContact CZ-CG 4.37Å
153W98.9Very high98.4Very high31 Ų3133.1 Ų33.112%0.11716%0.16CC..Hα-helixtrans-68.2-44.5-175.8-53.6-33.5000112.2V97 G98 R100 V103 L149 K156 A157V97-W153 VanDerWaalsContact O-CE3 3.26Å; V97-W153 VanDerWaalsContact O-CZ3 3.22Å; V97-W153 WeakPolarHBondContact O-CZ3 3.39Å; G98-W153 VanDerWaalsContact C-CZ3 3.48Å; G98-W153 WeakPolarHBondContact O-CZ3 3.29Å; R100-W153 HydrophobicContact CB-CD2 3.74Å; R100-W153 HydrophobicContact CB-CE3 4.01Å; R100-W153 HydrophobicContact CB-CG 4.29Å; R100-W153 HydrophobicContact CB-CH2 4.14Å; R100-W153 HydrophobicContact CB-CZ2 3.86Å; R100-W153 HydrophobicContact CB-CZ3 4.22Å; R100-W153 HydrophobicContact CG-CD2 3.9Å; R100-W153 HydrophobicContact CG-CG 3.92Å; R100-W153 HydrophobicContact CG-CZ2 4.42Å; V103-W153 HydrophobicContact CB-CB 4.21Å; V103-W153 HydrophobicContact CG1-CB 3.76Å; V103-W153 HydrophobicContact CG2-CE3 4.44Å; L149-W153 HydrophobicContact CB-CD2 4.36Å; L149-W153 HydrophobicContact CB-CH2 3.59Å; L149-W153 HydrophobicContact CB-CZ2 3.41Å; L149-W153 VanDerWaalsContact CB-CZ2 3.41Å; L149-W153 HydrophobicContact CB-CZ3 4.12Å; L149-W153 HydrophobicContact CD1-CH2 4.2Å; L149-W153 HydrophobicContact CD1-CZ2 3.88Å; L149-W153 HydrophobicContact CG-CZ2 4.26Å; L149-W153 VanDerWaalsContact O-CD2 3.22Å; L149-W153 VanDerWaalsContact O-CG 3.31Å; L149-W153 PolarHBondContact O-N 3.19Å; W153-K156 PolarHBondContact O-N 3.39Å; W153-A157 WeakPolarHBondContact O-CB 3.47Å; W153-A157 PolarHBondContact O-N 3.38Å
154T98.9Very high98.5Very high0 Ų039.2 Ų39.20%019%0.188CC..Hα-helixtrans-63.8-45.4175.5520000111.2T44 W69 V103 N122 G150 Q151 K156 A157 F158T44-T154 HydrophobicContact CG2-CG2 4.28Å; W69-T154 HydrophobicContact CZ3-CG2 4.12Å; V103-T154 HydrophobicContact CG1-CG2 3.88Å; V103-T154 HydrophobicContact CG2-CG2 4.45Å; N122-T154 PolarHBondContact ND2-OG1 3.26Å; N122-T154 PolarHBondContact OD1-OG1 3.08Å; G150-T154 WeakPolarHBondContact O-CB 3.13Å; G150-T154 VanDerWaalsContact O-CG2 3.25Å; G150-T154 WeakPolarHBondContact O-CG2 3.36Å; G150-T154 PolarHBondContact O-N 3.22Å; G150-T154 PolarHBondContact O-OG1 3.19Å; Q151-T154 WeakPolarHBondContact CA-OG1 3.31Å; Q151-T154 PolarHBondContact O-OG1 3.35Å; T154-K156 PolarHBondContact O-N 3.02Å; T154-A157 PolarHBondContact O-N 3.13Å; T154-A157 VanDerWaalsContact O-N 3.1Å; T154-F158 WeakPolarHBondContact O-CD2 3.31Å; T154-F158 PolarHBondContact O-N 3.43Å; T154-F158 VanDerWaalsContact O-N 3.1Å
155T98.8Very high98.5Very high6 Ų640.1 Ų40.14%0.03719%0.194CC..Hα-helixtrans-60.8-45.2176.3-55.50000110.8Q151 F152 A157 F158 L159 I170 F198 L202Q151-T155 WeakPolarHBondContact O-CB 3.32Å; Q151-T155 PolarHBondContact O-N 2.84Å; Q151-T155 PolarHBondContact O-OG1 3.11Å; F152-T155 PolarHBondContact O-N 3.5Å; T155-A157 PolarHBondContact O-N 3.07Å; T155-F158 PolarHBondContact O-N 3.3Å; T155-L159 HydrophobicContact CG2-CB 3.95Å; T155-L159 HydrophobicContact CG2-CD2 3.82Å; T155-L159 HydrophobicContact CG2-CG 4.48Å; T155-L159 WeakPolarHBondContact O-CB 3.46Å; T155-L159 PolarHBondContact O-N 2.98Å; T155-I170 HydrophobicContact CG2-CD1 4.49Å; T155-F198 HydrophobicContact CG2-CZ 4.11Å; T155-L202 HydrophobicContact CG2-CD2 4.01Å
156K98.7Very high98.5Very high140 Ų14042.3 Ų42.361%0.60921%0.205SC*.Hα-helixtrans-60.8-31.9175.1-76.9-176.868.11650113.4Y104 F152 W153 T154 P160Y104-K156 HydrophobicContact CE1-CB 4.37Å; F152-K156 VanDerWaalsContact O-CB 3.31Å; F152-K156 WeakPolarHBondContact O-CB 3.47Å; F152-K156 VanDerWaalsContact O-CG 3.25Å; F152-K156 WeakPolarHBondContact O-CG 3.32Å; F152-K156 PolarHBondContact O-N 3.42Å; W153-K156 PolarHBondContact O-N 3.39Å; T154-K156 PolarHBondContact O-N 3.02Å; K156-P160 VanDerWaalsContact O-CD 3.28Å; K156-P160 WeakPolarHBondContact O-CD 3.35Å; K156-P160 WeakPolarHBondContact O-CG 3.38Å
157A98.8Very high98.5Very high10 Ų1044.2 Ų44.28%0.08322%0.215CC..Hα-helixtrans-76.7-32.2-178.700000113.4Y104 A107 R111 W153 T154 T155Y104-A157 HydrophobicContact CD1-CB 4.05Å; Y104-A157 HydrophobicContact CE1-CB 4.15Å; A107-A157 HydrophobicContact CB-CB 3.62Å; R111-A157 PolarHBondContact NH2-O 3.33Å; W153-A157 WeakPolarHBondContact O-CB 3.47Å; W153-A157 PolarHBondContact O-N 3.38Å; T154-A157 PolarHBondContact O-N 3.13Å; T154-A157 VanDerWaalsContact O-N 3.1Å; T155-A157 PolarHBondContact O-N 3.07Å
158F98.8Very high98.5Very high9 Ų944.2 Ų44.24%0.03922%0.215CC..Hα-helixtrans-111.4-33.1-171.9-62.5-67.9000114.4L42 W69 A107 V110 I117 L120 T154 T155 P160 R161 M162L42-F158 HydrophobicContact CD1-CE1 4.07Å; L42-F158 HydrophobicContact CD1-CE2 3.88Å; L42-F158 HydrophobicContact CD1-CZ 3.47Å; L42-F158 VanDerWaalsContact CD1-CZ 3.47Å; W69-F158 AromaticContact CH2-CE2 3.91Å; W69-F158 HydrophobicContact CH2-CE2 3.91Å; W69-F158 AromaticContact CH2-CZ 3.82Å; W69-F158 HydrophobicContact CH2-CZ 3.82Å; W69-F158 HydrophobicContact CZ2-CE2 4.27Å; W69-F158 AromaticContact CZ2-CZ 3.79Å; W69-F158 HydrophobicContact CZ2-CZ 3.79Å; W69-F158 HydrophobicContact CZ3-CE2 4.47Å; A107-F158 HydrophobicContact CB-CE1 3.97Å; A107-F158 HydrophobicContact CB-CE2 4.2Å; A107-F158 HydrophobicContact CB-CZ 3.61Å; V110-F158 HydrophobicContact CG1-CE1 4.41Å; I117-F158 HydrophobicContact CB-CD1 3.97Å; I117-F158 HydrophobicContact CB-CE1 4.39Å; I117-F158 HydrophobicContact CG1-CD1 3.93Å; I117-F158 HydrophobicContact CG1-CE1 3.84Å; L120-F158 HydrophobicContact CD1-CD2 3.95Å; L120-F158 HydrophobicContact CD1-CE2 4.31Å; L120-F158 HydrophobicContact CD2-CB 4.45Å; L120-F158 HydrophobicContact CD2-CD2 4.07Å; T154-F158 WeakPolarHBondContact O-CD2 3.31Å; T154-F158 PolarHBondContact O-N 3.43Å; T154-F158 VanDerWaalsContact O-N 3.1Å; T155-F158 PolarHBondContact O-N 3.3Å; F158-P160 VanDerWaalsContact C-CD 3.49Å; F158-R161 PolarHBondContact O-N 3.13Å; F158-M162 HydrophobicContact CB-CE 4.19Å; F158-M162 PolarHBondContact O-N 2.94Å
159L98.8Very high98.5Very high24 Ų2444.1 Ų44.113%0.12621%0.214CC..Hα-helixtrans-60.1-40.5-176.4-176.762.1000114.5T155 R161 M162 L163 I170 L202 L206 V212T155-L159 HydrophobicContact CG2-CB 3.95Å; T155-L159 HydrophobicContact CG2-CD2 3.82Å; T155-L159 HydrophobicContact CG2-CG 4.48Å; T155-L159 WeakPolarHBondContact O-CB 3.46Å; T155-L159 PolarHBondContact O-N 2.98Å; L159-R161 PolarHBondContact O-N 3.48Å; L159-M162 HydrophobicContact CD1-CB 4.45Å; L159-M162 WeakPolarHBondContact O-CB 3.32Å; L159-M162 PolarHBondContact O-N 2.88Å; L159-M162 VanDerWaalsContact O-N 3.1Å; L159-L163 HydrophobicContact CD1-CD1 4.45Å; L159-L163 HydrophobicContact CD1-CD2 4.48Å; L159-L163 HydrophobicContact CD1-CG 4.13Å; L159-L163 HydrophobicContact CG-CD1 4Å; L159-L163 HydrophobicContact CG-CG 4.18Å; L159-L163 WeakPolarHBondContact O-CG 3.39Å; L159-L163 PolarHBondContact O-N 3.49Å; L159-I170 HydrophobicContact CD1-CD1 4.41Å; L159-I170 HydrophobicContact CD1-CG1 4.28Å; L159-L202 HydrophobicContact CD2-CD1 3.78Å; L159-L206 HydrophobicContact CD1-CD2 4.27Å; L159-V212 HydrophobicContact CD1-CG1 3.75Å
160P98.6Very high98.5Very high64 Ų6441.7 Ų41.742%0.41620%0.201SC..Hα-helixtrans-55.4-41.6-179.2-27.736.1000112.8K156 F158 L163 E164K156-P160 VanDerWaalsContact O-CD 3.28Å; K156-P160 WeakPolarHBondContact O-CD 3.35Å; K156-P160 WeakPolarHBondContact O-CG 3.38Å; F158-P160 VanDerWaalsContact C-CD 3.49Å; P160-L163 WeakPolarHBondContact O-CB 3.41Å; P160-L163 PolarHBondContact O-N 3.08Å; P160-E164 WeakPolarHBondContact O-CG 3.49Å; P160-E164 PolarHBondContact O-N 3.05Å
161R98.3Very high98.6Very high74 Ų7441.6 Ų41.628%0.27920%0.2SC..Hα-helixtrans-72.3-35.9179.6-174.154.6175.91637.2112.6D116 F158 L159 L163 E164 L165D116-R161 HydrophobicContact CB-CG 4.31Å; D116-R161 VanDerWaalsContact OD1-CG 3.31Å; D116-R161 WeakPolarHBondContact OD1-CG 3.41Å; D116-R161 IonicContact OD1-NE 3.11Å; D116-R161 PolarHBondContact OD1-NE 3.4Å; D116-R161 IonicContact OD2-CZ 3.91Å; D116-R161 IonicContact OD2-NE 2.77Å; D116-R161 PolarHBondContact OD2-NE 3.21Å; D116-R161 IonicContact OD2-NH2 3.85Å; D116-R161 PolarHBondContact OD2-NH2 3.47Å; F158-R161 PolarHBondContact O-N 3.13Å; L159-R161 PolarHBondContact O-N 3.48Å; R161-L163 VanDerWaalsContact C-N 3.28Å; R161-L163 PolarHBondContact O-N 3.05Å; R161-E164 WeakPolarHBondContact CD-OE2 3.42Å; R161-E164 IonicContact CZ-OE2 2.73Å; R161-E164 IonicContact NE-OE2 3.85Å; R161-E164 IonicContact NH1-OE2 3.21Å; R161-E164 PolarHBondContact NH1-OE2 3.22Å; R161-E164 PolarHBondContact O-N 3.13Å; R161-L165 HydrophobicContact CG-CD1 4.11Å; R161-L165 WeakPolarHBondContact O-CB 3.3Å; R161-L165 WeakPolarHBondContact O-CG 3.42Å; R161-L165 PolarHBondContact O-N 3.31Å
162M98.7Very high98.6Very high0 Ų041.4 Ų41.40%020%0.2CC..Hα-helixtrans-60-40.1172.4-70.1175.5-177.900111.8I117 L120 F158 L159 Q166 N167 I170 V212I117-M162 HydrophobicContact CG2-CE 4.12Å; I117-M162 VanDerWaalsContact O-CE 3.27Å; I117-M162 WeakPolarHBondContact O-CE 3.46Å; L120-M162 HydrophobicContact CB-CE 3.97Å; F158-M162 HydrophobicContact CB-CE 4.19Å; F158-M162 PolarHBondContact O-N 2.94Å; L159-M162 HydrophobicContact CD1-CB 4.45Å; L159-M162 WeakPolarHBondContact O-CB 3.32Å; L159-M162 PolarHBondContact O-N 2.88Å; L159-M162 VanDerWaalsContact O-N 3.1Å; M162-Q166 PolarHBondContact O-N 2.66Å; M162-N167 PolarHBondContact O-N 2.85Å; M162-I170 HydrophobicContact CE-CD1 4.06Å; M162-I170 HydrophobicContact SD-CD1 3.59Å; M162-I170 VanDerWaalsContact SD-CD1 3.59Å; M162-V212 HydrophobicContact CB-CG2 4.32Å; M162-V212 WeakPolarHBondContact O-CG2 3.41Å
163L98.7Very high98.6Very high67 Ų6738.4 Ų38.435%0.35119%0.186SC..Hα-helixtrans-66.9-46.3176.6-67.4168.9000111.8L159 P160 R161 L165 Q166 L206 C209 V212L159-L163 HydrophobicContact CD1-CD1 4.45Å; L159-L163 HydrophobicContact CD1-CD2 4.48Å; L159-L163 HydrophobicContact CD1-CG 4.13Å; L159-L163 HydrophobicContact CG-CD1 4Å; L159-L163 HydrophobicContact CG-CG 4.18Å; L159-L163 WeakPolarHBondContact O-CG 3.39Å; L159-L163 PolarHBondContact O-N 3.49Å; P160-L163 WeakPolarHBondContact O-CB 3.41Å; P160-L163 PolarHBondContact O-N 3.08Å; R161-L163 VanDerWaalsContact C-N 3.28Å; R161-L163 PolarHBondContact O-N 3.05Å; L163-L165 VanDerWaalsContact C-N 3.27Å; L163-L165 PolarHBondContact O-N 2.85Å; L163-Q166 PolarHBondContact O-N 2.83Å; L163-Q166 VanDerWaalsContact O-N 3.14Å; L163-L206 HydrophobicContact CD2-CD2 3.97Å; L163-C209 HydrophobicContact CD2-CB 3.75Å; L163-V212 HydrophobicContact CD2-CB 4.24Å; L163-V212 HydrophobicContact CD2-CG1 4.32Å; L163-V212 HydrophobicContact CD2-CG2 3.99Å
164E98.3Very high98.5Very high131 Ų13137.1 Ų37.161%0.61218%0.182SC*.Hα-helixtrans-56.9-40.8175.6-73.2169-162.600112.4P160 R161 Q166P160-E164 WeakPolarHBondContact O-CG 3.49Å; P160-E164 PolarHBondContact O-N 3.05Å; R161-E164 WeakPolarHBondContact CD-OE2 3.42Å; R161-E164 IonicContact CZ-OE2 2.73Å; R161-E164 IonicContact NE-OE2 3.85Å; R161-E164 IonicContact NH1-OE2 3.21Å; R161-E164 PolarHBondContact NH1-OE2 3.22Å; R161-E164 PolarHBondContact O-N 3.13Å; E164-Q166 VanDerWaalsContact C-N 3.33Å
165L97.6Very high98.4Very high72 Ų7237.6 Ų37.638%0.37719%0.185SC..THydrogen-bonded Turntrans-84.3-7.4-179-68.8177.8000113.8D116 R161 L163 N167D116-L165 HydrophobicContact CB-CD1 3.98Å; R161-L165 HydrophobicContact CG-CD1 4.11Å; R161-L165 WeakPolarHBondContact O-CB 3.3Å; R161-L165 WeakPolarHBondContact O-CG 3.42Å; R161-L165 PolarHBondContact O-N 3.31Å; L163-L165 VanDerWaalsContact C-N 3.27Å; L163-L165 PolarHBondContact O-N 2.85Å; L165-N167 HydrophobicContact CB-CB 4.26Å; L165-N167 PolarHBondContact O-N 3.19Å
166Q98.1Very high98.2Very high121 Ų12137.8 Ų37.857%0.56519%0.187SC*.THydrogen-bonded Turntrans48.739.6-169.5-61.9-177.8-25.700111.5M162 L163 E164 P210 G211M162-Q166 PolarHBondContact O-N 2.66Å; L163-Q166 PolarHBondContact O-N 2.83Å; L163-Q166 VanDerWaalsContact O-N 3.14Å; E164-Q166 VanDerWaalsContact C-N 3.33Å; Q166-P210 WeakPolarHBondContact CA-O 3.21Å; Q166-P210 WeakPolarHBondContact CB-O 3.45Å; Q166-P210 HydrophobicContact CG-CG 4.34Å; Q166-G211 WeakPolarHBondContact O-CA 3.41Å
167N98Very high97.9Very high51 Ų5132 Ų3227%0.27316%0.162SC..  trans-149.397-176.3-172.229.4000110.5R34 T118 M162 L165 G211R34-N167 PolarHBondContact NH2-OD1 3.38Å; T118-N167 VanDerWaalsContact CG2-ND2 3.34Å; T118-N167 WeakPolarHBondContact CG2-ND2 3.44Å; M162-N167 PolarHBondContact O-N 2.85Å; L165-N167 HydrophobicContact CB-CB 4.26Å; L165-N167 PolarHBondContact O-N 3.19Å; N167-G211 WeakPolarHBondContact CA-O 3.18Å
168G98.4Very high97.8Very high0 Ų032.3 Ų32.30%017%0.165CC..EExtended strand (participates in β ladder)trans-159.1152.6-176.500000114.9T118 G211 V212 S213T118-G168 CarbonylContact O-C 3.56Å; T118-G168 VanDerWaalsContact O-CA 3.23Å; T118-G168 WeakPolarHBondContact O-CA 3.27Å; G168-G211 PolarHBondContact N-O 3.35Å; G168-V212 WeakPolarHBondContact O-CA 3.42Å; G168-S213 PolarHBondContact O-N 3.08Å
169H98.8Very high97.5Very high0 Ų033.7 Ų33.70%017%0.172CC..EExtended strand (participates in β ladder)trans-146.9119.4169-152.1122.4000111T118 I119 L120 S213 T215 V254 N257T118-H169 PolarHBondContact O-N 3.43Å; I119-H169 CarbonylContact C-O 3.56Å; I119-H169 WeakPolarHBondContact CA-O 3.28Å; I119-H169 HydrophobicContact CB-CB 4.47Å; I119-H169 HydrophobicContact CG1-CB 4.02Å; I119-H169 HydrophobicContact CG2-CB 4.31Å; L120-H169 PolarHBondContact N-O 3.33Å; H169-S213 CarbonylContact C-O 3.57Å; H169-S213 VanDerWaalsContact CA-O 3.28Å; H169-S213 WeakPolarHBondContact CA-O 3.45Å; H169-T215 PolarHBondContact NE2-OG1 3.16Å; H169-V254 PolarHBondContact CE1-O 3.48Å; H169-N257 PolarHBondContact CE1-OD1 3.35Å
170I98.9Very high97.1Very high0 Ų033.3 Ų33.30%017%0.171CC..EExtended strand (participates in β ladder)trans-98.1122.9174.3-52.7-59.7000109.3L120 T155 L159 M162 M199 L202 S213 A214 T215L120-I170 HydrophobicContact CB-CD1 3.89Å; L120-I170 HydrophobicContact CD2-CD1 4.04Å; T155-I170 HydrophobicContact CG2-CD1 4.49Å; L159-I170 HydrophobicContact CD1-CD1 4.41Å; L159-I170 HydrophobicContact CD1-CG1 4.28Å; M162-I170 HydrophobicContact CE-CD1 4.06Å; M162-I170 HydrophobicContact SD-CD1 3.59Å; M162-I170 VanDerWaalsContact SD-CD1 3.59Å; I170-M199 HydrophobicContact CG2-CE 4.15Å; I170-M199 HydrophobicContact CG2-SD 4.19Å; I170-L202 HydrophobicContact CB-CD2 4.3Å; I170-L202 HydrophobicContact CG1-CD2 4.32Å; I170-L202 HydrophobicContact CG2-CD2 4.07Å; I170-S213 PolarHBondContact N-O 2.93Å; I170-A214 HydrophobicContact CB-CB 4.39Å; I170-A214 CarbonylContact O-C 3.54Å; I170-A214 WeakPolarHBondContact O-CA 3.38Å; I170-T215 PolarHBondContact O-N 2.94Å
171V98.9Very high96.7Very high0 Ų033 Ų330%018%0.175CC..EExtended strand (participates in β ladder)trans-115.3129.8179.5-171.80000109.2I119 L120 V121 N122 L173 T215 T250 V254I119-V171 HydrophobicContact CG2-CG2 4.16Å; L120-V171 PolarHBondContact O-N 3.28Å; V121-V171 HydrophobicContact CB-CB 4.36Å; V121-V171 HydrophobicContact CG1-CB 4.16Å; V121-V171 HydrophobicContact CG1-CG1 4.21Å; V121-V171 HydrophobicContact CG2-CB 4.14Å; V121-V171 HydrophobicContact CG2-CG2 4.25Å; N122-V171 WeakPolarHBondContact CB-O 3.41Å; N122-V171 PolarHBondContact N-O 3.2Å; V171-L173 HydrophobicContact CG1-CD2 3.88Å; V171-T215 CarbonylContact C-O 3.55Å; V171-T215 VanDerWaalsContact CA-O 3.3Å; V171-T215 WeakPolarHBondContact CA-O 3.32Å; V171-T250 HydrophobicContact CG1-CG2 3.86Å; V171-V254 HydrophobicContact CG1-CG2 4.4Å; V171-V254 HydrophobicContact CG2-CG2 3.44Å; V171-V254 VanDerWaalsContact CG2-CG2 3.44Å
172C98.7Very high96.4Very high0 Ų030.1 Ų30.10%017%0.165CC..EExtended strand (participates in β ladder)trans-115.4113.8173.6177.10000110.1Q151 N174 M199 T215 T216 V217Q151-C172 PolarHBondContact NE2-SG 2.79Å; Q151-C172 PolarHBondContact OE1-SG 3.15Å; C172-N174 PolarHBondContact O-N 2.87Å; C172-N174 VanDerWaalsContact O-N 3.15Å; C172-M199 HydrophobicContact CB-CE 3.84Å; C172-M199 HydrophobicContact CB-CG 3.46Å; C172-M199 VanDerWaalsContact CB-CG 3.46Å; C172-M199 HydrophobicContact CB-SD 3.61Å; C172-T215 PolarHBondContact N-O 3.41Å; C172-T216 HydrophobicContact CB-CG2 4.37Å; C172-V217 PolarHBondContact O-N 2.97Å
173L98.4Very high95.9Very high6 Ų632.9 Ų32.93%0.03118%0.183CC..EExtended strand (participates in β ladder)trans-80.592.7167.8-80.5-67.7000107.7I50 L54 V121 N122 N123 V171 K192 V217 V246 T250I50-L173 HydrophobicContact CG2-CD1 4.13Å; I50-L173 HydrophobicContact CG2-CG 4.46Å; L54-L173 HydrophobicContact CD1-CD1 4.37Å; L54-L173 HydrophobicContact CD1-CD2 3.83Å; L54-L173 HydrophobicContact CD1-CG 3.94Å; V121-L173 HydrophobicContact CG1-CD2 3.49Å; V121-L173 VanDerWaalsContact CG1-CD2 3.49Å; N122-L173 PolarHBondContact O-N 2.96Å; N123-L173 HydrophobicContact CB-CB 4.04Å; N123-L173 HydrophobicContact CB-CD2 4.2Å; N123-L173 HydrophobicContact CB-CG 4.01Å; V171-L173 HydrophobicContact CG1-CD2 3.88Å; L173-K192 PolarHBondContact O-NZ 2.94Å; L173-V217 HydrophobicContact CD1-CB 4.15Å; L173-V217 HydrophobicContact CD1-CG1 4.35Å; L173-V246 HydrophobicContact CD1-CG1 4.13Å; L173-T250 HydrophobicContact CD1-CG2 4.46Å; L173-T250 HydrophobicContact CD2-CG2 4.15Å
174N97.5Very high95.4Very high4 Ų430.6 Ų30.62%0.02118%0.175CC..  trans-93.8-147.2-179.9-155.5-27000110.1C172 K192 F196 T216 V217 L218 P219C172-N174 PolarHBondContact O-N 2.87Å; C172-N174 VanDerWaalsContact O-N 3.15Å; N174-K192 PolarHBondContact ND2-O 3.16Å; N174-K192 VanDerWaalsContact ND2-O 3.08Å; N174-K192 VanDerWaalsContact OD1-CB 3.27Å; N174-K192 WeakPolarHBondContact OD1-CB 3.23Å; N174-K192 WeakPolarHBondContact OD1-CD 3.33Å; N174-K192 PolarHBondContact OD1-O 3.12Å; N174-F196 VanDerWaalsContact ND2-CA 3.28Å; N174-F196 WeakPolarHBondContact ND2-CA 3.28Å; N174-F196 VanDerWaalsContact ND2-CB 3.32Å; N174-F196 WeakPolarHBondContact ND2-CB 3.45Å; N174-F196 PolarHBondContact ND2-N 3.2Å; N174-F196 VanDerWaalsContact ND2-N 3.19Å; N174-T216 HydrophobicContact CB-CG2 3.99Å; N174-V217 CarbonylContact C-O 3.52Å; N174-V217 VanDerWaalsContact CA-O 3.28Å; N174-V217 WeakPolarHBondContact CA-O 3.47Å; N174-V217 WeakPolarHBondContact CB-O 3.35Å; N174-V217 PolarHBondContact N-O 3.48Å; N174-L218 HydrophobicContact CB-CG 4.3Å; N174-P219 WeakPolarHBondContact O-CD 3.23Å
175S96.5Very high95.1Very high10 Ų1024.3 Ų24.37%0.0715%0.146CC..  trans-158152179.3-1790000110.1L177 A178S175-L177 PolarHBondContact O-N 3.39Å; S175-L177 VanDerWaalsContact O-N 3.13Å; S175-L177 PolarHBondContact OG-N 3.23Å; S175-L177 VanDerWaalsContact OG-N 3.13Å; S175-A178 VanDerWaalsContact O-CB 3.27Å; S175-A178 WeakPolarHBondContact O-CB 3.27Å; S175-A178 PolarHBondContact O-N 2.73Å
176V94.3Very high94.9Very high11 Ų1123.9 Ų23.97%0.06714%0.143CC..G310 helixtrans-57.5-21.3166.2-63.40000112.9A178 L179 S180 L218 P219 F220 M267V176-A178 PolarHBondContact O-N 3.1Å; V176-L179 CarbonylContact O-C 3.59Å; V176-L179 PolarHBondContact O-N 3.1Å; V176-S180 PolarHBondContact O-N 3.44Å; V176-L218 HydrophobicContact CG1-CB 4.31Å; V176-L218 WeakPolarHBondContact CG1-O 3.25Å; V176-P219 PolarHBondContact N-O 2.97Å; V176-F220 HydrophobicContact CG2-CD2 4.1Å; V176-M267 HydrophobicContact CG1-CB 4.17Å; V176-M267 HydrophobicContact CG1-CG 3.93Å; V176-M267 HydrophobicContact CG1-SD 4.27Å
177L93.9Very high94.7Very high19 Ų1918.2 Ų18.210%0.09912%0.117CC..G310 helixtrans-67.3-14175.6-64.6-174.3000113.6S175 L179 S180 I182 Y188S175-L177 PolarHBondContact O-N 3.39Å; S175-L177 VanDerWaalsContact O-N 3.13Å; S175-L177 PolarHBondContact OG-N 3.23Å; S175-L177 VanDerWaalsContact OG-N 3.13Å; L177-L179 VanDerWaalsContact C-N 3.27Å; L177-S180 WeakPolarHBondContact CD2-O 3.02Å; L177-I182 HydrophobicContact CD1-CD1 3.96Å; L177-I182 HydrophobicContact CD1-CG1 4.16Å; L177-I182 HydrophobicContact CD2-CB 4.45Å; L177-I182 HydrophobicContact CD2-CD1 4.03Å; L177-I182 HydrophobicContact CD2-CG1 3.87Å; L177-I182 HydrophobicContact CD2-CG2 3.9Å; L177-Y188 HydrophobicContact CB-CD1 4.27Å; L177-Y188 HydrophobicContact CB-CE1 4.24Å; L177-Y188 HydrophobicContact CD1-CD1 3.8Å; L177-Y188 HydrophobicContact CD1-CE1 3.92Å
178A95.6Very high94.6Very high16 Ų1616.4 Ų16.413%0.13211%0.106CC..G310 helixtrans-65.8-32.7166.500000112.2S175 V176 K192 F196S175-A178 VanDerWaalsContact O-CB 3.27Å; S175-A178 WeakPolarHBondContact O-CB 3.27Å; S175-A178 PolarHBondContact O-N 2.73Å; V176-A178 PolarHBondContact O-N 3.1Å; A178-K192 HydrophobicContact CB-CB 4.12Å; A178-K192 WeakPolarHBondContact CB-O 3.35Å; A178-F196 HydrophobicContact CB-CB 3.91Å; A178-F196 HydrophobicContact CB-CG 4.37Å
179L92.7Very high94.5Very high38 Ų3816.7 Ų16.720%0.19911%0.108CC..THydrogen-bonded Turntrans-101.2-26.6-177.5-58.4-178.1000112.4V176 L177 F196 L218 L262 V271 K274V176-L179 CarbonylContact O-C 3.59Å; V176-L179 PolarHBondContact O-N 3.1Å; L177-L179 VanDerWaalsContact C-N 3.27Å; L179-F196 HydrophobicContact CD2-CD1 3.93Å; L179-F196 HydrophobicContact CD2-CE1 3.64Å; L179-F196 HydrophobicContact CD2-CZ 4.03Å; L179-L218 HydrophobicContact CD1-CD2 3.53Å; L179-L218 HydrophobicContact CG-CD2 3.69Å; L179-L262 HydrophobicContact CD1-CD2 4.41Å; L179-V271 HydrophobicContact CB-CG2 4.49Å; L179-V271 HydrophobicContact CD1-CG2 3.61Å; L179-K274 WeakPolarHBondContact O-CD 3.36Å; L179-K274 WeakPolarHBondContact O-CE 3.34Å; L179-K274 PolarHBondContact O-NZ 2.94Å
180S90.1Very high94.4Very high15 Ų1520 Ų2011%0.10513%0.128CC..SBendtrans-138.791-178.5179.90000110.1V176 L177V176-S180 PolarHBondContact O-N 3.44Å; L177-S180 WeakPolarHBondContact CD2-O 3.02Å
181A91.2Very high94.4Very high59 Ų5920 Ų2049%0.48813%0.128SC..  trans-67.8157.2-177.800000112.7C189A181-C189 HydrophobicContact CB-CB 3.89Å
182I90.2Very high94.3Very high13 Ų1320.1 Ų20.17%0.06713%0.128CC..  trans-131.7153.5176.159.4172.3000110.9L177 A185 M230 T291 C294 M295L177-I182 HydrophobicContact CD1-CD1 3.96Å; L177-I182 HydrophobicContact CD1-CG1 4.16Å; L177-I182 HydrophobicContact CD2-CB 4.45Å; L177-I182 HydrophobicContact CD2-CD1 4.03Å; L177-I182 HydrophobicContact CD2-CG1 3.87Å; L177-I182 HydrophobicContact CD2-CG2 3.9Å; I182-A185 HydrophobicContact CD1-CB 4.24Å; I182-A185 HydrophobicContact CG1-CB 4Å; I182-M230 HydrophobicContact CD1-CE 4.48Å; I182-T291 HydrophobicContact CG2-CG2 4.24Å; I182-C294 VanDerWaalsContact CD1-SG 3.6Å; I182-M295 HydrophobicContact CD1-CG 3.93Å; I182-M295 HydrophobicContact CD1-SD 4.37Å
183P88.6Confident94.3Very high58 Ų5822 Ų2238%0.37714%0.144SC..THydrogen-bonded Turntrans-61.1153.2168.8-20.232.7000112.2A185 Y292P183-A185 PolarHBondContact O-N 3.08Å; P183-Y292 HydrophobicContact CG-CD2 3.6Å; P183-Y292 HydrophobicContact CG-CE2 3.84Å; P183-Y292 HydrophobicContact CG-CG 4.24Å
184G88.1Confident94.3Very high18 Ų1824 Ų2419%0.18616%0.159CC..THydrogen-bonded Turntrans71.913.4177.200000114.6G129 K130 M295G129-G184 CarbonylContact C-O 3.57Å; G129-G184 WeakPolarHBondContact CA-O 3.15Å; K130-G184 PolarHBondContact N-O 3.02Å; K130-G184 CarbonylContact O-C 3.57Å; G184-M295 WeakPolarHBondContact O-CE 3.46Å
185A92.1Very high94.3Very high0 Ų023.8 Ų23.80%016%0.158CC..  trans-143.835.3173.400000111.1I182 P183 D187 Y188 C189 M295I182-A185 HydrophobicContact CD1-CB 4.24Å; I182-A185 HydrophobicContact CG1-CB 4Å; P183-A185 PolarHBondContact O-N 3.08Å; A185-D187 VanDerWaalsContact C-N 3.31Å; A185-D187 PolarHBondContact O-N 3.14Å; A185-Y188 PolarHBondContact O-N 3.28Å; A185-Y188 VanDerWaalsContact O-N 3.17Å; A185-C189 WeakPolarHBondContact O-CB 3.39Å; A185-C189 PolarHBondContact O-N 2.96Å; A185-C189 PolarHBondContact O-SG 2.96Å; A185-M295 HydrophobicContact CB-CE 4.23Å; A185-M295 HydrophobicContact CB-CG 4.45Å
186I93.6Very high94.4Very high63 Ų6324.3 Ų24.332%0.32316%0.158SC..Hα-helixtrans-62.2-39.3-170.7-166.4171.1000112.1L132 Y188 T190L132-I186 HydrophobicContact CB-CD1 4.02Å; L132-I186 HydrophobicContact CB-CG2 4.4Å; L132-I186 HydrophobicContact CD1-CD1 4.44Å; L132-I186 HydrophobicContact CD2-CD1 4.38Å; I186-Y188 PolarHBondContact O-N 3.12Å; I186-T190 HydrophobicContact CG1-CG2 4.25Å; I186-T190 WeakPolarHBondContact O-CB 3.42Å; I186-T190 WeakPolarHBondContact O-CG2 3.14Å; I186-T190 PolarHBondContact O-N 3.11Å; I186-T190 PolarHBondContact O-OG1 3.01Å
187D95.1Very high94.6Very high2 Ų226.4 Ų26.41%0.01118%0.177CC..Hα-helixtrans-61.3-43.1175.770.1-56.8000111.9H128 L140 S143 A185 T190 S191H128-D187 WeakPolarHBondContact CB-OD2 3.28Å; H128-D187 PolarHBondContact N-OD2 2.75Å; L140-D187 HydrophobicContact CD2-CB 3.71Å; S143-D187 WeakPolarHBondContact CB-OD2 3.43Å; S143-D187 PolarHBondContact OG-OD2 3.41Å; A185-D187 VanDerWaalsContact C-N 3.31Å; A185-D187 PolarHBondContact O-N 3.14Å; D187-T190 PolarHBondContact O-OG1 2.84Å; D187-T190 VanDerWaalsContact O-OG1 3.13Å; D187-S191 VanDerWaalsContact O-CB 3.31Å; D187-S191 WeakPolarHBondContact O-CB 3.39Å; D187-S191 PolarHBondContact O-N 3.49Å; D187-S191 VanDerWaalsContact O-N 3.16Å; D187-S191 PolarHBondContact O-OG 3.47Å
188Y95.7Very high94.8Very high13 Ų1327.4 Ų27.45%0.05118%0.181CC..Hα-helixtrans-72.7-47178.9-173.9-93.4000111.7A125 V126 V127 L177 A185 I186 T190 S191 K192 M226 F227A125-Y188 HydrophobicContact CB-CE2 4.47Å; V126-Y188 WeakPolarHBondContact O-CD2 3.25Å; V127-Y188 HydrophobicContact CB-CD2 3.75Å; V127-Y188 HydrophobicContact CB-CG 4.2Å; V127-Y188 HydrophobicContact CG2-CD2 4.35Å; V127-Y188 HydrophobicContact CG2-CG 4.3Å; L177-Y188 HydrophobicContact CB-CD1 4.27Å; L177-Y188 HydrophobicContact CB-CE1 4.24Å; L177-Y188 HydrophobicContact CD1-CD1 3.8Å; L177-Y188 HydrophobicContact CD1-CE1 3.92Å; A185-Y188 PolarHBondContact O-N 3.28Å; A185-Y188 VanDerWaalsContact O-N 3.17Å; I186-Y188 PolarHBondContact O-N 3.12Å; Y188-T190 PolarHBondContact O-N 3.41Å; Y188-S191 PolarHBondContact O-N 3.42Å; Y188-S191 PolarHBondContact O-OG 2.82Å; Y188-K192 HydrophobicContact CD1-CG 3.9Å; Y188-K192 HydrophobicContact CD2-CG 4.34Å; Y188-K192 HydrophobicContact CE1-CG 3.55Å; Y188-K192 HydrophobicContact CE2-CD 4.42Å; Y188-K192 HydrophobicContact CE2-CG 4.07Å; Y188-K192 HydrophobicContact CG-CG 4.3Å; Y188-K192 VanDerWaalsContact CZ-CE 3.45Å; Y188-K192 VanDerWaalsContact O-CB 3.3Å; Y188-K192 WeakPolarHBondContact O-CB 3.31Å; Y188-K192 WeakPolarHBondContact O-CG 3.34Å; Y188-K192 PolarHBondContact O-N 3.29Å; Y188-K192 VanDerWaalsContact OH-CE 3.31Å; Y188-K192 WeakPolarHBondContact OH-CE 3.41Å; Y188-M226 HydrophobicContact CE2-SD 4.37Å; Y188-F227 HydrophobicContact CD1-CZ 4.3Å; Y188-F227 HydrophobicContact CD2-CZ 4.48Å; Y188-F227 AromaticContact CE1-CZ 3.92Å; Y188-F227 HydrophobicContact CE1-CZ 3.92Å; Y188-F227 HydrophobicContact CE2-CZ 4.1Å; Y188-F227 AromaticContact CZ-CZ 3.79Å
189C96.1Very high95Very high6 Ų626.7 Ų26.74%0.04117%0.174CC..Hα-helixtrans-61.3-47.2-179.1-63.60000110.9A181 A185 K192 A193A181-C189 HydrophobicContact CB-CB 3.89Å; A185-C189 WeakPolarHBondContact O-CB 3.39Å; A185-C189 PolarHBondContact O-N 2.96Å; A185-C189 PolarHBondContact O-SG 2.96Å; C189-K192 PolarHBondContact O-N 3.45Å; C189-A193 WeakPolarHBondContact O-CB 3.28Å; C189-A193 PolarHBondContact O-N 3.36Å
190T97Very high95.2Very high68 Ų6829.6 Ų29.642%0.41719%0.187SC..Hα-helixtrans-63.4-44.5178.953.20000111.8Q144 I186 D187 Y188 A193 S194Q144-T190 PolarHBondContact NE2-OG1 3.37Å; I186-T190 HydrophobicContact CG1-CG2 4.25Å; I186-T190 WeakPolarHBondContact O-CB 3.42Å; I186-T190 WeakPolarHBondContact O-CG2 3.14Å; I186-T190 PolarHBondContact O-N 3.11Å; I186-T190 PolarHBondContact O-OG1 3.01Å; D187-T190 PolarHBondContact O-OG1 2.84Å; D187-T190 VanDerWaalsContact O-OG1 3.13Å; Y188-T190 PolarHBondContact O-N 3.41Å; T190-A193 PolarHBondContact O-N 3.2Å; T190-S194 PolarHBondContact O-N 3.41Å
191S97.9Very high95.6Very high0 Ų032.9 Ų32.90%021%0.21CC..Hα-helixtrans-67-40.2178.261.20000113N147 T148 D187 Y188 S194 A195N147-S191 WeakPolarHBondContact CB-OG 3.34Å; N147-S191 PolarHBondContact ND2-OG 3.39Å; T148-S191 WeakPolarHBondContact OG1-CA 3.25Å; T148-S191 PolarHBondContact OG1-O 2.88Å; T148-S191 VanDerWaalsContact OG1-O 3.09Å; D187-S191 VanDerWaalsContact O-CB 3.31Å; D187-S191 WeakPolarHBondContact O-CB 3.39Å; D187-S191 PolarHBondContact O-N 3.49Å; D187-S191 VanDerWaalsContact O-N 3.16Å; D187-S191 PolarHBondContact O-OG 3.47Å; Y188-S191 PolarHBondContact O-N 3.42Å; Y188-S191 PolarHBondContact O-OG 2.82Å; S191-S194 PolarHBondContact O-N 2.92Å; S191-A195 WeakPolarHBondContact O-CB 3.48Å; S191-A195 PolarHBondContact O-N 2.84Å
192K97.8Very high96Very high3 Ų331.3 Ų31.31%0.01319%0.193CC..Hα-helixtrans-68.3-35.3175.7-72.3-51.4-170.2175.30113.2L173 N174 A178 Y188 C189 F196L173-K192 PolarHBondContact O-NZ 2.94Å; N174-K192 PolarHBondContact ND2-O 3.16Å; N174-K192 VanDerWaalsContact ND2-O 3.08Å; N174-K192 VanDerWaalsContact OD1-CB 3.27Å; N174-K192 WeakPolarHBondContact OD1-CB 3.23Å; N174-K192 WeakPolarHBondContact OD1-CD 3.33Å; N174-K192 PolarHBondContact OD1-O 3.12Å; A178-K192 HydrophobicContact CB-CB 4.12Å; A178-K192 WeakPolarHBondContact CB-O 3.35Å; Y188-K192 HydrophobicContact CD1-CG 3.9Å; Y188-K192 HydrophobicContact CD2-CG 4.34Å; Y188-K192 HydrophobicContact CE1-CG 3.55Å; Y188-K192 HydrophobicContact CE2-CD 4.42Å; Y188-K192 HydrophobicContact CE2-CG 4.07Å; Y188-K192 HydrophobicContact CG-CG 4.3Å; Y188-K192 VanDerWaalsContact CZ-CE 3.45Å; Y188-K192 VanDerWaalsContact O-CB 3.3Å; Y188-K192 WeakPolarHBondContact O-CB 3.31Å; Y188-K192 WeakPolarHBondContact O-CG 3.34Å; Y188-K192 PolarHBondContact O-N 3.29Å; Y188-K192 VanDerWaalsContact OH-CE 3.31Å; Y188-K192 WeakPolarHBondContact OH-CE 3.41Å; C189-K192 PolarHBondContact O-N 3.45Å; K192-F196 WeakPolarHBondContact O-CB 2.95Å; K192-F196 PolarHBondContact O-N 3.11Å
193A98.2Very high96.3Very high39 Ų3932.3 Ų32.332%0.32220%0.2SC..Hα-helixtrans-63.7-42.2170.700000111.9C189 T190 F196 A197C189-A193 WeakPolarHBondContact O-CB 3.28Å; C189-A193 PolarHBondContact O-N 3.36Å; T190-A193 PolarHBondContact O-N 3.2Å; A193-F196 WeakPolarHBondContact O-CB 3.14Å; A193-F196 PolarHBondContact O-N 2.79Å; A193-A197 PolarHBondContact O-N 3.02Å
194S98.4Very high96.7Very high49 Ų4935.2 Ų35.234%0.34321%0.212SC..Hα-helixtrans-63.5-46175.5-169.20000112.2T148 T190 S191 F196 A197 F198T148-S194 WeakPolarHBondContact CG2-OG 3.27Å; T190-S194 PolarHBondContact O-N 3.41Å; S191-S194 PolarHBondContact O-N 2.92Å; S194-F196 VanDerWaalsContact C-N 3.27Å; S194-F196 PolarHBondContact O-N 2.77Å; S194-A197 PolarHBondContact O-N 3.29Å; S194-F198 WeakPolarHBondContact O-CB 3.37Å; S194-F198 PolarHBondContact O-N 3.16Å
195A98.3Very high97.2Very high0 Ų037 Ų370%023%0.231CC..Hα-helixtrans-61.1-34173.500000112.8S191 M199S191-A195 WeakPolarHBondContact O-CB 3.48Å; S191-A195 PolarHBondContact O-N 2.84Å; A195-M199 WeakPolarHBondContact O-CG 3.41Å; A195-M199 PolarHBondContact O-N 3.09Å; A195-M199 VanDerWaalsContact O-N 3.08Å
196F98.4Very high97.4Very high20 Ų2037.7 Ų37.79%0.08823%0.234CC..Hα-helixtrans-65.5-52.6175.9-174.4-108.1000111.2N174 A178 L179 K192 A193 S194 F198 M199 E200 T216 L218 L260N174-F196 VanDerWaalsContact ND2-CA 3.28Å; N174-F196 WeakPolarHBondContact ND2-CA 3.28Å; N174-F196 VanDerWaalsContact ND2-CB 3.32Å; N174-F196 WeakPolarHBondContact ND2-CB 3.45Å; N174-F196 PolarHBondContact ND2-N 3.2Å; N174-F196 VanDerWaalsContact ND2-N 3.19Å; A178-F196 HydrophobicContact CB-CB 3.91Å; A178-F196 HydrophobicContact CB-CG 4.37Å; L179-F196 HydrophobicContact CD2-CD1 3.93Å; L179-F196 HydrophobicContact CD2-CE1 3.64Å; L179-F196 HydrophobicContact CD2-CZ 4.03Å; K192-F196 WeakPolarHBondContact O-CB 2.95Å; K192-F196 PolarHBondContact O-N 3.11Å; A193-F196 WeakPolarHBondContact O-CB 3.14Å; A193-F196 PolarHBondContact O-N 2.79Å; S194-F196 VanDerWaalsContact C-N 3.27Å; S194-F196 PolarHBondContact O-N 2.77Å; F196-F198 VanDerWaalsContact C-N 3.26Å; F196-F198 PolarHBondContact O-N 2.9Å; F196-M199 PolarHBondContact O-N 3.23Å; F196-E200 HydrophobicContact CD1-CG 4.33Å; F196-E200 HydrophobicContact CE1-CG 3.89Å; F196-E200 WeakPolarHBondContact CE1-OE1 3.46Å; F196-E200 WeakPolarHBondContact CE1-OE2 3.33Å; F196-E200 HydrophobicContact CE2-CG 4.37Å; F196-E200 HydrophobicContact CZ-CG 3.9Å; F196-E200 PolarHBondContact O-N 2.84Å; F196-T216 HydrophobicContact CD2-CG2 3.98Å; F196-T216 HydrophobicContact CE2-CG2 4.3Å; F196-L218 HydrophobicContact CD2-CD1 4.18Å; F196-L218 HydrophobicContact CD2-CD2 4.07Å; F196-L218 HydrophobicContact CE2-CD1 3.95Å; F196-L218 HydrophobicContact CE2-CD2 4Å; F196-L260 HydrophobicContact CE2-CD1 3.73Å; F196-L260 HydrophobicContact CZ-CD1 4.34Å
197A98.5Very high97.5Very high55 Ų5540.9 Ų40.946%0.45525%0.251SS..Hα-helixtrans-59.5-38.4177.700000112.1A193 S194 E200 S201A193-A197 PolarHBondContact O-N 3.02Å; S194-A197 PolarHBondContact O-N 3.29Å; A197-E200 PolarHBondContact O-N 2.92Å; A197-S201 WeakPolarHBondContact O-CB 2.86Å; A197-S201 PolarHBondContact O-N 3.27Å
198F98.5Very high97.4Very high41 Ų4148.2 Ų48.218%0.1829%0.291CS..Hα-helixtrans-58.1-48.2172.3166.8-109.8000112.3Q151 F152 T155 S194 F196 S201 L202Q151-F198 HydrophobicContact CB-CD1 4.43Å; Q151-F198 HydrophobicContact CB-CE1 4.18Å; F152-F198 HydrophobicContact CD1-CB 4.5Å; F152-F198 HydrophobicContact CD1-CD1 4.1Å; F152-F198 AromaticContact CD1-CD2 3.49Å; F152-F198 HydrophobicContact CD1-CD2 3.49Å; F152-F198 VanDerWaalsContact CD1-CD2 3.49Å; F152-F198 HydrophobicContact CD1-CE1 4.18Å; F152-F198 AromaticContact CD1-CE2 3.57Å; F152-F198 HydrophobicContact CD1-CE2 3.57Å; F152-F198 AromaticContact CD1-CG 3.76Å; F152-F198 HydrophobicContact CD1-CG 3.76Å; F152-F198 AromaticContact CD1-CZ 3.93Å; F152-F198 HydrophobicContact CD1-CZ 3.93Å; F152-F198 HydrophobicContact CE1-CB 3.6Å; F152-F198 AromaticContact CE1-CD1 3.99Å; F152-F198 HydrophobicContact CE1-CD1 3.99Å; F152-F198 AromaticContact CE1-CD2 3.23Å; F152-F198 HydrophobicContact CE1-CD2 3.23Å; F152-F198 AromaticContact CE1-CE2 3.85Å; F152-F198 HydrophobicContact CE1-CE2 3.85Å; F152-F198 AromaticContact CE1-CG 3.31Å; F152-F198 HydrophobicContact CE1-CG 3.31Å; F152-F198 HydrophobicContact CE1-CZ 4.45Å; F152-F198 HydrophobicContact CG-CE2 4.47Å; F152-F198 HydrophobicContact CZ-CB 4.33Å; F152-F198 HydrophobicContact CZ-CD2 4.13Å; F152-F198 HydrophobicContact CZ-CG 4.37Å; T155-F198 HydrophobicContact CG2-CZ 4.11Å; S194-F198 WeakPolarHBondContact O-CB 3.37Å; S194-F198 PolarHBondContact O-N 3.16Å; F196-F198 VanDerWaalsContact C-N 3.26Å; F196-F198 PolarHBondContact O-N 2.9Å; F198-S201 PolarHBondContact O-N 3.35Å; F198-L202 HydrophobicContact CE1-CD2 4.28Å; F198-L202 HydrophobicContact CZ-CD2 4.13Å; F198-L202 WeakPolarHBondContact O-CB 3.5Å; F198-L202 PolarHBondContact O-N 3.46Å
199M98.5Very high97.5Very high0 Ų049.4 Ų49.40%030%0.3CS..Hα-helixtrans-68.8-36-179.2-72.5-62.8-59.600113I170 C172 A195 F196 L202 T203 A214 T216I170-M199 HydrophobicContact CG2-CE 4.15Å; I170-M199 HydrophobicContact CG2-SD 4.19Å; C172-M199 HydrophobicContact CB-CE 3.84Å; C172-M199 HydrophobicContact CB-CG 3.46Å; C172-M199 VanDerWaalsContact CB-CG 3.46Å; C172-M199 HydrophobicContact CB-SD 3.61Å; A195-M199 WeakPolarHBondContact O-CG 3.41Å; A195-M199 PolarHBondContact O-N 3.09Å; A195-M199 VanDerWaalsContact O-N 3.08Å; F196-M199 PolarHBondContact O-N 3.23Å; M199-L202 PolarHBondContact O-N 3.27Å; M199-L202 HydrophobicContact SD-CD2 4.13Å; M199-T203 VanDerWaalsContact O-CB 3.3Å; M199-T203 WeakPolarHBondContact O-CB 3.05Å; M199-T203 PolarHBondContact O-N 2.99Å; M199-T203 PolarHBondContact O-OG1 2.62Å; M199-A214 HydrophobicContact CE-CB 3.83Å; M199-T216 HydrophobicContact CB-CG2 4.28Å; M199-T216 VanDerWaalsContact CB-OG1 3.23Å; M199-T216 WeakPolarHBondContact CB-OG1 3.23Å; M199-T216 HydrophobicContact CG-CG2 4.45Å
200E97.9Very high97.4Very high100 Ų10052.8 Ų52.847%0.46732%0.322SS..Hα-helixtrans-61.3-48.1172.8-71.3-168.5120.800110.9F196 A197 T203 L204F196-E200 HydrophobicContact CD1-CG 4.33Å; F196-E200 HydrophobicContact CE1-CG 3.89Å; F196-E200 WeakPolarHBondContact CE1-OE1 3.46Å; F196-E200 WeakPolarHBondContact CE1-OE2 3.33Å; F196-E200 HydrophobicContact CE2-CG 4.37Å; F196-E200 HydrophobicContact CZ-CG 3.9Å; F196-E200 PolarHBondContact O-N 2.84Å; A197-E200 PolarHBondContact O-N 2.92Å; E200-T203 PolarHBondContact O-N 2.89Å; E200-L204 WeakPolarHBondContact O-CG 3.13Å; E200-L204 PolarHBondContact O-N 3.02Å; E200-L204 VanDerWaalsContact O-N 3.11Å
201S98.4Very high97.3Very high84 Ų8451.5 Ų51.559%0.58732%0.323SS*.Hα-helixtrans-61.1-45.6176.7-174.70000112.2A197 F198 T203 L204 G205A197-S201 WeakPolarHBondContact O-CB 2.86Å; A197-S201 PolarHBondContact O-N 3.27Å; F198-S201 PolarHBondContact O-N 3.35Å; S201-T203 PolarHBondContact O-N 2.91Å; S201-L204 PolarHBondContact O-N 3.36Å; S201-G205 PolarHBondContact O-N 3.23Å
202L98.3Very high97.3Very high25 Ų2551.7 Ų51.713%0.13132%0.324CS..Hα-helixtrans-61.1-44.8176.7177.262.9000111.6T155 L159 I170 F198 M199 L204 G205 L206T155-L202 HydrophobicContact CG2-CD2 4.01Å; L159-L202 HydrophobicContact CD2-CD1 3.78Å; I170-L202 HydrophobicContact CB-CD2 4.3Å; I170-L202 HydrophobicContact CG1-CD2 4.32Å; I170-L202 HydrophobicContact CG2-CD2 4.07Å; F198-L202 HydrophobicContact CE1-CD2 4.28Å; F198-L202 HydrophobicContact CZ-CD2 4.13Å; F198-L202 WeakPolarHBondContact O-CB 3.5Å; F198-L202 PolarHBondContact O-N 3.46Å; M199-L202 PolarHBondContact O-N 3.27Å; M199-L202 HydrophobicContact SD-CD2 4.13Å; L202-L204 VanDerWaalsContact C-N 3.32Å; L202-L204 PolarHBondContact O-N 3.32Å; L202-G205 PolarHBondContact O-N 2.96Å; L202-G205 VanDerWaalsContact O-N 3.13Å; L202-L206 HydrophobicContact CD1-CD1 4.05Å; L202-L206 HydrophobicContact CD1-CG 4.18Å; L202-L206 HydrophobicContact CG-CD1 3.97Å; L202-L206 HydrophobicContact CG-CG 4.48Å; L202-L206 VanDerWaalsContact O-CG 3.29Å; L202-L206 WeakPolarHBondContact O-CG 3.34Å; L202-L206 PolarHBondContact O-N 2.75Å; L202-L206 VanDerWaalsContact O-N 3.09Å
203T97.8Very high97.3Very high35 Ų3553.4 Ų53.422%0.21534%0.336CS..Hα-helixtrans-61.6-42.1-179.1-57.70000111.2M199 E200 S201 L206 A259M199-T203 VanDerWaalsContact O-CB 3.3Å; M199-T203 WeakPolarHBondContact O-CB 3.05Å; M199-T203 PolarHBondContact O-N 2.99Å; M199-T203 PolarHBondContact O-OG1 2.62Å; E200-T203 PolarHBondContact O-N 2.89Å; S201-T203 PolarHBondContact O-N 2.91Å; T203-L206 PolarHBondContact O-N 2.87Å; T203-A259 HydrophobicContact CG2-CB 4.24Å
204L97.3Very high97.4Very high118 Ų11851.8 Ų51.862%0.61832%0.323SS*.Hα-helixtrans-64.9-39.7174.1-68.2173.9000112.1E200 S201 L202 L206 L207E200-L204 WeakPolarHBondContact O-CG 3.13Å; E200-L204 PolarHBondContact O-N 3.02Å; E200-L204 VanDerWaalsContact O-N 3.11Å; S201-L204 PolarHBondContact O-N 3.36Å; L202-L204 VanDerWaalsContact C-N 3.32Å; L202-L204 PolarHBondContact O-N 3.32Å; L204-L206 PolarHBondContact O-N 2.88Å; L204-L207 HydrophobicContact CD2-CD1 4.14Å; L204-L207 VanDerWaalsContact O-CG 3.29Å; L204-L207 WeakPolarHBondContact O-CG 3.27Å; L204-L207 PolarHBondContact O-N 2.94Å
205G97.6Very high97.4Very high57 Ų5749.5 Ų49.559%0.58831%0.306SS*.Hα-helixtrans-65.8-17.1176.500000114.6S201 L202S201-G205 PolarHBondContact O-N 3.23Å; L202-G205 PolarHBondContact O-N 2.96Å; L202-G205 VanDerWaalsContact O-N 3.13Å
206L97.3Very high97.4Very high13 Ų1349.7 Ų49.77%0.06831%0.308CS..THydrogen-bonded Turntrans-96.90.4-179.9-68.1172.9000113.9L159 L163 L202 T203 L204 D208 C209 V212 A214L159-L206 HydrophobicContact CD1-CD2 4.27Å; L163-L206 HydrophobicContact CD2-CD2 3.97Å; L202-L206 HydrophobicContact CD1-CD1 4.05Å; L202-L206 HydrophobicContact CD1-CG 4.18Å; L202-L206 HydrophobicContact CG-CD1 3.97Å; L202-L206 HydrophobicContact CG-CG 4.48Å; L202-L206 VanDerWaalsContact O-CG 3.29Å; L202-L206 WeakPolarHBondContact O-CG 3.34Å; L202-L206 PolarHBondContact O-N 2.75Å; L202-L206 VanDerWaalsContact O-N 3.09Å; T203-L206 PolarHBondContact O-N 2.87Å; L204-L206 PolarHBondContact O-N 2.88Å; L206-D208 PolarHBondContact O-N 3.24Å; L206-D208 VanDerWaalsContact O-N 3.14Å; L206-C209 HydrophobicContact CB-CB 4.46Å; L206-C209 HydrophobicContact CD2-CB 3.99Å; L206-C209 WeakPolarHBondContact O-CB 3.5Å; L206-C209 PolarHBondContact O-N 3.13Å; L206-V212 HydrophobicContact CD1-CG1 4.16Å; L206-V212 HydrophobicContact CD2-CB 4.4Å; L206-V212 HydrophobicContact CD2-CG1 3.86Å; L206-A214 HydrophobicContact CD1-CB 4.25Å
207L93.9Very high97.4Very high130 Ų13048.7 Ų48.768%0.68130%0.303SS*.THydrogen-bonded Turntrans-55.6-35-175.8-73.2173.5000113.6L204L204-L207 HydrophobicContact CD2-CD1 4.14Å; L204-L207 VanDerWaalsContact O-CG 3.29Å; L204-L207 WeakPolarHBondContact O-CG 3.27Å; L204-L207 PolarHBondContact O-N 2.94Å
208D94.1Very high97.4Very high157 Ų15746.1 Ų46.184%0.8428%0.282SS*.THydrogen-bonded Turntrans-102.715.6-179.7-60.5-45.5000112.9L206 P210L206-D208 PolarHBondContact O-N 3.24Å; L206-D208 VanDerWaalsContact O-N 3.14Å; D208-P210 WeakPolarHBondContact O-CD 3.4Å
209C96.8Very high97.2Very high37 Ų3744.5 Ų44.525%0.2528%0.276CS..SBendtrans-10490179.6-66.90000110.4L163 L206 G211 V212L163-C209 HydrophobicContact CD2-CB 3.75Å; L206-C209 HydrophobicContact CB-CB 4.46Å; L206-C209 HydrophobicContact CD2-CB 3.99Å; L206-C209 WeakPolarHBondContact O-CB 3.5Å; L206-C209 PolarHBondContact O-N 3.13Å; C209-G211 PolarHBondContact O-N 2.91Å; C209-V212 HydrophobicContact CB-CB 4.37Å; C209-V212 PolarHBondContact O-N 3.19Å
210P94.6Very high96.8Very high78 Ų7846.2 Ų46.251%0.50628%0.283SS..THydrogen-bonded Turntrans-58.5135-175.725-35000111.5Q166 D208 V212Q166-P210 WeakPolarHBondContact CA-O 3.21Å; Q166-P210 WeakPolarHBondContact CB-O 3.45Å; Q166-P210 HydrophobicContact CG-CG 4.34Å; D208-P210 WeakPolarHBondContact O-CD 3.4Å; P210-V212 PolarHBondContact O-N 3.24Å
211G95.8Very high96.2Very high41 Ų4142.9 Ų42.942%0.42327%0.267SS..THydrogen-bonded Turntrans75.21.7176.600000115.8Q166 N167 G168 C209Q166-G211 WeakPolarHBondContact O-CA 3.41Å; N167-G211 WeakPolarHBondContact CA-O 3.18Å; G168-G211 PolarHBondContact N-O 3.35Å; C209-G211 PolarHBondContact O-N 2.91Å
212V98.3Very high95.4Very high4 Ų439.2 Ų39.22%0.02424%0.242CC..EExtended strand (participates in β ladder)trans-112.9129.8172.4-173.30000109.9L159 M162 L163 G168 L206 C209 P210L159-V212 HydrophobicContact CD1-CG1 3.75Å; M162-V212 HydrophobicContact CB-CG2 4.32Å; M162-V212 WeakPolarHBondContact O-CG2 3.41Å; L163-V212 HydrophobicContact CD2-CB 4.24Å; L163-V212 HydrophobicContact CD2-CG1 4.32Å; L163-V212 HydrophobicContact CD2-CG2 3.99Å; G168-V212 WeakPolarHBondContact O-CA 3.42Å; L206-V212 HydrophobicContact CD1-CG1 4.16Å; L206-V212 HydrophobicContact CD2-CB 4.4Å; L206-V212 HydrophobicContact CD2-CG1 3.86Å; C209-V212 HydrophobicContact CB-CB 4.37Å; C209-V212 PolarHBondContact O-N 3.19Å; P210-V212 PolarHBondContact O-N 3.24Å
213S97.8Very high94.7Very high39 Ų3941.3 Ų41.327%0.27326%0.258SS..EExtended strand (participates in β ladder)trans-140.2170.3-177.4-64.60000111.7G168 H169 I170G168-S213 PolarHBondContact O-N 3.08Å; H169-S213 CarbonylContact C-O 3.57Å; H169-S213 VanDerWaalsContact CA-O 3.28Å; H169-S213 WeakPolarHBondContact CA-O 3.45Å; I170-S213 PolarHBondContact N-O 2.93Å
214A98.5Very high94Very high5 Ų541.1 Ų41.14%0.04126%0.257CS..EExtended strand (participates in β ladder)trans-136.2148.4177.700000111.4I170 M199 L206 A259I170-A214 HydrophobicContact CB-CB 4.39Å; I170-A214 CarbonylContact O-C 3.54Å; I170-A214 WeakPolarHBondContact O-CA 3.38Å; M199-A214 HydrophobicContact CE-CB 3.83Å; L206-A214 HydrophobicContact CD1-CB 4.25Å; A214-A259 WeakPolarHBondContact O-CA 3.19Å
215T98.7Very high93.2Very high0 Ų040.8 Ų40.80%025%0.252CS..EExtended strand (participates in β ladder)trans-133.3127.3175-670000110H169 I170 V171 C172 V217 A253 Q258 A259H169-T215 PolarHBondContact NE2-OG1 3.16Å; I170-T215 PolarHBondContact O-N 2.94Å; V171-T215 CarbonylContact C-O 3.55Å; V171-T215 VanDerWaalsContact CA-O 3.3Å; V171-T215 WeakPolarHBondContact CA-O 3.32Å; C172-T215 PolarHBondContact N-O 3.41Å; T215-V217 HydrophobicContact CG2-CG2 3.88Å; T215-A253 HydrophobicContact CG2-CB 4.03Å; T215-Q258 VanDerWaalsContact CB-O 3.31Å; T215-Q258 WeakPolarHBondContact CB-O 3.36Å; T215-Q258 VanDerWaalsContact CG2-O 3.23Å; T215-Q258 WeakPolarHBondContact CG2-O 3.32Å; T215-Q258 PolarHBondContact OG1-O 3.19Å; T215-A259 CarbonylContact C-O 3.33Å; T215-A259 WeakPolarHBondContact CA-O 3.16Å
216T98.7Very high92.5Very high4 Ų440.7 Ų40.73%0.02524%0.237CC..EExtended strand (participates in β ladder)trans-110.4123.3173.4-49.40000109.5C172 N174 F196 M199 L218 A259 L260 L261C172-T216 HydrophobicContact CB-CG2 4.37Å; N174-T216 HydrophobicContact CB-CG2 3.99Å; F196-T216 HydrophobicContact CD2-CG2 3.98Å; F196-T216 HydrophobicContact CE2-CG2 4.3Å; M199-T216 HydrophobicContact CB-CG2 4.28Å; M199-T216 VanDerWaalsContact CB-OG1 3.23Å; M199-T216 WeakPolarHBondContact CB-OG1 3.23Å; M199-T216 HydrophobicContact CG-CG2 4.45Å; T216-L218 HydrophobicContact CG2-CD1 3.74Å; T216-A259 PolarHBondContact N-O 3.31Å; T216-L260 WeakPolarHBondContact O-CA 3.46Å; T216-L261 PolarHBondContact O-N 3.17Å
217V98.4Very high91.8Very high0 Ų041 Ų410%024%0.238CC..EExtended strand (participates in β ladder)trans-110.1125.1-178.7-170.90000109.5C172 L173 N174 T215 P219 T250 L261 L263C172-V217 PolarHBondContact O-N 2.97Å; L173-V217 HydrophobicContact CD1-CB 4.15Å; L173-V217 HydrophobicContact CD1-CG1 4.35Å; N174-V217 CarbonylContact C-O 3.52Å; N174-V217 VanDerWaalsContact CA-O 3.28Å; N174-V217 WeakPolarHBondContact CA-O 3.47Å; N174-V217 WeakPolarHBondContact CB-O 3.35Å; N174-V217 PolarHBondContact N-O 3.48Å; T215-V217 HydrophobicContact CG2-CG2 3.88Å; V217-P219 VanDerWaalsContact C-CD 3.49Å; V217-P219 VanDerWaalsContact O-CD 3.25Å; V217-P219 WeakPolarHBondContact O-CD 3.21Å; V217-T250 HydrophobicContact CG2-CG2 3.9Å; V217-L261 CarbonylContact C-O 3.51Å; V217-L261 WeakPolarHBondContact CA-O 3.31Å; V217-L261 HydrophobicContact CG1-CB 4.46Å; V217-L261 HydrophobicContact CG1-CD2 3.98Å; V217-L261 HydrophobicContact CG1-CG 4.29Å; V217-L261 HydrophobicContact CG2-CB 4.45Å; V217-L261 HydrophobicContact CG2-CD2 4.37Å; V217-L263 HydrophobicContact CG1-CD1 4.04Å
218L97.6Very high91.3Very high0 Ų040.2 Ų40.20%023%0.231CC..EExtended strand (participates in β ladder)trans-117.181.9-179.5-68.781.5000108.7N174 V176 L179 F196 T216 L260 L261 L262 L263N174-L218 HydrophobicContact CB-CG 4.3Å; V176-L218 HydrophobicContact CG1-CB 4.31Å; V176-L218 WeakPolarHBondContact CG1-O 3.25Å; L179-L218 HydrophobicContact CD1-CD2 3.53Å; L179-L218 HydrophobicContact CG-CD2 3.69Å; F196-L218 HydrophobicContact CD2-CD1 4.18Å; F196-L218 HydrophobicContact CD2-CD2 4.07Å; F196-L218 HydrophobicContact CE2-CD1 3.95Å; F196-L218 HydrophobicContact CE2-CD2 4Å; T216-L218 HydrophobicContact CG2-CD1 3.74Å; L218-L260 HydrophobicContact CD1-CD1 3.39Å; L218-L261 PolarHBondContact N-O 3.5Å; L218-L262 HydrophobicContact CB-CG 4.32Å; L218-L263 PolarHBondContact O-N 3.36Å
219P95.3Very high90.5Very high8 Ų834 Ų345%0.05220%0.204CC..EExtended strand (participates in β ladder)trans-72.5143172.731.9-33.5000111N174 V176 V217 L241 V246 L263N174-P219 WeakPolarHBondContact O-CD 3.23Å; V176-P219 PolarHBondContact N-O 2.97Å; V217-P219 VanDerWaalsContact C-CD 3.49Å; V217-P219 VanDerWaalsContact O-CD 3.25Å; V217-P219 WeakPolarHBondContact O-CD 3.21Å; P219-L241 HydrophobicContact CB-CD1 4.03Å; P219-V246 HydrophobicContact CB-CG1 4.13Å; P219-V246 HydrophobicContact CB-CG2 4.04Å; P219-V246 HydrophobicContact CG-CG1 4.27Å; P219-L263 CarbonylContact C-O 3.58Å
220F89.8Confident90Very high36 Ų3633.7 Ų33.716%0.15820%0.199CC..  trans-63.8173.3158.4-176.1-109.4000109.6V176 T222 F238 L241 L263 M267V176-F220 HydrophobicContact CG2-CD2 4.1Å; F220-T222 PolarHBondContact O-N 3.16Å; F220-T222 VanDerWaalsContact O-N 3.08Å; F220-T222 PolarHBondContact O-OG1 3.15Å; F220-F238 HydrophobicContact CE1-CB 4.15Å; F220-F238 HydrophobicContact CZ-CB 4.16Å; F220-L241 HydrophobicContact CB-CD1 4.28Å; F220-L263 WeakPolarHBondContact CB-O 3.41Å; F220-L263 PolarHBondContact N-O 2.88Å; F220-M267 HydrophobicContact CB-CG 4.23Å; F220-M267 HydrophobicContact CB-SD 4.11Å; F220-M267 HydrophobicContact CD2-CE 4.46Å; F220-M267 HydrophobicContact CD2-SD 3.68Å; F220-M267 HydrophobicContact CE2-SD 4.5Å; F220-M267 HydrophobicContact CG-SD 4.11Å
221H85.1Confident89.3Confident29 Ų2938.3 Ų38.313%0.13421%0.206CC..SBendtrans-42.4120.7179.2174.368.1000111.6M230 P240 L241H221-M230 HydrophobicContact CB-CE 4.33Å; H221-M230 PolarHBondContact ND1-SD 2.97Å; H221-P240 CarbonylContact O-C 3.57Å; H221-P240 WeakPolarHBondContact O-CA 3.32Å; H221-L241 PolarHBondContact O-N 3.38Å
222T83Confident88.6Confident8 Ų838 Ų385%0.04920%0.196CC..BIsolated β-bridgetrans-112.2132.1-177.4-53.50000109I50 F220 T224 L241 P243 V246I50-T222 HydrophobicContact CD1-CG2 4.02Å; I50-T222 HydrophobicContact CG1-CG2 4.15Å; F220-T222 PolarHBondContact O-N 3.16Å; F220-T222 VanDerWaalsContact O-N 3.08Å; F220-T222 PolarHBondContact O-OG1 3.15Å; T222-T224 VanDerWaalsContact C-N 3.32Å; T222-T224 HydrophobicContact CG2-CG2 3.97Å; T222-T224 PolarHBondContact O-N 3.24Å; T222-T224 PolarHBondContact O-OG1 3.5Å; T222-L241 CarbonylContact C-O 3.55Å; T222-L241 WeakPolarHBondContact CA-O 3.39Å; T222-L241 HydrophobicContact CG2-CB 4.4Å; T222-L241 VanDerWaalsContact CG2-O 3.31Å; T222-L241 WeakPolarHBondContact CG2-O 3.28Å; T222-P243 HydrophobicContact CG2-CB 4.41Å; T222-P243 HydrophobicContact CG2-CG 4.02Å; T222-V246 HydrophobicContact CG2-CG2 3.93Å
223S82.6Confident87.9Confident68 Ų6844.8 Ų44.848%0.47622%0.221SC..  trans-68.385.5-179.7-63.10000111.5P240 L241 P243S223-P240 WeakPolarHBondContact OG-CB 3.3Å; S223-L241 PolarHBondContact N-O 2.95Å; S223-P243 VanDerWaalsContact O-CG 3.31Å; S223-P243 WeakPolarHBondContact O-CG 3.09Å
224T83.6Confident87.3Confident31 Ų3145.7 Ų45.719%0.1922%0.22CC..SBendtrans-131.8161.9178.260.90000110.2I50 T222 M226 F227 P243I50-T224 HydrophobicContact CG1-CG2 4.11Å; T222-T224 VanDerWaalsContact C-N 3.32Å; T222-T224 HydrophobicContact CG2-CG2 3.97Å; T222-T224 PolarHBondContact O-N 3.24Å; T222-T224 PolarHBondContact O-OG1 3.5Å; T224-M226 PolarHBondContact O-N 3.21Å; T224-M226 VanDerWaalsContact O-N 3.16Å; T224-F227 PolarHBondContact O-N 2.83Å; T224-P243 HydrophobicContact CG2-CB 4.5Å; T224-P243 HydrophobicContact CG2-CG 3.8Å
225E79.4Confident86.4Confident112 Ų11248.5 Ų48.552%0.52324%0.238SC..G310 helixtrans-55.9-29.3173.9-62.5179162.200113R48 F227 Q228R48-E225 IonicContact CZ-OE2 2.84Å; R48-E225 IonicContact NH1-OE2 2.92Å; R48-E225 PolarHBondContact NH1-OE2 3.48Å; E225-F227 VanDerWaalsContact C-N 3.28Å; E225-F227 PolarHBondContact O-N 2.98Å; E225-Q228 WeakPolarHBondContact O-CB 3.48Å; E225-Q228 PolarHBondContact O-N 3.02Å
226M83.3Confident85.7Confident55 Ų5556.2 Ų56.227%0.27128%0.28SS..G310 helixtrans-59.4-37.9-178.2-179.2-180-6700112.8A125 V127 Y188 T224 F298A125-M226 HydrophobicContact CB-CE 4.06Å; A125-M226 WeakPolarHBondContact O-CE 3.27Å; V127-M226 HydrophobicContact CG1-CG 3.52Å; V127-M226 HydrophobicContact CG1-SD 4.14Å; Y188-M226 HydrophobicContact CE2-SD 4.37Å; T224-M226 PolarHBondContact O-N 3.21Å; T224-M226 VanDerWaalsContact O-N 3.16Å; M226-F298 VanDerWaalsContact O-CE2 3.24Å; M226-F298 WeakPolarHBondContact O-CE2 3.35Å
227F82.5Confident84.7Confident20 Ų2061.7 Ų61.79%0.08831%0.308CS..G310 helixtrans-107.327-178.9-73.2-81.6000112.3V127 Y188 T224 E225 G229 M230 F298V127-F227 HydrophobicContact CG1-CE1 4.44Å; V127-F227 HydrophobicContact CG1-CZ 4.38Å; Y188-F227 HydrophobicContact CD1-CZ 4.3Å; Y188-F227 HydrophobicContact CD2-CZ 4.48Å; Y188-F227 AromaticContact CE1-CZ 3.92Å; Y188-F227 HydrophobicContact CE1-CZ 3.92Å; Y188-F227 HydrophobicContact CE2-CZ 4.1Å; Y188-F227 AromaticContact CZ-CZ 3.79Å; T224-F227 PolarHBondContact O-N 2.83Å; E225-F227 VanDerWaalsContact C-N 3.28Å; E225-F227 PolarHBondContact O-N 2.98Å; F227-G229 PolarHBondContact O-N 3.23Å; F227-M230 HydrophobicContact CB-CB 4.32Å; F227-M230 HydrophobicContact CB-SD 4.44Å; F227-M230 HydrophobicContact CD1-SD 3.91Å; F227-M230 HydrophobicContact CG-SD 4.44Å; F227-M230 VanDerWaalsContact O-CB 3.32Å; F227-M230 WeakPolarHBondContact O-CB 3.45Å; F227-M230 PolarHBondContact O-N 3.31Å; F227-F298 HydrophobicContact CD1-CE2 4.33Å
228Q82.8Confident83.9Confident113 Ų11365.2 Ų65.253%0.52832%0.323SS..THydrogen-bonded Turntrans-60.6127.5179.1-167.9178.324.400110.9E225 K299E225-Q228 WeakPolarHBondContact O-CB 3.48Å; E225-Q228 PolarHBondContact O-N 3.02Å; Q228-K299 PolarHBondContact O-N 3.41Å
229G79.1Confident83.3Confident26 Ų2668.9 Ų68.927%0.26835%0.347SS..THydrogen-bonded Turntrans90.1-6.9-17800000114.8F227 T297F227-G229 PolarHBondContact O-N 3.23Å; G229-T297 CarbonylContact C-O 2.96Å; G229-T297 VanDerWaalsContact CA-O 3.31Å; G229-T297 WeakPolarHBondContact CA-O 3.13Å; G229-T297 CarbonylContact O-C 3.42Å; G229-T297 VanDerWaalsContact O-C 3.24Å; G229-T297 WeakPolarHBondContact O-CB 3.34Å; G229-T297 VanDerWaalsContact O-O 3.09Å; G229-T297 PolarHBondContact O-OG1 3.4Å
230M84.6Confident83Confident30 Ų3070.8 Ų70.815%0.14836%0.359CS..  trans-64.8134.7168-176.4-175.4169.900110.1I182 H221 F227 C294 M295I182-M230 HydrophobicContact CD1-CE 4.48Å; H221-M230 HydrophobicContact CB-CE 4.33Å; H221-M230 PolarHBondContact ND1-SD 2.97Å; F227-M230 HydrophobicContact CB-CB 4.32Å; F227-M230 HydrophobicContact CB-SD 4.44Å; F227-M230 HydrophobicContact CD1-SD 3.91Å; F227-M230 HydrophobicContact CG-SD 4.44Å; F227-M230 VanDerWaalsContact O-CB 3.32Å; F227-M230 WeakPolarHBondContact O-CB 3.45Å; F227-M230 PolarHBondContact O-N 3.31Å; M230-C294 VanDerWaalsContact CA-O 3.29Å; M230-C294 WeakPolarHBondContact CA-O 3.37Å; M230-C294 HydrophobicContact CE-CB 4.2Å; M230-C294 HydrophobicContact CG-CB 4.29Å; M230-C294 WeakPolarHBondContact CG-O 3.25Å; M230-M295 HydrophobicContact CB-SD 4.49Å; M230-M295 HydrophobicContact CG-SD 4.16Å; M230-M295 HydrophobicContact SD-SD 4.34Å
231R81.4Confident83.1Confident176 Ų17670.2 Ų70.266%0.66436%0.358SS*.  trans-121.4124.7-179.4-70.3-176.5178.4-170.80.5111.8C294R231-C294 PolarHBondContact N-O 3.39Å; R231-C294 VanDerWaalsContact O-CA 3.31Å; R231-C294 WeakPolarHBondContact O-CA 3.31Å; R231-C294 WeakPolarHBondContact O-CB 3.25Å
232V81.1Confident83.5Confident33 Ų3375.7 Ų75.720%0.238%0.381CS..  trans-92.2132.6170.1-177.30000108.3F234 F238V232-F234 VanDerWaalsContact C-N 3.35Å; V232-F234 PolarHBondContact O-N 3.21Å; V232-F238 HydrophobicContact CG1-CB 4.28Å
233R83.1Confident84.1Confident147 Ų14776 Ų7656%0.55538%0.384SS*.SBendtrans-63.4-39.1-176.7-170.8-178.3-179.4165.92.3112.9P235 R287 F288 S289R233-P235 VanDerWaalsContact C-CD 3.49Å; R233-P235 VanDerWaalsContact O-CD 3.31Å; R233-P235 WeakPolarHBondContact O-CD 3.19Å; R233-R287 PolarHBondContact NH1-O 3.45Å; R233-F288 WeakPolarHBondContact CD-O 3.32Å; R233-F288 PolarHBondContact NH1-O 2.63Å; R233-S289 WeakPolarHBondContact CB-O 3.38Å
234F84.9Confident84.7Confident58 Ų5877.2 Ų77.225%0.25438%0.382SS..  trans-118.872.1-178.3-52.4-62.8000111.2V232 N236 L237 F238 F288V232-F234 VanDerWaalsContact C-N 3.35Å; V232-F234 PolarHBondContact O-N 3.21Å; F234-N236 PolarHBondContact O-N 3.12Å; F234-L237 HydrophobicContact CB-CB 4Å; F234-L237 PolarHBondContact O-N 3.47Å; F234-L237 VanDerWaalsContact O-N 3.09Å; F234-F238 HydrophobicContact CB-CD2 4.31Å; F234-F238 PolarHBondContact O-N 3.32Å; F234-F288 HydrophobicContact CD2-CE1 4.48Å; F234-F288 HydrophobicContact CE2-CD1 4.01Å; F234-F288 AromaticContact CE2-CE1 3.67Å; F234-F288 HydrophobicContact CE2-CE1 3.67Å; F234-F288 HydrophobicContact CE2-CE2 4.43Å; F234-F288 AromaticContact CE2-CZ 3.91Å; F234-F288 HydrophobicContact CE2-CZ 3.91Å; F234-F288 VanDerWaalsContact CE2-O 3.25Å; F234-F288 WeakPolarHBondContact CE2-O 3.47Å; F234-F288 HydrophobicContact CZ-CE1 4.2Å; F234-F288 HydrophobicContact CZ-CE2 4.24Å; F234-F288 AromaticContact CZ-CZ 3.95Å; F234-F288 HydrophobicContact CZ-CZ 3.95Å
235P80.7Confident85.3Confident64 Ų6478 Ų7842%0.41639%0.387SS..THydrogen-bonded Turntrans-65.4-24.1-175.327.5-35000113.1R233 F238 P239R233-P235 VanDerWaalsContact C-CD 3.49Å; R233-P235 VanDerWaalsContact O-CD 3.31Å; R233-P235 WeakPolarHBondContact O-CD 3.19Å; P235-F238 CarbonylContact O-C 3.44Å; P235-P239 WeakPolarHBondContact O-CA 3.18Å
236N82.6Confident86.2Confident163 Ų16372.7 Ų72.787%0.87236%0.362SS*.THydrogen-bonded Turntrans-75.4-28176-64.2-18.3000112.5F234F234-N236 PolarHBondContact O-N 3.12Å
237L78.6Confident86.9Confident118 Ų11870.1 Ų70.162%0.61835%0.349SS*.THydrogen-bonded Turntrans-89.6-34.4179.1-171.361.3000111.6F234 P239F234-L237 HydrophobicContact CB-CB 4Å; F234-L237 PolarHBondContact O-N 3.47Å; F234-L237 VanDerWaalsContact O-N 3.09Å; L237-P239 VanDerWaalsContact C-CD 3.49Å; L237-P239 WeakPolarHBondContact O-CD 3.31Å
238F81.9Confident87.7Confident75 Ų7573.7 Ų73.733%0.32936%0.362SS..SBendtrans-126.171.5178.2-54.2-71.1000110.1F220 V232 F234 P235F220-F238 HydrophobicContact CE1-CB 4.15Å; F220-F238 HydrophobicContact CZ-CB 4.16Å; V232-F238 HydrophobicContact CG1-CB 4.28Å; F234-F238 HydrophobicContact CB-CD2 4.31Å; F234-F238 PolarHBondContact O-N 3.32Å; P235-F238 CarbonylContact O-C 3.44Å
239P85.1Confident88.4Confident77 Ų7771.9 Ų71.950%0.535%0.351SS..PPolyproline II helixtrans-64.6137.9-176.525.5-33.8000111.3P235 L237P235-P239 WeakPolarHBondContact O-CA 3.18Å; L237-P239 VanDerWaalsContact C-CD 3.49Å; L237-P239 WeakPolarHBondContact O-CD 3.31Å
240P87.8Confident89.3Confident47 Ų4770.7 Ų70.731%0.30534%0.338SS..PPolyproline II helixtrans-54.6141168.9-24.333000111.7H221 S223H221-P240 CarbonylContact O-C 3.57Å; H221-P240 WeakPolarHBondContact O-CA 3.32Å; S223-P240 WeakPolarHBondContact OG-CB 3.3Å
241L92.1Very high90Very high24 Ų2469.2 Ų69.213%0.12633%0.331CS..BIsolated β-bridgetrans-75143173.7-64.7176.5000110.7P219 F220 H221 T222 S223 V246 L263P219-L241 HydrophobicContact CB-CD1 4.03Å; F220-L241 HydrophobicContact CB-CD1 4.28Å; H221-L241 PolarHBondContact O-N 3.38Å; T222-L241 CarbonylContact C-O 3.55Å; T222-L241 WeakPolarHBondContact CA-O 3.39Å; T222-L241 HydrophobicContact CG2-CB 4.4Å; T222-L241 VanDerWaalsContact CG2-O 3.31Å; T222-L241 WeakPolarHBondContact CG2-O 3.28Å; S223-L241 PolarHBondContact N-O 2.95Å; L241-V246 HydrophobicContact CB-CG2 3.97Å; L241-V246 HydrophobicContact CD1-CG2 4.04Å; L241-L263 HydrophobicContact CD1-CB 3.79Å
242K94Very high90.7Very high145 Ų14562.2 Ų62.263%0.6331%0.306SS*.PPolyproline II helixtrans-77135.8168.6-66-172.8-178.5-178.70110E244 T245 V246K242-E244 WeakPolarHBondContact CB-OE2 3.31Å; K242-E244 PolarHBondContact O-N 3.46Å; K242-T245 WeakPolarHBondContact O-CB 3.31Å; K242-T245 PolarHBondContact O-N 3.22Å; K242-V246 PolarHBondContact O-N 3.31Å; K242-V246 VanDerWaalsContact O-N 3.17Å
243P94.8Very high91.5Very high15 Ų1560.7 Ų60.710%0.09730%0.296CS..Hα-helixtrans-53.5-37177.5-27.735.9000113.9I50 H53 T222 S223 T224 T245 V246 A247I50-P243 HydrophobicContact CG1-CB 4.26Å; H53-P243 VanDerWaalsContact CD2-CB 3.46Å; H53-P243 WeakPolarHBondContact CD2-CB 3.18Å; T222-P243 HydrophobicContact CG2-CB 4.41Å; T222-P243 HydrophobicContact CG2-CG 4.02Å; S223-P243 VanDerWaalsContact O-CG 3.31Å; S223-P243 WeakPolarHBondContact O-CG 3.09Å; T224-P243 HydrophobicContact CG2-CB 4.5Å; T224-P243 HydrophobicContact CG2-CG 3.8Å; P243-T245 VanDerWaalsContact C-N 3.3Å; P243-T245 PolarHBondContact O-N 3.26Å; P243-V246 PolarHBondContact O-N 2.93Å; P243-A247 WeakPolarHBondContact O-CB 3.43Å; P243-A247 PolarHBondContact O-N 3.44Å
244E96.1Very high92.2Very high92 Ų9253.7 Ų53.743%0.4327%0.27SS..Hα-helixtrans-61.1-40.1175.8-58.675.8-173.300111.3H53 K242 A247 R248H53-E244 IonicContact CE1-OE1 3.29Å; H53-E244 PolarHBondContact CE1-OE1 2.85Å; H53-E244 IonicContact ND1-OE1 3.14Å; H53-E244 IonicContact NE2-OE1 3.9Å; H53-E244 PolarHBondContact NE2-OE1 3.07Å; K242-E244 WeakPolarHBondContact CB-OE2 3.31Å; K242-E244 PolarHBondContact O-N 3.46Å; E244-A247 PolarHBondContact O-N 3.37Å; E244-R248 VanDerWaalsContact O-CB 3.32Å; E244-R248 WeakPolarHBondContact O-CB 3.06Å; E244-R248 PolarHBondContact O-N 3.2Å
245T96.6Very high92.8Very high49 Ų4951.8 Ų51.830%0.30126%0.262SS..Hα-helixtrans-68.4-40.1178.2-60.10000111K242 P243 R249K242-T245 WeakPolarHBondContact O-CB 3.31Å; K242-T245 PolarHBondContact O-N 3.22Å; P243-T245 VanDerWaalsContact C-N 3.3Å; P243-T245 PolarHBondContact O-N 3.26Å; T245-R249 HydrophobicContact CG2-CG 4.33Å; T245-R249 WeakPolarHBondContact O-CB 3.39Å; T245-R249 WeakPolarHBondContact O-CG 3.32Å; T245-R249 PolarHBondContact O-N 2.97Å
246V97.9Very high93.4Very high0 Ų052 Ų520%026%0.257CS..Hα-helixtrans-63.7-45.3175.5-179.90000110.3I50 L173 P219 T222 L241 K242 P243 T250 L263I50-V246 HydrophobicContact CD1-CG1 4.27Å; I50-V246 HydrophobicContact CG2-CB 4.49Å; I50-V246 HydrophobicContact CG2-CG1 4.02Å; L173-V246 HydrophobicContact CD1-CG1 4.13Å; P219-V246 HydrophobicContact CB-CG1 4.13Å; P219-V246 HydrophobicContact CB-CG2 4.04Å; P219-V246 HydrophobicContact CG-CG1 4.27Å; T222-V246 HydrophobicContact CG2-CG2 3.93Å; L241-V246 HydrophobicContact CB-CG2 3.97Å; L241-V246 HydrophobicContact CD1-CG2 4.04Å; K242-V246 PolarHBondContact O-N 3.31Å; K242-V246 VanDerWaalsContact O-N 3.17Å; P243-V246 PolarHBondContact O-N 2.93Å; V246-T250 VanDerWaalsContact O-CB 3.28Å; V246-T250 WeakPolarHBondContact O-CB 3.32Å; V246-T250 PolarHBondContact O-N 3.17Å; V246-T250 PolarHBondContact O-OG1 3.41Å; V246-L263 HydrophobicContact CG1-CD1 4.49Å
247A98.4Very high94Very high1 Ų147.9 Ų47.91%0.00824%0.235CC..Hα-helixtrans-60.1-53.4177.500000112.1H53 L54 E57 P243 E244 R249 T250 V251H53-A247 VanDerWaalsContact C-CB 3.43Å; H53-A247 HydrophobicContact CB-CB 3.62Å; L54-A247 HydrophobicContact CD2-CB 4.1Å; L54-A247 HydrophobicContact CG-CB 4.08Å; E57-A247 HydrophobicContact CB-CB 4.39Å; P243-A247 WeakPolarHBondContact O-CB 3.43Å; P243-A247 PolarHBondContact O-N 3.44Å; E244-A247 PolarHBondContact O-N 3.37Å; A247-R249 PolarHBondContact O-N 3.31Å; A247-T250 WeakPolarHBondContact O-CB 3.32Å; A247-T250 PolarHBondContact O-N 3.24Å; A247-T250 VanDerWaalsContact O-N 3.08Å; A247-V251 PolarHBondContact O-N 3.31Å
248R98.2Very high94.8Very high94 Ų9445.1 Ų45.136%0.35522%0.219SC..Hα-helixtrans-54.1-50.7178-174.3-178.960.576.2-2.8112.7E57 E244 T250 V251 E252E57-R248 WeakPolarHBondContact OE2-CB 3.42Å; E244-R248 VanDerWaalsContact O-CB 3.32Å; E244-R248 WeakPolarHBondContact O-CB 3.06Å; E244-R248 PolarHBondContact O-N 3.2Å; R248-T250 VanDerWaalsContact C-N 3.29Å; R248-T250 PolarHBondContact O-N 2.93Å; R248-V251 PolarHBondContact O-N 3.5Å; R248-E252 WeakPolarHBondContact CG-OE1 3.46Å; R248-E252 IonicContact CZ-OE1 3.04Å; R248-E252 IonicContact NH1-OE1 2.96Å; R248-E252 PolarHBondContact NH1-OE1 3.04Å; R248-E252 IonicContact NH1-OE2 2.82Å; R248-E252 PolarHBondContact NH1-OE2 2.79Å; R248-E252 WeakPolarHBondContact O-CB 3.37Å; R248-E252 VanDerWaalsContact O-CG 3.31Å; R248-E252 WeakPolarHBondContact O-CG 3.27Å; R248-E252 PolarHBondContact O-N 3.2Å
249R97.9Very high95.4Very high76 Ų7643.8 Ų43.829%0.28722%0.222SC..Hα-helixtrans-66.4-32179.6-66.5-65.4-65153-3112.3T245 A247 E252 A253 L261 L263T245-R249 HydrophobicContact CG2-CG 4.33Å; T245-R249 WeakPolarHBondContact O-CB 3.39Å; T245-R249 WeakPolarHBondContact O-CG 3.32Å; T245-R249 PolarHBondContact O-N 2.97Å; A247-R249 PolarHBondContact O-N 3.31Å; R249-E252 WeakPolarHBondContact CD-OE2 3.45Å; R249-E252 IonicContact CZ-OE2 3.69Å; R249-E252 IonicContact NE-OE2 3.47Å; R249-E252 IonicContact NH1-OE2 3.76Å; R249-E252 PolarHBondContact NH1-OE2 3.28Å; R249-A253 WeakPolarHBondContact O-CB 3.47Å; R249-A253 PolarHBondContact O-N 3.4Å; R249-L261 HydrophobicContact CB-CD2 4.08Å; R249-L261 WeakPolarHBondContact O-CD2 3.46Å; R249-L263 HydrophobicContact CB-CD1 3.73Å; R249-L263 HydrophobicContact CB-CD2 3.94Å; R249-L263 HydrophobicContact CB-CG 4.48Å; R249-L263 HydrophobicContact CG-CD1 4.36Å; R249-L263 HydrophobicContact CG-CD2 4Å
250T98.5Very high95.9Very high0 Ų043.7 Ų43.70%022%0.217CC..Hα-helixtrans-66.2-49174.9-60.70000111L54 V171 L173 V217 V246 A247 R248 E252 A253 V254L54-T250 HydrophobicContact CD2-CG2 3.61Å; V171-T250 HydrophobicContact CG1-CG2 3.86Å; L173-T250 HydrophobicContact CD1-CG2 4.46Å; L173-T250 HydrophobicContact CD2-CG2 4.15Å; V217-T250 HydrophobicContact CG2-CG2 3.9Å; V246-T250 VanDerWaalsContact O-CB 3.28Å; V246-T250 WeakPolarHBondContact O-CB 3.32Å; V246-T250 PolarHBondContact O-N 3.17Å; V246-T250 PolarHBondContact O-OG1 3.41Å; A247-T250 WeakPolarHBondContact O-CB 3.32Å; A247-T250 PolarHBondContact O-N 3.24Å; A247-T250 VanDerWaalsContact O-N 3.08Å; R248-T250 VanDerWaalsContact C-N 3.29Å; R248-T250 PolarHBondContact O-N 2.93Å; T250-E252 VanDerWaalsContact C-N 3.33Å; T250-E252 PolarHBondContact O-N 2.94Å; T250-A253 PolarHBondContact O-N 2.93Å; T250-V254 WeakPolarHBondContact O-CG2 3.24Å; T250-V254 PolarHBondContact O-N 2.94Å
251V98.4Very high96.4Very high0 Ų041.7 Ų41.70%020%0.204CC..Hα-helixtrans-65.8-38.2179.2-177.50000111.1L36 L54 E57 F58 R61 A247 R248 A253 V254 Q255L36-V251 HydrophobicContact CD1-CG1 3.79Å; L54-V251 HydrophobicContact CD2-CG2 4.4Å; E57-V251 HydrophobicContact CB-CG2 3.87Å; E57-V251 HydrophobicContact CG-CB 3.65Å; E57-V251 HydrophobicContact CG-CG1 4.24Å; E57-V251 HydrophobicContact CG-CG2 3.44Å; E57-V251 VanDerWaalsContact CG-CG2 3.44Å; F58-V251 HydrophobicContact CD1-CG1 3.98Å; F58-V251 HydrophobicContact CD1-CG2 4.09Å; F58-V251 HydrophobicContact CD2-CG2 3.78Å; F58-V251 HydrophobicContact CE1-CB 4.49Å; F58-V251 HydrophobicContact CE1-CG1 3.94Å; F58-V251 HydrophobicContact CE1-CG2 4.02Å; F58-V251 HydrophobicContact CE2-CG2 3.69Å; F58-V251 HydrophobicContact CG-CG2 3.97Å; F58-V251 HydrophobicContact CZ-CG1 4.48Å; F58-V251 HydrophobicContact CZ-CG2 3.82Å; R61-V251 HydrophobicContact CB-CG1 4.29Å; R61-V251 HydrophobicContact CG-CG1 3.87Å; A247-V251 PolarHBondContact O-N 3.31Å; R248-V251 PolarHBondContact O-N 3.5Å; V251-A253 PolarHBondContact O-N 3.2Å; V251-V254 WeakPolarHBondContact O-CB 3.15Å; V251-V254 PolarHBondContact O-N 2.99Å; V251-Q255 WeakPolarHBondContact O-CG 3.45Å; V251-Q255 PolarHBondContact O-N 3.45Å
252E97.1Very high96.5Very high29 Ų2941.2 Ų41.214%0.13620%0.201CC..Hα-helixtrans-57.9-45.6171.1-75168.7-17000112.2R61 R248 R249 T250 V254 Q255 Q256R61-E252 IonicContact NH2-OE1 3.29Å; R61-E252 PolarHBondContact NH2-OE1 3.13Å; R61-E252 VanDerWaalsContact NH2-OE1 3.11Å; R248-E252 WeakPolarHBondContact CG-OE1 3.46Å; R248-E252 IonicContact CZ-OE1 3.04Å; R248-E252 IonicContact NH1-OE1 2.96Å; R248-E252 PolarHBondContact NH1-OE1 3.04Å; R248-E252 IonicContact NH1-OE2 2.82Å; R248-E252 PolarHBondContact NH1-OE2 2.79Å; R248-E252 WeakPolarHBondContact O-CB 3.37Å; R248-E252 VanDerWaalsContact O-CG 3.31Å; R248-E252 WeakPolarHBondContact O-CG 3.27Å; R248-E252 PolarHBondContact O-N 3.2Å; R249-E252 WeakPolarHBondContact CD-OE2 3.45Å; R249-E252 IonicContact CZ-OE2 3.69Å; R249-E252 IonicContact NE-OE2 3.47Å; R249-E252 IonicContact NH1-OE2 3.76Å; R249-E252 PolarHBondContact NH1-OE2 3.28Å; T250-E252 VanDerWaalsContact C-N 3.33Å; T250-E252 PolarHBondContact O-N 2.94Å; E252-V254 VanDerWaalsContact C-N 3.33Å; E252-V254 PolarHBondContact O-N 2.93Å; E252-Q255 PolarHBondContact O-N 3.19Å; E252-Q256 WeakPolarHBondContact O-CB 3.48Å; E252-Q256 VanDerWaalsContact O-CG 3.27Å; E252-Q256 WeakPolarHBondContact O-CG 3.32Å; E252-Q256 PolarHBondContact O-N 3.11Å
253A97.1Very high96.5Very high1 Ų134.9 Ų34.91%0.00817%0.174CC..Hα-helixtrans-63.9-37.617700000112.6T215 R249 T250 V251 Q256 N257 Q258 L261T215-A253 HydrophobicContact CG2-CB 4.03Å; R249-A253 WeakPolarHBondContact O-CB 3.47Å; R249-A253 PolarHBondContact O-N 3.4Å; T250-A253 PolarHBondContact O-N 2.93Å; V251-A253 PolarHBondContact O-N 3.2Å; A253-Q256 CarbonylContact O-C 3.59Å; A253-Q256 PolarHBondContact O-N 3.3Å; A253-N257 PolarHBondContact O-N 3.09Å; A253-N257 VanDerWaalsContact O-N 3.08Å; A253-Q258 HydrophobicContact CB-CB 3.93Å; A253-Q258 HydrophobicContact CB-CG 4.48Å; A253-Q258 PolarHBondContact O-N 3.11Å; A253-L261 HydrophobicContact CB-CB 4.36Å; A253-L261 HydrophobicContact CB-CD2 3.79Å
254V98Very high96.4Very high0 Ų036.1 Ų36.10%018%0.182CC..Hα-helixtrans-61.7-47.9172.2171.20000110.5F58 I119 H169 V171 T250 V251 E252 Q256 N257F58-V254 HydrophobicContact CE1-CG1 4.38Å; F58-V254 HydrophobicContact CZ-CG2 4.38Å; I119-V254 HydrophobicContact CD1-CG1 4.04Å; H169-V254 PolarHBondContact CE1-O 3.48Å; V171-V254 HydrophobicContact CG1-CG2 4.4Å; V171-V254 HydrophobicContact CG2-CG2 3.44Å; V171-V254 VanDerWaalsContact CG2-CG2 3.44Å; T250-V254 WeakPolarHBondContact O-CG2 3.24Å; T250-V254 PolarHBondContact O-N 2.94Å; V251-V254 WeakPolarHBondContact O-CB 3.15Å; V251-V254 PolarHBondContact O-N 2.99Å; E252-V254 VanDerWaalsContact C-N 3.33Å; E252-V254 PolarHBondContact O-N 2.93Å; V254-Q256 PolarHBondContact O-N 3.02Å; V254-N257 PolarHBondContact O-N 3.27Å; V254-N257 VanDerWaalsContact O-N 3.08Å
255Q96.8Very high96.1Very high17 Ų1740.5 Ų40.58%0.07920%0.195CC..Hα-helixtrans-61.8-31.6177.7-69.9-171.4-68.500112.9L33 R34 L36 R61 V251 E252 N257L33-Q255 CarbonylContact C-O 3.52Å; L33-Q255 WeakPolarHBondContact CA-O 3.34Å; L33-Q255 HydrophobicContact CB-CB 4.15Å; L33-Q255 HydrophobicContact CD2-CB 4.02Å; R34-Q255 PolarHBondContact N-O 3.08Å; R34-Q255 PolarHBondContact O-NE2 2.9Å; L36-Q255 HydrophobicContact CD1-CG 3.97Å; L36-Q255 HydrophobicContact CD2-CG 4.27Å; L36-Q255 HydrophobicContact CG-CG 4.13Å; R61-Q255 VanDerWaalsContact NH1-OE1 3.14Å; V251-Q255 WeakPolarHBondContact O-CG 3.45Å; V251-Q255 PolarHBondContact O-N 3.45Å; E252-Q255 PolarHBondContact O-N 3.19Å; Q255-N257 VanDerWaalsContact C-N 3.35Å
256Q94.8Very high95.7Very high69 Ų6940.6 Ų40.632%0.32220%0.195SC..THydrogen-bonded Turntrans-86-3.2178.3-69.4174.6-9.300113.8L33 E252 A253 V254 Q258L33-Q256 HydrophobicContact CD2-CG 3.54Å; E252-Q256 WeakPolarHBondContact O-CB 3.48Å; E252-Q256 VanDerWaalsContact O-CG 3.27Å; E252-Q256 WeakPolarHBondContact O-CG 3.32Å; E252-Q256 PolarHBondContact O-N 3.11Å; A253-Q256 CarbonylContact O-C 3.59Å; A253-Q256 PolarHBondContact O-N 3.3Å; V254-Q256 PolarHBondContact O-N 3.02Å; Q256-Q258 HydrophobicContact CB-CB 4.45Å; Q256-Q258 PolarHBondContact O-N 3.45Å
257N94.7Very high95.4Very high77 Ų7741.1 Ų41.141%0.41220%0.198SC..THydrogen-bonded Turntrans50.439-168-63.4-51.2000112.6H169 A253 V254 Q255 A259H169-N257 PolarHBondContact CE1-OD1 3.35Å; A253-N257 PolarHBondContact O-N 3.09Å; A253-N257 VanDerWaalsContact O-N 3.08Å; V254-N257 PolarHBondContact O-N 3.27Å; V254-N257 VanDerWaalsContact O-N 3.08Å; Q255-N257 VanDerWaalsContact C-N 3.35Å; N257-A259 PolarHBondContact O-N 3.09Å
258Q94.6Very high94.9Very high59 Ų5944.5 Ų44.528%0.27622%0.216SC..  trans-75.8117.1178.3179.1177.3-1.200109.8T215 A253 Q256 L260T215-Q258 VanDerWaalsContact CB-O 3.31Å; T215-Q258 WeakPolarHBondContact CB-O 3.36Å; T215-Q258 VanDerWaalsContact CG2-O 3.23Å; T215-Q258 WeakPolarHBondContact CG2-O 3.32Å; T215-Q258 PolarHBondContact OG1-O 3.19Å; A253-Q258 HydrophobicContact CB-CB 3.93Å; A253-Q258 HydrophobicContact CB-CG 4.48Å; A253-Q258 PolarHBondContact O-N 3.11Å; Q256-Q258 HydrophobicContact CB-CB 4.45Å; Q256-Q258 PolarHBondContact O-N 3.45Å; Q258-L260 WeakPolarHBondContact CG-O 3.48Å; Q258-L260 PolarHBondContact NE2-O 2.82Å; Q258-L260 PolarHBondContact O-N 3.14Å
259A95.2Very high94.4Very high47 Ų4744 Ų4439%0.38822%0.22SC..SBendtrans-66.5-37.3-176.600000113.9T203 A214 T215 T216 N257T203-A259 HydrophobicContact CG2-CB 4.24Å; A214-A259 WeakPolarHBondContact O-CA 3.19Å; T215-A259 CarbonylContact C-O 3.33Å; T215-A259 WeakPolarHBondContact CA-O 3.16Å; T216-A259 PolarHBondContact N-O 3.31Å; N257-A259 PolarHBondContact O-N 3.09Å
260L96.2Very high93.7Very high75 Ų7543.2 Ų43.239%0.39322%0.22SC..EExtended strand (participates in β ladder)trans-138.3127.3-175.2-176.268.1000110.7F196 T216 L218 Q258 L262F196-L260 HydrophobicContact CE2-CD1 3.73Å; F196-L260 HydrophobicContact CZ-CD1 4.34Å; T216-L260 WeakPolarHBondContact O-CA 3.46Å; L218-L260 HydrophobicContact CD1-CD1 3.39Å; Q258-L260 WeakPolarHBondContact CG-O 3.48Å; Q258-L260 PolarHBondContact NE2-O 2.82Å; Q258-L260 PolarHBondContact O-N 3.14Å; L260-L262 HydrophobicContact CD1-CD1 4.35Å; L260-L262 HydrophobicContact CD2-CD1 3.88Å; L260-L262 HydrophobicContact CG-CD1 3.85Å
261L96.6Very high93.2Very high5 Ų545.5 Ų45.53%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-128.7111.2179.2175.264.7000110.6T216 V217 L218 R249 A253 L263T216-L261 PolarHBondContact O-N 3.17Å; V217-L261 CarbonylContact C-O 3.51Å; V217-L261 WeakPolarHBondContact CA-O 3.31Å; V217-L261 HydrophobicContact CG1-CB 4.46Å; V217-L261 HydrophobicContact CG1-CD2 3.98Å; V217-L261 HydrophobicContact CG1-CG 4.29Å; V217-L261 HydrophobicContact CG2-CB 4.45Å; V217-L261 HydrophobicContact CG2-CD2 4.37Å; L218-L261 PolarHBondContact N-O 3.5Å; R249-L261 HydrophobicContact CB-CD2 4.08Å; R249-L261 WeakPolarHBondContact O-CD2 3.46Å; A253-L261 HydrophobicContact CB-CB 4.36Å; A253-L261 HydrophobicContact CB-CD2 3.79Å; L261-L263 HydrophobicContact CD1-CD2 3.8Å; L261-L263 HydrophobicContact CD1-CG 4.23Å; L261-L263 HydrophobicContact CD2-CD1 3.98Å; L261-L263 HydrophobicContact CD2-CD2 4.15Å; L261-L263 HydrophobicContact CD2-CG 4.06Å; L261-L263 HydrophobicContact CG-CD1 4.35Å; L261-L263 HydrophobicContact CG-CD2 4.01Å; L261-L263 HydrophobicContact CG-CG 3.9Å
262L95.6Very high92.8Very high15 Ų1550.1 Ų50.18%0.07926%0.258CS..EExtended strand (participates in β ladder)trans-93130.8168.7-77.683000110L179 L218 L260 P264 M267 V271L179-L262 HydrophobicContact CD1-CD2 4.41Å; L218-L262 HydrophobicContact CB-CG 4.32Å; L260-L262 HydrophobicContact CD1-CD1 4.35Å; L260-L262 HydrophobicContact CD2-CD1 3.88Å; L260-L262 HydrophobicContact CG-CD1 3.85Å; L262-P264 CarbonylContact O-C 3.38Å; L262-M267 HydrophobicContact CB-CB 4.29Å; L262-M267 HydrophobicContact CD2-CB 4.02Å; L262-V271 HydrophobicContact CD2-CG2 3.77Å
263L94.1Very high92.4Very high12 Ų1252.2 Ų52.26%0.06327%0.27CS..EExtended strand (participates in β ladder)trans-125.8131.5179.2-63.7173.7000111.1V217 L218 P219 F220 L241 V246 R249 L261V217-L263 HydrophobicContact CG1-CD1 4.04Å; L218-L263 PolarHBondContact O-N 3.36Å; P219-L263 CarbonylContact C-O 3.58Å; F220-L263 WeakPolarHBondContact CB-O 3.41Å; F220-L263 PolarHBondContact N-O 2.88Å; L241-L263 HydrophobicContact CD1-CB 3.79Å; V246-L263 HydrophobicContact CG1-CD1 4.49Å; R249-L263 HydrophobicContact CB-CD1 3.73Å; R249-L263 HydrophobicContact CB-CD2 3.94Å; R249-L263 HydrophobicContact CB-CG 4.48Å; R249-L263 HydrophobicContact CG-CD1 4.36Å; R249-L263 HydrophobicContact CG-CD2 4Å; L261-L263 HydrophobicContact CD1-CD2 3.8Å; L261-L263 HydrophobicContact CD1-CG 4.23Å; L261-L263 HydrophobicContact CD2-CD1 3.98Å; L261-L263 HydrophobicContact CD2-CD2 4.15Å; L261-L263 HydrophobicContact CD2-CG 4.06Å; L261-L263 HydrophobicContact CG-CD1 4.35Å; L261-L263 HydrophobicContact CG-CD2 4.01Å; L261-L263 HydrophobicContact CG-CG 3.9Å
264P92.7Very high91.9Very high40 Ų4057.2 Ų57.226%0.2629%0.291SS..SBendcis-64.5167.5-15.730.4-35.8000111.5L262 T266 M267L262-P264 CarbonylContact O-C 3.38Å; P264-T266 WeakPolarHBondContact CG-OG1 3.18Å; P264-T266 PolarHBondContact O-N 3Å; P264-M267 HydrophobicContact CG-CE 4.44Å; P264-M267 HydrophobicContact CG-CG 4.3Å; P264-M267 WeakPolarHBondContact O-CB 3.4Å; P264-M267 WeakPolarHBondContact O-CG 3.17Å; P264-M267 PolarHBondContact O-N 2.82Å
265W88.9Confident91.6Very high184 Ų18461.9 Ų61.970%0.69732%0.324SS*.THydrogen-bonded Turntrans-56.8-25.8-179.571.1-92.2000113.3M267 N268 I269W265-M267 PolarHBondContact O-N 2.96Å; W265-M267 VanDerWaalsContact O-N 3.15Å; W265-N268 WeakPolarHBondContact O-CB 3.29Å; W265-N268 PolarHBondContact O-N 3.39Å; W265-N268 VanDerWaalsContact O-N 3.07Å; W265-N268 PolarHBondContact O-ND2 3Å; W265-I269 HydrophobicContact CZ3-CD1 4.33Å
266T88.8Confident91.4Very high51 Ų5167.3 Ų67.331%0.31335%0.352SS..THydrogen-bonded Turntrans-61.6-19.4176.454.80000113P264 N268 I269P264-T266 WeakPolarHBondContact CG-OG1 3.18Å; P264-T266 PolarHBondContact O-N 3Å; T266-N268 PolarHBondContact O-N 3.16Å; T266-I269 WeakPolarHBondContact O-CB 3.39Å; T266-I269 PolarHBondContact O-N 3Å
267M90.4Very high91.3Very high12 Ų1266.9 Ų66.96%0.05935%0.352CS..Hα-helixtrans-65-19.4174.1-62.7-64.298.900113V176 F220 L262 P264 W265 I269 L270 V271V176-M267 HydrophobicContact CG1-CB 4.17Å; V176-M267 HydrophobicContact CG1-CG 3.93Å; V176-M267 HydrophobicContact CG1-SD 4.27Å; F220-M267 HydrophobicContact CB-CG 4.23Å; F220-M267 HydrophobicContact CB-SD 4.11Å; F220-M267 HydrophobicContact CD2-CE 4.46Å; F220-M267 HydrophobicContact CD2-SD 3.68Å; F220-M267 HydrophobicContact CE2-SD 4.5Å; F220-M267 HydrophobicContact CG-SD 4.11Å; L262-M267 HydrophobicContact CB-CB 4.29Å; L262-M267 HydrophobicContact CD2-CB 4.02Å; P264-M267 HydrophobicContact CG-CE 4.44Å; P264-M267 HydrophobicContact CG-CG 4.3Å; P264-M267 WeakPolarHBondContact O-CB 3.4Å; P264-M267 WeakPolarHBondContact O-CG 3.17Å; P264-M267 PolarHBondContact O-N 2.82Å; W265-M267 PolarHBondContact O-N 2.96Å; W265-M267 VanDerWaalsContact O-N 3.15Å; M267-I269 PolarHBondContact O-N 2.77Å; M267-L270 WeakPolarHBondContact O-CB 3.22Å; M267-L270 PolarHBondContact O-N 3.4Å; M267-V271 PolarHBondContact O-N 3.38Å
268N88.2Confident91.3Very high72 Ų7267.5 Ų67.539%0.38536%0.36SS..Hα-helixtrans-62.7-34.2170.5-68.1-76.1000111.9W265 T266 L270 V271 I272W265-N268 WeakPolarHBondContact O-CB 3.29Å; W265-N268 PolarHBondContact O-N 3.39Å; W265-N268 VanDerWaalsContact O-N 3.07Å; W265-N268 PolarHBondContact O-ND2 3Å; T266-N268 PolarHBondContact O-N 3.16Å; N268-L270 VanDerWaalsContact C-N 3.32Å; N268-L270 PolarHBondContact O-N 3.13Å; N268-V271 PolarHBondContact O-N 3.03Å; N268-I272 WeakPolarHBondContact O-CG1 3.4Å; N268-I272 PolarHBondContact O-N 3.11Å; N268-I272 VanDerWaalsContact O-N 3.08Å
269I88.9Confident91.1Very high84 Ų8470.5 Ų70.543%0.43137%0.374SS..Hα-helixtrans-64.5-41.8176.4-57.7171.9000109.7W265 T266 M267 V271 I272 L273W265-I269 HydrophobicContact CZ3-CD1 4.33Å; T266-I269 WeakPolarHBondContact O-CB 3.39Å; T266-I269 PolarHBondContact O-N 3Å; M267-I269 PolarHBondContact O-N 2.77Å; I269-V271 VanDerWaalsContact C-N 3.31Å; I269-V271 PolarHBondContact O-N 3.31Å; I269-I272 PolarHBondContact O-N 2.86Å; I269-L273 HydrophobicContact CG2-CD1 3.94Å; I269-L273 HydrophobicContact CG2-CG 4.14Å; I269-L273 WeakPolarHBondContact O-CB 3.44Å; I269-L273 VanDerWaalsContact O-CG 3.27Å; I269-L273 WeakPolarHBondContact O-CG 3.5Å; I269-L273 PolarHBondContact O-N 3.45Å
270L82.9Confident91Very high58 Ų5871.8 Ų71.830%0.30439%0.385SS..Hα-helixtrans-57.9-44.6176.3-174.285.2000111.4M267 N268 L273 K274M267-L270 WeakPolarHBondContact O-CB 3.22Å; M267-L270 PolarHBondContact O-N 3.4Å; N268-L270 VanDerWaalsContact C-N 3.32Å; N268-L270 PolarHBondContact O-N 3.13Å; L270-L273 PolarHBondContact O-N 2.86Å; L270-K274 WeakPolarHBondContact O-CB 3.38Å; L270-K274 PolarHBondContact O-N 3.34Å
271V87.4Confident90.8Very high48 Ų4870 Ų7029%0.29138%0.381SS..Hα-helixtrans-61.9-46.8178.51770000110.8L179 L262 M267 N268 I269 L273 K274 S275L179-V271 HydrophobicContact CB-CG2 4.49Å; L179-V271 HydrophobicContact CD1-CG2 3.61Å; L262-V271 HydrophobicContact CD2-CG2 3.77Å; M267-V271 PolarHBondContact O-N 3.38Å; N268-V271 PolarHBondContact O-N 3.03Å; I269-V271 VanDerWaalsContact C-N 3.31Å; I269-V271 PolarHBondContact O-N 3.31Å; V271-L273 PolarHBondContact O-N 3.17Å; V271-K274 PolarHBondContact O-N 3.35Å; V271-S275 PolarHBondContact O-N 3.19Å; V271-S275 PolarHBondContact O-OG 3.02Å
272I90.6Very high90.4Very high98 Ų9870.8 Ų70.850%0.50339%0.385SS..Hα-helixtrans-61.2-46.7177.8-66.6165.9000111N268 I269 K274 S275 I276N268-I272 WeakPolarHBondContact O-CG1 3.4Å; N268-I272 PolarHBondContact O-N 3.11Å; N268-I272 VanDerWaalsContact O-N 3.08Å; I269-I272 PolarHBondContact O-N 2.86Å; I272-K274 VanDerWaalsContact C-N 3.33Å; I272-K274 PolarHBondContact O-N 3.46Å; I272-S275 PolarHBondContact O-N 2.8Å; I272-S275 VanDerWaalsContact O-N 3.13Å; I272-I276 HydrophobicContact CG2-CD1 3.66Å; I272-I276 WeakPolarHBondContact O-CG1 3.43Å; I272-I276 PolarHBondContact O-N 2.96Å
273L88.1Confident90.1Very high72 Ų7274 Ų7438%0.37740%0.4SS..Hα-helixtrans-60.5-43.1178.2-71176.4000111.3I269 L270 V271 S275 I276 L277I269-L273 HydrophobicContact CG2-CD1 3.94Å; I269-L273 HydrophobicContact CG2-CG 4.14Å; I269-L273 WeakPolarHBondContact O-CB 3.44Å; I269-L273 VanDerWaalsContact O-CG 3.27Å; I269-L273 WeakPolarHBondContact O-CG 3.5Å; I269-L273 PolarHBondContact O-N 3.45Å; L270-L273 PolarHBondContact O-N 2.86Å; V271-L273 PolarHBondContact O-N 3.17Å; L273-S275 VanDerWaalsContact C-N 3.26Å; L273-S275 PolarHBondContact O-N 3.2Å; L273-I276 PolarHBondContact O-N 3.08Å; L273-L277 HydrophobicContact CB-CD1 4.08Å; L273-L277 HydrophobicContact CD2-CD1 4.1Å; L273-L277 HydrophobicContact CD2-CG 4.4Å; L273-L277 VanDerWaalsContact O-CB 3.27Å; L273-L277 WeakPolarHBondContact O-CB 3.07Å; L273-L277 WeakPolarHBondContact O-CG 3.48Å; L273-L277 PolarHBondContact O-N 3.46Å
274K87.1Confident89.9Confident106 Ų10678.6 Ų78.646%0.46142%0.421SS..Hα-helixtrans-59.8-36.3175.5-172.9-176.7175.8-166.30112.4L179 L270 V271 I272 L282L179-K274 WeakPolarHBondContact O-CD 3.36Å; L179-K274 WeakPolarHBondContact O-CE 3.34Å; L179-K274 PolarHBondContact O-NZ 2.94Å; L270-K274 WeakPolarHBondContact O-CB 3.38Å; L270-K274 PolarHBondContact O-N 3.34Å; V271-K274 PolarHBondContact O-N 3.35Å; I272-K274 VanDerWaalsContact C-N 3.33Å; I272-K274 PolarHBondContact O-N 3.46Å; K274-L282 HydrophobicContact CB-CD2 4.45Å; K274-L282 HydrophobicContact CG-CD1 4.13Å
275S90.4Very high89.6Confident98 Ų9879.7 Ų79.769%0.68542%0.424SS*.Hα-helixtrans-75.5-23.1-179.5-64.10000114.3V271 I272 L273V271-S275 PolarHBondContact O-N 3.19Å; V271-S275 PolarHBondContact O-OG 3.02Å; I272-S275 PolarHBondContact O-N 2.8Å; I272-S275 VanDerWaalsContact O-N 3.13Å; L273-S275 VanDerWaalsContact C-N 3.26Å; L273-S275 PolarHBondContact O-N 3.2Å
276I93.9Very high89.4Confident132 Ų13273.3 Ų73.368%0.67740%0.402SS*.Hα-helixtrans-110.5-35.3-171.5-59.6171.5000112.2I272 L273I272-I276 HydrophobicContact CG2-CD1 3.66Å; I272-I276 WeakPolarHBondContact O-CG1 3.43Å; I272-I276 PolarHBondContact O-N 2.96Å; L273-I276 PolarHBondContact O-N 3.08Å
277L92.6Very high89.3Confident59 Ų5978.1 Ų78.131%0.30941%0.414SS..SBendtrans-77145.3-174.1-67.4-179.4000112.4L273 A281 L282 I285L273-L277 HydrophobicContact CB-CD1 4.08Å; L273-L277 HydrophobicContact CD2-CD1 4.1Å; L273-L277 HydrophobicContact CD2-CG 4.4Å; L273-L277 VanDerWaalsContact O-CB 3.27Å; L273-L277 WeakPolarHBondContact O-CB 3.07Å; L273-L277 WeakPolarHBondContact O-CG 3.48Å; L273-L277 PolarHBondContact O-N 3.46Å; L277-A281 HydrophobicContact CB-CB 4.35Å; L277-L282 HydrophobicContact CB-CD2 4.05Å; L277-L282 HydrophobicContact CB-CG 4.13Å; L277-L282 HydrophobicContact CD1-CD2 4.19Å; L277-I285 HydrophobicContact CD1-CD1 3.68Å
278P94.2Very high89.1Confident91 Ų9183.4 Ų83.459%0.59144%0.437SS*.  trans-60.8150168.4-20.832.2000112A280 A281 L282P278-A280 VanDerWaalsContact C-N 3.27Å; P278-A280 PolarHBondContact O-N 3.48Å; P278-A280 VanDerWaalsContact O-N 3.17Å; P278-A281 WeakPolarHBondContact O-CB 3.42Å; P278-A281 PolarHBondContact O-N 2.98Å; P278-L282 PolarHBondContact O-N 2.97Å
279Q90.8Very high88.9Confident122 Ų12281 Ų8157%0.5743%0.426SS*.Hα-helixtrans-50.9-42.9-179.4178.559.42700113.3A281 L282 E283Q279-A281 VanDerWaalsContact C-N 3.29Å; Q279-A281 PolarHBondContact O-N 2.62Å; Q279-L282 WeakPolarHBondContact O-CB 3.2Å; Q279-L282 PolarHBondContact O-N 3.22Å; Q279-L282 VanDerWaalsContact O-N 3.13Å; Q279-E283 WeakPolarHBondContact CG-OE1 3.31Å; Q279-E283 PolarHBondContact NE2-OE1 3.4Å; Q279-E283 WeakPolarHBondContact O-CG 3.08Å; Q279-E283 PolarHBondContact O-N 2.98Å
280A92.7Very high88.5Confident73 Ų7377.4 Ų77.460%0.60341%0.409SS*.Hα-helixtrans-60.6-36.1179.100000113.2P278 E284P278-A280 VanDerWaalsContact C-N 3.27Å; P278-A280 PolarHBondContact O-N 3.48Å; P278-A280 VanDerWaalsContact O-N 3.17Å; A280-E284 PolarHBondContact O-N 3.33Å
281A92.2Very high88.5Confident39 Ų3976.3 Ų76.332%0.32241%0.405SS..Hα-helixtrans-71.7-37176.600000111.5L277 P278 Q279 E284 I285L277-A281 HydrophobicContact CB-CB 4.35Å; P278-A281 WeakPolarHBondContact O-CB 3.42Å; P278-A281 PolarHBondContact O-N 2.98Å; Q279-A281 VanDerWaalsContact C-N 3.29Å; Q279-A281 PolarHBondContact O-N 2.62Å; A281-E284 PolarHBondContact O-N 2.71Å; A281-I285 WeakPolarHBondContact O-CG1 3.37Å; A281-I285 PolarHBondContact O-N 3.14Å
282L88.3Confident88.1Confident21 Ų2181.3 Ų81.311%0.1142%0.42CS..Hα-helixtrans-64.4-41174.6-64.5172.1000111.6K274 L277 P278 Q279 E284 I285 H286K274-L282 HydrophobicContact CB-CD2 4.45Å; K274-L282 HydrophobicContact CG-CD1 4.13Å; L277-L282 HydrophobicContact CB-CD2 4.05Å; L277-L282 HydrophobicContact CB-CG 4.13Å; L277-L282 HydrophobicContact CD1-CD2 4.19Å; P278-L282 PolarHBondContact O-N 2.97Å; Q279-L282 WeakPolarHBondContact O-CB 3.2Å; Q279-L282 PolarHBondContact O-N 3.22Å; Q279-L282 VanDerWaalsContact O-N 3.13Å; L282-E284 VanDerWaalsContact C-N 3.3Å; L282-E284 PolarHBondContact O-N 3.02Å; L282-I285 HydrophobicContact CD2-CD1 4.41Å; L282-I285 WeakPolarHBondContact O-CB 3.34Å; L282-I285 PolarHBondContact O-N 2.87Å; L282-H286 PolarHBondContact O-CD2 3.07Å; L282-H286 PolarHBondContact O-N 3.34Å
283E88.2Confident87.7Confident82 Ų8280.1 Ų80.138%0.38342%0.417SS..Hα-helixtrans-59.6-40.8174.6-73.2173.3-165.500112.1Q279 H286 R287Q279-E283 WeakPolarHBondContact CG-OE1 3.31Å; Q279-E283 PolarHBondContact NE2-OE1 3.4Å; Q279-E283 WeakPolarHBondContact O-CG 3.08Å; Q279-E283 PolarHBondContact O-N 2.98Å; E283-H286 WeakPolarHBondContact O-CB 3.48Å; E283-H286 PolarHBondContact O-N 3.5Å; E283-R287 WeakPolarHBondContact O-CG 3.05Å; E283-R287 PolarHBondContact O-N 3.25Å
284E89.9Confident87.5Confident108 Ų10876.9 Ų76.951%0.50540%0.4SS..Hα-helixtrans-67-38.3175.9-167.254.8-145.200111.9A280 A281 L282 H286 R287 F288A280-E284 PolarHBondContact O-N 3.33Å; A281-E284 PolarHBondContact O-N 2.71Å; L282-E284 VanDerWaalsContact C-N 3.3Å; L282-E284 PolarHBondContact O-N 3.02Å; E284-H286 VanDerWaalsContact C-N 3.29Å; E284-H286 PolarHBondContact O-N 2.84Å; E284-R287 PolarHBondContact O-N 3.34Å; E284-F288 VanDerWaalsContact O-CB 3.25Å; E284-F288 WeakPolarHBondContact O-CB 3.46Å; E284-F288 PolarHBondContact O-N 2.78Å
285I87.1Confident87.5Confident63 Ų6372.3 Ų72.332%0.32338%0.381SS..Hα-helixtrans-59.9-41.2171.4-68167.7000110.8L277 A281 L282 S289L277-I285 HydrophobicContact CD1-CD1 3.68Å; A281-I285 WeakPolarHBondContact O-CG1 3.37Å; A281-I285 PolarHBondContact O-N 3.14Å; L282-I285 HydrophobicContact CD2-CD1 4.41Å; L282-I285 WeakPolarHBondContact O-CB 3.34Å; L282-I285 PolarHBondContact O-N 2.87Å; I285-S289 VanDerWaalsContact O-CB 3.23Å; I285-S289 WeakPolarHBondContact O-CB 3.45Å; I285-S289 PolarHBondContact O-N 3.23Å; I285-S289 PolarHBondContact O-OG 3.11Å
286H85.4Confident87.2Confident50 Ų5073.6 Ų73.623%0.23138%0.38CS..Hα-helixtrans-65.6-41.3177.5-78.2-65000112.6L282 E283 E284 S289 G290 T291L282-H286 PolarHBondContact O-CD2 3.07Å; L282-H286 PolarHBondContact O-N 3.34Å; E283-H286 WeakPolarHBondContact O-CB 3.48Å; E283-H286 PolarHBondContact O-N 3.5Å; E284-H286 VanDerWaalsContact C-N 3.29Å; E284-H286 PolarHBondContact O-N 2.84Å; H286-S289 PolarHBondContact O-OG 3.42Å; H286-G290 PolarHBondContact O-N 2.6Å; H286-G290 VanDerWaalsContact O-N 3.16Å; H286-T291 WeakPolarHBondContact CA-OG1 3.17Å; H286-T291 PolarHBondContact ND1-OG1 3.49Å; H286-T291 PolarHBondContact O-N 3.07Å; H286-T291 VanDerWaalsContact O-N 3.11Å; H286-T291 PolarHBondContact O-OG1 3.3Å
287R85.6Confident86.7Confident153 Ų15370.1 Ų70.158%0.57737%0.365SS*.Hα-helixtrans-65.9-47.6175.1-70.8174.3-175.4-173.63.2111.4R233 E283 E284 G290R233-R287 PolarHBondContact NH1-O 3.45Å; E283-R287 WeakPolarHBondContact O-CG 3.05Å; E283-R287 PolarHBondContact O-N 3.25Å; E284-R287 PolarHBondContact O-N 3.34Å; R287-G290 PolarHBondContact O-N 3.19Å
288F86.8Confident86.3Confident122 Ų12268.8 Ų68.854%0.53536%0.357SS..Hα-helixtrans-61.2-52179.1178.8-100.9000111.3R233 F234 E284 G290R233-F288 WeakPolarHBondContact CD-O 3.32Å; R233-F288 PolarHBondContact NH1-O 2.63Å; F234-F288 HydrophobicContact CD2-CE1 4.48Å; F234-F288 HydrophobicContact CE2-CD1 4.01Å; F234-F288 AromaticContact CE2-CE1 3.67Å; F234-F288 HydrophobicContact CE2-CE1 3.67Å; F234-F288 HydrophobicContact CE2-CE2 4.43Å; F234-F288 AromaticContact CE2-CZ 3.91Å; F234-F288 HydrophobicContact CE2-CZ 3.91Å; F234-F288 VanDerWaalsContact CE2-O 3.25Å; F234-F288 WeakPolarHBondContact CE2-O 3.47Å; F234-F288 HydrophobicContact CZ-CE1 4.2Å; F234-F288 HydrophobicContact CZ-CE2 4.24Å; F234-F288 AromaticContact CZ-CZ 3.95Å; F234-F288 HydrophobicContact CZ-CZ 3.95Å; E284-F288 VanDerWaalsContact O-CB 3.25Å; E284-F288 WeakPolarHBondContact O-CB 3.46Å; E284-F288 PolarHBondContact O-N 2.78Å; F288-G290 PolarHBondContact O-N 3.48Å; F288-G290 VanDerWaalsContact O-N 3.15Å
289S83.3Confident85.5Confident23 Ų2372.3 Ų72.316%0.16136%0.363CS..Hα-helixtrans-65.9-15.5179.262.70000114R233 I285 H286 T291R233-S289 WeakPolarHBondContact CB-O 3.38Å; I285-S289 VanDerWaalsContact O-CB 3.23Å; I285-S289 WeakPolarHBondContact O-CB 3.45Å; I285-S289 PolarHBondContact O-N 3.23Å; I285-S289 PolarHBondContact O-OG 3.11Å; H286-S289 PolarHBondContact O-OG 3.42Å; S289-T291 VanDerWaalsContact C-N 3.26Å; S289-T291 PolarHBondContact O-N 3.08Å; S289-T291 PolarHBondContact OG-N 3.38Å; S289-T291 PolarHBondContact OG-OG1 2.9Å
290G81.3Confident84.3Confident7 Ų767.2 Ų67.27%0.07234%0.343CS..THydrogen-bonded Turntrans71.319.3-175.600000113.6H286 R287 F288 Y292 T293 C294H286-G290 PolarHBondContact O-N 2.6Å; H286-G290 VanDerWaalsContact O-N 3.16Å; R287-G290 PolarHBondContact O-N 3.19Å; F288-G290 PolarHBondContact O-N 3.48Å; F288-G290 VanDerWaalsContact O-N 3.15Å; G290-Y292 PolarHBondContact O-N 3.21Å; G290-T293 PolarHBondContact O-N 2.99Å; G290-T293 PolarHBondContact O-OG1 2.87Å; G290-C294 PolarHBondContact O-N 2.62Å
291T82.3Confident82.9Confident35 Ų3569.9 Ų69.922%0.21534%0.337CS..G310 helixtrans-66.8-24.1175.933.60000111.9I182 H286 S289 T293 C294I182-T291 HydrophobicContact CG2-CG2 4.24Å; H286-T291 WeakPolarHBondContact CA-OG1 3.17Å; H286-T291 PolarHBondContact ND1-OG1 3.49Å; H286-T291 PolarHBondContact O-N 3.07Å; H286-T291 VanDerWaalsContact O-N 3.11Å; H286-T291 PolarHBondContact O-OG1 3.3Å; S289-T291 VanDerWaalsContact C-N 3.26Å; S289-T291 PolarHBondContact O-N 3.08Å; S289-T291 PolarHBondContact OG-N 3.38Å; S289-T291 PolarHBondContact OG-OG1 2.9Å; T291-T293 VanDerWaalsContact C-N 3.27Å; T291-T293 PolarHBondContact O-N 3.31Å; T291-C294 PolarHBondContact O-SG 2.98Å
292Y79.1Confident80.5Confident154 Ų15477.7 Ų77.760%0.60438%0.381SS*.G310 helixtrans-61.8-30.5175.1-166.8-93.6000113.9P183 G290P183-Y292 HydrophobicContact CG-CD2 3.6Å; P183-Y292 HydrophobicContact CG-CE2 3.84Å; P183-Y292 HydrophobicContact CG-CG 4.24Å; G290-Y292 PolarHBondContact O-N 3.21Å
293T83Confident80.1Confident73 Ų7380.6 Ų80.645%0.44840%0.395SS..G310 helixtrans-112.83.3-174.556.30000113.3G290 T291 M295 N296G290-T293 PolarHBondContact O-N 2.99Å; G290-T293 PolarHBondContact O-OG1 2.87Å; T291-T293 VanDerWaalsContact C-N 3.27Å; T291-T293 PolarHBondContact O-N 3.31Å; T293-M295 PolarHBondContact O-N 2.87Å; T293-N296 WeakPolarHBondContact O-CB 3.47Å; T293-N296 PolarHBondContact O-N 3.29Å; T293-N296 VanDerWaalsContact O-N 3.11Å
294C83.9Confident79.7Confident3 Ų380.5 Ų80.52%0.0240%0.395CS..THydrogen-bonded Turntrans-67.2-21.7-169.568.20000113.7I182 M230 R231 G290 T291I182-C294 VanDerWaalsContact CD1-SG 3.6Å; M230-C294 VanDerWaalsContact CA-O 3.29Å; M230-C294 WeakPolarHBondContact CA-O 3.37Å; M230-C294 HydrophobicContact CE-CB 4.2Å; M230-C294 HydrophobicContact CG-CB 4.29Å; M230-C294 WeakPolarHBondContact CG-O 3.25Å; R231-C294 PolarHBondContact N-O 3.39Å; R231-C294 VanDerWaalsContact O-CA 3.31Å; R231-C294 WeakPolarHBondContact O-CA 3.31Å; R231-C294 WeakPolarHBondContact O-CB 3.25Å; G290-C294 PolarHBondContact O-N 2.62Å; T291-C294 PolarHBondContact O-SG 2.98Å
295M87Confident79.1Confident10 Ų1078.9 Ų78.95%0.04939%0.389CS..THydrogen-bonded Turntrans-93.2-5.1177-65-62-71.400113.7V127 I182 G184 A185 M230 T293 T297 F298V127-M295 HydrophobicContact CG2-CE 4.48Å; I182-M295 HydrophobicContact CD1-CG 3.93Å; I182-M295 HydrophobicContact CD1-SD 4.37Å; G184-M295 WeakPolarHBondContact O-CE 3.46Å; A185-M295 HydrophobicContact CB-CE 4.23Å; A185-M295 HydrophobicContact CB-CG 4.45Å; M230-M295 HydrophobicContact CB-SD 4.49Å; M230-M295 HydrophobicContact CG-SD 4.16Å; M230-M295 HydrophobicContact SD-SD 4.34Å; T293-M295 PolarHBondContact O-N 2.87Å; M295-T297 PolarHBondContact O-N 3.37Å; M295-T297 VanDerWaalsContact O-N 3.14Å; M295-F298 HydrophobicContact CB-CB 4.47Å; M295-F298 HydrophobicContact CE-CB 3.88Å; M295-F298 HydrophobicContact CE-CD1 3.89Å; M295-F298 HydrophobicContact CE-CD2 3.49Å; M295-F298 VanDerWaalsContact CE-CD2 3.49Å; M295-F298 HydrophobicContact CE-CE1 4.24Å; M295-F298 HydrophobicContact CE-CE2 3.85Å; M295-F298 HydrophobicContact CE-CG 3.48Å; M295-F298 VanDerWaalsContact CE-CG 3.48Å; M295-F298 HydrophobicContact CE-CZ 4.2Å; M295-F298 WeakPolarHBondContact O-CB 3.35Å; M295-F298 PolarHBondContact O-N 3.41Å; M295-F298 HydrophobicContact SD-CB 4.38Å; M295-F298 HydrophobicContact SD-CD2 4.2Å; M295-F298 HydrophobicContact SD-CG 4.42Å
296N84.5Confident78.7Confident126 Ų12679.9 Ų79.967%0.67439%0.393SS*.THydrogen-bonded Turntrans-63.3-26.6-174.8-68.45.7000113.7T293T293-N296 WeakPolarHBondContact O-CB 3.47Å; T293-N296 PolarHBondContact O-N 3.29Å; T293-N296 VanDerWaalsContact O-N 3.11Å
297T81.6Confident78.2Confident59 Ų5981.8 Ų81.836%0.36240%0.403SS..THydrogen-bonded Turntrans-106.813.5177.253.40000112.7G229 M295 K299G229-T297 CarbonylContact C-O 2.96Å; G229-T297 VanDerWaalsContact CA-O 3.31Å; G229-T297 WeakPolarHBondContact CA-O 3.13Å; G229-T297 CarbonylContact O-C 3.42Å; G229-T297 VanDerWaalsContact O-C 3.24Å; G229-T297 WeakPolarHBondContact O-CB 3.34Å; G229-T297 VanDerWaalsContact O-O 3.09Å; G229-T297 PolarHBondContact O-OG1 3.4Å; M295-T297 PolarHBondContact O-N 3.37Å; M295-T297 VanDerWaalsContact O-N 3.14Å; T297-K299 PolarHBondContact O-N 3.39Å
298F84.4Confident77.7Confident31 Ų3177 Ų7714%0.13639%0.392CS..  trans-62.1125.3177177.8-105.3000109.8V127 H128 M226 F227 M295V127-F298 HydrophobicContact CG1-CE2 4.31Å; V127-F298 HydrophobicContact CG1-CZ 3.83Å; V127-F298 HydrophobicContact CG2-CZ 4.12Å; H128-F298 WeakPolarHBondContact O-CE1 3.22Å; M226-F298 VanDerWaalsContact O-CE2 3.24Å; M226-F298 WeakPolarHBondContact O-CE2 3.35Å; F227-F298 HydrophobicContact CD1-CE2 4.33Å; M295-F298 HydrophobicContact CB-CB 4.47Å; M295-F298 HydrophobicContact CE-CB 3.88Å; M295-F298 HydrophobicContact CE-CD1 3.89Å; M295-F298 HydrophobicContact CE-CD2 3.49Å; M295-F298 VanDerWaalsContact CE-CD2 3.49Å; M295-F298 HydrophobicContact CE-CE1 4.24Å; M295-F298 HydrophobicContact CE-CE2 3.85Å; M295-F298 HydrophobicContact CE-CG 3.48Å; M295-F298 VanDerWaalsContact CE-CG 3.48Å; M295-F298 HydrophobicContact CE-CZ 4.2Å; M295-F298 WeakPolarHBondContact O-CB 3.35Å; M295-F298 PolarHBondContact O-N 3.41Å; M295-F298 HydrophobicContact SD-CB 4.38Å; M295-F298 HydrophobicContact SD-CD2 4.2Å; M295-F298 HydrophobicContact SD-CG 4.42Å
299K77.4Confident77.1Confident165 Ų16573.8 Ų73.872%0.71738%0.381SS*.  trans-92.7-22.4175.9-65-174.6176.4-174.60111.8Q228 T297Q228-K299 PolarHBondContact O-N 3.41Å; T297-K299 PolarHBondContact O-N 3.39Å
300G66.6Low76.6Confident14 Ų1477.7 Ų77.714%0.14440%0.398CS..  trans57.3-167.8-17000000112.5
301R62.7Low76.2Confident130 Ų13083.6 Ų83.649%0.49143%0.425SS..  trans-119.8117.4175.8-176.4174.5170-157.7-9.2108.1R48R48-R301 VanDerWaalsContact CD-NH1 3.29Å
302T42.2Very low75.7Confident203 Ų20388 Ų88100%1.24545%0.445SS*.  trans-64.5016348.80000110.3

Retrieved 302 of 302 residues in 114.2 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).