A0A060X6H2_ONCMY Loading...

Ribosomal L1 domain-containing protein 1

Regulates cellular senescence through inhibition of PTEN translation. Acts as a pro-apoptotic regulator in response to DNA damage.

AlphaFold DB , UniProt , Accession A0A060X6H2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 380 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
1M32.4Very low56Low237 Ų237113.4 Ų113.4100%1.16762%0.62SS**  0124.80-67.2168.3177.800107.8
2A36.5Very low58.7Low100 Ų100112.9 Ų112.983%0.82660%0.603SS**PPolyproline II helixtrans-84.1116.1172.400000107.7K4A2-K4 PolarHBondContact O-N 3.2Å
3D39Very low61.2Low113 Ų113110.3 Ų110.360%0.60459%0.593SS**PPolyproline II helixtrans-56.6122.5172.2-63.3-48.6000107.8K223D3-K223 IonicContact OD2-NZ 2.75Å; D3-K223 PolarHBondContact OD2-NZ 2.69Å
4K42Very low63.4Low196 Ų196108.2 Ų108.285%0.85258%0.578SS**PPolyproline II helixtrans-56.7136.4172.7-71.9-179.9177.4179.70107.9A2 E6A2-K4 PolarHBondContact O-N 3.2Å; K4-E6 PolarHBondContact O-N 3.09Å
5P48.7Very low65.3Low92 Ų92101 Ų10160%0.59754%0.539SS*.PPolyproline II helixtrans-58.6126.5171.626-32.5000108.2E7P5-E7 PolarHBondContact O-N 3.25Å
6E54.1Low67.1Low88 Ų8898.6 Ų98.641%0.41152%0.522SS..  trans-64.2102.5177.4-169.8173.6-171.800107.7K4 L8 P225 H249K4-E6 PolarHBondContact O-N 3.09Å; E6-L8 PolarHBondContact O-N 2.98Å; E6-P225 VanDerWaalsContact OE2-CA 3.29Å; E6-P225 WeakPolarHBondContact OE2-CA 3.25Å; E6-P225 WeakPolarHBondContact OE2-CB 3.39Å; E6-P225 WeakPolarHBondContact OE2-CD 3.5Å; E6-H249 IonicContact OE1-CE1 3.3Å; E6-H249 PolarHBondContact OE1-CE1 3.22Å; E6-H249 VanDerWaalsContact OE1-CE1 3.3Å; E6-H249 IonicContact OE1-ND1 3.54Å
7E57Low68.6Low186 Ų186100.8 Ų100.887%0.86953%0.527SS*.  trans-73.794.9-171.3-169.7160.7-145.700109.6P5 A9P5-E7 PolarHBondContact O-N 3.25Å; E7-A9 VanDerWaalsContact C-N 3.26Å; E7-A9 PolarHBondContact O-N 3.08Å
8L68.8Low70Confident39 Ų3995.8 Ų95.820%0.20450%0.503CS..  trans-77.680.7-175.7-159.8157000109.1E6 L10 V213 V217 I227 Y243E6-L8 PolarHBondContact O-N 2.98Å; L8-L10 HydrophobicContact CD2-CD2 3.89Å; L8-L10 PolarHBondContact O-N 2.87Å; L8-V213 HydrophobicContact CD2-CG1 4.32Å; L8-V217 HydrophobicContact CB-CG2 4.22Å; L8-V217 HydrophobicContact CD1-CG2 4.36Å; L8-I227 HydrophobicContact CD1-CB 3.99Å; L8-I227 HydrophobicContact CD1-CD1 4.15Å; L8-I227 HydrophobicContact CD1-CG1 4.38Å; L8-Y243 HydrophobicContact CD1-CE1 4.07Å; L8-Y243 HydrophobicContact CD2-CD1 4.1Å; L8-Y243 HydrophobicContact CD2-CD2 3.76Å; L8-Y243 HydrophobicContact CD2-CE1 3.95Å; L8-Y243 HydrophobicContact CD2-CE2 3.59Å; L8-Y243 HydrophobicContact CD2-CG 4.01Å; L8-Y243 HydrophobicContact CG-CE1 4.32Å; L8-Y243 HydrophobicContact CG-CE2 4.14Å
9A69.9Low71.2Confident85 Ų8590.8 Ų90.870%0.70248%0.476SS*.  trans-61.6119.6178.800000110.6E7E7-A9 VanDerWaalsContact C-N 3.26Å; E7-A9 PolarHBondContact O-N 3.08Å
10L80.8Confident72.3Confident30 Ų3091.9 Ų91.916%0.15748%0.479CS..  trans-91.1140171.8-65.4-179.7000109.8L8 R12 V15 I209 V213 I230 I242 Y243L8-L10 HydrophobicContact CD2-CD2 3.89Å; L8-L10 PolarHBondContact O-N 2.87Å; L10-R12 PolarHBondContact O-N 3.33Å; L10-R12 VanDerWaalsContact O-N 3.09Å; L10-V15 HydrophobicContact CB-CG2 4.3Å; L10-V15 HydrophobicContact CD1-CG2 4.47Å; L10-I209 HydrophobicContact CD1-CG2 3.99Å; L10-V213 HydrophobicContact CD1-CB 4.03Å; L10-V213 HydrophobicContact CD1-CG1 4.21Å; L10-V213 HydrophobicContact CD1-CG2 3.75Å; L10-V213 HydrophobicContact CG-CG1 4.47Å; L10-I230 HydrophobicContact CD2-CD1 4.15Å; L10-I242 HydrophobicContact CD2-CG2 4.36Å; L10-Y243 HydrophobicContact CD2-CD2 4.09Å; L10-Y243 HydrophobicContact CD2-CG 4.08Å
11D86.9Confident73.3Confident81 Ų8190.2 Ų90.243%0.43348%0.478SS..  trans-71.6105.1167.1173.925.6000109.7V13 Q14 V15D11-V13 PolarHBondContact O-N 2.9Å; D11-V13 VanDerWaalsContact O-N 3.16Å; D11-V13 VanDerWaalsContact OD1-CB 3.3Å; D11-V13 WeakPolarHBondContact OD1-CB 3.44Å; D11-V13 PolarHBondContact OD1-N 3.17Å; D11-Q14 HydrophobicContact CB-CB 4.05Å; D11-Q14 PolarHBondContact O-N 2.93Å; D11-Q14 VanDerWaalsContact O-N 3.15Å; D11-Q14 VanDerWaalsContact OD2-CB 3.29Å; D11-Q14 WeakPolarHBondContact OD2-CB 3.19Å; D11-Q14 PolarHBondContact OD2-N 3.27Å; D11-V15 WeakPolarHBondContact O-CG2 3.45Å; D11-V15 PolarHBondContact O-N 3.4Å
12R88.3Confident76.1Confident108 Ų10879.1 Ų79.141%0.40842%0.424SS..Hα-helixtrans-57.7-27.2176.7-162.6176.6-173.2-170.23.6111.9L10 K16 E207L10-R12 PolarHBondContact O-N 3.33Å; L10-R12 VanDerWaalsContact O-N 3.09Å; R12-K16 WeakPolarHBondContact O-CB 3.38Å; R12-K16 WeakPolarHBondContact O-CG 3.5Å; R12-K16 PolarHBondContact O-N 3.33Å; R12-E207 IonicContact NH2-OE1 2.7Å; R12-E207 PolarHBondContact NH2-OE1 2.88Å
13V91.1Very high78.6Confident79 Ų7975.4 Ų75.448%0.47939%0.39SS..Hα-helixtrans-70.5-48.2176.5-176.30000110.6D11 K16 K17D11-V13 PolarHBondContact O-N 2.9Å; D11-V13 VanDerWaalsContact O-N 3.16Å; D11-V13 VanDerWaalsContact OD1-CB 3.3Å; D11-V13 WeakPolarHBondContact OD1-CB 3.44Å; D11-V13 PolarHBondContact OD1-N 3.17Å; V13-K16 PolarHBondContact O-N 2.92Å; V13-K17 HydrophobicContact CG1-CD 4.21Å; V13-K17 WeakPolarHBondContact O-CG 3.4Å; V13-K17 PolarHBondContact O-N 3.39Å
14Q91.6Very high81Confident81 Ų8172.6 Ų72.638%0.37938%0.382SS..Hα-helixtrans-60.5-42.3172.9-177.4169.5-1.200112.3D11 K17 A18 P241 I242D11-Q14 HydrophobicContact CB-CB 4.05Å; D11-Q14 PolarHBondContact O-N 2.93Å; D11-Q14 VanDerWaalsContact O-N 3.15Å; D11-Q14 VanDerWaalsContact OD2-CB 3.29Å; D11-Q14 WeakPolarHBondContact OD2-CB 3.19Å; D11-Q14 PolarHBondContact OD2-N 3.27Å; Q14-K17 PolarHBondContact O-N 3.25Å; Q14-A18 WeakPolarHBondContact O-CB 3.5Å; Q14-A18 PolarHBondContact O-N 3.49Å; Q14-P241 PolarHBondContact NE2-O 2.92Å; Q14-I242 VanDerWaalsContact CD-O 3.25Å; Q14-I242 PolarHBondContact NE2-O 3.4Å; Q14-I242 PolarHBondContact OE1-O 3.33Å
15V92.8Very high83.3Confident0 Ų066.4 Ų66.40%036%0.356CS..Hα-helixtrans-56.3-54.1174.3175.50000110.5L10 D11 K17 A18 V19 A206 I209 I242L10-V15 HydrophobicContact CB-CG2 4.3Å; L10-V15 HydrophobicContact CD1-CG2 4.47Å; D11-V15 WeakPolarHBondContact O-CG2 3.45Å; D11-V15 PolarHBondContact O-N 3.4Å; V15-K17 PolarHBondContact O-N 3.49Å; V15-A18 PolarHBondContact O-N 3.33Å; V15-V19 HydrophobicContact CG1-CG2 4.32Å; V15-V19 WeakPolarHBondContact O-CG2 3.46Å; V15-V19 PolarHBondContact O-N 2.86Å; V15-A206 HydrophobicContact CG1-CB 3.83Å; V15-I209 HydrophobicContact CG1-CB 4.36Å; V15-I209 HydrophobicContact CG1-CD1 3.79Å; V15-I209 HydrophobicContact CG1-CG2 4.19Å; V15-I209 HydrophobicContact CG2-CG2 4.44Å; V15-I242 HydrophobicContact CG2-CG2 3.56Å
16K93.1Very high85.1Confident62 Ų6262.4 Ų62.427%0.2733%0.329SS..Hα-helixtrans-60.2-44-179.1-74.2-173.8-173.3-157.70112.3R12 V13 A18 V19 Q20 D203 A206R12-K16 WeakPolarHBondContact O-CB 3.38Å; R12-K16 WeakPolarHBondContact O-CG 3.5Å; R12-K16 PolarHBondContact O-N 3.33Å; V13-K16 PolarHBondContact O-N 2.92Å; K16-A18 PolarHBondContact O-N 3.5Å; K16-V19 PolarHBondContact O-N 3.4Å; K16-Q20 WeakPolarHBondContact O-CB 3.37Å; K16-Q20 VanDerWaalsContact O-CG 3.3Å; K16-Q20 WeakPolarHBondContact O-CG 3.24Å; K16-Q20 PolarHBondContact O-N 3.26Å; K16-D203 WeakPolarHBondContact CE-OD1 3.27Å; K16-D203 IonicContact NZ-OD1 2.67Å; K16-D203 PolarHBondContact NZ-OD1 2.95Å; K16-A206 HydrophobicContact CG-CB 4.31Å
17K93.6Very high86.5Confident137 Ų13765.8 Ų65.860%0.59634%0.342SS*.Hα-helixtrans-59.4-45.7176-74172.7178.81750112V13 Q14 V15 Q20 A21V13-K17 HydrophobicContact CG1-CD 4.21Å; V13-K17 WeakPolarHBondContact O-CG 3.4Å; V13-K17 PolarHBondContact O-N 3.39Å; Q14-K17 PolarHBondContact O-N 3.25Å; V15-K17 PolarHBondContact O-N 3.49Å; K17-Q20 PolarHBondContact O-N 2.89Å; K17-A21 WeakPolarHBondContact O-CB 3.43Å; K17-A21 PolarHBondContact O-N 3.06Å
18A93.3Very high87.8Confident11 Ų1162 Ų629%0.09133%0.332CS..Hα-helixtrans-65.2-41.2178.100000112.3Q14 V15 K16 L22 L232 L240 I242Q14-A18 WeakPolarHBondContact O-CB 3.5Å; Q14-A18 PolarHBondContact O-N 3.49Å; V15-A18 PolarHBondContact O-N 3.33Å; K16-A18 PolarHBondContact O-N 3.5Å; A18-L22 VanDerWaalsContact O-CB 3.28Å; A18-L22 WeakPolarHBondContact O-CB 3.48Å; A18-L22 PolarHBondContact O-N 3.17Å; A18-L232 HydrophobicContact CB-CD2 4.48Å; A18-L240 HydrophobicContact CB-CB 4.29Å; A18-L240 HydrophobicContact CB-CD1 4.21Å; A18-L240 WeakPolarHBondContact O-CD1 3.25Å; A18-I242 HydrophobicContact CB-CD1 4.42Å; A18-I242 HydrophobicContact CB-CG1 4.03Å
19V93.3Very high88.2Confident1 Ų164.7 Ų64.71%0.00634%0.342CS..Hα-helixtrans-63.5-48.5175.5170.60000111V15 K16 L22 L23 A202 I205 I209 L232V15-V19 HydrophobicContact CG1-CG2 4.32Å; V15-V19 WeakPolarHBondContact O-CG2 3.46Å; V15-V19 PolarHBondContact O-N 2.86Å; K16-V19 PolarHBondContact O-N 3.4Å; V19-L22 PolarHBondContact O-N 3.17Å; V19-L23 HydrophobicContact CG1-CD1 3.86Å; V19-L23 HydrophobicContact CG1-CG 4.27Å; V19-L23 WeakPolarHBondContact O-CB 3.37Å; V19-L23 WeakPolarHBondContact O-CG 3.37Å; V19-L23 PolarHBondContact O-N 3.15Å; V19-A202 HydrophobicContact CG1-CB 3.95Å; V19-I205 HydrophobicContact CB-CG2 4.44Å; V19-I205 HydrophobicContact CG1-CB 3.97Å; V19-I205 HydrophobicContact CG1-CD1 3.81Å; V19-I205 HydrophobicContact CG1-CG1 4.49Å; V19-I205 HydrophobicContact CG1-CG2 3.84Å; V19-I205 HydrophobicContact CG2-CB 4.43Å; V19-I205 HydrophobicContact CG2-CG2 3.65Å; V19-I209 HydrophobicContact CG2-CD1 3.82Å; V19-L232 HydrophobicContact CB-CD2 4.5Å; V19-L232 HydrophobicContact CG2-CD2 3.74Å
20Q93.1Very high88Confident112 Ų11264.7 Ų64.752%0.52334%0.337SS..Hα-helixtrans-61.1-47.6179-74.6173.5-12.700112.3K16 K17 L22 L23 A24 A202K16-Q20 WeakPolarHBondContact O-CB 3.37Å; K16-Q20 VanDerWaalsContact O-CG 3.3Å; K16-Q20 WeakPolarHBondContact O-CG 3.24Å; K16-Q20 PolarHBondContact O-N 3.26Å; K17-Q20 PolarHBondContact O-N 2.89Å; Q20-L22 VanDerWaalsContact C-N 3.29Å; Q20-L22 PolarHBondContact O-N 3.5Å; Q20-L23 PolarHBondContact O-N 3.48Å; Q20-A24 WeakPolarHBondContact O-CB 3.44Å; Q20-A24 PolarHBondContact O-N 3.05Å; Q20-A202 HydrophobicContact CG-CB 4.31Å
21A92.8Very high86.9Confident57 Ų5767.1 Ų67.147%0.47135%0.353SS..Hα-helixtrans-59.9-40.1177.200000111.9K17 F25 L240K17-A21 WeakPolarHBondContact O-CB 3.43Å; K17-A21 PolarHBondContact O-N 3.06Å; A21-F25 PolarHBondContact O-N 3.2Å; A21-F25 VanDerWaalsContact O-N 3.14Å; A21-L240 HydrophobicContact CB-CD1 4.39Å
22L90.7Very high85.3Confident4 Ų468.5 Ų68.52%0.02137%0.367CS..Hα-helixtrans-71-44.2177.8-174.552.5000112A18 V19 Q20 A24 F25 L26 L43 L232 S237 L240A18-L22 VanDerWaalsContact O-CB 3.28Å; A18-L22 WeakPolarHBondContact O-CB 3.48Å; A18-L22 PolarHBondContact O-N 3.17Å; V19-L22 PolarHBondContact O-N 3.17Å; Q20-L22 VanDerWaalsContact C-N 3.29Å; Q20-L22 PolarHBondContact O-N 3.5Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 2.9Å; L22-F25 HydrophobicContact CD1-CD1 4.33Å; L22-F25 WeakPolarHBondContact O-CB 3.5Å; L22-F25 PolarHBondContact O-N 2.91Å; L22-F25 VanDerWaalsContact O-N 3.16Å; L22-L26 HydrophobicContact CD1-CD2 4.48Å; L22-L26 HydrophobicContact CD1-CG 4.41Å; L22-L26 HydrophobicContact CG-CD1 4.48Å; L22-L26 VanDerWaalsContact O-CG 3.32Å; L22-L26 WeakPolarHBondContact O-CG 3.4Å; L22-L26 PolarHBondContact O-N 3.02Å; L22-L43 HydrophobicContact CD2-CD2 3.37Å; L22-L43 HydrophobicContact CG-CD2 3.75Å; L22-L232 HydrophobicContact CD2-CD2 3.85Å; L22-L232 HydrophobicContact CD2-CG 3.67Å; L22-S237 WeakPolarHBondContact CD1-OG 3.3Å; L22-L240 HydrophobicContact CB-CD1 4.1Å
23L90.3Very high83.4Confident21 Ų2171 Ų7111%0.1139%0.388CS..Hα-helixtrans-59.7-40.9175-72.5174.9000112V19 Q20 F25 L26 K27 L43 A202 I205V19-L23 HydrophobicContact CG1-CD1 3.86Å; V19-L23 HydrophobicContact CG1-CG 4.27Å; V19-L23 WeakPolarHBondContact O-CB 3.37Å; V19-L23 WeakPolarHBondContact O-CG 3.37Å; V19-L23 PolarHBondContact O-N 3.15Å; Q20-L23 PolarHBondContact O-N 3.48Å; L23-F25 VanDerWaalsContact C-N 3.35Å; L23-F25 PolarHBondContact O-N 2.91Å; L23-L26 PolarHBondContact O-N 2.68Å; L23-K27 WeakPolarHBondContact O-CG 3.42Å; L23-K27 PolarHBondContact O-N 3.3Å; L23-L43 HydrophobicContact CD2-CD1 4.22Å; L23-A202 HydrophobicContact CD1-CB 4.19Å; L23-I205 HydrophobicContact CD1-CD1 4.03Å; L23-I205 HydrophobicContact CD2-CD1 4.24Å; L23-I205 HydrophobicContact CG-CD1 4.47Å
24A90Very high81.7Confident54 Ų5470.8 Ų70.845%0.44639%0.39SS..Hα-helixtrans-60.1-43.8174.400000111.8Q20 L22 K27 T28Q20-A24 WeakPolarHBondContact O-CB 3.44Å; Q20-A24 PolarHBondContact O-N 3.05Å; L22-A24 VanDerWaalsContact C-N 3.32Å; L22-A24 PolarHBondContact O-N 2.9Å; A24-K27 PolarHBondContact O-N 3.49Å; A24-T28 PolarHBondContact O-N 2.84Å; A24-T28 PolarHBondContact O-OG1 3.46Å
25F88.8Confident79.7Confident67 Ų6774.3 Ų74.329%0.29441%0.411SS..Hα-helixtrans-65.8-35.1176.3175.8-92000113.9A21 L22 L23 T28 K29A21-F25 PolarHBondContact O-N 3.2Å; A21-F25 VanDerWaalsContact O-N 3.14Å; L22-F25 HydrophobicContact CD1-CD1 4.33Å; L22-F25 WeakPolarHBondContact O-CB 3.5Å; L22-F25 PolarHBondContact O-N 2.91Å; L22-F25 VanDerWaalsContact O-N 3.16Å; L23-F25 VanDerWaalsContact C-N 3.35Å; L23-F25 PolarHBondContact O-N 2.91Å; F25-T28 PolarHBondContact O-OG1 3.38Å; F25-K29 HydrophobicContact CD1-CD 4.33Å; F25-K29 HydrophobicContact CE1-CD 3.66Å; F25-K29 HydrophobicContact CE1-CG 4.48Å; F25-K29 HydrophobicContact CE2-CD 4.36Å; F25-K29 HydrophobicContact CZ-CD 3.73Å; F25-K29 PolarHBondContact O-N 3.4Å
26L86.2Confident77.6Confident7 Ų781.8 Ų81.84%0.03745%0.45CS..Hα-helixtrans-69.8-36.8175.3-60.6175.6000111.1L22 L23 K29 S30 Q41 L43 S234L22-L26 HydrophobicContact CD1-CD2 4.48Å; L22-L26 HydrophobicContact CD1-CG 4.41Å; L22-L26 HydrophobicContact CG-CD1 4.48Å; L22-L26 VanDerWaalsContact O-CG 3.32Å; L22-L26 WeakPolarHBondContact O-CG 3.4Å; L22-L26 PolarHBondContact O-N 3.02Å; L23-L26 PolarHBondContact O-N 2.68Å; L26-K29 PolarHBondContact O-N 3.23Å; L26-S30 PolarHBondContact O-N 2.99Å; L26-Q41 HydrophobicContact CD1-CB 4.36Å; L26-Q41 HydrophobicContact CD2-CB 4.38Å; L26-L43 HydrophobicContact CD1-CD2 3.84Å; L26-L43 HydrophobicContact CD1-CG 4.5Å; L26-S234 WeakPolarHBondContact CD2-OG 3.42Å
27K84.8Confident75.6Confident159 Ų15986 Ų8669%0.69148%0.475SS*.Hα-helixtrans-64.1-45.1173.7-71.5175.7179.1-173.70112.2L23 A24 K29 S30L23-K27 WeakPolarHBondContact O-CG 3.42Å; L23-K27 PolarHBondContact O-N 3.3Å; A24-K27 PolarHBondContact O-N 3.49Å; K27-K29 VanDerWaalsContact C-N 3.3Å; K27-K29 PolarHBondContact O-N 2.96Å; K27-S30 PolarHBondContact O-N 3.4Å
28T84.3Confident73.5Confident108 Ų10887.2 Ų87.266%0.66349%0.488SS*.Hα-helixtrans-69.5-25.2178.856.40000113.8A24 F25A24-T28 PolarHBondContact O-N 2.84Å; A24-T28 PolarHBondContact O-OG1 3.46Å; F25-T28 PolarHBondContact O-OG1 3.38Å
29K76.5Confident71.8Confident95 Ų9594 Ų9441%0.41352%0.517SS..THydrogen-bonded Turntrans-83.8-8.9173.5-79.8-165169-171.40114.9F25 L26 K27 T31 S236F25-K29 HydrophobicContact CD1-CD 4.33Å; F25-K29 HydrophobicContact CE1-CD 3.66Å; F25-K29 HydrophobicContact CE1-CG 4.48Å; F25-K29 HydrophobicContact CE2-CD 4.36Å; F25-K29 HydrophobicContact CZ-CD 3.73Å; F25-K29 PolarHBondContact O-N 3.4Å; L26-K29 PolarHBondContact O-N 3.23Å; K27-K29 VanDerWaalsContact C-N 3.3Å; K27-K29 PolarHBondContact O-N 2.96Å; K29-T31 VanDerWaalsContact C-N 3.26Å; K29-T31 PolarHBondContact O-N 3.14Å; K29-S236 PolarHBondContact NZ-O 3.12Å
30S66.1Low70.5Confident85 Ų8595.3 Ų95.359%0.59453%0.526SS*.  trans-8175.2175.6-168.20000109.6L26 K27L26-S30 PolarHBondContact O-N 2.99Å; K27-S30 PolarHBondContact O-N 3.4Å
31T57.9Low69.9Low80 Ų8092.7 Ų92.749%0.49151%0.514SS..  trans-85.6150.117650.20000111.3K29 D33 S34K29-T31 VanDerWaalsContact C-N 3.26Å; K29-T31 PolarHBondContact O-N 3.14Å; T31-D33 PolarHBondContact O-N 2.8Å; T31-S34 WeakPolarHBondContact O-CB 3.28Å; T31-S34 PolarHBondContact O-N 3.17Å; T31-S34 VanDerWaalsContact O-N 3.08Å; T31-S34 PolarHBondContact O-OG 2.93Å
32P53.6Low69.6Low111 Ų11192.5 Ų92.572%0.72150%0.504SS*.THydrogen-bonded Turntrans-69.4-6.9-164.626.8-36.6000116.2S34 L35P32-S34 PolarHBondContact O-N 3.42Å; P32-L35 WeakPolarHBondContact O-CD1 3.36Å; P32-L35 VanDerWaalsContact O-CG 3.31Å; P32-L35 WeakPolarHBondContact O-CG 3.33Å
33D48.4Very low69.6Low159 Ų15992.4 Ų92.485%0.8550%0.503SS*.THydrogen-bonded Turntrans-74.4-8.9170.6-74-31.3000112.9T31 L35T31-D33 PolarHBondContact O-N 2.8Å; D33-L35 PolarHBondContact O-N 2.93Å; D33-L35 VanDerWaalsContact O-N 3.1Å
34S55Low69.7Low75 Ų7592 Ų9252%0.52450%0.502SS..  trans-82.932.3-179.3-45.20000113.4T31 P32 L36T31-S34 WeakPolarHBondContact O-CB 3.28Å; T31-S34 PolarHBondContact O-N 3.17Å; T31-S34 VanDerWaalsContact O-N 3.08Å; T31-S34 PolarHBondContact O-OG 2.93Å; P32-S34 PolarHBondContact O-N 3.42Å; S34-L36 PolarHBondContact O-N 3.33Å
35L49Very low69.9Low155 Ų15589.4 Ų89.481%0.81248%0.48SS*.  trans-67.44.1-173.6-80.1162.1000115.6P32 D33 L37P32-L35 WeakPolarHBondContact O-CD1 3.36Å; P32-L35 VanDerWaalsContact O-CG 3.31Å; P32-L35 WeakPolarHBondContact O-CG 3.33Å; D33-L35 PolarHBondContact O-N 2.93Å; D33-L35 VanDerWaalsContact O-N 3.1Å; L35-L37 VanDerWaalsContact C-N 3.33Å; L35-L37 PolarHBondContact O-N 2.67Å; L35-L37 VanDerWaalsContact O-N 3.11Å
36L49.8Very low70.1Confident157 Ų15787.9 Ų87.982%0.82248%0.475SS*.SBendtrans-88.975.7178.7-62.1-173.4000111S34S34-L36 PolarHBondContact O-N 3.33Å
37L49.3Very low70.3Confident152 Ų15287.6 Ų87.680%0.79647%0.474SS*.  trans69.1150.4175.4-56.9163.8000114.4L35 E39L35-L37 VanDerWaalsContact C-N 3.33Å; L35-L37 PolarHBondContact O-N 2.67Å; L35-L37 VanDerWaalsContact O-N 3.11Å; L37-E39 PolarHBondContact O-N 3Å
38D50Low70.6Confident162 Ų16281 Ų8187%0.86645%0.447SS*.  trans-75.463.7-179.5-164.714.3000110.3S40D38-S40 VanDerWaalsContact C-N 3.25Å; D38-S40 PolarHBondContact O-N 2.82Å
39E57.8Low70.8Confident153 Ų15376.2 Ų76.272%0.71542%0.417SS*.  trans-67.484.8179-77.8-150.2165.700110.2L37 Q41L37-E39 PolarHBondContact O-N 3Å; E39-Q41 WeakPolarHBondContact O-CG 3.49Å; E39-Q41 PolarHBondContact O-N 3.24Å
40S66.7Low71.2Confident28 Ų2875.2 Ų75.220%0.19641%0.411CS..  trans-51.8102.8177.264.70000110.9D38 H42D38-S40 VanDerWaalsContact C-N 3.25Å; D38-S40 PolarHBondContact O-N 2.82Å; S40-H42 PolarHBondContact O-N 2.96Å; S40-H42 PolarHBondContact O-ND1 2.86Å
41Q79.2Confident72Confident57 Ų5776.6 Ų76.627%0.26641%0.406SS..  trans-65.3113-164.3-67.7-169.132.700109.9L26 E39 L43 S198 S236L26-Q41 HydrophobicContact CD1-CB 4.36Å; L26-Q41 HydrophobicContact CD2-CB 4.38Å; E39-Q41 WeakPolarHBondContact O-CG 3.49Å; E39-Q41 PolarHBondContact O-N 3.24Å; Q41-L43 PolarHBondContact O-N 3.27Å; Q41-S198 PolarHBondContact N-OG 2.72Å; Q41-S198 PolarHBondContact O-N 3.2Å; Q41-S236 PolarHBondContact OE1-OG 3.01Å
42H86.9Confident73.3Confident54 Ų5476.4 Ų76.425%0.2540%0.402CS..  trans-65.2128-174-59-18.8000112.1S40S40-H42 PolarHBondContact O-N 2.96Å; S40-H42 PolarHBondContact O-ND1 2.86Å
43L91.1Very high74.6Confident1 Ų171.4 Ų71.41%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-89.1130.6171.9-66.1168.9000109.3L22 L23 L26 Q41 V195 A196 I205L22-L43 HydrophobicContact CD2-CD2 3.37Å; L22-L43 HydrophobicContact CG-CD2 3.75Å; L23-L43 HydrophobicContact CD2-CD1 4.22Å; L26-L43 HydrophobicContact CD1-CD2 3.84Å; L26-L43 HydrophobicContact CD1-CG 4.5Å; Q41-L43 PolarHBondContact O-N 3.27Å; L43-V195 PolarHBondContact O-N 3.16Å; L43-A196 HydrophobicContact CB-CB 3.99Å; L43-A196 HydrophobicContact CD1-CB 3.82Å; L43-A196 HydrophobicContact CG-CB 4.46Å; L43-A196 PolarHBondContact N-O 3.23Å; L43-A196 PolarHBondContact O-N 3.03Å; L43-I205 HydrophobicContact CD1-CD1 3.81Å; L43-I205 HydrophobicContact CD1-CG2 4.48Å
44S92.8Very high76.2Confident12 Ų1272.8 Ų72.88%0.08437%0.367CS..EExtended strand (participates in β ladder)trans-130.6136.9-176.1-59.80000112A193 K233S44-A193 CarbonylContact C-O 3.58Å; S44-A193 WeakPolarHBondContact CA-O 3.45Å; S44-A193 VanDerWaalsContact CB-O 3.32Å; S44-A193 WeakPolarHBondContact CB-O 3.33Å; S44-K233 PolarHBondContact N-O 3.35Å; S44-K233 PolarHBondContact O-N 2.83Å; S44-K233 VanDerWaalsContact O-O 3.06Å
45L93.5Very high77.6Confident0 Ų075 Ų750%037%0.369CS..EExtended strand (participates in β ladder)trans-86.6132.8166.7-67.9-179.3000110F47 M192 A193 V195 I209 V213 I230 H231 L232 I242L45-F47 HydrophobicContact CB-CD2 4.31Å; L45-F47 HydrophobicContact CB-CE2 3.5Å; L45-F47 HydrophobicContact CB-CZ 3.73Å; L45-F47 HydrophobicContact CD1-CE1 4.47Å; L45-F47 HydrophobicContact CD1-CE2 4.23Å; L45-F47 HydrophobicContact CD1-CZ 3.63Å; L45-F47 HydrophobicContact CG-CZ 4.36Å; L45-M192 CarbonylContact O-C 3.49Å; L45-M192 VanDerWaalsContact O-CA 3.26Å; L45-M192 WeakPolarHBondContact O-CA 3.06Å; L45-A193 PolarHBondContact N-O 2.84Å; L45-A193 PolarHBondContact O-N 2.85Å; L45-V195 HydrophobicContact CB-CG2 4.12Å; L45-V195 HydrophobicContact CD1-CG2 3.8Å; L45-V195 HydrophobicContact CG-CB 4.39Å; L45-V195 HydrophobicContact CG-CG2 3.7Å; L45-I209 HydrophobicContact CD1-CB 4.39Å; L45-I209 HydrophobicContact CD1-CG1 4.13Å; L45-I209 HydrophobicContact CD1-CG2 4.05Å; L45-I209 HydrophobicContact CD2-CD1 4.42Å; L45-I209 HydrophobicContact CD2-CG1 4.23Å; L45-I209 HydrophobicContact CG-CG1 4.4Å; L45-V213 HydrophobicContact CD1-CG2 4.3Å; L45-I230 HydrophobicContact CD2-CG2 4.08Å; L45-H231 CarbonylContact C-O 3.58Å; L45-H231 WeakPolarHBondContact CA-O 3.31Å; L45-L232 HydrophobicContact CD2-CB 4.15Å; L45-L232 HydrophobicContact CD2-CD1 3.78Å; L45-I242 HydrophobicContact CD2-CD1 4.22Å
46L93.6Very high79.3Confident35 Ų3570.5 Ų70.518%0.18336%0.355CS..EExtended strand (participates in β ladder)trans-109.4111.3172.817465000108.7C190 M192 H231 K233L46-C190 HydrophobicContact CD1-CB 4.12Å; L46-M192 HydrophobicContact CD1-CB 4.44Å; L46-M192 HydrophobicContact CD1-CE 4.13Å; L46-H231 HydrophobicContact CB-CB 4.36Å; L46-H231 PolarHBondContact N-O 2.94Å; L46-H231 PolarHBondContact O-N 3.04Å; L46-K233 HydrophobicContact CB-CD 4.33Å; L46-K233 HydrophobicContact CB-CG 4.45Å; L46-K233 HydrophobicContact CD2-CD 4.34Å
47F90.8Very high81.1Confident1 Ų163.9 Ų63.90%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-95.9126.2177.4-58.3-91.7000109.5L45 I182 C190 C191 A193 V213 I216 I227 I230L45-F47 HydrophobicContact CB-CD2 4.31Å; L45-F47 HydrophobicContact CB-CE2 3.5Å; L45-F47 HydrophobicContact CB-CZ 3.73Å; L45-F47 HydrophobicContact CD1-CE1 4.47Å; L45-F47 HydrophobicContact CD1-CE2 4.23Å; L45-F47 HydrophobicContact CD1-CZ 3.63Å; L45-F47 HydrophobicContact CG-CZ 4.36Å; F47-I182 HydrophobicContact CD2-CD1 3.8Å; F47-I182 HydrophobicContact CE2-CD1 4.15Å; F47-C190 CarbonylContact O-C 3.4Å; F47-C190 VanDerWaalsContact O-CA 3.3Å; F47-C190 WeakPolarHBondContact O-CA 3.22Å; F47-C191 PolarHBondContact N-O 3.48Å; F47-C191 PolarHBondContact O-N 3.4Å; F47-A193 HydrophobicContact CE2-CB 4.3Å; F47-V213 HydrophobicContact CE1-CG2 3.92Å; F47-V213 HydrophobicContact CZ-CG2 4.23Å; F47-I216 HydrophobicContact CD1-CD1 4.44Å; F47-I216 HydrophobicContact CD2-CD1 4.12Å; F47-I216 HydrophobicContact CE1-CD1 3.79Å; F47-I216 HydrophobicContact CE2-CD1 3.42Å; F47-I216 VanDerWaalsContact CE2-CD1 3.42Å; F47-I216 HydrophobicContact CZ-CD1 3.23Å; F47-I227 HydrophobicContact CD1-CD1 4.2Å; F47-I230 HydrophobicContact CD1-CD1 4.15Å; F47-I230 HydrophobicContact CD1-CG1 3.89Å; F47-I230 HydrophobicContact CD1-CG2 4.22Å; F47-I230 HydrophobicContact CE1-CD1 3.93Å; F47-I230 HydrophobicContact CE1-CG1 4.11Å; F47-I230 HydrophobicContact CE1-CG2 4Å
48T90.6Very high82.9Confident22 Ų2259.8 Ų59.814%0.13530%0.301CS..EExtended strand (participates in β ladder)trans-104.2122.7169.6-59.50000108.5K228 I229T48-K228 HydrophobicContact CG2-CB 4.43Å; T48-K228 HydrophobicContact CG2-CD 4.48Å; T48-K228 WeakPolarHBondContact O-CA 3.46Å; T48-K228 WeakPolarHBondContact O-CB 3.16Å; T48-K228 PolarHBondContact O-N 3.08Å; T48-I229 PolarHBondContact N-O 2.83Å; T48-I229 PolarHBondContact O-N 3.42Å
49L88.1Confident84.7Confident7 Ų752.5 Ų52.54%0.03726%0.262CS..EExtended strand (participates in β ladder)trans-99.2141-176.9-56.6176.6000112.1K51 P53 I184 C189 L226 I227L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 3.16Å; L49-P53 HydrophobicContact CD1-CG 4.36Å; L49-I184 HydrophobicContact CD1-CG2 4.29Å; L49-C189 WeakPolarHBondContact CB-O 3.43Å; L49-C189 WeakPolarHBondContact CG-O 3.43Å; L49-C189 PolarHBondContact N-O 2.7Å; L49-C189 WeakPolarHBondContact O-CB 3.41Å; L49-L226 CarbonylContact C-O 3.54Å; L49-L226 WeakPolarHBondContact CA-O 3.42Å; L49-L226 HydrophobicContact CB-CD2 4.35Å; L49-L226 HydrophobicContact CB-CG 4.27Å; L49-L226 HydrophobicContact CD1-CD2 3.86Å; L49-L226 HydrophobicContact CD2-CB 4.45Å; L49-L226 HydrophobicContact CD2-CD2 4Å; L49-L226 HydrophobicContact CD2-CG 4.16Å; L49-L226 HydrophobicContact CG-CD2 4.28Å; L49-I227 HydrophobicContact CD2-CG1 4.05Å
50W84.3Confident86.2Confident74 Ų7449.6 Ų49.628%0.2824%0.244SC..SBendtrans-64.5-34173-82.6115.8000113.3L226 K228 S245 L250 L253W50-L226 PolarHBondContact N-O 3.47Å; W50-K228 HydrophobicContact CD2-CB 3.97Å; W50-K228 HydrophobicContact CD2-CD 4.04Å; W50-K228 HydrophobicContact CD2-CG 3.91Å; W50-K228 VanDerWaalsContact CE2-CG 3.49Å; W50-K228 HydrophobicContact CE3-CD 4.01Å; W50-K228 HydrophobicContact CE3-CG 4.38Å; W50-K228 HydrophobicContact CG-CB 3.96Å; W50-K228 HydrophobicContact CG-CG 4.43Å; W50-K228 HydrophobicContact CH2-CD 3.98Å; W50-K228 HydrophobicContact CH2-CG 4.18Å; W50-K228 HydrophobicContact CZ2-CB 4.48Å; W50-K228 HydrophobicContact CZ2-CD 3.98Å; W50-K228 HydrophobicContact CZ2-CG 3.66Å; W50-K228 HydrophobicContact CZ3-CD 3.98Å; W50-S245 PolarHBondContact NE1-OG 3.48Å; W50-L250 HydrophobicContact CE3-CD1 4.37Å; W50-L250 HydrophobicContact CH2-CB 4.45Å; W50-L250 HydrophobicContact CH2-CD1 4.06Å; W50-L250 HydrophobicContact CH2-CD2 4.41Å; W50-L250 HydrophobicContact CZ3-CD1 3.84Å; W50-L253 HydrophobicContact CB-CD1 3.75Å; W50-L253 HydrophobicContact CD2-CD1 4.13Å; W50-L253 HydrophobicContact CG-CD1 3.68Å
51K82.9Confident87.4Confident114 Ų11448.4 Ų48.450%0.49624%0.236SC..SBendtrans-135.7126-174.4-177.9178.9-173.4174.20110L49 P53 L226L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 3.16Å; K51-P53 WeakPolarHBondContact O-CD 3.49Å; K51-L226 HydrophobicContact CB-CD1 3.79Å
52I85.5Confident87.8Confident76 Ų7647.3 Ų47.339%0.3923%0.234SC..  trans-71127.8-179.7-54.7176000109.1K186 C189I52-K186 VanDerWaalsContact CG2-O 3.31Å; I52-K186 WeakPolarHBondContact CG2-O 3.32Å; I52-C189 HydrophobicContact CG1-CB 4.38Å
53P82Confident88Confident5 Ų545.3 Ų45.33%0.03223%0.225CC..  trans-63.8138.2178.3-26.738000113.2L49 K51 Q55 I184 V222 L226L49-P53 HydrophobicContact CD1-CG 4.36Å; K51-P53 WeakPolarHBondContact O-CD 3.49Å; P53-Q55 VanDerWaalsContact C-N 3.27Å; P53-Q55 PolarHBondContact O-N 2.88Å; P53-I184 HydrophobicContact CG-CG2 3.79Å; P53-V222 HydrophobicContact CB-CG2 3.98Å; P53-V222 HydrophobicContact CG-CG2 4.02Å; P53-L226 HydrophobicContact CG-CD2 4.4Å
54K81.3Confident87.9Confident188 Ų18848.5 Ų48.582%0.81725%0.246SC*.SBendtrans-66.4-27.7178.4-63.5-174.7178.1-175.90113.2K186K54-K186 WeakPolarHBondContact O-CD 3.32Å; K54-K186 VanDerWaalsContact O-CE 3.27Å; K54-K186 WeakPolarHBondContact O-CE 3.48Å; K54-K186 PolarHBondContact O-NZ 2.88Å
55Q83.9Confident87.8Confident121 Ų12150.4 Ų50.457%0.56525%0.253SS*.SBendtrans-115.1137.1178.5-68-172.9-2.300109.6P53P53-Q55 VanDerWaalsContact C-N 3.27Å; P53-Q55 PolarHBondContact O-N 2.88Å
56A85.9Confident87.3Confident62 Ų6251.9 Ų51.951%0.51227%0.268SS..  trans-74.7141.1169.500000108.3I184 K186A56-I184 VanDerWaalsContact CA-O 3.29Å; A56-I184 WeakPolarHBondContact CA-O 3.45Å; A56-K186 HydrophobicContact CB-CG 4.1Å
57Q85.9Confident86.9Confident18 Ų1850.8 Ų50.88%0.08426%0.262CS..EExtended strand (participates in β ladder)trans-149.1137.9-177.160.2-170.6-1.300110.4I59 I184 R221Q57-I59 HydrophobicContact CG-CG1 4.29Å; Q57-I184 HydrophobicContact CG-CB 4.05Å; Q57-I184 HydrophobicContact CG-CD1 4.38Å; Q57-I184 PolarHBondContact N-O 2.83Å; Q57-I184 VanDerWaalsContact N-O 3.12Å; Q57-I184 PolarHBondContact O-N 3.37Å; Q57-R221 VanDerWaalsContact OE1-CD 3.23Å
58T87.8Confident86.4Confident66 Ų6654.3 Ų54.341%0.40528%0.275SS..EExtended strand (participates in β ladder)trans-99.9113169.6-56.10000107.6E158 I182T58-E158 PolarHBondContact OG1-OE1 3.27Å; T58-I182 CarbonylContact C-O 3.57Å; T58-I182 WeakPolarHBondContact CA-O 3.4Å
59I88.9Confident85.6Confident9 Ų956.4 Ų56.45%0.04629%0.288CS..EExtended strand (participates in β ladder)trans-95.6135.5178.7-62.5179.6000108.4Q57 T181 I182 I184 K219Q57-I59 HydrophobicContact CG-CG1 4.29Å; I59-T181 CarbonylContact O-C 3.35Å; I59-T181 VanDerWaalsContact O-CA 3.3Å; I59-T181 WeakPolarHBondContact O-CA 3.49Å; I59-I182 HydrophobicContact CB-CG2 3.77Å; I59-I182 HydrophobicContact CG2-CG2 4.39Å; I59-I182 PolarHBondContact N-O 2.84Å; I59-I182 PolarHBondContact O-N 2.72Å; I59-I184 HydrophobicContact CD1-CD1 3.65Å; I59-I184 HydrophobicContact CG1-CD1 4.34Å; I59-K219 HydrophobicContact CD1-CB 4.12Å; I59-K219 HydrophobicContact CG1-CB 4.42Å; I59-K219 HydrophobicContact CG2-CB 3.65Å; I59-K219 HydrophobicContact CG2-CD 3.76Å; I59-K219 HydrophobicContact CG2-CG 4.33Å
60R88.3Confident84.8Confident91 Ų9163.6 Ų63.634%0.34333%0.327SS..EExtended strand (participates in β ladder)trans-95.2131.7172.3-52.3-171.5-166.6-1703.1110.8S161 T181 K219R60-S161 PolarHBondContact NH1-O 2.9Å; R60-S161 PolarHBondContact NH2-O 2.66Å; R60-S161 PolarHBondContact NH2-OG 2.67Å; R60-T181 HydrophobicContact CB-CG2 4.45Å; R60-T181 HydrophobicContact CG-CG2 4.01Å; R60-K219 PolarHBondContact O-NZ 3.07Å
61I91.3Very high84.5Confident4 Ų465.6 Ų65.62%0.02135%0.348CS..EExtended strand (participates in β ladder)trans-114.4100.4-179-56.7171.3000106.4L63 G179 T180 I182 A193 A212 T215 I216I61-L63 HydrophobicContact CG2-CD2 3.72Å; I61-L63 HydrophobicContact CG2-CG 4.23Å; I61-G179 CarbonylContact O-C 3.58Å; I61-G179 WeakPolarHBondContact O-CA 3.3Å; I61-T180 WeakPolarHBondContact CA-O 3.31Å; I61-T180 WeakPolarHBondContact CB-O 3.41Å; I61-T180 PolarHBondContact N-O 3.34Å; I61-T180 PolarHBondContact O-N 3.33Å; I61-I182 HydrophobicContact CD1-CB 4.23Å; I61-I182 HydrophobicContact CD1-CG2 3.92Å; I61-I182 HydrophobicContact CG1-CG2 4.48Å; I61-A193 HydrophobicContact CD1-CB 4.27Å; I61-A212 HydrophobicContact CG2-CB 3.82Å; I61-T215 HydrophobicContact CB-CG2 4.44Å; I61-T215 HydrophobicContact CG1-CG2 4.24Å; I61-T215 HydrophobicContact CG2-CG2 4.45Å; I61-I216 HydrophobicContact CD1-CD1 3.71Å; I61-I216 HydrophobicContact CD1-CG1 3.73Å; I61-I216 HydrophobicContact CG1-CG1 4.26Å
62P89.3Confident84.4Confident34 Ų3462 Ų6222%0.22133%0.334CS..  trans-66.8135.6165.632.4-30000107.3R175P62-R175 HydrophobicContact CB-CG 3.72Å
63L91.2Very high84.6Confident11 Ų1162 Ų626%0.05833%0.332CS..  trans-113.7144.4177.8-65.1170.5000108.4I61 I67 N208 A212I61-L63 HydrophobicContact CG2-CD2 3.72Å; I61-L63 HydrophobicContact CG2-CG 4.23Å; L63-I67 HydrophobicContact CD1-CD1 3.23Å; L63-I67 HydrophobicContact CD1-CG1 3.81Å; L63-N208 HydrophobicContact CD2-CB 4.23Å; L63-N208 WeakPolarHBondContact CD2-O 3.22Å; L63-A212 HydrophobicContact CD2-CB 4.14Å
64P88.8Confident85.1Confident68 Ų6861.9 Ų61.944%0.44233%0.331SS..SBendtrans-64.6-42.8174.223.9-30.9000111.3E207 N208P64-E207 HydrophobicContact CG-CB 4.41Å; P64-N208 WeakPolarHBondContact CD-OD1 3.46Å; P64-N208 VanDerWaalsContact CG-OD1 3.29Å; P64-N208 WeakPolarHBondContact CG-OD1 3.45Å
65H90.3Very high85.6Confident53 Ų5353 Ų5325%0.24529%0.292CS..SBendtrans-108.7131.7-177.8-53.5-66000110.9M200 E204 E207 N208H65-M200 HydrophobicContact CB-CE 3.55Å; H65-E204 HydrophobicContact CB-CB 4.26Å; H65-E204 PolarHBondContact CD2-O 3.35Å; H65-E207 IonicContact CD2-OE2 2.68Å; H65-E207 IonicContact CE1-OE2 3.15Å; H65-E207 IonicContact NE2-OE2 3.59Å; H65-E207 PolarHBondContact NE2-OE2 3.16Å; H65-N208 WeakPolarHBondContact CB-OD1 3.27Å; H65-N208 PolarHBondContact N-OD1 2.92Å; H65-N208 PolarHBondContact O-ND2 2.92Å; H65-N208 PolarHBondContact O-OD1 3.24Å
66G82.9Confident86.1Confident30 Ų3047.2 Ų47.231%0.30927%0.265SS..  trans-71.7132.6-175.600000113R68 M200G66-R68 VanDerWaalsContact C-N 3.3Å; G66-M200 WeakPolarHBondContact O-CE 3.35Å
67I84.4Confident86.5Confident12 Ų1244.3 Ų44.36%0.06224%0.241CC..  trans-79.3-15.7177.5-58.8160.8000112.4L63 T180 V195 H197L63-I67 HydrophobicContact CD1-CD1 3.23Å; L63-I67 HydrophobicContact CD1-CG1 3.81Å; I67-T180 WeakPolarHBondContact CD1-OG1 3.38Å; I67-V195 WeakPolarHBondContact CG1-O 3.36Å; I67-H197 PolarHBondContact O-ND1 3.04Å
68R80.8Confident86.8Confident75 Ų7543.5 Ų43.528%0.28324%0.237SC..SBendtrans-112.1144.4-159.8-51.8171.183.5121.713.3109.9G66 D72 M133 I177G66-R68 VanDerWaalsContact C-N 3.3Å; R68-D72 IonicContact CZ-OD2 3.6Å; R68-D72 IonicContact NE-OD2 2.71Å; R68-D72 PolarHBondContact NE-OD2 3.37Å; R68-D72 IonicContact NH2-OD2 2.6Å; R68-D72 PolarHBondContact NH2-OD2 2.68Å; R68-M133 PolarHBondContact NH1-SD 2.7Å; R68-I177 WeakPolarHBondContact CD-O 3.2Å
69T75.1Confident87Confident66 Ų6645.7 Ų45.741%0.40524%0.238SC..  trans-79.3156.1174.550.20000110.3T71 D72T69-T71 PolarHBondContact O-N 2.84Å; T69-T71 PolarHBondContact OG1-OG1 2.87Å; T69-D72 PolarHBondContact O-N 3.02Å
70D71.3Confident86.9Confident158 Ų15846.3 Ų46.385%0.84524%0.242SC*.THydrogen-bonded Turntrans-67.2-3177.7-67.8-54.7000113.8
71T77.4Confident86.8Confident117 Ų11744.3 Ų44.372%0.71824%0.236SC*.THydrogen-bonded Turntrans-85.5-11175.559.10000114T69 E73T69-T71 PolarHBondContact O-N 2.84Å; T69-T71 PolarHBondContact OG1-OG1 2.87Å; T71-E73 PolarHBondContact O-N 3.07Å
72D80.8Confident86Confident39 Ų3948.7 Ų48.721%0.20927%0.265CS..  trans-58.4120.6-177.4-103.644.1000111.9R68 T69 V74R68-D72 IonicContact CZ-OD2 3.6Å; R68-D72 IonicContact NE-OD2 2.71Å; R68-D72 PolarHBondContact NE-OD2 3.37Å; R68-D72 IonicContact NH2-OD2 2.6Å; R68-D72 PolarHBondContact NH2-OD2 2.68Å; T69-D72 PolarHBondContact O-N 3.02Å; D72-V74 PolarHBondContact O-N 3.18Å
73E89.4Confident85.4Confident76 Ų7654.6 Ų54.636%0.35530%0.295SS..  trans-76.4119.3174.5-69.7-162.8-175.700111.8T71 T106 F131 D132 M133T71-E73 PolarHBondContact O-N 3.07Å; E73-T106 WeakPolarHBondContact CA-OG1 3.1Å; E73-T106 HydrophobicContact CG-CG2 4.29Å; E73-F131 HydrophobicContact CB-CD1 3.75Å; E73-F131 HydrophobicContact CB-CE1 4.3Å; E73-D132 PolarHBondContact O-N 3.04Å; E73-M133 PolarHBondContact O-N 3.05Å; E73-M133 VanDerWaalsContact O-N 3.1Å
74V91.8Very high85.2Confident2 Ų257.5 Ų57.51%0.01231%0.309CS..EExtended strand (participates in β ladder)trans-112117.1-177.4-178.30000110.8D72 N104 V105 T106 E107 M133 L135 I177D72-V74 PolarHBondContact O-N 3.18Å; V74-N104 WeakPolarHBondContact CB-O 3.28Å; V74-N104 WeakPolarHBondContact CG2-O 3.48Å; V74-V105 HydrophobicContact CG1-CG2 4.47Å; V74-T106 PolarHBondContact N-OG1 3.47Å; V74-T106 VanDerWaalsContact N-OG1 3.14Å; V74-T106 PolarHBondContact O-N 2.87Å; V74-E107 PolarHBondContact O-N 3.16Å; V74-M133 HydrophobicContact CB-CB 4.34Å; V74-M133 HydrophobicContact CG1-CB 4.2Å; V74-M133 HydrophobicContact CG2-CB 3.95Å; V74-L135 HydrophobicContact CG1-CD1 3.72Å; V74-L135 HydrophobicContact CG1-CG 3.89Å; V74-I177 HydrophobicContact CG2-CD1 4.41Å
75C92.8Very high85.2Confident0 Ų057.2 Ų57.20%031%0.306CS..EExtended strand (participates in β ladder)trans-98.2128.2173.1165.80000111.3E107 F131 M133 F134 L135C75-E107 CarbonylContact C-O 3.59Å; C75-E107 WeakPolarHBondContact CA-O 2.93Å; C75-F131 HydrophobicContact CB-CB 4.05Å; C75-F131 HydrophobicContact CB-CD1 3.59Å; C75-F131 HydrophobicContact CB-CD2 3.8Å; C75-F131 HydrophobicContact CB-CE1 4Å; C75-F131 HydrophobicContact CB-CE2 4.18Å; C75-F131 HydrophobicContact CB-CG 3.51Å; C75-F131 HydrophobicContact CB-CZ 4.29Å; C75-M133 PolarHBondContact N-O 3.27Å; C75-F134 HydrophobicContact CB-CD1 3.68Å; C75-F134 HydrophobicContact CB-CE1 3.78Å; C75-F134 CarbonylContact O-C 3.59Å; C75-F134 WeakPolarHBondContact O-CA 3.36Å; C75-L135 PolarHBondContact O-N 3.26Å
76L93.8Very high85Confident0 Ų056.4 Ų56.40%031%0.305CS..EExtended strand (participates in β ladder)trans-106.6116.9175.4176.566.4000111.9T78 L97 V105 E107 V108 I109 L135 L164L76-T78 HydrophobicContact CD2-CG2 3.92Å; L76-T78 HydrophobicContact CG-CG2 3.93Å; L76-L97 HydrophobicContact CD2-CD1 4.03Å; L76-L97 HydrophobicContact CD2-CD2 4.45Å; L76-V105 HydrophobicContact CB-CG1 3.78Å; L76-E107 PolarHBondContact N-O 3.2Å; L76-V108 HydrophobicContact CB-CG2 4.46Å; L76-V108 HydrophobicContact CD2-CG2 4.49Å; L76-V108 CarbonylContact O-C 3.55Å; L76-V108 WeakPolarHBondContact O-CA 3.43Å; L76-I109 PolarHBondContact O-N 2.88Å; L76-L135 HydrophobicContact CB-CB 4.46Å; L76-L135 HydrophobicContact CD1-CB 3.58Å; L76-L164 HydrophobicContact CD1-CD2 4.27Å; L76-L164 HydrophobicContact CD2-CD1 4.43Å; L76-L164 HydrophobicContact CD2-CD2 4.1Å
77F94.3Very high85.2Confident2 Ų258.9 Ų58.91%0.00931%0.312CS..EExtended strand (participates in β ladder)trans-81.5117.9170.2-61.8-60.4000111.8I109 L114 L127 F134 L135 S136 D137 L144 I148 F152 P159F77-I109 WeakPolarHBondContact CA-O 3.27Å; F77-I109 HydrophobicContact CD1-CB 3.93Å; F77-I109 HydrophobicContact CD1-CG2 4.2Å; F77-I109 HydrophobicContact CE1-CB 4.05Å; F77-I109 HydrophobicContact CE1-CD1 4.22Å; F77-I109 HydrophobicContact CE1-CG2 4.2Å; F77-L114 HydrophobicContact CD1-CD1 4.32Å; F77-L114 HydrophobicContact CD1-CD2 4.12Å; F77-L114 HydrophobicContact CE1-CD1 3.72Å; F77-L114 HydrophobicContact CE1-CD2 4.23Å; F77-L114 HydrophobicContact CZ-CD1 4.36Å; F77-L127 HydrophobicContact CE1-CD2 4.32Å; F77-L127 HydrophobicContact CZ-CD2 4.13Å; F77-F134 HydrophobicContact CE2-CB 3.99Å; F77-F134 AromaticContact CE2-CD1 3.46Å; F77-F134 HydrophobicContact CE2-CD1 3.46Å; F77-F134 VanDerWaalsContact CE2-CD1 3.46Å; F77-F134 HydrophobicContact CE2-CE1 4.33Å; F77-F134 HydrophobicContact CE2-CG 4.02Å; F77-F134 AromaticContact CZ-CD1 3.6Å; F77-F134 HydrophobicContact CZ-CD1 3.6Å; F77-F134 HydrophobicContact CZ-CE1 4.03Å; F77-L135 WeakPolarHBondContact CD2-O 3.14Å; F77-L135 PolarHBondContact N-O 3.17Å; F77-S136 CarbonylContact O-C 3.41Å; F77-S136 WeakPolarHBondContact O-CA 3.19Å; F77-D137 PolarHBondContact O-N 2.74Å; F77-L144 HydrophobicContact CB-CD1 4Å; F77-L144 HydrophobicContact CB-CD2 4.16Å; F77-L144 HydrophobicContact CD2-CD1 3.76Å; F77-L144 HydrophobicContact CD2-CD2 4.42Å; F77-L144 HydrophobicContact CG-CD1 4.11Å; F77-L144 HydrophobicContact CG-CD2 4.16Å; F77-I148 HydrophobicContact CD2-CD1 4.14Å; F77-I148 HydrophobicContact CE2-CD1 3.58Å; F77-I148 HydrophobicContact CZ-CD1 3.89Å; F77-F152 HydrophobicContact CZ-CE1 4.47Å; F77-P159 HydrophobicContact CD2-CB 4.1Å; F77-P159 HydrophobicContact CD2-CG 4.01Å; F77-P159 HydrophobicContact CE2-CB 4.33Å; F77-P159 HydrophobicContact CE2-CG 3.82Å
78T92.8Very high85.5Confident0 Ų063 Ų630%033%0.33CS..EExtended strand (participates in β ladder)trans-107.5160.1-178.655.70000112.5L76 Y93 V108 I109 Y111 L164L76-T78 HydrophobicContact CD2-CG2 3.92Å; L76-T78 HydrophobicContact CG-CG2 3.93Å; T78-Y93 HydrophobicContact CG2-CD1 3.91Å; T78-Y93 HydrophobicContact CG2-CD2 3.83Å; T78-Y93 HydrophobicContact CG2-CE1 4.25Å; T78-Y93 HydrophobicContact CG2-CE2 4.21Å; T78-Y93 HydrophobicContact CG2-CG 3.7Å; T78-V108 HydrophobicContact CG2-CG1 3.45Å; T78-V108 VanDerWaalsContact CG2-CG1 3.45Å; T78-I109 PolarHBondContact N-O 3.13Å; T78-Y111 PolarHBondContact O-N 3.45Å; T78-L164 HydrophobicContact CG2-CD1 3.84Å
79R91.1Very high85.9Confident113 Ų11359.4 Ų59.443%0.42632%0.317SS..PPolyproline II helixtrans-78.1139.3169.3-172-167.6159.8142.3-10109.1E81 Y93 V140R79-E81 PolarHBondContact O-N 3.5Å; R79-Y93 WeakPolarHBondContact O-CE2 3.39Å; R79-V140 HydrophobicContact CB-CG2 3.63Å; R79-V140 HydrophobicContact CG-CG2 4.23Å
80D87Confident86.6Confident21 Ų2157.9 Ų57.911%0.11231%0.305CS..PPolyproline II helixtrans-66.7131.1167.8-44.3-72.4000110.9P110 Y111 K112D80-P110 VanDerWaalsContact OD1-CB 3.27Å; D80-P110 WeakPolarHBondContact OD1-CB 3.42Å; D80-Y111 PolarHBondContact OD1-N 3.19Å; D80-Y111 WeakPolarHBondContact OD2-CB 3.47Å; D80-K112 HydrophobicContact CB-CD 3.85Å; D80-K112 HydrophobicContact CB-CG 4.16Å; D80-K112 VanDerWaalsContact CG-CG 3.43Å; D80-K112 VanDerWaalsContact CG-N 3.28Å; D80-K112 VanDerWaalsContact OD1-CB 3.31Å; D80-K112 WeakPolarHBondContact OD1-CB 3.13Å; D80-K112 WeakPolarHBondContact OD1-CG 3.38Å; D80-K112 PolarHBondContact OD1-N 3.12Å; D80-K112 WeakPolarHBondContact OD2-CG 3.49Å; D80-K112 PolarHBondContact OD2-N 3.11Å
81E85.5Confident87.6Confident50 Ų5059.1 Ų59.123%0.23430%0.298CS..PPolyproline II helixtrans-80.6140.4166.7-64.1-54144.200109.3R79 N83 M84 Y93 R139R79-E81 PolarHBondContact O-N 3.5Å; E81-N83 VanDerWaalsContact C-N 3.31Å; E81-N83 PolarHBondContact O-N 2.93Å; E81-M84 PolarHBondContact O-N 3.46Å; E81-Y93 PolarHBondContact OE1-OH 3.21Å; E81-R139 IonicContact OE1-NH1 2.69Å; E81-R139 IonicContact OE1-NH2 3.8Å
82P76.1Confident88.2Confident96 Ų9657.6 Ų57.662%0.62328%0.282SS*.THydrogen-bonded Turntrans-64.8-33-163.521.8-32.5000113.6
83N76.9Confident88.7Confident157 Ų15756.1 Ų56.184%0.8427%0.273SS*.THydrogen-bonded Turntrans-98.212-172.9-61.1-5.8000113.9E81E81-N83 VanDerWaalsContact C-N 3.31Å; E81-N83 PolarHBondContact O-N 2.93Å
84M85.4Confident88.7Confident73 Ų7357 Ų5736%0.3628%0.276SS..SBendtrans-122.9150.9-175.2-69.9-176.5-178.800113.1E81 Q88 F92 K112E81-M84 PolarHBondContact O-N 3.46Å; M84-Q88 HydrophobicContact CB-CB 4.03Å; M84-Q88 HydrophobicContact CG-CB 4.35Å; M84-F92 HydrophobicContact SD-CB 4.36Å; M84-K112 PolarHBondContact O-NZ 3.09Å; M84-K112 VanDerWaalsContact O-NZ 3.17Å
85T88.8Confident88.7Confident61 Ų6163.2 Ų63.237%0.37430%0.303SS..  trans-69.5163.4166.3730000110.7D87 Q88 T89T85-D87 VanDerWaalsContact C-N 3.32Å; T85-D87 PolarHBondContact O-N 3.42Å; T85-Q88 PolarHBondContact O-N 2.84Å; T85-Q88 WeakPolarHBondContact OG1-CB 3.38Å; T85-Q88 VanDerWaalsContact OG1-CG 3.27Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.42Å; T85-Q88 PolarHBondContact OG1-N 3.21Å; T85-T89 WeakPolarHBondContact O-CB 3.32Å; T85-T89 PolarHBondContact O-N 2.95Å; T85-T89 PolarHBondContact O-OG1 2.9Å
86P85.9Confident88.5Confident36 Ų3664.6 Ų64.623%0.23431%0.31CS..Hα-helixtrans-56.3-44.8174.8-24.635.5000112.2Q88 T89 Q90 P110 K112 M113P86-Q88 PolarHBondContact O-N 3.32Å; P86-T89 WeakPolarHBondContact O-CB 3.49Å; P86-T89 PolarHBondContact O-N 3.26Å; P86-T89 VanDerWaalsContact O-N 3.17Å; P86-Q90 PolarHBondContact O-N 2.83Å; P86-P110 HydrophobicContact CB-CG 4.48Å; P86-P110 WeakPolarHBondContact O-CG 3.35Å; P86-K112 HydrophobicContact CG-CB 4.07Å; P86-K112 HydrophobicContact CG-CD 4.41Å; P86-M113 HydrophobicContact CB-CB 4.32Å
87D88.3Confident88.4Confident83 Ų8365 Ų6544%0.44431%0.312SS..Hα-helixtrans-66.3-39.7-178.7-42.7-55.2000112.4T85 T89 Q90 R91T85-D87 VanDerWaalsContact C-N 3.32Å; T85-D87 PolarHBondContact O-N 3.42Å; D87-T89 VanDerWaalsContact C-N 3.35Å; D87-Q90 PolarHBondContact O-N 2.76Å; D87-R91 WeakPolarHBondContact O-CB 3.35Å; D87-R91 VanDerWaalsContact O-CG 3.24Å; D87-R91 WeakPolarHBondContact O-CG 3.41Å; D87-R91 PolarHBondContact O-N 2.86Å
88Q89.8Confident88.1Confident98 Ų9868.4 Ų68.446%0.45834%0.341SS..Hα-helixtrans-63.6-42.3173.3-73.3169.2-11.200111.1M84 T85 P86 R91 F92M84-Q88 HydrophobicContact CB-CB 4.03Å; M84-Q88 HydrophobicContact CG-CB 4.35Å; T85-Q88 PolarHBondContact O-N 2.84Å; T85-Q88 WeakPolarHBondContact OG1-CB 3.38Å; T85-Q88 VanDerWaalsContact OG1-CG 3.27Å; T85-Q88 WeakPolarHBondContact OG1-CG 3.42Å; T85-Q88 PolarHBondContact OG1-N 3.21Å; P86-Q88 PolarHBondContact O-N 3.32Å; Q88-R91 PolarHBondContact O-N 3.14Å; Q88-F92 WeakPolarHBondContact O-CB 3.39Å; Q88-F92 PolarHBondContact O-N 2.76Å
89T89.9Confident88Confident0 Ų074 Ų740%037%0.366CS..Hα-helixtrans-61.6-45.4176-56.50000110.7T85 P86 D87 R91 F92 Y93 P110T85-T89 WeakPolarHBondContact O-CB 3.32Å; T85-T89 PolarHBondContact O-N 2.95Å; T85-T89 PolarHBondContact O-OG1 2.9Å; P86-T89 WeakPolarHBondContact O-CB 3.49Å; P86-T89 PolarHBondContact O-N 3.26Å; P86-T89 VanDerWaalsContact O-N 3.17Å; D87-T89 VanDerWaalsContact C-N 3.35Å; T89-R91 PolarHBondContact O-N 2.8Å; T89-F92 PolarHBondContact O-N 2.87Å; T89-Y93 HydrophobicContact CG2-CD2 3.77Å; T89-Y93 HydrophobicContact CG2-CE2 3.72Å; T89-Y93 VanDerWaalsContact O-CD2 3.3Å; T89-Y93 WeakPolarHBondContact O-CD2 3.46Å; T89-Y93 PolarHBondContact O-N 2.73Å; T89-P110 HydrophobicContact CG2-CB 4.17Å; T89-P110 HydrophobicContact CG2-CG 4.15Å
90Q90.5Very high87.8Confident34 Ų3475 Ų7516%0.15937%0.37CS..Hα-helixtrans-59.5-47.6176-174.3-173.571.800111.3P86 D87 F92 Y93 K94 V108 P110P86-Q90 PolarHBondContact O-N 2.83Å; D87-Q90 PolarHBondContact O-N 2.76Å; Q90-F92 PolarHBondContact O-N 3.37Å; Q90-Y93 PolarHBondContact O-N 3.3Å; Q90-K94 HydrophobicContact CG-CD 4.12Å; Q90-K94 WeakPolarHBondContact O-CB 3.43Å; Q90-K94 WeakPolarHBondContact O-CG 3.47Å; Q90-K94 PolarHBondContact O-N 2.93Å; Q90-V108 HydrophobicContact CG-CB 4.22Å; Q90-V108 VanDerWaalsContact CG-O 3.31Å; Q90-V108 WeakPolarHBondContact CG-O 3.4Å; Q90-V108 PolarHBondContact NE2-O 2.81Å; Q90-P110 HydrophobicContact CB-CG 4.24Å
91R90.9Very high87.6Confident184 Ų18476.5 Ų76.569%0.69439%0.391SS*.Hα-helixtrans-61.5-42.3177.4-70.2169.9-170.6-1572.8112.1D87 Q88 T89 K94 K95D87-R91 WeakPolarHBondContact O-CB 3.35Å; D87-R91 VanDerWaalsContact O-CG 3.24Å; D87-R91 WeakPolarHBondContact O-CG 3.41Å; D87-R91 PolarHBondContact O-N 2.86Å; Q88-R91 PolarHBondContact O-N 3.14Å; T89-R91 PolarHBondContact O-N 2.8Å; R91-K94 PolarHBondContact O-N 2.91Å; R91-K95 WeakPolarHBondContact O-CB 3.36Å; R91-K95 PolarHBondContact O-N 3.22Å
92F91Very high87.5Confident85 Ų8575 Ų7537%0.37339%0.385SS..Hα-helixtrans-59.1-50.5176.3172.6-99.7000111.7M84 Q88 T89 Q90 K95 L96M84-F92 HydrophobicContact SD-CB 4.36Å; Q88-F92 WeakPolarHBondContact O-CB 3.39Å; Q88-F92 PolarHBondContact O-N 2.76Å; T89-F92 PolarHBondContact O-N 2.87Å; Q90-F92 PolarHBondContact O-N 3.37Å; F92-K95 PolarHBondContact O-N 3.22Å; F92-L96 HydrophobicContact CE1-CD1 4.08Å; F92-L96 HydrophobicContact CZ-CD1 4.06Å; F92-L96 WeakPolarHBondContact O-CB 3.38Å; F92-L96 PolarHBondContact O-N 3.23Å
93Y90.1Very high87.4Confident8 Ų879.4 Ų79.43%0.03139%0.394CS..Hα-helixtrans-68.8-35.3178.8-79.3-74.1000112.7T78 R79 E81 T89 Q90 K95 L96 L97 R139 L164T78-Y93 HydrophobicContact CG2-CD1 3.91Å; T78-Y93 HydrophobicContact CG2-CD2 3.83Å; T78-Y93 HydrophobicContact CG2-CE1 4.25Å; T78-Y93 HydrophobicContact CG2-CE2 4.21Å; T78-Y93 HydrophobicContact CG2-CG 3.7Å; R79-Y93 WeakPolarHBondContact O-CE2 3.39Å; E81-Y93 PolarHBondContact OE1-OH 3.21Å; T89-Y93 HydrophobicContact CG2-CD2 3.77Å; T89-Y93 HydrophobicContact CG2-CE2 3.72Å; T89-Y93 VanDerWaalsContact O-CD2 3.3Å; T89-Y93 WeakPolarHBondContact O-CD2 3.46Å; T89-Y93 PolarHBondContact O-N 2.73Å; Q90-Y93 PolarHBondContact O-N 3.3Å; Y93-K95 VanDerWaalsContact C-N 3.34Å; Y93-K95 PolarHBondContact O-N 2.82Å; Y93-L96 PolarHBondContact O-N 3.47Å; Y93-L97 WeakPolarHBondContact O-CB 3.3Å; Y93-L97 VanDerWaalsContact O-CG 3.25Å; Y93-L97 WeakPolarHBondContact O-CG 3.36Å; Y93-L97 PolarHBondContact O-N 3.43Å; Y93-R139 PolarHBondContact OH-NH2 3.25Å; Y93-R139 VanDerWaalsContact OH-NH2 3.12Å; Y93-L164 HydrophobicContact CD1-CD1 4.18Å; Y93-L164 HydrophobicContact CE1-CD1 3.79Å
94K90.9Very high87.6Confident94 Ų9475.3 Ų75.341%0.40937%0.372SS..Hα-helixtrans-59.9-43171.2-76.7178.1175.1175.90111.5Q90 R91 L97 A98 V108Q90-K94 HydrophobicContact CG-CD 4.12Å; Q90-K94 WeakPolarHBondContact O-CB 3.43Å; Q90-K94 WeakPolarHBondContact O-CG 3.47Å; Q90-K94 PolarHBondContact O-N 2.93Å; R91-K94 PolarHBondContact O-N 2.91Å; K94-L97 PolarHBondContact O-N 3Å; K94-A98 PolarHBondContact O-N 2.8Å; K94-A98 VanDerWaalsContact O-N 3.15Å; K94-V108 HydrophobicContact CG-CG2 4.07Å
95K91.5Very high87.7Confident132 Ų13273 Ų7357%0.57436%0.362SS*.Hα-helixtrans-63.8-46.5174.3-164.6-172.1-174-118.30112R91 F92 Y93 L97 A98 E99R91-K95 WeakPolarHBondContact O-CB 3.36Å; R91-K95 PolarHBondContact O-N 3.22Å; F92-K95 PolarHBondContact O-N 3.22Å; Y93-K95 VanDerWaalsContact C-N 3.34Å; Y93-K95 PolarHBondContact O-N 2.82Å; K95-L97 VanDerWaalsContact C-N 3.31Å; K95-L97 PolarHBondContact O-N 2.98Å; K95-A98 WeakPolarHBondContact O-CB 3.47Å; K95-A98 PolarHBondContact O-N 3.44Å; K95-E99 VanDerWaalsContact CE-OE1 3.25Å; K95-E99 WeakPolarHBondContact CE-OE1 3.49Å; K95-E99 HydrophobicContact CG-CG 4.48Å; K95-E99 IonicContact NZ-OE1 2.85Å; K95-E99 PolarHBondContact NZ-OE1 3.43Å; K95-E99 WeakPolarHBondContact O-CG 3.5Å; K95-E99 PolarHBondContact O-N 3.02Å
96L88.8Confident87.7Confident30 Ų3073.6 Ų73.616%0.15737%0.366CS..Hα-helixtrans-61.4-38178.9-176.7152000112.2F92 Y93 R100 L169F92-L96 HydrophobicContact CE1-CD1 4.08Å; F92-L96 HydrophobicContact CZ-CD1 4.06Å; F92-L96 WeakPolarHBondContact O-CB 3.38Å; F92-L96 PolarHBondContact O-N 3.23Å; Y93-L96 PolarHBondContact O-N 3.47Å; L96-R100 HydrophobicContact CD2-CG 4.36Å; L96-R100 WeakPolarHBondContact O-CB 3.29Å; L96-R100 WeakPolarHBondContact O-CG 3.49Å; L96-R100 PolarHBondContact O-N 3.4Å; L96-R100 VanDerWaalsContact O-N 3.08Å; L96-L169 HydrophobicContact CD2-CD2 3.77Å
97L90.1Very high87.9Confident9 Ų974.4 Ų74.45%0.04737%0.367CS..Hα-helixtrans-65.6-43174.7-72168.5000111.5L76 Y93 K94 K95 R100 G101 V102 V105 V108 L169 I173L76-L97 HydrophobicContact CD2-CD1 4.03Å; L76-L97 HydrophobicContact CD2-CD2 4.45Å; Y93-L97 WeakPolarHBondContact O-CB 3.3Å; Y93-L97 VanDerWaalsContact O-CG 3.25Å; Y93-L97 WeakPolarHBondContact O-CG 3.36Å; Y93-L97 PolarHBondContact O-N 3.43Å; K94-L97 PolarHBondContact O-N 3Å; K95-L97 VanDerWaalsContact C-N 3.31Å; K95-L97 PolarHBondContact O-N 2.98Å; L97-R100 CarbonylContact O-C 3.57Å; L97-R100 PolarHBondContact O-N 2.92Å; L97-G101 PolarHBondContact O-N 2.85Å; L97-G101 VanDerWaalsContact O-N 3.09Å; L97-V102 HydrophobicContact CB-CB 4.21Å; L97-V102 HydrophobicContact CD2-CB 3.88Å; L97-V102 HydrophobicContact CD2-CG1 4.02Å; L97-V102 HydrophobicContact CD2-CG2 4.03Å; L97-V102 PolarHBondContact O-N 3.35Å; L97-V105 HydrophobicContact CD1-CB 4.17Å; L97-V105 HydrophobicContact CD1-CG1 4.04Å; L97-V105 HydrophobicContact CD1-CG2 4.43Å; L97-V108 HydrophobicContact CD1-CG2 3.8Å; L97-L169 HydrophobicContact CD2-CD2 4.36Å; L97-I173 HydrophobicContact CD2-CD1 3.91Å
98A89.6Confident88.1Confident73 Ų7370.5 Ų70.560%0.60335%0.346SS*.Hα-helixtrans-63.3-46.117500000112.4K94 K95 R100 G101K94-A98 PolarHBondContact O-N 2.8Å; K94-A98 VanDerWaalsContact O-N 3.15Å; K95-A98 WeakPolarHBondContact O-CB 3.47Å; K95-A98 PolarHBondContact O-N 3.44Å; A98-R100 PolarHBondContact O-N 3.2Å; A98-G101 PolarHBondContact O-N 2.99Å
99E90.1Very high88.3Confident116 Ų11665.8 Ų65.854%0.54232%0.324SS..Hα-helixtrans-60-27.2174.8-73.2172.7-174.200113K95K95-E99 VanDerWaalsContact CE-OE1 3.25Å; K95-E99 WeakPolarHBondContact CE-OE1 3.49Å; K95-E99 HydrophobicContact CG-CG 4.48Å; K95-E99 IonicContact NZ-OE1 2.85Å; K95-E99 PolarHBondContact NZ-OE1 3.43Å; K95-E99 WeakPolarHBondContact O-CG 3.5Å; K95-E99 PolarHBondContact O-N 3.02Å
100R87Confident88.5Confident135 Ų13565.8 Ų65.851%0.50932%0.324SS..THydrogen-bonded Turntrans-93.30.2175.7-64.5-66.2-177-137.3-6.3113.6L96 L97 A98 V102 L169 A170L96-R100 HydrophobicContact CD2-CG 4.36Å; L96-R100 WeakPolarHBondContact O-CB 3.29Å; L96-R100 WeakPolarHBondContact O-CG 3.49Å; L96-R100 PolarHBondContact O-N 3.4Å; L96-R100 VanDerWaalsContact O-N 3.08Å; L97-R100 CarbonylContact O-C 3.57Å; L97-R100 PolarHBondContact O-N 2.92Å; A98-R100 PolarHBondContact O-N 3.2Å; R100-V102 HydrophobicContact CB-CG2 4.22Å; R100-L169 HydrophobicContact CG-CD2 4.43Å; R100-A170 WeakPolarHBondContact O-CB 3.18Å
101G82.7Confident88.5Confident53 Ų5366.2 Ų66.255%0.54632%0.324SS..THydrogen-bonded Turntrans76.319.3178.600000115.4L97 A98L97-G101 PolarHBondContact O-N 2.85Å; L97-G101 VanDerWaalsContact O-N 3.09Å; A98-G101 PolarHBondContact O-N 2.99Å
102V83.2Confident88.5Confident17 Ų1761.2 Ų61.210%0.10331%0.308CS..  trans-87.2111.5-178.8-1720000110.2L97 R100 V105 A170 I173L97-V102 HydrophobicContact CB-CB 4.21Å; L97-V102 HydrophobicContact CD2-CB 3.88Å; L97-V102 HydrophobicContact CD2-CG1 4.02Å; L97-V102 HydrophobicContact CD2-CG2 4.03Å; L97-V102 PolarHBondContact O-N 3.35Å; R100-V102 HydrophobicContact CB-CG2 4.22Å; V102-V105 HydrophobicContact CG1-CG2 3.95Å; V102-A170 HydrophobicContact CG2-CB 3.94Å; V102-I173 HydrophobicContact CG1-CB 4.43Å; V102-I173 HydrophobicContact CG1-CD1 3.9Å; V102-I173 HydrophobicContact CG1-CG2 3.9Å; V102-I173 HydrophobicContact CG2-CD1 4.17Å
103K74.9Confident88.6Confident189 Ų18957.9 Ų57.982%0.82229%0.294SS*.  trans-96.8-30.8-178.8-61.6-178.8-178.3179.10113.7V105K103-V105 PolarHBondContact O-N 3.04Å
104N81Confident88.7Confident71 Ų7157.8 Ų57.838%0.3829%0.294SS..  trans-82.938.2-169.2-4776.7000114.3V74 I177V74-N104 WeakPolarHBondContact CB-O 3.28Å; V74-N104 WeakPolarHBondContact CG2-O 3.48Å; N104-I177 HydrophobicContact CB-CD1 3.6Å
105V86.7Confident88.6Confident24 Ų2459.3 Ų59.315%0.14530%0.3CS..  trans-130.4105.4176.9-179.70000109.5V74 L76 L97 V102 K103 V108V74-V105 HydrophobicContact CG1-CG2 4.47Å; L76-V105 HydrophobicContact CB-CG1 3.78Å; L97-V105 HydrophobicContact CD1-CB 4.17Å; L97-V105 HydrophobicContact CD1-CG1 4.04Å; L97-V105 HydrophobicContact CD1-CG2 4.43Å; V102-V105 HydrophobicContact CG1-CG2 3.95Å; K103-V105 PolarHBondContact O-N 3.04Å; V105-V108 HydrophobicContact CG1-CG2 4.05Å
106T89.2Confident88.6Confident75 Ų7557.6 Ų57.646%0.4630%0.301SS..  trans-70.8-51.6-175.8-44.40000111.7E73 V74 F131E73-T106 WeakPolarHBondContact CA-OG1 3.1Å; E73-T106 HydrophobicContact CG-CG2 4.29Å; V74-T106 PolarHBondContact N-OG1 3.47Å; V74-T106 VanDerWaalsContact N-OG1 3.14Å; V74-T106 PolarHBondContact O-N 2.87Å; T106-F131 HydrophobicContact CG2-CE1 4.31Å
107E90.1Very high88.7Confident52 Ų5261 Ų6124%0.24332%0.316CS..EExtended strand (participates in β ladder)trans-131.8147.1-179.2-163.5173.2141.900112.3V74 C75 L76 I109 F131V74-E107 PolarHBondContact O-N 3.16Å; C75-E107 CarbonylContact C-O 3.59Å; C75-E107 WeakPolarHBondContact CA-O 2.93Å; L76-E107 PolarHBondContact N-O 3.2Å; E107-I109 HydrophobicContact CG-CG1 4.1Å; E107-I109 WeakPolarHBondContact OE1-CG1 3.25Å; E107-F131 HydrophobicContact CB-CE1 3.74Å; E107-F131 HydrophobicContact CB-CZ 3.49Å; E107-F131 VanDerWaalsContact CB-CZ 3.49Å; E107-F131 HydrophobicContact CG-CZ 4.31Å; E107-F131 WeakPolarHBondContact OE2-CZ 3.41Å
108V93.1Very high88.7Confident1 Ų162.5 Ų62.51%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-118.8121174.3-1790000107.8L76 T78 Q90 K94 L97 V105L76-V108 HydrophobicContact CB-CG2 4.46Å; L76-V108 HydrophobicContact CD2-CG2 4.49Å; L76-V108 CarbonylContact O-C 3.55Å; L76-V108 WeakPolarHBondContact O-CA 3.43Å; T78-V108 HydrophobicContact CG2-CG1 3.45Å; T78-V108 VanDerWaalsContact CG2-CG1 3.45Å; Q90-V108 HydrophobicContact CG-CB 4.22Å; Q90-V108 VanDerWaalsContact CG-O 3.31Å; Q90-V108 WeakPolarHBondContact CG-O 3.4Å; Q90-V108 PolarHBondContact NE2-O 2.81Å; K94-V108 HydrophobicContact CG-CG2 4.07Å; L97-V108 HydrophobicContact CD1-CG2 3.8Å; V105-V108 HydrophobicContact CG1-CG2 4.05Å
109I93.1Very high88.7Confident0 Ų066.7 Ų66.70%033%0.326CS..EExtended strand (participates in β ladder)trans-116.3111.1-177-59.1-176.6000109.4L76 F77 T78 E107 M113 L114 Y118 L127L76-I109 PolarHBondContact O-N 2.88Å; F77-I109 WeakPolarHBondContact CA-O 3.27Å; F77-I109 HydrophobicContact CD1-CB 3.93Å; F77-I109 HydrophobicContact CD1-CG2 4.2Å; F77-I109 HydrophobicContact CE1-CB 4.05Å; F77-I109 HydrophobicContact CE1-CD1 4.22Å; F77-I109 HydrophobicContact CE1-CG2 4.2Å; T78-I109 PolarHBondContact N-O 3.13Å; E107-I109 HydrophobicContact CG-CG1 4.1Å; E107-I109 WeakPolarHBondContact OE1-CG1 3.25Å; I109-M113 HydrophobicContact CG2-CB 4.43Å; I109-M113 HydrophobicContact CG2-CG 4.29Å; I109-M113 HydrophobicContact CG2-SD 4.26Å; I109-L114 HydrophobicContact CG2-CB 4.2Å; I109-Y118 HydrophobicContact CD1-CE2 4.17Å; I109-Y118 HydrophobicContact CG2-CE2 4.33Å; I109-L127 HydrophobicContact CD1-CD1 3.58Å; I109-L127 HydrophobicContact CD1-CD2 4.46Å
110P93.7Very high88.9Confident0 Ų064.6 Ų64.60%032%0.322CS..EExtended strand (participates in β ladder)trans-65.3151.5172.3-18.931.3000112.4D80 P86 T89 Q90 K112 M113 L114D80-P110 VanDerWaalsContact OD1-CB 3.27Å; D80-P110 WeakPolarHBondContact OD1-CB 3.42Å; P86-P110 HydrophobicContact CB-CG 4.48Å; P86-P110 WeakPolarHBondContact O-CG 3.35Å; T89-P110 HydrophobicContact CG2-CB 4.17Å; T89-P110 HydrophobicContact CG2-CG 4.15Å; Q90-P110 HydrophobicContact CB-CG 4.24Å; P110-K112 PolarHBondContact O-N 3.37Å; P110-M113 WeakPolarHBondContact O-CB 3.44Å; P110-M113 PolarHBondContact O-N 3.28Å; P110-L114 PolarHBondContact O-N 3Å
111Y91.6Very high89Confident43 Ų4363.8 Ų63.817%0.16932%0.323CS..Hα-helixtrans-66.3-30-177.5175.3-96.5000114.1T78 D80 L114 K115 V140 L143 L144 H147T78-Y111 PolarHBondContact O-N 3.45Å; D80-Y111 PolarHBondContact OD1-N 3.19Å; D80-Y111 WeakPolarHBondContact OD2-CB 3.47Å; Y111-L114 PolarHBondContact O-N 3.31Å; Y111-K115 WeakPolarHBondContact O-CB 3.44Å; Y111-K115 PolarHBondContact O-N 2.75Å; Y111-K115 VanDerWaalsContact O-N 3.11Å; Y111-V140 HydrophobicContact CD2-CG1 3.58Å; Y111-V140 HydrophobicContact CE2-CG1 4.31Å; Y111-V140 HydrophobicContact CG-CG1 4.06Å; Y111-L143 HydrophobicContact CE1-CD1 4.26Å; Y111-L143 HydrophobicContact CE2-CB 3.64Å; Y111-L143 HydrophobicContact CE2-CD1 4.26Å; Y111-L144 HydrophobicContact CD2-CD2 4.37Å; Y111-H147 AromaticContact CE2-ND1 3.77Å; Y111-H147 AromaticContact CZ-CE1 3.72Å; Y111-H147 AromaticContact CZ-ND1 3.97Å; Y111-H147 PolarHBondContact OH-CE1 2.99Å; Y111-H147 PolarHBondContact OH-ND1 2.7Å
112K91Very high89.5Confident78 Ų7866.8 Ų66.834%0.33932%0.322SS..Hα-helixtrans-58.7-49.6169.3-80.7162.6-173171.90111.2D80 M84 P86 P110 K115 T116D80-K112 HydrophobicContact CB-CD 3.85Å; D80-K112 HydrophobicContact CB-CG 4.16Å; D80-K112 VanDerWaalsContact CG-CG 3.43Å; D80-K112 VanDerWaalsContact CG-N 3.28Å; D80-K112 VanDerWaalsContact OD1-CB 3.31Å; D80-K112 WeakPolarHBondContact OD1-CB 3.13Å; D80-K112 WeakPolarHBondContact OD1-CG 3.38Å; D80-K112 PolarHBondContact OD1-N 3.12Å; D80-K112 WeakPolarHBondContact OD2-CG 3.49Å; D80-K112 PolarHBondContact OD2-N 3.11Å; M84-K112 PolarHBondContact O-NZ 3.09Å; M84-K112 VanDerWaalsContact O-NZ 3.17Å; P86-K112 HydrophobicContact CG-CB 4.07Å; P86-K112 HydrophobicContact CG-CD 4.41Å; P110-K112 PolarHBondContact O-N 3.37Å; K112-K115 WeakPolarHBondContact O-CB 3.21Å; K112-K115 PolarHBondContact O-N 3.1Å; K112-K115 VanDerWaalsContact O-N 3.13Å; K112-T116 PolarHBondContact O-N 3.35Å; K112-T116 VanDerWaalsContact O-N 3.12Å; K112-T116 PolarHBondContact O-OG1 2.86Å
113M91.8Very high89.9Confident16 Ų1666.9 Ų66.98%0.07933%0.325CS..Hα-helixtrans-62.1-44.4179.4179179.3-100.900111.4P86 I109 P110 K115 T116 E117 Y118P86-M113 HydrophobicContact CB-CB 4.32Å; I109-M113 HydrophobicContact CG2-CB 4.43Å; I109-M113 HydrophobicContact CG2-CG 4.29Å; I109-M113 HydrophobicContact CG2-SD 4.26Å; P110-M113 WeakPolarHBondContact O-CB 3.44Å; P110-M113 PolarHBondContact O-N 3.28Å; M113-K115 PolarHBondContact O-N 2.97Å; M113-T116 PolarHBondContact O-N 3.46Å; M113-T116 PolarHBondContact O-OG1 2.98Å; M113-E117 WeakPolarHBondContact CG-OE2 3.37Å; M113-E117 PolarHBondContact O-N 3.35Å; M113-Y118 HydrophobicContact CG-CE2 4.41Å
114L91.7Very high90.7Very high6 Ų659.6 Ų59.63%0.03129%0.293CS..Hα-helixtrans-57.6-34.7173.9-171.869.9000112.8F77 I109 P110 Y111 Y118 L127 L144 H147 I148F77-L114 HydrophobicContact CD1-CD1 4.32Å; F77-L114 HydrophobicContact CD1-CD2 4.12Å; F77-L114 HydrophobicContact CE1-CD1 3.72Å; F77-L114 HydrophobicContact CE1-CD2 4.23Å; F77-L114 HydrophobicContact CZ-CD1 4.36Å; I109-L114 HydrophobicContact CG2-CB 4.2Å; P110-L114 PolarHBondContact O-N 3Å; Y111-L114 PolarHBondContact O-N 3.31Å; L114-Y118 HydrophobicContact CD1-CD2 4.36Å; L114-Y118 HydrophobicContact CD1-CG 4.29Å; L114-L127 HydrophobicContact CD1-CD2 4.26Å; L114-L144 HydrophobicContact CD2-CD2 3.46Å; L114-L144 VanDerWaalsContact CD2-CD2 3.46Å; L114-H147 HydrophobicContact CD2-CB 4.31Å; L114-I148 HydrophobicContact CD1-CG1 4.5Å; L114-I148 HydrophobicContact CD2-CD1 4.45Å; L114-I148 HydrophobicContact CD2-CG1 4.05Å
115K89.6Confident91.1Very high126 Ų12663.6 Ų63.655%0.54830%0.303SS..Hα-helixtrans-78.3-30.3179.9-174.9178.5177.6-171.60113.4Y111 K112 M113Y111-K115 WeakPolarHBondContact O-CB 3.44Å; Y111-K115 PolarHBondContact O-N 2.75Å; Y111-K115 VanDerWaalsContact O-N 3.11Å; K112-K115 WeakPolarHBondContact O-CB 3.21Å; K112-K115 PolarHBondContact O-N 3.1Å; K112-K115 VanDerWaalsContact O-N 3.13Å; M113-K115 PolarHBondContact O-N 2.97Å
116T91.3Very high91.4Very high95 Ų9569.8 Ų69.858%0.58332%0.324SS*.Hα-helixtrans-89.5-59.1-179.147.80000112.1K112 M113K112-T116 PolarHBondContact O-N 3.35Å; K112-T116 VanDerWaalsContact O-N 3.12Å; K112-T116 PolarHBondContact O-OG1 2.86Å; M113-T116 PolarHBondContact O-N 3.46Å; M113-T116 PolarHBondContact O-OG1 2.98Å
117E90.9Very high91.5Very high101 Ų10166.5 Ų66.547%0.47230%0.303SS..THydrogen-bonded Turntrans-82.6-37.6-168.2-69.3164.6-148.500112.6M113 P120M113-E117 WeakPolarHBondContact CG-OE2 3.37Å; M113-E117 PolarHBondContact O-N 3.35Å; E117-P120 VanDerWaalsContact O-CD 3.3Å; E117-P120 WeakPolarHBondContact O-CD 3.48Å
118Y90.3Very high91.5Very high41 Ų4164.7 Ų64.716%0.16130%0.295CS..THydrogen-bonded Turntrans-97.116.5-177.3-61.1-86.8000113I109 M113 L114 A123 K124 L127I109-Y118 HydrophobicContact CD1-CE2 4.17Å; I109-Y118 HydrophobicContact CG2-CE2 4.33Å; M113-Y118 HydrophobicContact CG-CE2 4.41Å; L114-Y118 HydrophobicContact CD1-CD2 4.36Å; L114-Y118 HydrophobicContact CD1-CG 4.29Å; Y118-A123 HydrophobicContact CD1-CB 4.03Å; Y118-K124 WeakPolarHBondContact O-CE 3.17Å; Y118-K124 WeakPolarHBondContact O-CG 3.48Å; Y118-L127 HydrophobicContact CD1-CB 3.95Å; Y118-L127 HydrophobicContact CD1-CD1 4.44Å; Y118-L127 HydrophobicContact CD1-CD2 3.77Å; Y118-L127 HydrophobicContact CD1-CG 4.28Å; Y118-L127 HydrophobicContact CE1-CB 3.85Å; Y118-L127 HydrophobicContact CE1-CD1 3.81Å; Y118-L127 HydrophobicContact CE1-CD2 3.99Å; Y118-L127 HydrophobicContact CE1-CG 4.1Å; Y118-L127 HydrophobicContact CG-CD2 4.22Å
119K90.6Very high91.3Very high162 Ų16267.5 Ų67.570%0.70432%0.324SS*.  trans-61.6-47.2168.6-172.1179.2177.8-172.70113.8K124K119-K124 WeakPolarHBondContact O-CE 3.38Å; K119-K124 PolarHBondContact O-NZ 2.98Å
120P92.8Very high91.2Very high72 Ų7272.2 Ų72.247%0.46835%0.349SS..SBendtrans-67.7146.9-17926.4-33.1000112.2E117 E122 A123 K124E117-P120 VanDerWaalsContact O-CD 3.3Å; E117-P120 WeakPolarHBondContact O-CD 3.48Å; P120-E122 VanDerWaalsContact C-N 3.26Å; P120-E122 PolarHBondContact O-N 2.92Å; P120-A123 HydrophobicContact CG-CB 3.9Å; P120-A123 PolarHBondContact O-N 3.43Å; P120-K124 PolarHBondContact O-N 3.35Å
121F90.1Very high91.2Very high118 Ų11872.4 Ų72.452%0.51835%0.35SS..Hα-helixtrans-56.9-38.3-176.6-175.6-90.1000113.1K124 R125 H151F121-K124 PolarHBondContact O-N 2.78Å; F121-R125 HydrophobicContact CD1-CG 4.49Å; F121-R125 HydrophobicContact CE1-CG 4.38Å; F121-R125 PolarHBondContact O-N 2.93Å; F121-H151 AromaticContact CD2-NE2 3.43Å; F121-H151 WeakPolarHBondContact CD2-NE2 3.21Å; F121-H151 AromaticContact CE2-CE1 3.23Å; F121-H151 WeakPolarHBondContact CE2-CE1 3.41Å; F121-H151 AromaticContact CE2-NE2 3.02Å; F121-H151 WeakPolarHBondContact CE2-NE2 3.43Å; F121-H151 AromaticContact CZ-CE1 3.65Å; F121-H151 AromaticContact CZ-NE2 3.78Å
122E92.2Very high91Very high116 Ų11674.1 Ų74.154%0.54236%0.362SS..Hα-helixtrans-65.9-47.1179.8-165.8-174.717200112.2P120 K124 R125 R126P120-E122 VanDerWaalsContact C-N 3.26Å; P120-E122 PolarHBondContact O-N 2.92Å; E122-K124 VanDerWaalsContact C-N 3.26Å; E122-K124 PolarHBondContact O-N 2.87Å; E122-R125 WeakPolarHBondContact O-CA 3.4Å; E122-R125 PolarHBondContact O-N 3.31Å; E122-R126 WeakPolarHBondContact O-CG 3.3Å; E122-R126 PolarHBondContact O-N 2.93Å; E122-R126 IonicContact OE1-CZ 2.82Å; E122-R126 IonicContact OE1-NE 3.84Å; E122-R126 PolarHBondContact OE1-NE 3.25Å; E122-R126 IonicContact OE1-NH2 2.82Å; E122-R126 PolarHBondContact OE1-NH2 3.48Å; E122-R126 IonicContact OE2-NH2 3.2Å
123A92.3Very high90.9Very high19 Ų1970.9 Ų70.916%0.15735%0.348CS..Hα-helixtrans-58.8-37.4177.800000112.1Y118 P120 R125 R126 L127Y118-A123 HydrophobicContact CD1-CB 4.03Å; P120-A123 HydrophobicContact CG-CB 3.9Å; P120-A123 PolarHBondContact O-N 3.43Å; A123-R125 VanDerWaalsContact C-N 3.34Å; A123-R125 PolarHBondContact O-N 3.04Å; A123-R126 PolarHBondContact O-N 3.12Å; A123-L127 WeakPolarHBondContact O-CB 3.3Å; A123-L127 PolarHBondContact O-N 3.14Å
124K90.9Very high91Very high35 Ų3570.3 Ų70.315%0.15235%0.345CS..Hα-helixtrans-64.3-36.2174.2-61.4176-172.9-174.20112.9Y118 K119 P120 F121 E122 L128 H147Y118-K124 WeakPolarHBondContact O-CE 3.17Å; Y118-K124 WeakPolarHBondContact O-CG 3.48Å; K119-K124 WeakPolarHBondContact O-CE 3.38Å; K119-K124 PolarHBondContact O-NZ 2.98Å; P120-K124 PolarHBondContact O-N 3.35Å; F121-K124 PolarHBondContact O-N 2.78Å; E122-K124 VanDerWaalsContact C-N 3.26Å; E122-K124 PolarHBondContact O-N 2.87Å; K124-L128 WeakPolarHBondContact O-CG 3.37Å; K124-L128 PolarHBondContact O-N 3.02Å; K124-L128 VanDerWaalsContact O-N 3.14Å; K124-H147 WeakPolarHBondContact CE-O 3.24Å; K124-H147 PolarHBondContact NZ-O 3.41Å
125R91.2Very high91.1Very high156 Ų15670 Ų7059%0.58934%0.344SS*.Hα-helixtrans-74.8-35.9177-70.5-179.971-173.97.5111.9F121 E122 A123 L128 G129F121-R125 HydrophobicContact CD1-CG 4.49Å; F121-R125 HydrophobicContact CE1-CG 4.38Å; F121-R125 PolarHBondContact O-N 2.93Å; E122-R125 WeakPolarHBondContact O-CA 3.4Å; E122-R125 PolarHBondContact O-N 3.31Å; A123-R125 VanDerWaalsContact C-N 3.34Å; A123-R125 PolarHBondContact O-N 3.04Å; R125-L128 PolarHBondContact O-N 2.94Å; R125-G129 PolarHBondContact O-N 3.33Å; R125-G129 VanDerWaalsContact O-N 3.09Å
126R92.3Very high91.2Very high154 Ų15464 Ų6458%0.58132%0.318SS*.Hα-helixtrans-62.1-49.2170.1-65.5178-175.1-166.11.1110.6E122 A123 L128 G129 N130E122-R126 WeakPolarHBondContact O-CG 3.3Å; E122-R126 PolarHBondContact O-N 2.93Å; E122-R126 IonicContact OE1-CZ 2.82Å; E122-R126 IonicContact OE1-NE 3.84Å; E122-R126 PolarHBondContact OE1-NE 3.25Å; E122-R126 IonicContact OE1-NH2 2.82Å; E122-R126 PolarHBondContact OE1-NH2 3.48Å; E122-R126 IonicContact OE2-NH2 3.2Å; A123-R126 PolarHBondContact O-N 3.12Å; R126-L128 VanDerWaalsContact C-N 3.27Å; R126-L128 PolarHBondContact O-N 3.2Å; R126-G129 WeakPolarHBondContact O-CA 3.3Å; R126-G129 PolarHBondContact O-N 2.88Å; R126-N130 PolarHBondContact O-N 3.37Å; R126-N130 PolarHBondContact O-OD1 2.68Å; R126-N130 VanDerWaalsContact O-OD1 3.08Å
127L91.5Very high91.3Very high5 Ų559.7 Ų59.73%0.02629%0.291CS..Hα-helixtrans-55.7-39.6176.3-172.364.1000112.7F77 I109 L114 Y118 A123 G129 F131 F134 F152F77-L127 HydrophobicContact CE1-CD2 4.32Å; F77-L127 HydrophobicContact CZ-CD2 4.13Å; I109-L127 HydrophobicContact CD1-CD1 3.58Å; I109-L127 HydrophobicContact CD1-CD2 4.46Å; L114-L127 HydrophobicContact CD1-CD2 4.26Å; Y118-L127 HydrophobicContact CD1-CB 3.95Å; Y118-L127 HydrophobicContact CD1-CD1 4.44Å; Y118-L127 HydrophobicContact CD1-CD2 3.77Å; Y118-L127 HydrophobicContact CD1-CG 4.28Å; Y118-L127 HydrophobicContact CE1-CB 3.85Å; Y118-L127 HydrophobicContact CE1-CD1 3.81Å; Y118-L127 HydrophobicContact CE1-CD2 3.99Å; Y118-L127 HydrophobicContact CE1-CG 4.1Å; Y118-L127 HydrophobicContact CG-CD2 4.22Å; A123-L127 WeakPolarHBondContact O-CB 3.3Å; A123-L127 PolarHBondContact O-N 3.14Å; L127-G129 VanDerWaalsContact C-N 3.34Å; L127-F131 HydrophobicContact CD1-CD2 3.57Å; L127-F131 HydrophobicContact CD1-CE2 3.58Å; L127-F131 HydrophobicContact CG-CD2 4.42Å; L127-F131 WeakPolarHBondContact O-CD2 3.41Å; L127-F131 PolarHBondContact O-N 3.14Å; L127-F134 HydrophobicContact CD1-CE1 4.4Å; L127-F134 HydrophobicContact CG-CE1 4.06Å; L127-F134 HydrophobicContact CG-CZ 4.36Å; L127-F134 WeakPolarHBondContact O-CZ 3.2Å; L127-F152 HydrophobicContact CD2-CZ 3.9Å; L127-F152 HydrophobicContact CG-CZ 4.12Å
128L90Very high91.2Very high15 Ų1559 Ų598%0.07929%0.291CS..Hα-helixtrans-70.8-23.6173.5-83.3172.1000115.7K124 R125 R126 F134 H151 F152 R155 K157K124-L128 WeakPolarHBondContact O-CG 3.37Å; K124-L128 PolarHBondContact O-N 3.02Å; K124-L128 VanDerWaalsContact O-N 3.14Å; R125-L128 PolarHBondContact O-N 2.94Å; R126-L128 VanDerWaalsContact C-N 3.27Å; R126-L128 PolarHBondContact O-N 3.2Å; L128-F134 HydrophobicContact CD2-CE2 3.92Å; L128-F134 HydrophobicContact CD2-CZ 4.38Å; L128-H151 HydrophobicContact CD1-CB 3.5Å; L128-H151 VanDerWaalsContact CD1-CB 3.5Å; L128-F152 HydrophobicContact CD1-CD2 3.52Å; L128-F152 HydrophobicContact CD1-CE2 3.77Å; L128-F152 HydrophobicContact CD1-CG 4.24Å; L128-F152 HydrophobicContact CD2-CB 4.32Å; L128-F152 HydrophobicContact CD2-CD1 3.74Å; L128-F152 HydrophobicContact CD2-CD2 3.58Å; L128-F152 HydrophobicContact CD2-CE1 3.89Å; L128-F152 HydrophobicContact CD2-CE2 3.74Å; L128-F152 HydrophobicContact CD2-CG 3.58Å; L128-F152 HydrophobicContact CD2-CZ 3.87Å; L128-F152 HydrophobicContact CG-CD1 4.45Å; L128-F152 HydrophobicContact CG-CD2 3.49Å; L128-F152 VanDerWaalsContact CG-CD2 3.49Å; L128-F152 HydrophobicContact CG-CE1 4.33Å; L128-F152 HydrophobicContact CG-CE2 3.35Å; L128-F152 HydrophobicContact CG-CG 4.07Å; L128-F152 HydrophobicContact CG-CZ 3.79Å; L128-R155 HydrophobicContact CD1-CG 4.48Å; L128-K157 HydrophobicContact CD2-CB 3.96Å; L128-K157 HydrophobicContact CD2-CD 4.12Å; L128-K157 PolarHBondContact O-NZ 2.89Å
129G89.3Confident91.2Very high59 Ų5960.3 Ų60.361%0.60830%0.296SS*.Hα-helixtrans-79.6-40.9179.300000111.6R125 R126 L127R125-G129 PolarHBondContact O-N 3.33Å; R125-G129 VanDerWaalsContact O-N 3.09Å; R126-G129 WeakPolarHBondContact O-CA 3.3Å; R126-G129 PolarHBondContact O-N 2.88Å; L127-G129 VanDerWaalsContact C-N 3.34Å
130N91.3Very high91.2Very high99 Ų9952.8 Ų52.853%0.52926%0.263SS..Hα-helixtrans-71.9-53.9-179.9-60.619.4000111.7R126R126-N130 PolarHBondContact O-N 3.37Å; R126-N130 PolarHBondContact O-OD1 2.68Å; R126-N130 VanDerWaalsContact O-OD1 3.08Å
131F91.7Very high91Very high4 Ų452.2 Ų52.22%0.01825%0.252CS..  trans-95.4138.1-170-61.3-76.1000114E73 C75 T106 E107 L127 F134 K157E73-F131 HydrophobicContact CB-CD1 3.75Å; E73-F131 HydrophobicContact CB-CE1 4.3Å; C75-F131 HydrophobicContact CB-CB 4.05Å; C75-F131 HydrophobicContact CB-CD1 3.59Å; C75-F131 HydrophobicContact CB-CD2 3.8Å; C75-F131 HydrophobicContact CB-CE1 4Å; C75-F131 HydrophobicContact CB-CE2 4.18Å; C75-F131 HydrophobicContact CB-CG 3.51Å; C75-F131 HydrophobicContact CB-CZ 4.29Å; T106-F131 HydrophobicContact CG2-CE1 4.31Å; E107-F131 HydrophobicContact CB-CE1 3.74Å; E107-F131 HydrophobicContact CB-CZ 3.49Å; E107-F131 VanDerWaalsContact CB-CZ 3.49Å; E107-F131 HydrophobicContact CG-CZ 4.31Å; E107-F131 WeakPolarHBondContact OE2-CZ 3.41Å; L127-F131 HydrophobicContact CD1-CD2 3.57Å; L127-F131 HydrophobicContact CD1-CE2 3.58Å; L127-F131 HydrophobicContact CG-CD2 4.42Å; L127-F131 WeakPolarHBondContact O-CD2 3.41Å; L127-F131 PolarHBondContact O-N 3.14Å; F131-F134 HydrophobicContact CB-CE1 3.78Å; F131-F134 HydrophobicContact CB-CE2 4.29Å; F131-F134 HydrophobicContact CB-CZ 3.61Å; F131-F134 HydrophobicContact CD2-CE1 4.18Å; F131-F134 HydrophobicContact CD2-CZ 4.48Å; F131-F134 HydrophobicContact CG-CE1 4.25Å; F131-F134 HydrophobicContact CG-CZ 4.46Å; F131-K157 PolarHBondContact O-NZ 3.24Å
132D88.8Confident91Very high80 Ų8056.9 Ų56.943%0.42827%0.266SS..SBendtrans-93.2-28.4175.1-74.2-50.2000114.3E73 K157E73-D132 PolarHBondContact O-N 3.04Å; D132-K157 WeakPolarHBondContact OD1-CE 3.44Å; D132-K157 IonicContact OD1-NZ 3.24Å; D132-K157 PolarHBondContact OD1-NZ 2.84Å
133M89.2Confident90.8Very high9 Ų954.8 Ų54.84%0.04426%0.258CS..EExtended strand (participates in β ladder)trans-121.1139.7174.1-155.7171-169.800112.4R68 E73 V74 C75 L135 L160 T176 I177R68-M133 PolarHBondContact NH1-SD 2.7Å; E73-M133 PolarHBondContact O-N 3.05Å; E73-M133 VanDerWaalsContact O-N 3.1Å; V74-M133 HydrophobicContact CB-CB 4.34Å; V74-M133 HydrophobicContact CG1-CB 4.2Å; V74-M133 HydrophobicContact CG2-CB 3.95Å; C75-M133 PolarHBondContact N-O 3.27Å; M133-L135 HydrophobicContact CE-CD2 3.82Å; M133-L135 HydrophobicContact CG-CD2 4.49Å; M133-L135 HydrophobicContact SD-CD2 4.21Å; M133-L160 HydrophobicContact CE-CD1 3.59Å; M133-L160 HydrophobicContact CE-CG 4.39Å; M133-T176 HydrophobicContact CE-CG2 4.16Å; M133-T176 WeakPolarHBondContact CE-O 3.49Å; M133-I177 HydrophobicContact SD-CB 4.4Å; M133-I177 HydrophobicContact SD-CG1 3.91Å
134F93Very high90.7Very high4 Ų453.9 Ų53.92%0.01825%0.251CS..EExtended strand (participates in β ladder)trans-115.1122.6166.1-62.9-78.3000109.9C75 F77 L127 L128 F131 F152 K157 P159 L160C75-F134 HydrophobicContact CB-CD1 3.68Å; C75-F134 HydrophobicContact CB-CE1 3.78Å; C75-F134 CarbonylContact O-C 3.59Å; C75-F134 WeakPolarHBondContact O-CA 3.36Å; F77-F134 HydrophobicContact CE2-CB 3.99Å; F77-F134 AromaticContact CE2-CD1 3.46Å; F77-F134 HydrophobicContact CE2-CD1 3.46Å; F77-F134 VanDerWaalsContact CE2-CD1 3.46Å; F77-F134 HydrophobicContact CE2-CE1 4.33Å; F77-F134 HydrophobicContact CE2-CG 4.02Å; F77-F134 AromaticContact CZ-CD1 3.6Å; F77-F134 HydrophobicContact CZ-CD1 3.6Å; F77-F134 HydrophobicContact CZ-CE1 4.03Å; L127-F134 HydrophobicContact CD1-CE1 4.4Å; L127-F134 HydrophobicContact CG-CE1 4.06Å; L127-F134 HydrophobicContact CG-CZ 4.36Å; L127-F134 WeakPolarHBondContact O-CZ 3.2Å; L128-F134 HydrophobicContact CD2-CE2 3.92Å; L128-F134 HydrophobicContact CD2-CZ 4.38Å; F131-F134 HydrophobicContact CB-CE1 3.78Å; F131-F134 HydrophobicContact CB-CE2 4.29Å; F131-F134 HydrophobicContact CB-CZ 3.61Å; F131-F134 HydrophobicContact CD2-CE1 4.18Å; F131-F134 HydrophobicContact CD2-CZ 4.48Å; F131-F134 HydrophobicContact CG-CE1 4.25Å; F131-F134 HydrophobicContact CG-CZ 4.46Å; F134-F152 AromaticContact CD1-CE1 3.81Å; F134-F152 HydrophobicContact CD1-CE1 3.81Å; F134-F152 AromaticContact CD2-CD1 3.87Å; F134-F152 HydrophobicContact CD2-CD1 3.87Å; F134-F152 AromaticContact CD2-CE1 3.62Å; F134-F152 HydrophobicContact CD2-CE1 3.62Å; F134-F152 AromaticContact CE1-CE1 3.62Å; F134-F152 HydrophobicContact CE1-CE1 3.62Å; F134-F152 HydrophobicContact CE1-CZ 4.07Å; F134-F152 AromaticContact CE2-CD1 3.92Å; F134-F152 HydrophobicContact CE2-CD1 3.92Å; F134-F152 AromaticContact CE2-CE1 3.43Å; F134-F152 HydrophobicContact CE2-CE1 3.43Å; F134-F152 VanDerWaalsContact CE2-CE1 3.43Å; F134-F152 HydrophobicContact CE2-CZ 4.19Å; F134-F152 HydrophobicContact CG-CD1 4.27Å; F134-F152 AromaticContact CG-CE1 3.8Å; F134-F152 HydrophobicContact CG-CE1 3.8Å; F134-F152 HydrophobicContact CZ-CD1 4.34Å; F134-F152 AromaticContact CZ-CE1 3.41Å; F134-F152 HydrophobicContact CZ-CE1 3.41Å; F134-F152 VanDerWaalsContact CZ-CE1 3.41Å; F134-F152 AromaticContact CZ-CZ 3.82Å; F134-F152 HydrophobicContact CZ-CZ 3.82Å; F134-K157 HydrophobicContact CD2-CB 4.06Å; F134-K157 HydrophobicContact CE2-CB 4.08Å; F134-K157 HydrophobicContact CE2-CD 4.19Å; F134-P159 HydrophobicContact CB-CB 3.89Å; F134-P159 HydrophobicContact CB-CG 3.85Å; F134-P159 CarbonylContact O-C 3.44Å; F134-P159 VanDerWaalsContact O-CA 3.3Å; F134-P159 WeakPolarHBondContact O-CA 3.37Å; F134-L160 PolarHBondContact O-N 3.14Å
135L92.9Very high90.4Very high0 Ų054.9 Ų54.90%026%0.262CS..EExtended strand (participates in β ladder)trans-103.2160.9165.2-60.1-178.7000108.7V74 C75 L76 F77 M133 L160 V162 I173 T176V74-L135 HydrophobicContact CG1-CD1 3.72Å; V74-L135 HydrophobicContact CG1-CG 3.89Å; C75-L135 PolarHBondContact O-N 3.26Å; L76-L135 HydrophobicContact CB-CB 4.46Å; L76-L135 HydrophobicContact CD1-CB 3.58Å; F77-L135 WeakPolarHBondContact CD2-O 3.14Å; F77-L135 PolarHBondContact N-O 3.17Å; M133-L135 HydrophobicContact CE-CD2 3.82Å; M133-L135 HydrophobicContact CG-CD2 4.49Å; M133-L135 HydrophobicContact SD-CD2 4.21Å; L135-L160 CarbonylContact C-O 3.57Å; L135-L160 WeakPolarHBondContact CA-O 3.49Å; L135-L160 HydrophobicContact CD2-CB 4.18Å; L135-V162 HydrophobicContact CD2-CG2 4.17Å; L135-I173 HydrophobicContact CD1-CG2 4.16Å; L135-T176 HydrophobicContact CD2-CG2 3.75Å
136S93.1Very high90.3Very high0 Ų052 Ų520%027%0.266CS..EExtended strand (participates in β ladder)trans-150.9148.2-179.951.90000110.4F77 L144 L160 S161 V162F77-S136 CarbonylContact O-C 3.41Å; F77-S136 WeakPolarHBondContact O-CA 3.19Å; S136-L144 VanDerWaalsContact CB-CD1 3.42Å; S136-L160 PolarHBondContact N-O 2.88Å; S136-L160 PolarHBondContact OG-O 3.38Å; S136-S161 CarbonylContact O-C 3.56Å; S136-S161 VanDerWaalsContact O-CA 3.22Å; S136-S161 WeakPolarHBondContact O-CA 2.84Å; S136-S161 WeakPolarHBondContact OG-CA 3.5Å; S136-V162 PolarHBondContact O-N 3.19Å
137D92Very high90Very high4 Ų446.7 Ų46.72%0.02125%0.247CC..EExtended strand (participates in β ladder)trans-65.1135.7163.1-169.7-34.8000109.3F77 R139 V140 R141 L164F77-D137 PolarHBondContact O-N 2.74Å; D137-R139 PolarHBondContact O-N 3.25Å; D137-R139 VanDerWaalsContact O-N 3.16Å; D137-R139 WeakPolarHBondContact OD1-CB 3.49Å; D137-R139 VanDerWaalsContact OD1-CG 3.28Å; D137-R139 WeakPolarHBondContact OD1-CG 3.07Å; D137-R139 PolarHBondContact OD1-N 2.78Å; D137-R139 IonicContact OD1-NE 3.17Å; D137-R139 PolarHBondContact OD1-NE 3.12Å; D137-R139 IonicContact OD2-CZ 3.66Å; D137-R139 IonicContact OD2-NE 3.33Å; D137-R139 PolarHBondContact OD2-NE 3.21Å; D137-R139 IonicContact OD2-NH2 3.74Å; D137-R139 PolarHBondContact OD2-NH2 3.32Å; D137-V140 HydrophobicContact CB-CG2 4.07Å; D137-V140 PolarHBondContact O-N 3.42Å; D137-R141 PolarHBondContact O-N 2.6Å; D137-L164 HydrophobicContact CB-CD1 3.8Å; D137-L164 HydrophobicContact CB-CG 4.18Å
138D90.1Very high89.7Confident87 Ų8746.6 Ų46.647%0.46525%0.247SC..Hα-helixtrans-54.4-32.6175.8-157.661.3000112.4V140 S161 V162D138-V140 PolarHBondContact O-N 3.35Å; D138-S161 WeakPolarHBondContact OD1-CB 3.17Å; D138-S161 PolarHBondContact OD1-OG 3.24Å; D138-V162 PolarHBondContact N-O 3.12Å
139R89.6Confident89.5Confident69 Ų6946.8 Ų46.826%0.2625%0.253SS..Hα-helixtrans-60.7-29173.6-61.4-179-67.5168.20.2113.5E81 Y93 D137E81-R139 IonicContact OE1-NH1 2.69Å; E81-R139 IonicContact OE1-NH2 3.8Å; Y93-R139 PolarHBondContact OH-NH2 3.25Å; Y93-R139 VanDerWaalsContact OH-NH2 3.12Å; D137-R139 PolarHBondContact O-N 3.25Å; D137-R139 VanDerWaalsContact O-N 3.16Å; D137-R139 WeakPolarHBondContact OD1-CB 3.49Å; D137-R139 VanDerWaalsContact OD1-CG 3.28Å; D137-R139 WeakPolarHBondContact OD1-CG 3.07Å; D137-R139 PolarHBondContact OD1-N 2.78Å; D137-R139 IonicContact OD1-NE 3.17Å; D137-R139 PolarHBondContact OD1-NE 3.12Å; D137-R139 IonicContact OD2-CZ 3.66Å; D137-R139 IonicContact OD2-NE 3.33Å; D137-R139 PolarHBondContact OD2-NE 3.21Å; D137-R139 IonicContact OD2-NH2 3.74Å; D137-R139 PolarHBondContact OD2-NH2 3.32Å
140V90.6Very high89.4Confident4 Ų450.9 Ų50.92%0.02425%0.254CS..Hα-helixtrans-103.4-27.8-172.2-171.20000111.8R79 Y111 D137 D138 R142 L143 L144R79-V140 HydrophobicContact CB-CG2 3.63Å; R79-V140 HydrophobicContact CG-CG2 4.23Å; Y111-V140 HydrophobicContact CD2-CG1 3.58Å; Y111-V140 HydrophobicContact CE2-CG1 4.31Å; Y111-V140 HydrophobicContact CG-CG1 4.06Å; D137-V140 HydrophobicContact CB-CG2 4.07Å; D137-V140 PolarHBondContact O-N 3.42Å; D138-V140 PolarHBondContact O-N 3.35Å; V140-R142 PolarHBondContact O-N 3.11Å; V140-L143 WeakPolarHBondContact O-CA 3.49Å; V140-L143 WeakPolarHBondContact O-CB 3.29Å; V140-L143 PolarHBondContact O-N 3.19Å; V140-L144 HydrophobicContact CG1-CD2 3.67Å; V140-L144 HydrophobicContact CG1-CG 3.96Å; V140-L144 PolarHBondContact O-N 3.31Å
141R89.2Confident89.2Confident59 Ų5947.8 Ų47.822%0.22324%0.236CC..Hα-helixtrans-45-38.2-177.3175.661.5-179.21657.1114.7D137 L143 E158 P159D137-R141 PolarHBondContact O-N 2.6Å; R141-L143 VanDerWaalsContact C-N 3.33Å; R141-L143 PolarHBondContact O-N 3.14Å; R141-E158 IonicContact CZ-OE2 3.33Å; R141-E158 IonicContact NH1-OE2 3.92Å; R141-E158 IonicContact NH2-OE2 2.66Å; R141-E158 PolarHBondContact NH2-OE2 3.09Å; R141-P159 WeakPolarHBondContact CD-O 3.47Å; R141-P159 PolarHBondContact NE-O 2.9Å; R141-P159 PolarHBondContact NH1-O 3.44Å
142R89.2Confident89.1Confident216 Ų21647.7 Ų47.782%0.81524%0.235SC*.Hα-helixtrans-64.9-31.6177.1-170.1175.572.9152.40.9113.8V140V140-R142 PolarHBondContact O-N 3.11Å
143L88.8Confident89Confident72 Ų7248 Ų4838%0.37723%0.232SC..Hα-helixtrans-90.1-23.4-176.7-56.3176.6000112.8Y111 V140 R141 S145 S146 H147Y111-L143 HydrophobicContact CE1-CD1 4.26Å; Y111-L143 HydrophobicContact CE2-CB 3.64Å; Y111-L143 HydrophobicContact CE2-CD1 4.26Å; V140-L143 WeakPolarHBondContact O-CA 3.49Å; V140-L143 WeakPolarHBondContact O-CB 3.29Å; V140-L143 PolarHBondContact O-N 3.19Å; R141-L143 VanDerWaalsContact C-N 3.33Å; R141-L143 PolarHBondContact O-N 3.14Å; L143-S145 PolarHBondContact O-N 2.93Å; L143-S146 PolarHBondContact O-N 3.06Å; L143-H147 PolarHBondContact O-ND1 3.3Å
144L89.4Confident88.9Confident1 Ų152.2 Ų52.21%0.00525%0.251CS..Hα-helixtrans-61.1-40.2-177.4-68.7-174.8000112.8F77 Y111 L114 S136 V140 S146 H147 I148 P159F77-L144 HydrophobicContact CB-CD1 4Å; F77-L144 HydrophobicContact CB-CD2 4.16Å; F77-L144 HydrophobicContact CD2-CD1 3.76Å; F77-L144 HydrophobicContact CD2-CD2 4.42Å; F77-L144 HydrophobicContact CG-CD1 4.11Å; F77-L144 HydrophobicContact CG-CD2 4.16Å; Y111-L144 HydrophobicContact CD2-CD2 4.37Å; L114-L144 HydrophobicContact CD2-CD2 3.46Å; L114-L144 VanDerWaalsContact CD2-CD2 3.46Å; S136-L144 VanDerWaalsContact CB-CD1 3.42Å; V140-L144 HydrophobicContact CG1-CD2 3.67Å; V140-L144 HydrophobicContact CG1-CG 3.96Å; V140-L144 PolarHBondContact O-N 3.31Å; L144-S146 PolarHBondContact O-N 3.03Å; L144-S146 VanDerWaalsContact O-N 3.14Å; L144-H147 PolarHBondContact O-N 3.37Å; L144-I148 HydrophobicContact CB-CD1 3.86Å; L144-I148 HydrophobicContact CB-CG1 4.28Å; L144-I148 HydrophobicContact CD1-CD1 4.25Å; L144-I148 HydrophobicContact CD2-CD1 4.12Å; L144-I148 HydrophobicContact CG-CD1 4.29Å; L144-I148 WeakPolarHBondContact O-CB 3.49Å; L144-I148 WeakPolarHBondContact O-CG1 3.46Å; L144-I148 PolarHBondContact O-N 3.15Å; L144-P159 HydrophobicContact CD1-CB 3.92Å; L144-P159 HydrophobicContact CD1-CG 4.04Å
145S85Confident88.6Confident55 Ų5561.1 Ų61.139%0.38529%0.285SS..Hα-helixtrans-54.5-36.9-17757.60000113.5L143 G149 Y153L143-S145 PolarHBondContact O-N 2.93Å; S145-G149 PolarHBondContact O-N 2.93Å; S145-Y153 WeakPolarHBondContact CB-OH 3.47Å
146S88.4Confident88.3Confident96 Ų9669.2 Ų69.267%0.67132%0.32SS*.Hα-helixtrans-73.3-39.4177.3175.20000113.1L143 L144L143-S146 PolarHBondContact O-N 3.06Å; L144-S146 PolarHBondContact O-N 3.03Å; L144-S146 VanDerWaalsContact O-N 3.14Å
147H87.3Confident88Confident42 Ų4271.7 Ų71.719%0.19433%0.33CS..Hα-helixtrans-81.9-47.3-174.8-69.275.2000111.7Y111 L114 K124 L143 L144Y111-H147 AromaticContact CE2-ND1 3.77Å; Y111-H147 AromaticContact CZ-CE1 3.72Å; Y111-H147 AromaticContact CZ-ND1 3.97Å; Y111-H147 PolarHBondContact OH-CE1 2.99Å; Y111-H147 PolarHBondContact OH-ND1 2.7Å; L114-H147 HydrophobicContact CD2-CB 4.31Å; K124-H147 WeakPolarHBondContact CE-O 3.24Å; K124-H147 PolarHBondContact NZ-O 3.41Å; L143-H147 PolarHBondContact O-ND1 3.3Å; L144-H147 PolarHBondContact O-N 3.37Å
148I85.2Confident87.8Confident3 Ų373.1 Ų73.12%0.01534%0.337CS..Hα-helixtrans-68.9-35.4-179.6-66.1-168.6000111.5F77 L114 L144 F152 P159F77-I148 HydrophobicContact CD2-CD1 4.14Å; F77-I148 HydrophobicContact CE2-CD1 3.58Å; F77-I148 HydrophobicContact CZ-CD1 3.89Å; L114-I148 HydrophobicContact CD1-CG1 4.5Å; L114-I148 HydrophobicContact CD2-CD1 4.45Å; L114-I148 HydrophobicContact CD2-CG1 4.05Å; L144-I148 HydrophobicContact CB-CD1 3.86Å; L144-I148 HydrophobicContact CB-CG1 4.28Å; L144-I148 HydrophobicContact CD1-CD1 4.25Å; L144-I148 HydrophobicContact CD2-CD1 4.12Å; L144-I148 HydrophobicContact CG-CD1 4.29Å; L144-I148 WeakPolarHBondContact O-CB 3.49Å; L144-I148 WeakPolarHBondContact O-CG1 3.46Å; L144-I148 PolarHBondContact O-N 3.15Å; I148-F152 HydrophobicContact CB-CD2 4.45Å; I148-F152 HydrophobicContact CD1-CD1 4.43Å; I148-F152 HydrophobicContact CD1-CE1 4.31Å; I148-F152 HydrophobicContact CG2-CB 3.53Å; I148-F152 HydrophobicContact CG2-CD1 3.39Å; I148-F152 HydrophobicContact CG2-CD2 3.04Å; I148-F152 HydrophobicContact CG2-CE1 3.78Å; I148-F152 HydrophobicContact CG2-CE2 3.46Å; I148-F152 VanDerWaalsContact CG2-CE2 3.46Å; I148-F152 HydrophobicContact CG2-CG 3.01Å; I148-F152 HydrophobicContact CG2-CZ 3.83Å; I148-P159 HydrophobicContact CD1-CG 3.69Å
149G84.8Confident87.9Confident20 Ų2069 Ų6921%0.20632%0.315CS..  trans70.6-166.8175.200000114.6S145 H151 Y153S145-G149 PolarHBondContact O-N 2.93Å; G149-H151 PolarHBondContact O-N 2.8Å; G149-Y153 WeakPolarHBondContact O-CD2 3.35Å
150K87.8Confident88Confident144 Ų14466.6 Ų66.663%0.62631%0.307SS*.Hα-helixtrans-66.5-32.5-164.3-161.1-171.5172.2-142.80114.3F152 Y153 E154K150-F152 VanDerWaalsContact C-N 3.33Å; K150-F152 PolarHBondContact O-N 2.92Å; K150-Y153 PolarHBondContact O-N 3.15Å; K150-E154 HydrophobicContact CD-CG 4.38Å; K150-E154 WeakPolarHBondContact CD-OE1 3.41Å; K150-E154 WeakPolarHBondContact CE-OE1 3.16Å; K150-E154 HydrophobicContact CG-CG 4.01Å; K150-E154 IonicContact NZ-OE1 2.65Å; K150-E154 PolarHBondContact NZ-OE1 2.96Å; K150-E154 PolarHBondContact O-N 3.09Å
151H87.6Confident87.9Confident35 Ų3567.1 Ų67.116%0.16231%0.311CS..Hα-helixtrans-63.1-34.5-168.3-51.8-48.8000114.6F121 L128 G149 Y153 E154 R155F121-H151 AromaticContact CD2-NE2 3.43Å; F121-H151 WeakPolarHBondContact CD2-NE2 3.21Å; F121-H151 AromaticContact CE2-CE1 3.23Å; F121-H151 WeakPolarHBondContact CE2-CE1 3.41Å; F121-H151 AromaticContact CE2-NE2 3.02Å; F121-H151 WeakPolarHBondContact CE2-NE2 3.43Å; F121-H151 AromaticContact CZ-CE1 3.65Å; F121-H151 AromaticContact CZ-NE2 3.78Å; L128-H151 HydrophobicContact CD1-CB 3.5Å; L128-H151 VanDerWaalsContact CD1-CB 3.5Å; G149-H151 PolarHBondContact O-N 2.8Å; H151-Y153 VanDerWaalsContact C-N 3.32Å; H151-E154 WeakPolarHBondContact CA-OE2 3.36Å; H151-E154 IonicContact CE1-OE2 3.73Å; H151-E154 IonicContact CG-OE2 3.85Å; H151-E154 IonicContact ND1-OE2 2.9Å; H151-E154 PolarHBondContact ND1-OE2 3.39Å; H151-E154 PolarHBondContact O-N 3.09Å; H151-R155 WeakPolarHBondContact O-CB 3.08Å; H151-R155 WeakPolarHBondContact O-CG 3.42Å; H151-R155 PolarHBondContact O-N 2.91Å
152F88.8Confident88Confident1 Ų164.5 Ų64.50%0.00430%0.302CS..Hα-helixtrans-67.3-37.8176.9-78.4-123.9000111F77 L127 L128 F134 I148 K150 K156 K157F77-F152 HydrophobicContact CZ-CE1 4.47Å; L127-F152 HydrophobicContact CD2-CZ 3.9Å; L127-F152 HydrophobicContact CG-CZ 4.12Å; L128-F152 HydrophobicContact CD1-CD2 3.52Å; L128-F152 HydrophobicContact CD1-CE2 3.77Å; L128-F152 HydrophobicContact CD1-CG 4.24Å; L128-F152 HydrophobicContact CD2-CB 4.32Å; L128-F152 HydrophobicContact CD2-CD1 3.74Å; L128-F152 HydrophobicContact CD2-CD2 3.58Å; L128-F152 HydrophobicContact CD2-CE1 3.89Å; L128-F152 HydrophobicContact CD2-CE2 3.74Å; L128-F152 HydrophobicContact CD2-CG 3.58Å; L128-F152 HydrophobicContact CD2-CZ 3.87Å; L128-F152 HydrophobicContact CG-CD1 4.45Å; L128-F152 HydrophobicContact CG-CD2 3.49Å; L128-F152 VanDerWaalsContact CG-CD2 3.49Å; L128-F152 HydrophobicContact CG-CE1 4.33Å; L128-F152 HydrophobicContact CG-CE2 3.35Å; L128-F152 HydrophobicContact CG-CG 4.07Å; L128-F152 HydrophobicContact CG-CZ 3.79Å; F134-F152 AromaticContact CD1-CE1 3.81Å; F134-F152 HydrophobicContact CD1-CE1 3.81Å; F134-F152 AromaticContact CD2-CD1 3.87Å; F134-F152 HydrophobicContact CD2-CD1 3.87Å; F134-F152 AromaticContact CD2-CE1 3.62Å; F134-F152 HydrophobicContact CD2-CE1 3.62Å; F134-F152 AromaticContact CE1-CE1 3.62Å; F134-F152 HydrophobicContact CE1-CE1 3.62Å; F134-F152 HydrophobicContact CE1-CZ 4.07Å; F134-F152 AromaticContact CE2-CD1 3.92Å; F134-F152 HydrophobicContact CE2-CD1 3.92Å; F134-F152 AromaticContact CE2-CE1 3.43Å; F134-F152 HydrophobicContact CE2-CE1 3.43Å; F134-F152 VanDerWaalsContact CE2-CE1 3.43Å; F134-F152 HydrophobicContact CE2-CZ 4.19Å; F134-F152 HydrophobicContact CG-CD1 4.27Å; F134-F152 AromaticContact CG-CE1 3.8Å; F134-F152 HydrophobicContact CG-CE1 3.8Å; F134-F152 HydrophobicContact CZ-CD1 4.34Å; F134-F152 AromaticContact CZ-CE1 3.41Å; F134-F152 HydrophobicContact CZ-CE1 3.41Å; F134-F152 VanDerWaalsContact CZ-CE1 3.41Å; F134-F152 AromaticContact CZ-CZ 3.82Å; F134-F152 HydrophobicContact CZ-CZ 3.82Å; I148-F152 HydrophobicContact CB-CD2 4.45Å; I148-F152 HydrophobicContact CD1-CD1 4.43Å; I148-F152 HydrophobicContact CD1-CE1 4.31Å; I148-F152 HydrophobicContact CG2-CB 3.53Å; I148-F152 HydrophobicContact CG2-CD1 3.39Å; I148-F152 HydrophobicContact CG2-CD2 3.04Å; I148-F152 HydrophobicContact CG2-CE1 3.78Å; I148-F152 HydrophobicContact CG2-CE2 3.46Å; I148-F152 VanDerWaalsContact CG2-CE2 3.46Å; I148-F152 HydrophobicContact CG2-CG 3.01Å; I148-F152 HydrophobicContact CG2-CZ 3.83Å; K150-F152 VanDerWaalsContact C-N 3.33Å; K150-F152 PolarHBondContact O-N 2.92Å; F152-K156 CarbonylContact O-C 3.47Å; F152-K156 PolarHBondContact O-N 2.92Å; F152-K157 VanDerWaalsContact CD1-O 3.3Å; F152-K157 WeakPolarHBondContact CD1-O 3.25Å; F152-K157 PolarHBondContact O-N 3.08Å
153Y86.9Confident88Confident88 Ų8858.6 Ų58.635%0.34529%0.286SS..Hα-helixtrans-74.7-34.9176.1-62.4-79.8000112.4S145 G149 K150 H151 K156 E158S145-Y153 WeakPolarHBondContact CB-OH 3.47Å; G149-Y153 WeakPolarHBondContact O-CD2 3.35Å; K150-Y153 PolarHBondContact O-N 3.15Å; H151-Y153 VanDerWaalsContact C-N 3.32Å; Y153-K156 PolarHBondContact O-N 2.71Å; Y153-E158 HydrophobicContact CD1-CB 4.11Å; Y153-E158 HydrophobicContact CE1-CB 3.9Å; Y153-E158 WeakPolarHBondContact CE1-OE2 3.43Å
154E87.4Confident87.9Confident97 Ų9755.8 Ų55.845%0.45327%0.271SS..Hα-helixtrans-61-45.4171.3-72.6170153.600111.6K150 H151 K156K150-E154 HydrophobicContact CD-CG 4.38Å; K150-E154 WeakPolarHBondContact CD-OE1 3.41Å; K150-E154 WeakPolarHBondContact CE-OE1 3.16Å; K150-E154 HydrophobicContact CG-CG 4.01Å; K150-E154 IonicContact NZ-OE1 2.65Å; K150-E154 PolarHBondContact NZ-OE1 2.96Å; K150-E154 PolarHBondContact O-N 3.09Å; H151-E154 WeakPolarHBondContact CA-OE2 3.36Å; H151-E154 IonicContact CE1-OE2 3.73Å; H151-E154 IonicContact CG-OE2 3.85Å; H151-E154 IonicContact ND1-OE2 2.9Å; H151-E154 PolarHBondContact ND1-OE2 3.39Å; H151-E154 PolarHBondContact O-N 3.09Å; E154-K156 VanDerWaalsContact C-N 3.26Å; E154-K156 PolarHBondContact O-N 3.05Å
155R86.8Confident87.8Confident191 Ų19165.1 Ų65.172%0.72131%0.307SS*.THydrogen-bonded Turntrans-79.6-2.4176.9-65.9-64.2-120.9-140.35113.9L128 H151 K157L128-R155 HydrophobicContact CD1-CG 4.48Å; H151-R155 WeakPolarHBondContact O-CB 3.08Å; H151-R155 WeakPolarHBondContact O-CG 3.42Å; H151-R155 PolarHBondContact O-N 2.91Å; R155-K157 PolarHBondContact O-N 3.29Å; R155-K157 VanDerWaalsContact O-N 3.12Å
156K86.1Confident87.8Confident169 Ų16963.9 Ų63.974%0.73530%0.298SS*.THydrogen-bonded Turntrans55.817.3-172.6-54.3178.2-178.2174.90114.7F152 Y153 E154 E158F152-K156 CarbonylContact O-C 3.47Å; F152-K156 PolarHBondContact O-N 2.92Å; Y153-K156 PolarHBondContact O-N 2.71Å; E154-K156 VanDerWaalsContact C-N 3.26Å; E154-K156 PolarHBondContact O-N 3.05Å; K156-E158 PolarHBondContact O-N 2.76Å
157K87.6Confident87.7Confident52 Ų5269 Ų6923%0.22631%0.308CS..  trans-86.454.1172.8-72.4-168.8171.4-175.80109.9L128 F131 D132 F134 F152 R155L128-K157 HydrophobicContact CD2-CB 3.96Å; L128-K157 HydrophobicContact CD2-CD 4.12Å; L128-K157 PolarHBondContact O-NZ 2.89Å; F131-K157 PolarHBondContact O-NZ 3.24Å; D132-K157 WeakPolarHBondContact OD1-CE 3.44Å; D132-K157 IonicContact OD1-NZ 3.24Å; D132-K157 PolarHBondContact OD1-NZ 2.84Å; F134-K157 HydrophobicContact CD2-CB 4.06Å; F134-K157 HydrophobicContact CE2-CB 4.08Å; F134-K157 HydrophobicContact CE2-CD 4.19Å; F152-K157 VanDerWaalsContact CD1-O 3.3Å; F152-K157 WeakPolarHBondContact CD1-O 3.25Å; F152-K157 PolarHBondContact O-N 3.08Å; R155-K157 PolarHBondContact O-N 3.29Å; R155-K157 VanDerWaalsContact O-N 3.12Å
158E88.3Confident87.7Confident34 Ų3474.4 Ų74.416%0.15933%0.331CS..PPolyproline II helixtrans-77.9139.3-17967.4165163.700112.8T58 R141 Y153 K156 L160T58-E158 PolarHBondContact OG1-OE1 3.27Å; R141-E158 IonicContact CZ-OE2 3.33Å; R141-E158 IonicContact NH1-OE2 3.92Å; R141-E158 IonicContact NH2-OE2 2.66Å; R141-E158 PolarHBondContact NH2-OE2 3.09Å; Y153-E158 HydrophobicContact CD1-CB 4.11Å; Y153-E158 HydrophobicContact CE1-CB 3.9Å; Y153-E158 WeakPolarHBondContact CE1-OE2 3.43Å; K156-E158 PolarHBondContact O-N 2.76Å; E158-L160 PolarHBondContact O-N 3.23Å
159P91.4Very high87.8Confident1 Ų174.3 Ų74.31%0.00633%0.331CS..PPolyproline II helixtrans-65.3126.5-177.6-23.732000114.3F77 F134 R141 L144 I148F77-P159 HydrophobicContact CD2-CB 4.1Å; F77-P159 HydrophobicContact CD2-CG 4.01Å; F77-P159 HydrophobicContact CE2-CB 4.33Å; F77-P159 HydrophobicContact CE2-CG 3.82Å; F134-P159 HydrophobicContact CB-CB 3.89Å; F134-P159 HydrophobicContact CB-CG 3.85Å; F134-P159 CarbonylContact O-C 3.44Å; F134-P159 VanDerWaalsContact O-CA 3.3Å; F134-P159 WeakPolarHBondContact O-CA 3.37Å; R141-P159 WeakPolarHBondContact CD-O 3.47Å; R141-P159 PolarHBondContact NE-O 2.9Å; R141-P159 PolarHBondContact NH1-O 3.44Å; L144-P159 HydrophobicContact CD1-CB 3.92Å; L144-P159 HydrophobicContact CD1-CG 4.04Å; I148-P159 HydrophobicContact CD1-CG 3.69Å
160L91.1Very high87.9Confident19 Ų1974.9 Ų74.910%0.09933%0.334CS..EExtended strand (participates in β ladder)trans-83137175.1-53.5-169.4000110.3M133 F134 L135 S136 E158 T176 T181M133-L160 HydrophobicContact CE-CD1 3.59Å; M133-L160 HydrophobicContact CE-CG 4.39Å; F134-L160 PolarHBondContact O-N 3.14Å; L135-L160 CarbonylContact C-O 3.57Å; L135-L160 WeakPolarHBondContact CA-O 3.49Å; L135-L160 HydrophobicContact CD2-CB 4.18Å; S136-L160 PolarHBondContact N-O 2.88Å; S136-L160 PolarHBondContact OG-O 3.38Å; E158-L160 PolarHBondContact O-N 3.23Å; L160-T176 HydrophobicContact CB-CG2 4.04Å; L160-T176 HydrophobicContact CD1-CG2 3.72Å; L160-T181 HydrophobicContact CD1-CG2 3.56Å; L160-T181 HydrophobicContact CD2-CG2 3.65Å; L160-T181 HydrophobicContact CG-CG2 4.27Å
161S89.9Confident88Confident15 Ų1571.5 Ų71.511%0.10533%0.325CS..EExtended strand (participates in β ladder)trans-83.7142.3-179.463.50000113.4R60 S136 D138R60-S161 PolarHBondContact NH1-O 2.9Å; R60-S161 PolarHBondContact NH2-O 2.66Å; R60-S161 PolarHBondContact NH2-OG 2.67Å; S136-S161 CarbonylContact O-C 3.56Å; S136-S161 VanDerWaalsContact O-CA 3.22Å; S136-S161 WeakPolarHBondContact O-CA 2.84Å; S136-S161 WeakPolarHBondContact OG-CA 3.5Å; D138-S161 WeakPolarHBondContact OD1-CB 3.17Å; D138-S161 PolarHBondContact OD1-OG 3.24Å
162V91Very high88Confident4 Ų472.5 Ų72.52%0.02433%0.331CS..EExtended strand (participates in β ladder)trans-136.6142178.8-177.50000108.7L135 S136 D138 L164 L169 D172 I173 T176L135-V162 HydrophobicContact CD2-CG2 4.17Å; S136-V162 PolarHBondContact O-N 3.19Å; D138-V162 PolarHBondContact N-O 3.12Å; V162-L164 PolarHBondContact O-N 2.92Å; V162-L164 VanDerWaalsContact O-N 3.14Å; V162-L169 HydrophobicContact CG1-CD1 3.85Å; V162-D172 HydrophobicContact CG1-CB 4.37Å; V162-I173 HydrophobicContact CG1-CG1 3.77Å; V162-T176 HydrophobicContact CG2-CG2 4.36Å
163N89.6Confident88.1Confident92 Ų9272.5 Ų72.549%0.49233%0.331SS..  trans-84.385.7-178.7-72-28.4000110.9R165 S166N163-R165 PolarHBondContact O-N 3.04Å; N163-S166 WeakPolarHBondContact O-CB 3.44Å; N163-S166 PolarHBondContact O-N 3.46Å
164L86Confident88.1Confident12 Ų1273.1 Ų73.16%0.06334%0.337CS..THydrogen-bonded Turntrans-59.4-13.3179.8-58.5-174.2000114.7L76 T78 Y93 D137 V162 L169L76-L164 HydrophobicContact CD1-CD2 4.27Å; L76-L164 HydrophobicContact CD2-CD1 4.43Å; L76-L164 HydrophobicContact CD2-CD2 4.1Å; T78-L164 HydrophobicContact CG2-CD1 3.84Å; Y93-L164 HydrophobicContact CD1-CD1 4.18Å; Y93-L164 HydrophobicContact CE1-CD1 3.79Å; D137-L164 HydrophobicContact CB-CD1 3.8Å; D137-L164 HydrophobicContact CB-CG 4.18Å; V162-L164 PolarHBondContact O-N 2.92Å; V162-L164 VanDerWaalsContact O-N 3.14Å; L164-L169 HydrophobicContact CD2-CD1 3.93Å; L164-L169 HydrophobicContact CD2-CD2 4.41Å
165R87.1Confident88.2Confident197 Ų19775.1 Ų75.174%0.74334%0.341SS*.THydrogen-bonded Turntrans-88.5-8.5175-66.6177.7169.1-170.4-9.6114.1N163N163-R165 PolarHBondContact O-N 3.04Å
166S85.9Confident88.3Confident30 Ų3066.9 Ų66.921%0.2131%0.311CS..  trans-72144.9-175.591.80000111.1N163 K168 L169 D172N163-S166 WeakPolarHBondContact O-CB 3.44Å; N163-S166 PolarHBondContact O-N 3.46Å; S166-K168 PolarHBondContact O-N 2.99Å; S166-K168 PolarHBondContact OG-N 3.25Å; S166-L169 PolarHBondContact OG-N 3.28Å; S166-D172 WeakPolarHBondContact CB-OD2 3.29Å; S166-D172 PolarHBondContact OG-OD2 3.36Å
167K84.5Confident88.4Confident203 Ų20359.5 Ų59.588%0.88328%0.28SS*.THydrogen-bonded Turntrans-66.1-22.1172.5-65.4-175.5179.8-177.50112.2
168K87.5Confident88.4Confident156 Ų15660.2 Ų60.268%0.67828%0.284SS*.THydrogen-bonded Turntrans-103.529.4-175.9-61.6-173.2178.4-176.30112.6S166 A170 V171 D172S166-K168 PolarHBondContact O-N 2.99Å; S166-K168 PolarHBondContact OG-N 3.25Å; K168-A170 VanDerWaalsContact C-N 3.3Å; K168-A170 PolarHBondContact O-N 3.36Å; K168-A170 VanDerWaalsContact O-N 3.17Å; K168-V171 PolarHBondContact O-N 3.27Å; K168-D172 PolarHBondContact O-N 2.92Å
169L87.2Confident88.4Confident1 Ų158.9 Ų58.91%0.00528%0.279CS..Hα-helixtrans-51.9-42.4-171.8-179.158000114L96 L97 R100 V162 L164 S166 V171 D172 I173L96-L169 HydrophobicContact CD2-CD2 3.77Å; L97-L169 HydrophobicContact CD2-CD2 4.36Å; R100-L169 HydrophobicContact CG-CD2 4.43Å; V162-L169 HydrophobicContact CG1-CD1 3.85Å; L164-L169 HydrophobicContact CD2-CD1 3.93Å; L164-L169 HydrophobicContact CD2-CD2 4.41Å; S166-L169 PolarHBondContact OG-N 3.28Å; L169-V171 PolarHBondContact O-N 3.3Å; L169-D172 PolarHBondContact O-N 2.84Å; L169-I173 HydrophobicContact CD1-CD1 3.7Å; L169-I173 HydrophobicContact CD1-CG1 3.94Å; L169-I173 HydrophobicContact CD2-CD1 4.47Å; L169-I173 HydrophobicContact CG-CD1 3.84Å; L169-I173 HydrophobicContact CG-CG1 4.41Å; L169-I173 WeakPolarHBondContact O-CB 3.36Å; L169-I173 WeakPolarHBondContact O-CG1 3.37Å; L169-I173 PolarHBondContact O-N 3.46Å
170A88Confident88.3Confident32 Ų3260 Ų6026%0.26429%0.286SS..Hα-helixtrans-62.1-44.2179.400000112.8R100 V102 K168 I173 Q174R100-A170 WeakPolarHBondContact O-CB 3.18Å; V102-A170 HydrophobicContact CG2-CB 3.94Å; K168-A170 VanDerWaalsContact C-N 3.3Å; K168-A170 PolarHBondContact O-N 3.36Å; K168-A170 VanDerWaalsContact O-N 3.17Å; A170-I173 PolarHBondContact O-N 3.27Å; A170-Q174 VanDerWaalsContact O-CB 3.22Å; A170-Q174 WeakPolarHBondContact O-CB 3.36Å; A170-Q174 PolarHBondContact O-N 3.44Å
171V88.8Confident88.2Confident73 Ų7361 Ų6144%0.44229%0.293SS..Hα-helixtrans-66.1-39.4176.9-177.70000110.9K168 L169 R175K168-V171 PolarHBondContact O-N 3.27Å; L169-V171 PolarHBondContact O-N 3.3Å; V171-R175 WeakPolarHBondContact O-CB 3.29Å; V171-R175 PolarHBondContact O-N 3.47Å
172D89.1Confident88.2Confident55 Ų5560.3 Ų60.329%0.29429%0.288SS..Hα-helixtrans-65.4-41.3177.6-68.8-27.3000111.9V162 S166 K168 L169 T176V162-D172 HydrophobicContact CG1-CB 4.37Å; S166-D172 WeakPolarHBondContact CB-OD2 3.29Å; S166-D172 PolarHBondContact OG-OD2 3.36Å; K168-D172 PolarHBondContact O-N 2.92Å; L169-D172 PolarHBondContact O-N 2.84Å; D172-T176 WeakPolarHBondContact O-CB 3.43Å; D172-T176 PolarHBondContact O-N 3.04Å; D172-T176 VanDerWaalsContact O-N 3.16Å; D172-T176 PolarHBondContact O-OG1 3.27Å
173I89.4Confident88.1Confident2 Ų263.4 Ų63.41%0.0131%0.31CS..Hα-helixtrans-68.8-53.2176-71.7175.9000110.5L97 V102 L135 V162 L169 A170 R175 T176 I177L97-I173 HydrophobicContact CD2-CD1 3.91Å; V102-I173 HydrophobicContact CG1-CB 4.43Å; V102-I173 HydrophobicContact CG1-CD1 3.9Å; V102-I173 HydrophobicContact CG1-CG2 3.9Å; V102-I173 HydrophobicContact CG2-CD1 4.17Å; L135-I173 HydrophobicContact CD1-CG2 4.16Å; V162-I173 HydrophobicContact CG1-CG1 3.77Å; L169-I173 HydrophobicContact CD1-CD1 3.7Å; L169-I173 HydrophobicContact CD1-CG1 3.94Å; L169-I173 HydrophobicContact CD2-CD1 4.47Å; L169-I173 HydrophobicContact CG-CD1 3.84Å; L169-I173 HydrophobicContact CG-CG1 4.41Å; L169-I173 WeakPolarHBondContact O-CB 3.36Å; L169-I173 WeakPolarHBondContact O-CG1 3.37Å; L169-I173 PolarHBondContact O-N 3.46Å; A170-I173 PolarHBondContact O-N 3.27Å; I173-R175 VanDerWaalsContact C-N 3.33Å; I173-R175 PolarHBondContact O-N 2.92Å; I173-T176 CarbonylContact O-C 3.52Å; I173-T176 WeakPolarHBondContact O-CA 3.48Å; I173-T176 WeakPolarHBondContact O-CB 3.27Å; I173-T176 PolarHBondContact O-N 3.36Å; I173-I177 HydrophobicContact CG2-CD1 3.56Å; I173-I177 HydrophobicContact CG2-CG1 4.22Å; I173-I177 WeakPolarHBondContact O-CG1 3.39Å; I173-I177 PolarHBondContact O-N 3.3Å
174Q88.5Confident88Confident100 Ų10059.4 Ų59.447%0.46729%0.289SS..Hα-helixtrans-56.9-46.2-179-175.5179.52.200111.4A170 T176 I177 Q178A170-Q174 VanDerWaalsContact O-CB 3.22Å; A170-Q174 WeakPolarHBondContact O-CB 3.36Å; A170-Q174 PolarHBondContact O-N 3.44Å; Q174-T176 VanDerWaalsContact C-N 3.26Å; Q174-T176 PolarHBondContact O-N 3.06Å; Q174-I177 PolarHBondContact O-N 3.23Å; Q174-Q178 HydrophobicContact CG-CG 4.31Å; Q174-Q178 WeakPolarHBondContact O-CB 3.37Å; Q174-Q178 WeakPolarHBondContact O-CG 3.32Å; Q174-Q178 PolarHBondContact O-N 3.21Å
175R88.7Confident88Confident140 Ų14061.4 Ų61.453%0.52830%0.304SS..Hα-helixtrans-60.6-33.6174-177-175.4-62.2-130.1-4.6113P62 V171 I173 G179P62-R175 HydrophobicContact CB-CG 3.72Å; V171-R175 WeakPolarHBondContact O-CB 3.29Å; V171-R175 PolarHBondContact O-N 3.47Å; I173-R175 VanDerWaalsContact C-N 3.33Å; I173-R175 PolarHBondContact O-N 2.92Å; R175-G179 PolarHBondContact O-N 3.4Å; R175-G179 VanDerWaalsContact O-N 3.09Å
176T88.8Confident88Confident17 Ų1758 Ų5810%0.10429%0.294CS..Hα-helixtrans-76.3-35.5178.2-60.60000111.5M133 L135 L160 V162 D172 I173 Q174M133-T176 HydrophobicContact CE-CG2 4.16Å; M133-T176 WeakPolarHBondContact CE-O 3.49Å; L135-T176 HydrophobicContact CD2-CG2 3.75Å; L160-T176 HydrophobicContact CB-CG2 4.04Å; L160-T176 HydrophobicContact CD1-CG2 3.72Å; V162-T176 HydrophobicContact CG2-CG2 4.36Å; D172-T176 WeakPolarHBondContact O-CB 3.43Å; D172-T176 PolarHBondContact O-N 3.04Å; D172-T176 VanDerWaalsContact O-N 3.16Å; D172-T176 PolarHBondContact O-OG1 3.27Å; I173-T176 CarbonylContact O-C 3.52Å; I173-T176 WeakPolarHBondContact O-CA 3.48Å; I173-T176 WeakPolarHBondContact O-CB 3.27Å; I173-T176 PolarHBondContact O-N 3.36Å; Q174-T176 VanDerWaalsContact C-N 3.26Å; Q174-T176 PolarHBondContact O-N 3.06Å
177I88.6Confident87.9Confident15 Ų1566.1 Ų66.18%0.07733%0.326CS..Hα-helixtrans-72-52.2176.2-66.6173.2000110.6R68 V74 N104 M133 I173 Q174 G179R68-I177 WeakPolarHBondContact CD-O 3.2Å; V74-I177 HydrophobicContact CG2-CD1 4.41Å; N104-I177 HydrophobicContact CB-CD1 3.6Å; M133-I177 HydrophobicContact SD-CB 4.4Å; M133-I177 HydrophobicContact SD-CG1 3.91Å; I173-I177 HydrophobicContact CG2-CD1 3.56Å; I173-I177 HydrophobicContact CG2-CG1 4.22Å; I173-I177 WeakPolarHBondContact O-CG1 3.39Å; I173-I177 PolarHBondContact O-N 3.3Å; Q174-I177 PolarHBondContact O-N 3.23Å; I177-G179 VanDerWaalsContact C-N 3.31Å; I177-G179 PolarHBondContact O-N 3.43Å
178Q87.9Confident88Confident67 Ų6757.8 Ų57.831%0.31330%0.298SS..Hα-helixtrans-63-37.1178.7-69.6172.1-31.500112.5Q174Q174-Q178 HydrophobicContact CG-CG 4.31Å; Q174-Q178 WeakPolarHBondContact O-CB 3.37Å; Q174-Q178 WeakPolarHBondContact O-CG 3.32Å; Q174-Q178 PolarHBondContact O-N 3.21Å
179G87.5Confident88Confident5 Ų552.7 Ų52.75%0.05228%0.281CS..SBendtrans-75.2170.8179.900000114.5I61 R175 I177I61-G179 CarbonylContact O-C 3.58Å; I61-G179 WeakPolarHBondContact O-CA 3.3Å; R175-G179 PolarHBondContact O-N 3.4Å; R175-G179 VanDerWaalsContact O-N 3.09Å; I177-G179 VanDerWaalsContact C-N 3.31Å; I177-G179 PolarHBondContact O-N 3.43Å
180T89Confident88.1Confident24 Ų2456 Ų5615%0.14730%0.303CS..EExtended strand (participates in β ladder)trans-117.8160.5172.2-71.20000111.6I61 I67 A193 R194I61-T180 WeakPolarHBondContact CA-O 3.31Å; I61-T180 WeakPolarHBondContact CB-O 3.41Å; I61-T180 PolarHBondContact N-O 3.34Å; I61-T180 PolarHBondContact O-N 3.33Å; I67-T180 WeakPolarHBondContact CD1-OG1 3.38Å; T180-A193 HydrophobicContact CG2-CB 4.45Å; T180-R194 WeakPolarHBondContact CB-O 3.42Å; T180-R194 HydrophobicContact CG2-CB 4.19Å; T180-R194 VanDerWaalsContact CG2-O 3.25Å; T180-R194 WeakPolarHBondContact CG2-O 3.3Å; T180-R194 PolarHBondContact OG1-O 3.35Å
181T89.4Confident88.2Confident41 Ų4155 Ų5525%0.25229%0.294SS..EExtended strand (participates in β ladder)trans-115.7135.9169.958.30000112I59 R60 L160I59-T181 CarbonylContact O-C 3.35Å; I59-T181 VanDerWaalsContact O-CA 3.3Å; I59-T181 WeakPolarHBondContact O-CA 3.49Å; R60-T181 HydrophobicContact CB-CG2 4.45Å; R60-T181 HydrophobicContact CG-CG2 4.01Å; L160-T181 HydrophobicContact CD1-CG2 3.56Å; L160-T181 HydrophobicContact CD2-CG2 3.65Å; L160-T181 HydrophobicContact CG-CG2 4.27Å
182I89.9Confident88.3Confident0 Ų055.4 Ų55.40%029%0.292CS..EExtended strand (participates in β ladder)trans-106.9124.9170.9-169.4174.9000109.4F47 T58 I59 I61 I184 C191 A193 I216F47-I182 HydrophobicContact CD2-CD1 3.8Å; F47-I182 HydrophobicContact CE2-CD1 4.15Å; T58-I182 CarbonylContact C-O 3.57Å; T58-I182 WeakPolarHBondContact CA-O 3.4Å; I59-I182 HydrophobicContact CB-CG2 3.77Å; I59-I182 HydrophobicContact CG2-CG2 4.39Å; I59-I182 PolarHBondContact N-O 2.84Å; I59-I182 PolarHBondContact O-N 2.72Å; I61-I182 HydrophobicContact CD1-CB 4.23Å; I61-I182 HydrophobicContact CD1-CG2 3.92Å; I61-I182 HydrophobicContact CG1-CG2 4.48Å; I182-I184 HydrophobicContact CG1-CG1 4.37Å; I182-I184 HydrophobicContact CG2-CG1 4.46Å; I182-C191 HydrophobicContact CD1-CB 3.91Å; I182-C191 HydrophobicContact CG1-CB 4.16Å; I182-A193 HydrophobicContact CB-CB 4.08Å; I182-A193 HydrophobicContact CD1-CB 4.14Å; I182-A193 HydrophobicContact CG1-CB 4.23Å; I182-I216 HydrophobicContact CD1-CD1 4.18Å; I182-I216 HydrophobicContact CG2-CG1 4.31Å
183S87.8Confident88.4Confident70 Ų7052.9 Ų52.949%0.4928%0.279SS..EExtended strand (participates in β ladder)trans-94.8116.2173.250.90000109.9
184I88.6Confident88.5Confident7 Ų759 Ų594%0.03630%0.302CS..EExtended strand (participates in β ladder)trans-101117.9-178.4-52.8-179.1000108.6L49 P53 A56 Q57 I59 I182 C191 L220L49-I184 HydrophobicContact CD1-CG2 4.29Å; P53-I184 HydrophobicContact CG-CG2 3.79Å; A56-I184 VanDerWaalsContact CA-O 3.29Å; A56-I184 WeakPolarHBondContact CA-O 3.45Å; Q57-I184 HydrophobicContact CG-CB 4.05Å; Q57-I184 HydrophobicContact CG-CD1 4.38Å; Q57-I184 PolarHBondContact N-O 2.83Å; Q57-I184 VanDerWaalsContact N-O 3.12Å; Q57-I184 PolarHBondContact O-N 3.37Å; I59-I184 HydrophobicContact CD1-CD1 3.65Å; I59-I184 HydrophobicContact CG1-CD1 4.34Å; I182-I184 HydrophobicContact CG1-CG1 4.37Å; I182-I184 HydrophobicContact CG2-CG1 4.46Å; I184-C191 HydrophobicContact CG1-CB 4.44Å; I184-L220 HydrophobicContact CD1-CD1 4.01Å
185S85.7Confident88.6Confident55 Ų5554.3 Ų54.339%0.38528%0.28SS..PPolyproline II helixtrans-89.5156.8-174.6-178.10000112.4K187S185-K187 VanDerWaalsContact C-N 3.33Å; S185-K187 PolarHBondContact OG-N 3.12Å; S185-K187 VanDerWaalsContact OG-N 3.08Å
186K86.9Confident88.7Confident124 Ų12447.6 Ų47.654%0.53926%0.255SS..SBendtrans-82.4-9.2167.6-53.7-176-171.7-162.30113.6I52 K54 A56I52-K186 VanDerWaalsContact CG2-O 3.31Å; I52-K186 WeakPolarHBondContact CG2-O 3.32Å; K54-K186 WeakPolarHBondContact O-CD 3.32Å; K54-K186 VanDerWaalsContact O-CE 3.27Å; K54-K186 WeakPolarHBondContact O-CE 3.48Å; K54-K186 PolarHBondContact O-NZ 2.88Å; A56-K186 HydrophobicContact CB-CG 4.1Å
187K85.1Confident88.7Confident202 Ų20248.3 Ų48.388%0.87826%0.257SS*.SBendtrans-91.8-12.6-168.4-63.5-171.6176.2-173.10114.3S185S185-K187 VanDerWaalsContact C-N 3.33Å; S185-K187 PolarHBondContact OG-N 3.12Å; S185-K187 VanDerWaalsContact OG-N 3.08Å
188G86.3Confident88.7Confident28 Ų2849.4 Ų49.429%0.28927%0.266SS..  trans-165.9164.7-174.200000112.6
189C86.3Confident88.5Confident48 Ų4849.2 Ų49.232%0.32428%0.282SS..SBendtrans-80.4-19.2179.849.60000114.2L49 I52L49-C189 WeakPolarHBondContact CB-O 3.43Å; L49-C189 WeakPolarHBondContact CG-O 3.43Å; L49-C189 PolarHBondContact N-O 2.7Å; L49-C189 WeakPolarHBondContact O-CB 3.41Å; I52-C189 HydrophobicContact CG1-CB 4.38Å
190C89.1Confident88.6Confident71 Ų7149.6 Ų49.648%0.4828%0.283SS..EExtended strand (participates in β ladder)trans-94.1131.2-174.6-60.90000112.3L46 F47L46-C190 HydrophobicContact CD1-CB 4.12Å; F47-C190 CarbonylContact O-C 3.4Å; F47-C190 VanDerWaalsContact O-CA 3.3Å; F47-C190 WeakPolarHBondContact O-CA 3.22Å
191C90.3Very high88.7Confident10 Ų1050.8 Ų50.87%0.06830%0.295CS..EExtended strand (participates in β ladder)trans-135.1152.2170.452.10000110.8F47 I182 I184F47-C191 PolarHBondContact N-O 3.48Å; F47-C191 PolarHBondContact O-N 3.4Å; I182-C191 HydrophobicContact CD1-CB 3.91Å; I182-C191 HydrophobicContact CG1-CB 4.16Å; I184-C191 HydrophobicContact CG1-CB 4.44Å
192M91.2Very high88.8Confident83 Ų8349.9 Ų49.941%0.40929%0.291SS..EExtended strand (participates in β ladder)trans-132.1133.2-171-172.5-176.7-63.800110.7L45 L46 K233L45-M192 CarbonylContact O-C 3.49Å; L45-M192 VanDerWaalsContact O-CA 3.26Å; L45-M192 WeakPolarHBondContact O-CA 3.06Å; L46-M192 HydrophobicContact CD1-CB 4.44Å; L46-M192 HydrophobicContact CD1-CE 4.13Å; M192-K233 HydrophobicContact CE-CD 3.89Å
193A91.5Very high88.9Confident2 Ų253.5 Ų53.52%0.01731%0.31CS..EExtended strand (participates in β ladder)trans-123141.9175.200000109.8S44 L45 F47 I61 T180 I182 V195S44-A193 CarbonylContact C-O 3.58Å; S44-A193 WeakPolarHBondContact CA-O 3.45Å; S44-A193 VanDerWaalsContact CB-O 3.32Å; S44-A193 WeakPolarHBondContact CB-O 3.33Å; L45-A193 PolarHBondContact N-O 2.84Å; L45-A193 PolarHBondContact O-N 2.85Å; F47-A193 HydrophobicContact CE2-CB 4.3Å; I61-A193 HydrophobicContact CD1-CB 4.27Å; T180-A193 HydrophobicContact CG2-CB 4.45Å; I182-A193 HydrophobicContact CB-CB 4.08Å; I182-A193 HydrophobicContact CD1-CB 4.14Å; I182-A193 HydrophobicContact CG1-CB 4.23Å; A193-V195 HydrophobicContact CB-CG2 4.49Å
194R91.3Very high89.2Confident130 Ų13053.5 Ų53.549%0.49130%0.303SS..EExtended strand (participates in β ladder)trans-75.8143.4165.3-59179.1-173171.7-0.1108.6T180T180-R194 WeakPolarHBondContact CB-O 3.42Å; T180-R194 HydrophobicContact CG2-CB 4.19Å; T180-R194 VanDerWaalsContact CG2-O 3.25Å; T180-R194 WeakPolarHBondContact CG2-O 3.3Å; T180-R194 PolarHBondContact OG1-O 3.35Å
195V91.4Very high89.4Confident1 Ų153.2 Ų53.21%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-137.6-24-174.3-177.70000113L43 L45 I67 A193 N208 I209 A212L43-V195 PolarHBondContact O-N 3.16Å; L45-V195 HydrophobicContact CB-CG2 4.12Å; L45-V195 HydrophobicContact CD1-CG2 3.8Å; L45-V195 HydrophobicContact CG-CB 4.39Å; L45-V195 HydrophobicContact CG-CG2 3.7Å; I67-V195 WeakPolarHBondContact CG1-O 3.36Å; A193-V195 HydrophobicContact CB-CG2 4.49Å; V195-N208 HydrophobicContact CG1-CB 3.77Å; V195-N208 PolarHBondContact O-ND2 3Å; V195-I209 HydrophobicContact CG1-CG1 3.75Å; V195-A212 HydrophobicContact CG2-CB 4.42Å
196A90.9Very high89.7Confident0 Ų050.6 Ų50.60%028%0.283CS..EExtended strand (participates in β ladder)trans-158175.5176.600000112.1L43 M200 I205L43-A196 HydrophobicContact CB-CB 3.99Å; L43-A196 HydrophobicContact CD1-CB 3.82Å; L43-A196 HydrophobicContact CG-CB 4.46Å; L43-A196 PolarHBondContact N-O 3.23Å; L43-A196 PolarHBondContact O-N 3.03Å; A196-M200 HydrophobicContact CB-SD 3.66Å; A196-I205 HydrophobicContact CB-CB 4.25Å; A196-I205 HydrophobicContact CB-CD1 4.15Å; A196-I205 HydrophobicContact CB-CG1 3.63Å; A196-I205 HydrophobicContact CB-CG2 3.88Å
197H88.9Confident90Very high31 Ų3148.4 Ų48.414%0.14428%0.275CS..  trans-121166.3165.464.1-94.4000110.1I67 G199 M200I67-H197 PolarHBondContact O-ND1 3.04Å; H197-G199 PolarHBondContact CD2-N 3.06Å; H197-G199 VanDerWaalsContact CD2-N 3.31Å; H197-G199 PolarHBondContact O-N 3.06Å; H197-G199 VanDerWaalsContact O-N 3.14Å; H197-M200 WeakPolarHBondContact CE1-CG 3.29Å; H197-M200 WeakPolarHBondContact ND1-CG 3.47Å; H197-M200 WeakPolarHBondContact NE2-CG 3.32Å; H197-M200 PolarHBondContact O-N 3.11Å
198S86.8Confident90.5Very high39 Ų3938.8 Ų38.827%0.27323%0.233SC..THydrogen-bonded Turntrans-64.6-14.9-173.653.80000116Q41Q41-S198 PolarHBondContact N-OG 2.72Å; Q41-S198 PolarHBondContact O-N 3.2Å
199G84.8Confident90.8Very high62 Ų6237.4 Ų37.464%0.63922%0.219SC*.THydrogen-bonded Turntrans-90.9-9.8179.700000115.3H197H197-G199 PolarHBondContact CD2-N 3.06Å; H197-G199 VanDerWaalsContact CD2-N 3.31Å; H197-G199 PolarHBondContact O-N 3.06Å; H197-G199 VanDerWaalsContact O-N 3.14Å
200M88.8Confident91.1Very high14 Ų1437.6 Ų37.67%0.06922%0.217CC..SBendtrans-74.8154.1179.6-58-174.776.100112.1H65 G66 A196 H197 E204 I205H65-M200 HydrophobicContact CB-CE 3.55Å; G66-M200 WeakPolarHBondContact O-CE 3.35Å; A196-M200 HydrophobicContact CB-SD 3.66Å; H197-M200 WeakPolarHBondContact CE1-CG 3.29Å; H197-M200 WeakPolarHBondContact ND1-CG 3.47Å; H197-M200 WeakPolarHBondContact NE2-CG 3.32Å; H197-M200 PolarHBondContact O-N 3.11Å; M200-E204 HydrophobicContact CE-CB 4.39Å; M200-I205 HydrophobicContact CB-CD1 3.99Å; M200-I205 HydrophobicContact CB-CG1 3.71Å
201A91.5Very high91.2Very high49 Ų4936 Ų3641%0.40521%0.207SC..  trans-70.7144.7175.300000111.3D203 E204 I205A201-D203 PolarHBondContact O-N 3.05Å; A201-D203 VanDerWaalsContact O-N 3.11Å; A201-E204 HydrophobicContact CB-CG 3.99Å; A201-E204 PolarHBondContact N-OE2 2.74Å; A201-E204 WeakPolarHBondContact O-CB 3.11Å; A201-E204 PolarHBondContact O-N 3.06Å; A201-E204 VanDerWaalsContact O-N 3.14Å; A201-I205 VanDerWaalsContact O-CG1 3.29Å; A201-I205 WeakPolarHBondContact O-CG1 3.39Å; A201-I205 PolarHBondContact O-N 3.49Å
202A92.4Very high91.2Very high21 Ų2135.6 Ų35.617%0.17420%0.204CC..Hα-helixtrans-59.3-29.4-175.400000113.7V19 Q20 L23 A206V19-A202 HydrophobicContact CG1-CB 3.95Å; Q20-A202 HydrophobicContact CG-CB 4.31Å; L23-A202 HydrophobicContact CD1-CB 4.19Å; A202-A206 PolarHBondContact O-N 3.11Å
203D92.2Very high91.2Very high76 Ų7631.8 Ų31.841%0.40619%0.185SC..Hα-helixtrans-74.6-42.3176.9-65.7-60.7000112.8K16 A201 I205 A206 E207K16-D203 WeakPolarHBondContact CE-OD1 3.27Å; K16-D203 IonicContact NZ-OD1 2.67Å; K16-D203 PolarHBondContact NZ-OD1 2.95Å; A201-D203 PolarHBondContact O-N 3.05Å; A201-D203 VanDerWaalsContact O-N 3.11Å; D203-I205 VanDerWaalsContact C-N 3.28Å; D203-I205 PolarHBondContact O-N 3.31Å; D203-A206 WeakPolarHBondContact O-CB 3.32Å; D203-A206 PolarHBondContact O-N 3.02Å; D203-A206 VanDerWaalsContact O-N 3.15Å; D203-E207 PolarHBondContact O-N 2.81Å
204E92.8Very high91.1Very high71 Ų7135.3 Ų35.333%0.33221%0.209SC..Hα-helixtrans-60.2-40.3173.3-62.3169.4161.400111.1H65 M200 A201 A206 E207 N208H65-E204 HydrophobicContact CB-CB 4.26Å; H65-E204 PolarHBondContact CD2-O 3.35Å; M200-E204 HydrophobicContact CE-CB 4.39Å; A201-E204 HydrophobicContact CB-CG 3.99Å; A201-E204 PolarHBondContact N-OE2 2.74Å; A201-E204 WeakPolarHBondContact O-CB 3.11Å; A201-E204 PolarHBondContact O-N 3.06Å; A201-E204 VanDerWaalsContact O-N 3.14Å; E204-A206 VanDerWaalsContact C-N 3.34Å; E204-E207 PolarHBondContact O-N 2.78Å; E204-N208 WeakPolarHBondContact O-CB 3.26Å; E204-N208 PolarHBondContact O-N 3.38Å
205I93.1Very high91.1Very high1 Ų130 Ų301%0.00519%0.191CC..Hα-helixtrans-63.1-41.9176.2-61.3171.4000110.4V19 L23 L43 A196 M200 A201 D203 N208 I209V19-I205 HydrophobicContact CB-CG2 4.44Å; V19-I205 HydrophobicContact CG1-CB 3.97Å; V19-I205 HydrophobicContact CG1-CD1 3.81Å; V19-I205 HydrophobicContact CG1-CG1 4.49Å; V19-I205 HydrophobicContact CG1-CG2 3.84Å; V19-I205 HydrophobicContact CG2-CB 4.43Å; V19-I205 HydrophobicContact CG2-CG2 3.65Å; L23-I205 HydrophobicContact CD1-CD1 4.03Å; L23-I205 HydrophobicContact CD2-CD1 4.24Å; L23-I205 HydrophobicContact CG-CD1 4.47Å; L43-I205 HydrophobicContact CD1-CD1 3.81Å; L43-I205 HydrophobicContact CD1-CG2 4.48Å; A196-I205 HydrophobicContact CB-CB 4.25Å; A196-I205 HydrophobicContact CB-CD1 4.15Å; A196-I205 HydrophobicContact CB-CG1 3.63Å; A196-I205 HydrophobicContact CB-CG2 3.88Å; M200-I205 HydrophobicContact CB-CD1 3.99Å; M200-I205 HydrophobicContact CB-CG1 3.71Å; A201-I205 VanDerWaalsContact O-CG1 3.29Å; A201-I205 WeakPolarHBondContact O-CG1 3.39Å; A201-I205 PolarHBondContact O-N 3.49Å; D203-I205 VanDerWaalsContact C-N 3.28Å; D203-I205 PolarHBondContact O-N 3.31Å; I205-N208 PolarHBondContact O-N 3.01Å; I205-I209 HydrophobicContact CG2-CD1 3.93Å; I205-I209 HydrophobicContact CG2-CG1 4.49Å; I205-I209 VanDerWaalsContact O-CG1 3.24Å; I205-I209 WeakPolarHBondContact O-CG1 3.4Å; I205-I209 PolarHBondContact O-N 3.14Å
206A93.3Very high90.9Very high0 Ų030.1 Ų30.10%019%0.192CC..Hα-helixtrans-63.1-45.117700000111.4V15 K16 A202 D203 E204 N208 I209 D210V15-A206 HydrophobicContact CG1-CB 3.83Å; K16-A206 HydrophobicContact CG-CB 4.31Å; A202-A206 PolarHBondContact O-N 3.11Å; D203-A206 WeakPolarHBondContact O-CB 3.32Å; D203-A206 PolarHBondContact O-N 3.02Å; D203-A206 VanDerWaalsContact O-N 3.15Å; E204-A206 VanDerWaalsContact C-N 3.34Å; A206-N208 VanDerWaalsContact C-N 3.34Å; A206-N208 PolarHBondContact O-N 2.96Å; A206-I209 WeakPolarHBondContact O-CB 3.2Å; A206-I209 PolarHBondContact O-N 3.42Å; A206-I209 VanDerWaalsContact O-N 3.09Å; A206-D210 VanDerWaalsContact O-CG 3.31Å; A206-D210 PolarHBondContact O-N 3.35Å
207E93.1Very high90.7Very high77 Ų7731.8 Ų31.836%0.3620%0.202SC..Hα-helixtrans-64-37.5177-70.1173.3-175.400112.8R12 P64 H65 D203 E204 S211R12-E207 IonicContact NH2-OE1 2.7Å; R12-E207 PolarHBondContact NH2-OE1 2.88Å; P64-E207 HydrophobicContact CG-CB 4.41Å; H65-E207 IonicContact CD2-OE2 2.68Å; H65-E207 IonicContact CE1-OE2 3.15Å; H65-E207 IonicContact NE2-OE2 3.59Å; H65-E207 PolarHBondContact NE2-OE2 3.16Å; D203-E207 PolarHBondContact O-N 2.81Å; E204-E207 PolarHBondContact O-N 2.78Å; E207-S211 VanDerWaalsContact O-CB 3.28Å; E207-S211 WeakPolarHBondContact O-CB 3.41Å; E207-S211 PolarHBondContact O-N 3Å
208N94.1Very high90.6Very high0 Ų034.7 Ų34.70%022%0.222CC..Hα-helixtrans-63.3-39.9170.9-87.65.6000112.3L63 P64 H65 V195 E204 I205 A206 A212L63-N208 HydrophobicContact CD2-CB 4.23Å; L63-N208 WeakPolarHBondContact CD2-O 3.22Å; P64-N208 WeakPolarHBondContact CD-OD1 3.46Å; P64-N208 VanDerWaalsContact CG-OD1 3.29Å; P64-N208 WeakPolarHBondContact CG-OD1 3.45Å; H65-N208 WeakPolarHBondContact CB-OD1 3.27Å; H65-N208 PolarHBondContact N-OD1 2.92Å; H65-N208 PolarHBondContact O-ND2 2.92Å; H65-N208 PolarHBondContact O-OD1 3.24Å; V195-N208 HydrophobicContact CG1-CB 3.77Å; V195-N208 PolarHBondContact O-ND2 3Å; E204-N208 WeakPolarHBondContact O-CB 3.26Å; E204-N208 PolarHBondContact O-N 3.38Å; I205-N208 PolarHBondContact O-N 3.01Å; A206-N208 VanDerWaalsContact C-N 3.34Å; A206-N208 PolarHBondContact O-N 2.96Å; N208-A212 WeakPolarHBondContact O-CB 3.3Å; N208-A212 PolarHBondContact O-N 3.15Å
209I92.9Very high90.6Very high0 Ų037.3 Ų37.30%023%0.229CC..Hα-helixtrans-63.4-51.2175.8-72.2166.8000110L10 V15 V19 L45 V195 I205 A206 S211 A212 V213 L232 I242L10-I209 HydrophobicContact CD1-CG2 3.99Å; V15-I209 HydrophobicContact CG1-CB 4.36Å; V15-I209 HydrophobicContact CG1-CD1 3.79Å; V15-I209 HydrophobicContact CG1-CG2 4.19Å; V15-I209 HydrophobicContact CG2-CG2 4.44Å; V19-I209 HydrophobicContact CG2-CD1 3.82Å; L45-I209 HydrophobicContact CD1-CB 4.39Å; L45-I209 HydrophobicContact CD1-CG1 4.13Å; L45-I209 HydrophobicContact CD1-CG2 4.05Å; L45-I209 HydrophobicContact CD2-CD1 4.42Å; L45-I209 HydrophobicContact CD2-CG1 4.23Å; L45-I209 HydrophobicContact CG-CG1 4.4Å; V195-I209 HydrophobicContact CG1-CG1 3.75Å; I205-I209 HydrophobicContact CG2-CD1 3.93Å; I205-I209 HydrophobicContact CG2-CG1 4.49Å; I205-I209 VanDerWaalsContact O-CG1 3.24Å; I205-I209 WeakPolarHBondContact O-CG1 3.4Å; I205-I209 PolarHBondContact O-N 3.14Å; A206-I209 WeakPolarHBondContact O-CB 3.2Å; A206-I209 PolarHBondContact O-N 3.42Å; A206-I209 VanDerWaalsContact O-N 3.09Å; I209-S211 PolarHBondContact O-N 2.8Å; I209-A212 WeakPolarHBondContact O-CB 3.38Å; I209-A212 PolarHBondContact O-N 3.23Å; I209-A212 VanDerWaalsContact O-N 3.15Å; I209-V213 HydrophobicContact CG2-CG2 4.49Å; I209-V213 WeakPolarHBondContact O-CG2 3.37Å; I209-V213 PolarHBondContact O-N 2.98Å; I209-L232 HydrophobicContact CD1-CD1 4.34Å; I209-I242 HydrophobicContact CD1-CD1 4.2Å
210D92Very high90.5Very high51 Ų5135.3 Ų35.327%0.27320%0.203SC..Hα-helixtrans-61-46.4-177.8-64.3-25.6000111.3A206 A212 V213 S214A206-D210 VanDerWaalsContact O-CG 3.31Å; A206-D210 PolarHBondContact O-N 3.35Å; D210-A212 VanDerWaalsContact C-N 3.34Å; D210-A212 PolarHBondContact O-N 2.81Å; D210-V213 PolarHBondContact O-N 2.87Å; D210-S214 WeakPolarHBondContact O-CB 3.23Å; D210-S214 PolarHBondContact O-N 2.92Å
211S91.6Very high89.7Confident39 Ų3943.7 Ų43.727%0.27323%0.234SC..Hα-helixtrans-62-38.9175-170.90000112.7E207 I209 T215E207-S211 VanDerWaalsContact O-CB 3.28Å; E207-S211 WeakPolarHBondContact O-CB 3.41Å; E207-S211 PolarHBondContact O-N 3Å; I209-S211 PolarHBondContact O-N 2.8Å; S211-T215 VanDerWaalsContact O-CB 3.25Å; S211-T215 WeakPolarHBondContact O-CB 3.18Å; S211-T215 PolarHBondContact O-N 2.82Å; S211-T215 PolarHBondContact O-OG1 3.24Å
212A91.8Very high88.8Confident0 Ų043 Ų430%023%0.225CC..Hα-helixtrans-65.4-45.1176.800000112.2I61 L63 V195 N208 I209 D210 T215 I216I61-A212 HydrophobicContact CG2-CB 3.82Å; L63-A212 HydrophobicContact CD2-CB 4.14Å; V195-A212 HydrophobicContact CG2-CB 4.42Å; N208-A212 WeakPolarHBondContact O-CB 3.3Å; N208-A212 PolarHBondContact O-N 3.15Å; I209-A212 WeakPolarHBondContact O-CB 3.38Å; I209-A212 PolarHBondContact O-N 3.23Å; I209-A212 VanDerWaalsContact O-N 3.15Å; D210-A212 VanDerWaalsContact C-N 3.34Å; D210-A212 PolarHBondContact O-N 2.81Å; A212-T215 PolarHBondContact O-N 2.84Å; A212-I216 WeakPolarHBondContact O-CB 3.03Å; A212-I216 WeakPolarHBondContact O-CD1 3.02Å; A212-I216 WeakPolarHBondContact O-CG1 3.21Å; A212-I216 PolarHBondContact O-N 2.78Å
213V90.6Very high87.5Confident3 Ų350.2 Ų50.22%0.01825%0.252CS..Hα-helixtrans-67-48.3179.91770000111L8 L10 L45 F47 I209 D210 T215 I216 V217 I230L8-V213 HydrophobicContact CD2-CG1 4.32Å; L10-V213 HydrophobicContact CD1-CB 4.03Å; L10-V213 HydrophobicContact CD1-CG1 4.21Å; L10-V213 HydrophobicContact CD1-CG2 3.75Å; L10-V213 HydrophobicContact CG-CG1 4.47Å; L45-V213 HydrophobicContact CD1-CG2 4.3Å; F47-V213 HydrophobicContact CE1-CG2 3.92Å; F47-V213 HydrophobicContact CZ-CG2 4.23Å; I209-V213 HydrophobicContact CG2-CG2 4.49Å; I209-V213 WeakPolarHBondContact O-CG2 3.37Å; I209-V213 PolarHBondContact O-N 2.98Å; D210-V213 PolarHBondContact O-N 2.87Å; V213-T215 VanDerWaalsContact C-N 3.31Å; V213-T215 PolarHBondContact O-N 2.94Å; V213-I216 PolarHBondContact O-N 2.96Å; V213-I216 VanDerWaalsContact O-N 3.14Å; V213-V217 HydrophobicContact CG1-CG2 4.41Å; V213-V217 WeakPolarHBondContact O-CG2 3.43Å; V213-V217 PolarHBondContact O-N 2.87Å; V213-I230 HydrophobicContact CG1-CD1 4.07Å; V213-I230 HydrophobicContact CG2-CD1 3.95Å
214S89.9Confident86.2Confident76 Ų7648.7 Ų48.753%0.53126%0.255SS..Hα-helixtrans-55.9-44.8174.8175.60000112.1D210 I216 T218D210-S214 WeakPolarHBondContact O-CB 3.23Å; D210-S214 PolarHBondContact O-N 2.92Å; S214-I216 PolarHBondContact O-N 3.41Å; S214-T218 WeakPolarHBondContact O-CB 3.48Å; S214-T218 PolarHBondContact O-N 2.9Å; S214-T218 PolarHBondContact O-OG1 2.92Å
215T89.5Confident84.9Confident18 Ų1846.5 Ų46.511%0.1125%0.247CC..Hα-helixtrans-64.5-41.2177-64.70000112.8I61 S211 A212 V213 K219I61-T215 HydrophobicContact CB-CG2 4.44Å; I61-T215 HydrophobicContact CG1-CG2 4.24Å; I61-T215 HydrophobicContact CG2-CG2 4.45Å; S211-T215 VanDerWaalsContact O-CB 3.25Å; S211-T215 WeakPolarHBondContact O-CB 3.18Å; S211-T215 PolarHBondContact O-N 2.82Å; S211-T215 PolarHBondContact O-OG1 3.24Å; A212-T215 PolarHBondContact O-N 2.84Å; V213-T215 VanDerWaalsContact C-N 3.31Å; V213-T215 PolarHBondContact O-N 2.94Å; T215-K219 HydrophobicContact CG2-CD 3.63Å; T215-K219 HydrophobicContact CG2-CG 4.29Å; T215-K219 WeakPolarHBondContact O-CB 3.35Å; T215-K219 WeakPolarHBondContact O-CG 3.31Å; T215-K219 PolarHBondContact O-N 3.42Å
216I88.3Confident84Confident4 Ų446.9 Ų46.92%0.02125%0.249CC..Hα-helixtrans-64.1-52.6179-74.5164.7000109.6F47 I61 I182 A212 V213 S214 T218 K219 L220 I227F47-I216 HydrophobicContact CD1-CD1 4.44Å; F47-I216 HydrophobicContact CD2-CD1 4.12Å; F47-I216 HydrophobicContact CE1-CD1 3.79Å; F47-I216 HydrophobicContact CE2-CD1 3.42Å; F47-I216 VanDerWaalsContact CE2-CD1 3.42Å; F47-I216 HydrophobicContact CZ-CD1 3.23Å; I61-I216 HydrophobicContact CD1-CD1 3.71Å; I61-I216 HydrophobicContact CD1-CG1 3.73Å; I61-I216 HydrophobicContact CG1-CG1 4.26Å; I182-I216 HydrophobicContact CD1-CD1 4.18Å; I182-I216 HydrophobicContact CG2-CG1 4.31Å; A212-I216 WeakPolarHBondContact O-CB 3.03Å; A212-I216 WeakPolarHBondContact O-CD1 3.02Å; A212-I216 WeakPolarHBondContact O-CG1 3.21Å; A212-I216 PolarHBondContact O-N 2.78Å; V213-I216 PolarHBondContact O-N 2.96Å; V213-I216 VanDerWaalsContact O-N 3.14Å; S214-I216 PolarHBondContact O-N 3.41Å; I216-T218 VanDerWaalsContact C-N 3.28Å; I216-T218 PolarHBondContact O-N 2.65Å; I216-K219 PolarHBondContact O-N 2.79Å; I216-L220 WeakPolarHBondContact O-CB 3.44Å; I216-L220 PolarHBondContact O-N 2.79Å; I216-L220 VanDerWaalsContact O-N 3.12Å; I216-I227 HydrophobicContact CG2-CD1 4.44Å
217V85.9Confident83.6Confident35 Ų3547.1 Ų47.121%0.21225%0.25CC..Hα-helixtrans-54.3-45.9179173.30000110.8L8 V213 I227L8-V217 HydrophobicContact CB-CG2 4.22Å; L8-V217 HydrophobicContact CD1-CG2 4.36Å; V213-V217 HydrophobicContact CG1-CG2 4.41Å; V213-V217 WeakPolarHBondContact O-CG2 3.43Å; V213-V217 PolarHBondContact O-N 2.87Å; V217-I227 HydrophobicContact CG2-CD1 3.9Å
218T87.4Confident83.3Confident93 Ų9347.2 Ų47.257%0.57125%0.249SC*.Hα-helixtrans-67.1-40.1-179-55.90000113.9S214 I216S214-T218 WeakPolarHBondContact O-CB 3.48Å; S214-T218 PolarHBondContact O-N 2.9Å; S214-T218 PolarHBondContact O-OG1 2.92Å; I216-T218 VanDerWaalsContact C-N 3.28Å; I216-T218 PolarHBondContact O-N 2.65Å
219K86.4Confident83.1Confident93 Ų9349.1 Ų49.140%0.40426%0.259SS..Hα-helixtrans-91.4-4.3-172.8-67.2-179.1-172168.50114.1I59 R60 T215 I216 R221I59-K219 HydrophobicContact CD1-CB 4.12Å; I59-K219 HydrophobicContact CG1-CB 4.42Å; I59-K219 HydrophobicContact CG2-CB 3.65Å; I59-K219 HydrophobicContact CG2-CD 3.76Å; I59-K219 HydrophobicContact CG2-CG 4.33Å; R60-K219 PolarHBondContact O-NZ 3.07Å; T215-K219 HydrophobicContact CG2-CD 3.63Å; T215-K219 HydrophobicContact CG2-CG 4.29Å; T215-K219 WeakPolarHBondContact O-CB 3.35Å; T215-K219 WeakPolarHBondContact O-CG 3.31Å; T215-K219 PolarHBondContact O-N 3.42Å; I216-K219 PolarHBondContact O-N 2.79Å; K219-R221 PolarHBondContact O-N 2.94Å
220L82.9Confident83.1Confident20 Ų2049.1 Ų49.111%0.10526%0.259CS..  trans-75.5110.3-177.7-176.360000110.4I184 I216 V222 L226I184-L220 HydrophobicContact CD1-CD1 4.01Å; I216-L220 WeakPolarHBondContact O-CB 3.44Å; I216-L220 PolarHBondContact O-N 2.79Å; I216-L220 VanDerWaalsContact O-N 3.12Å; L220-V222 HydrophobicContact CD1-CG2 4.41Å; L220-V222 PolarHBondContact O-N 3.21Å; L220-L226 HydrophobicContact CD1-CD2 3.7Å; L220-L226 HydrophobicContact CD2-CB 3.78Å; L220-L226 HydrophobicContact CD2-CD2 3.54Å; L220-L226 HydrophobicContact CD2-CG 4.26Å; L220-L226 HydrophobicContact CG-CD2 3.81Å
221R72.8Confident83.2Confident191 Ų19148.5 Ų48.572%0.72125%0.254SS*.SBendtrans-67.324.1-178.6-59.9177.8-175.7-173.7-1.6115.8Q57 K219Q57-R221 VanDerWaalsContact OE1-CD 3.23Å; K219-R221 PolarHBondContact O-N 2.94Å
222V73Confident83.3Confident35 Ų3546.7 Ų46.721%0.21224%0.241CC..SBendtrans-122125.7-179.9-164.20000108.3P53 L220 L226P53-V222 HydrophobicContact CB-CG2 3.98Å; P53-V222 HydrophobicContact CG-CG2 4.02Å; L220-V222 HydrophobicContact CD1-CG2 4.41Å; L220-V222 PolarHBondContact O-N 3.21Å; V222-L226 HydrophobicContact CB-CD1 4.02Å; V222-L226 HydrophobicContact CB-CD2 4.07Å; V222-L226 HydrophobicContact CG1-CD1 3.66Å; V222-L226 HydrophobicContact CG2-CD2 4.06Å
223K63.5Low83.4Confident172 Ų17249 Ų4975%0.74825%0.251SS*.  trans-75.3138.8177.3-63.2-168.8166.1-141.20111.5D3D3-K223 IonicContact OD2-NZ 2.75Å; D3-K223 PolarHBondContact OD2-NZ 2.69Å
224G64.6Low83.3Confident44 Ų4448.9 Ų48.945%0.45425%0.251SS..SBendtrans95.4175.7173.300000115.1L226G224-L226 PolarHBondContact O-N 3.32Å
225P65.4Low83.1Confident25 Ų2552.4 Ų52.416%0.16226%0.259CS..  trans-65.598.3-173.122.9-33.6000111.3E6 H249E6-P225 VanDerWaalsContact OE2-CA 3.29Å; E6-P225 WeakPolarHBondContact OE2-CA 3.25Å; E6-P225 WeakPolarHBondContact OE2-CB 3.39Å; E6-P225 WeakPolarHBondContact OE2-CD 3.5Å; P225-H249 HydrophobicContact CB-CB 4.19Å; P225-H249 VanDerWaalsContact CB-ND1 3.27Å; P225-H249 WeakPolarHBondContact CB-ND1 3.3Å; P225-H249 HydrophobicContact CG-CB 4.17Å
226L75.7Confident82.8Confident9 Ų953.9 Ų53.95%0.04727%0.27CS..  trans-92.9-30-173.3-150.276.3000113.8L49 W50 K51 P53 L220 V222 G224L49-L226 CarbonylContact C-O 3.54Å; L49-L226 WeakPolarHBondContact CA-O 3.42Å; L49-L226 HydrophobicContact CB-CD2 4.35Å; L49-L226 HydrophobicContact CB-CG 4.27Å; L49-L226 HydrophobicContact CD1-CD2 3.86Å; L49-L226 HydrophobicContact CD2-CB 4.45Å; L49-L226 HydrophobicContact CD2-CD2 4Å; L49-L226 HydrophobicContact CD2-CG 4.16Å; L49-L226 HydrophobicContact CG-CD2 4.28Å; W50-L226 PolarHBondContact N-O 3.47Å; K51-L226 HydrophobicContact CB-CD1 3.79Å; P53-L226 HydrophobicContact CG-CD2 4.4Å; L220-L226 HydrophobicContact CD1-CD2 3.7Å; L220-L226 HydrophobicContact CD2-CB 3.78Å; L220-L226 HydrophobicContact CD2-CD2 3.54Å; L220-L226 HydrophobicContact CD2-CG 4.26Å; L220-L226 HydrophobicContact CG-CD2 3.81Å; V222-L226 HydrophobicContact CB-CD1 4.02Å; V222-L226 HydrophobicContact CB-CD2 4.07Å; V222-L226 HydrophobicContact CG1-CD1 3.66Å; V222-L226 HydrophobicContact CG2-CD2 4.06Å; G224-L226 PolarHBondContact O-N 3.32Å
227I85.3Confident82.8Confident5 Ų554.6 Ų54.63%0.02628%0.275CS..EExtended strand (participates in β ladder)trans-85.4120.7-172.2-57-176.7000109.3L8 F47 L49 I216 V217 I230 Y243 S245L8-I227 HydrophobicContact CD1-CB 3.99Å; L8-I227 HydrophobicContact CD1-CD1 4.15Å; L8-I227 HydrophobicContact CD1-CG1 4.38Å; F47-I227 HydrophobicContact CD1-CD1 4.2Å; L49-I227 HydrophobicContact CD2-CG1 4.05Å; I216-I227 HydrophobicContact CG2-CD1 4.44Å; V217-I227 HydrophobicContact CG2-CD1 3.9Å; I227-I230 HydrophobicContact CG2-CD1 4.01Å; I227-I230 HydrophobicContact CG2-CG1 3.53Å; I227-Y243 HydrophobicContact CG2-CD1 4.27Å; I227-Y243 HydrophobicContact CG2-CE1 4.33Å; I227-S245 WeakPolarHBondContact O-CB 3.5Å
228K86Confident83Confident79 Ų7958.3 Ų58.334%0.34330%0.298SS..EExtended strand (participates in β ladder)trans-89.2-52.2176.2-174.3-175.4178.7-1800111.5T48 W50 S245T48-K228 HydrophobicContact CG2-CB 4.43Å; T48-K228 HydrophobicContact CG2-CD 4.48Å; T48-K228 WeakPolarHBondContact O-CA 3.46Å; T48-K228 WeakPolarHBondContact O-CB 3.16Å; T48-K228 PolarHBondContact O-N 3.08Å; W50-K228 HydrophobicContact CD2-CB 3.97Å; W50-K228 HydrophobicContact CD2-CD 4.04Å; W50-K228 HydrophobicContact CD2-CG 3.91Å; W50-K228 VanDerWaalsContact CE2-CG 3.49Å; W50-K228 HydrophobicContact CE3-CD 4.01Å; W50-K228 HydrophobicContact CE3-CG 4.38Å; W50-K228 HydrophobicContact CG-CB 3.96Å; W50-K228 HydrophobicContact CG-CG 4.43Å; W50-K228 HydrophobicContact CH2-CD 3.98Å; W50-K228 HydrophobicContact CH2-CG 4.18Å; W50-K228 HydrophobicContact CZ2-CB 4.48Å; W50-K228 HydrophobicContact CZ2-CD 3.98Å; W50-K228 HydrophobicContact CZ2-CG 3.66Å; W50-K228 HydrophobicContact CZ3-CD 3.98Å; K228-S245 PolarHBondContact O-N 2.98Å; K228-S245 PolarHBondContact O-OG 2.83Å
229I90.3Very high83.3Confident39 Ų3955.6 Ų55.620%0.229%0.285CS..EExtended strand (participates in β ladder)trans-142.6141.6-178.9-41.3-176.1000109T48 H231 Y243 T244T48-I229 PolarHBondContact N-O 2.83Å; T48-I229 PolarHBondContact O-N 3.42Å; I229-H231 WeakPolarHBondContact CG2-CE1 3.15Å; I229-Y243 CarbonylContact C-O 3.6Å; I229-Y243 VanDerWaalsContact CA-O 3.27Å; I229-Y243 WeakPolarHBondContact CA-O 3.42Å; I229-Y243 VanDerWaalsContact CG2-O 3.27Å; I229-Y243 WeakPolarHBondContact CG2-O 3.4Å; I229-T244 HydrophobicContact CG2-CG2 3.99Å
230I93Very high83.6Confident0 Ų053.6 Ų53.60%028%0.278CS..EExtended strand (participates in β ladder)trans-115.6124167-51.6177.8000107.6L10 L45 F47 V213 I227 I242 Y243L10-I230 HydrophobicContact CD2-CD1 4.15Å; L45-I230 HydrophobicContact CD2-CG2 4.08Å; F47-I230 HydrophobicContact CD1-CD1 4.15Å; F47-I230 HydrophobicContact CD1-CG1 3.89Å; F47-I230 HydrophobicContact CD1-CG2 4.22Å; F47-I230 HydrophobicContact CE1-CD1 3.93Å; F47-I230 HydrophobicContact CE1-CG1 4.11Å; F47-I230 HydrophobicContact CE1-CG2 4Å; V213-I230 HydrophobicContact CG1-CD1 4.07Å; V213-I230 HydrophobicContact CG2-CD1 3.95Å; I227-I230 HydrophobicContact CG2-CD1 4.01Å; I227-I230 HydrophobicContact CG2-CG1 3.53Å; I230-I242 PolarHBondContact O-N 3.21Å; I230-Y243 HydrophobicContact CD1-CD1 4.24Å; I230-Y243 HydrophobicContact CD1-CG 4.39Å; I230-Y243 HydrophobicContact CG1-CD1 4.11Å; I230-Y243 PolarHBondContact N-O 3.31Å; I230-Y243 PolarHBondContact O-N 2.83Å
231H93.7Very high84Confident39 Ų3955.7 Ų55.718%0.18129%0.293CS..EExtended strand (participates in β ladder)trans-115.2144.4171.7-50.787.8000111.1L45 L46 I229 A239 L240L45-H231 CarbonylContact C-O 3.58Å; L45-H231 WeakPolarHBondContact CA-O 3.31Å; L46-H231 HydrophobicContact CB-CB 4.36Å; L46-H231 PolarHBondContact N-O 2.94Å; L46-H231 PolarHBondContact O-N 3.04Å; I229-H231 WeakPolarHBondContact CG2-CE1 3.15Å; H231-A239 HydrophobicContact CB-CB 3.91Å; H231-L240 CarbonylContact C-O 3.45Å; H231-L240 WeakPolarHBondContact CA-O 3.33Å
232L93.9Very high84.9Confident1 Ų146.8 Ų46.81%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-98.4132.8168.2-179.468.8000109.8A18 V19 L22 L45 I209 A239 L240 I242A18-L232 HydrophobicContact CB-CD2 4.48Å; V19-L232 HydrophobicContact CB-CD2 4.5Å; V19-L232 HydrophobicContact CG2-CD2 3.74Å; L22-L232 HydrophobicContact CD2-CD2 3.85Å; L22-L232 HydrophobicContact CD2-CG 3.67Å; L45-L232 HydrophobicContact CD2-CB 4.15Å; L45-L232 HydrophobicContact CD2-CD1 3.78Å; I209-L232 HydrophobicContact CD1-CD1 4.34Å; L232-A239 CarbonylContact O-C 3.6Å; L232-A239 WeakPolarHBondContact O-CA 3.13Å; L232-L240 PolarHBondContact N-O 2.9Å; L232-L240 PolarHBondContact O-N 3.46Å; L232-I242 HydrophobicContact CB-CD1 3.65Å; L232-I242 HydrophobicContact CB-CG1 4.19Å; L232-I242 HydrophobicContact CD2-CD1 4.2Å; L232-I242 HydrophobicContact CG-CD1 4.42Å
233K92.5Very high85.7Confident48 Ų4847.1 Ų47.121%0.20926%0.258CS..EExtended strand (participates in β ladder)trans-151.1150.317950165.6-77.81360112.6S44 L46 M192 A239S44-K233 PolarHBondContact N-O 3.35Å; S44-K233 PolarHBondContact O-N 2.83Å; S44-K233 VanDerWaalsContact O-O 3.06Å; L46-K233 HydrophobicContact CB-CD 4.33Å; L46-K233 HydrophobicContact CB-CG 4.45Å; L46-K233 HydrophobicContact CD2-CD 4.34Å; M192-K233 HydrophobicContact CE-CD 3.89Å; K233-A239 HydrophobicContact CB-CB 4.17Å
234S89.4Confident86.8Confident1 Ų142.9 Ų42.91%0.00725%0.246CC..  trans-91.2-169161.383.60000110.8L26 S236 S237L26-S234 WeakPolarHBondContact CD2-OG 3.42Å; S234-S236 PolarHBondContact OG-N 3.29Å; S234-S236 VanDerWaalsContact OG-N 3.09Å; S234-S236 PolarHBondContact OG-OG 3.14Å; S234-S237 PolarHBondContact N-OG 3.08Å; S234-S237 WeakPolarHBondContact OG-CB 3.49Å; S234-S237 PolarHBondContact OG-N 2.82Å; S234-S237 VanDerWaalsContact OG-N 3.17Å; S234-S237 PolarHBondContact OG-OG 2.97Å
235Q84.9Confident87.5Confident149 Ų14941.5 Ų41.570%0.69623%0.229SC*.SBendtrans-68.8-33.7170.3-54-165.943.800112.5
236S83.8Confident87.6Confident50 Ų5045.8 Ų45.835%0.3525%0.251SS..SBendtrans-114.63.4-166.863.60000114.3K29 Q41 S234K29-S236 PolarHBondContact NZ-O 3.12Å; Q41-S236 PolarHBondContact OE1-OG 3.01Å; S234-S236 PolarHBondContact OG-N 3.29Å; S234-S236 VanDerWaalsContact OG-N 3.09Å; S234-S236 PolarHBondContact OG-OG 3.14Å
237S88.1Confident86.7Confident19 Ų1952.6 Ų52.613%0.13329%0.285CS..SBendtrans-105.2163.9-176.582.40000114.4L22 S234L22-S237 WeakPolarHBondContact CD1-OG 3.3Å; S234-S237 PolarHBondContact N-OG 3.08Å; S234-S237 WeakPolarHBondContact OG-CB 3.49Å; S234-S237 PolarHBondContact OG-N 2.82Å; S234-S237 VanDerWaalsContact OG-N 3.17Å; S234-S237 PolarHBondContact OG-OG 2.97Å
238V90.1Very high85.3Confident112 Ų11258.2 Ų58.268%0.67932%0.315SS*.  trans-65.2155.5160.2-175.70000109.6
239A93.1Very high83.8Confident37 Ų3756.3 Ų56.331%0.30631%0.307SS..  trans-92.2114.9177.500000110.7H231 L232 K233H231-A239 HydrophobicContact CB-CB 3.91Å; L232-A239 CarbonylContact O-C 3.6Å; L232-A239 WeakPolarHBondContact O-CA 3.13Å; K233-A239 HydrophobicContact CB-CB 4.17Å
240L93.4Very high82Confident50 Ų5056.9 Ų56.926%0.26231%0.31SS..EExtended strand (participates in β ladder)trans-90.1121.2-178.3-58.4179.8000110.1A18 A21 L22 H231 L232 I242A18-L240 HydrophobicContact CB-CB 4.29Å; A18-L240 HydrophobicContact CB-CD1 4.21Å; A18-L240 WeakPolarHBondContact O-CD1 3.25Å; A21-L240 HydrophobicContact CB-CD1 4.39Å; L22-L240 HydrophobicContact CB-CD1 4.1Å; H231-L240 CarbonylContact C-O 3.45Å; H231-L240 WeakPolarHBondContact CA-O 3.33Å; L232-L240 PolarHBondContact N-O 2.9Å; L232-L240 PolarHBondContact O-N 3.46Å; L240-I242 PolarHBondContact O-N 2.89Å
241P91.8Very high80.2Confident65 Ų6560.2 Ų60.242%0.42233%0.33SS..EExtended strand (participates in β ladder)trans-70.7123.5177.428.7-33000110.9Q14Q14-P241 PolarHBondContact NE2-O 2.92Å
242I91.6Very high78.6Confident3 Ų362.5 Ų62.52%0.01534%0.344CS..EExtended strand (participates in β ladder)trans-96.1-35.4173.9-72.6-176.1000111L10 Q14 V15 A18 L45 I209 I230 L232 L240L10-I242 HydrophobicContact CD2-CG2 4.36Å; Q14-I242 VanDerWaalsContact CD-O 3.25Å; Q14-I242 PolarHBondContact NE2-O 3.4Å; Q14-I242 PolarHBondContact OE1-O 3.33Å; V15-I242 HydrophobicContact CG2-CG2 3.56Å; A18-I242 HydrophobicContact CB-CD1 4.42Å; A18-I242 HydrophobicContact CB-CG1 4.03Å; L45-I242 HydrophobicContact CD2-CD1 4.22Å; I209-I242 HydrophobicContact CD1-CD1 4.2Å; I230-I242 PolarHBondContact O-N 3.21Å; L232-I242 HydrophobicContact CB-CD1 3.65Å; L232-I242 HydrophobicContact CB-CG1 4.19Å; L232-I242 HydrophobicContact CD2-CD1 4.2Å; L232-I242 HydrophobicContact CG-CD1 4.42Å; L240-I242 PolarHBondContact O-N 2.89Å
243Y89.5Confident77Confident43 Ų4363.5 Ų63.517%0.16935%0.349CS..EExtended strand (participates in β ladder)trans-144.8138.8-177.4171.1-92.7000110.7L8 L10 I227 I229 I230L8-Y243 HydrophobicContact CD1-CE1 4.07Å; L8-Y243 HydrophobicContact CD2-CD1 4.1Å; L8-Y243 HydrophobicContact CD2-CD2 3.76Å; L8-Y243 HydrophobicContact CD2-CE1 3.95Å; L8-Y243 HydrophobicContact CD2-CE2 3.59Å; L8-Y243 HydrophobicContact CD2-CG 4.01Å; L8-Y243 HydrophobicContact CG-CE1 4.32Å; L8-Y243 HydrophobicContact CG-CE2 4.14Å; L10-Y243 HydrophobicContact CD2-CD2 4.09Å; L10-Y243 HydrophobicContact CD2-CG 4.08Å; I227-Y243 HydrophobicContact CG2-CD1 4.27Å; I227-Y243 HydrophobicContact CG2-CE1 4.33Å; I229-Y243 CarbonylContact C-O 3.6Å; I229-Y243 VanDerWaalsContact CA-O 3.27Å; I229-Y243 WeakPolarHBondContact CA-O 3.42Å; I229-Y243 VanDerWaalsContact CG2-O 3.27Å; I229-Y243 WeakPolarHBondContact CG2-O 3.4Å; I230-Y243 HydrophobicContact CD1-CD1 4.24Å; I230-Y243 HydrophobicContact CD1-CG 4.39Å; I230-Y243 HydrophobicContact CG1-CD1 4.11Å; I230-Y243 PolarHBondContact N-O 3.31Å; I230-Y243 PolarHBondContact O-N 2.83Å
244T87.1Confident75.5Confident82 Ų8265.3 Ų65.350%0.50336%0.358SS..EExtended strand (participates in β ladder)trans-131.4123.9171.747.20000108.8I229 N246I229-T244 HydrophobicContact CG2-CG2 3.99Å; T244-N246 PolarHBondContact O-N 2.87Å
245S79.6Confident74.3Confident15 Ų1569.8 Ų69.811%0.10538%0.379CS..  trans-69.1125.4174.667.20000110.2W50 I227 K228W50-S245 PolarHBondContact NE1-OG 3.48Å; I227-S245 WeakPolarHBondContact O-CB 3.5Å; K228-S245 PolarHBondContact O-N 2.98Å; K228-S245 PolarHBondContact O-OG 2.83Å
246N66.3Low73.4Confident116 Ų11666.3 Ų66.362%0.6237%0.368SS*.  trans-62.2156176.4-68.2-24.2000111.8T244 N248 H249T244-N246 PolarHBondContact O-N 2.87Å; N246-N248 PolarHBondContact O-N 3.34Å; N246-H249 PolarHBondContact O-N 3.38Å; N246-H249 VanDerWaalsContact O-N 3.14Å
247M57.8Low72.7Confident152 Ų15269.1 Ų69.175%0.74937%0.374SS*.THydrogen-bonded Turntrans-55.4-22.3-176.2-83.5175.855.600114.5H249 L250M247-H249 PolarHBondContact O-N 2.93Å; M247-H249 VanDerWaalsContact O-N 3.17Å; M247-L250 WeakPolarHBondContact O-CA 3.44Å; M247-L250 VanDerWaalsContact O-CB 3.25Å; M247-L250 WeakPolarHBondContact O-CB 3.42Å; M247-L250 PolarHBondContact O-N 3.41Å
248N55.6Low72Confident122 Ų12274.9 Ų74.965%0.65240%0.397SS*.Hα-helixtrans-62.6-20.6179-59.46.3000113.6N246 L250 T251N246-N248 PolarHBondContact O-N 3.34Å; N248-L250 VanDerWaalsContact C-N 3.34Å; N248-T251 PolarHBondContact O-OG1 2.85Å
249H53.4Low70.9Confident39 Ų3975.9 Ų75.918%0.18139%0.394CS..Hα-helixtrans-77.1-22.1171-63.9-83.4000112.5E6 P225 N246 M247 L253E6-H249 IonicContact OE1-CE1 3.3Å; E6-H249 PolarHBondContact OE1-CE1 3.22Å; E6-H249 VanDerWaalsContact OE1-CE1 3.3Å; E6-H249 IonicContact OE1-ND1 3.54Å; P225-H249 HydrophobicContact CB-CB 4.19Å; P225-H249 VanDerWaalsContact CB-ND1 3.27Å; P225-H249 WeakPolarHBondContact CB-ND1 3.3Å; P225-H249 HydrophobicContact CG-CB 4.17Å; N246-H249 PolarHBondContact O-N 3.38Å; N246-H249 VanDerWaalsContact O-N 3.14Å; M247-H249 PolarHBondContact O-N 2.93Å; M247-H249 VanDerWaalsContact O-N 3.17Å; H249-L253 WeakPolarHBondContact O-CB 3.41Å; H249-L253 WeakPolarHBondContact O-CD1 3.37Å; H249-L253 WeakPolarHBondContact O-CG 3.38Å; H249-L253 PolarHBondContact O-N 3.11Å; H249-L253 VanDerWaalsContact O-N 3.07Å
250L54.6Low69.8Low51 Ų5176.5 Ų76.527%0.26740%0.399SS..Hα-helixtrans-71.9-40.8178.2-175.159.5000111.3W50 M247 N248 L253 E254W50-L250 HydrophobicContact CE3-CD1 4.37Å; W50-L250 HydrophobicContact CH2-CB 4.45Å; W50-L250 HydrophobicContact CH2-CD1 4.06Å; W50-L250 HydrophobicContact CH2-CD2 4.41Å; W50-L250 HydrophobicContact CZ3-CD1 3.84Å; M247-L250 WeakPolarHBondContact O-CA 3.44Å; M247-L250 VanDerWaalsContact O-CB 3.25Å; M247-L250 WeakPolarHBondContact O-CB 3.42Å; M247-L250 PolarHBondContact O-N 3.41Å; N248-L250 VanDerWaalsContact C-N 3.34Å; L250-L253 CarbonylContact O-C 3.53Å; L250-L253 PolarHBondContact O-N 2.96Å; L250-E254 WeakPolarHBondContact O-CG 3.4Å; L250-E254 PolarHBondContact O-N 3.04Å
251T54.4Low68.9Low70 Ų7082.4 Ų82.443%0.42942%0.418SS..Hα-helixtrans-62.2-47.517650.50000111.4N248 L253 E254 E255N248-T251 PolarHBondContact O-OG1 2.85Å; T251-L253 VanDerWaalsContact C-N 3.29Å; T251-L253 PolarHBondContact O-N 3.44Å; T251-E254 CarbonylContact O-C 3.56Å; T251-E254 WeakPolarHBondContact O-CA 3.47Å; T251-E254 WeakPolarHBondContact O-CB 3.42Å; T251-E254 PolarHBondContact O-N 3.31Å; T251-E255 WeakPolarHBondContact O-CG 3.32Å; T251-E255 PolarHBondContact O-N 2.97Å
252L60.3Low68Low88 Ų8882.2 Ų82.246%0.46142%0.422SS..Hα-helixtrans-58.4-38.9173.1-65.7172.7000112.5E254 T256L252-E254 VanDerWaalsContact C-N 3.29Å; L252-E254 PolarHBondContact O-N 3.48Å; L252-T256 WeakPolarHBondContact O-CB 3.43Å; L252-T256 WeakPolarHBondContact O-CG2 3.21Å; L252-T256 PolarHBondContact O-N 3.48Å; L252-T256 PolarHBondContact O-OG1 3.29Å
253L59.3Low67Low21 Ų2185 Ų8511%0.1145%0.445CS..Hα-helixtrans-71.8-19.5174.7-74.4171.1000113.5W50 H249 L250 T251 T256 K257W50-L253 HydrophobicContact CB-CD1 3.75Å; W50-L253 HydrophobicContact CD2-CD1 4.13Å; W50-L253 HydrophobicContact CG-CD1 3.68Å; H249-L253 WeakPolarHBondContact O-CB 3.41Å; H249-L253 WeakPolarHBondContact O-CD1 3.37Å; H249-L253 WeakPolarHBondContact O-CG 3.38Å; H249-L253 PolarHBondContact O-N 3.11Å; H249-L253 VanDerWaalsContact O-N 3.07Å; L250-L253 CarbonylContact O-C 3.53Å; L250-L253 PolarHBondContact O-N 2.96Å; T251-L253 VanDerWaalsContact C-N 3.29Å; T251-L253 PolarHBondContact O-N 3.44Å; L253-T256 WeakPolarHBondContact CA-OG1 3.44Å; L253-T256 PolarHBondContact O-OG1 3.2Å; L253-K257 WeakPolarHBondContact O-CD 3.28Å; L253-K257 WeakPolarHBondContact O-CE 3.34Å; L253-K257 WeakPolarHBondContact O-CG 3.33Å
254E62.1Low66Low86 Ų8689.1 Ų89.140%0.40247%0.468SS..Hα-helixtrans-87.6-40.5173.2-76.1-178.1-174.300112.2L250 T251 L252 K257 K258L250-E254 WeakPolarHBondContact O-CG 3.4Å; L250-E254 PolarHBondContact O-N 3.04Å; T251-E254 CarbonylContact O-C 3.56Å; T251-E254 WeakPolarHBondContact O-CA 3.47Å; T251-E254 WeakPolarHBondContact O-CB 3.42Å; T251-E254 PolarHBondContact O-N 3.31Å; L252-E254 VanDerWaalsContact C-N 3.29Å; L252-E254 PolarHBondContact O-N 3.48Å; E254-K257 CarbonylContact O-C 3.52Å; E254-K257 WeakPolarHBondContact O-CB 3.37Å; E254-K257 PolarHBondContact O-N 2.96Å; E254-K257 VanDerWaalsContact O-N 3.14Å; E254-K258 WeakPolarHBondContact O-CG 3.46Å; E254-K258 PolarHBondContact O-N 3.33Å
255E64.3Low65.1Low95 Ų9588.8 Ų88.844%0.44446%0.463SS..Hα-helixtrans-60.1-48173.1-73.1166.2-173.400111.2T251 K257 K258 Q259T251-E255 WeakPolarHBondContact O-CG 3.32Å; T251-E255 PolarHBondContact O-N 2.97Å; E255-K257 VanDerWaalsContact C-N 3.26Å; E255-K257 PolarHBondContact O-N 3.33Å; E255-K258 WeakPolarHBondContact O-CB 3.27Å; E255-K258 PolarHBondContact O-N 3.06Å; E255-K258 VanDerWaalsContact O-N 3.08Å; E255-Q259 WeakPolarHBondContact O-CB 3.48Å; E255-Q259 WeakPolarHBondContact O-CG 3.29Å; E255-Q259 PolarHBondContact O-N 3.38Å
256T65.1Low64.4Low77 Ų7790.9 Ų90.947%0.47248%0.481SS..Hα-helixtrans-63.1-29.1174.4520000113.1L252 L253 A260L252-T256 WeakPolarHBondContact O-CB 3.43Å; L252-T256 WeakPolarHBondContact O-CG2 3.21Å; L252-T256 PolarHBondContact O-N 3.48Å; L252-T256 PolarHBondContact O-OG1 3.29Å; L253-T256 WeakPolarHBondContact CA-OG1 3.44Å; L253-T256 PolarHBondContact O-OG1 3.2Å; T256-A260 WeakPolarHBondContact O-CB 3.25Å; T256-A260 PolarHBondContact O-N 2.84Å
257K70.1Confident64.3Low108 Ų10893.3 Ų93.347%0.4749%0.486SS..Hα-helixtrans-72.4-40.9170.4-72.9164.9-160.8155.60111.8L253 E254 E255 A260 R261L253-K257 WeakPolarHBondContact O-CD 3.28Å; L253-K257 WeakPolarHBondContact O-CE 3.34Å; L253-K257 WeakPolarHBondContact O-CG 3.33Å; E254-K257 CarbonylContact O-C 3.52Å; E254-K257 WeakPolarHBondContact O-CB 3.37Å; E254-K257 PolarHBondContact O-N 2.96Å; E254-K257 VanDerWaalsContact O-N 3.14Å; E255-K257 VanDerWaalsContact C-N 3.26Å; E255-K257 PolarHBondContact O-N 3.33Å; K257-A260 PolarHBondContact O-N 3.47Å; K257-R261 WeakPolarHBondContact O-CG 3.27Å; K257-R261 PolarHBondContact O-N 3.43Å
258K72.1Confident64.4Low141 Ų14192.1 Ų92.161%0.61348%0.477SS*.Hα-helixtrans-62.6-48.8176.7-74.6173179.4174.40110.5E254 E255 A260 R261 A262E254-K258 WeakPolarHBondContact O-CG 3.46Å; E254-K258 PolarHBondContact O-N 3.33Å; E255-K258 WeakPolarHBondContact O-CB 3.27Å; E255-K258 PolarHBondContact O-N 3.06Å; E255-K258 VanDerWaalsContact O-N 3.08Å; K258-A260 PolarHBondContact O-N 3.17Å; K258-R261 PolarHBondContact O-N 2.9Å; K258-A262 WeakPolarHBondContact O-CB 3.41Å; K258-A262 PolarHBondContact O-N 2.85Å
259Q68.4Low64.4Low132 Ų13290.3 Ų90.362%0.61747%0.47SS*.Hα-helixtrans-59.8-44174.7-69171.80.700112.1E255 R261 A262 A263E255-Q259 WeakPolarHBondContact O-CB 3.48Å; E255-Q259 WeakPolarHBondContact O-CG 3.29Å; E255-Q259 PolarHBondContact O-N 3.38Å; Q259-R261 VanDerWaalsContact C-N 3.33Å; Q259-R261 PolarHBondContact O-N 2.81Å; Q259-A262 PolarHBondContact O-N 2.91Å; Q259-A263 WeakPolarHBondContact O-CB 3.16Å; Q259-A263 PolarHBondContact O-N 3.39Å
260A69.9Low64.5Low51 Ų5191 Ų9142%0.42148%0.483SS..Hα-helixtrans-65.4-33.217700000113.3T256 K257 K258 M264T256-A260 WeakPolarHBondContact O-CB 3.25Å; T256-A260 PolarHBondContact O-N 2.84Å; K257-A260 PolarHBondContact O-N 3.47Å; K258-A260 PolarHBondContact O-N 3.17Å; A260-M264 WeakPolarHBondContact O-CG 3.5Å; A260-M264 PolarHBondContact O-N 3.09Å
261R74.6Confident64.4Low173 Ų17392.4 Ų92.465%0.65350%0.497SS*.Hα-helixtrans-68.9-52172.4-74.4172.7178.4-176.6-1.3110.7K257 K258 Q259 A263 M264 D265K257-R261 WeakPolarHBondContact O-CG 3.27Å; K257-R261 PolarHBondContact O-N 3.43Å; K258-R261 PolarHBondContact O-N 2.9Å; Q259-R261 VanDerWaalsContact C-N 3.33Å; Q259-R261 PolarHBondContact O-N 2.81Å; R261-A263 VanDerWaalsContact C-N 3.27Å; R261-A263 PolarHBondContact O-N 2.87Å; R261-M264 WeakPolarHBondContact O-CA 3.35Å; R261-M264 WeakPolarHBondContact O-CB 3.46Å; R261-M264 PolarHBondContact O-N 2.91Å; R261-D265 PolarHBondContact O-N 3.34Å
262A72.8Confident64.2Low62 Ų6296.5 Ų96.551%0.51251%0.509SS..Hα-helixtrans-53.7-42.3176.700000112.5K258 Q259 M264 D265 A266K258-A262 WeakPolarHBondContact O-CB 3.41Å; K258-A262 PolarHBondContact O-N 2.85Å; Q259-A262 PolarHBondContact O-N 2.91Å; A262-M264 PolarHBondContact O-N 3.27Å; A262-D265 PolarHBondContact O-N 2.9Å; A262-A266 VanDerWaalsContact O-CB 3.3Å; A262-A266 WeakPolarHBondContact O-CB 3.4Å; A262-A266 PolarHBondContact O-N 2.97Å
263A70.4Confident63.6Low61 Ų6199.1 Ų99.150%0.50452%0.519SS..Hα-helixtrans-68.8-28.8175.800000114Q259 R261 K267Q259-A263 WeakPolarHBondContact O-CB 3.16Å; Q259-A263 PolarHBondContact O-N 3.39Å; R261-A263 VanDerWaalsContact C-N 3.27Å; R261-A263 PolarHBondContact O-N 2.87Å; A263-K267 PolarHBondContact O-N 2.87Å
264M67.3Low62.8Low129 Ų129107.1 Ų107.164%0.63555%0.552SS**Hα-helixtrans-74.5-39.1172.1-76.3-177.7-177.200111.7A260 R261 A262 K267 K268A260-M264 WeakPolarHBondContact O-CG 3.5Å; A260-M264 PolarHBondContact O-N 3.09Å; R261-M264 WeakPolarHBondContact O-CA 3.35Å; R261-M264 WeakPolarHBondContact O-CB 3.46Å; R261-M264 PolarHBondContact O-N 2.91Å; A262-M264 PolarHBondContact O-N 3.27Å; M264-K267 PolarHBondContact O-N 3.17Å; M264-K268 PolarHBondContact O-N 2.86Å; M264-K268 VanDerWaalsContact O-N 3.12Å
265D69Low61.8Low76 Ų76107.4 Ų107.441%0.40656%0.564SS.*Hα-helixtrans-74.4-37.1-178.8-62.7-40000111.4R261 A262 K267 K268 T269R261-D265 PolarHBondContact O-N 3.34Å; A262-D265 PolarHBondContact O-N 2.9Å; D265-K267 VanDerWaalsContact C-N 3.29Å; D265-K267 PolarHBondContact O-N 3.14Å; D265-K268 WeakPolarHBondContact O-CB 3.48Å; D265-K268 PolarHBondContact O-N 2.96Å; D265-K268 IonicContact OD1-NZ 2.83Å; D265-K268 PolarHBondContact OD1-NZ 3.3Å; D265-T269 PolarHBondContact O-N 3.08Å; D265-T269 PolarHBondContact O-OG1 3.06Å
266A65.9Low60.5Low58 Ų58108.1 Ų108.148%0.47958%0.575SS.*Hα-helixtrans-60.1-34.6168.200000113.2A262 T269 A270A262-A266 VanDerWaalsContact O-CB 3.3Å; A262-A266 WeakPolarHBondContact O-CB 3.4Å; A262-A266 PolarHBondContact O-N 2.97Å; A266-T269 WeakPolarHBondContact CA-OG1 3.45Å; A266-T269 PolarHBondContact O-OG1 3.38Å; A266-A270 WeakPolarHBondContact O-CB 3.31Å; A266-A270 PolarHBondContact O-N 3.14Å; A266-A270 VanDerWaalsContact O-N 3.16Å
267K63.4Low59.3Low167 Ų167113.1 Ų113.173%0.72659%0.593SS**Hα-helixtrans-71.1-30.5172.8-95.7-174.9172.6-178.80113.1A263 M264 D265 S271A263-K267 PolarHBondContact O-N 2.87Å; M264-K267 PolarHBondContact O-N 3.17Å; D265-K267 VanDerWaalsContact C-N 3.29Å; D265-K267 PolarHBondContact O-N 3.14Å; K267-S271 PolarHBondContact O-N 2.92Å; K267-S271 VanDerWaalsContact O-N 3.11Å; K267-S271 PolarHBondContact O-OG 2.92Å
268K59.1Low57.7Low127 Ų127117 Ų11755%0.55261%0.609SS**Hα-helixtrans-70.5-43.6174.8-70.4172.7-168.8155.30111.6M264 D265 S271 K272M264-K268 PolarHBondContact O-N 2.86Å; M264-K268 VanDerWaalsContact O-N 3.12Å; D265-K268 WeakPolarHBondContact O-CB 3.48Å; D265-K268 PolarHBondContact O-N 2.96Å; D265-K268 IonicContact OD1-NZ 2.83Å; D265-K268 PolarHBondContact OD1-NZ 3.3Å; K268-S271 WeakPolarHBondContact CA-OG 3.45Å; K268-S271 PolarHBondContact O-N 3.23Å; K268-S271 PolarHBondContact O-OG 3.39Å; K268-K272 PolarHBondContact O-N 2.99Å
269T56.4Low55.9Low85 Ų85118 Ų11852%0.52162%0.621SS.*Hα-helixtrans-61.9-44.5175.437.60000111.8D265 A266 S271 K272 Q273D265-T269 PolarHBondContact O-N 3.08Å; D265-T269 PolarHBondContact O-OG1 3.06Å; A266-T269 WeakPolarHBondContact CA-OG1 3.45Å; A266-T269 PolarHBondContact O-OG1 3.38Å; T269-S271 VanDerWaalsContact C-N 3.28Å; T269-S271 PolarHBondContact O-N 3.16Å; T269-K272 PolarHBondContact O-N 3.14Å; T269-Q273 PolarHBondContact O-N 3.03Å; T269-Q273 VanDerWaalsContact O-N 3.11Å
270A55.2Low54.1Low54 Ų54118.9 Ų118.945%0.44664%0.636SS.*Hα-helixtrans-59.8-35.7173.900000113.2A266A266-A270 WeakPolarHBondContact O-CB 3.31Å; A266-A270 PolarHBondContact O-N 3.14Å; A266-A270 VanDerWaalsContact O-N 3.16Å
271S52.8Low52Low79 Ų79120.1 Ų120.155%0.55265%0.654SS**Hα-helixtrans-71.2-28.7174.771.10000113.8K267 K268 T269K267-S271 PolarHBondContact O-N 2.92Å; K267-S271 VanDerWaalsContact O-N 3.11Å; K267-S271 PolarHBondContact O-OG 2.92Å; K268-S271 WeakPolarHBondContact CA-OG 3.45Å; K268-S271 PolarHBondContact O-N 3.23Å; K268-S271 PolarHBondContact O-OG 3.39Å; T269-S271 VanDerWaalsContact C-N 3.28Å; T269-S271 PolarHBondContact O-N 3.16Å
272K50.2Low49.8Very low157 Ų157116.8 Ų116.868%0.68366%0.664SS**Hα-helixtrans-74.5-33.3175.4-95.6-170.9168.9-169.50113K268 T269 S275 T276K268-K272 PolarHBondContact O-N 2.99Å; T269-K272 PolarHBondContact O-N 3.14Å; K272-S275 PolarHBondContact O-N 3.23Å; K272-S275 PolarHBondContact O-OG 3.44Å; K272-T276 PolarHBondContact O-OG1 3.01Å; K272-T276 VanDerWaalsContact O-OG1 3.06Å
273Q47.8Very low47.6Very low143 Ų143122.6 Ų122.667%0.66868%0.68SS**Hα-helixtrans-69.3-32.3177.9-75.9174.3-52.200112.5T269 S275 T276T269-Q273 PolarHBondContact O-N 3.03Å; T269-Q273 VanDerWaalsContact O-N 3.11Å; Q273-S275 PolarHBondContact O-N 3.31Å; Q273-T276 PolarHBondContact O-N 2.94Å; Q273-T276 PolarHBondContact O-OG1 3.18Å
274K43.1Very low45.6Very low189 Ų189124.9 Ų124.982%0.82269%0.688SS**THydrogen-bonded Turntrans-70.1-7.9174.7-93.7-168.7173.2-1720115.4
275S39.8Very low43.8Very low91 Ų91126.4 Ų126.464%0.63669%0.693SS**THydrogen-bonded Turntrans-96.4-9.4173.442.10000114.3K272 Q273K272-S275 PolarHBondContact O-N 3.23Å; K272-S275 PolarHBondContact O-OG 3.44Å; Q273-S275 PolarHBondContact O-N 3.31Å
276T38.4Very low42.1Very low111 Ų111131.6 Ų131.668%0.68172%0.715SS**SBendtrans-98.6-6.6-171.5-10.90000114.5K272 Q273K272-T276 PolarHBondContact O-OG1 3.01Å; K272-T276 VanDerWaalsContact O-OG1 3.06Å; Q273-T276 PolarHBondContact O-N 2.94Å; Q273-T276 PolarHBondContact O-OG1 3.18Å
277E38.8Very low40.4Very low181 Ų181137.9 Ų137.985%0.84674%0.735SS**SBendtrans-99.717.7-170-138.8170-143.100113.5
278K37.1Very low39.1Very low189 Ų189137.6 Ų137.682%0.82274%0.739SS**SBendtrans-131.17-171-126.8-171.9-176.3-168.40118
279N33.8Very low38.3Very low162 Ų162136.7 Ų136.787%0.86675%0.746SS**  trans-134.296.2170.5-919.1000110.2
280T30.1Very low37Very low151 Ų151141.9 Ų141.993%0.92676%0.764SS**  trans-134.1116.3162.245.90000107.7
281G25.5Very low36.1Very low77 Ų77146.6 Ų146.679%0.79478%0.782SS**  trans166.8104.7179.200000113.3
282A28.3Very low35Very low104 Ų104148.8 Ų148.886%0.8679%0.791SS**  trans72.6119.8166.500000119.4
283E27.3Very low34.2Very low184 Ų184146.9 Ų146.986%0.8680%0.795SS**  trans-64.4177.1168-60.3136.1162.600111.3
284V28.8Very low33.4Very low108 Ų108148.1 Ų148.166%0.65580%0.804SS**  -165.6147.453.3171.70000111.5
285E29Very low33Very low162 Ų162145.1 Ų145.176%0.75780%0.801SS**  trans49.5120.6158.8-69.1148.8-161.700122.2
286E33.3Very low32.8Very low184 Ų184146.1 Ų146.186%0.8681%0.806SS**  73.3136.296.7-61.1-165.3159.600114.1
287E31.3Very low32.4Very low191 Ų191147.2 Ų147.289%0.89382%0.815SS**  cis-134.5-168.933.6-73.7-176.1106.400115
288I34.7Very low32Very low160 Ų160144.3 Ų144.382%0.82181%0.814SS**  trans-103.2-161.5-163.8-26.2179.8000112.9
289P43.2Very low31.7Very low108 Ų108144.6 Ų144.670%0.70182%0.816SS**  -121.1171.4-11942.2-26000117.1
290Q29.8Very low31.5Very low194 Ų194146.8 Ų146.891%0.90782%0.818SS**  trans-159.9151.7141.7-114.9166.937.600115
291L35.4Very low31.4Very low154 Ų154144.1 Ų144.181%0.80681%0.811SS**  trans-77.2167.6171.8-63.199.7000109.7
292V30Very low31.4Very low124 Ų124150 Ų15075%0.75281%0.814SS**  cis-152.7-164.939-141.80000111.4
293P33.5Very low31.4Very low117 Ų117152.5 Ų152.576%0.7681%0.813SS**  trans-102.1150.6-130.238.9-23.6000116
294I31.3Very low31.4Very low169 Ų169153.3 Ų153.387%0.86782%0.817SS**  trans-118.3130.8176.3-63.2176.3000112.1
295V33.8Very low31.4Very low126 Ų126157.4 Ų157.476%0.76483%0.825SS**PPolyproline II helixtrans-74.4142.7177.3175.20000110.6
296P35.3Very low31.3Very low113 Ų113157.2 Ų157.273%0.73483%0.825SS**PPolyproline II helixtrans-71147.4-169.326.8-36.5000115.1
297P30.6Very low30.9Very low133 Ų133154.2 Ų154.286%0.86482%0.819SS**PPolyproline II helixtrans-84.1172-17434.4-37.1000115.3
298S30.5Very low30.8Very low120 Ų120154.1 Ų154.184%0.83982%0.816SS**PPolyproline II helixtrans-95.2165.9-16453.60000115.9
299K31.1Very low30.3Very low196 Ų196156.6 Ų156.685%0.85282%0.821SS**PPolyproline II helixtrans-61.6149.8178.5-57.8165.5177.5170.80114
300K28Very low29.4Very low208 Ų208155 Ų15590%0.90482%0.824SS**  167.7158.9129.8-94.9164.7-174.3-178.10109.7
301A29.7Very low29.2Very low95 Ų95153.9 Ų153.979%0.78582%0.823SS**  cis-156.9177.9-8.500000109.7
302K24.4Very low28.7Very low199 Ų199153.1 Ų153.187%0.86582%0.816SS**  trans-120.8148.9161.2-170.7172.7179.7-179.80109.6
303L28.2Very low28.4Very low158 Ų158154.9 Ų154.983%0.82781%0.813SS**  trans-49149.8-174.5-77.663.2000115.9
304E26.8Very low28.3Very low201 Ų201153.9 Ų153.994%0.93982%0.815SS**  -155.2178120-115.3170.3-16300112.9
305K28.8Very low28.2Very low193 Ų193151.9 Ų151.984%0.83981%0.812SS**  trans-99.2176.9-144.8-117.4178.5178.5-177.20117.5
306Q27.5Very low28Very low159 Ų159153.2 Ų153.274%0.74382%0.815SS**  trans-99.5178-175.1-43.4103.7-65.600113.6
307T25Very low27.8Very low121 Ų121153 Ų15374%0.74281%0.814SS**  cis-161.1141.513.4-21.20000114.3
308K29.2Very low27.7Very low189 Ų189153.5 Ų153.582%0.82282%0.815SS**  trans39139.3143.9-72.7178.3-179.9178.30125.9
309K25Very low27.4Very low212 Ų212151.6 Ų151.692%0.92281%0.814SS**  trans91.4126.3139-86.3-174.1174.7-170.70121.9
310G23.5Very low27.2Very low75 Ų75146.2 Ų146.277%0.77381%0.814SS**  trans157.4131.6158.900000115.2
311L26.3Very low27.2Very low169 Ų169146.5 Ų146.589%0.88582%0.815SS**  trans-68.3174.8-178.5-56.589.4000113.7
312E24.8Very low27Very low139 Ų139151.5 Ų151.565%0.6582%0.82SS**  cis-164.2172.113.5-145.8-163.3150.100111.8
313K24Very low27.2Very low161 Ų161146.5 Ų146.570%0.782%0.815SS**  trans69.793.9156.8-74166.6179.1129.60123.2
314A29.8Very low27.4Very low96 Ų96145.4 Ų145.479%0.79382%0.817SS**  26.5166117.300000123.4
315P30.9Very low27.5Very low126 Ų126142 Ų14282%0.81881%0.806SS**  -135.9177-53.340.3-24.7000113.4
316N28.8Very low27.7Very low154 Ų154138.5 Ų138.582%0.82480%0.803SS**  trans-112.9138.6172.5-167.939.5000110
317P31.8Very low27.7Very low109 Ų109137.2 Ų137.271%0.70881%0.806SS**  trans-83.4136.7-178.130.5-32.7000114.4
318T26.8Very low27.7Very low143 Ų143135.3 Ų135.388%0.87781%0.81SS**  trans-52161.7154.244.20000112.2
319G25.1Very low27.6Very low80 Ų80130.1 Ų130.183%0.82581%0.811SS**  cis142.7141.110.200000109.6
320G26.3Very low27.8Very low83 Ų83130.3 Ų130.386%0.85681%0.811SS**  trans-152149.5-174.400000113.6
321K28.3Very low28.1Very low214 Ų214136.9 Ų136.993%0.9382%0.819SS**  trans-105.5147.5-155.3-68170.5177.3171.50116.9
322K25.5Very low28.3Very low201 Ų201133.4 Ų133.487%0.87481%0.814SS**  trans4.1125.9153.4-74.7-179.4170.8-178.40122.2
323A28.4Very low28.6Very low93 Ų93133 Ų13377%0.76982%0.824SS**  47.2142.7112.500000121.1
324P33.1Very low29Very low135 Ų135132 Ų13288%0.87783%0.826SS**  -142.5-17255.539.9-19.3000118.5
325N29Very low29.3Very low130 Ų130132.9 Ų132.970%0.69582%0.823SS**  trans-84.9166-162.6-164.147.8000115.4
326P32.1Very low29.3Very low120 Ų120133.4 Ų133.478%0.77983%0.825SS**  -137.8170.2118.639.6-29.6000116.3
327T27.8Very low29.3Very low132 Ų132130 Ų13081%0.8183%0.826SS**  trans-100.4151.1-159-31.40000114.1
328G25.5Very low29Very low81 Ų81128.4 Ų128.484%0.83583%0.829SS**  trans108.2120144.200000118.2
329G27.9Very low29.2Very low80 Ų80131.8 Ų131.883%0.82583%0.832SS**  trans-176.6127.6170.100000111
330K29.2Very low29.4Very low215 Ų215138.1 Ų138.194%0.93584%0.836SS**  trans-88.7156.5-167.2-68.6175.2178.8173.90113.6
331K29.3Very low29.7Very low213 Ų213138.6 Ų138.693%0.92683%0.833SS**  trans-58.8150.6170.6-75.3178.2172.7177.10112.6
332A29.3Very low29.9Very low96 Ų96134.4 Ų134.479%0.79383%0.827SS**  trans-125.2157157.800000110.6
333P31.8Very low30.2Very low131 Ų131131.4 Ų131.485%0.85182%0.821SS**  trans-107.7175.9-161.510.513000115.3
334N32.8Very low30.6Very low141 Ų141132.6 Ų132.675%0.75482%0.821SS**  trans-65.5139178.5-173.858000113.5
335P35.4Very low30.6Very low113 Ų113132.5 Ų132.573%0.73482%0.818SS**  trans-87.7151.717534.6-33.9000113.2
336T31.3Very low30.6Very low138 Ų138130.2 Ų130.285%0.84783%0.825SS**  trans-130.8131.6178.2-47.70000110.8
337G28Very low30.5Very low83 Ų83128.3 Ų128.386%0.85683%0.827SS**  trans90133.3157.400000117.6
338G26.8Very low30.7Very low74 Ų74131.9 Ų131.976%0.76383%0.831SS**  trans166.978.7170.600000118.7
339K31.1Very low31Very low215 Ų215138.4 Ų138.494%0.93584%0.836SS**  trans74.2138.1152.1-58.9-179.1178.5179.30120.5
340K29.1Very low31.3Very low212 Ų212139 Ų13992%0.92283%0.834SS**  trans-73.9151.8171.9-65.1173.2174.81770111.3
341A32.1Very low31.7Very low94 Ų94134.9 Ų134.978%0.77783%0.829SS**  trans-115.9149.9160.400000110.4
342P33.1Very low31.9Very low126 Ų126131 Ų13182%0.81882%0.818SS**  trans-83.9161.2-174.5-7.826.9000114
343N31.6Very low32.2Very low138 Ų138132.3 Ų132.374%0.73882%0.818SS**  trans-77.1132.1174.1-174.935.6000111.6T345N343-T345 PolarHBondContact O-N 3.46Å
344P35.9Very low32.4Very low118 Ų118132.1 Ų132.177%0.76682%0.815SS**  trans-83104.4173.231.5-32000111.7
345T33.4Very low32.3Very low133 Ų133129.2 Ų129.282%0.81682%0.818SS**  trans-84.5132.5169-45.70000110.6N343N343-T345 PolarHBondContact O-N 3.46Å
346G29.6Very low32Very low82 Ų82127.4 Ų127.485%0.84582%0.82SS**  trans105106159.800000116.4
347G29.8Very low32.1Very low79 Ų79131 Ų13181%0.81482%0.824SS**  trans-162.377.7178.400000113.1
348K32.4Very low32.3Very low207 Ų207136.9 Ų136.990%0.983%0.826SS**  trans5.2130168-62.4178.2179.7178.70119.5
349K32Very low32.6Very low218 Ų218138 Ų13895%0.94883%0.828SS**  trans-51.6142163.7-70.1176.3174.4176.90112
350A34.1Very low32.9Very low93 Ų93133.7 Ų133.777%0.76982%0.822SS**  trans-118.2146.415900000109.9
351P36.2Very low33.1Very low128 Ų128130 Ų13083%0.83181%0.812SS**  trans-82.8159.6-172.6-9.728.2000114.2
352N33.1Very low33.3Very low133 Ų133131.4 Ų131.471%0.71181%0.814SS**  trans-71130.2175.5-177.937000112.2T354N352-T354 PolarHBondContact O-N 3.1Å
353P37.5Very low33.3Very low122 Ų122131.8 Ų131.879%0.79281%0.813SS**  trans-81.2102.9170.731.4-31.8000111.2
354T34.8Very low33.2Very low128 Ų128128.9 Ų128.979%0.78582%0.816SS**  trans-88.8130.6172.8-48.30000111.1N352N352-T354 PolarHBondContact O-N 3.1Å
355G30.8Very low32.8Very low79 Ų79126.8 Ų126.881%0.81482%0.816SS**  trans103.1119.8160.800000116.2
356G29.4Very low32.8Very low75 Ų75130.8 Ų130.877%0.77382%0.822SS**  trans-170.238.2-172.900000118.6
357K33.4Very low33Very low213 Ų213137.2 Ų137.293%0.92683%0.827SS**  trans63.8127163.3-60.5-179.1179.1178.40119.4
358K31.4Very low33.2Very low208 Ų208138.3 Ų138.390%0.90483%0.828SS**PPolyproline II helixtrans-65.6140.5165.1-68.4173.1174.9175.60111
359A33.4Very low33.3Very low96 Ų96137.4 Ų137.479%0.79383%0.829SS**PPolyproline II helixtrans-91.6133.5162.900000110.4
360P37.2Very low33.3Very low125 Ų125137.8 Ų137.881%0.81283%0.825SS**PPolyproline II helixtrans-78.6153.1176.1-12.829000113.6
361N32.9Very low33.3Very low136 Ų136145 Ų14573%0.72783%0.832SS**PPolyproline II helixtrans-73128.9175.6-174.931000111.6T363N361-T363 PolarHBondContact O-N 3.32Å
362P36.9Very low33.2Very low123 Ų123148 Ų14880%0.79983%0.832SS**  trans-73.6115.1178.328.9-33.9000111.6
363T32.6Very low33.3Very low133 Ų133147.3 Ų147.382%0.81684%0.838SS**  trans-117.2126173.9-46.30000108.7N361N361-T363 PolarHBondContact O-N 3.32Å
364G30.3Very low33.2Very low77 Ų77151.2 Ų151.279%0.79484%0.842SS**  trans132.179.6166.400000118.1
365G28Very low33.3Very low74 Ų74156.9 Ų156.976%0.76385%0.85SS**  57.1124.612900000122.7
366K33.4Very low33.8Very low217 Ų217159.5 Ų159.594%0.94385%0.85SS**  -152.5131.8123.7-110.6164.9-171.6177.30111.2
367K33.3Very low34.3Very low217 Ų217166 Ų16694%0.94386%0.857SS**  trans-73.9131.6178.1-69.8173176.6172.60109.9
368A34.3Very low34.7Very low103 Ų103165.9 Ų165.985%0.85186%0.856SS**  trans-104.9124.2165.800000110.1
369M33.4Very low35.3Very low187 Ų187160.7 Ų160.792%0.92185%0.852SS**  trans-80.9121.6-171.9-168.6179.1-169.800111.5R371M369-R371 PolarHBondContact O-N 2.94Å
370R32.6Very low35.9Very low227 Ų227164.6 Ų164.686%0.85788%0.884SS**  trans-82.599.2-176.5-155.1167.389-16510.6110.9K372R370-K372 PolarHBondContact O-N 3.36Å
371R34.5Very low35.9Very low244 Ų244166.6 Ų166.692%0.92189%0.888SS**PPolyproline II helixtrans-60.8116.5173.7-70.5176.282176.54.9109.9M369M369-R371 PolarHBondContact O-N 2.94Å
372K33.7Very low36Very low191 Ų191168.2 Ų168.283%0.8390%0.896SS**PPolyproline II helixtrans-85.2117.4165.9-73-178.5177178.70108.7R370R370-K372 PolarHBondContact O-N 3.36Å
373S36.3Very low36Very low119 Ų119170.7 Ų170.783%0.83290%0.902SS**PPolyproline II helixtrans-79120.1164.343.40000109.6
374K35.3Very low36.2Very low203 Ų203172.9 Ų172.988%0.88391%0.907SS**PPolyproline II helixtrans-73.6125.3166.7-76.8-179.61751790108
375R37Very low36.5Very low248 Ų248178.9 Ų178.994%0.93691%0.914SS**  trans-100.8102.4169.6-167.9176-176.8-175.90.7107.7
376T40.2Very low37.1Very low134 Ų134185.9 Ų185.982%0.82292%0.924SS**PPolyproline II helixtrans-70.7125174.733.80000109.7
377K39.7Very low37.4Very low211 Ų211183.6 Ų183.692%0.91792%0.923SS**PPolyproline II helixtrans-84.3126.9159.3-79.3-174.9172-173.50107.3
378K41.7Very low37.7Very low210 Ų210181.1 Ų181.191%0.91392%0.921SS**PPolyproline II helixtrans-102.1126.7159.2-163.6177.2-176.6-175.20106.1
379A45.3Very low38Very low99 Ų99187.6 Ų187.682%0.81893%0.927SS**PPolyproline II helixtrans-80.4149.517600000110.3
380A45.6Very low38.4Very low178 Ų178187.6 Ų187.6100%1.47193%0.927SS**  trans-133.90153.900000105.4

Retrieved 380 of 380 residues in 269.1 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).