A0A087XM19_POEFO Loading...

Ras association domain family member 4a

AlphaFold DB , UniProt , Accession A0A087XM19, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 309 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.5Very low68.1Low243 Ų243100.6 Ų100.6100%1.19749%0.488SS*.  0121.30-66.1-159.4178.900106.6
2C40.8Very low68.9Low101 Ų101106.4 Ų106.468%0.68251%0.513SS*.  trans-89.1110.5-177.7-169.60000107.5R4C2-R4 PolarHBondContact O-N 3.38Å
3E51.1Low69.8Low185 Ų185111.5 Ų111.586%0.86454%0.535SS*.  trans-62.2109.2173.4-73.6-179.4163.500107.9Q5E3-Q5 PolarHBondContact O-N 2.93Å
4R60.5Low70.9Confident201 Ų201112 Ų11276%0.75853%0.534SS*.  trans-65.5120.2177.8-72.3178.3179.1165.9-0.9107.9C2 T6C2-R4 PolarHBondContact O-N 3.38Å; R4-T6 PolarHBondContact O-N 2.78Å; R4-T6 VanDerWaalsContact O-N 3.12Å
5Q65.1Low72.1Confident66 Ų66110.9 Ų110.931%0.30853%0.532SS..  trans-67.1116.5179-162170.65.800109.3E3 F7 G46E3-Q5 PolarHBondContact O-N 2.93Å; Q5-F7 VanDerWaalsContact C-N 3.29Å; Q5-G46 PolarHBondContact N-O 3.3Å
6T78.8Confident73.1Confident82 Ų82105.4 Ų105.450%0.50351%0.506SS..  trans-88.84.3-17847.20000113R4 K18R4-T6 PolarHBondContact O-N 2.78Å; R4-T6 VanDerWaalsContact O-N 3.12Å; T6-K18 VanDerWaalsContact O-CB 3.27Å; T6-K18 WeakPolarHBondContact O-CB 3.33Å; T6-K18 PolarHBondContact O-N 2.95Å
7F81.6Confident74.1Confident88 Ų88101.8 Ų101.839%0.38649%0.493SS..EExtended strand (participates in β ladder)trans-134.8150.4-174.7-54.4-84.1000112.3Q5 L15 I16 P17Q5-F7 VanDerWaalsContact C-N 3.29Å; F7-L15 HydrophobicContact CB-CB 4.15Å; F7-L15 HydrophobicContact CD1-CB 4.44Å; F7-L15 HydrophobicContact CG-CB 4.44Å; F7-I16 CarbonylContact C-O 3.46Å; F7-I16 WeakPolarHBondContact CA-O 3.48Å; F7-P17 HydrophobicContact CD1-CB 4.5Å; F7-P17 HydrophobicContact CD1-CG 4.4Å; F7-P17 HydrophobicContact CE1-CG 4.28Å
8V84.4Confident74.9Confident4 Ų498.9 Ų98.92%0.02448%0.478CS..EExtended strand (participates in β ladder)trans-108.8135.1170.4-179.30000108.1I16 I21 L48 V226V8-I16 PolarHBondContact N-O 3.49Å; V8-I16 PolarHBondContact O-N 3.34Å; V8-I21 HydrophobicContact CB-CG1 4.09Å; V8-I21 HydrophobicContact CG2-CB 4.36Å; V8-I21 HydrophobicContact CG2-CG1 4.21Å; V8-I21 HydrophobicContact CG2-CG2 4.23Å; V8-L48 HydrophobicContact CG2-CB 4.29Å; V8-L48 HydrophobicContact CG2-CD2 4.09Å; V8-V226 HydrophobicContact CG1-CG1 4.35Å; V8-V226 HydrophobicContact CG1-CG2 4Å
9K84.4Confident75.7Confident102 Ų10297.6 Ų97.644%0.44348%0.48SS..EExtended strand (participates in β ladder)trans-73.9131.3178.4-66.4-175.4175.8-175.30110L15 H223K9-L15 HydrophobicContact CB-CD2 4.39Å; K9-L15 HydrophobicContact CG-CD2 3.73Å; K9-H223 PolarHBondContact O-CD2 2.85Å
10L83.8Confident76.5Confident28 Ų2896.6 Ų96.615%0.14748%0.476CS..SBendtrans-100-42.7167.6176.863.5000110.7K14 I16 E222 H223 V226 A227 L230L10-K14 HydrophobicContact CB-CB 4.12Å; L10-K14 HydrophobicContact CD2-CB 4.26Å; L10-K14 HydrophobicContact CD2-CD 4.21Å; L10-K14 PolarHBondContact N-O 3.45Å; L10-I16 HydrophobicContact CB-CD1 3.84Å; L10-I16 HydrophobicContact CB-CG1 4.23Å; L10-I16 HydrophobicContact CD1-CD1 4.46Å; L10-I16 HydrophobicContact CD2-CD1 4.19Å; L10-I16 HydrophobicContact CG-CD1 4.37Å; L10-E222 VanDerWaalsContact O-CA 3.29Å; L10-E222 WeakPolarHBondContact O-CA 3.4Å; L10-H223 PolarHBondContact O-N 2.83Å; L10-V226 HydrophobicContact CD1-CB 4.18Å; L10-V226 HydrophobicContact CD1-CG1 3.9Å; L10-A227 HydrophobicContact CD1-CB 4.4Å; L10-L230 HydrophobicContact CD1-CD1 3.5Å; L10-L230 HydrophobicContact CD2-CD1 3.67Å; L10-L230 HydrophobicContact CG-CD1 4.19Å
11S82.3Confident77.2Confident7 Ų792 Ų925%0.04945%0.454CS..SBendtrans-146.5179.2173.676.40000108.9E13 K14 D221S11-E13 PolarHBondContact O-N 3.33Å; S11-E13 PolarHBondContact OG-N 3.48Å; S11-K14 PolarHBondContact N-O 3.08Å; S11-K14 PolarHBondContact O-N 2.98Å; S11-K14 WeakPolarHBondContact OG-CB 3.35Å; S11-K14 PolarHBondContact OG-N 3.26Å; S11-K14 VanDerWaalsContact OG-N 3.13Å; S11-D221 WeakPolarHBondContact CB-OD2 3.39Å
12E77.5Confident79.9Confident170 Ų17083 Ų8379%0.79441%0.41SS*.SBendtrans-59-33.2176.4-83.3178.6-172.300112.7D221E12-D221 HydrophobicContact CB-CB 4.45Å; E12-D221 HydrophobicContact CG-CB 3.98Å; E12-D221 PolarHBondContact N-OD2 2.86Å
13E80.8Confident82.4Confident172 Ų17280.7 Ų80.780%0.80440%0.395SS*.SBendtrans-97.2-19.9-177.2-61178.617200113.7S11S11-E13 PolarHBondContact O-N 3.33Å; S11-E13 PolarHBondContact OG-N 3.48Å
14K85.8Confident84.5Confident119 Ų11974.8 Ų74.852%0.51737%0.369SS..  trans-112.6120.4-172-64.5178.9-177.8174.10111.7L10 S11L10-K14 HydrophobicContact CB-CB 4.12Å; L10-K14 HydrophobicContact CD2-CB 4.26Å; L10-K14 HydrophobicContact CD2-CD 4.21Å; L10-K14 PolarHBondContact N-O 3.45Å; S11-K14 PolarHBondContact N-O 3.08Å; S11-K14 PolarHBondContact O-N 2.98Å; S11-K14 WeakPolarHBondContact OG-CB 3.35Å; S11-K14 PolarHBondContact OG-N 3.26Å; S11-K14 VanDerWaalsContact OG-N 3.13Å
15L88Confident86.1Confident96 Ų9665.6 Ų65.650%0.50334%0.335SS..EExtended strand (participates in β ladder)trans-115.3142.1176.5-61177.2000110.1F7 K9F7-L15 HydrophobicContact CB-CB 4.15Å; F7-L15 HydrophobicContact CD1-CB 4.44Å; F7-L15 HydrophobicContact CG-CB 4.44Å; K9-L15 HydrophobicContact CB-CD2 4.39Å; K9-L15 HydrophobicContact CG-CD2 3.73Å
16I87.8Confident87.5Confident22 Ų2270.1 Ų70.111%0.11335%0.349CS..EExtended strand (participates in β ladder)trans-118.6131.6179.6-53.4168.4000109.2F7 V8 L10 D20 I21 V226 L230F7-I16 CarbonylContact C-O 3.46Å; F7-I16 WeakPolarHBondContact CA-O 3.48Å; V8-I16 PolarHBondContact N-O 3.49Å; V8-I16 PolarHBondContact O-N 3.34Å; L10-I16 HydrophobicContact CB-CD1 3.84Å; L10-I16 HydrophobicContact CB-CG1 4.23Å; L10-I16 HydrophobicContact CD1-CD1 4.46Å; L10-I16 HydrophobicContact CD2-CD1 4.19Å; L10-I16 HydrophobicContact CG-CD1 4.37Å; I16-D20 HydrophobicContact CG2-CB 4.11Å; I16-I21 HydrophobicContact CB-CD1 4.16Å; I16-I21 HydrophobicContact CB-CG1 3.9Å; I16-I21 HydrophobicContact CD1-CD1 3.82Å; I16-I21 HydrophobicContact CD1-CG1 4.45Å; I16-I21 HydrophobicContact CG2-CD1 3.75Å; I16-I21 HydrophobicContact CG2-CG1 3.59Å; I16-V226 HydrophobicContact CD1-CG1 3.96Å; I16-L230 HydrophobicContact CD1-CD1 3.7Å; I16-L230 HydrophobicContact CD1-CD2 3.94Å; I16-L230 HydrophobicContact CD1-CG 4.19Å
17P90.1Very high88.3Confident44 Ų4470.9 Ų70.929%0.28635%0.354SS..EExtended strand (participates in β ladder)trans-55.6140.7175.7-24.934.5000112.6F7 S19 D20 I21F7-P17 HydrophobicContact CD1-CB 4.5Å; F7-P17 HydrophobicContact CD1-CG 4.4Å; F7-P17 HydrophobicContact CE1-CG 4.28Å; P17-S19 PolarHBondContact O-N 3.34Å; P17-D20 HydrophobicContact CB-CB 4.41Å; P17-D20 WeakPolarHBondContact CG-OD2 3.41Å; P17-D20 PolarHBondContact O-N 3.49Å; P17-I21 PolarHBondContact O-N 3.41Å; P17-I21 VanDerWaalsContact O-N 3.16Å
18K88.9Confident88.9Confident51 Ų5166.9 Ų66.922%0.22234%0.336CS..Hα-helixtrans-56.7-36.9177.9-170.4174.7-179.7168.10111.4T6 D20 L22 E43 L48T6-K18 VanDerWaalsContact O-CB 3.27Å; T6-K18 WeakPolarHBondContact O-CB 3.33Å; T6-K18 PolarHBondContact O-N 2.95Å; K18-D20 VanDerWaalsContact C-N 3.31Å; K18-D20 PolarHBondContact O-N 3.04Å; K18-L22 HydrophobicContact CG-CD1 3.94Å; K18-L22 HydrophobicContact CG-CG 4.39Å; K18-L22 VanDerWaalsContact O-CB 3.3Å; K18-L22 WeakPolarHBondContact O-CB 3.33Å; K18-L22 WeakPolarHBondContact O-CD1 3.5Å; K18-L22 WeakPolarHBondContact O-CG 3.35Å; K18-L22 PolarHBondContact O-N 3.48Å; K18-E43 IonicContact NZ-OE1 3.63Å; K18-E43 PolarHBondContact NZ-OE1 3.38Å; K18-L48 HydrophobicContact CD-CB 4.37Å; K18-L48 HydrophobicContact CD-CD2 4.38Å; K18-L48 HydrophobicContact CG-CB 4.48Å; K18-L48 HydrophobicContact CG-CD2 3.73Å
19S90.2Very high89.5Confident73 Ų7368.3 Ų68.351%0.5134%0.344SS..Hα-helixtrans-57.3-44.2175.450.10000112.6P17 L22 S23P17-S19 PolarHBondContact O-N 3.34Å; S19-L22 PolarHBondContact O-N 3.02Å; S19-S23 WeakPolarHBondContact O-CB 3.36Å; S19-S23 PolarHBondContact O-N 3.4Å
20D91.9Very high90Very high78 Ų7867.4 Ų67.442%0.41735%0.349SS..Hα-helixtrans-76.2-44.5-170.7-59.3-1.5000109.5I16 P17 K18 L22 S23 L24I16-D20 HydrophobicContact CG2-CB 4.11Å; P17-D20 HydrophobicContact CB-CB 4.41Å; P17-D20 WeakPolarHBondContact CG-OD2 3.41Å; P17-D20 PolarHBondContact O-N 3.49Å; K18-D20 VanDerWaalsContact C-N 3.31Å; K18-D20 PolarHBondContact O-N 3.04Å; D20-L22 PolarHBondContact O-N 3.15Å; D20-S23 WeakPolarHBondContact O-CB 3.38Å; D20-S23 PolarHBondContact O-N 3.23Å; D20-S23 VanDerWaalsContact O-N 3.15Å; D20-L24 WeakPolarHBondContact O-CG 3.49Å; D20-L24 PolarHBondContact O-N 3.3Å
21I91.9Very high90.5Very high0 Ų070.8 Ų70.80%036%0.361CS..Hα-helixtrans-60.2-44172.2-74.6-51.3000111.8V8 I16 P17 S23 L24 L25 L48 L50 V226V8-I21 HydrophobicContact CB-CG1 4.09Å; V8-I21 HydrophobicContact CG2-CB 4.36Å; V8-I21 HydrophobicContact CG2-CG1 4.21Å; V8-I21 HydrophobicContact CG2-CG2 4.23Å; I16-I21 HydrophobicContact CB-CD1 4.16Å; I16-I21 HydrophobicContact CB-CG1 3.9Å; I16-I21 HydrophobicContact CD1-CD1 3.82Å; I16-I21 HydrophobicContact CD1-CG1 4.45Å; I16-I21 HydrophobicContact CG2-CD1 3.75Å; I16-I21 HydrophobicContact CG2-CG1 3.59Å; P17-I21 PolarHBondContact O-N 3.41Å; P17-I21 VanDerWaalsContact O-N 3.16Å; I21-S23 VanDerWaalsContact C-N 3.26Å; I21-S23 PolarHBondContact O-N 2.99Å; I21-L24 HydrophobicContact CD1-CD1 4.27Å; I21-L24 PolarHBondContact O-N 3.24Å; I21-L25 WeakPolarHBondContact O-CB 3.38Å; I21-L25 PolarHBondContact O-N 3.3Å; I21-L48 HydrophobicContact CG2-CD2 4.42Å; I21-L50 HydrophobicContact CG2-CD1 3.79Å; I21-L50 HydrophobicContact CG2-CD2 4.5Å; I21-V226 HydrophobicContact CD1-CG1 4.17Å
22L92.2Very high91.1Very high53 Ų5371 Ų7128%0.27736%0.361SS..Hα-helixtrans-64.7-33.6177.2-72.4173.2000111.8K18 S19 D20 L25 R26 L48K18-L22 HydrophobicContact CG-CD1 3.94Å; K18-L22 HydrophobicContact CG-CG 4.39Å; K18-L22 VanDerWaalsContact O-CB 3.3Å; K18-L22 WeakPolarHBondContact O-CB 3.33Å; K18-L22 WeakPolarHBondContact O-CD1 3.5Å; K18-L22 WeakPolarHBondContact O-CG 3.35Å; K18-L22 PolarHBondContact O-N 3.48Å; S19-L22 PolarHBondContact O-N 3.02Å; D20-L22 PolarHBondContact O-N 3.15Å; L22-L25 HydrophobicContact CD2-CD2 4.3Å; L22-R26 WeakPolarHBondContact O-CG 3.31Å; L22-R26 PolarHBondContact O-N 2.94Å; L22-R26 VanDerWaalsContact O-N 3.11Å; L22-L48 HydrophobicContact CD2-CD2 3.9Å; L22-L48 HydrophobicContact CG-CD2 4.06Å
23S93.6Very high91.8Very high53 Ų5369.8 Ų69.837%0.37136%0.356SS..Hα-helixtrans-66.3-49.2174.1-1600000112.1S19 D20 I21 L25 R26 T27S19-S23 WeakPolarHBondContact O-CB 3.36Å; S19-S23 PolarHBondContact O-N 3.4Å; D20-S23 WeakPolarHBondContact O-CB 3.38Å; D20-S23 PolarHBondContact O-N 3.23Å; D20-S23 VanDerWaalsContact O-N 3.15Å; I21-S23 VanDerWaalsContact C-N 3.26Å; I21-S23 PolarHBondContact O-N 2.99Å; S23-L25 VanDerWaalsContact C-N 3.29Å; S23-L25 PolarHBondContact O-N 2.9Å; S23-R26 VanDerWaalsContact CA-NH2 3.34Å; S23-R26 WeakPolarHBondContact O-CB 3.39Å; S23-R26 PolarHBondContact O-N 3.47Å; S23-R26 PolarHBondContact OG-NH2 2.67Å; S23-T27 PolarHBondContact O-N 2.95Å; S23-T27 PolarHBondContact O-OG1 3.47Å
24L94.6Very high92Very high62 Ų6265.4 Ų65.433%0.32536%0.357SS..Hα-helixtrans-60.1-41175.7-70.9167.4000111.5D20 I21 R26 T27 Y28 V229 L230D20-L24 WeakPolarHBondContact O-CG 3.49Å; D20-L24 PolarHBondContact O-N 3.3Å; I21-L24 HydrophobicContact CD1-CD1 4.27Å; I21-L24 PolarHBondContact O-N 3.24Å; L24-R26 VanDerWaalsContact C-N 3.34Å; L24-R26 PolarHBondContact O-N 2.79Å; L24-T27 PolarHBondContact O-N 3.19Å; L24-Y28 WeakPolarHBondContact O-CB 3.34Å; L24-Y28 PolarHBondContact O-N 3.29Å; L24-V229 HydrophobicContact CB-CG1 3.67Å; L24-L230 HydrophobicContact CD1-CD2 3.63Å
25L94Very high92.2Very high8 Ų864.9 Ų64.94%0.04235%0.354CS..Hα-helixtrans-60.9-40.2177.2177.666.1000112.3I21 L22 S23 Y28 N29 L39 T41 L50I21-L25 WeakPolarHBondContact O-CB 3.38Å; I21-L25 PolarHBondContact O-N 3.3Å; L22-L25 HydrophobicContact CD2-CD2 4.3Å; S23-L25 VanDerWaalsContact C-N 3.29Å; S23-L25 PolarHBondContact O-N 2.9Å; L25-Y28 PolarHBondContact O-N 3.21Å; L25-N29 WeakPolarHBondContact O-CB 3.48Å; L25-N29 PolarHBondContact O-N 3Å; L25-L39 HydrophobicContact CD1-CB 3.67Å; L25-L39 HydrophobicContact CD1-CD1 4.08Å; L25-L39 HydrophobicContact CD1-CG 4.31Å; L25-T41 WeakPolarHBondContact CD2-OG1 3.12Å; L25-L50 HydrophobicContact CD1-CD2 4.42Å; L25-L50 HydrophobicContact CD2-CD2 3.69Å
26R94.4Very high92.1Very high160 Ų16067.1 Ų67.160%0.60437%0.367SS*.Hα-helixtrans-59.8-48.1175.2-75.6-174.5-63.6-101.23.4110.9L22 S23 L24 Y28 N29 C30L22-R26 WeakPolarHBondContact O-CG 3.31Å; L22-R26 PolarHBondContact O-N 2.94Å; L22-R26 VanDerWaalsContact O-N 3.11Å; S23-R26 VanDerWaalsContact CA-NH2 3.34Å; S23-R26 WeakPolarHBondContact O-CB 3.39Å; S23-R26 PolarHBondContact O-N 3.47Å; S23-R26 PolarHBondContact OG-NH2 2.67Å; L24-R26 VanDerWaalsContact C-N 3.34Å; L24-R26 PolarHBondContact O-N 2.79Å; R26-Y28 VanDerWaalsContact C-N 3.34Å; R26-Y28 PolarHBondContact O-N 3.41Å; R26-N29 PolarHBondContact O-N 2.76Å; R26-C30 WeakPolarHBondContact O-CB 3.3Å; R26-C30 PolarHBondContact O-N 3.06Å
27T95.1Very high92.3Very high98 Ų9868.4 Ų68.460%0.60137%0.372SS*.Hα-helixtrans-62.6-42.3176.9-53.30000111.5S23 L24 C30 Y31S23-T27 PolarHBondContact O-N 2.95Å; S23-T27 PolarHBondContact O-OG1 3.47Å; L24-T27 PolarHBondContact O-N 3.19Å; T27-C30 PolarHBondContact O-N 3.47Å; T27-Y31 PolarHBondContact O-N 2.96Å
28Y95.4Very high92.5Very high4 Ų470.3 Ų70.32%0.01638%0.377CS..Hα-helixtrans-60-49.5177.4-171.1-78.2000111.8L24 L25 R26 C30 Y31 H32 L39 R228 V229 P233L24-Y28 WeakPolarHBondContact O-CB 3.34Å; L24-Y28 PolarHBondContact O-N 3.29Å; L25-Y28 PolarHBondContact O-N 3.21Å; R26-Y28 VanDerWaalsContact C-N 3.34Å; R26-Y28 PolarHBondContact O-N 3.41Å; Y28-C30 VanDerWaalsContact C-N 3.34Å; Y28-C30 PolarHBondContact O-N 3.43Å; Y28-Y31 PolarHBondContact O-N 3.35Å; Y28-H32 AromaticContact CD1-CD2 3.78Å; Y28-H32 AromaticContact CE1-CD2 3.34Å; Y28-H32 WeakPolarHBondContact CE1-CD2 3.48Å; Y28-H32 AromaticContact CE1-NE2 3.72Å; Y28-H32 AromaticContact CZ-CD2 3.83Å; Y28-H32 AromaticContact CZ-NE2 3.69Å; Y28-H32 PolarHBondContact O-CD2 3.25Å; Y28-H32 PolarHBondContact O-N 2.83Å; Y28-L39 HydrophobicContact CD1-CD1 3.92Å; Y28-L39 HydrophobicContact CD1-CG 3.86Å; Y28-L39 HydrophobicContact CE1-CD1 3.8Å; Y28-L39 HydrophobicContact CE1-CD2 4.1Å; Y28-L39 HydrophobicContact CE1-CG 3.59Å; Y28-L39 HydrophobicContact CG-CD1 4.45Å; Y28-R228 HydrophobicContact CE2-CG 4Å; Y28-V229 HydrophobicContact CD2-CG2 4.27Å; Y28-P233 HydrophobicContact CD1-CB 4.4Å; Y28-P233 HydrophobicContact CD2-CB 3.54Å; Y28-P233 HydrophobicContact CD2-CG 4.19Å; Y28-P233 HydrophobicContact CE1-CB 4.41Å; Y28-P233 VanDerWaalsContact CE2-CA 3.45Å; Y28-P233 HydrophobicContact CE2-CB 3.57Å; Y28-P233 HydrophobicContact CG-CB 3.96Å
29N95.9Very high92.8Very high34 Ų3468 Ų6818%0.18237%0.367CS..Hα-helixtrans-71.2-28.4-178.5-78.2-9.7000113.1L25 R26 H32 E33 Q38 L39L25-N29 WeakPolarHBondContact O-CB 3.48Å; L25-N29 PolarHBondContact O-N 3Å; R26-N29 PolarHBondContact O-N 2.76Å; N29-H32 CarbonylContact O-C 3.37Å; N29-H32 PolarHBondContact O-N 3.06Å; N29-E33 PolarHBondContact O-N 3.36Å; N29-Q38 PolarHBondContact O-NE2 3.47Å; N29-Q38 WeakPolarHBondContact OD1-CA 3.43Å; N29-L39 PolarHBondContact ND2-O 2.93Å; N29-L39 PolarHBondContact OD1-N 2.83Å
30C95.6Very high92.9Very high83 Ų8372 Ų7256%0.56137%0.371SS*.Hα-helixtrans-62.5-45171.1-177.80000111.1R26 T27 Y28 H32 E33R26-C30 WeakPolarHBondContact O-CB 3.3Å; R26-C30 PolarHBondContact O-N 3.06Å; T27-C30 PolarHBondContact O-N 3.47Å; Y28-C30 VanDerWaalsContact C-N 3.34Å; Y28-C30 PolarHBondContact O-N 3.43Å; C30-H32 PolarHBondContact O-N 3.31Å; C30-E33 VanDerWaalsContact O-CB 3.28Å; C30-E33 WeakPolarHBondContact O-CB 3.29Å; C30-E33 PolarHBondContact O-N 3.42Å; C30-E33 VanDerWaalsContact O-N 3.1Å
31Y94.6Very high92.9Very high100 Ų10071.6 Ų71.639%0.39237%0.371SS..Hα-helixtrans-61.4-31.7175.7180-90.1000113.5T27 Y28 K35 P233 C234T27-Y31 PolarHBondContact O-N 2.96Å; Y28-Y31 PolarHBondContact O-N 3.35Å; Y31-K35 PolarHBondContact O-NZ 2.92Å; Y31-P233 VanDerWaalsContact CB-CG 3.47Å; Y31-P233 HydrophobicContact CD1-CB 3.49Å; Y31-P233 VanDerWaalsContact CD1-CB 3.49Å; Y31-P233 HydrophobicContact CD1-CG 3.71Å; Y31-P233 HydrophobicContact CD2-CG 4.18Å; Y31-P233 HydrophobicContact CE1-CB 4.16Å; Y31-P233 HydrophobicContact CE1-CG 4.47Å; Y31-P233 WeakPolarHBondContact CE1-O 3.41Å; Y31-P233 HydrophobicContact CG-CB 3.85Å; Y31-P233 HydrophobicContact CG-CG 3.52Å; Y31-C234 HydrophobicContact CE2-CB 4.28Å
32H93.9Very high92.8Very high11 Ų1175.7 Ų75.75%0.05139%0.387CS..THydrogen-bonded Turntrans-97.515.9177.8-68.1-65.8000113.9Y28 N29 C30 G34 K35 F37 Q38 P233Y28-H32 AromaticContact CD1-CD2 3.78Å; Y28-H32 AromaticContact CE1-CD2 3.34Å; Y28-H32 WeakPolarHBondContact CE1-CD2 3.48Å; Y28-H32 AromaticContact CE1-NE2 3.72Å; Y28-H32 AromaticContact CZ-CD2 3.83Å; Y28-H32 AromaticContact CZ-NE2 3.69Å; Y28-H32 PolarHBondContact O-CD2 3.25Å; Y28-H32 PolarHBondContact O-N 2.83Å; N29-H32 CarbonylContact O-C 3.37Å; N29-H32 PolarHBondContact O-N 3.06Å; C30-H32 PolarHBondContact O-N 3.31Å; H32-G34 PolarHBondContact O-N 2.98Å; H32-K35 HydrophobicContact CB-CB 4.47Å; H32-K35 WeakPolarHBondContact O-CA 3.37Å; H32-K35 WeakPolarHBondContact O-CB 3.28Å; H32-K35 PolarHBondContact O-N 3.47Å; H32-F37 HydrophobicContact CB-CB 4.23Å; H32-F37 WeakPolarHBondContact ND1-CB 3.31Å; H32-Q38 HydrophobicContact CB-CG 3.93Å; H32-Q38 VanDerWaalsContact O-CG 3.28Å; H32-Q38 WeakPolarHBondContact O-CG 3.46Å; H32-P233 VanDerWaalsContact NE2-CB 3.34Å; H32-P233 WeakPolarHBondContact NE2-CB 3.23Å
33E92.6Very high92.6Very high144 Ų14478.8 Ų78.867%0.67340%0.4SS*.THydrogen-bonded Turntrans-56.3129.8178.3-170.1168.3-157.800111.1N29 C30 K35N29-E33 PolarHBondContact O-N 3.36Å; C30-E33 VanDerWaalsContact O-CB 3.28Å; C30-E33 WeakPolarHBondContact O-CB 3.29Å; C30-E33 PolarHBondContact O-N 3.42Å; C30-E33 VanDerWaalsContact O-N 3.1Å; E33-K35 PolarHBondContact O-N 2.79Å
34G86Confident92.1Very high80 Ų8080.5 Ų80.583%0.82540%0.402SS*.THydrogen-bonded Turntrans72.19.1-174.800000115.5H32H32-G34 PolarHBondContact O-N 2.98Å
35K89.1Confident91.3Very high108 Ų10885.1 Ų85.147%0.4743%0.427SS..SBendtrans-118156.6179.1-56.1174.3-168.7152.40111.3Y31 H32 E33 F37Y31-K35 PolarHBondContact O-NZ 2.92Å; H32-K35 HydrophobicContact CB-CB 4.47Å; H32-K35 WeakPolarHBondContact O-CA 3.37Å; H32-K35 WeakPolarHBondContact O-CB 3.28Å; H32-K35 PolarHBondContact O-N 3.47Å; E33-K35 PolarHBondContact O-N 2.79Å; K35-F37 PolarHBondContact O-N 3.43Å
36N85.9Confident90.4Very high144 Ų14485.7 Ų85.777%0.7744%0.435SS*.THydrogen-bonded Turntrans-72.19.6-178.5-62.4-36.8000115.3L53N36-L53 WeakPolarHBondContact O-CD1 3.33Å
37F92.3Very high89.7Confident49 Ų4980.5 Ų80.522%0.21542%0.417CS..THydrogen-bonded Turntrans-108.16.8-175-75.1-81.2000113.6H32 K35 L39 L53 N55H32-F37 HydrophobicContact CB-CB 4.23Å; H32-F37 WeakPolarHBondContact ND1-CB 3.31Å; K35-F37 PolarHBondContact O-N 3.43Å; F37-L39 PolarHBondContact O-N 3.23Å; F37-L53 HydrophobicContact CD1-CB 3.84Å; F37-L53 HydrophobicContact CE1-CB 3.87Å; F37-L53 HydrophobicContact CE1-CD1 4.43Å; F37-N55 WeakPolarHBondContact CE1-ND2 3.4Å; F37-N55 WeakPolarHBondContact CE1-OD1 3.48Å; F37-N55 WeakPolarHBondContact CZ-OD1 3.48Å
38Q94.2Very high89.4Confident83 Ų8376.3 Ų76.339%0.38839%0.391SS..PPolyproline II helixtrans-63134.2170.7-63.9-177.6-54.700110.2N29 H32N29-Q38 PolarHBondContact O-NE2 3.47Å; N29-Q38 WeakPolarHBondContact OD1-CA 3.43Å; H32-Q38 HydrophobicContact CB-CG 3.93Å; H32-Q38 VanDerWaalsContact O-CG 3.28Å; H32-Q38 WeakPolarHBondContact O-CG 3.46Å
39L94.8Very high89.2Confident4 Ų476.3 Ų76.32%0.02139%0.392CS..PPolyproline II helixtrans-87.9135.1176.1-50.4-179.3000108.8L25 Y28 N29 F37 L225 V229L25-L39 HydrophobicContact CD1-CB 3.67Å; L25-L39 HydrophobicContact CD1-CD1 4.08Å; L25-L39 HydrophobicContact CD1-CG 4.31Å; Y28-L39 HydrophobicContact CD1-CD1 3.92Å; Y28-L39 HydrophobicContact CD1-CG 3.86Å; Y28-L39 HydrophobicContact CE1-CD1 3.8Å; Y28-L39 HydrophobicContact CE1-CD2 4.1Å; Y28-L39 HydrophobicContact CE1-CG 3.59Å; Y28-L39 HydrophobicContact CG-CD1 4.45Å; N29-L39 PolarHBondContact ND2-O 2.93Å; N29-L39 PolarHBondContact OD1-N 2.83Å; F37-L39 PolarHBondContact O-N 3.23Å; L39-L225 HydrophobicContact CD1-CD1 4.09Å; L39-L225 HydrophobicContact CD2-CD1 3.88Å; L39-V229 HydrophobicContact CD1-CG2 3.39Å
40R93.1Very high89.1Confident156 Ų15674.7 Ų74.759%0.58938%0.383SS*.EExtended strand (participates in β ladder)trans-92.9152.7175.2-63-170.9-66-146.53.2109.7L50 E51R40-L50 CarbonylContact O-C 3.54Å; R40-L50 WeakPolarHBondContact O-CA 3.46Å; R40-E51 PolarHBondContact N-O 2.73Å; R40-E51 IonicContact NH2-OE1 2.95Å; R40-E51 PolarHBondContact O-N 3.37Å
41T92.1Very high89.1Confident69 Ų6972.6 Ų72.642%0.42337%0.365SS..EExtended strand (participates in β ladder)trans-111.7132.5175.3-52.70000108.8L25 L48 I49L25-T41 WeakPolarHBondContact CD2-OG1 3.12Å; T41-L48 HydrophobicContact CG2-CD1 3.18Å; T41-L48 HydrophobicContact CG2-CG 4.15Å; T41-I49 WeakPolarHBondContact CA-O 3.15Å
42R90.4Very high89.1Confident86 Ų8667.9 Ų67.933%0.32535%0.346SS..EExtended strand (participates in β ladder)trans-129.7155.3169.371.9-173.6-163.6-152.711109.1E44 I49 E51R42-E44 IonicContact CZ-OE2 3.23Å; R42-E44 VanDerWaalsContact CZ-OE2 3.23Å; R42-E44 IonicContact NE-OE2 2.99Å; R42-E44 PolarHBondContact NE-OE2 3.32Å; R42-E44 IonicContact NH2-OE1 3.99Å; R42-E44 IonicContact NH2-OE2 2.68Å; R42-E44 PolarHBondContact NH2-OE2 3.31Å; R42-I49 HydrophobicContact CG-CB 3.63Å; R42-I49 HydrophobicContact CG-CG2 3.94Å; R42-I49 PolarHBondContact N-O 2.94Å; R42-I49 PolarHBondContact O-N 3.21Å; R42-E51 IonicContact CZ-OE2 3.86Å; R42-E51 IonicContact NH1-OE2 2.73Å; R42-E51 PolarHBondContact NH1-OE2 3.43Å
43E87.3Confident89.2Confident118 Ų11869 Ų6955%0.55135%0.352SS*.EExtended strand (participates in β ladder)trans-113118.2172-163.3158-134.100107.2K18 Q47K18-E43 IonicContact NZ-OE1 3.63Å; K18-E43 PolarHBondContact NZ-OE1 3.38Å; E43-Q47 WeakPolarHBondContact CA-O 3.46Å
44E82.8Confident89.4Confident90 Ų9062.2 Ų62.242%0.42132%0.321SS..EExtended strand (participates in β ladder)trans-128.4124.5-176-170.5170.5-166.600106.8R42 G46 Q47 I49R42-E44 IonicContact CZ-OE2 3.23Å; R42-E44 VanDerWaalsContact CZ-OE2 3.23Å; R42-E44 IonicContact NE-OE2 2.99Å; R42-E44 PolarHBondContact NE-OE2 3.32Å; R42-E44 IonicContact NH2-OE1 3.99Å; R42-E44 IonicContact NH2-OE2 2.68Å; R42-E44 PolarHBondContact NH2-OE2 3.31Å; E44-G46 PolarHBondContact O-N 3.4Å; E44-Q47 PolarHBondContact N-O 3.09Å; E44-Q47 VanDerWaalsContact N-O 3.07Å; E44-Q47 WeakPolarHBondContact O-CB 3.44Å; E44-Q47 PolarHBondContact O-N 3.47Å; E44-I49 HydrophobicContact CB-CG1 4.14Å
45D77.4Confident89.9Confident158 Ų15859.2 Ų59.285%0.84529%0.286SS*.THydrogen-bonded Turntrans51.530.4-176.2-58.2-38.2000115.2Q47D45-Q47 VanDerWaalsContact C-N 3.27Å; D45-Q47 PolarHBondContact O-N 2.91Å
46G74.6Confident90.3Very high20 Ų2054.1 Ų54.121%0.20626%0.264CS..THydrogen-bonded Turntrans78.66.4-177.700000114.7Q5 E44Q5-G46 PolarHBondContact N-O 3.3Å; E44-G46 PolarHBondContact O-N 3.4Å
47Q81.7Confident90.8Very high52 Ų5248.6 Ų48.624%0.24323%0.232CC..EExtended strand (participates in β ladder)trans-101.3140.1174.8-171.2168.937.600111.3E43 E44 D45 I49E43-Q47 WeakPolarHBondContact CA-O 3.46Å; E44-Q47 PolarHBondContact N-O 3.09Å; E44-Q47 VanDerWaalsContact N-O 3.07Å; E44-Q47 WeakPolarHBondContact O-CB 3.44Å; E44-Q47 PolarHBondContact O-N 3.47Å; D45-Q47 VanDerWaalsContact C-N 3.27Å; D45-Q47 PolarHBondContact O-N 2.91Å; Q47-I49 HydrophobicContact CG-CD1 4.17Å; Q47-I49 PolarHBondContact O-N 2.85Å
48L87Confident90.9Very high10 Ų1046.3 Ų46.35%0.05222%0.222CC..EExtended strand (participates in β ladder)trans-75117.2172.6-172.869.9000110V8 K18 I21 L22 T41V8-L48 HydrophobicContact CG2-CB 4.29Å; V8-L48 HydrophobicContact CG2-CD2 4.09Å; K18-L48 HydrophobicContact CD-CB 4.37Å; K18-L48 HydrophobicContact CD-CD2 4.38Å; K18-L48 HydrophobicContact CG-CB 4.48Å; K18-L48 HydrophobicContact CG-CD2 3.73Å; I21-L48 HydrophobicContact CG2-CD2 4.42Å; L22-L48 HydrophobicContact CD2-CD2 3.9Å; L22-L48 HydrophobicContact CG-CD2 4.06Å; T41-L48 HydrophobicContact CG2-CD1 3.18Å; T41-L48 HydrophobicContact CG2-CG 4.15Å
49I92.1Very high90.9Very high4 Ų442.6 Ų42.62%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-113.2124.5175.9-57.1-63000110T41 R42 E44 Q47 N179 S180T41-I49 WeakPolarHBondContact CA-O 3.15Å; R42-I49 HydrophobicContact CG-CB 3.63Å; R42-I49 HydrophobicContact CG-CG2 3.94Å; R42-I49 PolarHBondContact N-O 2.94Å; R42-I49 PolarHBondContact O-N 3.21Å; E44-I49 HydrophobicContact CB-CG1 4.14Å; Q47-I49 HydrophobicContact CG-CD1 4.17Å; Q47-I49 PolarHBondContact O-N 2.85Å; I49-N179 HydrophobicContact CG2-CB 3.89Å; I49-S180 WeakPolarHBondContact CA-OG 3.48Å
50L93.6Very high90.7Very high0 Ų043 Ų430%021%0.208CC..EExtended strand (participates in β ladder)trans-91.8141.3168.8-51.3175.5000108.6I21 L25 R40 N179 S180 L225 V229I21-L50 HydrophobicContact CG2-CD1 3.79Å; I21-L50 HydrophobicContact CG2-CD2 4.5Å; L25-L50 HydrophobicContact CD1-CD2 4.42Å; L25-L50 HydrophobicContact CD2-CD2 3.69Å; R40-L50 CarbonylContact O-C 3.54Å; R40-L50 WeakPolarHBondContact O-CA 3.46Å; L50-N179 CarbonylContact O-C 3.58Å; L50-N179 WeakPolarHBondContact O-CA 3.36Å; L50-N179 VanDerWaalsContact O-CB 3.27Å; L50-N179 WeakPolarHBondContact O-CB 3.49Å; L50-S180 PolarHBondContact N-OG 3.33Å; L50-S180 PolarHBondContact O-N 3.49Å; L50-L225 HydrophobicContact CB-CD2 4.11Å; L50-V229 HydrophobicContact CD1-CG2 4.44Å
51E95.3Very high90.5Very high39 Ų3944.3 Ų44.318%0.18221%0.213CC..EExtended strand (participates in β ladder)trans-143130179.3-164.9-155.8122.500111.7R40 R42 R177 V178 N179R40-E51 PolarHBondContact N-O 2.73Å; R40-E51 IonicContact NH2-OE1 2.95Å; R40-E51 PolarHBondContact O-N 3.37Å; R42-E51 IonicContact CZ-OE2 3.86Å; R42-E51 IonicContact NH1-OE2 2.73Å; R42-E51 PolarHBondContact NH1-OE2 3.43Å; E51-R177 PolarHBondContact O-NH2 2.85Å; E51-R177 IonicContact OE1-CZ 3.28Å; E51-R177 VanDerWaalsContact OE1-CZ 3.28Å; E51-R177 IonicContact OE1-NE 2.92Å; E51-R177 PolarHBondContact OE1-NE 2.84Å; E51-R177 IonicContact OE1-NH2 2.67Å; E51-R177 PolarHBondContact OE1-NH2 3.33Å; E51-V178 WeakPolarHBondContact CA-O 3.46Å; E51-N179 HydrophobicContact CB-CB 4.36Å; E51-N179 HydrophobicContact CG-CB 4.2Å
52G95.3Very high90.3Very high0 Ų047 Ų470%022%0.215CC..EExtended strand (participates in β ladder)trans-168.3-172.4-174.800000114.6R177 V178G52-R177 VanDerWaalsContact CA-NH1 3.35Å; G52-R177 WeakPolarHBondContact O-CA 3.41Å; G52-R177 WeakPolarHBondContact O-CD 3.28Å; G52-V178 PolarHBondContact N-O 2.95Å; G52-V178 PolarHBondContact O-N 3.28Å
53L96.1Very high90.3Very high35 Ų3546.7 Ų46.718%0.18323%0.225CC..EExtended strand (participates in β ladder)trans-90.1135.3169.6-64.8178.2000109.6N36 F37 V176 R177N36-L53 WeakPolarHBondContact O-CD1 3.33Å; F37-L53 HydrophobicContact CD1-CB 3.84Å; F37-L53 HydrophobicContact CE1-CB 3.87Å; F37-L53 HydrophobicContact CE1-CD1 4.43Å; L53-V176 CarbonylContact C-O 3.5Å; L53-V176 WeakPolarHBondContact CA-O 3.38Å; L53-R177 HydrophobicContact CD2-CB 4.25Å
54L96.8Very high90.4Very high1 Ų141.5 Ų41.51%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-117.7128.7173.8-174.866.7000109.3N175 V176 V178 V187 P224 L225 R228 I240L54-N175 CarbonylContact O-C 3.46Å; L54-N175 WeakPolarHBondContact O-CA 3.37Å; L54-V176 HydrophobicContact CB-CG2 4.19Å; L54-V176 PolarHBondContact N-O 2.83Å; L54-V176 PolarHBondContact O-N 3.33Å; L54-V178 HydrophobicContact CB-CG2 3.53Å; L54-V178 HydrophobicContact CD2-CG2 4.07Å; L54-V178 HydrophobicContact CG-CG2 4.4Å; L54-V187 HydrophobicContact CD2-CG1 4.26Å; L54-P224 HydrophobicContact CD2-CB 3.82Å; L54-L225 HydrophobicContact CD1-CD1 4.44Å; L54-R228 HydrophobicContact CD1-CB 3.68Å; L54-R228 HydrophobicContact CD1-CG 3.71Å; L54-I240 HydrophobicContact CD1-CD1 3.76Å; L54-I240 HydrophobicContact CD2-CD1 4.05Å; L54-I240 HydrophobicContact CG-CD1 4.17Å
55N96.5Very high90.7Very high17 Ų1744.3 Ų44.39%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-85.1129.1173.5-68.2-36.2000110.3F37 Y57 V173 E235F37-N55 WeakPolarHBondContact CE1-ND2 3.4Å; F37-N55 WeakPolarHBondContact CE1-OD1 3.48Å; F37-N55 WeakPolarHBondContact CZ-OD1 3.48Å; N55-Y57 HydrophobicContact CB-CE2 4.2Å; N55-V173 HydrophobicContact CB-CG2 3.64Å; N55-E235 VanDerWaalsContact CB-OE1 3.29Å; N55-E235 WeakPolarHBondContact CB-OE1 3.38Å; N55-E235 PolarHBondContact ND2-OE1 3.49Å
56I96.9Very high91.3Very high1 Ų137 Ų371%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-121.3126.8172.2-55.4173.4000107.7T174 V176 V187 L191 L206 I240 I242I56-T174 PolarHBondContact N-O 3.29Å; I56-T174 PolarHBondContact O-N 3.24Å; I56-V176 HydrophobicContact CD1-CG2 3.62Å; I56-V176 HydrophobicContact CG1-CG2 4.23Å; I56-V187 HydrophobicContact CD1-CG1 3.73Å; I56-L191 HydrophobicContact CB-CD2 4.06Å; I56-L191 HydrophobicContact CD1-CB 4.43Å; I56-L191 HydrophobicContact CD1-CD2 3.97Å; I56-L191 HydrophobicContact CG2-CD2 3.63Å; I56-L206 HydrophobicContact CG2-CD2 4.06Å; I56-I240 WeakPolarHBondContact CA-O 3.33Å; I56-I240 HydrophobicContact CG1-CG2 4.46Å; I56-I242 HydrophobicContact CG2-CB 4.13Å; I56-I242 HydrophobicContact CG2-CG2 4.14Å
57Y96.4Very high91.7Very high29 Ų2941.6 Ų41.611%0.11419%0.185CC..EExtended strand (participates in β ladder)trans-94.8136.2-178.9-69.8-95.9000110.4N55 G59 G171 S172 V173 E235 K239 I240 F241 I242N55-Y57 HydrophobicContact CB-CE2 4.2Å; Y57-G59 PolarHBondContact O-N 2.66Å; Y57-G171 WeakPolarHBondContact CD1-O 3.18Å; Y57-S172 CarbonylContact C-O 3.58Å; Y57-S172 WeakPolarHBondContact CA-O 3.43Å; Y57-V173 HydrophobicContact CD1-CB 4.06Å; Y57-V173 HydrophobicContact CD1-CG2 4.42Å; Y57-V173 HydrophobicContact CE1-CB 3.85Å; Y57-V173 HydrophobicContact CE1-CG2 4.12Å; Y57-V173 HydrophobicContact CE2-CG2 4.22Å; Y57-E235 WeakPolarHBondContact CE2-OE2 3.33Å; Y57-K239 HydrophobicContact CD1-CD 4.47Å; Y57-K239 HydrophobicContact CD2-CB 3.88Å; Y57-K239 HydrophobicContact CD2-CD 4.31Å; Y57-K239 HydrophobicContact CD2-CG 4.16Å; Y57-K239 HydrophobicContact CE1-CD 4.3Å; Y57-K239 HydrophobicContact CE2-CB 4Å; Y57-K239 HydrophobicContact CE2-CD 4.13Å; Y57-K239 HydrophobicContact CE2-CG 3.83Å; Y57-K239 HydrophobicContact CG-CD 4.48Å; Y57-I240 WeakPolarHBondContact CD2-O 3.29Å; Y57-I240 PolarHBondContact N-O 3.36Å; Y57-F241 VanDerWaalsContact CB-CD1 3.44Å; Y57-F241 VanDerWaalsContact CB-CE1 3.43Å; Y57-F241 HydrophobicContact CG-CE1 4.26Å; Y57-F241 HydrophobicContact CG-CZ 4.28Å; Y57-F241 CarbonylContact O-C 3.44Å; Y57-F241 VanDerWaalsContact O-CA 3.24Å; Y57-F241 WeakPolarHBondContact O-CA 3.41Å; Y57-I242 PolarHBondContact O-N 3.47Å
58W94.9Very high91.1Very high1 Ų144.4 Ų44.40%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-75.3113.8175.4-67.3103.6000110.3L60 I64 H157 F166 P168 G171 S172 T174 L191 F195 I242W58-L60 HydrophobicContact CE3-CD1 3.76Å; W58-L60 HydrophobicContact CE3-CG 4.21Å; W58-L60 HydrophobicContact CZ3-CD1 3.82Å; W58-I64 HydrophobicContact CH2-CD1 4.47Å; W58-I64 HydrophobicContact CZ3-CD1 4.09Å; W58-H157 AromaticContact CD1-CE1 3.72Å; W58-H157 AromaticContact NE1-CE1 3.58Å; W58-H157 AromaticContact NE1-NE2 3.75Å; W58-F166 HydrophobicContact CH2-CE1 4.24Å; W58-F166 HydrophobicContact CZ2-CE1 4.2Å; W58-P168 HydrophobicContact CB-CB 3.66Å; W58-P168 HydrophobicContact CB-CG 3.98Å; W58-P168 HydrophobicContact CD2-CB 3.59Å; W58-P168 HydrophobicContact CD2-CG 3.75Å; W58-P168 HydrophobicContact CE3-CB 4.02Å; W58-P168 HydrophobicContact CE3-CG 3.62Å; W58-P168 HydrophobicContact CG-CB 3.43Å; W58-P168 VanDerWaalsContact CG-CB 3.43Å; W58-P168 HydrophobicContact CG-CG 3.94Å; W58-P168 HydrophobicContact CZ3-CG 4.34Å; W58-G171 PolarHBondContact O-N 3.39Å; W58-S172 VanDerWaalsContact CD1-OG 3.27Å; W58-S172 PolarHBondContact N-O 3.47Å; W58-T174 PolarHBondContact NE1-OG1 3.31Å; W58-L191 HydrophobicContact CH2-CD1 4.45Å; W58-L191 HydrophobicContact CH2-CD2 4.37Å; W58-L191 HydrophobicContact CH2-CG 4.23Å; W58-L191 HydrophobicContact CZ2-CD1 4.07Å; W58-L191 HydrophobicContact CZ2-CG 4.34Å; W58-F195 HydrophobicContact CH2-CD2 4.15Å; W58-F195 HydrophobicContact CH2-CG 4.29Å; W58-F195 HydrophobicContact CZ2-CD1 4.22Å; W58-F195 AromaticContact CZ2-CD2 3.62Å; W58-F195 HydrophobicContact CZ2-CD2 3.62Å; W58-F195 HydrophobicContact CZ2-CE1 4.21Å; W58-F195 AromaticContact CZ2-CE2 3.6Å; W58-F195 HydrophobicContact CZ2-CE2 3.6Å; W58-F195 AromaticContact CZ2-CG 3.93Å; W58-F195 HydrophobicContact CZ2-CG 3.93Å; W58-F195 AromaticContact CZ2-CZ 3.9Å; W58-F195 HydrophobicContact CZ2-CZ 3.9Å; W58-I242 HydrophobicContact CD2-CG2 4.04Å; W58-I242 HydrophobicContact CE3-CG2 3.43Å; W58-I242 VanDerWaalsContact CE3-CG2 3.43Å; W58-I242 HydrophobicContact CZ3-CD1 4.13Å; W58-I242 HydrophobicContact CZ3-CG2 3.84Å
59G93.1Very high89.8Confident5 Ų548.4 Ų48.45%0.05222%0.216CC..  trans-112.412.6177.100000113.9Y57 I242Y57-G59 PolarHBondContact O-N 2.66Å; G59-I242 CarbonylContact C-O 3.52Å; G59-I242 VanDerWaalsContact CA-O 3.23Å; G59-I242 WeakPolarHBondContact CA-O 3.41Å; G59-I242 PolarHBondContact N-O 3.34Å
60L91.4Very high87.9Confident11 Ų1155 Ų556%0.05825%0.251CS..  trans-67.6137.1-179.5-57.6178000111.1W58 I64 P168 F204 E244W58-L60 HydrophobicContact CE3-CD1 3.76Å; W58-L60 HydrophobicContact CE3-CG 4.21Å; W58-L60 HydrophobicContact CZ3-CD1 3.82Å; L60-I64 HydrophobicContact CD1-CD1 3.72Å; L60-I64 HydrophobicContact CD1-CG1 4.22Å; L60-I64 HydrophobicContact CD1-CG2 3.8Å; L60-P168 HydrophobicContact CB-CG 4.43Å; L60-P168 HydrophobicContact CD1-CG 4.04Å; L60-F204 HydrophobicContact CD1-CE1 4.02Å; L60-F204 HydrophobicContact CD2-CD1 3.66Å; L60-F204 HydrophobicContact CD2-CE1 3.72Å; L60-E244 HydrophobicContact CD2-CG 4.08Å
61R88.4Confident85.8Confident185 Ų18562.6 Ų62.670%0.69829%0.292SS*.SBendtrans-100-21.7172.5-59.4-159.1-175.7171.3-4.8112.3E244 L247R61-E244 WeakPolarHBondContact CA-OE1 3.35Å; R61-E244 PolarHBondContact N-OE1 3.21Å; R61-E244 PolarHBondContact N-OE2 3.34Å; R61-L247 HydrophobicContact CB-CD2 4.37Å; R61-L247 VanDerWaalsContact CD-CD2 3.43Å; R61-L247 HydrophobicContact CG-CD2 3.89Å
62R89.1Confident83.5Confident124 Ų12467.9 Ų67.947%0.46832%0.322SS..SBendtrans-103.8147179.4-59.1-174.7-170.7129.5-1.3111.2E244 D246R62-E244 PolarHBondContact N-OE1 2.74Å; R62-D246 IonicContact CZ-OD1 3.9Å; R62-D246 IonicContact CZ-OD2 3.19Å; R62-D246 IonicContact NH1-OD1 3.01Å; R62-D246 PolarHBondContact NH1-OD1 2.71Å; R62-D246 IonicContact NH1-OD2 2.72Å; R62-D246 PolarHBondContact NH1-OD2 2.87Å; R62-D246 IonicContact NH2-OD1 3.98Å; R62-D246 IonicContact NH2-OD2 2.72Å; R62-D246 PolarHBondContact NH2-OD2 3.04Å
63P88.7Confident81.1Confident81 Ų8174.5 Ų74.553%0.52635%0.352SS..  trans-64.3143.7170.2-17.230.4000111.6V165P63-V165 HydrophobicContact CB-CG1 3.51Å; P63-V165 HydrophobicContact CG-CG1 4.43Å
64I90.5Very high78.5Confident9 Ų984.3 Ų84.35%0.04639%0.387CS..EExtended strand (participates in β ladder)trans-111.7156175.951.4171.6000110.6W58 L60 F166 V197 F204W58-I64 HydrophobicContact CH2-CD1 4.47Å; W58-I64 HydrophobicContact CZ3-CD1 4.09Å; L60-I64 HydrophobicContact CD1-CD1 3.72Å; L60-I64 HydrophobicContact CD1-CG1 4.22Å; L60-I64 HydrophobicContact CD1-CG2 3.8Å; I64-F166 HydrophobicContact CD1-CD1 3.5Å; I64-F166 HydrophobicContact CD1-CE1 4Å; I64-F166 HydrophobicContact CG1-CB 4.16Å; I64-F166 HydrophobicContact CG1-CD1 3.68Å; I64-F166 HydrophobicContact CG1-CG 4.3Å; I64-F166 WeakPolarHBondContact CG1-O 3.46Å; I64-F166 PolarHBondContact N-O 3.25Å; I64-F166 PolarHBondContact O-N 3.45Å; I64-V197 HydrophobicContact CD1-CG1 4.4Å; I64-V197 HydrophobicContact CD1-CG2 3.86Å; I64-F204 HydrophobicContact CG2-CE1 3.7Å; I64-F204 HydrophobicContact CG2-CZ 3.6Å
65R89.2Confident76Confident149 Ų14989.7 Ų89.756%0.56241%0.411SS*.EExtended strand (participates in β ladder)trans-98.3137.4-178.7-71.2179.5176-110.30.5110.7S164 V197 E198 N199R65-S164 WeakPolarHBondContact CA-O 3.37Å; R65-V197 WeakPolarHBondContact O-CA 3.44Å; R65-E198 HydrophobicContact CB-CB 4.38Å; R65-E198 PolarHBondContact O-N 2.84Å; R65-N199 PolarHBondContact N-OD1 3.11Å; R65-N199 VanDerWaalsContact N-OD1 3.11Å
66L88.9Confident73.3Confident5 Ų5100.2 Ų100.23%0.02645%0.449CS..BIsolated β-bridgetrans-97.1144.9171.3-52.5-170.3000109.9M68 I154 Y159 S164 F166 F195 R196 V197L66-M68 PolarHBondContact O-N 3.1Å; L66-I154 HydrophobicContact CD1-CG2 3.85Å; L66-Y159 HydrophobicContact CD1-CD1 3.96Å; L66-Y159 HydrophobicContact CD1-CD2 3.81Å; L66-Y159 HydrophobicContact CD1-CE1 4.39Å; L66-Y159 HydrophobicContact CD1-CE2 4.25Å; L66-Y159 HydrophobicContact CD1-CG 3.64Å; L66-S164 PolarHBondContact N-O 3.16Å; L66-S164 VanDerWaalsContact O-CB 3.26Å; L66-S164 WeakPolarHBondContact O-CB 3.48Å; L66-F166 HydrophobicContact CD1-CB 3.88Å; L66-F166 HydrophobicContact CD1-CG 4.29Å; L66-F166 HydrophobicContact CD2-CB 3.56Å; L66-F166 HydrophobicContact CD2-CD1 3.86Å; L66-F166 HydrophobicContact CD2-CG 3.96Å; L66-F166 HydrophobicContact CG-CB 3.58Å; L66-F166 HydrophobicContact CG-CG 4.31Å; L66-F195 VanDerWaalsContact CD2-O 3.23Å; L66-F195 WeakPolarHBondContact CD2-O 3.4Å; L66-R196 CarbonylContact C-O 3.59Å; L66-R196 VanDerWaalsContact CA-O 3.27Å; L66-R196 WeakPolarHBondContact CA-O 3.43Å; L66-V197 HydrophobicContact CD2-CG2 4.16Å
67Q84.1Confident70.5Confident116 Ų116107.3 Ų107.354%0.54249%0.486SS..PPolyproline II helixtrans-60.7120.8171-169.8178.328.100109.4R196Q67-R196 HydrophobicContact CB-CB 4.37Å; Q67-R196 PolarHBondContact N-O 2.95Å
68M68.6Low67.8Low111 Ų111112.2 Ų112.255%0.54751%0.514SS..PPolyproline II helixtrans-70.8131.7174.8-54.3-142.350.400109.2L66 H161 S164L66-M68 PolarHBondContact O-N 3.1Å; M68-H161 WeakPolarHBondContact CE-O 3.38Å; M68-S164 VanDerWaalsContact CE-OG 3.23Å; M68-S164 WeakPolarHBondContact CE-OG 3.5Å; M68-S164 WeakPolarHBondContact CG-OG 3.2Å; M68-S164 PolarHBondContact SD-OG 2.89Å
69F59.1Low65.4Low94 Ų94123 Ų12341%0.41256%0.555SS.*  trans-113.6123.8161.6-119.9-99.2000106.3E73 F75F69-E73 HydrophobicContact CD1-CB 4.32Å; F69-E73 HydrophobicContact CE1-CB 3.85Å; F69-F75 HydrophobicContact CD1-CE2 4.01Å; F69-F75 HydrophobicContact CD1-CZ 4.37Å; F69-F75 HydrophobicContact CD2-CE2 4.35Å; F69-F75 HydrophobicContact CD2-CZ 4.17Å; F69-F75 AromaticContact CE1-CE2 3.83Å; F69-F75 HydrophobicContact CE1-CE2 3.83Å; F69-F75 AromaticContact CE1-CZ 3.86Å; F69-F75 HydrophobicContact CE1-CZ 3.86Å; F69-F75 HydrophobicContact CE2-CE2 4.19Å; F69-F75 AromaticContact CE2-CZ 3.64Å; F69-F75 HydrophobicContact CE2-CZ 3.64Å; F69-F75 HydrophobicContact CG-CE2 4.26Å; F69-F75 HydrophobicContact CZ-CE1 4.24Å; F69-F75 AromaticContact CZ-CE2 3.93Å; F69-F75 HydrophobicContact CZ-CE2 3.93Å; F69-F75 AromaticContact CZ-CZ 3.46Å; F69-F75 HydrophobicContact CZ-CZ 3.46Å; F69-F75 VanDerWaalsContact CZ-CZ 3.46Å
70D52.6Low62.7Low141 Ų141128.4 Ų128.475%0.75458%0.583SS**  trans-60.9140.9164.6-80.2-30000108.4N72D70-N72 PolarHBondContact O-N 3.37Å
71D51Low60.1Low161 Ų161136.2 Ų136.286%0.86162%0.619SS**THydrogen-bonded Turntrans-58.610-174.3-82.5-37.9000115.6
72N46.8Very low57.8Low150 Ų150135.7 Ų135.780%0.80263%0.628SS**THydrogen-bonded Turntrans-99.8-7.4-168.8-140.631.4000116D70D70-N72 PolarHBondContact O-N 3.37Å
73E44.2Very low55.2Low138 Ų138133.9 Ų133.965%0.64564%0.635SS**  trans-123.680.8-179.6-74.7-78.3159.500109.9F69 F75F69-E73 HydrophobicContact CD1-CB 4.32Å; F69-E73 HydrophobicContact CE1-CB 3.85Å; E73-F75 PolarHBondContact O-N 3.47Å
74R41.2Very low52.6Low242 Ų242136.4 Ų136.491%0.91365%0.649SS**  trans-54.6106.9158.9-91-178.7173.4178.4-1.5107.7R76R74-R76 PolarHBondContact O-N 3.11Å
75F43.9Very low49.7Very low113 Ų113142.7 Ų142.750%0.49669%0.687SS.*  trans-44.9106.8177.8-79.5-96000112.2F69 E73 L77F69-F75 HydrophobicContact CD1-CE2 4.01Å; F69-F75 HydrophobicContact CD1-CZ 4.37Å; F69-F75 HydrophobicContact CD2-CE2 4.35Å; F69-F75 HydrophobicContact CD2-CZ 4.17Å; F69-F75 AromaticContact CE1-CE2 3.83Å; F69-F75 HydrophobicContact CE1-CE2 3.83Å; F69-F75 AromaticContact CE1-CZ 3.86Å; F69-F75 HydrophobicContact CE1-CZ 3.86Å; F69-F75 HydrophobicContact CE2-CE2 4.19Å; F69-F75 AromaticContact CE2-CZ 3.64Å; F69-F75 HydrophobicContact CE2-CZ 3.64Å; F69-F75 HydrophobicContact CG-CE2 4.26Å; F69-F75 HydrophobicContact CZ-CE1 4.24Å; F69-F75 AromaticContact CZ-CE2 3.93Å; F69-F75 HydrophobicContact CZ-CE2 3.93Å; F69-F75 AromaticContact CZ-CZ 3.46Å; F69-F75 HydrophobicContact CZ-CZ 3.46Å; F69-F75 VanDerWaalsContact CZ-CZ 3.46Å; E73-F75 PolarHBondContact O-N 3.47Å; F75-L77 PolarHBondContact O-N 2.89Å
76R40.5Very low47Very low239 Ų239140 Ų14090%0.90270%0.697SS**  trans-80.696.1151.6-71.9-173.6175.1151.20.3106.7R74 N78R74-R76 PolarHBondContact O-N 3.11Å; R76-N78 PolarHBondContact O-N 2.97Å; R76-N78 VanDerWaalsContact O-N 3.08Å
77L38.7Very low44.2Very low150 Ų150149.7 Ų149.779%0.78574%0.739SS**  trans-60.8114.9161.6-72.5171.6000107F75 R79F75-L77 PolarHBondContact O-N 2.89Å; L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 3.4Å
78N38.3Very low41.6Very low131 Ų131153.3 Ų153.370%0.70176%0.756SS**  trans-66.393.5177.9-156.719.6000108.2R76 N80R76-N78 PolarHBondContact O-N 2.97Å; R76-N78 VanDerWaalsContact O-N 3.08Å; N78-N80 PolarHBondContact O-N 3.06Å
79R44.5Very low39.7Very low228 Ų228152.4 Ų152.486%0.8677%0.766SS**THydrogen-bonded Turntrans-71.423.3-179.4-170.3177172.3-173.2-0.5112.8L77L77-R79 VanDerWaalsContact C-N 3.32Å; L77-R79 PolarHBondContact O-N 3.4Å
80N38Very low38.3Very low118 Ų118153.3 Ų153.363%0.63178%0.784SS**THydrogen-bonded Turntrans-120.516.1-167.4-82.510.1000116.1N78N78-N80 PolarHBondContact O-N 3.06Å
81E35.5Very low37.3Very low176 Ų176151.2 Ų151.282%0.82279%0.786SS**SBendtrans-116.313.4171.4-65.9-163.6174.500115.1
82I40.3Very low36.2Very low173 Ų173153 Ų15389%0.88779%0.789SS**SBendtrans-133.146.2170.4-49.5167.7000109.7
83S33.9Very low35.4Very low87 Ų87150.2 Ų150.261%0.60878%0.782SS**  trans-130.743173.666.80000112.9
84T34.2Very low34.7Very low133 Ų133151.6 Ų151.682%0.81679%0.793SS**SBendtrans-132.986.4154.649.20000108.4
85V30.8Very low34.5Very low141 Ų141146.3 Ų146.386%0.85578%0.783SS**SBendtrans155.3133.4137.8166.50000109.6
86A32.2Very low34Very low94 Ų94149 Ų14978%0.77780%0.803SS**  trans82.978.2166.300000118.8
87K30.2Very low33.5Very low208 Ų208142.5 Ų142.590%0.90479%0.794SS**  -59.4119.8128.7-112.3174.6175.6174.60108.5
88Q30Very low33Very low192 Ų192142.4 Ų142.490%0.89780%0.799SS**  trans171.2143.9130.1-97.3172.6-12.100112.3
89A28.1Very low32.6Very low92 Ų92143.3 Ų143.376%0.7680%0.804SS**  trans75.196.4172.600000115.9
90S28.9Very low31.9Very low113 Ų113136.1 Ų136.179%0.7980%0.801SS**  83.1110.168.370.60000114.3
91A33.1Very low31.6Very low96 Ų96139.7 Ų139.779%0.79381%0.814SS**  trans55.8102.7151.300000119
92E26.5Very low31.6Very low198 Ų198136.8 Ų136.893%0.92581%0.81SS**  trans-150.8130.1134-110.7167.4-156.900110.4
93S29.5Very low30.9Very low92 Ų92139.9 Ų139.964%0.64381%0.81SS**  trans-79.7125.2-165.7-168.20000111.4N95S93-N95 PolarHBondContact OG-OD1 3.43Å
94N31.3Very low31.2Very low167 Ų167141.2 Ų141.289%0.89382%0.817SS**  trans-106.6103.9160.6-76.5-28.7000108.2N96N94-N96 PolarHBondContact O-N 2.98Å
95N36.2Very low31Very low132 Ų132139 Ų13971%0.70681%0.812SS**  trans-70115.9178.1-63.5-18.6000109.8S93S93-N95 PolarHBondContact OG-OD1 3.43Å
96N33.3Very low30.9Very low169 Ų169140.4 Ų140.490%0.90482%0.815SS**  trans-155.984.2134.9-102.7-5.5000107.1N94N94-N96 PolarHBondContact O-N 2.98Å
97S29.2Very low30.7Very low102 Ų102139.7 Ų139.771%0.71382%0.817SS**  trans-78.8128.6165.3-74.10000109.3
98V29.7Very low30.6Very low148 Ų148137.1 Ų137.190%0.89781%0.813SS**  trans-132.8113.7136.4-179.90000106.8
99N29.6Very low30.7Very low151 Ų151134.8 Ų134.881%0.80781%0.805SS**  trans-71.8154.9173.7-74.7-19000111
100G30.5Very low30.7Very low76 Ų76134.1 Ų134.178%0.78481%0.807SS**  trans160.895.9157.600000113.4
101E30.4Very low30.8Very low193 Ų193132.4 Ų132.490%0.90281%0.807SS**  trans-61.6164171.1-77.7-168144.200113.7
102P35.1Very low30.7Very low115 Ų115137.3 Ų137.375%0.74781%0.814SS**  trans-97.2149.3-173.636.2-30.7000115.1
103R26.7Very low30.9Very low238 Ų238137.1 Ų137.190%0.89881%0.813SS**  trans123160.4150.7-76-174.5159-178.1-3.8115.2
104P39.8Very low31Very low115 Ų115142.3 Ų142.375%0.74783%0.827SS**  cis-135.3179.2-48.238.7-21.4000113.4
105A30.3Very low31.1Very low87 Ų87143.8 Ų143.872%0.71983%0.828SS**  trans88.3131.8155.600000121.5
106D28Very low30.9Very low170 Ų170144.3 Ų144.391%0.90983%0.831SS**  trans59.9135.1150.9-65.3-21.9000122.5
107G29.1Very low30.9Very low79 Ų79141.2 Ų141.281%0.81482%0.823SS**  trans132.1106.5153.400000115.4
108D28Very low31.4Very low154 Ų154142.5 Ų142.582%0.82483%0.829SS**  trans-65.9168.5168.3-176.527.4000113.1
109I30.5Very low32.1Very low144 Ų144144.2 Ų144.274%0.73883%0.827SS**  trans9398.4162.6-49.9178000118
110G28.6Very low32.7Very low77 Ų77145.2 Ų145.279%0.79483%0.832SS**  74.2114.7109.200000120.3
111G31.3Very low33.1Very low77 Ų77150.3 Ų150.379%0.79484%0.84SS**  trans113.3107.915300000113.9
112Q30.1Very low34.2Very low199 Ų199152.6 Ų152.693%0.9384%0.84SS**  trans-129.1126.5158.4-86.1-171.1-22.100111
113E30.6Very low34.4Very low195 Ų195153.5 Ų153.591%0.91184%0.844SS**  trans-57.1145.4176.9-66.7157.6163.800112.2
114E33.3Very low35.4Very low201 Ų201154 Ų15494%0.93985%0.846SS**  trans-78.8135.5169-74.7-179.9140.400110.6
115E32.9Very low35.5Very low197 Ų197153.8 Ų153.892%0.92185%0.847SS**  trans-157138.6159.4-159.4-175.2-152.400107.8
116D32.3Very low36.4Very low143 Ų143157.8 Ų157.877%0.76586%0.857SS**  cis-150.5143.3-38.2-175.27.7000104
117S32.2Very low36.7Very low105 Ų105153.7 Ų153.773%0.73485%0.846SS**  trans-151.6133.9168.9-79.20000108Q119S117-Q119 PolarHBondContact O-N 3.17Å
118P40.9Very low37Very low128 Ų128154.8 Ų154.883%0.83184%0.841SS**PPolyproline II helixtrans-76.9121.6-148.929.8-34.2000111.9
119Q43.7Very low37.6Very low185 Ų185157.3 Ų157.386%0.86485%0.845SS**PPolyproline II helixtrans-88.5119.9166.9-85.2179.4-9.700110.4S117 L121S117-Q119 PolarHBondContact O-N 3.17Å; Q119-L121 PolarHBondContact O-N 3.35Å
120L42.6Very low37.9Very low172 Ų172158.7 Ų158.790%0.90185%0.851SS**PPolyproline II helixtrans-60.6123.9167.7-71.6170.2000109.7R122L120-R122 PolarHBondContact O-N 3.02Å; L120-R122 VanDerWaalsContact O-N 3.09Å
121L39.3Very low38.5Very low182 Ų182166.7 Ų166.795%0.95386%0.857SS**  trans-60.8110.5177.1-69.5168.1000110.1Q119Q119-L121 PolarHBondContact O-N 3.35Å
122R53.3Low38.9Very low241 Ų241168.5 Ų168.591%0.90985%0.852SS**  trans-106125.9170.1-156.2174.3176.3122.4-0.2109.1L120 R124L120-R122 PolarHBondContact O-N 3.02Å; L120-R122 VanDerWaalsContact O-N 3.09Å; R122-R124 PolarHBondContact O-N 3.4Å
123T39.1Very low39.5Very low135 Ų135167.8 Ų167.883%0.82885%0.849SS**  trans-54.9130-178-45.90000111.2S125T123-S125 PolarHBondContact O-N 3.03Å
124R48Very low40Very low247 Ų247168.7 Ų168.793%0.93284%0.844SS**  trans-68.6124.7177.5-64.7-165.4170.7-173.4-1.5109.9R122R122-R124 PolarHBondContact O-N 3.4Å
125S40.7Very low40.5Very low111 Ų111170.4 Ų170.478%0.77684%0.842SS**  trans-126113.9157.444.20000107.5T123 A127T123-S125 PolarHBondContact O-N 3.03Å; S125-A127 PolarHBondContact O-N 2.94Å
126D49.2Very low40.9Very low172 Ų172166 Ų16692%0.9283%0.829SS**  trans-71.1109178.7-1541.7000108.4
127A36.1Very low41.9Very low83 Ų83165.2 Ų165.269%0.68683%0.825SS**  trans-153.694.2175.100000111.1S125S125-A127 PolarHBondContact O-N 2.94Å
128S35.2Very low42.8Very low103 Ų103165.8 Ų165.872%0.7282%0.824SS**  trans42.4108.9137.658.50000119.8M130S128-M130 PolarHBondContact O-N 3.48Å
129F40Very low43.5Very low206 Ų206163.3 Ų163.390%0.90480%0.801SS**  40.371.8106.1-130.2-91000116.7
130M36.9Very low44.3Very low174 Ų174159 Ų15986%0.85779%0.788SS**  trans-142.1128.8145.9-78-133.390.900109.7S128 V132S128-M130 PolarHBondContact O-N 3.48Å; M130-V132 PolarHBondContact O-N 2.92Å
131R41.7Very low45.1Very low244 Ų244154.8 Ų154.892%0.92178%0.777SS**  trans-60.294.9174.9-60.5175.9-163-140.91.9109.4
132V38.9Very low46.2Very low115 Ų115148 Ų14870%0.69775%0.751SS**  trans-102.5107.8156.31800000105.5M130 R134M130-V132 PolarHBondContact O-N 2.92Å; V132-R134 HydrophobicContact CG1-CG 4.48Å; V132-R134 PolarHBondContact O-N 3.44Å
133Q42.3Very low46.5Very low185 Ų185139.3 Ų139.386%0.86472%0.723SS**  trans-57.582.1165-77.8166-53.400108.4R135Q133-R135 VanDerWaalsContact C-N 3.32Å; Q133-R135 PolarHBondContact O-N 3.42Å
134R41.3Very low47.5Very low213 Ų213136.9 Ų136.980%0.80471%0.705SS**  trans-68.4103.7155.2-74.7-173.9178.9176.71104.1V132 T136V132-R134 HydrophobicContact CG1-CG 4.48Å; V132-R134 PolarHBondContact O-N 3.44Å; R134-T136 PolarHBondContact O-N 3.23Å
135R43.1Very low48Very low237 Ų237130.7 Ų130.789%0.89469%0.686SS**  trans-58.480.6163-75-179.1173.1175-2.2107.2Q133 N137Q133-R135 VanDerWaalsContact C-N 3.32Å; Q133-R135 PolarHBondContact O-N 3.42Å; R135-N137 VanDerWaalsContact C-N 3.28Å; R135-N137 PolarHBondContact O-N 2.9Å
136T43.1Very low48.8Very low104 Ų104134.2 Ų134.264%0.63868%0.682SS**  trans-63.8103.315648.90000103.5R134 T138R134-T136 PolarHBondContact O-N 3.23Å; T136-T138 PolarHBondContact O-N 3Å
137N51.8Low49.1Very low128 Ų128130.1 Ų130.168%0.68466%0.66SS**  trans-68.476174.2-144.722.7000106.4R135 H139R135-N137 VanDerWaalsContact C-N 3.28Å; R135-N137 PolarHBondContact O-N 2.9Å; N137-H139 PolarHBondContact ND2-NE2 3.09Å; N137-H139 PolarHBondContact O-N 3.15Å
138T51.6Low50.1Low117 Ų117134.7 Ų134.772%0.71866%0.66SS**  trans-70.682.9170.346.10000105.1T136 T140T136-T138 PolarHBondContact O-N 3Å; T138-T140 PolarHBondContact O-N 3.07Å; T138-T140 VanDerWaalsContact O-N 3.17Å
139H55.5Low51.1Low76 Ų76134.3 Ų134.335%0.35265%0.653SS.*  trans-53.7123.3170.4-84.3-65.8000107.6N137 D143 L144N137-H139 PolarHBondContact ND2-NE2 3.09Å; N137-H139 PolarHBondContact O-N 3.15Å; H139-D143 HydrophobicContact CB-CB 3.81Å; H139-D143 WeakPolarHBondContact ND1-CB 3.5Å; H139-L144 HydrophobicContact CB-CD2 4.17Å; H139-L144 HydrophobicContact CB-CG 3.88Å
140T60.8Low51.7Low95 Ų95129.8 Ų129.858%0.58363%0.634SS**  trans-55.9153.6176-38.30000108.6T138 G142 D143 L144T138-T140 PolarHBondContact O-N 3.07Å; T138-T140 VanDerWaalsContact O-N 3.17Å; T140-G142 PolarHBondContact O-N 2.87Å; T140-D143 WeakPolarHBondContact CB-OD2 3.42Å; T140-D143 PolarHBondContact N-OD2 3.1Å; T140-D143 VanDerWaalsContact N-OD2 3.12Å; T140-D143 WeakPolarHBondContact O-CA 3.46Å; T140-D143 WeakPolarHBondContact O-CB 3.37Å; T140-D143 PolarHBondContact O-N 2.99Å; T140-D143 PolarHBondContact OG1-OD2 3.38Å; T140-L144 PolarHBondContact O-N 3.14Å
141A59.2Low52.9Low82 Ų82128.7 Ų128.768%0.67862%0.621SS**Hα-helixtrans-50.7-33.5175.700000112.4Q145A141-Q145 VanDerWaalsContact O-CB 3.29Å; A141-Q145 WeakPolarHBondContact O-CB 3.3Å; A141-Q145 PolarHBondContact O-N 2.99Å
142G61.8Low54.3Low40 Ų40120 Ų12041%0.41259%0.59SS.*Hα-helixtrans-69.6-31.7171.600000115.2T140 Q145 R146T140-G142 PolarHBondContact O-N 2.87Å; G142-Q145 PolarHBondContact O-N 3.48Å; G142-R146 WeakPolarHBondContact O-CB 3.42Å; G142-R146 WeakPolarHBondContact O-CG 3.39Å; G142-R146 PolarHBondContact O-N 3.29Å
143D60Low56.3Low59 Ų59117.7 Ų117.732%0.31658%0.579SS.*Hα-helixtrans-74.9-40.6174.3-63.5-41.6000111.2H139 T140 Q145 R146 L147H139-D143 HydrophobicContact CB-CB 3.81Å; H139-D143 WeakPolarHBondContact ND1-CB 3.5Å; T140-D143 WeakPolarHBondContact CB-OD2 3.42Å; T140-D143 PolarHBondContact N-OD2 3.1Å; T140-D143 VanDerWaalsContact N-OD2 3.12Å; T140-D143 WeakPolarHBondContact O-CA 3.46Å; T140-D143 WeakPolarHBondContact O-CB 3.37Å; T140-D143 PolarHBondContact O-N 2.99Å; T140-D143 PolarHBondContact OG1-OD2 3.38Å; D143-Q145 VanDerWaalsContact C-N 3.27Å; D143-Q145 PolarHBondContact O-N 3.42Å; D143-R146 PolarHBondContact O-N 3.23Å; D143-L147 VanDerWaalsContact O-CB 3.25Å; D143-L147 WeakPolarHBondContact O-CB 3.28Å; D143-L147 WeakPolarHBondContact O-CD1 3.36Å; D143-L147 WeakPolarHBondContact O-CG 3.43Å; D143-L147 PolarHBondContact O-N 3.24Å
144L60.8Low58Low84 Ų84110 Ų11044%0.4454%0.543SS..Hα-helixtrans-61.6-38.5170.4-73.6166.6000111H139 T140 R148H139-L144 HydrophobicContact CB-CD2 4.17Å; H139-L144 HydrophobicContact CB-CG 3.88Å; T140-L144 PolarHBondContact O-N 3.14Å; L144-R148 WeakPolarHBondContact O-CB 3.2Å; L144-R148 VanDerWaalsContact O-CG 3.29Å; L144-R148 WeakPolarHBondContact O-CG 3.33Å; L144-R148 PolarHBondContact O-N 3.32Å
145Q58.7Low59.8Low117 Ų117104 Ų10455%0.54753%0.527SS..Hα-helixtrans-67.5-43175.1-161.272.42.600111.9A141 G142 D143 R148 T149A141-Q145 VanDerWaalsContact O-CB 3.29Å; A141-Q145 WeakPolarHBondContact O-CB 3.3Å; A141-Q145 PolarHBondContact O-N 2.99Å; G142-Q145 PolarHBondContact O-N 3.48Å; D143-Q145 VanDerWaalsContact C-N 3.27Å; D143-Q145 PolarHBondContact O-N 3.42Å; Q145-R148 PolarHBondContact O-N 3.44Å; Q145-T149 PolarHBondContact O-N 3.49Å; Q145-T149 PolarHBondContact O-OG1 3.45Å
146R57.7Low61.4Low184 Ų18495.7 Ų95.769%0.69452%0.516SS*.Hα-helixtrans-64.1-41.9174.5-80.9-179.1177.2-156.1-0.1112.5G142 D143 R148 T149 H150G142-R146 WeakPolarHBondContact O-CB 3.42Å; G142-R146 WeakPolarHBondContact O-CG 3.39Å; G142-R146 PolarHBondContact O-N 3.29Å; D143-R146 PolarHBondContact O-N 3.23Å; R146-R148 VanDerWaalsContact C-N 3.31Å; R146-R148 PolarHBondContact O-N 3.21Å; R146-T149 VanDerWaalsContact CA-OG1 3.29Å; R146-T149 WeakPolarHBondContact CA-OG1 3.37Å; R146-T149 PolarHBondContact O-N 3.21Å; R146-T149 PolarHBondContact O-OG1 3.1Å; R146-H150 PolarHBondContact O-N 3.24Å; R146-H150 VanDerWaalsContact O-N 3.1Å
147L54.7Low62.9Low87 Ų8792.1 Ų92.146%0.45549%0.491SS..Hα-helixtrans-65.9-32.6175-72.8166.9000111.8D143 R151D143-L147 VanDerWaalsContact O-CB 3.25Å; D143-L147 WeakPolarHBondContact O-CB 3.28Å; D143-L147 WeakPolarHBondContact O-CD1 3.36Å; D143-L147 WeakPolarHBondContact O-CG 3.43Å; D143-L147 PolarHBondContact O-N 3.24Å; L147-R151 WeakPolarHBondContact O-CD 3.34Å; L147-R151 VanDerWaalsContact O-CG 3.23Å; L147-R151 WeakPolarHBondContact O-CG 3.49Å
148R56.9Low64.1Low179 Ų17991.5 Ų91.568%0.67548%0.483SS*.Hα-helixtrans-73.2-39.8172.4-78.6174.5176.3162.1-1.3112.7L144 Q145 R146 H150 R151L144-R148 WeakPolarHBondContact O-CB 3.2Å; L144-R148 VanDerWaalsContact O-CG 3.29Å; L144-R148 WeakPolarHBondContact O-CG 3.33Å; L144-R148 PolarHBondContact O-N 3.32Å; Q145-R148 PolarHBondContact O-N 3.44Å; R146-R148 VanDerWaalsContact C-N 3.31Å; R146-R148 PolarHBondContact O-N 3.21Å; R148-H150 VanDerWaalsContact C-N 3.27Å; R148-H150 PolarHBondContact O-N 3.21Å; R148-R151 PolarHBondContact O-N 3.4Å
149T55.6Low65.7Low95 Ų9588.9 Ų88.958%0.58346%0.46SS*.Hα-helixtrans-69.4-24.1178.615.80000113.1Q145 R146 F152Q145-T149 PolarHBondContact O-N 3.49Å; Q145-T149 PolarHBondContact O-OG1 3.45Å; R146-T149 VanDerWaalsContact CA-OG1 3.29Å; R146-T149 WeakPolarHBondContact CA-OG1 3.37Å; R146-T149 PolarHBondContact O-N 3.21Å; R146-T149 PolarHBondContact O-OG1 3.1Å; T149-F152 VanDerWaalsContact O-CE2 3.28Å; T149-F152 WeakPolarHBondContact O-CE2 3.4Å
150H54.4Low66.9Low110 Ų11088.9 Ų88.951%0.50946%0.463SS..THydrogen-bonded Turntrans-91.1-0.5178.7-99.9-89.8000115.3R146 R148 F152 H161R146-H150 PolarHBondContact O-N 3.24Å; R146-H150 VanDerWaalsContact O-N 3.1Å; R148-H150 VanDerWaalsContact C-N 3.27Å; R148-H150 PolarHBondContact O-N 3.21Å; H150-F152 PolarHBondContact O-N 3.3Å; H150-H161 AromaticContact CE1-CE1 3.9Å; H150-H161 AromaticContact CE1-NE2 3.5Å; H150-H161 PolarHBondContact CE1-NE2 3.25Å; H150-H161 AromaticContact ND1-CE1 4Å; H150-H161 AromaticContact ND1-NE2 3.17Å; H150-H161 PolarHBondContact ND1-NE2 3.17Å; H150-H161 VanDerWaalsContact ND1-NE2 3.17Å
151R61.1Low67.9Low152 Ų15286.5 Ų86.557%0.57445%0.445SS*.  trans-95.991.7177.4-72.5173.385.893.97109.2L147 R148 F158L147-R151 WeakPolarHBondContact O-CD 3.34Å; L147-R151 VanDerWaalsContact O-CG 3.23Å; L147-R151 WeakPolarHBondContact O-CG 3.49Å; R148-R151 PolarHBondContact O-N 3.4Å; R151-F158 HydrophobicContact CB-CD1 4.41Å; R151-F158 HydrophobicContact CB-CE1 4.15Å; R151-F158 HydrophobicContact CG-CE1 4.46Å
152F71.4Confident69Low60 Ų6089.7 Ų89.726%0.26344%0.444SS..EExtended strand (participates in β ladder)trans-86.7125.2172.8-65.8-102.7000108.2T149 H150 F158 Y159 H161T149-F152 VanDerWaalsContact O-CE2 3.28Å; T149-F152 WeakPolarHBondContact O-CE2 3.4Å; H150-F152 PolarHBondContact O-N 3.3Å; F152-F158 WeakPolarHBondContact O-CA 3.18Å; F152-Y159 HydrophobicContact CB-CD1 4.25Å; F152-Y159 HydrophobicContact CB-CE1 3.74Å; F152-Y159 HydrophobicContact CB-CE2 4.18Å; F152-Y159 PolarHBondContact O-N 2.99Å; F152-Y159 VanDerWaalsContact O-N 3.09Å; F152-H161 HydrophobicContact CB-CB 3.83Å; F152-H161 HydrophobicContact CD1-CB 3.81Å; F152-H161 HydrophobicContact CD2-CB 3.37Å; F152-H161 AromaticContact CD2-CD2 2.97Å; F152-H161 WeakPolarHBondContact CD2-CD2 3.42Å; F152-H161 AromaticContact CD2-CG 3.2Å; F152-H161 AromaticContact CD2-NE2 3.63Å; F152-H161 HydrophobicContact CE1-CB 4.15Å; F152-H161 HydrophobicContact CE2-CB 3.75Å; F152-H161 AromaticContact CE2-CD2 3.07Å; F152-H161 WeakPolarHBondContact CE2-CD2 3.41Å; F152-H161 AromaticContact CE2-CE1 3.48Å; F152-H161 VanDerWaalsContact CE2-CE1 3.48Å; F152-H161 WeakPolarHBondContact CE2-CE1 3.34Å; F152-H161 AromaticContact CE2-CG 3.2Å; F152-H161 AromaticContact CE2-ND1 3.53Å; F152-H161 AromaticContact CE2-NE2 3.21Å; F152-H161 WeakPolarHBondContact CE2-NE2 3.47Å; F152-H161 HydrophobicContact CG-CB 3.38Å; F152-H161 AromaticContact CG-CD2 3.94Å; F152-H161 AromaticContact CG-CG 3.8Å; F152-H161 HydrophobicContact CZ-CB 4.11Å; F152-H161 AromaticContact CZ-CE1 3.99Å; F152-H161 AromaticContact CZ-CG 3.79Å; F152-H161 AromaticContact CZ-ND1 3.82Å
153S79.9Confident70.1Confident67 Ų6790.9 Ų90.947%0.46944%0.443SS..EExtended strand (participates in β ladder)trans-131139.9177.865.60000110.5H157S153-H157 CarbonylContact C-O 3.33Å; S153-H157 WeakPolarHBondContact CA-O 2.76Å; S153-H157 WeakPolarHBondContact CB-O 3.3Å
154I78.9Confident71.2Confident24 Ų2488.4 Ų88.412%0.12343%0.431CS..EExtended strand (participates in β ladder)trans-117.9122.8173.2-175.7156.6000108.1L66 G156 H157 Y159 F195 R196L66-I154 HydrophobicContact CD1-CG2 3.85Å; I154-G156 PolarHBondContact O-N 2.78Å; I154-H157 PolarHBondContact N-O 3.38Å; I154-H157 PolarHBondContact O-N 3.05Å; I154-Y159 HydrophobicContact CB-CD1 4.22Å; I154-Y159 HydrophobicContact CB-CE1 4.05Å; I154-Y159 HydrophobicContact CG2-CD1 3.85Å; I154-Y159 HydrophobicContact CG2-CE1 4.18Å; I154-F195 WeakPolarHBondContact CD1-O 3.46Å; I154-F195 HydrophobicContact CG2-CD1 3.92Å; I154-F195 HydrophobicContact CG2-CE1 4.41Å; I154-R196 HydrophobicContact CD1-CB 4.29Å; I154-R196 HydrophobicContact CD1-CG 4.03Å
155N79.3Confident72.5Confident87 Ų8786.5 Ų86.547%0.46542%0.422SS..THydrogen-bonded Turntrans48.336.4-176.5-55.3-53.3000114.3K194 F195N155-K194 VanDerWaalsContact ND2-CG 3.3Å; N155-K194 WeakPolarHBondContact ND2-CG 3.02Å; N155-K194 PolarHBondContact ND2-O 2.89Å; N155-F195 HydrophobicContact CB-CE1 3.98Å; N155-F195 HydrophobicContact CB-CZ 3.87Å
156G75.2Confident73.8Confident63 Ų6381 Ų8165%0.64940%0.396SS*.THydrogen-bonded Turntrans85.4-0.5-179.900000115.6I154I154-G156 PolarHBondContact O-N 2.78Å
157H75.8Confident75.1Confident28 Ų2876.3 Ų76.313%0.1339%0.388CS..EExtended strand (participates in β ladder)trans-103.1138.2173.8-59.8-107.8000112.2W58 S153 I154 F166 S172 F195W58-H157 AromaticContact CD1-CE1 3.72Å; W58-H157 AromaticContact NE1-CE1 3.58Å; W58-H157 AromaticContact NE1-NE2 3.75Å; S153-H157 CarbonylContact C-O 3.33Å; S153-H157 WeakPolarHBondContact CA-O 2.76Å; S153-H157 WeakPolarHBondContact CB-O 3.3Å; I154-H157 PolarHBondContact N-O 3.38Å; I154-H157 PolarHBondContact O-N 3.05Å; H157-F166 HydrophobicContact CB-CE2 3.39Å; H157-F166 HydrophobicContact CB-CZ 3.69Å; H157-F166 AromaticContact CG-CZ 3.88Å; H157-S172 PolarHBondContact CE1-OG 3.05Å; H157-F195 HydrophobicContact CB-CE1 4.29Å; H157-F195 AromaticContact CD2-CE1 3.32Å; H157-F195 WeakPolarHBondContact CD2-CE1 3.42Å; H157-F195 AromaticContact CD2-CZ 3.52Å; H157-F195 AromaticContact CG-CE1 3.92Å; H157-F195 AromaticContact NE2-CE1 3.91Å; H157-F195 AromaticContact NE2-CZ 3.68Å
158F77.6Confident76.6Confident116 Ų11672.5 Ų72.551%0.50937%0.369SS..EExtended strand (participates in β ladder)trans-78.9139.9178.6-62.5-75.4000111.5R151 F152R151-F158 HydrophobicContact CB-CD1 4.41Å; R151-F158 HydrophobicContact CB-CE1 4.15Å; R151-F158 HydrophobicContact CG-CE1 4.46Å; F152-F158 WeakPolarHBondContact O-CA 3.18Å
159Y83.5Confident78Confident62 Ų6267 Ų6724%0.24336%0.362CS..EExtended strand (participates in β ladder)trans-137156.7171.971.1-83.5000110.6L66 F152 I154 H161L66-Y159 HydrophobicContact CD1-CD1 3.96Å; L66-Y159 HydrophobicContact CD1-CD2 3.81Å; L66-Y159 HydrophobicContact CD1-CE1 4.39Å; L66-Y159 HydrophobicContact CD1-CE2 4.25Å; L66-Y159 HydrophobicContact CD1-CG 3.64Å; F152-Y159 HydrophobicContact CB-CD1 4.25Å; F152-Y159 HydrophobicContact CB-CE1 3.74Å; F152-Y159 HydrophobicContact CB-CE2 4.18Å; F152-Y159 PolarHBondContact O-N 2.99Å; F152-Y159 VanDerWaalsContact O-N 3.09Å; I154-Y159 HydrophobicContact CB-CD1 4.22Å; I154-Y159 HydrophobicContact CB-CE1 4.05Å; I154-Y159 HydrophobicContact CG2-CD1 3.85Å; I154-Y159 HydrophobicContact CG2-CE1 4.18Å; Y159-H161 HydrophobicContact CE2-CB 4.2Å; Y159-H161 PolarHBondContact O-N 3.07Å
160N82.6Confident79.6Confident76 Ų7670.2 Ų70.241%0.40636%0.364SS..EExtended strand (participates in β ladder)trans-80.7105.9174.4-175.8-15.8000108.9K162 T163 S164 V165N160-K162 VanDerWaalsContact C-N 3.27Å; N160-K162 PolarHBondContact O-N 3.15Å; N160-K162 PolarHBondContact OD1-N 3.29Å; N160-K162 VanDerWaalsContact OD1-N 3.08Å; N160-T163 WeakPolarHBondContact CB-OG1 3.41Å; N160-T163 PolarHBondContact ND2-OG1 2.93Å; N160-T163 PolarHBondContact O-N 3.33Å; N160-S164 WeakPolarHBondContact O-CA 3.42Å; N160-S164 PolarHBondContact O-N 3.47Å; N160-V165 PolarHBondContact N-O 2.85Å; N160-V165 PolarHBondContact O-N 3.33Å
161H80.3Confident81.4Confident45 Ų4566.5 Ų66.521%0.20836%0.356CS..THydrogen-bonded Turntrans-63.8-26.7-178.469.498.6000115.1M68 H150 F152 Y159M68-H161 WeakPolarHBondContact CE-O 3.38Å; H150-H161 AromaticContact CE1-CE1 3.9Å; H150-H161 AromaticContact CE1-NE2 3.5Å; H150-H161 PolarHBondContact CE1-NE2 3.25Å; H150-H161 AromaticContact ND1-CE1 4Å; H150-H161 AromaticContact ND1-NE2 3.17Å; H150-H161 PolarHBondContact ND1-NE2 3.17Å; H150-H161 VanDerWaalsContact ND1-NE2 3.17Å; F152-H161 HydrophobicContact CB-CB 3.83Å; F152-H161 HydrophobicContact CD1-CB 3.81Å; F152-H161 HydrophobicContact CD2-CB 3.37Å; F152-H161 AromaticContact CD2-CD2 2.97Å; F152-H161 WeakPolarHBondContact CD2-CD2 3.42Å; F152-H161 AromaticContact CD2-CG 3.2Å; F152-H161 AromaticContact CD2-NE2 3.63Å; F152-H161 HydrophobicContact CE1-CB 4.15Å; F152-H161 HydrophobicContact CE2-CB 3.75Å; F152-H161 AromaticContact CE2-CD2 3.07Å; F152-H161 WeakPolarHBondContact CE2-CD2 3.41Å; F152-H161 AromaticContact CE2-CE1 3.48Å; F152-H161 VanDerWaalsContact CE2-CE1 3.48Å; F152-H161 WeakPolarHBondContact CE2-CE1 3.34Å; F152-H161 AromaticContact CE2-CG 3.2Å; F152-H161 AromaticContact CE2-ND1 3.53Å; F152-H161 AromaticContact CE2-NE2 3.21Å; F152-H161 WeakPolarHBondContact CE2-NE2 3.47Å; F152-H161 HydrophobicContact CG-CB 3.38Å; F152-H161 AromaticContact CG-CD2 3.94Å; F152-H161 AromaticContact CG-CG 3.8Å; F152-H161 HydrophobicContact CZ-CB 4.11Å; F152-H161 AromaticContact CZ-CE1 3.99Å; F152-H161 AromaticContact CZ-CG 3.79Å; F152-H161 AromaticContact CZ-ND1 3.82Å; Y159-H161 HydrophobicContact CE2-CB 4.2Å; Y159-H161 PolarHBondContact O-N 3.07Å
162K82.8Confident82.8Confident148 Ų14860.5 Ų60.564%0.64334%0.337SS*.THydrogen-bonded Turntrans-75.1-34.7180-63.7-172.3176.7-175.30112N160N160-K162 VanDerWaalsContact C-N 3.27Å; N160-K162 PolarHBondContact O-N 3.15Å; N160-K162 PolarHBondContact OD1-N 3.29Å; N160-K162 VanDerWaalsContact OD1-N 3.08Å
163T84.1Confident83.9Confident66 Ų6661 Ų6141%0.40535%0.345SS..THydrogen-bonded Turntrans-107.5-5.3-176.664.20000112.5N160 V165N160-T163 WeakPolarHBondContact CB-OG1 3.41Å; N160-T163 PolarHBondContact ND2-OG1 2.93Å; N160-T163 PolarHBondContact O-N 3.33Å; T163-V165 PolarHBondContact O-N 3.34Å; T163-V165 VanDerWaalsContact O-N 3.07Å; T163-V165 WeakPolarHBondContact OG1-CB 3.15Å; T163-V165 WeakPolarHBondContact OG1-CG2 3.27Å
164S84.9Confident84.6Confident7 Ų758 Ų585%0.04932%0.324CS..THydrogen-bonded Turntrans46.232.6-169.7-61.30000114R65 L66 M68 N160R65-S164 WeakPolarHBondContact CA-O 3.37Å; L66-S164 PolarHBondContact N-O 3.16Å; L66-S164 VanDerWaalsContact O-CB 3.26Å; L66-S164 WeakPolarHBondContact O-CB 3.48Å; M68-S164 VanDerWaalsContact CE-OG 3.23Å; M68-S164 WeakPolarHBondContact CE-OG 3.5Å; M68-S164 WeakPolarHBondContact CG-OG 3.2Å; M68-S164 PolarHBondContact SD-OG 2.89Å; N160-S164 WeakPolarHBondContact O-CA 3.42Å; N160-S164 PolarHBondContact O-N 3.47Å
165V86.7Confident85.4Confident44 Ų4460.1 Ų60.127%0.26734%0.335SS..EExtended strand (participates in β ladder)trans-87.8124.9177.6174.40000108.4P63 N160 T163P63-V165 HydrophobicContact CB-CG1 3.51Å; P63-V165 HydrophobicContact CG-CG1 4.43Å; N160-V165 PolarHBondContact N-O 2.85Å; N160-V165 PolarHBondContact O-N 3.33Å; T163-V165 PolarHBondContact O-N 3.34Å; T163-V165 VanDerWaalsContact O-N 3.07Å; T163-V165 WeakPolarHBondContact OG1-CB 3.15Å; T163-V165 WeakPolarHBondContact OG1-CG2 3.27Å
166F87Confident86.1Confident1 Ų156.1 Ų56.10%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-114.3124.3176.2176.9-129.7000110.2W58 I64 L66 H157 P168 F195W58-F166 HydrophobicContact CH2-CE1 4.24Å; W58-F166 HydrophobicContact CZ2-CE1 4.2Å; I64-F166 HydrophobicContact CD1-CD1 3.5Å; I64-F166 HydrophobicContact CD1-CE1 4Å; I64-F166 HydrophobicContact CG1-CB 4.16Å; I64-F166 HydrophobicContact CG1-CD1 3.68Å; I64-F166 HydrophobicContact CG1-CG 4.3Å; I64-F166 WeakPolarHBondContact CG1-O 3.46Å; I64-F166 PolarHBondContact N-O 3.25Å; I64-F166 PolarHBondContact O-N 3.45Å; L66-F166 HydrophobicContact CD1-CB 3.88Å; L66-F166 HydrophobicContact CD1-CG 4.29Å; L66-F166 HydrophobicContact CD2-CB 3.56Å; L66-F166 HydrophobicContact CD2-CD1 3.86Å; L66-F166 HydrophobicContact CD2-CG 3.96Å; L66-F166 HydrophobicContact CG-CB 3.58Å; L66-F166 HydrophobicContact CG-CG 4.31Å; H157-F166 HydrophobicContact CB-CE2 3.39Å; H157-F166 HydrophobicContact CB-CZ 3.69Å; H157-F166 AromaticContact CG-CZ 3.88Å; F166-P168 HydrophobicContact CE1-CB 3.98Å; F166-P168 HydrophobicContact CE1-CG 4.08Å; F166-P168 HydrophobicContact CE2-CB 4.27Å; F166-P168 HydrophobicContact CZ-CB 3.63Å; F166-P168 HydrophobicContact CZ-CG 4.22Å; F166-F195 AromaticContact CE1-CD1 3.76Å; F166-F195 HydrophobicContact CE1-CD1 3.76Å; F166-F195 HydrophobicContact CE1-CE1 4.26Å; F166-F195 HydrophobicContact CE1-CG 4.39Å; F166-F195 AromaticContact CZ-CD1 3.89Å; F166-F195 HydrophobicContact CZ-CD1 3.89Å; F166-F195 AromaticContact CZ-CE1 3.98Å; F166-F195 HydrophobicContact CZ-CE1 3.98Å
167T84.3Confident87.1Confident86 Ų8657.3 Ų57.353%0.52830%0.299SS..  trans-123.992.5176.5-51.40000107.3A169T167-A169 PolarHBondContact O-N 3.11Å
168P85.6Confident88.1Confident7 Ų756.1 Ų56.15%0.04529%0.294CS..PPolyproline II helixtrans-63140.5177.724.7-30.8000109.4W58 L60 F166 Y170W58-P168 HydrophobicContact CB-CB 3.66Å; W58-P168 HydrophobicContact CB-CG 3.98Å; W58-P168 HydrophobicContact CD2-CB 3.59Å; W58-P168 HydrophobicContact CD2-CG 3.75Å; W58-P168 HydrophobicContact CE3-CB 4.02Å; W58-P168 HydrophobicContact CE3-CG 3.62Å; W58-P168 HydrophobicContact CG-CB 3.43Å; W58-P168 VanDerWaalsContact CG-CB 3.43Å; W58-P168 HydrophobicContact CG-CG 3.94Å; W58-P168 HydrophobicContact CZ3-CG 4.34Å; L60-P168 HydrophobicContact CB-CG 4.43Å; L60-P168 HydrophobicContact CD1-CG 4.04Å; F166-P168 HydrophobicContact CE1-CB 3.98Å; F166-P168 HydrophobicContact CE1-CG 4.08Å; F166-P168 HydrophobicContact CE2-CB 4.27Å; F166-P168 HydrophobicContact CZ-CB 3.63Å; F166-P168 HydrophobicContact CZ-CG 4.22Å; P168-Y170 PolarHBondContact O-N 2.95Å
169A86.6Confident88.9Confident64 Ų6451.8 Ų51.853%0.52928%0.276SS..PPolyproline II helixtrans-62.6129.3174.100000109.2T167 G171 S172T167-A169 PolarHBondContact O-N 3.11Å; A169-G171 PolarHBondContact O-N 3.15Å; A169-S172 WeakPolarHBondContact O-CB 3.45Å; A169-S172 PolarHBondContact O-N 3.47Å; A169-S172 PolarHBondContact O-OG 3.44Å
170Y90.6Very high89.4Confident161 Ų16149.1 Ų49.163%0.63127%0.266SS*.THydrogen-bonded Turntrans-57.4129.8178.5-176.2-89.2000110.4P168 S172P168-Y170 PolarHBondContact O-N 2.95Å; Y170-S172 PolarHBondContact O-N 2.99Å
171G90.8Very high89.9Confident32 Ų3247.9 Ų47.933%0.3326%0.264SS..THydrogen-bonded Turntrans76.53.1-176.600000114.9Y57 W58 A169Y57-G171 WeakPolarHBondContact CD1-O 3.18Å; W58-G171 PolarHBondContact O-N 3.39Å; A169-G171 PolarHBondContact O-N 3.15Å
172S92.2Very high90.6Very high27 Ų2747.4 Ų47.419%0.18926%0.262CS..  trans-67.6148.5166.663.10000110.4Y57 W58 H157 A169 Y170Y57-S172 CarbonylContact C-O 3.58Å; Y57-S172 WeakPolarHBondContact CA-O 3.43Å; W58-S172 VanDerWaalsContact CD1-OG 3.27Å; W58-S172 PolarHBondContact N-O 3.47Å; H157-S172 PolarHBondContact CE1-OG 3.05Å; A169-S172 WeakPolarHBondContact O-CB 3.45Å; A169-S172 PolarHBondContact O-N 3.47Å; A169-S172 PolarHBondContact O-OG 3.44Å; Y170-S172 PolarHBondContact O-N 2.99Å
173V93.8Very high91.2Very high69 Ų6942.2 Ų42.242%0.41824%0.243SC..EExtended strand (participates in β ladder)trans-111.4139.1-171.9640000111.1N55 Y57N55-V173 HydrophobicContact CB-CG2 3.64Å; Y57-V173 HydrophobicContact CD1-CB 4.06Å; Y57-V173 HydrophobicContact CD1-CG2 4.42Å; Y57-V173 HydrophobicContact CE1-CB 3.85Å; Y57-V173 HydrophobicContact CE1-CG2 4.12Å; Y57-V173 HydrophobicContact CE2-CG2 4.22Å
174T94.5Very high91.8Very high6 Ų639.2 Ų39.24%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-121.4133.3165.8-57.20000109.2I56 W58 L191 K194 F195I56-T174 PolarHBondContact N-O 3.29Å; I56-T174 PolarHBondContact O-N 3.24Å; W58-T174 PolarHBondContact NE1-OG1 3.31Å; T174-L191 HydrophobicContact CG2-CD1 3.7Å; T174-K194 HydrophobicContact CG2-CD 4.05Å; T174-F195 HydrophobicContact CG2-CE2 3.51Å; T174-F195 HydrophobicContact CG2-CZ 3.97Å; T174-F195 WeakPolarHBondContact OG1-CZ 3.49Å
175N94.5Very high92.2Very high67 Ų6739.7 Ų39.736%0.35823%0.231SC..EExtended strand (participates in β ladder)trans-87.4140.7168.359.312.6000111.9L54 K194L54-N175 CarbonylContact O-C 3.46Å; L54-N175 WeakPolarHBondContact O-CA 3.37Å; N175-K194 PolarHBondContact O-NZ 2.95Å; N175-K194 PolarHBondContact OD1-NZ 3.03Å
176V95.4Very high92.6Very high4 Ų442.3 Ų42.32%0.02424%0.24CC..EExtended strand (participates in β ladder)trans-128.1142.2171.1-69.10000109.5L53 L54 I56 V178 V187 L190 L191L53-V176 CarbonylContact C-O 3.5Å; L53-V176 WeakPolarHBondContact CA-O 3.38Å; L54-V176 HydrophobicContact CB-CG2 4.19Å; L54-V176 PolarHBondContact N-O 2.83Å; L54-V176 PolarHBondContact O-N 3.33Å; I56-V176 HydrophobicContact CD1-CG2 3.62Å; I56-V176 HydrophobicContact CG1-CG2 4.23Å; V176-V178 HydrophobicContact CB-CG1 4.32Å; V176-V178 HydrophobicContact CG2-CG1 3.79Å; V176-V187 HydrophobicContact CG2-CG1 4.23Å; V176-L190 HydrophobicContact CB-CD2 4.11Å; V176-L191 HydrophobicContact CG1-CB 4.25Å; V176-L191 HydrophobicContact CG1-CD1 4.05Å
177R95.5Very high93.1Very high87 Ų8742.3 Ų42.333%0.32824%0.24SC..EExtended strand (participates in β ladder)trans-85.6119175.8-171.578.5-175.8164.212.4108.2E51 G52 L53 L190E51-R177 PolarHBondContact O-NH2 2.85Å; E51-R177 IonicContact OE1-CZ 3.28Å; E51-R177 VanDerWaalsContact OE1-CZ 3.28Å; E51-R177 IonicContact OE1-NE 2.92Å; E51-R177 PolarHBondContact OE1-NE 2.84Å; E51-R177 IonicContact OE1-NH2 2.67Å; E51-R177 PolarHBondContact OE1-NH2 3.33Å; G52-R177 VanDerWaalsContact CA-NH1 3.35Å; G52-R177 WeakPolarHBondContact O-CA 3.41Å; G52-R177 WeakPolarHBondContact O-CD 3.28Å; L53-R177 HydrophobicContact CD2-CB 4.25Å; R177-L190 VanDerWaalsContact O-CD2 3.31Å; R177-L190 WeakPolarHBondContact O-CD2 3.22Å
178V96.8Very high93.6Very high3 Ų338.5 Ų38.52%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-137.2164-173.5-62.60000110.9E51 G52 L54 V176 M182 V187 L190 L225E51-V178 WeakPolarHBondContact CA-O 3.46Å; G52-V178 PolarHBondContact N-O 2.95Å; G52-V178 PolarHBondContact O-N 3.28Å; L54-V178 HydrophobicContact CB-CG2 3.53Å; L54-V178 HydrophobicContact CD2-CG2 4.07Å; L54-V178 HydrophobicContact CG-CG2 4.4Å; V176-V178 HydrophobicContact CB-CG1 4.32Å; V176-V178 HydrophobicContact CG2-CG1 3.79Å; V178-M182 HydrophobicContact CB-SD 4.07Å; V178-M182 HydrophobicContact CG1-SD 4.18Å; V178-V187 HydrophobicContact CB-CG2 4.34Å; V178-V187 HydrophobicContact CG1-CB 4.44Å; V178-V187 HydrophobicContact CG1-CG1 4.03Å; V178-V187 HydrophobicContact CG1-CG2 3.77Å; V178-L190 HydrophobicContact CG1-CD2 4.22Å; V178-L225 HydrophobicContact CG2-CB 3.99Å; V178-L225 HydrophobicContact CG2-CD1 3.98Å; V178-L225 HydrophobicContact CG2-CD2 4.23Å; V178-L225 HydrophobicContact CG2-CG 4.28Å
179N95.3Very high94Very high26 Ų2641.9 Ų41.914%0.13923%0.234CC..EExtended strand (participates in β ladder)trans-123.7175.3173.271.726.5000111.7I49 L50 E51 S181 M182I49-N179 HydrophobicContact CG2-CB 3.89Å; L50-N179 CarbonylContact O-C 3.58Å; L50-N179 WeakPolarHBondContact O-CA 3.36Å; L50-N179 VanDerWaalsContact O-CB 3.27Å; L50-N179 WeakPolarHBondContact O-CB 3.49Å; E51-N179 HydrophobicContact CB-CB 4.36Å; E51-N179 HydrophobicContact CG-CB 4.2Å; N179-S181 VanDerWaalsContact C-N 3.31Å; N179-S181 PolarHBondContact ND2-OG 3.33Å; N179-S181 PolarHBondContact O-N 3.43Å; N179-S181 PolarHBondContact OD1-N 2.82Å; N179-S181 PolarHBondContact OD1-OG 2.89Å; N179-M182 VanDerWaalsContact OD1-CG 3.25Å; N179-M182 WeakPolarHBondContact OD1-CG 3.18Å; N179-M182 PolarHBondContact OD1-N 2.81Å
180S93.8Very high94.4Very high5 Ų542 Ų424%0.03523%0.226CC..THydrogen-bonded Turntrans-76.1-12.1-179.455.80000114.9I49 L50 H223I49-S180 WeakPolarHBondContact CA-OG 3.48Å; L50-S180 PolarHBondContact N-OG 3.33Å; L50-S180 PolarHBondContact O-N 3.49Å; S180-H223 PolarHBondContact O-ND1 3.36Å
181S92.7Very high94.6Very high51 Ų5134.3 Ų34.336%0.35720%0.196SC..THydrogen-bonded Turntrans-90.9-14.9175.157.80000112.8N179 H223N179-S181 VanDerWaalsContact C-N 3.31Å; N179-S181 PolarHBondContact ND2-OG 3.33Å; N179-S181 PolarHBondContact O-N 3.43Å; N179-S181 PolarHBondContact OD1-N 2.82Å; N179-S181 PolarHBondContact OD1-OG 2.89Å; S181-H223 PolarHBondContact O-CE1 2.89Å; S181-H223 VanDerWaalsContact O-CE1 3.3Å; S181-H223 PolarHBondContact O-ND1 2.93Å
182M94.9Very high94.8Very high35 Ų3533.1 Ų33.117%0.17218%0.182CC..  trans-69.2131.9177.6-77.1-179.585.400111.8V178 N179 Q186 V187 L190 H223V178-M182 HydrophobicContact CB-SD 4.07Å; V178-M182 HydrophobicContact CG1-SD 4.18Å; N179-M182 VanDerWaalsContact OD1-CG 3.25Å; N179-M182 WeakPolarHBondContact OD1-CG 3.18Å; N179-M182 PolarHBondContact OD1-N 2.81Å; M182-Q186 VanDerWaalsContact CA-OE1 3.24Å; M182-Q186 HydrophobicContact CE-CB 3.94Å; M182-V187 HydrophobicContact CB-CG2 3.95Å; M182-V187 HydrophobicContact CE-CG2 4.32Å; M182-L190 HydrophobicContact CE-CD2 4.21Å; M182-H223 PolarHBondContact O-ND1 2.93Å
183T95.8Very high94.7Very high39 Ų3939 Ų3924%0.23921%0.206CC..  trans-83.9164.4175.8660000111.9G185 Q186 V187 N220 E222T183-G185 VanDerWaalsContact C-N 3.26Å; T183-G185 PolarHBondContact O-N 3.33Å; T183-Q186 PolarHBondContact O-N 3.42Å; T183-Q186 WeakPolarHBondContact OG1-CG 3.43Å; T183-V187 WeakPolarHBondContact O-CG2 3.38Å; T183-V187 PolarHBondContact O-N 3.42Å; T183-N220 WeakPolarHBondContact CB-O 3.38Å; T183-E222 CarbonylContact C-O 3.59Å; T183-E222 WeakPolarHBondContact CA-O 3.4Å
184T95.9Very high94.6Very high2 Ų239 Ų391%0.01220%0.2CC..Hα-helixtrans-52.3-44.4176.1-58.20000112Q186 V187 L188 L206 L218 K219 E222 P224T184-Q186 PolarHBondContact O-N 3.44Å; T184-V187 PolarHBondContact O-N 2.99Å; T184-L188 VanDerWaalsContact O-CB 3.23Å; T184-L188 WeakPolarHBondContact O-CB 3.37Å; T184-L188 PolarHBondContact O-N 2.88Å; T184-L206 HydrophobicContact CG2-CB 3.97Å; T184-L206 HydrophobicContact CG2-CD1 3.91Å; T184-L206 HydrophobicContact CG2-CG 4.09Å; T184-L218 HydrophobicContact CG2-CB 3.98Å; T184-K219 WeakPolarHBondContact CB-O 3.29Å; T184-K219 PolarHBondContact OG1-O 3.03Å; T184-E222 PolarHBondContact N-O 3.13Å; T184-E222 PolarHBondContact OG1-O 3.28Å; T184-E222 VanDerWaalsContact OG1-O 3.07Å; T184-P224 HydrophobicContact CG2-CG 4.45Å
185G94.7Very high94.3Very high18 Ų1838.7 Ų38.719%0.18620%0.198CC..Hα-helixtrans-63-38.517800000113.2T183 N189T183-G185 VanDerWaalsContact C-N 3.26Å; T183-G185 PolarHBondContact O-N 3.33Å; G185-N189 WeakPolarHBondContact O-CB 3.4Å; G185-N189 PolarHBondContact O-N 2.73Å; G185-N189 PolarHBondContact O-ND2 2.89Å
186Q95.1Very high93.9Very high99 Ų9940 Ų4046%0.46320%0.198SC..Hα-helixtrans-69.6-42.2177.2-69.3173.1-23.300112M182 T183 T184 L188 N189 L190M182-Q186 VanDerWaalsContact CA-OE1 3.24Å; M182-Q186 HydrophobicContact CE-CB 3.94Å; T183-Q186 PolarHBondContact O-N 3.42Å; T183-Q186 WeakPolarHBondContact OG1-CG 3.43Å; T184-Q186 PolarHBondContact O-N 3.44Å; Q186-L188 VanDerWaalsContact C-N 3.34Å; Q186-N189 PolarHBondContact O-N 3.27Å; Q186-L190 WeakPolarHBondContact O-CB 3.3Å; Q186-L190 PolarHBondContact O-N 2.96Å
187V96.4Very high93.6Very high1 Ų140.7 Ų40.71%0.00620%0.203CC..Hα-helixtrans-64.4-41.8176.6174.60000111L54 I56 V176 V178 M182 T183 T184 L190 L191 L206 P224L54-V187 HydrophobicContact CD2-CG1 4.26Å; I56-V187 HydrophobicContact CD1-CG1 3.73Å; V176-V187 HydrophobicContact CG2-CG1 4.23Å; V178-V187 HydrophobicContact CB-CG2 4.34Å; V178-V187 HydrophobicContact CG1-CB 4.44Å; V178-V187 HydrophobicContact CG1-CG1 4.03Å; V178-V187 HydrophobicContact CG1-CG2 3.77Å; M182-V187 HydrophobicContact CB-CG2 3.95Å; M182-V187 HydrophobicContact CE-CG2 4.32Å; T183-V187 WeakPolarHBondContact O-CG2 3.38Å; T183-V187 PolarHBondContact O-N 3.42Å; T184-V187 PolarHBondContact O-N 2.99Å; V187-L190 WeakPolarHBondContact O-CB 3.46Å; V187-L190 PolarHBondContact O-N 2.82Å; V187-L191 PolarHBondContact O-N 3.07Å; V187-L206 HydrophobicContact CG1-CD1 4.25Å; V187-P224 HydrophobicContact CB-CG 4.16Å; V187-P224 HydrophobicContact CG1-CG 4.46Å; V187-P224 HydrophobicContact CG2-CB 4.48Å; V187-P224 HydrophobicContact CG2-CG 4Å
188L95.6Very high93.2Very high6 Ų642.6 Ų42.63%0.03122%0.215CC..Hα-helixtrans-61.6-48.8175.9-179.461000111.2T184 Q186 L190 L191 L192 S201 F204 L206 I242T184-L188 VanDerWaalsContact O-CB 3.23Å; T184-L188 WeakPolarHBondContact O-CB 3.37Å; T184-L188 PolarHBondContact O-N 2.88Å; Q186-L188 VanDerWaalsContact C-N 3.34Å; L188-L190 VanDerWaalsContact C-N 3.32Å; L188-L190 PolarHBondContact O-N 3.48Å; L188-L191 WeakPolarHBondContact O-CB 3.45Å; L188-L191 PolarHBondContact O-N 2.92Å; L188-L191 VanDerWaalsContact O-N 3.15Å; L188-L192 HydrophobicContact CD1-CD1 4.31Å; L188-L192 HydrophobicContact CD1-CG 4.36Å; L188-L192 HydrophobicContact CG-CD1 4.12Å; L188-L192 WeakPolarHBondContact O-CG 3.24Å; L188-L192 PolarHBondContact O-N 3.07Å; L188-S201 WeakPolarHBondContact CD2-O 3.4Å; L188-F204 HydrophobicContact CD1-CB 3.94Å; L188-F204 HydrophobicContact CD2-CB 4.11Å; L188-F204 WeakPolarHBondContact CD2-O 3.29Å; L188-L206 HydrophobicContact CD1-CD2 4.08Å; L188-L206 HydrophobicContact CD1-CG 4.36Å; L188-I242 HydrophobicContact CD1-CD1 3.46Å; L188-I242 VanDerWaalsContact CD1-CD1 3.46Å; L188-I242 HydrophobicContact CD1-CG1 3.96Å
189N94.3Very high92.6Very high78 Ų7845.1 Ų45.142%0.41723%0.229SC..Hα-helixtrans-60.8-39.3176-81.9-52.3000112.6G185 Q186 L191 L192 H193 S201G185-N189 WeakPolarHBondContact O-CB 3.4Å; G185-N189 PolarHBondContact O-N 2.73Å; G185-N189 PolarHBondContact O-ND2 2.89Å; Q186-N189 PolarHBondContact O-N 3.27Å; N189-L191 VanDerWaalsContact C-N 3.3Å; N189-L191 PolarHBondContact O-N 2.8Å; N189-L192 PolarHBondContact O-N 2.86Å; N189-H193 WeakPolarHBondContact O-CB 3.26Å; N189-H193 PolarHBondContact O-N 2.81Å; N189-S201 VanDerWaalsContact OD1-CB 3.32Å; N189-S201 WeakPolarHBondContact OD1-CB 3.47Å
190L94.9Very high92.2Very high66 Ų6649.1 Ų49.135%0.34625%0.25SC..Hα-helixtrans-60.2-42175.3-176.668000111.6V176 R177 V178 M182 Q186 V187 L188 K194V176-L190 HydrophobicContact CB-CD2 4.11Å; R177-L190 VanDerWaalsContact O-CD2 3.31Å; R177-L190 WeakPolarHBondContact O-CD2 3.22Å; V178-L190 HydrophobicContact CG1-CD2 4.22Å; M182-L190 HydrophobicContact CE-CD2 4.21Å; Q186-L190 WeakPolarHBondContact O-CB 3.3Å; Q186-L190 PolarHBondContact O-N 2.96Å; V187-L190 WeakPolarHBondContact O-CB 3.46Å; V187-L190 PolarHBondContact O-N 2.82Å; L188-L190 VanDerWaalsContact C-N 3.32Å; L188-L190 PolarHBondContact O-N 3.48Å; L190-K194 VanDerWaalsContact O-CB 3.31Å; L190-K194 WeakPolarHBondContact O-CB 3.37Å; L190-K194 PolarHBondContact O-N 3.45Å
191L94.8Very high92Very high0 Ų050.7 Ų50.70%026%0.261CS..Hα-helixtrans-65.6-50.1175.9178.463.4000111.4I56 W58 T174 V176 V187 L188 N189 H193 K194 F195 I242I56-L191 HydrophobicContact CB-CD2 4.06Å; I56-L191 HydrophobicContact CD1-CB 4.43Å; I56-L191 HydrophobicContact CD1-CD2 3.97Å; I56-L191 HydrophobicContact CG2-CD2 3.63Å; W58-L191 HydrophobicContact CH2-CD1 4.45Å; W58-L191 HydrophobicContact CH2-CD2 4.37Å; W58-L191 HydrophobicContact CH2-CG 4.23Å; W58-L191 HydrophobicContact CZ2-CD1 4.07Å; W58-L191 HydrophobicContact CZ2-CG 4.34Å; T174-L191 HydrophobicContact CG2-CD1 3.7Å; V176-L191 HydrophobicContact CG1-CB 4.25Å; V176-L191 HydrophobicContact CG1-CD1 4.05Å; V187-L191 PolarHBondContact O-N 3.07Å; L188-L191 WeakPolarHBondContact O-CB 3.45Å; L188-L191 PolarHBondContact O-N 2.92Å; L188-L191 VanDerWaalsContact O-N 3.15Å; N189-L191 VanDerWaalsContact C-N 3.3Å; N189-L191 PolarHBondContact O-N 2.8Å; L191-H193 VanDerWaalsContact C-N 3.34Å; L191-H193 PolarHBondContact O-N 2.9Å; L191-K194 WeakPolarHBondContact O-CB 3.27Å; L191-K194 PolarHBondContact O-N 2.83Å; L191-F195 HydrophobicContact CD1-CD2 4.09Å; L191-F195 HydrophobicContact CD1-CE2 3.94Å; L191-F195 WeakPolarHBondContact O-CD2 3.41Å; L191-F195 PolarHBondContact O-N 3.13Å; L191-I242 HydrophobicContact CD2-CB 4.35Å; L191-I242 HydrophobicContact CD2-CD1 4.04Å; L191-I242 HydrophobicContact CD2-CG2 4.12Å
192L92.9Very high91.9Very high7 Ų756.1 Ų56.14%0.03728%0.28CS..Hα-helixtrans-62.1-41.9-179.3-66177.2000111.6L188 N189 F195 R196 V197 F204 I242L188-L192 HydrophobicContact CD1-CD1 4.31Å; L188-L192 HydrophobicContact CD1-CG 4.36Å; L188-L192 HydrophobicContact CG-CD1 4.12Å; L188-L192 WeakPolarHBondContact O-CG 3.24Å; L188-L192 PolarHBondContact O-N 3.07Å; N189-L192 PolarHBondContact O-N 2.86Å; L192-F195 CarbonylContact O-C 3.49Å; L192-F195 PolarHBondContact O-N 3.28Å; L192-F195 VanDerWaalsContact O-N 3.16Å; L192-R196 PolarHBondContact O-N 3.38Å; L192-V197 HydrophobicContact CB-CB 4.17Å; L192-V197 HydrophobicContact CB-CG2 4.45Å; L192-V197 HydrophobicContact CD2-CB 3.99Å; L192-V197 HydrophobicContact CD2-CG1 4.1Å; L192-V197 HydrophobicContact CD2-CG2 3.9Å; L192-V197 PolarHBondContact O-N 3.16Å; L192-F204 HydrophobicContact CD1-CD2 3.7Å; L192-F204 HydrophobicContact CD1-CE2 4.16Å; L192-F204 HydrophobicContact CD2-CD2 3.93Å; L192-F204 HydrophobicContact CD2-CE2 3.97Å; L192-F204 HydrophobicContact CD2-CG 4.43Å; L192-F204 HydrophobicContact CG-CD2 4.47Å; L192-I242 HydrophobicContact CD2-CD1 3.99Å
193H91.3Very high91.7Very high150 Ų15057.9 Ų57.969%0.69429%0.29SS*.Hα-helixtrans-65.1-40.1175.7-177.1-91.8000112.2N189 L191 F195 R196N189-H193 WeakPolarHBondContact O-CB 3.26Å; N189-H193 PolarHBondContact O-N 2.81Å; L191-H193 VanDerWaalsContact C-N 3.34Å; L191-H193 PolarHBondContact O-N 2.9Å; H193-F195 PolarHBondContact O-N 3.13Å; H193-R196 PolarHBondContact O-N 2.89Å
194K91.2Very high91.6Very high69 Ų6956.5 Ų56.530%0.328%0.281SS..Hα-helixtrans-54.6-35.9174173.5170176.2173.60111.1N155 T174 N175 L190 L191N155-K194 VanDerWaalsContact ND2-CG 3.3Å; N155-K194 WeakPolarHBondContact ND2-CG 3.02Å; N155-K194 PolarHBondContact ND2-O 2.89Å; T174-K194 HydrophobicContact CG2-CD 4.05Å; N175-K194 PolarHBondContact O-NZ 2.95Å; N175-K194 PolarHBondContact OD1-NZ 3.03Å; L190-K194 VanDerWaalsContact O-CB 3.31Å; L190-K194 WeakPolarHBondContact O-CB 3.37Å; L190-K194 PolarHBondContact O-N 3.45Å; L191-K194 WeakPolarHBondContact O-CB 3.27Å; L191-K194 PolarHBondContact O-N 2.83Å
195F89.4Confident91.5Very high0 Ų056.8 Ų56.80%028%0.283CS..THydrogen-bonded Turntrans-96.61.6177.8-75.7-93000114.9W58 L66 I154 N155 H157 F166 T174 L191 L192 H193 V197W58-F195 HydrophobicContact CH2-CD2 4.15Å; W58-F195 HydrophobicContact CH2-CG 4.29Å; W58-F195 HydrophobicContact CZ2-CD1 4.22Å; W58-F195 AromaticContact CZ2-CD2 3.62Å; W58-F195 HydrophobicContact CZ2-CD2 3.62Å; W58-F195 HydrophobicContact CZ2-CE1 4.21Å; W58-F195 AromaticContact CZ2-CE2 3.6Å; W58-F195 HydrophobicContact CZ2-CE2 3.6Å; W58-F195 AromaticContact CZ2-CG 3.93Å; W58-F195 HydrophobicContact CZ2-CG 3.93Å; W58-F195 AromaticContact CZ2-CZ 3.9Å; W58-F195 HydrophobicContact CZ2-CZ 3.9Å; L66-F195 VanDerWaalsContact CD2-O 3.23Å; L66-F195 WeakPolarHBondContact CD2-O 3.4Å; I154-F195 WeakPolarHBondContact CD1-O 3.46Å; I154-F195 HydrophobicContact CG2-CD1 3.92Å; I154-F195 HydrophobicContact CG2-CE1 4.41Å; N155-F195 HydrophobicContact CB-CE1 3.98Å; N155-F195 HydrophobicContact CB-CZ 3.87Å; H157-F195 HydrophobicContact CB-CE1 4.29Å; H157-F195 AromaticContact CD2-CE1 3.32Å; H157-F195 WeakPolarHBondContact CD2-CE1 3.42Å; H157-F195 AromaticContact CD2-CZ 3.52Å; H157-F195 AromaticContact CG-CE1 3.92Å; H157-F195 AromaticContact NE2-CE1 3.91Å; H157-F195 AromaticContact NE2-CZ 3.68Å; F166-F195 AromaticContact CE1-CD1 3.76Å; F166-F195 HydrophobicContact CE1-CD1 3.76Å; F166-F195 HydrophobicContact CE1-CE1 4.26Å; F166-F195 HydrophobicContact CE1-CG 4.39Å; F166-F195 AromaticContact CZ-CD1 3.89Å; F166-F195 HydrophobicContact CZ-CD1 3.89Å; F166-F195 AromaticContact CZ-CE1 3.98Å; F166-F195 HydrophobicContact CZ-CE1 3.98Å; T174-F195 HydrophobicContact CG2-CE2 3.51Å; T174-F195 HydrophobicContact CG2-CZ 3.97Å; T174-F195 WeakPolarHBondContact OG1-CZ 3.49Å; L191-F195 HydrophobicContact CD1-CD2 4.09Å; L191-F195 HydrophobicContact CD1-CE2 3.94Å; L191-F195 WeakPolarHBondContact O-CD2 3.41Å; L191-F195 PolarHBondContact O-N 3.13Å; L192-F195 CarbonylContact O-C 3.49Å; L192-F195 PolarHBondContact O-N 3.28Å; L192-F195 VanDerWaalsContact O-N 3.16Å; H193-F195 PolarHBondContact O-N 3.13Å; F195-V197 VanDerWaalsContact C-N 3.27Å; F195-V197 HydrophobicContact CB-CG2 3.91Å; F195-V197 PolarHBondContact O-N 3.37Å
196R85.9Confident91.6Very high93 Ų9356 Ų5635%0.35127%0.274SS..THydrogen-bonded Turntrans53.942.7-176.8-55.3179.8176.1-162.2-5.7112.7L66 Q67 I154 L192 H193L66-R196 CarbonylContact C-O 3.59Å; L66-R196 VanDerWaalsContact CA-O 3.27Å; L66-R196 WeakPolarHBondContact CA-O 3.43Å; Q67-R196 HydrophobicContact CB-CB 4.37Å; Q67-R196 PolarHBondContact N-O 2.95Å; I154-R196 HydrophobicContact CD1-CB 4.29Å; I154-R196 HydrophobicContact CD1-CG 4.03Å; L192-R196 PolarHBondContact O-N 3.38Å; H193-R196 PolarHBondContact O-N 2.89Å
197V89.1Confident91.6Very high20 Ų2051.4 Ų51.412%0.12125%0.253CS..BIsolated β-bridgetrans-70.2132.1178.1-179.80000109.4I64 R65 L66 L192 F195 N199 F204I64-V197 HydrophobicContact CD1-CG1 4.4Å; I64-V197 HydrophobicContact CD1-CG2 3.86Å; R65-V197 WeakPolarHBondContact O-CA 3.44Å; L66-V197 HydrophobicContact CD2-CG2 4.16Å; L192-V197 HydrophobicContact CB-CB 4.17Å; L192-V197 HydrophobicContact CB-CG2 4.45Å; L192-V197 HydrophobicContact CD2-CB 3.99Å; L192-V197 HydrophobicContact CD2-CG1 4.1Å; L192-V197 HydrophobicContact CD2-CG2 3.9Å; L192-V197 PolarHBondContact O-N 3.16Å; F195-V197 VanDerWaalsContact C-N 3.27Å; F195-V197 HydrophobicContact CB-CG2 3.91Å; F195-V197 PolarHBondContact O-N 3.37Å; V197-N199 HydrophobicContact CG1-CB 3.78Å; V197-F204 HydrophobicContact CG1-CE2 4.27Å; V197-F204 HydrophobicContact CG1-CZ 4.37Å
198E85.8Confident91.6Very high126 Ų12651.4 Ų51.459%0.58925%0.253SS*.  trans-81.2-27.2178.6-174.4-176.5-17700112.2R65R65-E198 HydrophobicContact CB-CB 4.38Å; R65-E198 PolarHBondContact O-N 2.84Å
199N85.4Confident91.5Very high57 Ų5753 Ų5331%0.30526%0.263SS..SBendtrans-61.5153.7-179.2-6794.2000113.1R65 V197 F204R65-N199 PolarHBondContact N-OD1 3.11Å; R65-N199 VanDerWaalsContact N-OD1 3.11Å; V197-N199 HydrophobicContact CG1-CB 3.78Å; N199-F204 HydrophobicContact CB-CE2 3.62Å; N199-F204 HydrophobicContact CB-CZ 3.84Å
200N87.3Confident91.5Very high110 Ų11051.7 Ų51.759%0.58825%0.254SS*.  trans-67.1143.6177-68.3-36.5000110.4E202 D203 F204N200-E202 PolarHBondContact O-N 2.89Å; N200-D203 WeakPolarHBondContact O-CB 3.5Å; N200-D203 PolarHBondContact O-N 2.83Å; N200-D203 VanDerWaalsContact O-N 3.16Å; N200-F204 VanDerWaalsContact O-CD2 3.31Å; N200-F204 WeakPolarHBondContact O-CD2 3.41Å; N200-F204 WeakPolarHBondContact O-CE2 3.34Å
201S88.9Confident91.3Very high37 Ų3754.1 Ų54.126%0.25926%0.263SS..G310 helixtrans-63.7-22.217659.70000113.2L188 N189 D203 F204L188-S201 WeakPolarHBondContact CD2-O 3.4Å; N189-S201 VanDerWaalsContact OD1-CB 3.32Å; N189-S201 WeakPolarHBondContact OD1-CB 3.47Å; S201-D203 VanDerWaalsContact C-N 3.26Å; S201-D203 PolarHBondContact O-N 2.8Å; S201-F204 PolarHBondContact O-N 2.78Å; S201-F204 VanDerWaalsContact O-O 3.05Å
202E89.8Confident91.1Very high165 Ų16555.3 Ų55.377%0.77127%0.272SS*.G310 helixtrans-70-21.9177.6-63.2-178.9177.700113.3N200 F204 A245N200-E202 PolarHBondContact O-N 2.89Å; E202-F204 PolarHBondContact O-N 2.9Å; E202-A245 WeakPolarHBondContact O-CB 3.19Å
203D90.9Very high90.8Very high72 Ų7256.1 Ų56.139%0.38528%0.282SS..G310 helixtrans-70.6-10.9175.3-61.5-24.8000111.6N200 S201 E244 A245N200-D203 WeakPolarHBondContact O-CB 3.5Å; N200-D203 PolarHBondContact O-N 2.83Å; N200-D203 VanDerWaalsContact O-N 3.16Å; S201-D203 VanDerWaalsContact C-N 3.26Å; S201-D203 PolarHBondContact O-N 2.8Å; D203-E244 CarbonylContact O-C 3.41Å; D203-E244 WeakPolarHBondContact O-CA 3.34Å; D203-A245 PolarHBondContact O-N 3.42Å
204F93.5Very high90.8Very high10 Ų1051.1 Ų51.14%0.04426%0.259CS..EExtended strand (participates in β ladder)trans-124.1146.8-174.1-53.4-74.2000112L60 I64 L188 L192 V197 N199 N200 S201 E202 I242 T243L60-F204 HydrophobicContact CD1-CE1 4.02Å; L60-F204 HydrophobicContact CD2-CD1 3.66Å; L60-F204 HydrophobicContact CD2-CE1 3.72Å; I64-F204 HydrophobicContact CG2-CE1 3.7Å; I64-F204 HydrophobicContact CG2-CZ 3.6Å; L188-F204 HydrophobicContact CD1-CB 3.94Å; L188-F204 HydrophobicContact CD2-CB 4.11Å; L188-F204 WeakPolarHBondContact CD2-O 3.29Å; L192-F204 HydrophobicContact CD1-CD2 3.7Å; L192-F204 HydrophobicContact CD1-CE2 4.16Å; L192-F204 HydrophobicContact CD2-CD2 3.93Å; L192-F204 HydrophobicContact CD2-CE2 3.97Å; L192-F204 HydrophobicContact CD2-CG 4.43Å; L192-F204 HydrophobicContact CG-CD2 4.47Å; V197-F204 HydrophobicContact CG1-CE2 4.27Å; V197-F204 HydrophobicContact CG1-CZ 4.37Å; N199-F204 HydrophobicContact CB-CE2 3.62Å; N199-F204 HydrophobicContact CB-CZ 3.84Å; N200-F204 VanDerWaalsContact O-CD2 3.31Å; N200-F204 WeakPolarHBondContact O-CD2 3.41Å; N200-F204 WeakPolarHBondContact O-CE2 3.34Å; S201-F204 PolarHBondContact O-N 2.78Å; S201-F204 VanDerWaalsContact O-O 3.05Å; E202-F204 PolarHBondContact O-N 2.9Å; F204-I242 HydrophobicContact CB-CD1 3.98Å; F204-I242 HydrophobicContact CB-CG1 4.03Å; F204-I242 HydrophobicContact CD1-CD1 4.16Å; F204-I242 HydrophobicContact CD1-CG1 4.32Å; F204-I242 HydrophobicContact CG-CD1 4.09Å; F204-I242 HydrophobicContact CG-CG1 4.44Å; F204-T243 WeakPolarHBondContact CA-O 3.23Å
205V94.8Very high90.8Very high8 Ų850.2 Ų50.25%0.04825%0.254CS..EExtended strand (participates in β ladder)trans-136.6144178.7176.90000109Y207 R217 T243 A245V205-Y207 HydrophobicContact CB-CD2 4.41Å; V205-Y207 HydrophobicContact CB-CE2 3.86Å; V205-Y207 HydrophobicContact CG1-CD2 4.04Å; V205-Y207 HydrophobicContact CG1-CE2 3.55Å; V205-R217 HydrophobicContact CG1-CG 3.58Å; V205-T243 PolarHBondContact N-O 2.93Å; V205-T243 PolarHBondContact O-N 3.38Å; V205-A245 HydrophobicContact CG2-CB 3.71Å
206L96.2Very high91Very high1 Ų152.1 Ų52.11%0.00527%0.265CS..EExtended strand (participates in β ladder)trans-90.6130.9170.9-62.1-174.8000110.1I56 T184 V187 L188 L218 P224 I240 F241 I242I56-L206 HydrophobicContact CG2-CD2 4.06Å; T184-L206 HydrophobicContact CG2-CB 3.97Å; T184-L206 HydrophobicContact CG2-CD1 3.91Å; T184-L206 HydrophobicContact CG2-CG 4.09Å; V187-L206 HydrophobicContact CG1-CD1 4.25Å; L188-L206 HydrophobicContact CD1-CD2 4.08Å; L188-L206 HydrophobicContact CD1-CG 4.36Å; L206-L218 HydrophobicContact CB-CB 4.25Å; L206-L218 HydrophobicContact CB-CD1 4.09Å; L206-L218 WeakPolarHBondContact O-CB 3.18Å; L206-L218 PolarHBondContact O-N 2.85Å; L206-P224 HydrophobicContact CD1-CG 4.36Å; L206-I240 HydrophobicContact CB-CG2 4.34Å; L206-I240 HydrophobicContact CD2-CG2 4.45Å; L206-F241 CarbonylContact C-O 3.5Å; L206-F241 VanDerWaalsContact CA-O 3.3Å; L206-F241 WeakPolarHBondContact CA-O 3.29Å; L206-I242 HydrophobicContact CD2-CB 3.83Å; L206-I242 HydrophobicContact CD2-CG1 4.29Å
207Y95.7Very high91.4Very high3 Ų352.2 Ų52.21%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-117.6136.2175-78.3-85.7000110.4V205 R215 T216 R217 I240 F241 T243 G248 E250V205-Y207 HydrophobicContact CB-CD2 4.41Å; V205-Y207 HydrophobicContact CB-CE2 3.86Å; V205-Y207 HydrophobicContact CG1-CD2 4.04Å; V205-Y207 HydrophobicContact CG1-CE2 3.55Å; Y207-R215 HydrophobicContact CD1-CG 3.5Å; Y207-R215 VanDerWaalsContact CD1-NE 3.32Å; Y207-R215 VanDerWaalsContact CD2-NH2 3.26Å; Y207-R215 HydrophobicContact CE1-CG 4.23Å; Y207-R215 VanDerWaalsContact CE2-NH2 3.34Å; Y207-R215 HydrophobicContact CG-CG 4.06Å; Y207-R215 VanDerWaalsContact CG-NE 3.32Å; Y207-T216 CarbonylContact C-O 3.54Å; Y207-T216 WeakPolarHBondContact CA-O 3.49Å; Y207-R217 HydrophobicContact CD1-CB 4.08Å; Y207-R217 HydrophobicContact CE1-CB 3.57Å; Y207-R217 HydrophobicContact CE1-CG 4.15Å; Y207-I240 CarbonylContact O-C 3.54Å; Y207-I240 VanDerWaalsContact O-CA 3.3Å; Y207-I240 WeakPolarHBondContact O-CA 3.38Å; Y207-F241 PolarHBondContact N-O 2.84Å; Y207-F241 PolarHBondContact O-N 2.61Å; Y207-T243 HydrophobicContact CD2-CG2 4.24Å; Y207-T243 WeakPolarHBondContact CD2-OG1 3.46Å; Y207-T243 WeakPolarHBondContact CE2-OG1 3.49Å; Y207-G248 VanDerWaalsContact OH-CA 3.25Å; Y207-G248 WeakPolarHBondContact OH-CA 3.39Å; Y207-G248 PolarHBondContact OH-O 3.32Å; Y207-E250 HydrophobicContact CE1-CG 4.11Å
208M95.1Very high91.7Very high1 Ų151.5 Ų51.51%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-86.3121.7162.4-169.866.275.700108.3R215 T216 L218 A227 Y231 S238 I240M208-R215 WeakPolarHBondContact O-CA 3.11Å; M208-T216 PolarHBondContact N-O 3.3Å; M208-T216 PolarHBondContact O-N 2.83Å; M208-L218 HydrophobicContact CB-CD2 4.38Å; M208-A227 HydrophobicContact CE-CB 4.13Å; M208-Y231 HydrophobicContact CE-CD2 3.76Å; M208-Y231 HydrophobicContact CE-CE2 4.3Å; M208-Y231 HydrophobicContact CE-CG 4.14Å; M208-Y231 HydrophobicContact CG-CD1 3.84Å; M208-Y231 HydrophobicContact CG-CD2 3.92Å; M208-Y231 HydrophobicContact CG-CE1 3.84Å; M208-Y231 HydrophobicContact CG-CE2 3.93Å; M208-Y231 HydrophobicContact CG-CG 3.87Å; M208-Y231 HydrophobicContact SD-CD2 4.32Å; M208-Y231 HydrophobicContact SD-CG 4.18Å; M208-S238 PolarHBondContact SD-OG 3.3Å; M208-I240 HydrophobicContact CE-CD1 3.84Å; M208-I240 HydrophobicContact CE-CG1 3.52Å; M208-I240 HydrophobicContact SD-CG1 3.63Å
209V94.4Very high92Very high39 Ų3951 Ų5124%0.23626%0.257CS..EExtended strand (participates in β ladder)trans-116.5123.8179.3-177.80000109E214 R215 S238 K239 F241V209-E214 WeakPolarHBondContact CA-O 3.3Å; V209-R215 HydrophobicContact CG2-CG 4.11Å; V209-S238 CarbonylContact O-C 3.59Å; V209-S238 WeakPolarHBondContact O-CA 3.39Å; V209-K239 PolarHBondContact N-O 3.02Å; V209-K239 PolarHBondContact O-N 2.96Å; V209-F241 HydrophobicContact CB-CD2 3.94Å; V209-F241 HydrophobicContact CB-CE2 4.11Å; V209-F241 HydrophobicContact CG2-CD2 3.64Å; V209-F241 HydrophobicContact CG2-CE2 4.21Å; V209-F241 HydrophobicContact CG2-CG 4.44Å
210H93.8Very high92.2Very high52 Ų5253.8 Ų53.824%0.24127%0.272CS..EExtended strand (participates in β ladder)trans-99.8155.1177.2-169.5-100.8000111.3S212 G213 E214 I237H210-S212 VanDerWaalsContact ND1-CB 3.35Å; H210-S212 WeakPolarHBondContact ND1-CB 3.3Å; H210-S212 PolarHBondContact ND1-N 3.48Å; H210-S212 VanDerWaalsContact ND1-N 3.15Å; H210-S212 PolarHBondContact ND1-OG 3.21Å; H210-S212 PolarHBondContact O-N 3.31Å; H210-G213 PolarHBondContact O-N 3.07Å; H210-E214 HydrophobicContact CB-CB 4.14Å; H210-E214 PolarHBondContact N-O 2.94Å; H210-I237 CarbonylContact C-O 3.42Å; H210-I237 VanDerWaalsContact CA-O 3.29Å; H210-I237 WeakPolarHBondContact CA-O 3.39Å; H210-I237 PolarHBondContact CD2-O 2.87Å; H210-I237 WeakPolarHBondContact NE2-CG2 3.07Å
211E91.9Very high92.4Very high116 Ų11650.5 Ų50.554%0.54226%0.255SS..THydrogen-bonded Turntrans-64-18.9178.765.6173-173.800113.9G213 I237E211-G213 PolarHBondContact O-N 2.71Å; E211-I237 HydrophobicContact CG-CG2 4.25Å; E211-I237 PolarHBondContact N-O 2.89Å
212S89Confident92.7Very high26 Ų2650 Ų5018%0.18225%0.248CC..THydrogen-bonded Turntrans-63.9-23170.558.10000112H210 E214H210-S212 VanDerWaalsContact ND1-CB 3.35Å; H210-S212 WeakPolarHBondContact ND1-CB 3.3Å; H210-S212 PolarHBondContact ND1-N 3.48Å; H210-S212 VanDerWaalsContact ND1-N 3.15Å; H210-S212 PolarHBondContact ND1-OG 3.21Å; H210-S212 PolarHBondContact O-N 3.31Å; S212-E214 WeakPolarHBondContact OG-CB 3.46Å; S212-E214 PolarHBondContact OG-N 2.7Å
213G86.9Confident93Very high24 Ų2443 Ų4325%0.24722%0.215CC..SBendtrans101.2-4.3-168.800000113.1H210 E211 R215 A256H210-G213 PolarHBondContact O-N 3.07Å; E211-G213 PolarHBondContact O-N 2.71Å; G213-R215 PolarHBondContact O-N 3.12Å; G213-A256 VanDerWaalsContact C-CB 3.43Å
214E91.3Very high93.2Very high45 Ų4539.6 Ų39.621%0.2120%0.197CC..  trans-63.1134.1174.3-177.9179.6-173.200109.9V209 H210 S212 V251 A256V209-E214 WeakPolarHBondContact CA-O 3.3Å; H210-E214 HydrophobicContact CB-CB 4.14Å; H210-E214 PolarHBondContact N-O 2.94Å; S212-E214 WeakPolarHBondContact OG-CB 3.46Å; S212-E214 PolarHBondContact OG-N 2.7Å; E214-V251 WeakPolarHBondContact CG-O 3.45Å; E214-A256 HydrophobicContact CB-CB 4.3Å; E214-A256 VanDerWaalsContact N-CB 3.33Å
215R92.6Very high93.3Very high49 Ų4939.1 Ų39.119%0.18520%0.195CC..EExtended strand (participates in β ladder)trans-134.7106.6-179.3178.2170.5174-1691.9109.1Y207 M208 V209 G213 T243 E249 E250 V251Y207-R215 HydrophobicContact CD1-CG 3.5Å; Y207-R215 VanDerWaalsContact CD1-NE 3.32Å; Y207-R215 VanDerWaalsContact CD2-NH2 3.26Å; Y207-R215 HydrophobicContact CE1-CG 4.23Å; Y207-R215 VanDerWaalsContact CE2-NH2 3.34Å; Y207-R215 HydrophobicContact CG-CG 4.06Å; Y207-R215 VanDerWaalsContact CG-NE 3.32Å; M208-R215 WeakPolarHBondContact O-CA 3.11Å; V209-R215 HydrophobicContact CG2-CG 4.11Å; G213-R215 PolarHBondContact O-N 3.12Å; R215-T243 PolarHBondContact NH2-OG1 2.9Å; R215-E249 VanDerWaalsContact CD-O 3.26Å; R215-E249 WeakPolarHBondContact CD-O 3.03Å; R215-E249 PolarHBondContact NE-O 3.34Å; R215-E250 WeakPolarHBondContact O-CA 3.48Å; R215-V251 HydrophobicContact CB-CB 4.04Å; R215-V251 HydrophobicContact CB-CG2 4.27Å; R215-V251 PolarHBondContact N-O 3.05Å; R215-V251 PolarHBondContact O-N 3.21Å
216T93.4Very high93.3Very high40 Ų4038.8 Ų38.825%0.24519%0.193CC..EExtended strand (participates in β ladder)trans-107.2128.7-178.5-42.10000109.5Y207 M208 L218Y207-T216 CarbonylContact C-O 3.54Å; Y207-T216 WeakPolarHBondContact CA-O 3.49Å; M208-T216 PolarHBondContact N-O 3.3Å; M208-T216 PolarHBondContact O-N 2.83Å; T216-L218 PolarHBondContact O-N 3.39Å
217R94.4Very high93.3Very high96 Ų9638.9 Ų38.936%0.36219%0.194SC..EExtended strand (participates in β ladder)trans-70.1129.2172.3-177.8171179177.42.6109.7V205 Y207 K219 E250V205-R217 HydrophobicContact CG1-CG 3.58Å; Y207-R217 HydrophobicContact CD1-CB 4.08Å; Y207-R217 HydrophobicContact CE1-CB 3.57Å; Y207-R217 HydrophobicContact CE1-CG 4.15Å; R217-K219 PolarHBondContact O-N 2.84Å; R217-E250 HydrophobicContact CB-CG 3.86Å; R217-E250 WeakPolarHBondContact CB-OE1 3.22Å; R217-E250 WeakPolarHBondContact CD-OE1 3.23Å
218L93.9Very high93.3Very high4 Ų438.8 Ų38.82%0.02119%0.194CC..PPolyproline II helixtrans-80119167.5-62.3-179.8000108.6T184 L206 M208 T216 E222 P224 A227 I240T184-L218 HydrophobicContact CG2-CB 3.98Å; L206-L218 HydrophobicContact CB-CB 4.25Å; L206-L218 HydrophobicContact CB-CD1 4.09Å; L206-L218 WeakPolarHBondContact O-CB 3.18Å; L206-L218 PolarHBondContact O-N 2.85Å; M208-L218 HydrophobicContact CB-CD2 4.38Å; T216-L218 PolarHBondContact O-N 3.39Å; L218-E222 VanDerWaalsContact CA-OE2 3.3Å; L218-E222 WeakPolarHBondContact CA-OE2 3.25Å; L218-E222 WeakPolarHBondContact CD2-OE2 3.25Å; L218-P224 HydrophobicContact CD1-CB 4.22Å; L218-P224 HydrophobicContact CD1-CG 4.41Å; L218-A227 HydrophobicContact CD2-CB 4.14Å; L218-I240 HydrophobicContact CD1-CG2 4.35Å
219K92.3Very high93.3Very high116 Ų11639 Ų3950%0.50420%0.195SC..PPolyproline II helixtrans-72.9163.2179.7-60.4-177.9-179.9-178.50111.1T184 R217 D221 E222T184-K219 WeakPolarHBondContact CB-O 3.29Å; T184-K219 PolarHBondContact OG1-O 3.03Å; R217-K219 PolarHBondContact O-N 2.84Å; K219-D221 WeakPolarHBondContact CB-OD1 3.49Å; K219-D221 PolarHBondContact O-N 3.35Å; K219-E222 HydrophobicContact CB-CG 4.07Å; K219-E222 PolarHBondContact N-OE2 2.84Å; K219-E222 VanDerWaalsContact N-OE2 3.15Å; K219-E222 WeakPolarHBondContact O-CB 3.44Å; K219-E222 PolarHBondContact O-N 2.76Å; K219-E222 VanDerWaalsContact O-N 3.16Å
220N90.6Very high93.2Very high116 Ų11640.4 Ų40.462%0.6220%0.201SC*.THydrogen-bonded Turntrans-65.4-27.3-177.8-71.5-16.1000113.3T183T183-N220 WeakPolarHBondContact CB-O 3.38Å
221D91.6Very high93.2Very high41 Ų4141.9 Ų41.922%0.21921%0.205CC..THydrogen-bonded Turntrans-86.2-9.5178.164.5-57000113.5S11 E12 K219S11-D221 WeakPolarHBondContact CB-OD2 3.39Å; E12-D221 HydrophobicContact CB-CB 4.45Å; E12-D221 HydrophobicContact CG-CB 3.98Å; E12-D221 PolarHBondContact N-OD2 2.86Å; K219-D221 WeakPolarHBondContact CB-OD1 3.49Å; K219-D221 PolarHBondContact O-N 3.35Å
222E94.4Very high93.4Very high27 Ų2737 Ų3713%0.12619%0.186CC..SBendtrans-80.2159.5179.2-73.4177.3177.800112.5L10 T183 T184 L218 K219 P224L10-E222 VanDerWaalsContact O-CA 3.29Å; L10-E222 WeakPolarHBondContact O-CA 3.4Å; T183-E222 CarbonylContact C-O 3.59Å; T183-E222 WeakPolarHBondContact CA-O 3.4Å; T184-E222 PolarHBondContact N-O 3.13Å; T184-E222 PolarHBondContact OG1-O 3.28Å; T184-E222 VanDerWaalsContact OG1-O 3.07Å; L218-E222 VanDerWaalsContact CA-OE2 3.3Å; L218-E222 WeakPolarHBondContact CA-OE2 3.25Å; L218-E222 WeakPolarHBondContact CD2-OE2 3.25Å; K219-E222 HydrophobicContact CB-CG 4.07Å; K219-E222 PolarHBondContact N-OE2 2.84Å; K219-E222 VanDerWaalsContact N-OE2 3.15Å; K219-E222 WeakPolarHBondContact O-CB 3.44Å; K219-E222 PolarHBondContact O-N 2.76Å; K219-E222 VanDerWaalsContact O-N 3.16Å; E222-P224 WeakPolarHBondContact O-CD 3.31Å
223H95.3Very high93.7Very high17 Ų1736.8 Ų36.88%0.07918%0.184CC..  trans-109.7101.7-179.8-63-69.9000111.2K9 L10 S180 S181 M182 L225 V226 A227K9-H223 PolarHBondContact O-CD2 2.85Å; L10-H223 PolarHBondContact O-N 2.83Å; S180-H223 PolarHBondContact O-ND1 3.36Å; S181-H223 PolarHBondContact O-CE1 2.89Å; S181-H223 VanDerWaalsContact O-CE1 3.3Å; S181-H223 PolarHBondContact O-ND1 2.93Å; M182-H223 PolarHBondContact O-ND1 2.93Å; H223-L225 VanDerWaalsContact C-N 3.3Å; H223-L225 PolarHBondContact O-N 2.97Å; H223-V226 HydrophobicContact CB-CB 4.07Å; H223-V226 HydrophobicContact CB-CG2 3.8Å; H223-V226 PolarHBondContact O-N 3.47Å; H223-A227 PolarHBondContact O-N 3.28Å
224P96.2Very high94Very high0 Ų036.7 Ų36.70%018%0.179CC..Hα-helixtrans-59.5-33.6-171.5-27.934.9000115L54 T184 V187 L206 L218 E222 R228L54-P224 HydrophobicContact CD2-CB 3.82Å; T184-P224 HydrophobicContact CG2-CG 4.45Å; V187-P224 HydrophobicContact CB-CG 4.16Å; V187-P224 HydrophobicContact CG1-CG 4.46Å; V187-P224 HydrophobicContact CG2-CB 4.48Å; V187-P224 HydrophobicContact CG2-CG 4Å; L206-P224 HydrophobicContact CD1-CG 4.36Å; L218-P224 HydrophobicContact CD1-CB 4.22Å; L218-P224 HydrophobicContact CD1-CG 4.41Å; E222-P224 WeakPolarHBondContact O-CD 3.31Å; P224-R228 WeakPolarHBondContact O-CB 3.37Å; P224-R228 PolarHBondContact O-N 2.9Å
225L96.1Very high94.1Very high1 Ų136 Ų361%0.00518%0.176CC..Hα-helixtrans-67.6-39.8177.1-174.763.4000111.4L39 L50 L54 V178 H223 R228 V229L39-L225 HydrophobicContact CD1-CD1 4.09Å; L39-L225 HydrophobicContact CD2-CD1 3.88Å; L50-L225 HydrophobicContact CB-CD2 4.11Å; L54-L225 HydrophobicContact CD1-CD1 4.44Å; V178-L225 HydrophobicContact CG2-CB 3.99Å; V178-L225 HydrophobicContact CG2-CD1 3.98Å; V178-L225 HydrophobicContact CG2-CD2 4.23Å; V178-L225 HydrophobicContact CG2-CG 4.28Å; H223-L225 VanDerWaalsContact C-N 3.3Å; H223-L225 PolarHBondContact O-N 2.97Å; L225-R228 WeakPolarHBondContact O-CB 3.44Å; L225-R228 PolarHBondContact O-N 3.02Å; L225-V229 WeakPolarHBondContact O-CG2 3.33Å; L225-V229 PolarHBondContact O-N 3.41Å; L225-V229 VanDerWaalsContact O-N 3.13Å
226V94.6Very high94.2Very high0 Ų042 Ų420%020%0.203CC..Hα-helixtrans-69.3-43.9177.9-174.10000109.7V8 L10 I16 I21 H223 R228 V229 L230V8-V226 HydrophobicContact CG1-CG1 4.35Å; V8-V226 HydrophobicContact CG1-CG2 4Å; L10-V226 HydrophobicContact CD1-CB 4.18Å; L10-V226 HydrophobicContact CD1-CG1 3.9Å; I16-V226 HydrophobicContact CD1-CG1 3.96Å; I21-V226 HydrophobicContact CD1-CG1 4.17Å; H223-V226 HydrophobicContact CB-CB 4.07Å; H223-V226 HydrophobicContact CB-CG2 3.8Å; H223-V226 PolarHBondContact O-N 3.47Å; V226-R228 VanDerWaalsContact C-N 3.3Å; V226-R228 PolarHBondContact O-N 3.17Å; V226-V229 PolarHBondContact O-N 3.13Å; V226-V229 VanDerWaalsContact O-N 3.13Å; V226-L230 PolarHBondContact O-N 3.41Å; V226-L230 VanDerWaalsContact O-N 3.13Å
227A94.9Very high94.2Very high4 Ų443.1 Ų43.13%0.03321%0.207CC..Hα-helixtrans-54.6-47.4171.900000110.9L10 M208 L218 H223 V229 L230 Y231L10-A227 HydrophobicContact CD1-CB 4.4Å; M208-A227 HydrophobicContact CE-CB 4.13Å; L218-A227 HydrophobicContact CD2-CB 4.14Å; H223-A227 PolarHBondContact O-N 3.28Å; A227-V229 VanDerWaalsContact C-N 3.3Å; A227-V229 PolarHBondContact O-N 3.26Å; A227-L230 WeakPolarHBondContact O-CB 3.02Å; A227-L230 PolarHBondContact O-N 2.83Å; A227-Y231 VanDerWaalsContact O-CD2 3.3Å; A227-Y231 WeakPolarHBondContact O-CD2 3.45Å; A227-Y231 PolarHBondContact O-N 3Å
228R95.9Very high94.2Very high1 Ų138.6 Ų38.60%0.00419%0.19CC..Hα-helixtrans-56.8-41.3176.9176.356.569.7159.818.8113.1Y28 L54 P224 L225 V226 L230 G232 E235 S238 I240Y28-R228 HydrophobicContact CE2-CG 4Å; L54-R228 HydrophobicContact CD1-CB 3.68Å; L54-R228 HydrophobicContact CD1-CG 3.71Å; P224-R228 WeakPolarHBondContact O-CB 3.37Å; P224-R228 PolarHBondContact O-N 2.9Å; L225-R228 WeakPolarHBondContact O-CB 3.44Å; L225-R228 PolarHBondContact O-N 3.02Å; V226-R228 VanDerWaalsContact C-N 3.3Å; V226-R228 PolarHBondContact O-N 3.17Å; R228-L230 VanDerWaalsContact C-N 3.29Å; R228-L230 PolarHBondContact O-N 3.18Å; R228-G232 WeakPolarHBondContact CD-O 3.49Å; R228-G232 CarbonylContact O-C 3.57Å; R228-G232 PolarHBondContact O-N 3.32Å; R228-E235 IonicContact CZ-OE1 2.94Å; R228-E235 IonicContact CZ-OE2 3.92Å; R228-E235 VanDerWaalsContact CZ-OE2 3.31Å; R228-E235 IonicContact NH1-OE1 3.11Å; R228-E235 IonicContact NH1-OE2 3.51Å; R228-E235 PolarHBondContact NH1-OE2 3.5Å; R228-E235 VanDerWaalsContact NH1-OE2 3.07Å; R228-E235 IonicContact NH2-OE1 2.76Å; R228-E235 IonicContact NH2-OE2 3.8Å; R228-E235 PolarHBondContact NH2-OE2 2.86Å; R228-S238 PolarHBondContact NH1-O 2.83Å; R228-I240 HydrophobicContact CB-CD1 4.3Å
229V95.1Very high94.3Very high4 Ų441.8 Ų41.82%0.02420%0.204CC..Hα-helixtrans-64.8-34.7177.4173.10000111.7L24 Y28 L39 L50 L225 V226 A227L24-V229 HydrophobicContact CB-CG1 3.67Å; Y28-V229 HydrophobicContact CD2-CG2 4.27Å; L39-V229 HydrophobicContact CD1-CG2 3.39Å; L50-V229 HydrophobicContact CD1-CG2 4.44Å; L225-V229 WeakPolarHBondContact O-CG2 3.33Å; L225-V229 PolarHBondContact O-N 3.41Å; L225-V229 VanDerWaalsContact O-N 3.13Å; V226-V229 PolarHBondContact O-N 3.13Å; V226-V229 VanDerWaalsContact O-N 3.13Å; A227-V229 VanDerWaalsContact C-N 3.3Å; A227-V229 PolarHBondContact O-N 3.26Å
230L93.9Very high94.6Very high69 Ų6936.3 Ų36.336%0.36118%0.18SC..Hα-helixtrans-71.4-45.5177.5-68165.2000113.4L10 I16 L24 V226 A227 R228 G232L10-L230 HydrophobicContact CD1-CD1 3.5Å; L10-L230 HydrophobicContact CD2-CD1 3.67Å; L10-L230 HydrophobicContact CG-CD1 4.19Å; I16-L230 HydrophobicContact CD1-CD1 3.7Å; I16-L230 HydrophobicContact CD1-CD2 3.94Å; I16-L230 HydrophobicContact CD1-CG 4.19Å; L24-L230 HydrophobicContact CD1-CD2 3.63Å; V226-L230 PolarHBondContact O-N 3.41Å; V226-L230 VanDerWaalsContact O-N 3.13Å; A227-L230 WeakPolarHBondContact O-CB 3.02Å; A227-L230 PolarHBondContact O-N 2.83Å; R228-L230 VanDerWaalsContact C-N 3.29Å; R228-L230 PolarHBondContact O-N 3.18Å; L230-G232 PolarHBondContact O-N 2.89Å
231Y93.5Very high94.8Very high83 Ų8331.8 Ų31.833%0.32516%0.155SC..Hα-helixtrans-74.9-14.5177.6-76.7-92.8000112.6M208 A227M208-Y231 HydrophobicContact CE-CD2 3.76Å; M208-Y231 HydrophobicContact CE-CE2 4.3Å; M208-Y231 HydrophobicContact CE-CG 4.14Å; M208-Y231 HydrophobicContact CG-CD1 3.84Å; M208-Y231 HydrophobicContact CG-CD2 3.92Å; M208-Y231 HydrophobicContact CG-CE1 3.84Å; M208-Y231 HydrophobicContact CG-CE2 3.93Å; M208-Y231 HydrophobicContact CG-CG 3.87Å; M208-Y231 HydrophobicContact SD-CD2 4.32Å; M208-Y231 HydrophobicContact SD-CG 4.18Å; A227-Y231 VanDerWaalsContact O-CD2 3.3Å; A227-Y231 WeakPolarHBondContact O-CD2 3.45Å; A227-Y231 PolarHBondContact O-N 3Å
232G94.7Very high95Very high15 Ų1529.8 Ų29.816%0.15515%0.145CC..  trans97.1170.7173.300000114.9R228 L230R228-G232 WeakPolarHBondContact CD-O 3.49Å; R228-G232 CarbonylContact O-C 3.57Å; R228-G232 PolarHBondContact O-N 3.32Å; L230-G232 PolarHBondContact O-N 2.89Å
233P95Very high95Very high20 Ų2029 Ų2913%0.1314%0.142CC..SBendtrans-82.9-11.1-171.333.1-38.1000115Y28 Y31 H32 E235Y28-P233 HydrophobicContact CD1-CB 4.4Å; Y28-P233 HydrophobicContact CD2-CB 3.54Å; Y28-P233 HydrophobicContact CD2-CG 4.19Å; Y28-P233 HydrophobicContact CE1-CB 4.41Å; Y28-P233 VanDerWaalsContact CE2-CA 3.45Å; Y28-P233 HydrophobicContact CE2-CB 3.57Å; Y28-P233 HydrophobicContact CG-CB 3.96Å; Y31-P233 VanDerWaalsContact CB-CG 3.47Å; Y31-P233 HydrophobicContact CD1-CB 3.49Å; Y31-P233 VanDerWaalsContact CD1-CB 3.49Å; Y31-P233 HydrophobicContact CD1-CG 3.71Å; Y31-P233 HydrophobicContact CD2-CG 4.18Å; Y31-P233 HydrophobicContact CE1-CB 4.16Å; Y31-P233 HydrophobicContact CE1-CG 4.47Å; Y31-P233 WeakPolarHBondContact CE1-O 3.41Å; Y31-P233 HydrophobicContact CG-CB 3.85Å; Y31-P233 HydrophobicContact CG-CG 3.52Å; H32-P233 VanDerWaalsContact NE2-CB 3.34Å; H32-P233 WeakPolarHBondContact NE2-CB 3.23Å; P233-E235 PolarHBondContact O-N 2.86Å
234C94.4Very high94.9Very high23 Ų2328.8 Ų28.816%0.15514%0.141CC..  trans-83.8104.8-172-172.80000111.9Y31 K236 I237 S238Y31-C234 HydrophobicContact CE2-CB 4.28Å; C234-K236 PolarHBondContact O-N 2.96Å; C234-I237 HydrophobicContact CB-CB 4.24Å; C234-I237 HydrophobicContact CB-CD1 3.92Å; C234-I237 HydrophobicContact CB-CG1 4.11Å; C234-I237 PolarHBondContact O-N 2.85Å; C234-S238 PolarHBondContact O-N 3.15Å
235E94.1Very high94.6Very high30 Ų3030.6 Ų30.614%0.1416%0.156CC..THydrogen-bonded Turntrans-64.4-9.3175.9-59.1-68.4-175.500114.1N55 Y57 R228 P233 S238 K239N55-E235 VanDerWaalsContact CB-OE1 3.29Å; N55-E235 WeakPolarHBondContact CB-OE1 3.38Å; N55-E235 PolarHBondContact ND2-OE1 3.49Å; Y57-E235 WeakPolarHBondContact CE2-OE2 3.33Å; R228-E235 IonicContact CZ-OE1 2.94Å; R228-E235 IonicContact CZ-OE2 3.92Å; R228-E235 VanDerWaalsContact CZ-OE2 3.31Å; R228-E235 IonicContact NH1-OE1 3.11Å; R228-E235 IonicContact NH1-OE2 3.51Å; R228-E235 PolarHBondContact NH1-OE2 3.5Å; R228-E235 VanDerWaalsContact NH1-OE2 3.07Å; R228-E235 IonicContact NH2-OE1 2.76Å; R228-E235 IonicContact NH2-OE2 3.8Å; R228-E235 PolarHBondContact NH2-OE2 2.86Å; P233-E235 PolarHBondContact O-N 2.86Å; E235-S238 WeakPolarHBondContact CA-O 3.06Å; E235-K239 WeakPolarHBondContact O-CE 3.42Å; E235-K239 WeakPolarHBondContact O-CG 3.32Å
236K93.1Very high94.2Very high175 Ų17535.6 Ų35.676%0.76118%0.182SC*.THydrogen-bonded Turntrans-76.9-33.8171-62.7-177.1179179.60111.7C234C234-K236 PolarHBondContact O-N 2.96Å
237I93.6Very high93.6Very high64 Ų6439 Ų3933%0.32820%0.2SC..THydrogen-bonded Turntrans-90.1-44.5-173.6-64174.9000110.5H210 E211 C234H210-I237 CarbonylContact C-O 3.42Å; H210-I237 VanDerWaalsContact CA-O 3.29Å; H210-I237 WeakPolarHBondContact CA-O 3.39Å; H210-I237 PolarHBondContact CD2-O 2.87Å; H210-I237 WeakPolarHBondContact NE2-CG2 3.07Å; E211-I237 HydrophobicContact CG-CG2 4.25Å; E211-I237 PolarHBondContact N-O 2.89Å; C234-I237 HydrophobicContact CB-CB 4.24Å; C234-I237 HydrophobicContact CB-CD1 3.92Å; C234-I237 HydrophobicContact CB-CG1 4.11Å; C234-I237 PolarHBondContact O-N 2.85Å
238S95.4Very high92.5Very high1 Ų139.8 Ų39.81%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-137.6136.6-175.8-179.50000110.9M208 V209 R228 C234 E235M208-S238 PolarHBondContact SD-OG 3.3Å; V209-S238 CarbonylContact O-C 3.59Å; V209-S238 WeakPolarHBondContact O-CA 3.39Å; R228-S238 PolarHBondContact NH1-O 2.83Å; C234-S238 PolarHBondContact O-N 3.15Å; E235-S238 WeakPolarHBondContact CA-O 3.06Å
239K96.2Very high91.8Very high71 Ų7146.7 Ų46.731%0.30924%0.241SC..EExtended strand (participates in β ladder)trans-138.6142.5-178.4-66.1178.1-171.6170.40110.4Y57 V209 E235 F241Y57-K239 HydrophobicContact CD1-CD 4.47Å; Y57-K239 HydrophobicContact CD2-CB 3.88Å; Y57-K239 HydrophobicContact CD2-CD 4.31Å; Y57-K239 HydrophobicContact CD2-CG 4.16Å; Y57-K239 HydrophobicContact CE1-CD 4.3Å; Y57-K239 HydrophobicContact CE2-CB 4Å; Y57-K239 HydrophobicContact CE2-CD 4.13Å; Y57-K239 HydrophobicContact CE2-CG 3.83Å; Y57-K239 HydrophobicContact CG-CD 4.48Å; V209-K239 PolarHBondContact N-O 3.02Å; V209-K239 PolarHBondContact O-N 2.96Å; E235-K239 WeakPolarHBondContact O-CE 3.42Å; E235-K239 WeakPolarHBondContact O-CG 3.32Å; K239-F241 HydrophobicContact CB-CD2 3.97Å; K239-F241 HydrophobicContact CB-CE2 3.51Å; K239-F241 HydrophobicContact CB-CZ 4.38Å; K239-F241 HydrophobicContact CD-CE2 3.83Å; K239-F241 HydrophobicContact CD-CZ 3.98Å; K239-F241 HydrophobicContact CG-CE2 4.33Å
240I97.1Very high91.3Very high0 Ų052.1 Ų52.10%027%0.266CS..EExtended strand (participates in β ladder)trans-95.1123.1170.7-61.4171000108.7L54 I56 Y57 L206 Y207 M208 L218 R228L54-I240 HydrophobicContact CD1-CD1 3.76Å; L54-I240 HydrophobicContact CD2-CD1 4.05Å; L54-I240 HydrophobicContact CG-CD1 4.17Å; I56-I240 WeakPolarHBondContact CA-O 3.33Å; I56-I240 HydrophobicContact CG1-CG2 4.46Å; Y57-I240 WeakPolarHBondContact CD2-O 3.29Å; Y57-I240 PolarHBondContact N-O 3.36Å; L206-I240 HydrophobicContact CB-CG2 4.34Å; L206-I240 HydrophobicContact CD2-CG2 4.45Å; Y207-I240 CarbonylContact O-C 3.54Å; Y207-I240 VanDerWaalsContact O-CA 3.3Å; Y207-I240 WeakPolarHBondContact O-CA 3.38Å; M208-I240 HydrophobicContact CE-CD1 3.84Å; M208-I240 HydrophobicContact CE-CG1 3.52Å; M208-I240 HydrophobicContact SD-CG1 3.63Å; L218-I240 HydrophobicContact CD1-CG2 4.35Å; R228-I240 HydrophobicContact CB-CD1 4.3Å
241F96.3Very high91Very high21 Ų2149.7 Ų49.79%0.09225%0.254CS..EExtended strand (participates in β ladder)trans-110.8141.5176.9-77.6-94.4000111.6Y57 L206 Y207 V209 K239 T243Y57-F241 VanDerWaalsContact CB-CD1 3.44Å; Y57-F241 VanDerWaalsContact CB-CE1 3.43Å; Y57-F241 HydrophobicContact CG-CE1 4.26Å; Y57-F241 HydrophobicContact CG-CZ 4.28Å; Y57-F241 CarbonylContact O-C 3.44Å; Y57-F241 VanDerWaalsContact O-CA 3.24Å; Y57-F241 WeakPolarHBondContact O-CA 3.41Å; L206-F241 CarbonylContact C-O 3.5Å; L206-F241 VanDerWaalsContact CA-O 3.3Å; L206-F241 WeakPolarHBondContact CA-O 3.29Å; Y207-F241 PolarHBondContact N-O 2.84Å; Y207-F241 PolarHBondContact O-N 2.61Å; V209-F241 HydrophobicContact CB-CD2 3.94Å; V209-F241 HydrophobicContact CB-CE2 4.11Å; V209-F241 HydrophobicContact CG2-CD2 3.64Å; V209-F241 HydrophobicContact CG2-CE2 4.21Å; V209-F241 HydrophobicContact CG2-CG 4.44Å; K239-F241 HydrophobicContact CB-CD2 3.97Å; K239-F241 HydrophobicContact CB-CE2 3.51Å; K239-F241 HydrophobicContact CB-CZ 4.38Å; K239-F241 HydrophobicContact CD-CE2 3.83Å; K239-F241 HydrophobicContact CD-CZ 3.98Å; K239-F241 HydrophobicContact CG-CE2 4.33Å; F241-T243 HydrophobicContact CB-CG2 4.16Å
242I95.1Very high90.7Very high0 Ų049.5 Ų49.50%026%0.262CS..EExtended strand (participates in β ladder)trans-90.2125.2159.9-176.8176.3000108.9I56 Y57 W58 G59 L188 L191 L192 F204 L206I56-I242 HydrophobicContact CG2-CB 4.13Å; I56-I242 HydrophobicContact CG2-CG2 4.14Å; Y57-I242 PolarHBondContact O-N 3.47Å; W58-I242 HydrophobicContact CD2-CG2 4.04Å; W58-I242 HydrophobicContact CE3-CG2 3.43Å; W58-I242 VanDerWaalsContact CE3-CG2 3.43Å; W58-I242 HydrophobicContact CZ3-CD1 4.13Å; W58-I242 HydrophobicContact CZ3-CG2 3.84Å; G59-I242 CarbonylContact C-O 3.52Å; G59-I242 VanDerWaalsContact CA-O 3.23Å; G59-I242 WeakPolarHBondContact CA-O 3.41Å; G59-I242 PolarHBondContact N-O 3.34Å; L188-I242 HydrophobicContact CD1-CD1 3.46Å; L188-I242 VanDerWaalsContact CD1-CD1 3.46Å; L188-I242 HydrophobicContact CD1-CG1 3.96Å; L191-I242 HydrophobicContact CD2-CB 4.35Å; L191-I242 HydrophobicContact CD2-CD1 4.04Å; L191-I242 HydrophobicContact CD2-CG2 4.12Å; L192-I242 HydrophobicContact CD2-CD1 3.99Å; F204-I242 HydrophobicContact CB-CD1 3.98Å; F204-I242 HydrophobicContact CB-CG1 4.03Å; F204-I242 HydrophobicContact CD1-CD1 4.16Å; F204-I242 HydrophobicContact CD1-CG1 4.32Å; F204-I242 HydrophobicContact CG-CD1 4.09Å; F204-I242 HydrophobicContact CG-CG1 4.44Å; L206-I242 HydrophobicContact CD2-CB 3.83Å; L206-I242 HydrophobicContact CD2-CG1 4.29Å
243T94.2Very high90.3Very high11 Ų1155 Ų557%0.06728%0.279CS..EExtended strand (participates in β ladder)trans-133.2166.217771.90000110.7F204 V205 Y207 R215 F241F204-T243 WeakPolarHBondContact CA-O 3.23Å; V205-T243 PolarHBondContact N-O 2.93Å; V205-T243 PolarHBondContact O-N 3.38Å; Y207-T243 HydrophobicContact CD2-CG2 4.24Å; Y207-T243 WeakPolarHBondContact CD2-OG1 3.46Å; Y207-T243 WeakPolarHBondContact CE2-OG1 3.49Å; R215-T243 PolarHBondContact NH2-OG1 2.9Å; F241-T243 HydrophobicContact CB-CG2 4.16Å
244E92.4Very high89.8Confident12 Ų1259.3 Ų59.36%0.05630%0.3CS..EExtended strand (participates in β ladder)trans-64.4144.1170.7-55.790.6157.100111.1L60 R61 R62 D203 D246 L247 G248L60-E244 HydrophobicContact CD2-CG 4.08Å; R61-E244 WeakPolarHBondContact CA-OE1 3.35Å; R61-E244 PolarHBondContact N-OE1 3.21Å; R61-E244 PolarHBondContact N-OE2 3.34Å; R62-E244 PolarHBondContact N-OE1 2.74Å; D203-E244 CarbonylContact O-C 3.41Å; D203-E244 WeakPolarHBondContact O-CA 3.34Å; E244-D246 VanDerWaalsContact C-N 3.32Å; E244-D246 WeakPolarHBondContact CB-OD1 3.42Å; E244-D246 PolarHBondContact O-N 3.16Å; E244-L247 HydrophobicContact CB-CB 4.39Å; E244-G248 PolarHBondContact O-N 3.5Å
245A90.8Very high89.4Confident38 Ų3861.8 Ų61.831%0.31432%0.315SS..SBendtrans-66.4-32.6-178.200000113E202 D203 V205E202-A245 WeakPolarHBondContact O-CB 3.19Å; D203-A245 PolarHBondContact O-N 3.42Å; V205-A245 HydrophobicContact CG2-CB 3.71Å
246D87.7Confident89.1Confident105 Ų10560.4 Ų60.456%0.56131%0.308SS*.SBendtrans-80.9-22.3-177.368.2-39.5000113.6R62 E244R62-D246 IonicContact CZ-OD1 3.9Å; R62-D246 IonicContact CZ-OD2 3.19Å; R62-D246 IonicContact NH1-OD1 3.01Å; R62-D246 PolarHBondContact NH1-OD1 2.71Å; R62-D246 IonicContact NH1-OD2 2.72Å; R62-D246 PolarHBondContact NH1-OD2 2.87Å; R62-D246 IonicContact NH2-OD1 3.98Å; R62-D246 IonicContact NH2-OD2 2.72Å; R62-D246 PolarHBondContact NH2-OD2 3.04Å; E244-D246 VanDerWaalsContact C-N 3.32Å; E244-D246 WeakPolarHBondContact CB-OD1 3.42Å; E244-D246 PolarHBondContact O-N 3.16Å
247L81.1Confident88.8Confident72 Ų7256.6 Ų56.638%0.37729%0.293SS..SBendtrans-101.4-2-178.8-152.477.2000113.1R61 E244 E249R61-L247 HydrophobicContact CB-CD2 4.37Å; R61-L247 VanDerWaalsContact CD-CD2 3.43Å; R61-L247 HydrophobicContact CG-CD2 3.89Å; E244-L247 HydrophobicContact CB-CB 4.39Å; L247-E249 PolarHBondContact O-N 3.06Å
248G72.9Confident88.5Confident21 Ų2159 Ų5922%0.21630%0.299CS..  trans-77.4102.6-178.200000112.1Y207 E244Y207-G248 VanDerWaalsContact OH-CA 3.25Å; Y207-G248 WeakPolarHBondContact OH-CA 3.39Å; Y207-G248 PolarHBondContact OH-O 3.32Å; E244-G248 PolarHBondContact O-N 3.5Å
249E80.4Confident88Confident146 Ų14663.5 Ų63.568%0.68232%0.322SS*.  trans-94.9128.9169.7-169.3172-168.800110.2R215 L247R215-E249 VanDerWaalsContact CD-O 3.26Å; R215-E249 WeakPolarHBondContact CD-O 3.03Å; R215-E249 PolarHBondContact NE-O 3.34Å; L247-E249 PolarHBondContact O-N 3.06Å
250E85.4Confident87.4Confident118 Ų11867.7 Ų67.755%0.55134%0.34SS*.  trans-79.8128.7171.1-73.1179.1-162.300109.4Y207 R215 R217Y207-E250 HydrophobicContact CE1-CG 4.11Å; R215-E250 WeakPolarHBondContact O-CA 3.48Å; R217-E250 HydrophobicContact CB-CG 3.86Å; R217-E250 WeakPolarHBondContact CB-OE1 3.22Å; R217-E250 WeakPolarHBondContact CD-OE1 3.23Å
251V87.6Confident86.9Confident18 Ų1872.1 Ų72.111%0.10936%0.36CS..BIsolated β-bridgetrans-118.6115.2178179.70000107.5E214 R215 V255 A256 I259E214-V251 WeakPolarHBondContact CG-O 3.45Å; R215-V251 HydrophobicContact CB-CB 4.04Å; R215-V251 HydrophobicContact CB-CG2 4.27Å; R215-V251 PolarHBondContact N-O 3.05Å; R215-V251 PolarHBondContact O-N 3.21Å; V251-V255 HydrophobicContact CG1-CB 4.13Å; V251-V255 HydrophobicContact CG1-CG1 4.08Å; V251-A256 HydrophobicContact CG1-CB 3.95Å; V251-I259 HydrophobicContact CB-CD1 4.27Å; V251-I259 HydrophobicContact CG1-CD1 3.46Å; V251-I259 VanDerWaalsContact CG1-CD1 3.46Å; V251-I259 HydrophobicContact CG1-CG1 4.49Å; V251-I259 HydrophobicContact CG2-CD1 3.91Å
252T87.2Confident86.6Confident79 Ų7978 Ų7849%0.48539%0.387SS..  trans-73.2161175.361.30000111.3D254 V255 A256T252-D254 PolarHBondContact O-N 2.92Å; T252-V255 PolarHBondContact O-N 3.07Å; T252-V255 VanDerWaalsContact O-N 3.16Å; T252-V255 WeakPolarHBondContact OG1-CG2 3.25Å; T252-A256 WeakPolarHBondContact O-CB 3.14Å; T252-A256 PolarHBondContact O-N 2.86Å
253Y85.5Confident86.4Confident131 Ų13184 Ų8451%0.51442%0.418SS..Hα-helixtrans-54.2-39.4177.1-179.5-97.1000113.5A256 Q257Y253-A256 PolarHBondContact O-N 2.73Å; Y253-Q257 VanDerWaalsContact CE1-NE2 3.32Å; Y253-Q257 PolarHBondContact O-NE2 3Å
254D84.9Confident86.4Confident109 Ų10987.6 Ų87.658%0.58344%0.442SS*.Hα-helixtrans-67.6-40.3179.8-61.9-31.7000111.7T252 Y258T252-D254 PolarHBondContact O-N 2.92Å; D254-Y258 WeakPolarHBondContact O-CD2 3.3Å; D254-Y258 WeakPolarHBondContact O-CE2 3.41Å
255V87.2Confident86.5Confident76 Ų7689.5 Ų89.546%0.46145%0.454SS..Hα-helixtrans-72.9-36.3178.21780000111.3V251 T252 Q257 Y258 I259V251-V255 HydrophobicContact CG1-CB 4.13Å; V251-V255 HydrophobicContact CG1-CG1 4.08Å; T252-V255 PolarHBondContact O-N 3.07Å; T252-V255 VanDerWaalsContact O-N 3.16Å; T252-V255 WeakPolarHBondContact OG1-CG2 3.25Å; V255-Q257 PolarHBondContact O-N 2.87Å; V255-Q257 VanDerWaalsContact O-N 3.15Å; V255-Y258 WeakPolarHBondContact O-CB 3.42Å; V255-Y258 PolarHBondContact O-N 3.48Å; V255-I259 PolarHBondContact O-N 2.93Å
256A87.8Confident86.6Confident0 Ų090.2 Ų90.20%045%0.452CS..Hα-helixtrans-56.4-32.9-178.700000113.2G213 E214 V251 T252 Y253 Y258 I259G213-A256 VanDerWaalsContact C-CB 3.43Å; E214-A256 HydrophobicContact CB-CB 4.3Å; E214-A256 VanDerWaalsContact N-CB 3.33Å; V251-A256 HydrophobicContact CG1-CB 3.95Å; T252-A256 WeakPolarHBondContact O-CB 3.14Å; T252-A256 PolarHBondContact O-N 2.86Å; Y253-A256 PolarHBondContact O-N 2.73Å; A256-Y258 PolarHBondContact O-N 3.41Å; A256-I259 PolarHBondContact O-N 3.43Å
257Q85.7Confident86.9Confident95 Ų9589.9 Ų89.944%0.44445%0.45SS..THydrogen-bonded Turntrans-60.8-28.5176.4-65.7171.853.100112.4Y253 V255 F261Y253-Q257 VanDerWaalsContact CE1-NE2 3.32Å; Y253-Q257 PolarHBondContact O-NE2 3Å; V255-Q257 PolarHBondContact O-N 2.87Å; V255-Q257 VanDerWaalsContact O-N 3.15Å; Q257-F261 WeakPolarHBondContact O-CE2 3.48Å
258Y87.7Confident87.5Confident116 Ų11688.4 Ų88.446%0.45545%0.446SS..THydrogen-bonded Turntrans-92.4-18.6-176.1-59.4-74.5000114D254 V255 A256 K260 F261 L266 F269D254-Y258 WeakPolarHBondContact O-CD2 3.3Å; D254-Y258 WeakPolarHBondContact O-CE2 3.41Å; V255-Y258 WeakPolarHBondContact O-CB 3.42Å; V255-Y258 PolarHBondContact O-N 3.48Å; A256-Y258 PolarHBondContact O-N 3.41Å; Y258-K260 PolarHBondContact O-N 2.94Å; Y258-K260 VanDerWaalsContact O-N 3.07Å; Y258-F261 HydrophobicContact CD1-CD2 4.08Å; Y258-F261 HydrophobicContact CD1-CE2 4.06Å; Y258-F261 PolarHBondContact O-N 3.3Å; Y258-L266 HydrophobicContact CD1-CD2 4.26Å; Y258-L266 HydrophobicContact CG-CD2 4.45Å; Y258-F269 HydrophobicContact CD1-CD2 4.4Å
259I85.4Confident88.5Confident95 Ų9590.6 Ų90.649%0.48745%0.45SS..THydrogen-bonded Turntrans-58-27.2-178-78.7-178.1000113.1V251 V255 A256 F261V251-I259 HydrophobicContact CB-CD1 4.27Å; V251-I259 HydrophobicContact CG1-CD1 3.46Å; V251-I259 VanDerWaalsContact CG1-CD1 3.46Å; V251-I259 HydrophobicContact CG1-CG1 4.49Å; V251-I259 HydrophobicContact CG2-CD1 3.91Å; V255-I259 PolarHBondContact O-N 2.93Å; A256-I259 PolarHBondContact O-N 3.43Å; I259-F261 VanDerWaalsContact C-N 3.31Å
260K82.8Confident89.2Confident158 Ų15887 Ų8769%0.68744%0.437SS*.THydrogen-bonded Turntrans-81.3-10-178.6-63.5-179.7-176.3175.10113.2Y258Y258-K260 PolarHBondContact O-N 2.94Å; Y258-K260 VanDerWaalsContact O-N 3.07Å
261F87.7Confident89.8Confident94 Ų9487.2 Ų87.241%0.41244%0.439SS..SBendtrans-87.7147.4177.5-61.5-63.7000111.6Q257 Y258 I259 V265 L266 F269Q257-F261 WeakPolarHBondContact O-CE2 3.48Å; Y258-F261 HydrophobicContact CD1-CD2 4.08Å; Y258-F261 HydrophobicContact CD1-CE2 4.06Å; Y258-F261 PolarHBondContact O-N 3.3Å; I259-F261 VanDerWaalsContact C-N 3.31Å; F261-V265 HydrophobicContact CB-CB 4.29Å; F261-V265 HydrophobicContact CB-CG1 4.25Å; F261-V265 HydrophobicContact CD1-CG1 4.12Å; F261-V265 HydrophobicContact CG-CG1 4.31Å; F261-L266 HydrophobicContact CB-CD2 3.78Å; F261-L266 HydrophobicContact CB-CG 3.98Å; F261-L266 HydrophobicContact CD2-CD2 4.11Å; F261-L266 HydrophobicContact CG-CD2 4.4Å; F261-F269 HydrophobicContact CD1-CE2 4.48Å; F261-F269 AromaticContact CD2-CE2 3.79Å; F261-F269 HydrophobicContact CD2-CE2 3.79Å; F261-F269 AromaticContact CE2-CE2 3.98Å; F261-F269 HydrophobicContact CE2-CE2 3.98Å; F261-F269 HydrophobicContact CG-CE2 4.09Å; F261-F269 HydrophobicContact CZ-CE2 4.39Å
262E88.6Confident90.2Very high144 Ų14492.7 Ų92.767%0.67346%0.461SS*.  trans-70.7151.6172-59.7-176169.500110.9P264 V265 L266E262-P264 VanDerWaalsContact C-CD 3.41Å; E262-P264 VanDerWaalsContact C-N 3.32Å; E262-V265 HydrophobicContact CB-CG2 4.49Å; E262-V265 WeakPolarHBondContact O-CB 3.31Å; E262-V265 PolarHBondContact O-N 3.36Å; E262-L266 PolarHBondContact O-N 3.29Å; E262-L266 VanDerWaalsContact O-N 3.1Å
263I91.8Very high90.6Very high126 Ų12694.9 Ų94.965%0.64647%0.469SS*.Hα-helixtrans-50-44.6-179.5-61.3167.8000112.6V265 L266 D267I263-V265 VanDerWaalsContact C-N 3.28Å; I263-V265 PolarHBondContact O-N 2.99Å; I263-L266 WeakPolarHBondContact O-CB 3.32Å; I263-L266 PolarHBondContact O-N 3.07Å; I263-L266 VanDerWaalsContact O-N 3.14Å; I263-D267 PolarHBondContact O-N 3.07Å
264P93.4Very high91.2Very high86 Ų8694.9 Ų94.956%0.55847%0.472SS*.Hα-helixtrans-63.5-32178.8-22.434.7000113.9E262 S268E262-P264 VanDerWaalsContact C-CD 3.41Å; E262-P264 VanDerWaalsContact C-N 3.32Å; P264-S268 PolarHBondContact O-N 3.16Å; P264-S268 VanDerWaalsContact O-N 3.11Å
265V94.3Very high91.8Very high53 Ų5394.7 Ų94.732%0.32147%0.467SS..Hα-helixtrans-70.6-42.5176.6179.50000109.5F261 E262 I263 D267 S268 F269F261-V265 HydrophobicContact CB-CB 4.29Å; F261-V265 HydrophobicContact CB-CG1 4.25Å; F261-V265 HydrophobicContact CD1-CG1 4.12Å; F261-V265 HydrophobicContact CG-CG1 4.31Å; E262-V265 HydrophobicContact CB-CG2 4.49Å; E262-V265 WeakPolarHBondContact O-CB 3.31Å; E262-V265 PolarHBondContact O-N 3.36Å; I263-V265 VanDerWaalsContact C-N 3.28Å; I263-V265 PolarHBondContact O-N 2.99Å; V265-D267 VanDerWaalsContact C-N 3.35Å; V265-S268 WeakPolarHBondContact O-CB 3.36Å; V265-S268 PolarHBondContact O-N 3.3Å; V265-S268 PolarHBondContact O-OG 2.88Å; V265-F269 HydrophobicContact CG1-CD2 4.46Å; V265-F269 HydrophobicContact CG1-CE1 4.18Å; V265-F269 HydrophobicContact CG1-CE2 3.72Å; V265-F269 HydrophobicContact CG1-CZ 3.56Å; V265-F269 WeakPolarHBondContact O-CG 3.23Å; V265-F269 PolarHBondContact O-N 2.85Å; V265-F269 VanDerWaalsContact O-N 3.1Å
266L92.6Very high92.3Very high52 Ų5295.1 Ų95.127%0.27246%0.464SS..Hα-helixtrans-61.2-43.6174.7-63.3175.6000111.6Y258 F261 E262 I263 S268 F269 V270Y258-L266 HydrophobicContact CD1-CD2 4.26Å; Y258-L266 HydrophobicContact CG-CD2 4.45Å; F261-L266 HydrophobicContact CB-CD2 3.78Å; F261-L266 HydrophobicContact CB-CG 3.98Å; F261-L266 HydrophobicContact CD2-CD2 4.11Å; F261-L266 HydrophobicContact CG-CD2 4.4Å; E262-L266 PolarHBondContact O-N 3.29Å; E262-L266 VanDerWaalsContact O-N 3.1Å; I263-L266 WeakPolarHBondContact O-CB 3.32Å; I263-L266 PolarHBondContact O-N 3.07Å; I263-L266 VanDerWaalsContact O-N 3.14Å; L266-S268 VanDerWaalsContact C-N 3.26Å; L266-S268 PolarHBondContact O-N 2.74Å; L266-F269 HydrophobicContact CD2-CD2 4.13Å; L266-F269 HydrophobicContact CD2-CE2 4.44Å; L266-F269 WeakPolarHBondContact O-CB 3.33Å; L266-F269 PolarHBondContact O-N 3.34Å; L266-V270 WeakPolarHBondContact O-CG2 3.18Å; L266-V270 PolarHBondContact O-N 3.28Å
267D94.2Very high92.7Very high98 Ų98100.9 Ų100.952%0.52449%0.491SS..Hα-helixtrans-57.7-41.9175.4-70.9-27.9000111.1I263 V265 F269 V270 E271I263-D267 PolarHBondContact O-N 3.07Å; V265-D267 VanDerWaalsContact C-N 3.35Å; D267-F269 VanDerWaalsContact C-N 3.32Å; D267-F269 PolarHBondContact O-N 3.06Å; D267-V270 PolarHBondContact O-N 3.05Å; D267-E271 WeakPolarHBondContact O-CB 3.37Å; D267-E271 PolarHBondContact O-N 2.9Å
268S95.4Very high93.3Very high41 Ų41101.6 Ų101.629%0.28749%0.494SS..Hα-helixtrans-64.9-32.7176.583.70000113.4P264 V265 L266 K272P264-S268 PolarHBondContact O-N 3.16Å; P264-S268 VanDerWaalsContact O-N 3.11Å; V265-S268 WeakPolarHBondContact O-CB 3.36Å; V265-S268 PolarHBondContact O-N 3.3Å; V265-S268 PolarHBondContact O-OG 2.88Å; L266-S268 VanDerWaalsContact C-N 3.26Å; L266-S268 PolarHBondContact O-N 2.74Å; S268-K272 WeakPolarHBondContact O-CG 3.31Å; S268-K272 PolarHBondContact O-N 2.86Å; S268-K272 VanDerWaalsContact O-N 3.11Å
269F93.8Very high93.8Very high67 Ų67102.1 Ų102.129%0.29450%0.496SS..Hα-helixtrans-69-44.2173.9-62.9-32.3000110.9Y258 F261 V265 L266 D267 E271 K272 L273Y258-F269 HydrophobicContact CD1-CD2 4.4Å; F261-F269 HydrophobicContact CD1-CE2 4.48Å; F261-F269 AromaticContact CD2-CE2 3.79Å; F261-F269 HydrophobicContact CD2-CE2 3.79Å; F261-F269 AromaticContact CE2-CE2 3.98Å; F261-F269 HydrophobicContact CE2-CE2 3.98Å; F261-F269 HydrophobicContact CG-CE2 4.09Å; F261-F269 HydrophobicContact CZ-CE2 4.39Å; V265-F269 HydrophobicContact CG1-CD2 4.46Å; V265-F269 HydrophobicContact CG1-CE1 4.18Å; V265-F269 HydrophobicContact CG1-CE2 3.72Å; V265-F269 HydrophobicContact CG1-CZ 3.56Å; V265-F269 WeakPolarHBondContact O-CG 3.23Å; V265-F269 PolarHBondContact O-N 2.85Å; V265-F269 VanDerWaalsContact O-N 3.1Å; L266-F269 HydrophobicContact CD2-CD2 4.13Å; L266-F269 HydrophobicContact CD2-CE2 4.44Å; L266-F269 WeakPolarHBondContact O-CB 3.33Å; L266-F269 PolarHBondContact O-N 3.34Å; D267-F269 VanDerWaalsContact C-N 3.32Å; D267-F269 PolarHBondContact O-N 3.06Å; F269-E271 VanDerWaalsContact C-N 3.32Å; F269-E271 PolarHBondContact O-N 2.9Å; F269-K272 PolarHBondContact O-N 2.87Å; F269-L273 WeakPolarHBondContact O-CB 3.43Å; F269-L273 VanDerWaalsContact O-CG 3.3Å; F269-L273 WeakPolarHBondContact O-CG 3.29Å; F269-L273 PolarHBondContact O-N 2.7Å
270V94.7Very high94.3Very high70 Ų70101.8 Ų101.842%0.42449%0.492SS..Hα-helixtrans-61.3-43.3177.3173.70000110.7L266 D267 L273 K274L266-V270 WeakPolarHBondContact O-CG2 3.18Å; L266-V270 PolarHBondContact O-N 3.28Å; D267-V270 PolarHBondContact O-N 3.05Å; V270-L273 PolarHBondContact O-N 2.85Å; V270-K274 HydrophobicContact CG1-CD 4.24Å; V270-K274 WeakPolarHBondContact O-CG 3.38Å; V270-K274 PolarHBondContact O-N 2.72Å
271E96.8Very high95Very high123 Ų12397.9 Ų97.958%0.57548%0.478SS*.Hα-helixtrans-61-49.4177.2-171.7173-156.200111.6D267 F269 L273 K274 E275D267-E271 WeakPolarHBondContact O-CB 3.37Å; D267-E271 PolarHBondContact O-N 2.9Å; F269-E271 VanDerWaalsContact C-N 3.32Å; F269-E271 PolarHBondContact O-N 2.9Å; E271-L273 VanDerWaalsContact C-N 3.32Å; E271-L273 PolarHBondContact O-N 2.78Å; E271-K274 WeakPolarHBondContact O-CB 3.45Å; E271-K274 PolarHBondContact O-N 2.76Å; E271-E275 PolarHBondContact O-N 3.01Å
272K96.7Very high95.5Very high134 Ų13496.2 Ų96.258%0.58348%0.475SS*.Hα-helixtrans-61-38.5177.3-76.3177.8-179.61750113.3S268 F269 E275 E276S268-K272 WeakPolarHBondContact O-CG 3.31Å; S268-K272 PolarHBondContact O-N 2.86Å; S268-K272 VanDerWaalsContact O-N 3.11Å; F269-K272 PolarHBondContact O-N 2.87Å; K272-E275 PolarHBondContact O-N 2.93Å; K272-E276 PolarHBondContact O-N 3.21Å
273L96.6Very high95.9Very high124 Ų12495.3 Ų95.365%0.64947%0.469SS*.Hα-helixtrans-66.2-40.2176.9-73.7172.1000111.5F269 V270 E271 E276 E277F269-L273 WeakPolarHBondContact O-CB 3.43Å; F269-L273 VanDerWaalsContact O-CG 3.3Å; F269-L273 WeakPolarHBondContact O-CG 3.29Å; F269-L273 PolarHBondContact O-N 2.7Å; V270-L273 PolarHBondContact O-N 2.85Å; E271-L273 VanDerWaalsContact C-N 3.32Å; E271-L273 PolarHBondContact O-N 2.78Å; L273-E276 PolarHBondContact O-N 3.01Å; L273-E277 WeakPolarHBondContact O-CB 3.4Å; L273-E277 PolarHBondContact O-N 2.72Å
274K97.1Very high96.2Very high132 Ų13295 Ų9557%0.57447%0.468SS*.Hα-helixtrans-63.5-41.8174.6-74174.5178.2176.90112.1V270 E271 E276 E277 E278V270-K274 HydrophobicContact CG1-CD 4.24Å; V270-K274 WeakPolarHBondContact O-CG 3.38Å; V270-K274 PolarHBondContact O-N 2.72Å; E271-K274 WeakPolarHBondContact O-CB 3.45Å; E271-K274 PolarHBondContact O-N 2.76Å; K274-E276 VanDerWaalsContact C-N 3.33Å; K274-E276 PolarHBondContact O-N 3.17Å; K274-E277 PolarHBondContact O-N 2.92Å; K274-E278 WeakPolarHBondContact O-CB 3.45Å; K274-E278 PolarHBondContact O-N 3.44Å
275E97.4Very high96.4Very high105 Ų10594.5 Ų94.549%0.49146%0.464SS..Hα-helixtrans-63.8-38.1175.7-71.2-177.7170.700112.6E271 K272 R279E271-E275 PolarHBondContact O-N 3.01Å; K272-E275 PolarHBondContact O-N 2.93Å; E275-R279 WeakPolarHBondContact O-CG 3.32Å; E275-R279 PolarHBondContact O-N 3Å; E275-R279 VanDerWaalsContact O-N 3.09Å; E275-R279 PolarHBondContact O-NE 3.42Å
276E97.2Very high96.5Very high84 Ų8499.1 Ų99.139%0.39348%0.479SS..Hα-helixtrans-66.5-45.5175.3-167.566.1-132.200111.5K272 L273 K274 E278 R279 E280K272-E276 PolarHBondContact O-N 3.21Å; L273-E276 PolarHBondContact O-N 3.01Å; K274-E276 VanDerWaalsContact C-N 3.33Å; K274-E276 PolarHBondContact O-N 3.17Å; E276-E278 PolarHBondContact O-N 3.12Å; E276-R279 PolarHBondContact O-N 3.45Å; E276-R279 IonicContact OE1-CZ 3.07Å; E276-R279 IonicContact OE1-NH1 2.76Å; E276-R279 PolarHBondContact OE1-NH1 3.15Å; E276-R279 IonicContact OE2-CZ 3.31Å; E276-R279 IonicContact OE2-NH1 2.82Å; E276-R279 PolarHBondContact OE2-NH1 2.68Å; E276-R279 IonicContact OE2-NH2 3.9Å; E276-R279 PolarHBondContact OE2-NH2 2.99Å; E276-E280 PolarHBondContact O-N 3.39Å
277E97.2Very high96.7Very high122 Ų122103.4 Ų103.457%0.5750%0.496SS*.Hα-helixtrans-57.7-48.2176.2-176.9176.4-153.400111L273 K274 R279 E280 I281L273-E277 WeakPolarHBondContact O-CB 3.4Å; L273-E277 PolarHBondContact O-N 2.72Å; K274-E277 PolarHBondContact O-N 2.92Å; E277-R279 VanDerWaalsContact C-N 3.31Å; E277-R279 PolarHBondContact O-N 3.43Å; E277-E280 PolarHBondContact O-N 2.83Å; E277-I281 HydrophobicContact CG-CD1 3.94Å; E277-I281 HydrophobicContact CG-CG1 4.49Å; E277-I281 VanDerWaalsContact O-CG1 3.31Å; E277-I281 WeakPolarHBondContact O-CG1 3.35Å; E277-I281 PolarHBondContact O-N 2.92Å
278E97.7Very high96.9Very high109 Ų109105.8 Ų105.851%0.50950%0.498SS..Hα-helixtrans-61-40.3177.7-173.459.7-14500111.7K274 E276 E280 I281 V282K274-E278 WeakPolarHBondContact O-CB 3.45Å; K274-E278 PolarHBondContact O-N 3.44Å; E276-E278 PolarHBondContact O-N 3.12Å; E278-E280 PolarHBondContact O-N 3.36Å; E278-I281 PolarHBondContact O-N 2.89Å; E278-V282 VanDerWaalsContact O-CG2 3.31Å; E278-V282 WeakPolarHBondContact O-CG2 3.27Å; E278-V282 PolarHBondContact O-N 3.17Å
279R97.5Very high97Very high128 Ų128106.5 Ų106.548%0.48350%0.503SS..Hα-helixtrans-62.6-42176.2-81.2-174.6-83.1112-3.8112.2E275 E276 E277 K283E275-R279 WeakPolarHBondContact O-CG 3.32Å; E275-R279 PolarHBondContact O-N 3Å; E275-R279 VanDerWaalsContact O-N 3.09Å; E275-R279 PolarHBondContact O-NE 3.42Å; E276-R279 PolarHBondContact O-N 3.45Å; E276-R279 IonicContact OE1-CZ 3.07Å; E276-R279 IonicContact OE1-NH1 2.76Å; E276-R279 PolarHBondContact OE1-NH1 3.15Å; E276-R279 IonicContact OE2-CZ 3.31Å; E276-R279 IonicContact OE2-NH1 2.82Å; E276-R279 PolarHBondContact OE2-NH1 2.68Å; E276-R279 IonicContact OE2-NH2 3.9Å; E276-R279 PolarHBondContact OE2-NH2 2.99Å; E277-R279 VanDerWaalsContact C-N 3.31Å; E277-R279 PolarHBondContact O-N 3.43Å; R279-K283 WeakPolarHBondContact O-CB 3.29Å; R279-K283 PolarHBondContact O-N 3.22Å
280E97.3Very high97Very high87 Ų87106.3 Ų106.341%0.40752%0.515SS..Hα-helixtrans-71-36.8176.3-75.4-62144.900112.3E276 E277 E278 V282 K283 L284E276-E280 PolarHBondContact O-N 3.39Å; E277-E280 PolarHBondContact O-N 2.83Å; E278-E280 PolarHBondContact O-N 3.36Å; E280-V282 PolarHBondContact O-N 2.96Å; E280-K283 PolarHBondContact O-N 2.72Å; E280-K283 IonicContact OE1-NZ 2.78Å; E280-K283 PolarHBondContact OE1-NZ 2.99Å; E280-K283 IonicContact OE2-NZ 3.3Å; E280-K283 PolarHBondContact OE2-NZ 3.19Å; E280-L284 VanDerWaalsContact O-CB 3.29Å; E280-L284 WeakPolarHBondContact O-CB 3.38Å; E280-L284 PolarHBondContact O-N 3.44Å
281I97.4Very high97.1Very high77 Ų77106.9 Ų106.940%0.39552%0.515SS..Hα-helixtrans-59.4-48.4172.7-70.9168.7000110.5E277 E278 K283 L284 T285E277-I281 HydrophobicContact CG-CD1 3.94Å; E277-I281 HydrophobicContact CG-CG1 4.49Å; E277-I281 VanDerWaalsContact O-CG1 3.31Å; E277-I281 WeakPolarHBondContact O-CG1 3.35Å; E277-I281 PolarHBondContact O-N 2.92Å; E278-I281 PolarHBondContact O-N 2.89Å; I281-K283 VanDerWaalsContact C-N 3.33Å; I281-K283 PolarHBondContact O-N 2.92Å; I281-L284 PolarHBondContact O-N 3.24Å; I281-T285 VanDerWaalsContact O-CB 3.28Å; I281-T285 WeakPolarHBondContact O-CB 3.48Å; I281-T285 PolarHBondContact O-N 3.39Å; I281-T285 PolarHBondContact O-OG1 2.66Å
282V97.8Very high97Very high58 Ų58108 Ų10835%0.35251%0.514SS..Hα-helixtrans-61.2-43.9178.8169.30000110.9E278 E280 T285 K286E278-V282 VanDerWaalsContact O-CG2 3.31Å; E278-V282 WeakPolarHBondContact O-CG2 3.27Å; E278-V282 PolarHBondContact O-N 3.17Å; E280-V282 PolarHBondContact O-N 2.96Å; V282-T285 PolarHBondContact O-N 3.16Å; V282-K286 HydrophobicContact CG1-CD 4.22Å; V282-K286 WeakPolarHBondContact O-CB 3.35Å; V282-K286 WeakPolarHBondContact O-CG 3.44Å; V282-K286 PolarHBondContact O-N 3.26Å
283K97.7Very high96.9Very high125 Ų125105.4 Ų105.454%0.54351%0.512SS..Hα-helixtrans-64.1-44.7178.6-179.5177.3162.8-157.50111.9R279 E280 I281 K286 K287R279-K283 WeakPolarHBondContact O-CB 3.29Å; R279-K283 PolarHBondContact O-N 3.22Å; E280-K283 PolarHBondContact O-N 2.72Å; E280-K283 IonicContact OE1-NZ 2.78Å; E280-K283 PolarHBondContact OE1-NZ 2.99Å; E280-K283 IonicContact OE2-NZ 3.3Å; E280-K283 PolarHBondContact OE2-NZ 3.19Å; I281-K283 VanDerWaalsContact C-N 3.33Å; I281-K283 PolarHBondContact O-N 2.92Å; K283-K286 PolarHBondContact O-N 3Å; K283-K287 PolarHBondContact O-N 3.44Å
284L97.6Very high96.8Very high121 Ų121104.2 Ų104.263%0.63450%0.504SS*.Hα-helixtrans-64-43.3176.3-175.561.8000111.2E280 I281 K286 K287 Y288E280-L284 VanDerWaalsContact O-CB 3.29Å; E280-L284 WeakPolarHBondContact O-CB 3.38Å; E280-L284 PolarHBondContact O-N 3.44Å; I281-L284 PolarHBondContact O-N 3.24Å; L284-K286 PolarHBondContact O-N 2.92Å; L284-K287 PolarHBondContact O-N 3.46Å; L284-Y288 WeakPolarHBondContact O-CB 3.28Å; L284-Y288 PolarHBondContact O-N 2.97Å
285T97.2Very high96.6Very high75 Ų75102.2 Ų102.246%0.4650%0.499SS..Hα-helixtrans-62.6-42.6178.7-58.90000111.8I281 V282 S289I281-T285 VanDerWaalsContact O-CB 3.28Å; I281-T285 WeakPolarHBondContact O-CB 3.48Å; I281-T285 PolarHBondContact O-N 3.39Å; I281-T285 PolarHBondContact O-OG1 2.66Å; V282-T285 PolarHBondContact O-N 3.16Å; T285-S289 WeakPolarHBondContact O-CB 3.21Å; T285-S289 PolarHBondContact O-N 3.39Å; T285-S289 PolarHBondContact O-OG 3.16Å
286K97.1Very high96.4Very high149 Ų149101 Ų10165%0.64850%0.496SS*.Hα-helixtrans-62.1-46.2174.4-76.3175.4-179.3176.10111.5V282 K283 L284 S289 A290V282-K286 HydrophobicContact CG1-CD 4.22Å; V282-K286 WeakPolarHBondContact O-CB 3.35Å; V282-K286 WeakPolarHBondContact O-CG 3.44Å; V282-K286 PolarHBondContact O-N 3.26Å; K283-K286 PolarHBondContact O-N 3Å; L284-K286 PolarHBondContact O-N 2.92Å; K286-S289 PolarHBondContact O-N 3.1Å; K286-A290 PolarHBondContact O-N 3.3Å
287K97.3Very high96Very high143 Ų143103.5 Ų103.562%0.62251%0.507SS*.Hα-helixtrans-62.9-45.4178.9-171.4178.2-179.2-179.30111.6K283 L284 A290 L291K283-K287 PolarHBondContact O-N 3.44Å; L284-K287 PolarHBondContact O-N 3.46Å; K287-A290 PolarHBondContact O-N 3.49Å; K287-L291 HydrophobicContact CG-CD1 4.28Å; K287-L291 WeakPolarHBondContact O-CG 3.48Å; K287-L291 PolarHBondContact O-N 2.93Å; K287-L291 VanDerWaalsContact O-N 3.08Å
288Y97.3Very high95.5Very high147 Ų147103.8 Ų103.858%0.57651%0.508SS*.Hα-helixtrans-59.6-47175.3174.7-102.6000111.7L284 A290 L291 R292L284-Y288 WeakPolarHBondContact O-CB 3.28Å; L284-Y288 PolarHBondContact O-N 2.97Å; Y288-A290 PolarHBondContact O-N 3.49Å; Y288-L291 PolarHBondContact O-N 2.98Å; Y288-R292 WeakPolarHBondContact O-CB 2.97Å; Y288-R292 PolarHBondContact O-N 3.07Å
289S96.9Very high95Very high56 Ų56103.8 Ų103.839%0.39251%0.511SS..Hα-helixtrans-61.6-44.7179.6-590000112T285 K286 L291 R292 S293T285-S289 WeakPolarHBondContact O-CB 3.21Å; T285-S289 PolarHBondContact O-N 3.39Å; T285-S289 PolarHBondContact O-OG 3.16Å; K286-S289 PolarHBondContact O-N 3.1Å; S289-L291 PolarHBondContact O-N 3.28Å; S289-R292 PolarHBondContact O-N 3.11Å; S289-S293 PolarHBondContact O-N 3.35Å; S289-S293 PolarHBondContact O-OG 3.41Å
290A95.6Very high94.4Very high64 Ų64103.8 Ų103.853%0.52952%0.517SS..Hα-helixtrans-61.1-45.5177.300000112.3K286 K287 Y288 S293 M294K286-A290 PolarHBondContact O-N 3.3Å; K287-A290 PolarHBondContact O-N 3.49Å; Y288-A290 PolarHBondContact O-N 3.49Å; A290-S293 PolarHBondContact O-N 3.45Å; A290-M294 PolarHBondContact O-N 2.86Å
291L95.8Very high93.1Very high81 Ų81101.9 Ų101.942%0.42452%0.52SS..Hα-helixtrans-63.6-43.8176.5-73.8170.1000111.8K287 Y288 S289 S293 M294 I295K287-L291 HydrophobicContact CG-CD1 4.28Å; K287-L291 WeakPolarHBondContact O-CG 3.48Å; K287-L291 PolarHBondContact O-N 2.93Å; K287-L291 VanDerWaalsContact O-N 3.08Å; Y288-L291 PolarHBondContact O-N 2.98Å; S289-L291 PolarHBondContact O-N 3.28Å; L291-S293 PolarHBondContact O-N 3.09Å; L291-M294 HydrophobicContact CD2-CE 3.75Å; L291-M294 PolarHBondContact O-N 2.79Å; L291-I295 WeakPolarHBondContact O-CG1 3.07Å; L291-I295 PolarHBondContact O-N 3.39Å
292R95.4Very high91.4Very high148 Ų148107.5 Ų107.556%0.55854%0.537SS*.Hα-helixtrans-59.3-46.6176.9-176.2-178176.2-154.1-1.1111.2Y288 S289 M294 I295 L296Y288-R292 WeakPolarHBondContact O-CB 2.97Å; Y288-R292 PolarHBondContact O-N 3.07Å; S289-R292 PolarHBondContact O-N 3.11Å; R292-M294 VanDerWaalsContact C-N 3.35Å; R292-M294 PolarHBondContact O-N 2.8Å; R292-I295 PolarHBondContact O-N 2.91Å; R292-L296 HydrophobicContact CG-CD1 4.1Å; R292-L296 WeakPolarHBondContact O-CB 3.43Å; R292-L296 WeakPolarHBondContact O-CG 3.23Å; R292-L296 PolarHBondContact O-N 2.77Å
293S94.1Very high89.5Confident78 Ų78106.8 Ų106.855%0.54554%0.541SS..Hα-helixtrans-61.6-41.4176.5-67.80000112.4S289 A290 L291 L296 H297S289-S293 PolarHBondContact O-N 3.35Å; S289-S293 PolarHBondContact O-OG 3.41Å; A290-S293 PolarHBondContact O-N 3.45Å; L291-S293 PolarHBondContact O-N 3.09Å; S293-L296 PolarHBondContact O-N 3.26Å; S293-H297 WeakPolarHBondContact O-CB 3.11Å; S293-H297 PolarHBondContact O-N 3.32Å
294M93.4Very high87.4Confident99 Ų99107.8 Ų107.849%0.48855%0.547SS..Hα-helixtrans-61.7-44.9176.5-178.4-179.267.600111.9A290 L291 R292 H297 Q298A290-M294 PolarHBondContact O-N 2.86Å; L291-M294 HydrophobicContact CD2-CE 3.75Å; L291-M294 PolarHBondContact O-N 2.79Å; R292-M294 VanDerWaalsContact C-N 3.35Å; R292-M294 PolarHBondContact O-N 2.8Å; M294-H297 PolarHBondContact O-N 3.08Å; M294-Q298 WeakPolarHBondContact O-CG 3.46Å; M294-Q298 PolarHBondContact O-N 3.27Å
295I93.9Very high85.4Confident91 Ų91105.7 Ų105.747%0.46754%0.543SS..Hα-helixtrans-64.5-45.5178-67.6167.1000110.6L291 R292 H297 Q298 L299L291-I295 WeakPolarHBondContact O-CG1 3.07Å; L291-I295 PolarHBondContact O-N 3.39Å; R292-I295 PolarHBondContact O-N 2.91Å; I295-H297 PolarHBondContact O-N 2.91Å; I295-Q298 PolarHBondContact O-N 2.76Å; I295-L299 HydrophobicContact CG2-CD1 3.9Å; I295-L299 HydrophobicContact CG2-CG 4.39Å; I295-L299 WeakPolarHBondContact O-CG 3.26Å; I295-L299 PolarHBondContact O-N 3.31Å
296L92.2Very high83.3Confident79 Ų79106.6 Ų106.641%0.41455%0.552SS.*Hα-helixtrans-60.3-45.3178-74.1172.1000111.9R292 S293 Q298 L299 E300R292-L296 HydrophobicContact CG-CD1 4.1Å; R292-L296 WeakPolarHBondContact O-CB 3.43Å; R292-L296 WeakPolarHBondContact O-CG 3.23Å; R292-L296 PolarHBondContact O-N 2.77Å; S293-L296 PolarHBondContact O-N 3.26Å; L296-Q298 VanDerWaalsContact C-N 3.32Å; L296-Q298 PolarHBondContact O-N 3.34Å; L296-L299 PolarHBondContact O-N 3.5Å; L296-L299 VanDerWaalsContact O-N 3.15Å; L296-E300 PolarHBondContact O-N 3.18Å
297H88.8Confident81.1Confident137 Ų137106.7 Ų106.763%0.63456%0.56SS**Hα-helixtrans-62.3-38.2176.9-173-80.5000112.2S293 M294 I295 G301S293-H297 WeakPolarHBondContact O-CB 3.11Å; S293-H297 PolarHBondContact O-N 3.32Å; M294-H297 PolarHBondContact O-N 3.08Å; I295-H297 PolarHBondContact O-N 2.91Å; H297-G301 PolarHBondContact O-N 2.84Å
298Q88.5Confident78.9Confident128 Ų128110.8 Ų110.860%0.59857%0.571SS**Hα-helixtrans-66.4-37.8174-74.9-174.3400112.6M294 I295 L296 R302M294-Q298 WeakPolarHBondContact O-CG 3.46Å; M294-Q298 PolarHBondContact O-N 3.27Å; I295-Q298 PolarHBondContact O-N 2.76Å; L296-Q298 VanDerWaalsContact C-N 3.32Å; L296-Q298 PolarHBondContact O-N 3.34Å; Q298-R302 WeakPolarHBondContact O-CB 3.14Å; Q298-R302 PolarHBondContact O-N 3.41Å
299L87.3Confident76.3Confident109 Ų109113.3 Ų113.357%0.57160%0.601SS**Hα-helixtrans-67.6-43.4176.7-70.6169.6000111.8I295 L296 R302 G303I295-L299 HydrophobicContact CG2-CD1 3.9Å; I295-L299 HydrophobicContact CG2-CG 4.39Å; I295-L299 WeakPolarHBondContact O-CG 3.26Å; I295-L299 PolarHBondContact O-N 3.31Å; L296-L299 PolarHBondContact O-N 3.5Å; L296-L299 VanDerWaalsContact O-N 3.15Å; L299-R302 PolarHBondContact O-N 2.94Å; L299-G303 PolarHBondContact O-N 2.97Å
300E83.2Confident75.3Confident127 Ų127116.2 Ų116.259%0.59361%0.612SS**Hα-helixtrans-63.6-43175.4-76.1176.5176.500112L296 R302 G303 H304L296-E300 PolarHBondContact O-N 3.18Å; E300-R302 PolarHBondContact O-N 3.23Å; E300-G303 PolarHBondContact O-N 2.87Å; E300-H304 PolarHBondContact O-ND1 3.17Å
301G69.8Low74.3Confident47 Ų47118.9 Ų118.949%0.48562%0.616SS.*Hα-helixtrans-62.7-28.7176.700000113.9H297H297-G301 PolarHBondContact O-N 2.84Å
302R61.8Low73.1Confident195 Ų195121 Ų12174%0.73663%0.627SS**Hα-helixtrans-82.2-26.6179.6-141.3168.1-178.7-98.10.9113.2Q298 L299 E300 S305Q298-R302 WeakPolarHBondContact O-CB 3.14Å; Q298-R302 PolarHBondContact O-N 3.41Å; L299-R302 PolarHBondContact O-N 2.94Å; E300-R302 PolarHBondContact O-N 3.23Å; R302-S305 PolarHBondContact O-OG 2.96Å
303G58.2Low71.7Confident43 Ų43119.4 Ų119.444%0.44363%0.631SS.*Hα-helixtrans-64.8-39.5172.800000112.9L299 E300 S305 S306L299-G303 PolarHBondContact O-N 2.97Å; E300-G303 PolarHBondContact O-N 2.87Å; G303-S305 VanDerWaalsContact C-N 3.34Å; G303-S305 PolarHBondContact O-N 3.08Å; G303-S306 PolarHBondContact O-N 2.73Å
304H54.5Low70.3Confident147 Ų147122 Ų12268%0.68164%0.636SS**Hα-helixtrans-74.9-19.1-178.1-6679.8000114.2E300E300-H304 PolarHBondContact O-ND1 3.17Å
305S54.3Low68.8Low77 Ų77123.5 Ų123.554%0.53865%0.646SS.*Hα-helixtrans-81.8-16.9175.457.20000114.1R302 G303R302-S305 PolarHBondContact O-OG 2.96Å; G303-S305 VanDerWaalsContact C-N 3.34Å; G303-S305 PolarHBondContact O-N 3.08Å
306S53.3Low67Low93 Ų93125.9 Ų125.965%0.6566%0.659SS**Hα-helixtrans-87.9-19-178.8-1630000113.7G303 R308G303-S306 PolarHBondContact O-N 2.73Å; S306-R308 VanDerWaalsContact C-N 3.34Å
307D52.5Low65.1Low152 Ų152129.5 Ų129.581%0.81368%0.678SS**THydrogen-bonded Turntrans-90.49.6-179.8-86.9-11.4000113.8
308R50.6Low63.1Low229 Ų229128.8 Ų128.886%0.86468%0.682SS**THydrogen-bonded Turntrans-115.321.6-178.2-87.5-167.8170.6-166.6-1114.9S306S306-R308 VanDerWaalsContact C-N 3.34Å
309V43.3Very low60.8Low199 Ų199128.9 Ų128.9100%1.20669%0.689SS**  trans-112.50172.9-175.40000110.4

Retrieved 309 of 309 residues in 227.7 ms (Link to these results)

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