A0A077ZL91_TRITR Loading...

Putative 3-beta hydroxysteroid dehydrogenase

AlphaFold DB , UniProt , Accession A0A077ZL91, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 368 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
1M40.3Very low84.7Confident239 Ų23972.5 Ų72.5100%1.17740%0.398SS*.  0112.70-75.2173.6179.200106.6M3M1-M3 PolarHBondContact O-N 3.28Å
2T51.1Low85.7Confident145 Ų14567.1 Ų67.189%0.8937%0.372SS*.PPolyproline II helixtrans-62.3119.3169.440.30000107.3A4T2-A4 PolarHBondContact O-N 3.46Å
3M69.3Low86.6Confident178 Ų17861.9 Ų61.988%0.87734%0.343SS*.PPolyproline II helixtrans-57.5138.9172.7-70-163.7-73.100108.4M1 K5M1-M3 PolarHBondContact O-N 3.28Å; M3-K5 PolarHBondContact O-N 2.91Å
4A87Confident87.3Confident97 Ų9759.1 Ų59.180%0.80233%0.33SS*.PPolyproline II helixtrans-58.3133.6173.700000108.6T2T2-A4 PolarHBondContact O-N 3.46Å
5K94.7Very high87.8Confident94 Ų9456.5 Ų56.541%0.40932%0.322SS..PPolyproline II helixtrans-68.4150176.3-73.5-172.5172.4-159.20110.3M3 A30 D31 K32 D34M3-K5 PolarHBondContact O-N 2.91Å; K5-A30 PolarHBondContact NZ-O 3.43Å; K5-D31 WeakPolarHBondContact CE-O 3.45Å; K5-K32 CarbonylContact C-O 3.49Å; K5-K32 VanDerWaalsContact CA-O 3.25Å; K5-K32 WeakPolarHBondContact CA-O 3.31Å; K5-K32 WeakPolarHBondContact CB-O 3.42Å; K5-D34 HydrophobicContact CB-CB 3.77Å; K5-D34 HydrophobicContact CD-CB 4.37Å
6D96.9Very high88.4Confident13 Ų1353.8 Ų53.87%0.0731%0.306CS..EExtended strand (participates in β ladder)trans-72.9138.8179.4-70-36.3000111.1V8 K32 V33 D34 T77 K244D6-V8 HydrophobicContact CB-CG2 4.08Å; D6-K32 PolarHBondContact N-O 2.77Å; D6-V33 HydrophobicContact CB-CG2 4.25Å; D6-V33 CarbonylContact O-C 3.6Å; D6-V33 WeakPolarHBondContact O-CA 3.22Å; D6-V33 WeakPolarHBondContact O-CG1 3.46Å; D6-D34 PolarHBondContact O-N 3.37Å; D6-T77 WeakPolarHBondContact CA-OG1 3.11Å; D6-T77 VanDerWaalsContact CB-OG1 3.31Å; D6-T77 WeakPolarHBondContact CB-OG1 3.4Å; D6-T77 PolarHBondContact OD1-OG1 3.31Å; D6-K244 IonicContact OD1-NZ 2.91Å; D6-K244 PolarHBondContact OD1-NZ 3.36Å; D6-K244 IonicContact OD2-NZ 3.91Å; D6-K244 PolarHBondContact OD2-NZ 3.48Å
7I98.2Very high89Confident31 Ų3151.4 Ų51.416%0.15929%0.292CS..EExtended strand (participates in β ladder)trans-95.6113.7158.4-63.3-177.5000106.4E35 R37 A76 T77I7-E35 HydrophobicContact CB-CG 4.35Å; I7-E35 HydrophobicContact CG1-CG 4.04Å; I7-E35 HydrophobicContact CG2-CG 3.91Å; I7-R37 HydrophobicContact CG2-CG 4.47Å; I7-R37 VanDerWaalsContact CG2-CZ 3.49Å; I7-A76 HydrophobicContact CG2-CB 4.17Å; I7-T77 PolarHBondContact N-OG1 3.44Å; I7-T77 PolarHBondContact O-N 3.31Å; I7-T77 PolarHBondContact O-OG1 2.74Å
8V98.6Very high89.5Confident0 Ų048.5 Ų48.50%028%0.275CS..EExtended strand (participates in β ladder)trans-101.2130.4-174.2174.50000110D6 I10 I25 W29 V33 E35 I36 R37 I78 F80D6-V8 HydrophobicContact CB-CG2 4.08Å; V8-I10 HydrophobicContact CG1-CG1 4.07Å; V8-I25 HydrophobicContact CG1-CD1 4.05Å; V8-W29 HydrophobicContact CG2-CZ3 4.3Å; V8-V33 HydrophobicContact CB-CG1 4.37Å; V8-V33 HydrophobicContact CG2-CB 4.47Å; V8-V33 HydrophobicContact CG2-CG1 3.9Å; V8-V33 HydrophobicContact CG2-CG2 3.65Å; V8-E35 PolarHBondContact N-O 3.01Å; V8-E35 VanDerWaalsContact N-O 3.08Å; V8-I36 CarbonylContact O-C 3.54Å; V8-R37 PolarHBondContact O-N 3.4Å; V8-I78 HydrophobicContact CB-CG2 4.37Å; V8-I78 HydrophobicContact CG1-CG2 4.42Å; V8-I78 HydrophobicContact CG2-CG2 3.78Å; V8-F80 HydrophobicContact CG1-CD2 3.54Å; V8-F80 HydrophobicContact CG1-CE2 3.51Å
9V98.7Very high89.9Confident0 Ų045.9 Ų45.90%026%0.261CS..EExtended strand (participates in β ladder)trans-109.4133.1172.9177.90000109.8R37 I39 P72 L73 A76 I78 V79 F80V9-R37 CarbonylContact C-O 3.12Å; V9-R37 WeakPolarHBondContact CA-O 3.29Å; V9-R37 HydrophobicContact CG2-CB 4.11Å; V9-I39 HydrophobicContact CG1-CD1 3.54Å; V9-I39 HydrophobicContact CG1-CG1 3.98Å; V9-P72 VanDerWaalsContact CG2-O 3.27Å; V9-P72 WeakPolarHBondContact CG2-O 3.37Å; V9-L73 HydrophobicContact CB-CD2 4.47Å; V9-L73 HydrophobicContact CG1-CD2 4.09Å; V9-L73 HydrophobicContact CG2-CD2 4.28Å; V9-A76 HydrophobicContact CG2-CB 3.5Å; V9-A76 VanDerWaalsContact CG2-CB 3.5Å; V9-I78 PolarHBondContact N-O 3.5Å; V9-V79 HydrophobicContact CB-CG2 4.14Å; V9-V79 HydrophobicContact CG1-CG1 4.43Å; V9-V79 CarbonylContact O-C 3.52Å; V9-V79 WeakPolarHBondContact O-CA 3.36Å; V9-F80 PolarHBondContact O-N 2.78Å
10I98.7Very high90.3Very high0 Ų043.7 Ų43.70%025%0.248CC..EExtended strand (participates in β ladder)trans-123.3109.3176.9-53.5171.2000108.3V8 L21 I22 I25 I36 R37 I39 F80V8-I10 HydrophobicContact CG1-CG1 4.07Å; I10-L21 HydrophobicContact CD1-CD2 3.95Å; I10-L21 HydrophobicContact CD1-CG 4.13Å; I10-L21 HydrophobicContact CG1-CD2 4.04Å; I10-L21 HydrophobicContact CG2-CD2 3.95Å; I10-I22 HydrophobicContact CD1-CD1 4.4Å; I10-I22 HydrophobicContact CD1-CG1 3.51Å; I10-I25 HydrophobicContact CD1-CD1 3.77Å; I10-I36 HydrophobicContact CD1-CG2 3.71Å; I10-I36 HydrophobicContact CG1-CG2 4.34Å; I10-R37 PolarHBondContact N-O 2.68Å; I10-I39 PolarHBondContact O-N 2.82Å; I10-F80 WeakPolarHBondContact CA-O 3.2Å; I10-F80 HydrophobicContact CG1-CB 4.32Å; I10-F80 HydrophobicContact CG1-CD2 4.31Å; I10-F80 HydrophobicContact CG2-CB 4.49Å
11T98.3Very high90.7Very high0 Ų041.6 Ų41.60%024%0.236CC..EExtended strand (participates in β ladder)trans-79.7139169.1750000109.3G13 I39 I63 V79 F80 H81 T82 A83 L109T11-G13 VanDerWaalsContact C-N 3.26Å; T11-I39 CarbonylContact C-O 3.58Å; T11-I39 WeakPolarHBondContact CA-O 3.39Å; T11-I39 HydrophobicContact CG2-CD1 4.42Å; T11-I63 HydrophobicContact CG2-CD1 3.89Å; T11-I63 HydrophobicContact CG2-CG1 4.5Å; T11-V79 HydrophobicContact CG2-CG1 4.2Å; T11-F80 PolarHBondContact N-O 3.03Å; T11-H81 VanDerWaalsContact OG1-CA 3.29Å; T11-H81 WeakPolarHBondContact OG1-CA 3.47Å; T11-H81 PolarHBondContact OG1-ND1 2.59Å; T11-T82 CarbonylContact O-C 3.56Å; T11-T82 PolarHBondContact O-N 2.95Å; T11-T82 VanDerWaalsContact O-N 3.12Å; T11-T82 PolarHBondContact O-OG1 2.79Å; T11-T82 PolarHBondContact OG1-N 3.1Å; T11-A83 PolarHBondContact O-N 2.88Å; T11-A83 VanDerWaalsContact O-N 3.12Å; T11-A83 PolarHBondContact OG1-N 2.91Å; T11-L109 HydrophobicContact CG2-CD1 4.1Å; T11-L109 HydrophobicContact CG2-CD2 3.91Å
12G96.9Very high93.5Very high8 Ų830.2 Ų30.28%0.08218%0.18CC..THydrogen-bonded Turntrans74.720.7-17300000112.1S14 G15 I39 D40 T82G12-S14 PolarHBondContact O-N 3.27Å; G12-G15 WeakPolarHBondContact O-CA 3.45Å; G12-G15 PolarHBondContact O-N 3.39Å; G12-I39 PolarHBondContact N-O 2.94Å; G12-D40 VanDerWaalsContact CA-OD2 3.24Å; G12-D40 WeakPolarHBondContact CA-OD2 3.45Å; G12-T82 PolarHBondContact O-OG1 2.87Å
13G96.8Very high95.7Very high0 Ų023.3 Ų23.30%014%0.138CC..THydrogen-bonded Turntrans-66.9-20.3-173.100000113.9T11 G15 G18 I22T11-G13 VanDerWaalsContact C-N 3.26Å; G13-G15 VanDerWaalsContact C-N 3.3Å; G13-G18 CarbonylContact O-C 3.53Å; G13-I22 WeakPolarHBondContact O-CD1 3.42Å
14S96.5Very high97.1Very high22 Ų2214.8 Ų14.815%0.15410%0.096CC..THydrogen-bonded Turntrans-80.8-13.3171.6-54.80000112.4G12 D40 K42 F44G12-S14 PolarHBondContact O-N 3.27Å; S14-D40 VanDerWaalsContact CB-CG 3.5Å; S14-D40 WeakPolarHBondContact CB-OD2 3.45Å; S14-D40 PolarHBondContact N-OD2 3.23Å; S14-D40 WeakPolarHBondContact OG-CB 3.31Å; S14-K42 PolarHBondContact OG-O 2.94Å; S14-F44 WeakPolarHBondContact OG-CA 3.26Å
15G95.7Very high97.6Very high21 Ų2110.2 Ų10.222%0.2166%0.058CC..SBendtrans-80.8174.7179.800000114.6G12 G13 G18 Q19G12-G15 WeakPolarHBondContact O-CA 3.45Å; G12-G15 PolarHBondContact O-N 3.39Å; G13-G15 VanDerWaalsContact C-N 3.3Å; G15-G18 PolarHBondContact O-N 2.84Å; G15-Q19 WeakPolarHBondContact O-CG 3.12Å; G15-Q19 PolarHBondContact O-N 2.94Å
16F97Very high97.8Very high12 Ų126 Ų65%0.0534%0.039CC..Hα-helixtrans-53.6-60.3-174.3171.6-134.9000113.5G18 Q19 H20 M193 E196 G197 E198 A229F16-G18 VanDerWaalsContact C-N 3.33Å; F16-G18 PolarHBondContact O-N 3.41Å; F16-Q19 PolarHBondContact O-N 3.22Å; F16-H20 AromaticContact CD2-CD2 3.87Å; F16-H20 AromaticContact CE2-CD2 3.61Å; F16-H20 AromaticContact CE2-NE2 3.38Å; F16-H20 WeakPolarHBondContact CE2-NE2 3.31Å; F16-H20 PolarHBondContact O-CD2 2.91Å; F16-H20 PolarHBondContact O-N 3.41Å; F16-M193 HydrophobicContact CE1-CB 3.82Å; F16-E196 WeakPolarHBondContact CE2-O 3.31Å; F16-G197 WeakPolarHBondContact CD2-O 3.37Å; F16-E198 HydrophobicContact CE1-CB 4.21Å; F16-E198 HydrophobicContact CE1-CG 4.01Å; F16-E198 HydrophobicContact CE2-CB 4.06Å; F16-E198 HydrophobicContact CZ-CB 3.9Å; F16-E198 HydrophobicContact CZ-CG 4.12Å; F16-A229 HydrophobicContact CE1-CB 3.77Å; F16-A229 HydrophobicContact CE2-CB 3.72Å; F16-A229 HydrophobicContact CZ-CB 3.28Å
17L98Very high97.7Very high13 Ų139.5 Ų9.57%0.0686%0.055CC..Hα-helixtrans-65-37178.6179.460.5000112.2Q19 H20 L21 T82 T124 M193 V232 A233L17-Q19 VanDerWaalsContact C-N 3.31Å; L17-Q19 PolarHBondContact O-N 3.17Å; L17-H20 PolarHBondContact O-N 3.39Å; L17-L21 WeakPolarHBondContact O-CB 3.46Å; L17-L21 PolarHBondContact O-N 3.49Å; L17-T82 HydrophobicContact CD2-CG2 4.1Å; L17-T82 HydrophobicContact CG-CG2 4.29Å; L17-T124 HydrophobicContact CD2-CG2 3.6Å; L17-M193 HydrophobicContact CB-CE 4.45Å; L17-M193 HydrophobicContact CB-SD 4.49Å; L17-M193 HydrophobicContact CD1-SD 4.15Å; L17-M193 HydrophobicContact CD2-CE 4.41Å; L17-M193 HydrophobicContact CD2-SD 4.18Å; L17-V232 HydrophobicContact CD1-CB 3.91Å; L17-V232 HydrophobicContact CD1-CG1 3.7Å; L17-V232 HydrophobicContact CD2-CG1 4.1Å; L17-A233 HydrophobicContact CD1-CB 4.35Å
18G98Very high97.7Very high0 Ų011.2 Ų11.20%07%0.065CC..Hα-helixtrans-57.3-42.3177.300000112.9G13 G15 F16 L21 I22G13-G18 CarbonylContact O-C 3.53Å; G15-G18 PolarHBondContact O-N 2.84Å; F16-G18 VanDerWaalsContact C-N 3.33Å; F16-G18 PolarHBondContact O-N 3.41Å; G18-L21 WeakPolarHBondContact O-CB 3.42Å; G18-L21 PolarHBondContact O-N 2.92Å; G18-I22 VanDerWaalsContact O-CG1 3.29Å; G18-I22 WeakPolarHBondContact O-CG1 3.48Å; G18-I22 PolarHBondContact O-N 3.42Å
19Q97.5Very high97.6Very high0 Ų011.5 Ų11.50%07%0.066CC..Hα-helixtrans-65-42.7177.5-66.6-82.5-23.200112.2G15 F16 L17 L21 I22 R23 R45 I47 L48G15-Q19 WeakPolarHBondContact O-CG 3.12Å; G15-Q19 PolarHBondContact O-N 2.94Å; F16-Q19 PolarHBondContact O-N 3.22Å; L17-Q19 VanDerWaalsContact C-N 3.31Å; L17-Q19 PolarHBondContact O-N 3.17Å; Q19-L21 VanDerWaalsContact C-N 3.32Å; Q19-L21 PolarHBondContact O-N 3.03Å; Q19-I22 PolarHBondContact O-N 2.61Å; Q19-R23 PolarHBondContact O-N 2.7Å; Q19-R45 PolarHBondContact NE2-O 3.45Å; Q19-R45 PolarHBondContact OE1-O 2.94Å; Q19-I47 HydrophobicContact CB-CD1 3.98Å; Q19-I47 HydrophobicContact CB-CG1 3.96Å; Q19-I47 HydrophobicContact CG-CD1 3.7Å; Q19-I47 HydrophobicContact CG-CG1 3.81Å; Q19-L48 HydrophobicContact CB-CD1 4.21Å; Q19-L48 HydrophobicContact CB-CG 4.34Å
20H98.3Very high97.3Very high0 Ų013.4 Ų13.40%08%0.082CC..Hα-helixtrans-62.7-40.4173.1-79.6-84.6000111.5F16 L17 R23 E24 L48 E196 Y228 A229 G230 A233F16-H20 AromaticContact CD2-CD2 3.87Å; F16-H20 AromaticContact CE2-CD2 3.61Å; F16-H20 AromaticContact CE2-NE2 3.38Å; F16-H20 WeakPolarHBondContact CE2-NE2 3.31Å; F16-H20 PolarHBondContact O-CD2 2.91Å; F16-H20 PolarHBondContact O-N 3.41Å; L17-H20 PolarHBondContact O-N 3.39Å; H20-R23 PolarHBondContact ND1-NH2 3.24Å; H20-R23 WeakPolarHBondContact O-CB 3.25Å; H20-R23 PolarHBondContact O-N 3.45Å; H20-E24 WeakPolarHBondContact O-CG 2.93Å; H20-E24 PolarHBondContact O-N 3.11Å; H20-L48 HydrophobicContact CB-CD1 4.39Å; H20-E196 IonicContact CE1-OE2 3.67Å; H20-E196 PolarHBondContact NE2-O 3.4Å; H20-E196 VanDerWaalsContact NE2-O 3.09Å; H20-Y228 AromaticContact CE1-CZ 3.81Å; H20-A229 HydrophobicContact CB-CB 4.36Å; H20-A229 VanDerWaalsContact CD2-CB 3.4Å; H20-A229 WeakPolarHBondContact CD2-CB 3.29Å; H20-G230 PolarHBondContact ND1-N 3.42Å; H20-A233 HydrophobicContact CB-CB 3.85Å
21L98.4Very high97.1Very high0 Ų019.1 Ų19.10%011%0.112CC..Hα-helixtrans-63.1-45.1177.2-173.864.5000112.5I10 L17 G18 Q19 R23 E24 I25 F80 T82 A233 H236 L237I10-L21 HydrophobicContact CD1-CD2 3.95Å; I10-L21 HydrophobicContact CD1-CG 4.13Å; I10-L21 HydrophobicContact CG1-CD2 4.04Å; I10-L21 HydrophobicContact CG2-CD2 3.95Å; L17-L21 WeakPolarHBondContact O-CB 3.46Å; L17-L21 PolarHBondContact O-N 3.49Å; G18-L21 WeakPolarHBondContact O-CB 3.42Å; G18-L21 PolarHBondContact O-N 2.92Å; Q19-L21 VanDerWaalsContact C-N 3.32Å; Q19-L21 PolarHBondContact O-N 3.03Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 2.88Å; L21-E24 PolarHBondContact O-N 3.48Å; L21-I25 HydrophobicContact CD1-CD1 4.39Å; L21-I25 HydrophobicContact CG-CD1 3.98Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.32Å; L21-I25 PolarHBondContact O-N 2.84Å; L21-F80 HydrophobicContact CD1-CD1 4.26Å; L21-F80 HydrophobicContact CD1-CE1 4.34Å; L21-F80 HydrophobicContact CD2-CB 3.42Å; L21-F80 VanDerWaalsContact CD2-CB 3.42Å; L21-F80 HydrophobicContact CD2-CD1 3.79Å; L21-F80 HydrophobicContact CD2-CD2 4.12Å; L21-F80 HydrophobicContact CD2-CG 3.53Å; L21-T82 HydrophobicContact CD2-CG2 4.33Å; L21-A233 HydrophobicContact CB-CB 4.26Å; L21-A233 HydrophobicContact CD1-CB 4.35Å; L21-H236 HydrophobicContact CD1-CB 3.78Å; L21-L237 HydrophobicContact CD1-CD2 3.62Å; L21-L237 HydrophobicContact CD1-CG 4.39Å
22I98.4Very high97Very high0 Ų022.5 Ų22.50%013%0.127CC..Hα-helixtrans-60.2-43.4176-66.1162.5000110.5I10 G13 G18 Q19 I25 Q26 I36 V38 F44 Y50 V56I10-I22 HydrophobicContact CD1-CD1 4.4Å; I10-I22 HydrophobicContact CD1-CG1 3.51Å; G13-I22 WeakPolarHBondContact O-CD1 3.42Å; G18-I22 VanDerWaalsContact O-CG1 3.29Å; G18-I22 WeakPolarHBondContact O-CG1 3.48Å; G18-I22 PolarHBondContact O-N 3.42Å; Q19-I22 PolarHBondContact O-N 2.61Å; I22-I25 PolarHBondContact O-N 2.8Å; I22-Q26 HydrophobicContact CG2-CG 4.27Å; I22-Q26 WeakPolarHBondContact O-CB 3.35Å; I22-Q26 WeakPolarHBondContact O-CG 3.29Å; I22-Q26 PolarHBondContact O-N 2.9Å; I22-I36 HydrophobicContact CG1-CG2 4.25Å; I22-I36 HydrophobicContact CG2-CD1 4.19Å; I22-V38 HydrophobicContact CD1-CG2 3.6Å; I22-V38 HydrophobicContact CG1-CG2 4.49Å; I22-F44 HydrophobicContact CD1-CD2 4.16Å; I22-F44 HydrophobicContact CD1-CE2 3.36Å; I22-F44 HydrophobicContact CD1-CZ 3.94Å; I22-Y50 HydrophobicContact CG2-CE2 4.29Å; I22-Y50 VanDerWaalsContact CG2-OH 3.3Å; I22-Y50 WeakPolarHBondContact CG2-OH 3.26Å; I22-V56 HydrophobicContact CG2-CG2 4.28Å
23R97.9Very high97Very high0 Ų022.2 Ų22.20%012%0.124CC..Hα-helixtrans-56.6-51.3174.2177.9-177.676.4-170.45.7111.8Q19 H20 L21 I25 Q26 E27 L48 Y50 E196 Y228Q19-R23 PolarHBondContact O-N 2.7Å; H20-R23 PolarHBondContact ND1-NH2 3.24Å; H20-R23 WeakPolarHBondContact O-CB 3.25Å; H20-R23 PolarHBondContact O-N 3.45Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 2.88Å; R23-I25 VanDerWaalsContact C-N 3.3Å; R23-I25 PolarHBondContact O-N 2.92Å; R23-Q26 PolarHBondContact O-N 3.16Å; R23-E27 HydrophobicContact CG-CG 4.48Å; R23-E27 WeakPolarHBondContact CG-OE1 3.36Å; R23-E27 WeakPolarHBondContact O-CG 3.37Å; R23-E27 PolarHBondContact O-N 3.18Å; R23-L48 HydrophobicContact CB-CD1 4.27Å; R23-Y50 HydrophobicContact CB-CD1 3.55Å; R23-Y50 HydrophobicContact CB-CE1 3.95Å; R23-Y50 HydrophobicContact CB-CG 4.08Å; R23-Y50 HydrophobicContact CG-CD1 3.72Å; R23-Y50 HydrophobicContact CG-CG 3.95Å; R23-E196 IonicContact NH1-OE1 2.7Å; R23-Y228 PolarHBondContact NH1-OH 3.21Å; R23-Y228 PolarHBondContact NH2-OH 2.9Å
24E98Very high97.1Very high0 Ų026.5 Ų26.50%015%0.147CC..Hα-helixtrans-62.3-38-179.4-61.6-50.3131.500111.7H20 L21 E27 L28 A233 L237 K347 Y348H20-E24 WeakPolarHBondContact O-CG 2.93Å; H20-E24 PolarHBondContact O-N 3.11Å; L21-E24 PolarHBondContact O-N 3.48Å; E24-E27 PolarHBondContact O-N 2.58Å; E24-L28 VanDerWaalsContact O-CB 3.26Å; E24-L28 WeakPolarHBondContact O-CB 3.44Å; E24-L28 WeakPolarHBondContact O-CG 3.05Å; E24-L28 PolarHBondContact O-N 3.28Å; E24-A233 HydrophobicContact CG-CB 3.66Å; E24-L237 HydrophobicContact CB-CD1 3.71Å; E24-L237 HydrophobicContact CB-CG 4.31Å; E24-K347 IonicContact OE1-NZ 2.68Å; E24-K347 WeakPolarHBondContact OE2-CD 3.31Å; E24-K347 IonicContact OE2-NZ 3Å; E24-K347 PolarHBondContact OE2-NZ 2.94Å; E24-Y348 VanDerWaalsContact OE1-CE2 3.28Å; E24-Y348 WeakPolarHBondContact OE1-CE2 3.44Å; E24-Y348 PolarHBondContact OE1-OH 3.4Å; E24-Y348 PolarHBondContact OE2-OH 2.95Å
25I98.4Very high97.1Very high0 Ų026.1 Ų26.10%014%0.142CC..Hα-helixtrans-64.9-45.7176.8-67.1165.6000110.7V8 I10 L21 I22 R23 E27 W29 V33 I36 I54 F80 L237V8-I25 HydrophobicContact CG1-CD1 4.05Å; I10-I25 HydrophobicContact CD1-CD1 3.77Å; L21-I25 HydrophobicContact CD1-CD1 4.39Å; L21-I25 HydrophobicContact CG-CD1 3.98Å; L21-I25 VanDerWaalsContact O-CG1 3.28Å; L21-I25 WeakPolarHBondContact O-CG1 3.32Å; L21-I25 PolarHBondContact O-N 2.84Å; I22-I25 PolarHBondContact O-N 2.8Å; R23-I25 VanDerWaalsContact C-N 3.3Å; R23-I25 PolarHBondContact O-N 2.92Å; I25-E27 VanDerWaalsContact C-N 3.3Å; I25-E27 PolarHBondContact O-N 3.08Å; I25-W29 HydrophobicContact CG1-CE3 4Å; I25-W29 HydrophobicContact CG2-CB 4.11Å; I25-W29 HydrophobicContact CG2-CE3 4.22Å; I25-W29 WeakPolarHBondContact O-CA 3.47Å; I25-W29 WeakPolarHBondContact O-CB 3.42Å; I25-W29 PolarHBondContact O-N 2.96Å; I25-V33 HydrophobicContact CG2-CB 4.41Å; I25-V33 HydrophobicContact CG2-CG1 4.4Å; I25-V33 HydrophobicContact CG2-CG2 4.07Å; I25-I36 HydrophobicContact CB-CD1 4.1Å; I25-I36 HydrophobicContact CG2-CD1 3.59Å; I25-I36 HydrophobicContact CG2-CG1 3.94Å; I25-I54 HydrophobicContact CG2-CD1 3.75Å; I25-F80 HydrophobicContact CD1-CE2 4.42Å; I25-L237 HydrophobicContact CD1-CD2 4.29Å; I25-L237 HydrophobicContact CG1-CD1 4.2Å; I25-L237 HydrophobicContact CG1-CD2 3.63Å
26Q98Very high97.3Very high5 Ų525.1 Ų25.12%0.02313%0.132CC..Hα-helixtrans-59.9-40.6177.1-70.2-791700112.1I22 R23 I36 Y50 I54I22-Q26 HydrophobicContact CG2-CG 4.27Å; I22-Q26 WeakPolarHBondContact O-CB 3.35Å; I22-Q26 WeakPolarHBondContact O-CG 3.29Å; I22-Q26 PolarHBondContact O-N 2.9Å; R23-Q26 PolarHBondContact O-N 3.16Å; Q26-I36 HydrophobicContact CG-CD1 4.25Å; Q26-Y50 HydrophobicContact CB-CD2 3.98Å; Q26-Y50 HydrophobicContact CB-CE2 4.32Å; Q26-Y50 HydrophobicContact CG-CD2 3.91Å; Q26-Y50 HydrophobicContact CG-CE2 3.73Å; Q26-I54 PolarHBondContact NE2-O 3.25Å
27E96.5Very high97.3Very high87 Ų8725.7 Ų25.741%0.40713%0.134SC..Hα-helixtrans-77.8-36.8-178.4-71.7179-171.600113.8R23 E24 I25 K347 Y348R23-E27 HydrophobicContact CG-CG 4.48Å; R23-E27 WeakPolarHBondContact CG-OE1 3.36Å; R23-E27 WeakPolarHBondContact O-CG 3.37Å; R23-E27 PolarHBondContact O-N 3.18Å; E24-E27 PolarHBondContact O-N 2.58Å; I25-E27 VanDerWaalsContact C-N 3.3Å; I25-E27 PolarHBondContact O-N 3.08Å; E27-K347 IonicContact OE2-NZ 3.71Å; E27-K347 PolarHBondContact OE2-NZ 2.97Å; E27-Y348 PolarHBondContact OE2-OH 3.32Å
28L96.7Very high97.3Very high68 Ų6825.1 Ų25.136%0.35613%0.131SC..Hα-helixtrans-113.3-18.4-165.9-58.4177.7000114.5E24 Y234 L237 K347E24-L28 VanDerWaalsContact O-CB 3.26Å; E24-L28 WeakPolarHBondContact O-CB 3.44Å; E24-L28 WeakPolarHBondContact O-CG 3.05Å; E24-L28 PolarHBondContact O-N 3.28Å; L28-Y234 HydrophobicContact CD1-CD2 3.72Å; L28-Y234 HydrophobicContact CD1-CE2 3.88Å; L28-L237 HydrophobicContact CB-CD1 4.4Å; L28-L237 HydrophobicContact CD1-CD1 4.36Å; L28-K347 HydrophobicContact CD1-CD 4.4Å
29W96.9Very high97.3Very high5 Ų525.1 Ų25.12%0.01913%0.131CC..  trans-122.519.5-170.7-78.18.3000113.6V8 I25 D31 K32 V33 F80 L237 A240 D241V8-W29 HydrophobicContact CG2-CZ3 4.3Å; I25-W29 HydrophobicContact CG1-CE3 4Å; I25-W29 HydrophobicContact CG2-CB 4.11Å; I25-W29 HydrophobicContact CG2-CE3 4.22Å; I25-W29 WeakPolarHBondContact O-CA 3.47Å; I25-W29 WeakPolarHBondContact O-CB 3.42Å; I25-W29 PolarHBondContact O-N 2.96Å; W29-D31 PolarHBondContact O-N 2.62Å; W29-D31 VanDerWaalsContact O-N 3.16Å; W29-K32 HydrophobicContact CB-CB 4.33Å; W29-K32 HydrophobicContact CG-CD 4.15Å; W29-K32 PolarHBondContact O-N 3.19Å; W29-V33 HydrophobicContact CB-CG2 3.94Å; W29-V33 HydrophobicContact CD2-CG2 4.36Å; W29-V33 HydrophobicContact CE3-CG2 3.62Å; W29-V33 HydrophobicContact CZ3-CG2 4.39Å; W29-V33 PolarHBondContact O-N 3.13Å; W29-F80 HydrophobicContact CH2-CE2 4.36Å; W29-F80 AromaticContact CH2-CZ 3.71Å; W29-F80 HydrophobicContact CH2-CZ 3.71Å; W29-F80 AromaticContact CZ3-CE2 3.99Å; W29-F80 HydrophobicContact CZ3-CE2 3.99Å; W29-F80 AromaticContact CZ3-CZ 3.77Å; W29-F80 HydrophobicContact CZ3-CZ 3.77Å; W29-L237 HydrophobicContact CD2-CD1 4.08Å; W29-L237 HydrophobicContact CD2-CD2 4.22Å; W29-L237 HydrophobicContact CE3-CD2 4.11Å; W29-L237 HydrophobicContact CG-CD1 4.24Å; W29-L237 HydrophobicContact CH2-CD2 3.93Å; W29-L237 HydrophobicContact CZ2-CB 3.77Å; W29-L237 HydrophobicContact CZ2-CD2 3.96Å; W29-L237 HydrophobicContact CZ2-CG 4.3Å; W29-L237 WeakPolarHBondContact CZ2-O 3.16Å; W29-L237 HydrophobicContact CZ3-CD2 3.98Å; W29-A240 HydrophobicContact CH2-CB 3.49Å; W29-A240 VanDerWaalsContact CH2-CB 3.49Å; W29-A240 HydrophobicContact CZ2-CB 3.97Å; W29-D241 PolarHBondContact NE1-OD2 3.03Å
30A93.4Very high97.3Very high41 Ų4126.4 Ų26.434%0.33914%0.138SC..THydrogen-bonded Turntrans-57.4-29.2179.800000114.3K5K5-A30 PolarHBondContact NZ-O 3.43Å
31D94.1Very high97.1Very high119 Ų11931.6 Ų31.664%0.63616%0.16SC*.THydrogen-bonded Turntrans-86-18.6175.864-37.4000113.5K5 W29K5-D31 WeakPolarHBondContact CE-O 3.45Å; W29-D31 PolarHBondContact O-N 2.62Å; W29-D31 VanDerWaalsContact O-N 3.16Å
32K95.4Very high96.9Very high72 Ų7238.4 Ų38.431%0.31319%0.19SC..THydrogen-bonded Turntrans-100.3-29.8-175.3-62.6-179.8-178.5-176.90114.3K5 D6 W29 D241K5-K32 CarbonylContact C-O 3.49Å; K5-K32 VanDerWaalsContact CA-O 3.25Å; K5-K32 WeakPolarHBondContact CA-O 3.31Å; K5-K32 WeakPolarHBondContact CB-O 3.42Å; D6-K32 PolarHBondContact N-O 2.77Å; W29-K32 HydrophobicContact CB-CB 4.33Å; W29-K32 HydrophobicContact CG-CD 4.15Å; W29-K32 PolarHBondContact O-N 3.19Å; K32-D241 IonicContact NZ-OD1 3.19Å; K32-D241 PolarHBondContact NZ-OD1 3.15Å; K32-D241 IonicContact NZ-OD2 3.88Å; K32-D241 PolarHBondContact NZ-OD2 3.02Å
33V97.8Very high96.7Very high2 Ų241.3 Ų41.31%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-110.4136.7-172176.60000110.8D6 V8 I25 W29 E35 I36 I54D6-V33 HydrophobicContact CB-CG2 4.25Å; D6-V33 CarbonylContact O-C 3.6Å; D6-V33 WeakPolarHBondContact O-CA 3.22Å; D6-V33 WeakPolarHBondContact O-CG1 3.46Å; V8-V33 HydrophobicContact CB-CG1 4.37Å; V8-V33 HydrophobicContact CG2-CB 4.47Å; V8-V33 HydrophobicContact CG2-CG1 3.9Å; V8-V33 HydrophobicContact CG2-CG2 3.65Å; I25-V33 HydrophobicContact CG2-CB 4.41Å; I25-V33 HydrophobicContact CG2-CG1 4.4Å; I25-V33 HydrophobicContact CG2-CG2 4.07Å; W29-V33 HydrophobicContact CB-CG2 3.94Å; W29-V33 HydrophobicContact CD2-CG2 4.36Å; W29-V33 HydrophobicContact CE3-CG2 3.62Å; W29-V33 HydrophobicContact CZ3-CG2 4.39Å; W29-V33 PolarHBondContact O-N 3.13Å; V33-E35 WeakPolarHBondContact CG1-O 3.17Å; V33-I36 HydrophobicContact CG1-CG1 4.18Å; V33-I54 HydrophobicContact CB-CD1 3.97Å; V33-I54 HydrophobicContact CB-CG2 4.48Å; V33-I54 HydrophobicContact CG1-CD1 4.23Å; V33-I54 HydrophobicContact CG1-CG2 3.79Å
34D97.3Very high96.7Very high90 Ų9042.9 Ų42.948%0.48122%0.216SC..EExtended strand (participates in β ladder)trans-89.2-45.2176.5-16250.4000111.3K5 D6 P55K5-D34 HydrophobicContact CB-CB 3.77Å; K5-D34 HydrophobicContact CD-CB 4.37Å; D6-D34 PolarHBondContact O-N 3.37Å; D34-P55 VanDerWaalsContact O-CD 3.25Å; D34-P55 WeakPolarHBondContact O-CD 3.49Å; D34-P55 WeakPolarHBondContact O-CG 3.48Å
35E97.8Very high96.5Very high13 Ų1351.9 Ų51.96%0.06125%0.25CC..EExtended strand (participates in β ladder)trans-151.6153.7177.865.4-179.1-163.600112.3I7 V8 V33 R37 P55 K57I7-E35 HydrophobicContact CB-CG 4.35Å; I7-E35 HydrophobicContact CG1-CG 4.04Å; I7-E35 HydrophobicContact CG2-CG 3.91Å; V8-E35 PolarHBondContact N-O 3.01Å; V8-E35 VanDerWaalsContact N-O 3.08Å; V33-E35 WeakPolarHBondContact CG1-O 3.17Å; E35-R37 IonicContact OE1-CZ 2.88Å; E35-R37 IonicContact OE1-NE 2.61Å; E35-R37 PolarHBondContact OE1-NE 3.27Å; E35-R37 IonicContact OE1-NH2 2.84Å; E35-R37 PolarHBondContact OE1-NH2 3.3Å; E35-P55 HydrophobicContact CB-CG 3.96Å; E35-K57 IonicContact OE1-NZ 2.64Å; E35-K57 WeakPolarHBondContact OE2-CD 3.38Å; E35-K57 WeakPolarHBondContact OE2-CE 3.47Å; E35-K57 IonicContact OE2-NZ 2.58Å; E35-K57 PolarHBondContact OE2-NZ 2.92Å
36I98.6Very high96.4Very high0 Ų055.4 Ų55.40%027%0.265CS..EExtended strand (participates in β ladder)trans-110.3125.5173.9-57.6166.1000108.1V8 I10 I22 I25 Q26 V33 V38 I54 P55 V56 K57V8-I36 CarbonylContact O-C 3.54Å; I10-I36 HydrophobicContact CD1-CG2 3.71Å; I10-I36 HydrophobicContact CG1-CG2 4.34Å; I22-I36 HydrophobicContact CG1-CG2 4.25Å; I22-I36 HydrophobicContact CG2-CD1 4.19Å; I25-I36 HydrophobicContact CB-CD1 4.1Å; I25-I36 HydrophobicContact CG2-CD1 3.59Å; I25-I36 HydrophobicContact CG2-CG1 3.94Å; Q26-I36 HydrophobicContact CG-CD1 4.25Å; V33-I36 HydrophobicContact CG1-CG1 4.18Å; I36-V38 HydrophobicContact CG2-CG2 4.45Å; I36-I54 HydrophobicContact CD1-CB 4.25Å; I36-I54 HydrophobicContact CD1-CD1 4.37Å; I36-I54 HydrophobicContact CD1-CG2 4.12Å; I36-I54 HydrophobicContact CG1-CG2 3.84Å; I36-P55 PolarHBondContact N-O 3.22Å; I36-V56 HydrophobicContact CB-CG2 4.32Å; I36-V56 HydrophobicContact CD1-CG2 4.36Å; I36-V56 CarbonylContact O-C 3.59Å; I36-V56 VanDerWaalsContact O-CA 3.31Å; I36-V56 WeakPolarHBondContact O-CA 3.39Å; I36-K57 PolarHBondContact O-N 3.16Å
37R98.4Very high96.1Very high24 Ų2458.3 Ų58.39%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-108.6120.6176-59.4-179-177174.11.6109.7I7 V8 V9 I10 E35 K57 F59 P72 T74I7-R37 HydrophobicContact CG2-CG 4.47Å; I7-R37 VanDerWaalsContact CG2-CZ 3.49Å; V8-R37 PolarHBondContact O-N 3.4Å; V9-R37 CarbonylContact C-O 3.12Å; V9-R37 WeakPolarHBondContact CA-O 3.29Å; V9-R37 HydrophobicContact CG2-CB 4.11Å; I10-R37 PolarHBondContact N-O 2.68Å; E35-R37 IonicContact OE1-CZ 2.88Å; E35-R37 IonicContact OE1-NE 2.61Å; E35-R37 PolarHBondContact OE1-NE 3.27Å; E35-R37 IonicContact OE1-NH2 2.84Å; E35-R37 PolarHBondContact OE1-NH2 3.3Å; R37-K57 CarbonylContact C-O 3.58Å; R37-K57 WeakPolarHBondContact CA-O 3.47Å; R37-K57 HydrophobicContact CG-CB 4.48Å; R37-F59 HydrophobicContact CB-CD2 4.22Å; R37-F59 HydrophobicContact CB-CE2 3.91Å; R37-F59 HydrophobicContact CG-CE2 3.92Å; R37-P72 WeakPolarHBondContact CD-O 3.41Å; R37-P72 PolarHBondContact NH1-O 2.83Å; R37-T74 PolarHBondContact NH1-O 2.96Å; R37-T74 PolarHBondContact NH2-O 3.42Å
38V98.2Very high96Very high2 Ų254.5 Ų54.51%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-99.7121.8179.1170.30000109.1I22 I36 D40 F44 V56 K57 F59I22-V38 HydrophobicContact CD1-CG2 3.6Å; I22-V38 HydrophobicContact CG1-CG2 4.49Å; I36-V38 HydrophobicContact CG2-CG2 4.45Å; V38-D40 HydrophobicContact CG1-CB 4.42Å; V38-F44 HydrophobicContact CG1-CB 4.42Å; V38-F44 HydrophobicContact CG1-CD2 4.22Å; V38-F44 HydrophobicContact CG2-CD2 4.18Å; V38-V56 HydrophobicContact CG2-CG1 3.86Å; V38-K57 PolarHBondContact N-O 2.88Å; V38-F59 PolarHBondContact O-N 3.23Å
39I97.7Very high95.9Very high0 Ų058 Ų580%028%0.281CS..EExtended strand (participates in β ladder)trans-106.8118.4170.5-54.1177.5000108V9 I10 T11 G12 F59 A61 I63 I69 P72V9-I39 HydrophobicContact CG1-CD1 3.54Å; V9-I39 HydrophobicContact CG1-CG1 3.98Å; I10-I39 PolarHBondContact O-N 2.82Å; T11-I39 CarbonylContact C-O 3.58Å; T11-I39 WeakPolarHBondContact CA-O 3.39Å; T11-I39 HydrophobicContact CG2-CD1 4.42Å; G12-I39 PolarHBondContact N-O 2.94Å; I39-F59 WeakPolarHBondContact CA-O 3.35Å; I39-F59 HydrophobicContact CG1-CB 4.47Å; I39-A61 HydrophobicContact CG2-CB 4.08Å; I39-I63 HydrophobicContact CG2-CG1 4.36Å; I39-I69 HydrophobicContact CG2-CG2 4.25Å; I39-P72 HydrophobicContact CD1-CB 3.69Å; I39-P72 HydrophobicContact CD1-CG 3.49Å; I39-P72 VanDerWaalsContact CD1-CG 3.49Å; I39-P72 HydrophobicContact CG1-CB 3.74Å; I39-P72 HydrophobicContact CG1-CG 3.8Å
40D96.8Very high95.7Very high27 Ų2758.2 Ų58.214%0.14428%0.282CS..EExtended strand (participates in β ladder)trans-156.1160.1176.5-156.6-63.6000110.9G12 S14 V38 K42 F59 I60 A61G12-D40 VanDerWaalsContact CA-OD2 3.24Å; G12-D40 WeakPolarHBondContact CA-OD2 3.45Å; S14-D40 VanDerWaalsContact CB-CG 3.5Å; S14-D40 WeakPolarHBondContact CB-OD2 3.45Å; S14-D40 PolarHBondContact N-OD2 3.23Å; S14-D40 WeakPolarHBondContact OG-CB 3.31Å; V38-D40 HydrophobicContact CG1-CB 4.42Å; D40-K42 PolarHBondContact O-N 3.45Å; D40-K42 PolarHBondContact OD1-N 3.39Å; D40-F59 PolarHBondContact N-O 2.86Å; D40-I60 VanDerWaalsContact O-CA 3.26Å; D40-I60 WeakPolarHBondContact O-CA 3.42Å; D40-A61 CarbonylContact C-O 3.58Å; D40-A61 PolarHBondContact O-N 2.85Å
41K94.3Very high95.8Very high109 Ų10963.1 Ų63.147%0.47430%0.303SS..SBendtrans-76.2-15.8172.9-60.3-167.4-71.5-158.60112.5D62K41-D62 HydrophobicContact CD-CB 3.88Å; K41-D62 VanDerWaalsContact CD-CG 3.49Å; K41-D62 WeakPolarHBondContact CD-OD2 3.41Å; K41-D62 HydrophobicContact CG-CB 4.22Å; K41-D62 IonicContact NZ-OD2 2.69Å; K41-D62 PolarHBondContact NZ-OD2 3.13Å; K41-D62 VanDerWaalsContact NZ-OD2 3.15Å
42K93.6Very high95.8Very high143 Ų14362.8 Ų62.862%0.62230%0.298SS*.SBendtrans-110.9141.6179.9-61.3177.7-175.9176.70109.9S14 D40S14-K42 PolarHBondContact OG-O 2.94Å; D40-K42 PolarHBondContact O-N 3.45Å; D40-K42 PolarHBondContact OD1-N 3.39Å
43P95.9Very high95.8Very high61 Ų6163.1 Ų63.140%0.39631%0.309SS..  trans-57.2145.2175.425.8-35000110.9R45 I60P43-R45 PolarHBondContact O-N 3.17Å; P43-I60 HydrophobicContact CB-CD1 4.26Å
44F96.4Very high95.8Very high33 Ų3363.3 Ų63.315%0.14531%0.31CS..  trans-72.1125.5-180178.3-103.3000109.6S14 I22 V38 K46 V56 E58S14-F44 WeakPolarHBondContact OG-CA 3.26Å; I22-F44 HydrophobicContact CD1-CD2 4.16Å; I22-F44 HydrophobicContact CD1-CE2 3.36Å; I22-F44 HydrophobicContact CD1-CZ 3.94Å; V38-F44 HydrophobicContact CG1-CB 4.42Å; V38-F44 HydrophobicContact CG1-CD2 4.22Å; V38-F44 HydrophobicContact CG2-CD2 4.18Å; F44-K46 HydrophobicContact CE1-CB 4.22Å; F44-K46 HydrophobicContact CZ-CB 4.33Å; F44-V56 HydrophobicContact CD1-CG1 4.19Å; F44-V56 HydrophobicContact CE1-CG1 4.13Å; F44-E58 HydrophobicContact CB-CB 4.1Å; F44-E58 PolarHBondContact N-OE2 3.44Å
45R94.7Very high95.8Very high188 Ų18862.6 Ų62.671%0.70931%0.31SS*.  trans-130.9117.8171.9-65.3-175.6-179.2-179.40.3108Q19 P43 I47Q19-R45 PolarHBondContact NE2-O 3.45Å; Q19-R45 PolarHBondContact OE1-O 2.94Å; P43-R45 PolarHBondContact O-N 3.17Å; R45-I47 WeakPolarHBondContact O-CG2 3.48Å; R45-I47 PolarHBondContact O-N 3.36Å
46K95Very high95.8Very high75 Ų7564 Ų6433%0.32632%0.319SS..  trans-63.8114.3177.6179.3177.8178.2-169.60109.8F44 L48 Y50 E52F44-K46 HydrophobicContact CE1-CB 4.22Å; F44-K46 HydrophobicContact CZ-CB 4.33Å; K46-L48 WeakPolarHBondContact CE-O 3.31Å; K46-L48 WeakPolarHBondContact CG-O 3.34Å; K46-Y50 HydrophobicContact CD-CE1 4.3Å; K46-Y50 HydrophobicContact CD-CE2 4.2Å; K46-Y50 WeakPolarHBondContact CE-O 3.38Å; K46-Y50 HydrophobicContact CG-CE1 3.99Å; K46-Y50 PolarHBondContact NZ-O 3.14Å; K46-E52 VanDerWaalsContact NZ-CD 3.34Å; K46-E52 IonicContact NZ-OE2 2.7Å; K46-E52 PolarHBondContact NZ-OE2 3.05Å
47I92.7Very high95.8Very high66 Ų6668.6 Ų68.634%0.33834%0.339SS..  trans-101.4-20179.469.4-176.5000113.1Q19 R45Q19-I47 HydrophobicContact CB-CD1 3.98Å; Q19-I47 HydrophobicContact CB-CG1 3.96Å; Q19-I47 HydrophobicContact CG-CD1 3.7Å; Q19-I47 HydrophobicContact CG-CG1 3.81Å; R45-I47 WeakPolarHBondContact O-CG2 3.48Å; R45-I47 PolarHBondContact O-N 3.36Å
48L95.2Very high95.7Very high7 Ų772.4 Ų72.44%0.03736%0.358CS..SBendtrans-102.3144.4-178.8-56.1-176.5000110.5Q19 H20 R23 K46 Y50 E196Q19-L48 HydrophobicContact CB-CD1 4.21Å; Q19-L48 HydrophobicContact CB-CG 4.34Å; H20-L48 HydrophobicContact CB-CD1 4.39Å; R23-L48 HydrophobicContact CB-CD1 4.27Å; K46-L48 WeakPolarHBondContact CE-O 3.31Å; K46-L48 WeakPolarHBondContact CG-O 3.34Å; L48-Y50 HydrophobicContact CB-CD1 3.86Å; L48-Y50 HydrophobicContact CB-CE1 3.98Å; L48-Y50 WeakPolarHBondContact O-CD1 3.28Å; L48-E196 HydrophobicContact CD2-CB 3.45Å; L48-E196 VanDerWaalsContact CD2-CB 3.45Å; L48-E196 HydrophobicContact CD2-CG 4.44Å
49N93.2Very high95.7Very high141 Ų14174 Ų7475%0.75437%0.365SS*.  trans-82.8117.8173.3-169.820.6000110.4
50Y94.2Very high95.6Very high10 Ų1079.1 Ų79.14%0.03939%0.391CS..  trans-159.2159174.656.3-99.3000110.6I22 R23 Q26 K46 L48 E52I22-Y50 HydrophobicContact CG2-CE2 4.29Å; I22-Y50 VanDerWaalsContact CG2-OH 3.3Å; I22-Y50 WeakPolarHBondContact CG2-OH 3.26Å; R23-Y50 HydrophobicContact CB-CD1 3.55Å; R23-Y50 HydrophobicContact CB-CE1 3.95Å; R23-Y50 HydrophobicContact CB-CG 4.08Å; R23-Y50 HydrophobicContact CG-CD1 3.72Å; R23-Y50 HydrophobicContact CG-CG 3.95Å; Q26-Y50 HydrophobicContact CB-CD2 3.98Å; Q26-Y50 HydrophobicContact CB-CE2 4.32Å; Q26-Y50 HydrophobicContact CG-CD2 3.91Å; Q26-Y50 HydrophobicContact CG-CE2 3.73Å; K46-Y50 HydrophobicContact CD-CE1 4.3Å; K46-Y50 HydrophobicContact CD-CE2 4.2Å; K46-Y50 WeakPolarHBondContact CE-O 3.38Å; K46-Y50 HydrophobicContact CG-CE1 3.99Å; K46-Y50 PolarHBondContact NZ-O 3.14Å; L48-Y50 HydrophobicContact CB-CD1 3.86Å; L48-Y50 HydrophobicContact CB-CE1 3.98Å; L48-Y50 WeakPolarHBondContact O-CD1 3.28Å; Y50-E52 HydrophobicContact CD2-CG 4.08Å; Y50-E52 HydrophobicContact CE2-CG 3.69Å
51N94.5Very high95.5Very high144 Ų14478.1 Ų78.177%0.7739%0.387SS*.  trans-77.4137.7175.8-66.7-28.7000110.4
52E94.7Very high95.4Very high112 Ų11274.8 Ų74.852%0.52337%0.374SS..  trans-102.5106.2179.1-73.5165.9114.600109.5K46 Y50K46-E52 VanDerWaalsContact NZ-CD 3.34Å; K46-E52 IonicContact NZ-OE2 2.7Å; K46-E52 PolarHBondContact NZ-OE2 3.05Å; Y50-E52 HydrophobicContact CD2-CG 4.08Å; Y50-E52 HydrophobicContact CE2-CG 3.69Å
53S95.4Very high95.2Very high79 Ų7968.5 Ų68.555%0.55235%0.347SS*.  trans-108.8-19.917450.80000113
54I97.7Very high94.8Very high6 Ų667.7 Ų67.73%0.03134%0.341CS..SBendtrans-108.3130.2179.4-54.6161.4000108.1I25 Q26 V33 I36 V56I25-I54 HydrophobicContact CG2-CD1 3.75Å; Q26-I54 PolarHBondContact NE2-O 3.25Å; V33-I54 HydrophobicContact CB-CD1 3.97Å; V33-I54 HydrophobicContact CB-CG2 4.48Å; V33-I54 HydrophobicContact CG1-CD1 4.23Å; V33-I54 HydrophobicContact CG1-CG2 3.79Å; I36-I54 HydrophobicContact CD1-CB 4.25Å; I36-I54 HydrophobicContact CD1-CD1 4.37Å; I36-I54 HydrophobicContact CD1-CG2 4.12Å; I36-I54 HydrophobicContact CG1-CG2 3.84Å; I54-V56 PolarHBondContact O-N 3.01Å
55P97.4Very high94.2Very high75 Ų7571.2 Ų71.249%0.48736%0.358SS..  trans-62.2133.8175.525.1-34000111.6D34 E35 I36D34-P55 VanDerWaalsContact O-CD 3.25Å; D34-P55 WeakPolarHBondContact O-CD 3.49Å; D34-P55 WeakPolarHBondContact O-CG 3.48Å; E35-P55 HydrophobicContact CB-CG 3.96Å; I36-P55 PolarHBondContact N-O 3.22Å
56V97.9Very high93.2Very high41 Ų4165.9 Ų65.925%0.24834%0.341CS..EExtended strand (participates in β ladder)trans-103.2123.4172.1-176.90000108.9I22 I36 V38 F44 I54I22-V56 HydrophobicContact CG2-CG2 4.28Å; I36-V56 HydrophobicContact CB-CG2 4.32Å; I36-V56 HydrophobicContact CD1-CG2 4.36Å; I36-V56 CarbonylContact O-C 3.59Å; I36-V56 VanDerWaalsContact O-CA 3.31Å; I36-V56 WeakPolarHBondContact O-CA 3.39Å; V38-V56 HydrophobicContact CG2-CG1 3.86Å; F44-V56 HydrophobicContact CD1-CG1 4.19Å; F44-V56 HydrophobicContact CE1-CG1 4.13Å; I54-V56 PolarHBondContact O-N 3.01Å
57K97.7Very high92.3Very high97 Ų9769 Ų6942%0.42236%0.361SS..EExtended strand (participates in β ladder)trans-108.2126.1174-68-179.5176.1170.30109.4E35 I36 R37 V38 F59E35-K57 IonicContact OE1-NZ 2.64Å; E35-K57 WeakPolarHBondContact OE2-CD 3.38Å; E35-K57 WeakPolarHBondContact OE2-CE 3.47Å; E35-K57 IonicContact OE2-NZ 2.58Å; E35-K57 PolarHBondContact OE2-NZ 2.92Å; I36-K57 PolarHBondContact O-N 3.16Å; R37-K57 CarbonylContact C-O 3.58Å; R37-K57 WeakPolarHBondContact CA-O 3.47Å; R37-K57 HydrophobicContact CG-CB 4.48Å; V38-K57 PolarHBondContact N-O 2.88Å; K57-F59 HydrophobicContact CB-CE2 3.77Å; K57-F59 HydrophobicContact CB-CZ 4.4Å
58E97Very high91.9Very high104 Ų10470.7 Ų70.749%0.48637%0.368SS..EExtended strand (participates in β ladder)trans-93.9142.1177.766.9175.3-178.100111.9F44F44-E58 HydrophobicContact CB-CB 4.1Å; F44-E58 PolarHBondContact N-OE2 3.44Å
59F97Very high91.8Very high35 Ų3570.3 Ų70.315%0.15437%0.366CS..EExtended strand (participates in β ladder)trans-133.7112.8174.2-63.5-93.5000107.8R37 V38 I39 D40 K57 A61 E71 P72R37-F59 HydrophobicContact CB-CD2 4.22Å; R37-F59 HydrophobicContact CB-CE2 3.91Å; R37-F59 HydrophobicContact CG-CE2 3.92Å; V38-F59 PolarHBondContact O-N 3.23Å; I39-F59 WeakPolarHBondContact CA-O 3.35Å; I39-F59 HydrophobicContact CG1-CB 4.47Å; D40-F59 PolarHBondContact N-O 2.86Å; K57-F59 HydrophobicContact CB-CE2 3.77Å; K57-F59 HydrophobicContact CB-CZ 4.4Å; F59-A61 PolarHBondContact O-N 2.9Å; F59-E71 HydrophobicContact CE1-CB 4.44Å; F59-E71 HydrophobicContact CE1-CG 3.84Å; F59-P72 HydrophobicContact CB-CB 4.14Å; F59-P72 HydrophobicContact CB-CG 4.22Å; F59-P72 HydrophobicContact CD1-CB 3.93Å; F59-P72 HydrophobicContact CD1-CG 4.21Å; F59-P72 HydrophobicContact CD2-CB 3.68Å; F59-P72 HydrophobicContact CE1-CB 4.23Å; F59-P72 HydrophobicContact CE2-CB 4Å; F59-P72 HydrophobicContact CG-CB 3.64Å; F59-P72 HydrophobicContact CG-CG 4.1Å; F59-P72 HydrophobicContact CZ-CB 4.25Å
60I96.1Very high91.8Very high108 Ų10865.6 Ų65.655%0.55434%0.34SS*.EExtended strand (participates in β ladder)trans-86.2107.2178.9-58.1177.2000108D40 P43D40-I60 VanDerWaalsContact O-CA 3.26Å; D40-I60 WeakPolarHBondContact O-CA 3.42Å; P43-I60 HydrophobicContact CB-CD1 4.26Å
61A94.5Very high91.8Very high6 Ų672 Ų725%0.0537%0.371CS..  trans-154.5150.4-175.900000111.9I39 D40 F59 E68 I69I39-A61 HydrophobicContact CG2-CB 4.08Å; D40-A61 CarbonylContact C-O 3.58Å; D40-A61 PolarHBondContact O-N 2.85Å; F59-A61 PolarHBondContact O-N 2.9Å; A61-E68 VanDerWaalsContact CA-OE2 3.28Å; A61-E68 WeakPolarHBondContact CA-OE2 3.25Å; A61-E68 HydrophobicContact CB-CB 3.59Å; A61-I69 HydrophobicContact CB-CG2 4.33Å
62D91.9Very high91.8Very high39 Ų3965.1 Ų65.121%0.20933%0.334CS..  trans-93.1125163.9-161.2-22.9000109.5K41 V64 E65 E68K41-D62 HydrophobicContact CD-CB 3.88Å; K41-D62 VanDerWaalsContact CD-CG 3.49Å; K41-D62 WeakPolarHBondContact CD-OD2 3.41Å; K41-D62 HydrophobicContact CG-CB 4.22Å; K41-D62 IonicContact NZ-OD2 2.69Å; K41-D62 PolarHBondContact NZ-OD2 3.13Å; K41-D62 VanDerWaalsContact NZ-OD2 3.15Å; D62-V64 PolarHBondContact O-N 2.84Å; D62-V64 VanDerWaalsContact O-N 3.11Å; D62-V64 WeakPolarHBondContact OD1-CG2 3.46Å; D62-V64 PolarHBondContact OD1-N 2.86Å; D62-E65 HydrophobicContact CB-CG 4.27Å; D62-E65 PolarHBondContact O-N 3.43Å; D62-E68 PolarHBondContact N-OE2 2.64Å
63I90.3Very high92Very high12 Ų1259.8 Ų59.86%0.06231%0.309CS..THydrogen-bonded Turntrans-63.5-21-179.4-57.4163.5000111.5T11 I39 E65 I69 A83 A105 Q108 L109T11-I63 HydrophobicContact CG2-CD1 3.89Å; T11-I63 HydrophobicContact CG2-CG1 4.5Å; I39-I63 HydrophobicContact CG2-CG1 4.36Å; I63-E65 PolarHBondContact O-N 3.44Å; I63-I69 HydrophobicContact CG2-CD1 4.46Å; I63-A83 HydrophobicContact CD1-CB 3.35Å; I63-A105 HydrophobicContact CB-CB 4.29Å; I63-A105 HydrophobicContact CG2-CB 4.05Å; I63-A105 WeakPolarHBondContact CG2-O 2.99Å; I63-Q108 WeakPolarHBondContact O-CG 3.43Å; I63-L109 HydrophobicContact CG2-CB 4.01Å
64V88Confident92Very high43 Ų4359.7 Ų59.726%0.26131%0.305SS..THydrogen-bonded Turntrans-65.4-30.1173.6-179.70000111.4D62 A105D62-V64 PolarHBondContact O-N 2.84Å; D62-V64 VanDerWaalsContact O-N 3.11Å; D62-V64 WeakPolarHBondContact OD1-CG2 3.46Å; D62-V64 PolarHBondContact OD1-N 2.86Å; V64-A105 HydrophobicContact CG2-CB 4.02Å
65E84.4Confident91.9Very high108 Ų10861.8 Ų61.851%0.50533%0.328SS..SBendtrans-92.5102.4-179.6-57-57.9147.200110D62 I63 D67 E68D62-E65 HydrophobicContact CB-CG 4.27Å; D62-E65 PolarHBondContact O-N 3.43Å; I63-E65 PolarHBondContact O-N 3.44Å; E65-D67 VanDerWaalsContact C-N 3.31Å; E65-D67 PolarHBondContact O-N 2.96Å; E65-E68 HydrophobicContact CB-CG 4.02Å; E65-E68 PolarHBondContact O-N 3.41Å
66E72.5Confident92Very high75 Ų7558.6 Ų58.635%0.3531%0.308SS..G310 helixtrans-53.3-42.1-170.6174.2158.6-145.500114.5E68 I69 Q108 R115E66-E68 PolarHBondContact O-N 3.41Å; E66-I69 WeakPolarHBondContact O-CG1 3.44Å; E66-I69 PolarHBondContact O-N 3.28Å; E66-Q108 HydrophobicContact CB-CG 4.25Å; E66-Q108 VanDerWaalsContact CB-NE2 3.31Å; E66-Q108 PolarHBondContact OE1-NE2 2.77Å; E66-Q108 PolarHBondContact OE2-NE2 3Å; E66-R115 IonicContact OE1-CZ 3.26Å; E66-R115 VanDerWaalsContact OE1-CZ 3.23Å; E66-R115 IonicContact OE1-NE 3.6Å; E66-R115 PolarHBondContact OE1-NE 2.64Å; E66-R115 IonicContact OE1-NH2 3.79Å; E66-R115 PolarHBondContact OE1-NH2 2.8Å
67D76.6Confident92Very high142 Ų14258.5 Ų58.576%0.75931%0.308SS*.G310 helixtrans-72.4-17.5-172.1-65.5-30.1000112.7E65E65-D67 VanDerWaalsContact C-N 3.31Å; E65-D67 PolarHBondContact O-N 2.96Å
68E83.7Confident92Very high100 Ų10053.9 Ų53.947%0.46729%0.288SS..G310 helixtrans-83.9-12.9-176.7-58.3-170.1163.300113.3A61 D62 E65 E66A61-E68 VanDerWaalsContact CA-OE2 3.28Å; A61-E68 WeakPolarHBondContact CA-OE2 3.25Å; A61-E68 HydrophobicContact CB-CB 3.59Å; D62-E68 PolarHBondContact N-OE2 2.64Å; E65-E68 HydrophobicContact CB-CG 4.02Å; E65-E68 PolarHBondContact O-N 3.41Å; E66-E68 PolarHBondContact O-N 3.41Å
69I92.4Very high92.1Very high0 Ų049 Ų490%027%0.265CS..SBendtrans-107.1-0.2-173.964.6170.7000114.7I39 A61 I63 E66 P72 L73 L109 S112I39-I69 HydrophobicContact CG2-CG2 4.25Å; A61-I69 HydrophobicContact CB-CG2 4.33Å; I63-I69 HydrophobicContact CG2-CD1 4.46Å; E66-I69 WeakPolarHBondContact O-CG1 3.44Å; E66-I69 PolarHBondContact O-N 3.28Å; I69-P72 WeakPolarHBondContact O-CD 3.43Å; I69-P72 WeakPolarHBondContact O-CG 3.34Å; I69-L73 HydrophobicContact CB-CD1 4.38Å; I69-L73 HydrophobicContact CD1-CD1 4.24Å; I69-L73 HydrophobicContact CG1-CD1 4.27Å; I69-L73 WeakPolarHBondContact O-CB 3.36Å; I69-L73 VanDerWaalsContact O-CD1 3.29Å; I69-L73 WeakPolarHBondContact O-CD1 3.32Å; I69-L73 WeakPolarHBondContact O-CG 3.42Å; I69-L73 PolarHBondContact O-N 3.39Å; I69-L109 HydrophobicContact CD1-CD1 4.47Å; I69-S112 WeakPolarHBondContact CD1-OG 3.38Å
70D93.1Very high92.2Very high41 Ų4147.3 Ų47.322%0.21926%0.257CS..Hα-helixtrans-71.9-41.7-178.3-85.7-11.6000113.3L73 T74 R115 H116D70-L73 PolarHBondContact O-N 3.32Å; D70-T74 PolarHBondContact O-N 2.61Å; D70-T74 PolarHBondContact O-OG1 3Å; D70-R115 IonicContact OD1-CZ 2.74Å; D70-R115 IonicContact OD1-NH1 2.74Å; D70-R115 PolarHBondContact OD1-NH1 3.43Å; D70-R115 VanDerWaalsContact OD1-NH1 3.15Å; D70-R115 IonicContact OD1-NH2 2.6Å; D70-R115 PolarHBondContact OD1-NH2 3.46Å; D70-R115 IonicContact OD2-CZ 2.59Å; D70-R115 IonicContact OD2-NH1 3.17Å; D70-R115 PolarHBondContact OD2-NH1 2.59Å; D70-R115 IonicContact OD2-NH2 3.65Å; D70-H116 WeakPolarHBondContact CA-NE2 3.24Å; D70-H116 VanDerWaalsContact CG-NE2 3.33Å; D70-H116 PolarHBondContact O-CE1 2.74Å; D70-H116 VanDerWaalsContact O-CE1 3.24Å; D70-H116 PolarHBondContact O-NE2 3.17Å; D70-H116 IonicContact OD1-CD2 3.43Å; D70-H116 IonicContact OD1-CE1 3.22Å; D70-H116 IonicContact OD1-NE2 2.78Å; D70-H116 PolarHBondContact OD1-NE2 2.93Å
71E94.6Very high92.3Very high145 Ų14542.2 Ų42.268%0.67823%0.231SC*.Hα-helixtrans-59-53.5176.7-173.3-176.1173.200112.6F59 L73 T74F59-E71 HydrophobicContact CE1-CB 4.44Å; F59-E71 HydrophobicContact CE1-CG 3.84Å; E71-L73 PolarHBondContact O-N 3.21Å; E71-T74 PolarHBondContact O-N 3.34Å
72P96.2Very high92.4Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-65.4-21.2-179.823.6-33.8000113.8V9 R37 I39 F59 I69V9-P72 VanDerWaalsContact CG2-O 3.27Å; V9-P72 WeakPolarHBondContact CG2-O 3.37Å; R37-P72 WeakPolarHBondContact CD-O 3.41Å; R37-P72 PolarHBondContact NH1-O 2.83Å; I39-P72 HydrophobicContact CD1-CB 3.69Å; I39-P72 HydrophobicContact CD1-CG 3.49Å; I39-P72 VanDerWaalsContact CD1-CG 3.49Å; I39-P72 HydrophobicContact CG1-CB 3.74Å; I39-P72 HydrophobicContact CG1-CG 3.8Å; F59-P72 HydrophobicContact CB-CB 4.14Å; F59-P72 HydrophobicContact CB-CG 4.22Å; F59-P72 HydrophobicContact CD1-CB 3.93Å; F59-P72 HydrophobicContact CD1-CG 4.21Å; F59-P72 HydrophobicContact CD2-CB 3.68Å; F59-P72 HydrophobicContact CE1-CB 4.23Å; F59-P72 HydrophobicContact CE2-CB 4Å; F59-P72 HydrophobicContact CG-CB 3.64Å; F59-P72 HydrophobicContact CG-CG 4.1Å; F59-P72 HydrophobicContact CZ-CB 4.25Å; I69-P72 WeakPolarHBondContact O-CD 3.43Å; I69-P72 WeakPolarHBondContact O-CG 3.34Å
73L97.2Very high92.7Very high0 Ų042.1 Ų42.10%023%0.234CC..Hα-helixtrans-86.5-17.4178.6-68.1176.1000113.4V9 I69 D70 E71 G75 A76 V79 L109 S112 H116 I118V9-L73 HydrophobicContact CB-CD2 4.47Å; V9-L73 HydrophobicContact CG1-CD2 4.09Å; V9-L73 HydrophobicContact CG2-CD2 4.28Å; I69-L73 HydrophobicContact CB-CD1 4.38Å; I69-L73 HydrophobicContact CD1-CD1 4.24Å; I69-L73 HydrophobicContact CG1-CD1 4.27Å; I69-L73 WeakPolarHBondContact O-CB 3.36Å; I69-L73 VanDerWaalsContact O-CD1 3.29Å; I69-L73 WeakPolarHBondContact O-CD1 3.32Å; I69-L73 WeakPolarHBondContact O-CG 3.42Å; I69-L73 PolarHBondContact O-N 3.39Å; D70-L73 PolarHBondContact O-N 3.32Å; E71-L73 PolarHBondContact O-N 3.21Å; L73-G75 PolarHBondContact O-N 2.71Å; L73-G75 VanDerWaalsContact O-N 3.11Å; L73-A76 WeakPolarHBondContact O-CB 3.19Å; L73-A76 PolarHBondContact O-N 3.25Å; L73-V79 HydrophobicContact CD2-CG2 3.92Å; L73-L109 HydrophobicContact CD1-CD1 4.39Å; L73-L109 HydrophobicContact CD2-CD1 4.37Å; L73-S112 VanDerWaalsContact CD1-CB 3.43Å; L73-H116 HydrophobicContact CB-CB 4.24Å; L73-I118 HydrophobicContact CB-CD1 3.8Å; L73-I118 HydrophobicContact CD2-CD1 3.52Å; L73-I118 HydrophobicContact CG-CD1 4.15Å
74T96.2Very high92.9Very high77 Ų7743.3 Ų43.347%0.47225%0.246SC..THydrogen-bonded Turntrans-62.7114.4-175.2-64.90000112.2R37 D70 E71 A76 H116R37-T74 PolarHBondContact NH1-O 2.96Å; R37-T74 PolarHBondContact NH2-O 3.42Å; D70-T74 PolarHBondContact O-N 2.61Å; D70-T74 PolarHBondContact O-OG1 3Å; E71-T74 PolarHBondContact O-N 3.34Å; T74-A76 VanDerWaalsContact C-N 3.26Å; T74-A76 PolarHBondContact O-N 3.41Å; T74-H116 PolarHBondContact OG1-CE1 2.74Å
75G96.4Very high93.3Very high50 Ų5045 Ų4552%0.51525%0.247SC..THydrogen-bonded Turntrans77.45-179.100000114.9L73L73-G75 PolarHBondContact O-N 2.71Å; L73-G75 VanDerWaalsContact O-N 3.11Å
76A98Very high93.7Very high7 Ų743.8 Ų43.86%0.05824%0.242CC..  trans-66154.4174.300000111.8I7 V9 L73 T74 I118I7-A76 HydrophobicContact CG2-CB 4.17Å; V9-A76 HydrophobicContact CG2-CB 3.5Å; V9-A76 VanDerWaalsContact CG2-CB 3.5Å; L73-A76 WeakPolarHBondContact O-CB 3.19Å; L73-A76 PolarHBondContact O-N 3.25Å; T74-A76 VanDerWaalsContact C-N 3.26Å; T74-A76 PolarHBondContact O-N 3.41Å; A76-I118 HydrophobicContact CB-CD1 3.78Å; A76-I118 HydrophobicContact CB-CG1 4.23Å
77T97.6Very high94.7Very high40 Ų4040.9 Ų40.925%0.24523%0.228CC..  trans-114.6-25.2-176.255.30000112.8D6 I7 P119 Y120D6-T77 WeakPolarHBondContact CA-OG1 3.11Å; D6-T77 VanDerWaalsContact CB-OG1 3.31Å; D6-T77 WeakPolarHBondContact CB-OG1 3.4Å; D6-T77 PolarHBondContact OD1-OG1 3.31Å; I7-T77 PolarHBondContact N-OG1 3.44Å; I7-T77 PolarHBondContact O-N 3.31Å; I7-T77 PolarHBondContact O-OG1 2.74Å; T77-P119 WeakPolarHBondContact O-CD 3.37Å; T77-Y120 WeakPolarHBondContact O-CD2 3.19Å
78I98.4Very high95.4Very high0 Ų036.7 Ų36.70%020%0.204CC..EExtended strand (participates in β ladder)trans-153.3144.7180-173.9162.3000110.5V8 V9 F80 Y120 I122 A240V8-I78 HydrophobicContact CB-CG2 4.37Å; V8-I78 HydrophobicContact CG1-CG2 4.42Å; V8-I78 HydrophobicContact CG2-CG2 3.78Å; V9-I78 PolarHBondContact N-O 3.5Å; I78-F80 HydrophobicContact CD1-CE2 4.44Å; I78-F80 HydrophobicContact CD1-CZ 4.27Å; I78-F80 HydrophobicContact CG1-CE2 4.4Å; I78-F80 HydrophobicContact CG2-CE2 4.25Å; I78-Y120 WeakPolarHBondContact CA-O 3.45Å; I78-I122 HydrophobicContact CD1-CG1 4.27Å; I78-A240 HydrophobicContact CD1-CB 3.47Å; I78-A240 VanDerWaalsContact CD1-CB 3.47Å
79V98.7Very high95.7Very high0 Ų033.1 Ų33.10%019%0.187CC..EExtended strand (participates in β ladder)trans-116.7134.4173.7-176.80000110.4V9 T11 L73 L109 M113 I118 Y120 L121 I122V9-V79 HydrophobicContact CB-CG2 4.14Å; V9-V79 HydrophobicContact CG1-CG1 4.43Å; V9-V79 CarbonylContact O-C 3.52Å; V9-V79 WeakPolarHBondContact O-CA 3.36Å; T11-V79 HydrophobicContact CG2-CG1 4.2Å; L73-V79 HydrophobicContact CD2-CG2 3.92Å; V79-L109 HydrophobicContact CG1-CD1 4.34Å; V79-L109 HydrophobicContact CG1-CD2 4.09Å; V79-M113 HydrophobicContact CB-CE 3.88Å; V79-M113 HydrophobicContact CB-SD 3.96Å; V79-M113 HydrophobicContact CG1-SD 4.49Å; V79-M113 HydrophobicContact CG2-CE 3.62Å; V79-M113 HydrophobicContact CG2-CG 3.91Å; V79-M113 HydrophobicContact CG2-SD 3.73Å; V79-I118 HydrophobicContact CG2-CD1 4.19Å; V79-I118 HydrophobicContact CG2-CG2 4.17Å; V79-Y120 PolarHBondContact N-O 3.22Å; V79-L121 HydrophobicContact CB-CD1 4.01Å; V79-L121 HydrophobicContact CG1-CD1 4.07Å; V79-L121 CarbonylContact O-C 3.55Å; V79-L121 WeakPolarHBondContact O-CA 3.3Å; V79-I122 PolarHBondContact O-N 2.9Å
80F98.9Very high95.4Very high0 Ų034.4 Ų34.40%020%0.2CC..EExtended strand (participates in β ladder)trans-103.8111.3164.6-63.8-91.4000109.3V8 V9 I10 T11 L21 I25 W29 I78 T82 I122 H236 L237 A240V8-F80 HydrophobicContact CG1-CD2 3.54Å; V8-F80 HydrophobicContact CG1-CE2 3.51Å; V9-F80 PolarHBondContact O-N 2.78Å; I10-F80 WeakPolarHBondContact CA-O 3.2Å; I10-F80 HydrophobicContact CG1-CB 4.32Å; I10-F80 HydrophobicContact CG1-CD2 4.31Å; I10-F80 HydrophobicContact CG2-CB 4.49Å; T11-F80 PolarHBondContact N-O 3.03Å; L21-F80 HydrophobicContact CD1-CD1 4.26Å; L21-F80 HydrophobicContact CD1-CE1 4.34Å; L21-F80 HydrophobicContact CD2-CB 3.42Å; L21-F80 VanDerWaalsContact CD2-CB 3.42Å; L21-F80 HydrophobicContact CD2-CD1 3.79Å; L21-F80 HydrophobicContact CD2-CD2 4.12Å; L21-F80 HydrophobicContact CD2-CG 3.53Å; I25-F80 HydrophobicContact CD1-CE2 4.42Å; W29-F80 HydrophobicContact CH2-CE2 4.36Å; W29-F80 AromaticContact CH2-CZ 3.71Å; W29-F80 HydrophobicContact CH2-CZ 3.71Å; W29-F80 AromaticContact CZ3-CE2 3.99Å; W29-F80 HydrophobicContact CZ3-CE2 3.99Å; W29-F80 AromaticContact CZ3-CZ 3.77Å; W29-F80 HydrophobicContact CZ3-CZ 3.77Å; I78-F80 HydrophobicContact CD1-CE2 4.44Å; I78-F80 HydrophobicContact CD1-CZ 4.27Å; I78-F80 HydrophobicContact CG1-CE2 4.4Å; I78-F80 HydrophobicContact CG2-CE2 4.25Å; F80-T82 PolarHBondContact O-N 2.78Å; F80-I122 HydrophobicContact CD1-CB 3.65Å; F80-I122 HydrophobicContact CD1-CG1 3.98Å; F80-I122 HydrophobicContact CD1-CG2 4.1Å; F80-I122 HydrophobicContact CE1-CB 3.98Å; F80-I122 HydrophobicContact CE1-CG1 3.78Å; F80-I122 HydrophobicContact CE1-CG2 4.38Å; F80-H236 HydrophobicContact CD1-CB 3.97Å; F80-H236 HydrophobicContact CE1-CB 3.91Å; F80-L237 HydrophobicContact CE1-CD2 4.19Å; F80-L237 HydrophobicContact CZ-CD2 3.91Å; F80-A240 HydrophobicContact CE1-CB 3.94Å; F80-A240 HydrophobicContact CZ-CB 3.71Å
81H98.6Very high94.9Very high2 Ų233.1 Ų33.11%0.00919%0.193CC..EExtended strand (participates in β ladder)trans-95.790.6-176.2-17536.4000111.6T11 A83 T106 L109 L121 I122 Y123 T124T11-H81 VanDerWaalsContact OG1-CA 3.29Å; T11-H81 WeakPolarHBondContact OG1-CA 3.47Å; T11-H81 PolarHBondContact OG1-ND1 2.59Å; H81-A83 PolarHBondContact CE1-O 3.18Å; H81-T106 PolarHBondContact CD2-OG1 2.68Å; H81-T106 PolarHBondContact NE2-OG1 2.83Å; H81-L109 HydrophobicContact CB-CD2 3.82Å; H81-L121 HydrophobicContact CB-CD1 3.73Å; H81-I122 PolarHBondContact N-O 3.17Å; H81-Y123 HydrophobicContact CB-CD2 4.34Å; H81-Y123 AromaticContact CD2-CD2 3.55Å; H81-Y123 AromaticContact CD2-CE2 3.6Å; H81-T124 PolarHBondContact O-N 3.38Å; H81-T124 VanDerWaalsContact O-N 3.1Å; H81-T124 PolarHBondContact O-OG1 3.41Å
82T97.9Very high94.3Very high21 Ų2130.9 Ų30.913%0.12918%0.179CC..  trans-105.1-12.8178.878.80000113.6T11 G12 L17 L21 F80 A84T11-T82 CarbonylContact O-C 3.56Å; T11-T82 PolarHBondContact O-N 2.95Å; T11-T82 VanDerWaalsContact O-N 3.12Å; T11-T82 PolarHBondContact O-OG1 2.79Å; T11-T82 PolarHBondContact OG1-N 3.1Å; G12-T82 PolarHBondContact O-OG1 2.87Å; L17-T82 HydrophobicContact CD2-CG2 4.1Å; L17-T82 HydrophobicContact CG-CG2 4.29Å; L21-T82 HydrophobicContact CD2-CG2 4.33Å; F80-T82 PolarHBondContact O-N 2.78Å; T82-A84 PolarHBondContact O-N 2.79Å
83A96.9Very high93.6Very high22 Ų2231.5 Ų31.518%0.18218%0.184CC..  trans-63.6127.8177.300000111.6T11 I63 H81T11-A83 PolarHBondContact O-N 2.88Å; T11-A83 VanDerWaalsContact O-N 3.12Å; T11-A83 PolarHBondContact OG1-N 2.91Å; I63-A83 HydrophobicContact CD1-CB 3.35Å; H81-A83 PolarHBondContact CE1-O 3.18Å
84A95.9Very high93.2Very high37 Ų3734.5 Ų34.531%0.30620%0.2SC..  trans-161.7150.417100000110.1T82 Q86 N102 K162T82-A84 PolarHBondContact O-N 2.79Å; A84-Q86 PolarHBondContact O-N 2.89Å; A84-N102 VanDerWaalsContact CA-OD1 3.23Å; A84-N102 WeakPolarHBondContact CA-OD1 3.32Å; A84-N102 WeakPolarHBondContact CB-OD1 3.27Å; A84-K162 HydrophobicContact CB-CD 4.48Å
85R94.7Very high93Very high77 Ų7736.1 Ų36.129%0.29120%0.197SC..PPolyproline II helixtrans-64.5126.6154.7177.8177-73.6-86.9-11.5108.6E88 F98 D101 N102 Y158R85-E88 IonicContact CZ-OE1 3.77Å; R85-E88 IonicContact NH1-OE1 3.87Å; R85-E88 PolarHBondContact NH1-OE1 2.59Å; R85-F98 HydrophobicContact CB-CD1 4.2Å; R85-F98 HydrophobicContact CB-CE1 4.15Å; R85-F98 VanDerWaalsContact CD-CE1 3.47Å; R85-F98 HydrophobicContact CG-CD1 3.86Å; R85-F98 HydrophobicContact CG-CE1 3.44Å; R85-F98 VanDerWaalsContact CG-CE1 3.44Å; R85-F98 HydrophobicContact CG-CZ 3.85Å; R85-D101 HydrophobicContact CB-CB 3.85Å; R85-D101 IonicContact CZ-OD2 3.13Å; R85-D101 IonicContact NE-OD2 3.22Å; R85-D101 PolarHBondContact NE-OD2 3.32Å; R85-D101 IonicContact NH2-OD2 2.83Å; R85-D101 PolarHBondContact NH2-OD2 3.44Å; R85-N102 PolarHBondContact N-OD1 3.42Å; R85-N102 PolarHBondContact O-ND2 3.04Å; R85-N102 VanDerWaalsContact O-ND2 3.16Å; R85-Y158 WeakPolarHBondContact O-CD2 3.39Å; R85-Y158 WeakPolarHBondContact O-CE2 3.2Å
86Q93.8Very high93Very high84 Ų8438.9 Ų38.939%0.39320%0.197SC..PPolyproline II helixtrans-77.4161.9178.4-65.3177.2-13.800111.8A84 F98 N199 F200A84-Q86 PolarHBondContact O-N 2.89Å; Q86-F98 VanDerWaalsContact O-CE1 3.22Å; Q86-F98 WeakPolarHBondContact O-CE1 3.29Å; Q86-F98 WeakPolarHBondContact O-CZ 3.45Å; Q86-N199 PolarHBondContact NE2-OD1 3.47Å; Q86-F200 HydrophobicContact CB-CD2 3.94Å; Q86-F200 HydrophobicContact CB-CE2 4.15Å; Q86-F200 HydrophobicContact CG-CD2 4.44Å; Q86-F200 VanDerWaalsContact OE1-CD2 3.29Å
87F92.9Very high92.8Very high14 Ų1441.3 Ų41.36%0.06121%0.206CC..PPolyproline II helixtrans-55.5142.4174.9173.9-108.2000111.6F89 L155 R156 Y158 F200F87-F89 AromaticContact CD1-CD1 3.75Å; F87-F89 HydrophobicContact CD1-CD1 3.75Å; F87-F89 AromaticContact CD1-CE1 3.81Å; F87-F89 HydrophobicContact CD1-CE1 3.81Å; F87-F89 AromaticContact CE1-CD1 3.65Å; F87-F89 HydrophobicContact CE1-CD1 3.65Å; F87-F89 HydrophobicContact CE1-CE1 4.07Å; F87-L155 HydrophobicContact CD2-CB 4.18Å; F87-L155 WeakPolarHBondContact CD2-O 3.08Å; F87-L155 HydrophobicContact CE2-CB 4.43Å; F87-R156 HydrophobicContact CE2-CG 4.35Å; F87-Y158 HydrophobicContact CB-CD1 4.02Å; F87-Y158 HydrophobicContact CB-CG 3.99Å; F87-F200 HydrophobicContact CB-CE2 4.18Å; F87-F200 HydrophobicContact CB-CZ 3.86Å; F87-F200 HydrophobicContact CD1-CZ 4.06Å; F87-F200 HydrophobicContact CG-CZ 4.47Å; F87-F200 VanDerWaalsContact O-CE2 3.25Å; F87-F200 WeakPolarHBondContact O-CE2 3.48Å
88E91.3Very high92.7Very high54 Ų5439.5 Ų39.525%0.25220%0.195SC..  trans-105.6118.6178.4-76.8171.8-167.600109.7R85 G90 A93 F98R85-E88 IonicContact CZ-OE1 3.77Å; R85-E88 IonicContact NH1-OE1 3.87Å; R85-E88 PolarHBondContact NH1-OE1 2.59Å; E88-G90 VanDerWaalsContact C-N 3.3Å; E88-G90 PolarHBondContact O-N 3.04Å; E88-A93 WeakPolarHBondContact OE2-CA 3.43Å; E88-F98 HydrophobicContact CB-CZ 4.31Å; E88-F98 HydrophobicContact CG-CE2 4.27Å; E88-F98 HydrophobicContact CG-CZ 3.89Å
89F89.6Confident92.6Very high25 Ų2540.6 Ų40.611%0.1120%0.2CC..  trans-70-24.5-175.1-58.9-64.9000114.1F87 F200 F201 E204 P318 N319 T322 F326F87-F89 AromaticContact CD1-CD1 3.75Å; F87-F89 HydrophobicContact CD1-CD1 3.75Å; F87-F89 AromaticContact CD1-CE1 3.81Å; F87-F89 HydrophobicContact CD1-CE1 3.81Å; F87-F89 AromaticContact CE1-CD1 3.65Å; F87-F89 HydrophobicContact CE1-CD1 3.65Å; F87-F89 HydrophobicContact CE1-CE1 4.07Å; F89-F200 HydrophobicContact CE1-CE1 4.23Å; F89-F200 AromaticContact CE1-CE2 3.93Å; F89-F200 HydrophobicContact CE1-CE2 3.93Å; F89-F200 AromaticContact CE1-CZ 3.53Å; F89-F200 HydrophobicContact CE1-CZ 3.53Å; F89-F200 HydrophobicContact CE2-CD2 4.01Å; F89-F200 AromaticContact CE2-CE2 3.54Å; F89-F200 HydrophobicContact CE2-CE2 3.54Å; F89-F200 HydrophobicContact CE2-CZ 4Å; F89-F200 HydrophobicContact CZ-CD1 4.33Å; F89-F200 AromaticContact CZ-CD2 3.87Å; F89-F200 HydrophobicContact CZ-CD2 3.87Å; F89-F200 AromaticContact CZ-CE1 3.78Å; F89-F200 HydrophobicContact CZ-CE1 3.78Å; F89-F200 AromaticContact CZ-CE2 3.2Å; F89-F200 HydrophobicContact CZ-CE2 3.2Å; F89-F200 HydrophobicContact CZ-CG 4.38Å; F89-F200 AromaticContact CZ-CZ 3.16Å; F89-F200 HydrophobicContact CZ-CZ 3.16Å; F89-F201 HydrophobicContact CZ-CB 4.05Å; F89-E204 HydrophobicContact CD2-CB 3.96Å; F89-E204 HydrophobicContact CD2-CG 3.62Å; F89-E204 HydrophobicContact CE2-CB 3.82Å; F89-E204 HydrophobicContact CE2-CG 3.98Å; F89-E204 HydrophobicContact CG-CG 4.26Å; F89-P318 WeakPolarHBondContact O-CA 3.08Å; F89-N319 PolarHBondContact O-N 3.26Å; F89-T322 WeakPolarHBondContact CA-OG1 3.27Å; F89-T322 HydrophobicContact CB-CG2 4.09Å; F89-T322 HydrophobicContact CD1-CG2 3.82Å; F89-T322 HydrophobicContact CG-CG2 4.42Å; F89-T322 PolarHBondContact O-OG1 3.45Å; F89-F326 AromaticContact CD1-CE2 3.83Å; F89-F326 HydrophobicContact CD1-CE2 3.83Å; F89-F326 HydrophobicContact CD1-CZ 4.45Å; F89-F326 AromaticContact CE1-CE2 3.49Å; F89-F326 HydrophobicContact CE1-CE2 3.49Å; F89-F326 VanDerWaalsContact CE1-CE2 3.49Å; F89-F326 AromaticContact CE1-CZ 3.67Å; F89-F326 HydrophobicContact CE1-CZ 3.67Å; F89-F326 HydrophobicContact CZ-CZ 4.47Å
90G86.4Confident92.5Very high27 Ų2743.5 Ų43.528%0.27821%0.214SC..BIsolated β-bridgetrans-81.2177.7-171.400000115.1E88 Y92 R156 N319E88-G90 VanDerWaalsContact C-N 3.3Å; E88-G90 PolarHBondContact O-N 3.04Å; G90-Y92 PolarHBondContact O-N 2.94Å; G90-R156 PolarHBondContact O-NH1 3.01Å; G90-N319 WeakPolarHBondContact O-CB 3.49Å
91M83.4Confident92.3Very high14 Ų1444.3 Ų44.37%0.06922%0.218CC..SBendtrans-61.3-38.6-175.7-73-64.5150.900114.3L295 Q299 L302 L317 P318 N319M91-L295 HydrophobicContact CE-CD2 3.88Å; M91-Q299 HydrophobicContact SD-CB 4.15Å; M91-Q299 HydrophobicContact SD-CG 4.45Å; M91-L302 HydrophobicContact CB-CD1 3.98Å; M91-L302 HydrophobicContact CG-CD1 3.92Å; M91-L317 HydrophobicContact CE-CB 3.67Å; M91-L317 HydrophobicContact CG-CB 4.47Å; M91-P318 VanDerWaalsContact CE-C 3.48Å; M91-P318 WeakPolarHBondContact CE-O 3.28Å; M91-N319 PolarHBondContact O-ND2 3.36Å
92Y81Confident92.3Very high98 Ų9844.3 Ų44.338%0.38422%0.218SC..  trans-97.3143.2-178-178.7-100.1000111G90 N94 T312G90-Y92 PolarHBondContact O-N 2.94Å; Y92-N94 HydrophobicContact CE1-CB 4.02Å; Y92-T312 HydrophobicContact CD2-CG2 3.96Å; Y92-T312 HydrophobicContact CE2-CG2 3.62Å
93A82.9Confident92.2Very high12 Ų1244.7 Ų44.710%0.09922%0.218CC..  trans-145.9135.6165.800000108.8E88 R95 F98 E157E88-A93 WeakPolarHBondContact OE2-CA 3.43Å; A93-R95 PolarHBondContact O-N 2.86Å; A93-F98 HydrophobicContact CB-CD2 4.48Å; A93-F98 HydrophobicContact CB-CE2 3.92Å; A93-E157 HydrophobicContact CB-CG 4.42Å; A93-E157 VanDerWaalsContact CB-OE2 3.29Å; A93-E157 WeakPolarHBondContact CB-OE2 3.48Å
94N88.7Confident92.1Very high64 Ų6448.2 Ų48.234%0.34223%0.231SC..  trans-88.295.9179.4-175.8-18.4000110.4Y92 Q96 K97 F98Y92-N94 HydrophobicContact CE1-CB 4.02Å; N94-Q96 VanDerWaalsContact C-N 3.26Å; N94-Q96 PolarHBondContact O-N 2.97Å; N94-Q96 WeakPolarHBondContact OD1-CB 3.45Å; N94-Q96 PolarHBondContact OD1-N 2.84Å; N94-Q96 VanDerWaalsContact OD1-N 3.12Å; N94-K97 HydrophobicContact CB-CB 3.9Å; N94-K97 PolarHBondContact O-N 3.38Å; N94-K97 PolarHBondContact OD1-N 2.96Å; N94-K97 VanDerWaalsContact OD1-N 3.14Å; N94-F98 WeakPolarHBondContact O-CD2 3.47Å; N94-F98 PolarHBondContact O-N 3.19Å
95R92.1Very high92.2Very high110 Ų11046.6 Ų46.642%0.41522%0.217SC..Hα-helixtrans-52.1-42.2179.4-172.9174.8175.1-88.81.2113.6A93 K97 F98 M99 E157 E160A93-R95 PolarHBondContact O-N 2.86Å; R95-K97 VanDerWaalsContact C-N 3.33Å; R95-F98 PolarHBondContact O-N 2.86Å; R95-M99 VanDerWaalsContact NH2-CE 3.3Å; R95-M99 WeakPolarHBondContact O-CG 3.44Å; R95-M99 PolarHBondContact O-N 3.12Å; R95-E157 HydrophobicContact CB-CB 4.35Å; R95-E157 HydrophobicContact CB-CG 3.5Å; R95-E157 HydrophobicContact CG-CB 4.36Å; R95-E157 HydrophobicContact CG-CG 3.77Å; R95-E160 IonicContact CZ-OE1 3.33Å; R95-E160 IonicContact CZ-OE2 2.8Å; R95-E160 IonicContact NE-OE1 3.15Å; R95-E160 IonicContact NE-OE2 3.81Å; R95-E160 PolarHBondContact NE-OE2 3.37Å; R95-E160 VanDerWaalsContact NH2-CD 3.34Å; R95-E160 IonicContact NH2-OE1 2.92Å; R95-E160 PolarHBondContact NH2-OE1 2.81Å; R95-E160 IonicContact NH2-OE2 2.69Å; R95-E160 PolarHBondContact NH2-OE2 3.41Å
96Q94.6Very high92.3Very high108 Ų10843 Ų4351%0.50520%0.203SC..Hα-helixtrans-62.7-44.7-179.9179.660.224.900110.3N94 F98 M99 E100N94-Q96 VanDerWaalsContact C-N 3.26Å; N94-Q96 PolarHBondContact O-N 2.97Å; N94-Q96 WeakPolarHBondContact OD1-CB 3.45Å; N94-Q96 PolarHBondContact OD1-N 2.84Å; N94-Q96 VanDerWaalsContact OD1-N 3.12Å; Q96-F98 PolarHBondContact O-N 3.32Å; Q96-M99 WeakPolarHBondContact O-CB 3.47Å; Q96-M99 PolarHBondContact O-N 3.07Å; Q96-M99 VanDerWaalsContact O-N 3.15Å; Q96-E100 VanDerWaalsContact CG-OE1 3.29Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.5Å; Q96-E100 PolarHBondContact NE2-OE1 3.1Å; Q96-E100 WeakPolarHBondContact O-CG 3.47Å; Q96-E100 PolarHBondContact O-N 3.36Å
97K94Very high92.3Very high59 Ų5941 Ų4126%0.25719%0.194SC..Hα-helixtrans-66.3-36179-167.352.3169.81600113N94 R95 E100 D101N94-K97 HydrophobicContact CB-CB 3.9Å; N94-K97 PolarHBondContact O-N 3.38Å; N94-K97 PolarHBondContact OD1-N 2.96Å; N94-K97 VanDerWaalsContact OD1-N 3.14Å; R95-K97 VanDerWaalsContact C-N 3.33Å; K97-E100 WeakPolarHBondContact CD-OE2 3.46Å; K97-E100 PolarHBondContact O-N 2.79Å; K97-D101 WeakPolarHBondContact CD-OD1 3.41Å; K97-D101 WeakPolarHBondContact CE-OD1 3.47Å; K97-D101 VanDerWaalsContact CE-OD2 3.27Å; K97-D101 WeakPolarHBondContact CE-OD2 3.34Å; K97-D101 WeakPolarHBondContact CG-OD2 3.39Å; K97-D101 IonicContact NZ-OD1 3.93Å; K97-D101 PolarHBondContact NZ-OD1 2.87Å; K97-D101 IonicContact NZ-OD2 2.84Å; K97-D101 VanDerWaalsContact O-CB 3.28Å; K97-D101 WeakPolarHBondContact O-CB 3.4Å; K97-D101 VanDerWaalsContact O-CG 3.3Å; K97-D101 PolarHBondContact O-N 3.06Å
98F95.7Very high92.4Very high2 Ų242 Ų421%0.00920%0.198CC..Hα-helixtrans-62.9-41.8171-85.6-77000112.4R85 Q86 E88 A93 N94 R95 Q96 N102 E157 Y158R85-F98 HydrophobicContact CB-CD1 4.2Å; R85-F98 HydrophobicContact CB-CE1 4.15Å; R85-F98 VanDerWaalsContact CD-CE1 3.47Å; R85-F98 HydrophobicContact CG-CD1 3.86Å; R85-F98 HydrophobicContact CG-CE1 3.44Å; R85-F98 VanDerWaalsContact CG-CE1 3.44Å; R85-F98 HydrophobicContact CG-CZ 3.85Å; Q86-F98 VanDerWaalsContact O-CE1 3.22Å; Q86-F98 WeakPolarHBondContact O-CE1 3.29Å; Q86-F98 WeakPolarHBondContact O-CZ 3.45Å; E88-F98 HydrophobicContact CB-CZ 4.31Å; E88-F98 HydrophobicContact CG-CE2 4.27Å; E88-F98 HydrophobicContact CG-CZ 3.89Å; A93-F98 HydrophobicContact CB-CD2 4.48Å; A93-F98 HydrophobicContact CB-CE2 3.92Å; N94-F98 WeakPolarHBondContact O-CD2 3.47Å; N94-F98 PolarHBondContact O-N 3.19Å; R95-F98 PolarHBondContact O-N 2.86Å; Q96-F98 PolarHBondContact O-N 3.32Å; F98-N102 VanDerWaalsContact O-CB 3.28Å; F98-N102 WeakPolarHBondContact O-CB 3.37Å; F98-N102 PolarHBondContact O-N 3.37Å; F98-E157 HydrophobicContact CB-CB 4.06Å; F98-E157 HydrophobicContact CD2-CB 3.66Å; F98-E157 HydrophobicContact CE2-CB 4.36Å; F98-E157 HydrophobicContact CG-CB 3.92Å; F98-Y158 HydrophobicContact CD1-CD2 4.43Å; F98-Y158 HydrophobicContact CE1-CD2 4.07Å; F98-Y158 HydrophobicContact CE1-CG 4.36Å
99M96.4Very high92.6Very high23 Ų2339.4 Ų39.411%0.11319%0.187CC..Iπ-helixtrans-66.8-38.2177.1-71.8-70.6-139.100112.4R95 Q96 F103 Q104 E160R95-M99 VanDerWaalsContact NH2-CE 3.3Å; R95-M99 WeakPolarHBondContact O-CG 3.44Å; R95-M99 PolarHBondContact O-N 3.12Å; Q96-M99 WeakPolarHBondContact O-CB 3.47Å; Q96-M99 PolarHBondContact O-N 3.07Å; Q96-M99 VanDerWaalsContact O-N 3.15Å; M99-F103 CarbonylContact O-C 3.39Å; M99-F103 WeakPolarHBondContact O-CA 3.33Å; M99-F103 WeakPolarHBondContact O-CB 3.26Å; M99-F103 PolarHBondContact O-N 3.11Å; M99-F103 HydrophobicContact SD-CB 4.27Å; M99-F103 HydrophobicContact SD-CD1 4.31Å; M99-Q104 PolarHBondContact O-N 2.88Å; M99-E160 HydrophobicContact CE-CG 4.19Å
100E96.2Very high92.9Very high61 Ų6138.3 Ų38.329%0.28518%0.182SC..Iπ-helixtrans-65.2-60173.8-72.7165.6-173.300111.3Q96 K97 N102 A105Q96-E100 VanDerWaalsContact CG-OE1 3.29Å; Q96-E100 WeakPolarHBondContact CG-OE1 3.5Å; Q96-E100 PolarHBondContact NE2-OE1 3.1Å; Q96-E100 WeakPolarHBondContact O-CG 3.47Å; Q96-E100 PolarHBondContact O-N 3.36Å; K97-E100 WeakPolarHBondContact CD-OE2 3.46Å; K97-E100 PolarHBondContact O-N 2.79Å; E100-N102 VanDerWaalsContact C-N 3.28Å; E100-N102 PolarHBondContact O-N 2.8Å; E100-A105 PolarHBondContact O-N 3.2Å
101D95.8Very high93.2Very high16 Ų1641.1 Ų41.19%0.08619%0.186CC..Iπ-helixtrans-67.7-25.9-170.9-70.5-10.1000113.1R85 K97 A105R85-D101 HydrophobicContact CB-CB 3.85Å; R85-D101 IonicContact CZ-OD2 3.13Å; R85-D101 IonicContact NE-OD2 3.22Å; R85-D101 PolarHBondContact NE-OD2 3.32Å; R85-D101 IonicContact NH2-OD2 2.83Å; R85-D101 PolarHBondContact NH2-OD2 3.44Å; K97-D101 WeakPolarHBondContact CD-OD1 3.41Å; K97-D101 WeakPolarHBondContact CE-OD1 3.47Å; K97-D101 VanDerWaalsContact CE-OD2 3.27Å; K97-D101 WeakPolarHBondContact CE-OD2 3.34Å; K97-D101 WeakPolarHBondContact CG-OD2 3.39Å; K97-D101 IonicContact NZ-OD1 3.93Å; K97-D101 PolarHBondContact NZ-OD1 2.87Å; K97-D101 IonicContact NZ-OD2 2.84Å; K97-D101 VanDerWaalsContact O-CB 3.28Å; K97-D101 WeakPolarHBondContact O-CB 3.4Å; K97-D101 VanDerWaalsContact O-CG 3.3Å; K97-D101 PolarHBondContact O-N 3.06Å; D101-A105 VanDerWaalsContact O-CB 3.31Å; D101-A105 WeakPolarHBondContact O-CB 3.3Å
102N97.4Very high93.8Very high2 Ų240.5 Ų40.51%0.01118%0.183CC..Iπ-helixtrans-109.4-60.2-179.1-63.5-8.8000111.6A84 R85 F98 E100 T106 S161 S165A84-N102 VanDerWaalsContact CA-OD1 3.23Å; A84-N102 WeakPolarHBondContact CA-OD1 3.32Å; A84-N102 WeakPolarHBondContact CB-OD1 3.27Å; R85-N102 PolarHBondContact N-OD1 3.42Å; R85-N102 PolarHBondContact O-ND2 3.04Å; R85-N102 VanDerWaalsContact O-ND2 3.16Å; F98-N102 VanDerWaalsContact O-CB 3.28Å; F98-N102 WeakPolarHBondContact O-CB 3.37Å; F98-N102 PolarHBondContact O-N 3.37Å; E100-N102 VanDerWaalsContact C-N 3.28Å; E100-N102 PolarHBondContact O-N 2.8Å; N102-T106 WeakPolarHBondContact O-CB 3.45Å; N102-T106 PolarHBondContact O-N 3Å; N102-T106 VanDerWaalsContact O-N 3.12Å; N102-T106 PolarHBondContact O-OG1 2.88Å; N102-S161 WeakPolarHBondContact CB-OG 3.29Å; N102-S161 PolarHBondContact ND2-OG 3.43Å; N102-S165 PolarHBondContact O-OG 3.48Å
103F96.6Very high94.5Very high29 Ų2935.8 Ų35.813%0.12717%0.165CC..Iπ-helixtrans-77.1-49.4-169.9-178.5-136.8000113.5M99 T106 K107 R164 S165 W168M99-F103 CarbonylContact O-C 3.39Å; M99-F103 WeakPolarHBondContact O-CA 3.33Å; M99-F103 WeakPolarHBondContact O-CB 3.26Å; M99-F103 PolarHBondContact O-N 3.11Å; M99-F103 HydrophobicContact SD-CB 4.27Å; M99-F103 HydrophobicContact SD-CD1 4.31Å; F103-T106 PolarHBondContact O-N 2.99Å; F103-K107 VanDerWaalsContact CE2-CE 3.47Å; F103-K107 HydrophobicContact CE2-CG 4.46Å; F103-K107 HydrophobicContact CZ-CD 4.49Å; F103-K107 PolarHBondContact O-N 2.88Å; F103-R164 HydrophobicContact CD1-CB 4.31Å; F103-R164 HydrophobicContact CD2-CB 4.05Å; F103-R164 HydrophobicContact CE1-CB 4.35Å; F103-R164 HydrophobicContact CE2-CB 4.1Å; F103-R164 WeakPolarHBondContact CE2-O 3.46Å; F103-R164 HydrophobicContact CG-CB 4.15Å; F103-R164 HydrophobicContact CZ-CB 4.23Å; F103-S165 WeakPolarHBondContact CA-OG 3.36Å; F103-W168 HydrophobicContact CE2-CB 3.81Å; F103-W168 HydrophobicContact CE2-CG 4.2Å; F103-W168 HydrophobicContact CZ-CB 4.36Å
104Q95.4Very high95Very high97 Ų9736.3 Ų36.345%0.45317%0.167SC..Iπ-helixtrans-71.2-40.6179.6-58.8-66.830.400111.2M99 T106 K107 Q108M99-Q104 PolarHBondContact O-N 2.88Å; Q104-T106 VanDerWaalsContact C-N 3.31Å; Q104-T106 PolarHBondContact O-N 2.72Å; Q104-K107 WeakPolarHBondContact O-CB 3.49Å; Q104-K107 PolarHBondContact O-N 3.24Å; Q104-Q108 WeakPolarHBondContact O-CB 3.25Å; Q104-Q108 PolarHBondContact O-N 2.9Å
105A96.3Very high95.2Very high2 Ų238.6 Ų38.62%0.01717%0.171CC..Hα-helixtrans-54.6-44.3171.300000112.5I63 V64 E100 D101 K107 Q108 L109I63-A105 HydrophobicContact CB-CB 4.29Å; I63-A105 HydrophobicContact CG2-CB 4.05Å; I63-A105 WeakPolarHBondContact CG2-O 2.99Å; V64-A105 HydrophobicContact CG2-CB 4.02Å; E100-A105 PolarHBondContact O-N 3.2Å; D101-A105 VanDerWaalsContact O-CB 3.31Å; D101-A105 WeakPolarHBondContact O-CB 3.3Å; A105-K107 VanDerWaalsContact C-N 3.35Å; A105-K107 PolarHBondContact O-N 3.43Å; A105-Q108 PolarHBondContact O-N 3.5Å; A105-L109 WeakPolarHBondContact O-CB 3.45Å; A105-L109 PolarHBondContact O-N 3.08Å
106T96.9Very high95.3Very high1 Ų135.5 Ų35.51%0.00616%0.16CC..Hα-helixtrans-59.9-42.7174.6-65.30000112H81 N102 F103 Q104 V110 Y123 S165 L169H81-T106 PolarHBondContact CD2-OG1 2.68Å; H81-T106 PolarHBondContact NE2-OG1 2.83Å; N102-T106 WeakPolarHBondContact O-CB 3.45Å; N102-T106 PolarHBondContact O-N 3Å; N102-T106 VanDerWaalsContact O-N 3.12Å; N102-T106 PolarHBondContact O-OG1 2.88Å; F103-T106 PolarHBondContact O-N 2.99Å; Q104-T106 VanDerWaalsContact C-N 3.31Å; Q104-T106 PolarHBondContact O-N 2.72Å; T106-V110 WeakPolarHBondContact O-CG2 3.39Å; T106-V110 PolarHBondContact O-N 3.22Å; T106-V110 VanDerWaalsContact O-N 3.15Å; T106-Y123 HydrophobicContact CG2-CE2 4.27Å; T106-S165 PolarHBondContact OG1-OG 3.09Å; T106-L169 HydrophobicContact CG2-CD1 3.7Å; T106-L169 HydrophobicContact CG2-CD2 4.06Å; T106-L169 HydrophobicContact CG2-CG 3.98Å
107K94.9Very high95.3Very high43 Ų4341.1 Ų41.119%0.18718%0.177CC..Hα-helixtrans-65-44.7177.5-70.3-173.2-175162.80112F103 Q104 A105 L109 V110 F111 W168F103-K107 VanDerWaalsContact CE2-CE 3.47Å; F103-K107 HydrophobicContact CE2-CG 4.46Å; F103-K107 HydrophobicContact CZ-CD 4.49Å; F103-K107 PolarHBondContact O-N 2.88Å; Q104-K107 WeakPolarHBondContact O-CB 3.49Å; Q104-K107 PolarHBondContact O-N 3.24Å; A105-K107 VanDerWaalsContact C-N 3.35Å; A105-K107 PolarHBondContact O-N 3.43Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-L109 PolarHBondContact O-N 2.95Å; K107-V110 PolarHBondContact O-N 2.79Å; K107-V110 VanDerWaalsContact O-N 3.14Å; K107-F111 HydrophobicContact CB-CD2 4.49Å; K107-F111 HydrophobicContact CB-CE2 4.05Å; K107-F111 VanDerWaalsContact O-CD2 3.25Å; K107-F111 WeakPolarHBondContact O-CD2 3.41Å; K107-F111 WeakPolarHBondContact O-CG 3.49Å; K107-F111 PolarHBondContact O-N 3.21Å; K107-W168 HydrophobicContact CB-CH2 4.05Å; K107-W168 HydrophobicContact CB-CZ2 4.41Å; K107-W168 HydrophobicContact CB-CZ3 4.24Å; K107-W168 HydrophobicContact CD-CZ2 4.35Å; K107-W168 HydrophobicContact CG-CD2 3.95Å; K107-W168 HydrophobicContact CG-CE3 3.86Å; K107-W168 HydrophobicContact CG-CH2 3.78Å; K107-W168 HydrophobicContact CG-CZ2 3.87Å; K107-W168 HydrophobicContact CG-CZ3 3.77Å
108Q94Very high95.4Very high34 Ų3438.4 Ų38.416%0.15917%0.165CC..Hα-helixtrans-57.8-48.2179.4-172.252.847.900110.8I63 E66 Q104 A105 V110 F111 S112I63-Q108 WeakPolarHBondContact O-CG 3.43Å; E66-Q108 HydrophobicContact CB-CG 4.25Å; E66-Q108 VanDerWaalsContact CB-NE2 3.31Å; E66-Q108 PolarHBondContact OE1-NE2 2.77Å; E66-Q108 PolarHBondContact OE2-NE2 3Å; Q104-Q108 WeakPolarHBondContact O-CB 3.25Å; Q104-Q108 PolarHBondContact O-N 2.9Å; A105-Q108 PolarHBondContact O-N 3.5Å; Q108-V110 VanDerWaalsContact C-N 3.33Å; Q108-V110 PolarHBondContact O-N 2.73Å; Q108-F111 PolarHBondContact O-N 3.18Å; Q108-S112 PolarHBondContact O-N 3.04Å; Q108-S112 PolarHBondContact O-OG 3.4Å
109L96.3Very high95.4Very high1 Ų140.5 Ų40.51%0.00518%0.179CC..Hα-helixtrans-54.4-48.5174178.462.4000111.8T11 I63 I69 L73 V79 H81 A105 K107 F111 S112 M113T11-L109 HydrophobicContact CG2-CD1 4.1Å; T11-L109 HydrophobicContact CG2-CD2 3.91Å; I63-L109 HydrophobicContact CG2-CB 4.01Å; I69-L109 HydrophobicContact CD1-CD1 4.47Å; L73-L109 HydrophobicContact CD1-CD1 4.39Å; L73-L109 HydrophobicContact CD2-CD1 4.37Å; V79-L109 HydrophobicContact CG1-CD1 4.34Å; V79-L109 HydrophobicContact CG1-CD2 4.09Å; H81-L109 HydrophobicContact CB-CD2 3.82Å; A105-L109 WeakPolarHBondContact O-CB 3.45Å; A105-L109 PolarHBondContact O-N 3.08Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-L109 PolarHBondContact O-N 2.95Å; L109-F111 PolarHBondContact O-N 3.11Å; L109-S112 PolarHBondContact O-N 2.7Å; L109-M113 HydrophobicContact CD1-CG 4.39Å; L109-M113 HydrophobicContact CG-CG 4.45Å; L109-M113 HydrophobicContact CG-SD 4.16Å; L109-M113 VanDerWaalsContact O-CG 3.22Å; L109-M113 WeakPolarHBondContact O-CG 3.06Å; L109-M113 PolarHBondContact O-N 2.56Å
110V95.4Very high95.4Very high1 Ų141.6 Ų41.61%0.00618%0.183CC..Hα-helixtrans-65.9-37.8179.9175.80000112T106 K107 Q108 M113 V114 L121 W168 L169 P175 F177 V183T106-V110 WeakPolarHBondContact O-CG2 3.39Å; T106-V110 PolarHBondContact O-N 3.22Å; T106-V110 VanDerWaalsContact O-N 3.15Å; K107-V110 PolarHBondContact O-N 2.79Å; K107-V110 VanDerWaalsContact O-N 3.14Å; Q108-V110 VanDerWaalsContact C-N 3.33Å; Q108-V110 PolarHBondContact O-N 2.73Å; V110-M113 WeakPolarHBondContact O-CB 3.34Å; V110-M113 PolarHBondContact O-N 2.72Å; V110-V114 WeakPolarHBondContact O-CG2 3.4Å; V110-V114 PolarHBondContact O-N 2.99Å; V110-L121 HydrophobicContact CG2-CD2 3.91Å; V110-W168 HydrophobicContact CB-CH2 3.82Å; V110-W168 HydrophobicContact CB-CZ3 3.94Å; V110-W168 HydrophobicContact CG1-CH2 3.9Å; V110-W168 HydrophobicContact CG1-CZ3 4.26Å; V110-W168 HydrophobicContact CG2-CH2 4.28Å; V110-W168 HydrophobicContact CG2-CZ3 3.87Å; V110-L169 HydrophobicContact CG2-CD2 3.65Å; V110-P175 HydrophobicContact CG1-CG 4.18Å; V110-F177 HydrophobicContact CG1-CE2 4.14Å; V110-F177 HydrophobicContact CG1-CZ 3.59Å; V110-V183 HydrophobicContact CG1-CB 4.41Å; V110-V183 HydrophobicContact CG1-CG2 4.08Å
111F93.7Very high95.5Very high87 Ų8738.7 Ų38.738%0.38217%0.169SC..Hα-helixtrans-60.2-46173.6-66-44.3000111.4K107 Q108 L109 V114 R115 F177K107-F111 HydrophobicContact CB-CD2 4.49Å; K107-F111 HydrophobicContact CB-CE2 4.05Å; K107-F111 VanDerWaalsContact O-CD2 3.25Å; K107-F111 WeakPolarHBondContact O-CD2 3.41Å; K107-F111 WeakPolarHBondContact O-CG 3.49Å; K107-F111 PolarHBondContact O-N 3.21Å; Q108-F111 PolarHBondContact O-N 3.18Å; L109-F111 PolarHBondContact O-N 3.11Å; F111-V114 WeakPolarHBondContact O-CB 3.38Å; F111-V114 PolarHBondContact O-N 3.32Å; F111-R115 WeakPolarHBondContact O-CG 3.44Å; F111-R115 PolarHBondContact O-N 3.23Å; F111-R115 VanDerWaalsContact O-N 3.09Å; F111-F177 HydrophobicContact CD1-CD1 4.2Å; F111-F177 AromaticContact CD1-CE1 3.48Å; F111-F177 HydrophobicContact CD1-CE1 3.48Å; F111-F177 VanDerWaalsContact CD1-CE1 3.48Å; F111-F177 HydrophobicContact CD1-CZ 4.4Å; F111-F177 HydrophobicContact CE1-CD1 4.33Å; F111-F177 AromaticContact CE1-CE1 3.6Å; F111-F177 HydrophobicContact CE1-CE1 3.6Å
112S94.6Very high95.7Very high0 Ų038 Ų380%017%0.165CC..Hα-helixtrans-64.4-40.8175.2-58.80000111.9I69 L73 Q108 L109 V114 R115 H116I69-S112 WeakPolarHBondContact CD1-OG 3.38Å; L73-S112 VanDerWaalsContact CD1-CB 3.43Å; Q108-S112 PolarHBondContact O-N 3.04Å; Q108-S112 PolarHBondContact O-OG 3.4Å; L109-S112 PolarHBondContact O-N 2.7Å; S112-V114 VanDerWaalsContact C-N 3.28Å; S112-V114 PolarHBondContact O-N 3.06Å; S112-R115 WeakPolarHBondContact O-CB 3.48Å; S112-R115 PolarHBondContact O-N 2.81Å; S112-R115 VanDerWaalsContact O-N 3.12Å; S112-R115 PolarHBondContact OG-NH2 3.04Å; S112-H116 PolarHBondContact O-CD2 3.39Å; S112-H116 PolarHBondContact O-N 2.89Å
113M95.5Very high95.7Very high0 Ų037.9 Ų37.90%017%0.165CC..Hα-helixtrans-57.3-41.4174.8-73.1177.271.100112.3V79 L109 V110 H116 R117 I118 Y120 L121 V183V79-M113 HydrophobicContact CB-CE 3.88Å; V79-M113 HydrophobicContact CB-SD 3.96Å; V79-M113 HydrophobicContact CG1-SD 4.49Å; V79-M113 HydrophobicContact CG2-CE 3.62Å; V79-M113 HydrophobicContact CG2-CG 3.91Å; V79-M113 HydrophobicContact CG2-SD 3.73Å; L109-M113 HydrophobicContact CD1-CG 4.39Å; L109-M113 HydrophobicContact CG-CG 4.45Å; L109-M113 HydrophobicContact CG-SD 4.16Å; L109-M113 VanDerWaalsContact O-CG 3.22Å; L109-M113 WeakPolarHBondContact O-CG 3.06Å; L109-M113 PolarHBondContact O-N 2.56Å; V110-M113 WeakPolarHBondContact O-CB 3.34Å; V110-M113 PolarHBondContact O-N 2.72Å; M113-H116 CarbonylContact O-C 3.56Å; M113-H116 PolarHBondContact O-N 3.41Å; M113-R117 PolarHBondContact O-N 3.32Å; M113-I118 HydrophobicContact CB-CB 4.14Å; M113-I118 HydrophobicContact CB-CD1 4.47Å; M113-I118 HydrophobicContact CE-CB 4.07Å; M113-I118 HydrophobicContact CE-CG2 3.79Å; M113-I118 HydrophobicContact CG-CB 4.33Å; M113-I118 HydrophobicContact CG-CD1 4.15Å; M113-I118 PolarHBondContact O-N 3.34Å; M113-Y120 VanDerWaalsContact CE-O 3.3Å; M113-Y120 WeakPolarHBondContact CE-O 3.43Å; M113-L121 HydrophobicContact CE-CB 3.88Å; M113-L121 HydrophobicContact CE-CD1 4.44Å; M113-L121 HydrophobicContact SD-CB 4.33Å; M113-L121 HydrophobicContact SD-CD1 4.06Å; M113-V183 HydrophobicContact CB-CG2 4.01Å; M113-V183 HydrophobicContact CE-CG1 3.56Å; M113-V183 HydrophobicContact CE-CG2 4.33Å; M113-V183 HydrophobicContact SD-CG1 4.35Å
114V94.6Very high95.8Very high22 Ų2236.9 Ų36.913%0.13316%0.161CC..Hα-helixtrans-62.9-47174.9167.20000111.2V110 F111 S112 H116 R117 F177 S181 V183V110-V114 WeakPolarHBondContact O-CG2 3.4Å; V110-V114 PolarHBondContact O-N 2.99Å; F111-V114 WeakPolarHBondContact O-CB 3.38Å; F111-V114 PolarHBondContact O-N 3.32Å; S112-V114 VanDerWaalsContact C-N 3.28Å; S112-V114 PolarHBondContact O-N 3.06Å; V114-H116 VanDerWaalsContact C-N 3.26Å; V114-H116 PolarHBondContact O-N 3.45Å; V114-R117 PolarHBondContact O-N 2.92Å; V114-F177 HydrophobicContact CB-CD2 4.48Å; V114-F177 HydrophobicContact CG1-CB 4.43Å; V114-F177 HydrophobicContact CG1-CD1 4.48Å; V114-F177 HydrophobicContact CG1-CD2 4.35Å; V114-F177 HydrophobicContact CG1-CG 4.13Å; V114-F177 HydrophobicContact CG2-CD1 4.15Å; V114-F177 HydrophobicContact CG2-CD2 3.4Å; V114-F177 VanDerWaalsContact CG2-CD2 3.4Å; V114-F177 HydrophobicContact CG2-CE1 4.06Å; V114-F177 HydrophobicContact CG2-CE2 3.32Å; V114-F177 HydrophobicContact CG2-CG 3.86Å; V114-F177 HydrophobicContact CG2-CZ 3.68Å; V114-S181 WeakPolarHBondContact CG1-OG 3.43Å; V114-V183 HydrophobicContact CG2-CG2 3.95Å
115R93Very high95.9Very high113 Ų11332.4 Ų32.443%0.42614%0.141SC..Hα-helixtrans-57.2-40.1177-69.1-169.7-73126.9-3.5111.9E66 D70 F111 S112 R117E66-R115 IonicContact OE1-CZ 3.26Å; E66-R115 VanDerWaalsContact OE1-CZ 3.23Å; E66-R115 IonicContact OE1-NE 3.6Å; E66-R115 PolarHBondContact OE1-NE 2.64Å; E66-R115 IonicContact OE1-NH2 3.79Å; E66-R115 PolarHBondContact OE1-NH2 2.8Å; D70-R115 IonicContact OD1-CZ 2.74Å; D70-R115 IonicContact OD1-NH1 2.74Å; D70-R115 PolarHBondContact OD1-NH1 3.43Å; D70-R115 VanDerWaalsContact OD1-NH1 3.15Å; D70-R115 IonicContact OD1-NH2 2.6Å; D70-R115 PolarHBondContact OD1-NH2 3.46Å; D70-R115 IonicContact OD2-CZ 2.59Å; D70-R115 IonicContact OD2-NH1 3.17Å; D70-R115 PolarHBondContact OD2-NH1 2.59Å; D70-R115 IonicContact OD2-NH2 3.65Å; F111-R115 WeakPolarHBondContact O-CG 3.44Å; F111-R115 PolarHBondContact O-N 3.23Å; F111-R115 VanDerWaalsContact O-N 3.09Å; S112-R115 WeakPolarHBondContact O-CB 3.48Å; S112-R115 PolarHBondContact O-N 2.81Å; S112-R115 VanDerWaalsContact O-N 3.12Å; S112-R115 PolarHBondContact OG-NH2 3.04Å; R115-R117 VanDerWaalsContact C-N 3.34Å
116H94.7Very high95.9Very high44 Ų4433.3 Ų33.320%0.20415%0.145CC..THydrogen-bonded Turntrans-88.35.1178.4-70.3-76.7000114.5D70 L73 T74 S112 M113 V114 I118D70-H116 WeakPolarHBondContact CA-NE2 3.24Å; D70-H116 VanDerWaalsContact CG-NE2 3.33Å; D70-H116 PolarHBondContact O-CE1 2.74Å; D70-H116 VanDerWaalsContact O-CE1 3.24Å; D70-H116 PolarHBondContact O-NE2 3.17Å; D70-H116 IonicContact OD1-CD2 3.43Å; D70-H116 IonicContact OD1-CE1 3.22Å; D70-H116 IonicContact OD1-NE2 2.78Å; D70-H116 PolarHBondContact OD1-NE2 2.93Å; L73-H116 HydrophobicContact CB-CB 4.24Å; T74-H116 PolarHBondContact OG1-CE1 2.74Å; S112-H116 PolarHBondContact O-CD2 3.39Å; S112-H116 PolarHBondContact O-N 2.89Å; M113-H116 CarbonylContact O-C 3.56Å; M113-H116 PolarHBondContact O-N 3.41Å; V114-H116 VanDerWaalsContact C-N 3.26Å; V114-H116 PolarHBondContact O-N 3.45Å; H116-I118 VanDerWaalsContact C-N 3.27Å; H116-I118 HydrophobicContact CB-CD1 4.09Å; H116-I118 HydrophobicContact CB-CG1 3.98Å; H116-I118 PolarHBondContact O-N 3.19Å
117R94.8Very high95.8Very high226 Ų22633.2 Ų33.285%0.85315%0.145SC*.THydrogen-bonded Turntrans55.237.4-180-55.9179.7178.9157.90.7113.8M113 V114 R115 P119M113-R117 PolarHBondContact O-N 3.32Å; V114-R117 PolarHBondContact O-N 2.92Å; R115-R117 VanDerWaalsContact C-N 3.34Å; R117-P119 VanDerWaalsContact O-CD 3.31Å; R117-P119 WeakPolarHBondContact O-CD 3.28Å
118I96Very high95.7Very high2 Ų231.2 Ų31.21%0.0114%0.136CC..  trans-83.1115.9177.4-52.5172000109.1L73 A76 V79 M113 H116L73-I118 HydrophobicContact CB-CD1 3.8Å; L73-I118 HydrophobicContact CD2-CD1 3.52Å; L73-I118 HydrophobicContact CG-CD1 4.15Å; A76-I118 HydrophobicContact CB-CD1 3.78Å; A76-I118 HydrophobicContact CB-CG1 4.23Å; V79-I118 HydrophobicContact CG2-CD1 4.19Å; V79-I118 HydrophobicContact CG2-CG2 4.17Å; M113-I118 HydrophobicContact CB-CB 4.14Å; M113-I118 HydrophobicContact CB-CD1 4.47Å; M113-I118 HydrophobicContact CE-CB 4.07Å; M113-I118 HydrophobicContact CE-CG2 3.79Å; M113-I118 HydrophobicContact CG-CB 4.33Å; M113-I118 HydrophobicContact CG-CD1 4.15Å; M113-I118 PolarHBondContact O-N 3.34Å; H116-I118 VanDerWaalsContact C-N 3.27Å; H116-I118 HydrophobicContact CB-CD1 4.09Å; H116-I118 HydrophobicContact CB-CG1 3.98Å; H116-I118 PolarHBondContact O-N 3.19Å
119P94.7Very high95.6Very high46 Ų4629.8 Ų29.830%0.29913%0.13SC..  trans-80.3-24.5-169.228.2-34.5000114.9T77 R117 K184T77-P119 WeakPolarHBondContact O-CD 3.37Å; R117-P119 VanDerWaalsContact O-CD 3.31Å; R117-P119 WeakPolarHBondContact O-CD 3.28Å; P119-K184 PolarHBondContact O-N 3.41Å
120Y97.3Very high95.2Very high47 Ų4729.9 Ų29.918%0.18413%0.131CC..EExtended strand (participates in β ladder)trans-125.1133.3-165.9-53.9-57.5000113.3T77 I78 V79 M113 K184 L243 K244 P247T77-Y120 WeakPolarHBondContact O-CD2 3.19Å; I78-Y120 WeakPolarHBondContact CA-O 3.45Å; V79-Y120 PolarHBondContact N-O 3.22Å; M113-Y120 VanDerWaalsContact CE-O 3.3Å; M113-Y120 WeakPolarHBondContact CE-O 3.43Å; Y120-K184 HydrophobicContact CD1-CB 4.12Å; Y120-K184 HydrophobicContact CE1-CB 4.47Å; Y120-K184 HydrophobicContact CE1-CG 4.49Å; Y120-L243 HydrophobicContact CD1-CD2 4.18Å; Y120-L243 HydrophobicContact CD1-CG 3.94Å; Y120-K244 HydrophobicContact CD2-CD 4.34Å; Y120-K244 HydrophobicContact CD2-CG 3.71Å; Y120-K244 HydrophobicContact CE2-CD 4.47Å; Y120-K244 HydrophobicContact CE2-CG 3.71Å; Y120-K244 HydrophobicContact CG-CG 4.19Å; Y120-P247 HydrophobicContact CE1-CB 4.05Å
121L98.3Very high94.9Very high0 Ų030 Ų300%013%0.131CC..EExtended strand (participates in β ladder)trans-128.2128.8173.8176.764.1000110.5V79 H81 V110 M113 L169 V183 K184 V185 I186V79-L121 HydrophobicContact CB-CD1 4.01Å; V79-L121 HydrophobicContact CG1-CD1 4.07Å; V79-L121 CarbonylContact O-C 3.55Å; V79-L121 WeakPolarHBondContact O-CA 3.3Å; H81-L121 HydrophobicContact CB-CD1 3.73Å; V110-L121 HydrophobicContact CG2-CD2 3.91Å; M113-L121 HydrophobicContact CE-CB 3.88Å; M113-L121 HydrophobicContact CE-CD1 4.44Å; M113-L121 HydrophobicContact SD-CB 4.33Å; M113-L121 HydrophobicContact SD-CD1 4.06Å; L121-L169 HydrophobicContact CD2-CD1 4.22Å; L121-L169 HydrophobicContact CD2-CD2 3.77Å; L121-V183 HydrophobicContact CB-CG1 3.59Å; L121-K184 PolarHBondContact N-O 2.74Å; L121-V185 HydrophobicContact CB-CG1 4.37Å; L121-V185 HydrophobicContact CB-CG2 4.17Å; L121-V185 HydrophobicContact CD2-CG1 4.13Å; L121-V185 HydrophobicContact CD2-CG2 4.13Å; L121-V185 HydrophobicContact CG-CG1 4.22Å; L121-V185 VanDerWaalsContact O-CA 3.29Å; L121-V185 WeakPolarHBondContact O-CA 3.21Å; L121-I186 PolarHBondContact O-N 3.21Å
122I98.7Very high94.7Very high0 Ų026 Ų260%012%0.115CC..EExtended strand (participates in β ladder)trans-105.1116.3163.2-53.7-57.9000108.1I78 V79 F80 H81 I186 I188 H236 A239 A240 L243I78-I122 HydrophobicContact CD1-CG1 4.27Å; V79-I122 PolarHBondContact O-N 2.9Å; F80-I122 HydrophobicContact CD1-CB 3.65Å; F80-I122 HydrophobicContact CD1-CG1 3.98Å; F80-I122 HydrophobicContact CD1-CG2 4.1Å; F80-I122 HydrophobicContact CE1-CB 3.98Å; F80-I122 HydrophobicContact CE1-CG1 3.78Å; F80-I122 HydrophobicContact CE1-CG2 4.38Å; H81-I122 PolarHBondContact N-O 3.17Å; I122-I186 WeakPolarHBondContact CA-O 3.44Å; I122-I186 HydrophobicContact CD1-CB 4.06Å; I122-I188 HydrophobicContact CG2-CD1 3.86Å; I122-I188 HydrophobicContact CG2-CG1 4.49Å; I122-H236 HydrophobicContact CG2-CB 4.22Å; I122-H236 VanDerWaalsContact CG2-CD2 3.47Å; I122-H236 WeakPolarHBondContact CG2-CD2 3.31Å; I122-A239 HydrophobicContact CD1-CB 3.97Å; I122-A239 HydrophobicContact CG2-CB 4.4Å; I122-A240 HydrophobicContact CD1-CB 4.27Å; I122-A240 HydrophobicContact CG1-CB 3.95Å; I122-L243 HydrophobicContact CD1-CB 4.44Å; I122-L243 HydrophobicContact CD1-CD2 3.74Å
123Y98.6Very high94.3Very high1 Ų130.4 Ų30.40%0.00413%0.132CC..EExtended strand (participates in β ladder)trans-98.8128.8-177.4178.7-107.7000110.9H81 T106 G125 K162 S165 E166 L169 I186 A187 I188H81-Y123 HydrophobicContact CB-CD2 4.34Å; H81-Y123 AromaticContact CD2-CD2 3.55Å; H81-Y123 AromaticContact CD2-CE2 3.6Å; T106-Y123 HydrophobicContact CG2-CE2 4.27Å; Y123-G125 PolarHBondContact O-N 3.47Å; Y123-K162 WeakPolarHBondContact OH-CE 3.08Å; Y123-K162 PolarHBondContact OH-NZ 3.12Å; Y123-S165 WeakPolarHBondContact OH-CB 3.38Å; Y123-E166 HydrophobicContact CD1-CB 4.44Å; Y123-E166 HydrophobicContact CD1-CG 4.48Å; Y123-E166 HydrophobicContact CE1-CB 4Å; Y123-E166 HydrophobicContact CE1-CG 4.47Å; Y123-L169 HydrophobicContact CD1-CD1 3.94Å; Y123-L169 HydrophobicContact CD2-CD1 3.5Å; Y123-L169 HydrophobicContact CE1-CD1 4.43Å; Y123-L169 HydrophobicContact CE2-CD1 4.03Å; Y123-L169 HydrophobicContact CG-CD1 3.45Å; Y123-L169 VanDerWaalsContact CG-CD1 3.45Å; Y123-I186 PolarHBondContact N-O 2.97Å; Y123-A187 HydrophobicContact CD1-CB 3.93Å; Y123-A187 CarbonylContact O-C 3.56Å; Y123-A187 VanDerWaalsContact O-CA 3.31Å; Y123-A187 WeakPolarHBondContact O-CA 3.31Å; Y123-I188 PolarHBondContact O-N 3.19Å
124T98.5Very high93.8Very high8 Ų834.9 Ų34.95%0.04915%0.153CC..EExtended strand (participates in β ladder)trans-84.4109.8168.2-48.30000109L17 H81 K162 I188 P190 H236L17-T124 HydrophobicContact CD2-CG2 3.6Å; H81-T124 PolarHBondContact O-N 3.38Å; H81-T124 VanDerWaalsContact O-N 3.1Å; H81-T124 PolarHBondContact O-OG1 3.41Å; T124-K162 WeakPolarHBondContact O-CE 3.29Å; T124-K162 PolarHBondContact O-NZ 3.25Å; T124-I188 CarbonylContact C-O 3.59Å; T124-P190 HydrophobicContact CG2-CG 4.02Å; T124-H236 PolarHBondContact OG1-NE2 2.84Å
125G97.1Very high93.6Very high3 Ų337.3 Ų37.33%0.03117%0.165CC..  trans-86.7-149.9167.800000112.4Y123 I188Y123-G125 PolarHBondContact O-N 3.47Å; G125-I188 WeakPolarHBondContact CA-O 3.42Å; G125-I188 PolarHBondContact N-O 3.38Å
126D95.7Very high93.3Very high20 Ų2032 Ų3211%0.10715%0.145CC..  trans-152.4135173.4179.6-62.6000108.4F128 A129 L155 Y158D126-F128 PolarHBondContact O-N 3Å; D126-F128 WeakPolarHBondContact OD1-CA 3.43Å; D126-F128 PolarHBondContact OD1-N 2.96Å; D126-A129 HydrophobicContact CB-CB 3.9Å; D126-A129 PolarHBondContact O-N 3.5Å; D126-A129 PolarHBondContact OD1-N 3.1Å; D126-A129 VanDerWaalsContact OD1-N 3.16Å; D126-L155 WeakPolarHBondContact OD1-CD1 3.15Å; D126-Y158 HydrophobicContact CB-CE1 4.32Å
127A94.4Very high93.1Very high0 Ų032.2 Ų32.20%016%0.155CC..THydrogen-bonded Turntrans-61.5-25.1-175.800000113.9R189 P190 T191 V333A127-R189 HydrophobicContact CB-CB 4.36Å; A127-P190 WeakPolarHBondContact CB-O 3.37Å; A127-P190 PolarHBondContact N-O 2.79Å; A127-T191 HydrophobicContact CB-CG2 3.95Å; A127-V333 HydrophobicContact CB-CG1 4.06Å; A127-V333 HydrophobicContact CB-CG2 4.39Å
128F92.7Very high92.8Very high0 Ų022.9 Ų22.90%013%0.129CC..THydrogen-bonded Turntrans-112.9-1.4-173.6-47.4-47.5000113D126 S130 L131 L155 T191 Y325 L331 V333D126-F128 PolarHBondContact O-N 3Å; D126-F128 WeakPolarHBondContact OD1-CA 3.43Å; D126-F128 PolarHBondContact OD1-N 2.96Å; F128-S130 PolarHBondContact O-N 2.6Å; F128-S130 VanDerWaalsContact O-N 3.16Å; F128-L131 HydrophobicContact CB-CD1 3.92Å; F128-L131 HydrophobicContact CD1-CD1 3.69Å; F128-L131 HydrophobicContact CG-CD1 4.23Å; F128-L131 PolarHBondContact O-N 3.17Å; F128-L131 VanDerWaalsContact O-N 3.1Å; F128-L155 HydrophobicContact CB-CD1 4.09Å; F128-L155 HydrophobicContact CB-CG 4.42Å; F128-T191 HydrophobicContact CZ-CG2 4.04Å; F128-Y325 AromaticContact CD2-CE2 3.65Å; F128-Y325 HydrophobicContact CD2-CE2 3.65Å; F128-Y325 HydrophobicContact CE2-CE2 4.11Å; F128-Y325 HydrophobicContact CG-CE2 4.41Å; F128-L331 HydrophobicContact CD1-CB 4.36Å; F128-L331 HydrophobicContact CD1-CD2 4.39Å; F128-L331 HydrophobicContact CE1-CB 3.78Å; F128-L331 HydrophobicContact CE2-CB 4.34Å; F128-L331 HydrophobicContact CZ-CB 3.76Å; F128-L331 WeakPolarHBondContact CZ-O 3.26Å; F128-V333 HydrophobicContact CE1-CG1 4.06Å
129A92.4Very high92.5Very high5 Ų525.5 Ų25.54%0.04114%0.143CC..THydrogen-bonded Turntrans-58.3-28.6178.400000113.7D126 W153 G159 K162D126-A129 HydrophobicContact CB-CB 3.9Å; D126-A129 PolarHBondContact O-N 3.5Å; D126-A129 PolarHBondContact OD1-N 3.1Å; D126-A129 VanDerWaalsContact OD1-N 3.16Å; A129-W153 VanDerWaalsContact O-CE3 3.22Å; A129-W153 WeakPolarHBondContact O-CZ3 3.42Å; A129-G159 CarbonylContact O-C 3.58Å; A129-K162 HydrophobicContact CB-CB 3.75Å
130S89Confident92.4Very high2 Ų225 Ų251%0.01414%0.141CC..THydrogen-bonded Turntrans-9717.6-179.6800000113.5F128 T144 I148 Y163F128-S130 PolarHBondContact O-N 2.6Å; F128-S130 VanDerWaalsContact O-N 3.16Å; S130-T144 WeakPolarHBondContact CB-O 3.33Å; S130-T144 VanDerWaalsContact O-O 3.13Å; S130-T144 WeakPolarHBondContact OG-CB 3.35Å; S130-T144 PolarHBondContact OG-O 3.41Å; S130-T144 PolarHBondContact OG-OG1 3.29Å; S130-T144 VanDerWaalsContact OG-OG1 3.1Å; S130-I148 WeakPolarHBondContact O-CD1 3.4Å; S130-I148 WeakPolarHBondContact O-CG1 3.26Å; S130-Y163 VanDerWaalsContact CB-CD2 3.5Å
131L89.3Confident92Very high3 Ų323.5 Ų23.52%0.01614%0.135CC..  trans-101.7142.5-179-60.3179.9000111.6F128 C136 T144 L154 L331F128-L131 HydrophobicContact CB-CD1 3.92Å; F128-L131 HydrophobicContact CD1-CD1 3.69Å; F128-L131 HydrophobicContact CG-CD1 4.23Å; F128-L131 PolarHBondContact O-N 3.17Å; F128-L131 VanDerWaalsContact O-N 3.1Å; L131-C136 HydrophobicContact CD1-CB 3.45Å; L131-C136 VanDerWaalsContact CD1-CB 3.45Å; L131-C136 HydrophobicContact CD2-CB 4.14Å; L131-C136 HydrophobicContact CG-CB 4.46Å; L131-T144 HydrophobicContact CD2-CG2 4.07Å; L131-L154 HydrophobicContact CB-CB 4.29Å; L131-L154 HydrophobicContact CB-CD2 4.36Å; L131-L154 HydrophobicContact CD1-CD2 4.44Å; L131-L154 PolarHBondContact O-N 3.33Å; L131-L331 HydrophobicContact CD1-CD2 3.94Å
132G87.8Confident91.2Very high4 Ų431.3 Ų31.34%0.04117%0.169CC..  trans-81.1-154.2158.200000111.2E134 L154G132-E134 WeakPolarHBondContact CA-OE2 3.41Å; G132-E134 PolarHBondContact N-OE1 2.94Å; G132-E134 PolarHBondContact O-N 3.25Å; G132-E134 VanDerWaalsContact O-N 3.17Å; G132-L154 WeakPolarHBondContact O-CB 3.19Å
133Y87.3Confident90.2Very high92 Ų9233.7 Ų33.736%0.36119%0.186SC..SBendtrans-87.637.8177-61.9-73.3000112.2L154 S321 I324 H329Y133-L154 HydrophobicContact CD1-CD1 4.01Å; Y133-L154 HydrophobicContact CE1-CD1 4.32Å; Y133-S321 PolarHBondContact OH-OG 2.78Å; Y133-I324 HydrophobicContact CD1-CB 4.44Å; Y133-I324 HydrophobicContact CD1-CD1 3.66Å; Y133-I324 HydrophobicContact CD1-CG2 3.94Å; Y133-I324 HydrophobicContact CE1-CD1 3.74Å; Y133-H329 VanDerWaalsContact C-NE2 3.29Å; Y133-H329 PolarHBondContact O-CE1 2.9Å; Y133-H329 PolarHBondContact O-NE2 3.39Å
134E85.6Confident88.7Confident95 Ų9534 Ų3444%0.44419%0.188SC..SBendtrans-108.1157.617661-89.7170.800111.6G132G132-E134 WeakPolarHBondContact CA-OE2 3.41Å; G132-E134 PolarHBondContact N-OE1 2.94Å; G132-E134 PolarHBondContact O-N 3.25Å; G132-E134 VanDerWaalsContact O-N 3.17Å
135D88.7Confident87.2Confident73 Ų7336.4 Ų36.439%0.3920%0.203SC..  trans-66.5141.3174-70-37.4000111.6H329 Y330D135-H329 WeakPolarHBondContact OD1-CA 3.47Å; D135-H329 IonicContact OD1-CE1 3.57Å; D135-H329 IonicContact OD1-CG 2.74Å; D135-H329 IonicContact OD1-ND1 3.75Å; D135-H329 PolarHBondContact OD1-ND1 3.36Å; D135-Y330 PolarHBondContact OD1-N 3.1Å
136C88.1Confident85.5Confident0 Ų044 Ų440%024%0.235CC..EExtended strand (participates in β ladder)trans-112.382.2168.9-175.40000108.2L131 G138 L139 Y330 L331 Y332L131-C136 HydrophobicContact CD1-CB 3.45Å; L131-C136 VanDerWaalsContact CD1-CB 3.45Å; L131-C136 HydrophobicContact CD2-CB 4.14Å; L131-C136 HydrophobicContact CG-CB 4.46Å; C136-G138 PolarHBondContact O-N 2.82Å; C136-L139 HydrophobicContact CB-CD1 4.4Å; C136-Y330 CarbonylContact C-O 3.5Å; C136-Y330 WeakPolarHBondContact CA-O 3.3Å; C136-Y330 PolarHBondContact N-O 2.74Å; C136-L331 HydrophobicContact CB-CD2 4.04Å; C136-Y332 CarbonylContact O-C 3.58Å; C136-Y332 PolarHBondContact O-N 3.29Å
137A90.3Very high83.5Confident50 Ų5048.8 Ų48.841%0.41327%0.27SS..EExtended strand (participates in β ladder)trans-97.682.4-177.500000110.8Y332A137-Y332 VanDerWaalsContact C-CE2 3.44Å; A137-Y332 VanDerWaalsContact CA-CZ 3.49Å; A137-Y332 HydrophobicContact CB-CE1 4.07Å; A137-Y332 HydrophobicContact CB-CE2 4.34Å; A137-Y332 WeakPolarHBondContact CB-OH 3.34Å
138G88.8Confident81.8Confident30 Ų3049.7 Ų49.731%0.30927%0.274SS..EExtended strand (participates in β ladder)trans74.826.9176.700000113.6C136 Y332 N334C136-G138 PolarHBondContact O-N 2.82Å; G138-Y332 WeakPolarHBondContact CA-O 3.43Å; G138-Y332 PolarHBondContact N-O 3.31Å; G138-N334 WeakPolarHBondContact O-CB 3.48Å
139L89.4Confident80.4Confident57 Ų5753 Ų5330%0.29829%0.292SS..EExtended strand (participates in β ladder)trans-71.5146.9-179.4-61-176000111.7C136 T144 N334C136-L139 HydrophobicContact CB-CD1 4.4Å; L139-T144 HydrophobicContact CB-CG2 3.85Å; L139-T144 HydrophobicContact CD1-CG2 4.31Å; L139-N334 PolarHBondContact O-N 2.99Å
140S91.5Very high79.3Confident36 Ų3660 Ų6025%0.25232%0.317SS..  trans-87.5167.2172.373.40000111.6K142 S143 T144S140-K142 PolarHBondContact O-N 3.09Å; S140-S143 WeakPolarHBondContact O-CB 3.48Å; S140-S143 PolarHBondContact O-N 3.3Å; S140-S143 PolarHBondContact OG-OG 3.32Å; S140-T144 PolarHBondContact O-N 2.78Å
141E89.8Confident78.5Confident14 Ų1468.6 Ų68.67%0.06535%0.349CS..THydrogen-bonded Turntrans-58.1-32.1178.8-54.185.1170.800112.7T144 T145 V254 V255 N256E141-T144 PolarHBondContact O-OG1 2.71Å; E141-T145 WeakPolarHBondContact O-CG2 3.37Å; E141-T145 PolarHBondContact O-OG1 3.45Å; E141-V254 HydrophobicContact CG-CG1 4.45Å; E141-V254 WeakPolarHBondContact CG-O 3.25Å; E141-V255 WeakPolarHBondContact OE1-CA 3.48Å; E141-N256 HydrophobicContact CG-CB 4.45Å; E141-N256 PolarHBondContact OE1-N 3.22Å
142K81.7Confident78.2Confident164 Ų16474.7 Ų74.771%0.71337%0.373SS*.THydrogen-bonded Turntrans-72.5-28.6175.3-69.6-173.9179.3179.20112.8S140 T145S140-K142 PolarHBondContact O-N 3.09Å; K142-T145 PolarHBondContact O-OG1 3.1Å
143S76.8Confident78.3Confident51 Ų5175.2 Ų75.236%0.35737%0.374SS..THydrogen-bonded Turntrans-78.8-40.1-178.3-58.60000111.1S140 T145 K146S140-S143 WeakPolarHBondContact O-CB 3.48Å; S140-S143 PolarHBondContact O-N 3.3Å; S140-S143 PolarHBondContact OG-OG 3.32Å; S143-T145 PolarHBondContact O-N 3.12Å; S143-K146 PolarHBondContact O-N 2.83Å
144T68.4Low78.5Confident6 Ų670.8 Ų70.84%0.03736%0.357CS..THydrogen-bonded Turntrans-74.4-7.1-176700000113.9S130 L131 L139 S140 E141 R189S130-T144 WeakPolarHBondContact CB-O 3.33Å; S130-T144 VanDerWaalsContact O-O 3.13Å; S130-T144 WeakPolarHBondContact OG-CB 3.35Å; S130-T144 PolarHBondContact OG-O 3.41Å; S130-T144 PolarHBondContact OG-OG1 3.29Å; S130-T144 VanDerWaalsContact OG-OG1 3.1Å; L131-T144 HydrophobicContact CD2-CG2 4.07Å; L139-T144 HydrophobicContact CB-CG2 3.85Å; L139-T144 HydrophobicContact CD1-CG2 4.31Å; S140-T144 PolarHBondContact O-N 2.78Å; E141-T144 PolarHBondContact O-OG1 2.71Å; T144-R189 PolarHBondContact OG1-NH1 3.22Å
145T66.8Low78.8Confident60 Ų6066.5 Ų66.537%0.36834%0.337SS..THydrogen-bonded Turntrans-97-5.2179.348.20000113.7E141 K142 S143 S147E141-T145 WeakPolarHBondContact O-CG2 3.37Å; E141-T145 PolarHBondContact O-OG1 3.45Å; K142-T145 PolarHBondContact O-OG1 3.1Å; S143-T145 PolarHBondContact O-N 3.12Å; T145-S147 PolarHBondContact O-N 2.83Å
146K62Low79Confident163 Ų16364.1 Ų64.171%0.70932%0.322SS*.SBendtrans-77.4123.3179.9-72.8-174.6178-179.70111.1S143 I148S143-K146 PolarHBondContact O-N 2.83Å; K146-I148 PolarHBondContact O-N 3.35Å
147S52.1Low79.2Confident119 Ų11966 Ų6683%0.83233%0.331SS*.  trans23.661.2169.371.90000116.6T145 D149T145-S147 PolarHBondContact O-N 2.83Å; S147-D149 PolarHBondContact O-N 3.19Å
148I59.3Low79.5Confident19 Ų1965 Ų6510%0.09732%0.317CS..  trans-57.4129.2155.8-49159000105.4S130 K146 R150 Y152 W153 Y163S130-I148 WeakPolarHBondContact O-CD1 3.4Å; S130-I148 WeakPolarHBondContact O-CG1 3.26Å; K146-I148 PolarHBondContact O-N 3.35Å; I148-R150 WeakPolarHBondContact O-CG 3.49Å; I148-R150 PolarHBondContact O-N 2.83Å; I148-Y152 WeakPolarHBondContact CG2-O 3.31Å; I148-W153 HydrophobicContact CD1-CH2 4.32Å; I148-W153 HydrophobicContact CD1-CZ3 3.9Å; I148-Y163 HydrophobicContact CD1-CD2 4.44Å; I148-Y163 HydrophobicContact CD1-CE2 4.24Å
149D63.7Low79.7Confident70 Ų7063.6 Ų63.637%0.37430%0.302SS..  trans-60.896.6157-179.2-2.6000106.5S147 R151 Y152S147-D149 PolarHBondContact O-N 3.19Å; D149-R151 VanDerWaalsContact CG-NE 3.29Å; D149-R151 PolarHBondContact O-N 2.93Å; D149-R151 WeakPolarHBondContact OD1-CB 3.35Å; D149-R151 VanDerWaalsContact OD1-CG 3.27Å; D149-R151 WeakPolarHBondContact OD1-CG 3.49Å; D149-R151 IonicContact OD1-CZ 2.75Å; D149-R151 PolarHBondContact OD1-N 3.29Å; D149-R151 IonicContact OD1-NE 3.81Å; D149-R151 PolarHBondContact OD1-NE 3.44Å; D149-R151 IonicContact OD1-NH2 3.69Å; D149-R151 IonicContact OD2-CZ 3.22Å; D149-R151 IonicContact OD2-NE 2.75Å; D149-R151 PolarHBondContact OD2-NE 2.99Å; D149-R151 IonicContact OD2-NH2 3.39Å; D149-R151 PolarHBondContact OD2-NH2 3.42Å; D149-Y152 PolarHBondContact O-N 2.86Å
150R68.5Low80Confident152 Ų15261.5 Ų61.557%0.57429%0.291SS*.THydrogen-bonded Turntrans-59.85.9-171.1-62.8-177.4175.1174.7-2.3114.1I148 W153I148-R150 WeakPolarHBondContact O-CG 3.49Å; I148-R150 PolarHBondContact O-N 2.83Å; R150-W153 HydrophobicContact CB-CZ2 4.36Å; R150-W153 PolarHBondContact O-NE1 2.92Å
151R72.9Confident80.2Confident182 Ų18259.8 Ų59.869%0.68728%0.279SS*.THydrogen-bonded Turntrans-81.2-23.1169.8-63.2-177.3-70.4179.40.8113.2D149D149-R151 VanDerWaalsContact CG-NE 3.29Å; D149-R151 PolarHBondContact O-N 2.93Å; D149-R151 WeakPolarHBondContact OD1-CB 3.35Å; D149-R151 VanDerWaalsContact OD1-CG 3.27Å; D149-R151 WeakPolarHBondContact OD1-CG 3.49Å; D149-R151 IonicContact OD1-CZ 2.75Å; D149-R151 PolarHBondContact OD1-N 3.29Å; D149-R151 IonicContact OD1-NE 3.81Å; D149-R151 PolarHBondContact OD1-NE 3.44Å; D149-R151 IonicContact OD1-NH2 3.69Å; D149-R151 IonicContact OD2-CZ 3.22Å; D149-R151 IonicContact OD2-NE 2.75Å; D149-R151 PolarHBondContact OD2-NE 2.99Å; D149-R151 IonicContact OD2-NH2 3.39Å; D149-R151 PolarHBondContact OD2-NH2 3.42Å
152Y82.6Confident80.5Confident131 Ų13159.5 Ų59.551%0.51428%0.277SS..  trans-132130.5-175.3-52.6-74.1000112I148 D149I148-Y152 WeakPolarHBondContact CG2-O 3.31Å; D149-Y152 PolarHBondContact O-N 2.86Å
153W89.4Confident81.1Confident15 Ų1552.5 Ų52.56%0.05725%0.246CC..  trans-129.3130-177.6-56.386.2000108.7A129 I148 R150 L155 R156 E160 Y163A129-W153 VanDerWaalsContact O-CE3 3.22Å; A129-W153 WeakPolarHBondContact O-CZ3 3.42Å; I148-W153 HydrophobicContact CD1-CH2 4.32Å; I148-W153 HydrophobicContact CD1-CZ3 3.9Å; R150-W153 HydrophobicContact CB-CZ2 4.36Å; R150-W153 PolarHBondContact O-NE1 2.92Å; W153-L155 VanDerWaalsContact C-N 3.29Å; W153-L155 PolarHBondContact O-N 3.34Å; W153-R156 VanDerWaalsContact CB-O 3.3Å; W153-R156 WeakPolarHBondContact CB-O 3.46Å; W153-R156 WeakPolarHBondContact O-CA 3.5Å; W153-R156 PolarHBondContact O-N 3.12Å; W153-E160 HydrophobicContact CD2-CB 3.73Å; W153-E160 HydrophobicContact CD2-CG 4.37Å; W153-E160 HydrophobicContact CE3-CB 4.33Å; W153-E160 HydrophobicContact CG-CB 3.98Å; W153-E160 HydrophobicContact CH2-CG 4.49Å; W153-E160 HydrophobicContact CZ2-CB 4.03Å; W153-E160 HydrophobicContact CZ2-CG 3.75Å; W153-Y163 AromaticContact CH2-CD1 3.35Å; W153-Y163 HydrophobicContact CH2-CD1 3.35Å; W153-Y163 HydrophobicContact CH2-CD2 4.48Å; W153-Y163 AromaticContact CH2-CE1 3.98Å; W153-Y163 HydrophobicContact CH2-CE1 3.98Å; W153-Y163 AromaticContact CH2-CG 3.64Å; W153-Y163 HydrophobicContact CH2-CG 3.64Å; W153-Y163 HydrophobicContact CZ2-CD1 4.48Å; W153-Y163 VanDerWaalsContact CZ3-CB 3.49Å; W153-Y163 AromaticContact CZ3-CD1 3.8Å; W153-Y163 HydrophobicContact CZ3-CD1 3.8Å; W153-Y163 HydrophobicContact CZ3-CD2 4.2Å; W153-Y163 AromaticContact CZ3-CG 3.55Å; W153-Y163 HydrophobicContact CZ3-CG 3.55Å
154L91.4Very high81.9Confident0 Ų054 Ų540%025%0.245CC..THydrogen-bonded Turntrans-55.6-48.2176.2-178.657000111L131 G132 Y133 R156 S321 I324 Y325 L331L131-L154 HydrophobicContact CB-CB 4.29Å; L131-L154 HydrophobicContact CB-CD2 4.36Å; L131-L154 HydrophobicContact CD1-CD2 4.44Å; L131-L154 PolarHBondContact O-N 3.33Å; G132-L154 WeakPolarHBondContact O-CB 3.19Å; Y133-L154 HydrophobicContact CD1-CD1 4.01Å; Y133-L154 HydrophobicContact CE1-CD1 4.32Å; L154-R156 PolarHBondContact O-N 3.4Å; L154-S321 WeakPolarHBondContact O-CB 3.18Å; L154-I324 HydrophobicContact CD1-CG2 3.85Å; L154-Y325 HydrophobicContact CD2-CD2 4.08Å; L154-Y325 HydrophobicContact CG-CD2 4.42Å; L154-L331 HydrophobicContact CD2-CD1 4.01Å; L154-L331 HydrophobicContact CD2-CD2 4Å
155L92.7Very high83.3Confident4 Ų453.8 Ų53.82%0.02124%0.243CC..THydrogen-bonded Turntrans-90.120.7177-52.1-177000112.6F87 D126 F128 W153 Y158 G159 Y325F87-L155 HydrophobicContact CD2-CB 4.18Å; F87-L155 WeakPolarHBondContact CD2-O 3.08Å; F87-L155 HydrophobicContact CE2-CB 4.43Å; D126-L155 WeakPolarHBondContact OD1-CD1 3.15Å; F128-L155 HydrophobicContact CB-CD1 4.09Å; F128-L155 HydrophobicContact CB-CG 4.42Å; W153-L155 VanDerWaalsContact C-N 3.29Å; W153-L155 PolarHBondContact O-N 3.34Å; L155-Y158 HydrophobicContact CB-CD1 3.88Å; L155-Y158 HydrophobicContact CD1-CD1 3.82Å; L155-Y158 HydrophobicContact CD1-CE1 3.83Å; L155-Y158 WeakPolarHBondContact O-CB 3.22Å; L155-Y158 PolarHBondContact O-N 3.44Å; L155-G159 PolarHBondContact O-N 3.24Å; L155-Y325 HydrophobicContact CD2-CD1 3.98Å; L155-Y325 HydrophobicContact CD2-CD2 3.91Å; L155-Y325 HydrophobicContact CD2-CE1 4.04Å; L155-Y325 HydrophobicContact CD2-CE2 4.01Å; L155-Y325 HydrophobicContact CD2-CG 3.92Å
156R92.2Very high84.6Confident23 Ų2351.4 Ų51.49%0.08723%0.228CC..Hα-helixtrans49.3-136.7176.4-51.3169.546.6-175.17.9113.2F87 G90 W153 L154 Y158 G159 E160 N319 S321F87-R156 HydrophobicContact CE2-CG 4.35Å; G90-R156 PolarHBondContact O-NH1 3.01Å; W153-R156 VanDerWaalsContact CB-O 3.3Å; W153-R156 WeakPolarHBondContact CB-O 3.46Å; W153-R156 WeakPolarHBondContact O-CA 3.5Å; W153-R156 PolarHBondContact O-N 3.12Å; L154-R156 PolarHBondContact O-N 3.4Å; R156-Y158 PolarHBondContact O-N 3.18Å; R156-G159 PolarHBondContact O-N 2.9Å; R156-G159 VanDerWaalsContact O-N 3.15Å; R156-E160 PolarHBondContact O-N 3.16Å; R156-N319 PolarHBondContact NH1-ND2 3.37Å; R156-S321 VanDerWaalsContact CG-OG 3.26Å; R156-S321 WeakPolarHBondContact CG-OG 3.18Å
157E93.4Very high86.1Confident41 Ų4147.4 Ų47.419%0.19221%0.214CC..Hα-helixtrans-59.5-32.7-178.1-6278.5-17500113A93 R95 F98 S161A93-E157 HydrophobicContact CB-CG 4.42Å; A93-E157 VanDerWaalsContact CB-OE2 3.29Å; A93-E157 WeakPolarHBondContact CB-OE2 3.48Å; R95-E157 HydrophobicContact CB-CB 4.35Å; R95-E157 HydrophobicContact CB-CG 3.5Å; R95-E157 HydrophobicContact CG-CB 4.36Å; R95-E157 HydrophobicContact CG-CG 3.77Å; F98-E157 HydrophobicContact CB-CB 4.06Å; F98-E157 HydrophobicContact CD2-CB 3.66Å; F98-E157 HydrophobicContact CE2-CB 4.36Å; F98-E157 HydrophobicContact CG-CB 3.92Å; E157-S161 WeakPolarHBondContact O-CB 3.25Å; E157-S161 PolarHBondContact O-N 3.37Å; E157-S161 PolarHBondContact O-OG 2.91Å
158Y95.4Very high88.1Confident29 Ų2944.3 Ų44.311%0.11418%0.184CC..Hα-helixtrans-62.5-53.7172.7171.5-98.7000110.8R85 F87 F98 D126 L155 R156 E160 S161 K162R85-Y158 WeakPolarHBondContact O-CD2 3.39Å; R85-Y158 WeakPolarHBondContact O-CE2 3.2Å; F87-Y158 HydrophobicContact CB-CD1 4.02Å; F87-Y158 HydrophobicContact CB-CG 3.99Å; F98-Y158 HydrophobicContact CD1-CD2 4.43Å; F98-Y158 HydrophobicContact CE1-CD2 4.07Å; F98-Y158 HydrophobicContact CE1-CG 4.36Å; D126-Y158 HydrophobicContact CB-CE1 4.32Å; L155-Y158 HydrophobicContact CB-CD1 3.88Å; L155-Y158 HydrophobicContact CD1-CD1 3.82Å; L155-Y158 HydrophobicContact CD1-CE1 3.83Å; L155-Y158 WeakPolarHBondContact O-CB 3.22Å; L155-Y158 PolarHBondContact O-N 3.44Å; R156-Y158 PolarHBondContact O-N 3.18Å; Y158-E160 VanDerWaalsContact C-N 3.32Å; Y158-E160 PolarHBondContact O-N 3.34Å; Y158-S161 PolarHBondContact O-N 3.33Å; Y158-S161 VanDerWaalsContact O-N 3.1Å; Y158-S161 PolarHBondContact O-OG 3.42Å; Y158-K162 HydrophobicContact CD1-CG 4.41Å; Y158-K162 HydrophobicContact CD2-CG 4.2Å; Y158-K162 HydrophobicContact CE1-CG 4.01Å; Y158-K162 HydrophobicContact CE2-CD 4Å; Y158-K162 HydrophobicContact CE2-CG 3.78Å; Y158-K162 WeakPolarHBondContact O-CG 3.48Å; Y158-K162 PolarHBondContact O-N 3.39Å
159G94.4Very high89.9Confident0 Ų043.4 Ų43.40%018%0.18CC..Hα-helixtrans-56.6-46.6178.500000112A129 L155 R156 S161 K162 Y163A129-G159 CarbonylContact O-C 3.58Å; L155-G159 PolarHBondContact O-N 3.24Å; R156-G159 PolarHBondContact O-N 2.9Å; R156-G159 VanDerWaalsContact O-N 3.15Å; G159-S161 VanDerWaalsContact C-N 3.33Å; G159-S161 PolarHBondContact O-N 3.17Å; G159-K162 PolarHBondContact O-N 3.19Å; G159-Y163 WeakPolarHBondContact O-CB 3.13Å; G159-Y163 PolarHBondContact O-N 3.39Å
160E94.4Very high91.3Very high12 Ų1241.1 Ų41.16%0.05617%0.169CC..Hα-helixtrans-55.3-48.2175-177.7175-16700112R95 M99 W153 R156 Y158 R164R95-E160 IonicContact CZ-OE1 3.33Å; R95-E160 IonicContact CZ-OE2 2.8Å; R95-E160 IonicContact NE-OE1 3.15Å; R95-E160 IonicContact NE-OE2 3.81Å; R95-E160 PolarHBondContact NE-OE2 3.37Å; R95-E160 VanDerWaalsContact NH2-CD 3.34Å; R95-E160 IonicContact NH2-OE1 2.92Å; R95-E160 PolarHBondContact NH2-OE1 2.81Å; R95-E160 IonicContact NH2-OE2 2.69Å; R95-E160 PolarHBondContact NH2-OE2 3.41Å; M99-E160 HydrophobicContact CE-CG 4.19Å; W153-E160 HydrophobicContact CD2-CB 3.73Å; W153-E160 HydrophobicContact CD2-CG 4.37Å; W153-E160 HydrophobicContact CE3-CB 4.33Å; W153-E160 HydrophobicContact CG-CB 3.98Å; W153-E160 HydrophobicContact CH2-CG 4.49Å; W153-E160 HydrophobicContact CZ2-CB 4.03Å; W153-E160 HydrophobicContact CZ2-CG 3.75Å; R156-E160 PolarHBondContact O-N 3.16Å; Y158-E160 VanDerWaalsContact C-N 3.32Å; Y158-E160 PolarHBondContact O-N 3.34Å; E160-R164 HydrophobicContact CG-CG 4.44Å; E160-R164 WeakPolarHBondContact O-CB 3.44Å; E160-R164 VanDerWaalsContact O-CG 3.24Å; E160-R164 WeakPolarHBondContact O-CG 3.4Å; E160-R164 PolarHBondContact O-N 3.25Å; E160-R164 IonicContact OE1-CZ 3.44Å; E160-R164 VanDerWaalsContact OE1-CZ 3.22Å; E160-R164 IonicContact OE1-NE 3.83Å; E160-R164 PolarHBondContact OE1-NE 2.9Å; E160-R164 IonicContact OE1-NH2 3.23Å; E160-R164 PolarHBondContact OE1-NH2 3.4Å
161S96.2Very high92.2Very high0 Ų036.3 Ų36.30%016%0.159CC..Hα-helixtrans-64.2-44.8-176.973.30000112.3N102 E157 Y158 G159 R164 S165N102-S161 WeakPolarHBondContact CB-OG 3.29Å; N102-S161 PolarHBondContact ND2-OG 3.43Å; E157-S161 WeakPolarHBondContact O-CB 3.25Å; E157-S161 PolarHBondContact O-N 3.37Å; E157-S161 PolarHBondContact O-OG 2.91Å; Y158-S161 PolarHBondContact O-N 3.33Å; Y158-S161 VanDerWaalsContact O-N 3.1Å; Y158-S161 PolarHBondContact O-OG 3.42Å; G159-S161 VanDerWaalsContact C-N 3.33Å; G159-S161 PolarHBondContact O-N 3.17Å; S161-R164 PolarHBondContact O-N 2.94Å; S161-S165 PolarHBondContact O-N 2.67Å; S161-S165 PolarHBondContact O-OG 3.45Å
162K96.3Very high92.3Very high8 Ų837.4 Ų37.44%0.03517%0.168CC..Hα-helixtrans-66.6-43.5178.5-63.9-63.5-69.3-177.80111.8A84 Y123 T124 A129 Y158 G159 R164 S165 E166A84-K162 HydrophobicContact CB-CD 4.48Å; Y123-K162 WeakPolarHBondContact OH-CE 3.08Å; Y123-K162 PolarHBondContact OH-NZ 3.12Å; T124-K162 WeakPolarHBondContact O-CE 3.29Å; T124-K162 PolarHBondContact O-NZ 3.25Å; A129-K162 HydrophobicContact CB-CB 3.75Å; Y158-K162 HydrophobicContact CD1-CG 4.41Å; Y158-K162 HydrophobicContact CD2-CG 4.2Å; Y158-K162 HydrophobicContact CE1-CG 4.01Å; Y158-K162 HydrophobicContact CE2-CD 4Å; Y158-K162 HydrophobicContact CE2-CG 3.78Å; Y158-K162 WeakPolarHBondContact O-CG 3.48Å; Y158-K162 PolarHBondContact O-N 3.39Å; G159-K162 PolarHBondContact O-N 3.19Å; K162-R164 VanDerWaalsContact C-N 3.33Å; K162-R164 PolarHBondContact O-N 2.81Å; K162-S165 PolarHBondContact O-N 2.89Å; K162-E166 WeakPolarHBondContact O-CB 3.32Å; K162-E166 PolarHBondContact O-N 2.92Å
163Y94.2Very high91.9Very high17 Ų1735.7 Ų35.77%0.06717%0.168CC..Hα-helixtrans-60.1-43.6175.4173.4-90.9000111.7S130 I148 W153 G159 E166 N167S130-Y163 VanDerWaalsContact CB-CD2 3.5Å; I148-Y163 HydrophobicContact CD1-CD2 4.44Å; I148-Y163 HydrophobicContact CD1-CE2 4.24Å; W153-Y163 AromaticContact CH2-CD1 3.35Å; W153-Y163 HydrophobicContact CH2-CD1 3.35Å; W153-Y163 HydrophobicContact CH2-CD2 4.48Å; W153-Y163 AromaticContact CH2-CE1 3.98Å; W153-Y163 HydrophobicContact CH2-CE1 3.98Å; W153-Y163 AromaticContact CH2-CG 3.64Å; W153-Y163 HydrophobicContact CH2-CG 3.64Å; W153-Y163 HydrophobicContact CZ2-CD1 4.48Å; W153-Y163 VanDerWaalsContact CZ3-CB 3.49Å; W153-Y163 AromaticContact CZ3-CD1 3.8Å; W153-Y163 HydrophobicContact CZ3-CD1 3.8Å; W153-Y163 HydrophobicContact CZ3-CD2 4.2Å; W153-Y163 AromaticContact CZ3-CG 3.55Å; W153-Y163 HydrophobicContact CZ3-CG 3.55Å; G159-Y163 WeakPolarHBondContact O-CB 3.13Å; G159-Y163 PolarHBondContact O-N 3.39Å; Y163-E166 PolarHBondContact O-N 3.28Å; Y163-N167 HydrophobicContact CE1-CB 4.3Å; Y163-N167 WeakPolarHBondContact O-CB 3.39Å; Y163-N167 PolarHBondContact O-N 3Å
164R94.3Very high91.4Very high84 Ų8435.3 Ų35.332%0.31717%0.169SC..Hα-helixtrans-66.8-41.8179.7-74.1175.9-178.7-83.64.5112.3F103 E160 S161 K162 W168F103-R164 HydrophobicContact CD1-CB 4.31Å; F103-R164 HydrophobicContact CD2-CB 4.05Å; F103-R164 HydrophobicContact CE1-CB 4.35Å; F103-R164 HydrophobicContact CE2-CB 4.1Å; F103-R164 WeakPolarHBondContact CE2-O 3.46Å; F103-R164 HydrophobicContact CG-CB 4.15Å; F103-R164 HydrophobicContact CZ-CB 4.23Å; E160-R164 HydrophobicContact CG-CG 4.44Å; E160-R164 WeakPolarHBondContact O-CB 3.44Å; E160-R164 VanDerWaalsContact O-CG 3.24Å; E160-R164 WeakPolarHBondContact O-CG 3.4Å; E160-R164 PolarHBondContact O-N 3.25Å; E160-R164 IonicContact OE1-CZ 3.44Å; E160-R164 VanDerWaalsContact OE1-CZ 3.22Å; E160-R164 IonicContact OE1-NE 3.83Å; E160-R164 PolarHBondContact OE1-NE 2.9Å; E160-R164 IonicContact OE1-NH2 3.23Å; E160-R164 PolarHBondContact OE1-NH2 3.4Å; S161-R164 PolarHBondContact O-N 2.94Å; K162-R164 VanDerWaalsContact C-N 3.33Å; K162-R164 PolarHBondContact O-N 2.81Å; R164-W168 VanDerWaalsContact O-CB 3.31Å; R164-W168 WeakPolarHBondContact O-CB 3.32Å; R164-W168 PolarHBondContact O-N 2.84Å
165S96.4Very high91.1Very high0 Ų035.9 Ų35.90%017%0.172CC..Hα-helixtrans-56.9-53.6172.3-67.50000111.2N102 F103 T106 Y123 S161 K162 N167 W168 L169N102-S165 PolarHBondContact O-OG 3.48Å; F103-S165 WeakPolarHBondContact CA-OG 3.36Å; T106-S165 PolarHBondContact OG1-OG 3.09Å; Y123-S165 WeakPolarHBondContact OH-CB 3.38Å; S161-S165 PolarHBondContact O-N 2.67Å; S161-S165 PolarHBondContact O-OG 3.45Å; K162-S165 PolarHBondContact O-N 2.89Å; S165-N167 PolarHBondContact O-N 2.76Å; S165-W168 PolarHBondContact O-N 3.16Å; S165-L169 WeakPolarHBondContact O-CB 3.15Å; S165-L169 VanDerWaalsContact O-CG 3.31Å; S165-L169 WeakPolarHBondContact O-CG 3.29Å; S165-L169 PolarHBondContact O-N 2.87Å
166E95.7Very high90.5Very high10 Ų1043.4 Ų43.45%0.04721%0.205CC..Hα-helixtrans-63.6-45.6-177.3-168.3-166.378.700112Y123 K162 Y163 W168 L169 C170 A187 R189 V254Y123-E166 HydrophobicContact CD1-CB 4.44Å; Y123-E166 HydrophobicContact CD1-CG 4.48Å; Y123-E166 HydrophobicContact CE1-CB 4Å; Y123-E166 HydrophobicContact CE1-CG 4.47Å; K162-E166 WeakPolarHBondContact O-CB 3.32Å; K162-E166 PolarHBondContact O-N 2.92Å; Y163-E166 PolarHBondContact O-N 3.28Å; E166-W168 VanDerWaalsContact C-N 3.27Å; E166-W168 PolarHBondContact O-N 3.5Å; E166-L169 PolarHBondContact O-N 3.04Å; E166-C170 VanDerWaalsContact O-CB 3.25Å; E166-C170 WeakPolarHBondContact O-CB 3.46Å; E166-C170 PolarHBondContact O-N 3.42Å; E166-A187 HydrophobicContact CG-CB 3.85Å; E166-R189 VanDerWaalsContact CD-NE 3.32Å; E166-R189 IonicContact OE1-CZ 2.72Å; E166-R189 VanDerWaalsContact OE1-CZ 3.26Å; E166-R189 IonicContact OE1-NE 3.64Å; E166-R189 PolarHBondContact OE1-NE 3.47Å; E166-R189 VanDerWaalsContact OE1-NE 3.17Å; E166-R189 IonicContact OE1-NH2 2.64Å; E166-R189 PolarHBondContact OE1-NH2 2.81Å; E166-R189 VanDerWaalsContact OE2-CG 3.26Å; E166-R189 WeakPolarHBondContact OE2-CG 3.48Å; E166-R189 IonicContact OE2-CZ 3.71Å; E166-R189 IonicContact OE2-NE 3.14Å; E166-R189 PolarHBondContact OE2-NE 3.41Å; E166-R189 IonicContact OE2-NH2 3.86Å; E166-V254 HydrophobicContact CG-CG2 4.21Å; E166-V254 WeakPolarHBondContact OE2-CG1 3.44Å
167N93Very high90.3Very high80 Ų8044 Ų4443%0.42821%0.208SC..Hα-helixtrans-63.1-33.8177.9-179.986.1000112.1Y163 S165 S171Y163-N167 HydrophobicContact CE1-CB 4.3Å; Y163-N167 WeakPolarHBondContact O-CB 3.39Å; Y163-N167 PolarHBondContact O-N 3Å; S165-N167 PolarHBondContact O-N 2.76Å; N167-S171 VanDerWaalsContact O-CB 3.3Å; N167-S171 WeakPolarHBondContact O-CB 3.31Å; N167-S171 PolarHBondContact O-N 2.81Å; N167-S171 VanDerWaalsContact O-N 3.12Å
168W94.5Very high89.6Confident54 Ų5449.9 Ų49.921%0.20525%0.246CC..Hα-helixtrans-69.1-47.5174.3179.474.8000111.5F103 K107 V110 R164 S165 E166 S171 P175F103-W168 HydrophobicContact CE2-CB 3.81Å; F103-W168 HydrophobicContact CE2-CG 4.2Å; F103-W168 HydrophobicContact CZ-CB 4.36Å; K107-W168 HydrophobicContact CB-CH2 4.05Å; K107-W168 HydrophobicContact CB-CZ2 4.41Å; K107-W168 HydrophobicContact CB-CZ3 4.24Å; K107-W168 HydrophobicContact CD-CZ2 4.35Å; K107-W168 HydrophobicContact CG-CD2 3.95Å; K107-W168 HydrophobicContact CG-CE3 3.86Å; K107-W168 HydrophobicContact CG-CH2 3.78Å; K107-W168 HydrophobicContact CG-CZ2 3.87Å; K107-W168 HydrophobicContact CG-CZ3 3.77Å; V110-W168 HydrophobicContact CB-CH2 3.82Å; V110-W168 HydrophobicContact CB-CZ3 3.94Å; V110-W168 HydrophobicContact CG1-CH2 3.9Å; V110-W168 HydrophobicContact CG1-CZ3 4.26Å; V110-W168 HydrophobicContact CG2-CH2 4.28Å; V110-W168 HydrophobicContact CG2-CZ3 3.87Å; R164-W168 VanDerWaalsContact O-CB 3.31Å; R164-W168 WeakPolarHBondContact O-CB 3.32Å; R164-W168 PolarHBondContact O-N 2.84Å; S165-W168 PolarHBondContact O-N 3.16Å; E166-W168 VanDerWaalsContact C-N 3.27Å; E166-W168 PolarHBondContact O-N 3.5Å; W168-S171 PolarHBondContact O-OG 3.49Å; W168-P175 HydrophobicContact CH2-CB 4.03Å; W168-P175 HydrophobicContact CH2-CG 3.89Å; W168-P175 HydrophobicContact CZ2-CB 3.58Å; W168-P175 HydrophobicContact CZ2-CG 3.96Å; W168-P175 HydrophobicContact CZ3-CG 4.21Å
169L95.5Very high89.1Confident0 Ų054.3 Ų54.30%027%0.272CS..Hα-helixtrans-64.1-41.4178.7-72.1173.8000113.5T106 V110 L121 Y123 S165 E166 G174 V185T106-L169 HydrophobicContact CG2-CD1 3.7Å; T106-L169 HydrophobicContact CG2-CD2 4.06Å; T106-L169 HydrophobicContact CG2-CG 3.98Å; V110-L169 HydrophobicContact CG2-CD2 3.65Å; L121-L169 HydrophobicContact CD2-CD1 4.22Å; L121-L169 HydrophobicContact CD2-CD2 3.77Å; Y123-L169 HydrophobicContact CD1-CD1 3.94Å; Y123-L169 HydrophobicContact CD2-CD1 3.5Å; Y123-L169 HydrophobicContact CE1-CD1 4.43Å; Y123-L169 HydrophobicContact CE2-CD1 4.03Å; Y123-L169 HydrophobicContact CG-CD1 3.45Å; Y123-L169 VanDerWaalsContact CG-CD1 3.45Å; S165-L169 WeakPolarHBondContact O-CB 3.15Å; S165-L169 VanDerWaalsContact O-CG 3.31Å; S165-L169 WeakPolarHBondContact O-CG 3.29Å; S165-L169 PolarHBondContact O-N 2.87Å; E166-L169 PolarHBondContact O-N 3.04Å; L169-G174 WeakPolarHBondContact O-CA 3.33Å; L169-V185 HydrophobicContact CB-CG1 4.31Å; L169-V185 HydrophobicContact CD1-CG1 4.47Å; L169-V185 HydrophobicContact CD2-CG2 4.38Å
170C93.3Very high88.6Confident21 Ų2157.4 Ų57.414%0.14230%0.304CS..Hα-helixtrans-109.29.3-167.5-57.40000113.3E166 G252 V254E166-C170 VanDerWaalsContact O-CB 3.25Å; E166-C170 WeakPolarHBondContact O-CB 3.46Å; E166-C170 PolarHBondContact O-N 3.42Å; C170-G252 WeakPolarHBondContact CB-O 3.38Å; C170-V254 HydrophobicContact CB-CG2 3.8Å
171S87.9Confident88.1Confident52 Ų5258.5 Ų58.536%0.36431%0.313SS..SBendtrans-55.2158167.964.30000109.9N167 W168 N173 G174N167-S171 VanDerWaalsContact O-CB 3.3Å; N167-S171 WeakPolarHBondContact O-CB 3.31Å; N167-S171 PolarHBondContact O-N 2.81Å; N167-S171 VanDerWaalsContact O-N 3.12Å; W168-S171 PolarHBondContact O-OG 3.49Å; S171-N173 CarbonylContact O-C 3.55Å; S171-N173 PolarHBondContact O-N 3.46Å; S171-G174 PolarHBondContact O-N 3.01Å
172K75.2Confident87.8Confident204 Ų20460.8 Ų60.889%0.88733%0.329SS*.THydrogen-bonded Turntrans-42.2-11.1-160.9-163.9173.3177.1-178.30119.5
173N74Confident87.7Confident95 Ų9560.5 Ų60.551%0.50833%0.328SS..THydrogen-bonded Turntrans-148.319.3166-69.9-68.1000113.9S171 N251S171-N173 CarbonylContact O-C 3.55Å; S171-N173 PolarHBondContact O-N 3.46Å; N173-N251 PolarHBondContact O-ND2 2.97Å
174G79.6Confident87.8Confident7 Ų761.5 Ų61.57%0.07233%0.333CS..  trans65.3-176.7-166.600000114.2L169 S171L169-G174 WeakPolarHBondContact O-CA 3.33Å; S171-G174 PolarHBondContact O-N 3.01Å
175P83.8Confident88Confident12 Ų1257.5 Ų57.58%0.07832%0.318CS..PPolyproline II helixtrans-64.9133172.327.5-32.9000110.3V110 W168 F177V110-P175 HydrophobicContact CG1-CG 4.18Å; W168-P175 HydrophobicContact CH2-CB 4.03Å; W168-P175 HydrophobicContact CH2-CG 3.89Å; W168-P175 HydrophobicContact CZ2-CB 3.58Å; W168-P175 HydrophobicContact CZ2-CG 3.96Å; W168-P175 HydrophobicContact CZ3-CG 4.21Å; P175-F177 HydrophobicContact CB-CE2 4.18Å; P175-F177 HydrophobicContact CB-CZ 3.91Å; P175-F177 HydrophobicContact CG-CE2 4.17Å; P175-F177 HydrophobicContact CG-CZ 4.03Å; P175-F177 WeakPolarHBondContact O-CE2 3.33Å
176K81.9Confident88Confident162 Ų16257.5 Ų57.570%0.70432%0.318SS*.PPolyproline II helixtrans-103.8133.7174.2-64.3-171177.6-170.20109.8
177F86.1Confident88.1Confident35 Ų3557 Ų5715%0.15432%0.316CS..PPolyproline II helixtrans-101.1159.1178.4-57.2-81.4000110.7V110 F111 V114 P175 D179 G180 S181V110-F177 HydrophobicContact CG1-CE2 4.14Å; V110-F177 HydrophobicContact CG1-CZ 3.59Å; F111-F177 HydrophobicContact CD1-CD1 4.2Å; F111-F177 AromaticContact CD1-CE1 3.48Å; F111-F177 HydrophobicContact CD1-CE1 3.48Å; F111-F177 VanDerWaalsContact CD1-CE1 3.48Å; F111-F177 HydrophobicContact CD1-CZ 4.4Å; F111-F177 HydrophobicContact CE1-CD1 4.33Å; F111-F177 AromaticContact CE1-CE1 3.6Å; F111-F177 HydrophobicContact CE1-CE1 3.6Å; V114-F177 HydrophobicContact CB-CD2 4.48Å; V114-F177 HydrophobicContact CG1-CB 4.43Å; V114-F177 HydrophobicContact CG1-CD1 4.48Å; V114-F177 HydrophobicContact CG1-CD2 4.35Å; V114-F177 HydrophobicContact CG1-CG 4.13Å; V114-F177 HydrophobicContact CG2-CD1 4.15Å; V114-F177 HydrophobicContact CG2-CD2 3.4Å; V114-F177 VanDerWaalsContact CG2-CD2 3.4Å; V114-F177 HydrophobicContact CG2-CE1 4.06Å; V114-F177 HydrophobicContact CG2-CE2 3.32Å; V114-F177 HydrophobicContact CG2-CG 3.86Å; V114-F177 HydrophobicContact CG2-CZ 3.68Å; P175-F177 HydrophobicContact CB-CE2 4.18Å; P175-F177 HydrophobicContact CB-CZ 3.91Å; P175-F177 HydrophobicContact CG-CE2 4.17Å; P175-F177 HydrophobicContact CG-CZ 4.03Å; P175-F177 WeakPolarHBondContact O-CE2 3.33Å; F177-D179 WeakPolarHBondContact CB-OD1 3.32Å; F177-D179 PolarHBondContact O-N 3.4Å; F177-G180 PolarHBondContact O-N 3.01Å; F177-S181 WeakPolarHBondContact CB-OG 3.43Å; F177-S181 WeakPolarHBondContact CD2-O 3.2Å
178V80.2Confident88.4Confident165 Ų16553.2 Ų53.2100%130%0.295SS*.THydrogen-bonded Turntrans-61.2-32.2-171.3177.20000112.4G180V178-G180 PolarHBondContact O-N 2.86Å
179D84.4Confident88.5Confident122 Ų12250.9 Ų50.965%0.65229%0.286SS*.THydrogen-bonded Turntrans-81.11.5178.165.4-9.7000113.8F177 S181F177-D179 WeakPolarHBondContact CB-OD1 3.32Å; F177-D179 PolarHBondContact O-N 3.4Å; D179-S181 PolarHBondContact O-N 3.23Å; D179-S181 WeakPolarHBondContact OD1-CB 3.38Å; D179-S181 PolarHBondContact OD1-N 2.81Å; D179-S181 PolarHBondContact OD1-OG 3.16Å; D179-S181 PolarHBondContact OD2-OG 3.39Å
180G83.3Confident88.5Confident65 Ų6551 Ų5167%0.6729%0.288SS*.SBendtrans78.63.1-176.400000114.2F177 V178F177-G180 PolarHBondContact O-N 3.01Å; V178-G180 PolarHBondContact O-N 2.86Å
181S84.7Confident88.6Confident36 Ų3650.2 Ų50.225%0.25228%0.282SS..  trans-64.2156.5172.165.80000111V114 F177 D179V114-S181 WeakPolarHBondContact CG1-OG 3.43Å; F177-S181 WeakPolarHBondContact CB-OG 3.43Å; F177-S181 WeakPolarHBondContact CD2-O 3.2Å; D179-S181 PolarHBondContact O-N 3.23Å; D179-S181 WeakPolarHBondContact OD1-CB 3.38Å; D179-S181 PolarHBondContact OD1-N 2.81Å; D179-S181 PolarHBondContact OD1-OG 3.16Å; D179-S181 PolarHBondContact OD2-OG 3.39Å
182S89.3Confident89Confident48 Ų4848.2 Ų48.234%0.33627%0.267SS..  trans-152.1141.2176.268.10000109.9
183V94.9Very high90Very high2 Ų240.5 Ų40.51%0.01224%0.235CC..  trans-93.7127165.7178.20000107.6V110 M113 V114 L121 V185V110-V183 HydrophobicContact CG1-CB 4.41Å; V110-V183 HydrophobicContact CG1-CG2 4.08Å; M113-V183 HydrophobicContact CB-CG2 4.01Å; M113-V183 HydrophobicContact CE-CG1 3.56Å; M113-V183 HydrophobicContact CE-CG2 4.33Å; M113-V183 HydrophobicContact SD-CG1 4.35Å; V114-V183 HydrophobicContact CG2-CG2 3.95Å; L121-V183 HydrophobicContact CB-CG1 3.59Å; V183-V185 HydrophobicContact CG1-CG2 4.29Å
184K96Very high91Very high37 Ų3736.2 Ų36.216%0.16121%0.211CC..EExtended strand (participates in β ladder)trans-82.3135.6174.9-53.1-60-166.5170.30109P119 Y120 L121 L243 P247 D248 N251P119-K184 PolarHBondContact O-N 3.41Å; Y120-K184 HydrophobicContact CD1-CB 4.12Å; Y120-K184 HydrophobicContact CE1-CB 4.47Å; Y120-K184 HydrophobicContact CE1-CG 4.49Å; L121-K184 PolarHBondContact N-O 2.74Å; K184-L243 HydrophobicContact CB-CD1 3.83Å; K184-L243 HydrophobicContact CB-CG 4.35Å; K184-P247 HydrophobicContact CG-CB 4.13Å; K184-D248 WeakPolarHBondContact CE-OD1 3.45Å; K184-D248 IonicContact NZ-OD1 3.52Å; K184-D248 PolarHBondContact NZ-OD1 2.84Å; K184-N251 VanDerWaalsContact CA-OD1 3.32Å; K184-N251 WeakPolarHBondContact CA-OD1 3.36Å; K184-N251 HydrophobicContact CD-CB 4.02Å
185V97.5Very high91.9Very high1 Ų135.9 Ų35.91%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-130.3139-170.2-167.60000112.1L121 L169 V183 N251 G252L121-V185 HydrophobicContact CB-CG1 4.37Å; L121-V185 HydrophobicContact CB-CG2 4.17Å; L121-V185 HydrophobicContact CD2-CG1 4.13Å; L121-V185 HydrophobicContact CD2-CG2 4.13Å; L121-V185 HydrophobicContact CG-CG1 4.22Å; L121-V185 VanDerWaalsContact O-CA 3.29Å; L121-V185 WeakPolarHBondContact O-CA 3.21Å; L169-V185 HydrophobicContact CB-CG1 4.31Å; L169-V185 HydrophobicContact CD1-CG1 4.47Å; L169-V185 HydrophobicContact CD2-CG2 4.38Å; V183-V185 HydrophobicContact CG1-CG2 4.29Å; V185-N251 PolarHBondContact N-OD1 2.95Å; V185-G252 PolarHBondContact O-N 3.21Å
186I97.6Very high92.5Very high0 Ų035.7 Ų35.70%021%0.206CC..EExtended strand (participates in β ladder)trans-119133.2154.7-63.4-178.9000108.1L121 I122 Y123 A239 L243 C250 E253 V255 L342L121-I186 PolarHBondContact O-N 3.21Å; I122-I186 WeakPolarHBondContact CA-O 3.44Å; I122-I186 HydrophobicContact CD1-CB 4.06Å; Y123-I186 PolarHBondContact N-O 2.97Å; I186-A239 HydrophobicContact CB-CB 4.34Å; I186-A239 HydrophobicContact CD1-CB 4.2Å; I186-A239 WeakPolarHBondContact CD1-O 3.33Å; I186-A239 HydrophobicContact CG2-CB 3.99Å; I186-L243 HydrophobicContact CD1-CB 3.84Å; I186-L243 HydrophobicContact CD1-CD1 4.35Å; I186-L243 HydrophobicContact CG1-CB 4.19Å; I186-L243 HydrophobicContact CG1-CD1 3.99Å; I186-L243 HydrophobicContact CG1-CD2 4.31Å; I186-L243 HydrophobicContact CG1-CG 4.39Å; I186-C250 HydrophobicContact CD1-CB 3.82Å; I186-C250 HydrophobicContact CG1-CB 4.17Å; I186-E253 CarbonylContact C-O 3.58Å; I186-E253 WeakPolarHBondContact CA-O 3.47Å; I186-V255 HydrophobicContact CG2-CG2 4.4Å; I186-L342 HydrophobicContact CD1-CD2 4.3Å
187A97.7Very high93.1Very high0 Ų028 Ų280%017%0.173CC..EExtended strand (participates in β ladder)trans-102128.9172.900000111.2Y123 E166 E253 V254 V255Y123-A187 HydrophobicContact CD1-CB 3.93Å; Y123-A187 CarbonylContact O-C 3.56Å; Y123-A187 VanDerWaalsContact O-CA 3.31Å; Y123-A187 WeakPolarHBondContact O-CA 3.31Å; E166-A187 HydrophobicContact CG-CB 3.85Å; A187-E253 PolarHBondContact N-O 3.38Å; A187-V254 HydrophobicContact CB-CG1 4.28Å; A187-V254 HydrophobicContact CB-CG2 4.18Å; A187-V254 CarbonylContact O-C 3.56Å; A187-V254 WeakPolarHBondContact O-CA 3.27Å; A187-V255 PolarHBondContact O-N 3.47Å
188I98.2Very high93.5Very high0 Ų026.4 Ų26.40%017%0.166CC..EExtended strand (participates in β ladder)trans-107.6124.3176-64.1168.8000108.7I122 Y123 T124 G125 P190 M235 H236 A239 V255 C257I122-I188 HydrophobicContact CG2-CD1 3.86Å; I122-I188 HydrophobicContact CG2-CG1 4.49Å; Y123-I188 PolarHBondContact O-N 3.19Å; T124-I188 CarbonylContact C-O 3.59Å; G125-I188 WeakPolarHBondContact CA-O 3.42Å; G125-I188 PolarHBondContact N-O 3.38Å; I188-P190 WeakPolarHBondContact O-CD 3.4Å; I188-M235 HydrophobicContact CD1-CB 4.39Å; I188-M235 HydrophobicContact CD1-CG 3.99Å; I188-M235 HydrophobicContact CD1-SD 4.48Å; I188-M235 HydrophobicContact CG1-CG 4.44Å; I188-M235 HydrophobicContact CG1-SD 4.33Å; I188-M235 HydrophobicContact CG2-CG 4.44Å; I188-M235 HydrophobicContact CG2-SD 3.72Å; I188-H236 VanDerWaalsContact CD1-CA 3.42Å; I188-H236 HydrophobicContact CD1-CB 4.06Å; I188-H236 WeakPolarHBondContact CD1-ND1 3.31Å; I188-A239 HydrophobicContact CD1-CB 3.79Å; I188-A239 HydrophobicContact CG1-CB 4.38Å; I188-V255 CarbonylContact C-O 3.55Å; I188-V255 WeakPolarHBondContact CA-O 3.21Å; I188-V255 HydrophobicContact CG1-CG2 3.9Å; I188-C257 HydrophobicContact CG2-CB 3.83Å
189R97.3Very high94Very high4 Ų421.2 Ų21.22%0.01513%0.133CC..EExtended strand (participates in β ladder)trans-103.888.3178.2-70.7-177.9-179.8169.8-1.3110.3A127 T144 E166 V254 V255 N256 C257A127-R189 HydrophobicContact CB-CB 4.36Å; T144-R189 PolarHBondContact OG1-NH1 3.22Å; E166-R189 VanDerWaalsContact CD-NE 3.32Å; E166-R189 IonicContact OE1-CZ 2.72Å; E166-R189 VanDerWaalsContact OE1-CZ 3.26Å; E166-R189 IonicContact OE1-NE 3.64Å; E166-R189 PolarHBondContact OE1-NE 3.47Å; E166-R189 VanDerWaalsContact OE1-NE 3.17Å; E166-R189 IonicContact OE1-NH2 2.64Å; E166-R189 PolarHBondContact OE1-NH2 2.81Å; E166-R189 VanDerWaalsContact OE2-CG 3.26Å; E166-R189 WeakPolarHBondContact OE2-CG 3.48Å; E166-R189 IonicContact OE2-CZ 3.71Å; E166-R189 IonicContact OE2-NE 3.14Å; E166-R189 PolarHBondContact OE2-NE 3.41Å; E166-R189 IonicContact OE2-NH2 3.86Å; R189-V254 HydrophobicContact CG-CG1 3.95Å; R189-V254 VanDerWaalsContact NE-CG1 3.26Å; R189-V255 PolarHBondContact N-O 3.2Å; R189-N256 WeakPolarHBondContact CD-OD1 3.41Å; R189-N256 WeakPolarHBondContact O-CA 3.12Å; R189-C257 PolarHBondContact O-N 2.91Å
190P96.6Very high94.4Very high4 Ų417.3 Ų17.33%0.02611%0.11CC..EExtended strand (participates in β ladder)trans-67.6153.5171.430.9-35.2000111.4T124 A127 I188 M193 V232T124-P190 HydrophobicContact CG2-CG 4.02Å; A127-P190 WeakPolarHBondContact CB-O 3.37Å; A127-P190 PolarHBondContact N-O 2.79Å; I188-P190 WeakPolarHBondContact O-CD 3.4Å; P190-M193 HydrophobicContact CB-CG 3.92Å; P190-M193 HydrophobicContact CB-SD 3.94Å; P190-M193 HydrophobicContact CG-CE 4.37Å; P190-M193 HydrophobicContact CG-CG 4.42Å; P190-M193 HydrophobicContact CG-SD 3.98Å; P190-V232 HydrophobicContact CB-CG1 3.85Å; P190-V232 HydrophobicContact CB-CG2 3.76Å; P190-V232 HydrophobicContact CG-CG1 4.2Å
191T95.1Very high94.8Very high4 Ų414.3 Ų14.33%0.0258%0.079CC..  trans-81.5-167.6163.672.50000110.2A127 F128 M193 D225 T227 C257 N258 V333A127-T191 HydrophobicContact CB-CG2 3.95Å; F128-T191 HydrophobicContact CZ-CG2 4.04Å; T191-M193 WeakPolarHBondContact O-CG 3.47Å; T191-M193 PolarHBondContact O-N 3.14Å; T191-D225 WeakPolarHBondContact CB-O 3.35Å; T191-D225 HydrophobicContact CG2-CB 3.72Å; T191-D225 PolarHBondContact OG1-O 2.89Å; T191-T227 PolarHBondContact OG1-OG1 3.48Å; T191-C257 PolarHBondContact N-O 3.05Å; T191-N258 HydrophobicContact CG2-CB 4.28Å; T191-V333 HydrophobicContact CG2-CG2 3.61Å
192L94.9Very high95.2Very high9 Ų912.7 Ų12.75%0.0477%0.067CC..EExtended strand (participates in β ladder)trans-56.1115177.8-176.667.2000110.5F200 F201 L224 T226 T227 F266 F326L192-F200 HydrophobicContact CD1-CD1 4.5Å; L192-F200 HydrophobicContact CD1-CE1 4.28Å; L192-F201 HydrophobicContact CD1-CD1 3.88Å; L192-F201 HydrophobicContact CD1-CE1 4.25Å; L192-F201 HydrophobicContact CD2-CD1 4.49Å; L192-F201 HydrophobicContact CD2-CE1 4.46Å; L192-F201 HydrophobicContact CG-CD1 4.33Å; L192-F201 HydrophobicContact CG-CE1 4.24Å; L192-L224 HydrophobicContact CB-CD1 4Å; L192-L224 HydrophobicContact CD2-CD1 3.79Å; L192-T226 HydrophobicContact CD2-CG2 4.38Å; L192-T226 CarbonylContact O-C 3.56Å; L192-T226 VanDerWaalsContact O-CA 3.25Å; L192-T226 WeakPolarHBondContact O-CA 3.41Å; L192-T227 PolarHBondContact O-N 2.81Å; L192-F266 HydrophobicContact CD2-CD2 4.06Å; L192-F266 HydrophobicContact CD2-CE2 3.87Å; L192-F326 HydrophobicContact CD2-CE1 4.11Å
193M96.4Very high95.4Very high42 Ų4211.6 Ų11.621%0.2076%0.059CC..EExtended strand (participates in β ladder)trans-87.1138.3-173.6-64.5-176.6-72.400111.9F16 L17 P190 T191 F201 T227 V232F16-M193 HydrophobicContact CE1-CB 3.82Å; L17-M193 HydrophobicContact CB-CE 4.45Å; L17-M193 HydrophobicContact CB-SD 4.49Å; L17-M193 HydrophobicContact CD1-SD 4.15Å; L17-M193 HydrophobicContact CD2-CE 4.41Å; L17-M193 HydrophobicContact CD2-SD 4.18Å; P190-M193 HydrophobicContact CB-CG 3.92Å; P190-M193 HydrophobicContact CB-SD 3.94Å; P190-M193 HydrophobicContact CG-CE 4.37Å; P190-M193 HydrophobicContact CG-CG 4.42Å; P190-M193 HydrophobicContact CG-SD 3.98Å; T191-M193 WeakPolarHBondContact O-CG 3.47Å; T191-M193 PolarHBondContact O-N 3.14Å; M193-F201 WeakPolarHBondContact O-CE1 3.47Å; M193-T227 CarbonylContact C-O 3.48Å; M193-T227 WeakPolarHBondContact CA-O 3.44Å; M193-V232 HydrophobicContact CG-CG2 4.01Å; M193-V232 HydrophobicContact SD-CB 4.22Å; M193-V232 HydrophobicContact SD-CG1 4.03Å; M193-V232 HydrophobicContact SD-CG2 3.94Å
194Y96.2Very high95.2Very high5 Ų513.9 Ų13.92%0.027%0.069CC..EExtended strand (participates in β ladder)trans-130.2160.3170.574-80.4000111.1T227 Y228 A229 E259 F269 T353 M354 T357Y194-T227 WeakPolarHBondContact CD1-O 3.5Å; Y194-T227 VanDerWaalsContact CE1-C 3.4Å; Y194-T227 PolarHBondContact N-O 3.15Å; Y194-Y228 HydrophobicContact CD2-CD2 4.37Å; Y194-Y228 VanDerWaalsContact CE1-N 3.28Å; Y194-Y228 HydrophobicContact CE2-CD2 4.05Å; Y194-Y228 CarbonylContact O-C 3.6Å; Y194-Y228 WeakPolarHBondContact O-CA 3.31Å; Y194-Y228 WeakPolarHBondContact O-CD2 3.38Å; Y194-A229 PolarHBondContact O-N 3.43Å; Y194-E259 PolarHBondContact OH-OE2 3.46Å; Y194-E259 VanDerWaalsContact OH-OE2 3.12Å; Y194-F269 HydrophobicContact CD1-CE2 4.11Å; Y194-F269 AromaticContact CD1-CZ 3.94Å; Y194-F269 HydrophobicContact CD1-CZ 3.94Å; Y194-F269 HydrophobicContact CD2-CZ 4.29Å; Y194-F269 HydrophobicContact CE1-CE2 4.5Å; Y194-F269 HydrophobicContact CG-CE2 4.16Å; Y194-F269 AromaticContact CG-CZ 3.69Å; Y194-F269 HydrophobicContact CG-CZ 3.69Å; Y194-T353 PolarHBondContact OH-OG1 3.37Å; Y194-M354 HydrophobicContact CE2-CE 4.45Å; Y194-T357 HydrophobicContact CD2-CG2 4.32Å
195G97Very high95Very high0 Ų012.4 Ų12.40%06%0.063CC..SBendtrans156.3174.5-175.700000112.4G197 E198 T357G195-G197 PolarHBondContact O-N 3.15Å; G195-E198 VanDerWaalsContact O-CB 3.31Å; G195-E198 WeakPolarHBondContact O-CB 3.13Å; G195-E198 PolarHBondContact O-N 2.87Å; G195-E198 VanDerWaalsContact O-N 3.15Å; G195-T357 WeakPolarHBondContact CA-OG1 3.3Å; G195-T357 WeakPolarHBondContact O-CG2 3.44Å
196E96.5Very high94.9Very high8 Ų812.6 Ų12.64%0.0376%0.064CC..THydrogen-bonded Turntrans-61.6131.1173.4-53.8102.8106.400110.7F16 H20 R23 L48 E198 Y228 R356 W360F16-E196 WeakPolarHBondContact CE2-O 3.31Å; H20-E196 IonicContact CE1-OE2 3.67Å; H20-E196 PolarHBondContact NE2-O 3.4Å; H20-E196 VanDerWaalsContact NE2-O 3.09Å; R23-E196 IonicContact NH1-OE1 2.7Å; L48-E196 HydrophobicContact CD2-CB 3.45Å; L48-E196 VanDerWaalsContact CD2-CB 3.45Å; L48-E196 HydrophobicContact CD2-CG 4.44Å; E196-E198 VanDerWaalsContact C-N 3.34Å; E196-Y228 PolarHBondContact OE1-OH 2.86Å; E196-Y228 WeakPolarHBondContact OE2-CE2 3.35Å; E196-Y228 VanDerWaalsContact OE2-CZ 3.27Å; E196-Y228 PolarHBondContact OE2-OH 2.94Å; E196-R356 HydrophobicContact CG-CG 4.29Å; E196-R356 WeakPolarHBondContact OE1-CD 3.41Å; E196-R356 WeakPolarHBondContact OE1-CG 3.41Å; E196-R356 IonicContact OE1-CZ 2.96Å; E196-R356 IonicContact OE1-NE 3.11Å; E196-R356 PolarHBondContact OE1-NE 3.39Å; E196-R356 IonicContact OE1-NH2 3.99Å; E196-R356 PolarHBondContact OE1-NH2 2.94Å; E196-W360 HydrophobicContact CB-CB 3.91Å; E196-W360 HydrophobicContact CB-CD2 3.89Å; E196-W360 HydrophobicContact CB-CG 3.5Å; E196-W360 VanDerWaalsContact CB-CG 3.5Å; E196-W360 HydrophobicContact CG-CB 3.51Å; E196-W360 HydrophobicContact CG-CD2 4.5Å; E196-W360 HydrophobicContact CG-CG 3.68Å
197G94.6Very high94.6Very high2 Ų216.2 Ų16.22%0.0218%0.078CC..THydrogen-bonded Turntrans847-175.600000114.8F16 G195 N199 W360F16-G197 WeakPolarHBondContact CD2-O 3.37Å; G195-G197 PolarHBondContact O-N 3.15Å; G197-N199 PolarHBondContact O-N 3.36Å; G197-W360 VanDerWaalsContact N-CH2 3.33Å; G197-W360 VanDerWaalsContact N-CZ2 3.34Å; G197-W360 VanDerWaalsContact N-CZ3 3.33Å
198E94.6Very high94.4Very high1 Ų117.5 Ų17.51%0.0059%0.085CC..  trans-52.4126170.4-162.6-64.6135.900108.8F16 G195 E196 F200 F201 L202 P203 Y368F16-E198 HydrophobicContact CE1-CB 4.21Å; F16-E198 HydrophobicContact CE1-CG 4.01Å; F16-E198 HydrophobicContact CE2-CB 4.06Å; F16-E198 HydrophobicContact CZ-CB 3.9Å; F16-E198 HydrophobicContact CZ-CG 4.12Å; G195-E198 VanDerWaalsContact O-CB 3.31Å; G195-E198 WeakPolarHBondContact O-CB 3.13Å; G195-E198 PolarHBondContact O-N 2.87Å; G195-E198 VanDerWaalsContact O-N 3.15Å; E196-E198 VanDerWaalsContact C-N 3.34Å; E198-F200 VanDerWaalsContact OE1-CA 3.25Å; E198-F200 WeakPolarHBondContact OE1-CA 3.25Å; E198-F200 WeakPolarHBondContact OE1-CB 3.37Å; E198-F200 PolarHBondContact OE1-N 2.88Å; E198-F200 PolarHBondContact OE2-N 3.06Å; E198-F201 HydrophobicContact CG-CD1 4.16Å; E198-F201 HydrophobicContact CG-CE1 3.64Å; E198-F201 HydrophobicContact CG-CZ 4.09Å; E198-F201 WeakPolarHBondContact OE1-CD1 3.39Å; E198-F201 PolarHBondContact OE1-N 3.42Å; E198-F201 PolarHBondContact OE2-N 3.2Å; E198-L202 HydrophobicContact CB-CD1 4.08Å; E198-L202 HydrophobicContact CG-CD1 4.36Å; E198-L202 HydrophobicContact CG-CG 4.44Å; E198-L202 WeakPolarHBondContact OE2-CB 3.36Å; E198-L202 VanDerWaalsContact OE2-CG 3.25Å; E198-L202 WeakPolarHBondContact OE2-CG 3.33Å; E198-L202 PolarHBondContact OE2-N 3.48Å; E198-P203 WeakPolarHBondContact OE2-CD 3.36Å; E198-Y368 PolarHBondContact O-OH 3.32Å; E198-Y368 VanDerWaalsContact O-OH 3.13Å
199N91.3Very high94.2Very high56 Ų5617.5 Ų17.530%0.2999%0.085SC..  trans-137.219.9-168.568.8-1.4000112.8Q86 G197 Y368Q86-N199 PolarHBondContact NE2-OD1 3.47Å; G197-N199 PolarHBondContact O-N 3.36Å; N199-Y368 HydrophobicContact CB-CE1 4.41Å
200F92Very high94Very high39 Ų3923.4 Ų23.417%0.17111%0.107CC..SBendtrans-113-68.3-176.8168-124.4000111.1Q86 F87 F89 L192 E198Q86-F200 HydrophobicContact CB-CD2 3.94Å; Q86-F200 HydrophobicContact CB-CE2 4.15Å; Q86-F200 HydrophobicContact CG-CD2 4.44Å; Q86-F200 VanDerWaalsContact OE1-CD2 3.29Å; F87-F200 HydrophobicContact CB-CE2 4.18Å; F87-F200 HydrophobicContact CB-CZ 3.86Å; F87-F200 HydrophobicContact CD1-CZ 4.06Å; F87-F200 HydrophobicContact CG-CZ 4.47Å; F87-F200 VanDerWaalsContact O-CE2 3.25Å; F87-F200 WeakPolarHBondContact O-CE2 3.48Å; F89-F200 HydrophobicContact CE1-CE1 4.23Å; F89-F200 AromaticContact CE1-CE2 3.93Å; F89-F200 HydrophobicContact CE1-CE2 3.93Å; F89-F200 AromaticContact CE1-CZ 3.53Å; F89-F200 HydrophobicContact CE1-CZ 3.53Å; F89-F200 HydrophobicContact CE2-CD2 4.01Å; F89-F200 AromaticContact CE2-CE2 3.54Å; F89-F200 HydrophobicContact CE2-CE2 3.54Å; F89-F200 HydrophobicContact CE2-CZ 4Å; F89-F200 HydrophobicContact CZ-CD1 4.33Å; F89-F200 AromaticContact CZ-CD2 3.87Å; F89-F200 HydrophobicContact CZ-CD2 3.87Å; F89-F200 AromaticContact CZ-CE1 3.78Å; F89-F200 HydrophobicContact CZ-CE1 3.78Å; F89-F200 AromaticContact CZ-CE2 3.2Å; F89-F200 HydrophobicContact CZ-CE2 3.2Å; F89-F200 HydrophobicContact CZ-CG 4.38Å; F89-F200 AromaticContact CZ-CZ 3.16Å; F89-F200 HydrophobicContact CZ-CZ 3.16Å; L192-F200 HydrophobicContact CD1-CD1 4.5Å; L192-F200 HydrophobicContact CD1-CE1 4.28Å; E198-F200 VanDerWaalsContact OE1-CA 3.25Å; E198-F200 WeakPolarHBondContact OE1-CA 3.25Å; E198-F200 WeakPolarHBondContact OE1-CB 3.37Å; E198-F200 PolarHBondContact OE1-N 2.88Å; E198-F200 PolarHBondContact OE2-N 3.06Å
201F92Very high93.8Very high3 Ų328 Ų281%0.01313%0.126CC..Hα-helixtrans-95.4-33.2-174.771.8-94.5000113.9F89 L192 M193 E198 E204 V205 F266 F269 L270F89-F201 HydrophobicContact CZ-CB 4.05Å; L192-F201 HydrophobicContact CD1-CD1 3.88Å; L192-F201 HydrophobicContact CD1-CE1 4.25Å; L192-F201 HydrophobicContact CD2-CD1 4.49Å; L192-F201 HydrophobicContact CD2-CE1 4.46Å; L192-F201 HydrophobicContact CG-CD1 4.33Å; L192-F201 HydrophobicContact CG-CE1 4.24Å; M193-F201 WeakPolarHBondContact O-CE1 3.47Å; E198-F201 HydrophobicContact CG-CD1 4.16Å; E198-F201 HydrophobicContact CG-CE1 3.64Å; E198-F201 HydrophobicContact CG-CZ 4.09Å; E198-F201 WeakPolarHBondContact OE1-CD1 3.39Å; E198-F201 PolarHBondContact OE1-N 3.42Å; E198-F201 PolarHBondContact OE2-N 3.2Å; F201-E204 PolarHBondContact O-N 3.17Å; F201-V205 WeakPolarHBondContact O-CG2 3.43Å; F201-V205 PolarHBondContact O-N 2.94Å; F201-F266 HydrophobicContact CD2-CE2 4.25Å; F201-F266 HydrophobicContact CD2-CZ 4.33Å; F201-F269 HydrophobicContact CE2-CE1 4.05Å; F201-F269 AromaticContact CZ-CE1 3.78Å; F201-F269 HydrophobicContact CZ-CE1 3.78Å; F201-L270 HydrophobicContact CD2-CD2 3.68Å; F201-L270 HydrophobicContact CE2-CD2 3.5Å; F201-L270 VanDerWaalsContact CE2-CD2 3.5Å
202L94.1Very high93.7Very high2 Ų232.4 Ų32.41%0.0114%0.143CC..Hα-helixtrans-64.5-37.4177.6-64.6177.8000113.1E198 E204 V205 M206 L270 F273 W361E198-L202 HydrophobicContact CB-CD1 4.08Å; E198-L202 HydrophobicContact CG-CD1 4.36Å; E198-L202 HydrophobicContact CG-CG 4.44Å; E198-L202 WeakPolarHBondContact OE2-CB 3.36Å; E198-L202 VanDerWaalsContact OE2-CG 3.25Å; E198-L202 WeakPolarHBondContact OE2-CG 3.33Å; E198-L202 PolarHBondContact OE2-N 3.48Å; L202-E204 VanDerWaalsContact C-N 3.31Å; L202-E204 PolarHBondContact O-N 3.19Å; L202-V205 WeakPolarHBondContact O-CB 3.33Å; L202-V205 PolarHBondContact O-N 3.31Å; L202-M206 WeakPolarHBondContact O-CG 3.39Å; L202-M206 PolarHBondContact O-N 2.98Å; L202-L270 HydrophobicContact CD2-CD2 4.11Å; L202-F273 HydrophobicContact CD1-CD1 4.31Å; L202-F273 HydrophobicContact CD1-CG 4.5Å; L202-F273 HydrophobicContact CD2-CB 3.77Å; L202-F273 HydrophobicContact CD2-CD1 4.38Å; L202-F273 HydrophobicContact CD2-CD2 3.96Å; L202-F273 HydrophobicContact CD2-CG 3.77Å; L202-W361 HydrophobicContact CB-CE3 4.16Å; L202-W361 HydrophobicContact CB-CH2 3.45Å; L202-W361 VanDerWaalsContact CB-CH2 3.45Å; L202-W361 HydrophobicContact CB-CZ2 3.97Å; L202-W361 HydrophobicContact CB-CZ3 3.55Å; L202-W361 HydrophobicContact CD1-CD2 3.96Å; L202-W361 HydrophobicContact CD1-CE3 3.65Å; L202-W361 HydrophobicContact CD1-CH2 4.43Å; L202-W361 HydrophobicContact CD1-CZ3 3.92Å; L202-W361 HydrophobicContact CG-CH2 4.47Å; L202-W361 HydrophobicContact CG-CZ3 4.36Å
203P92.7Very high93.7Very high25 Ų2534.4 Ų34.416%0.16217%0.166CC..Hα-helixtrans-61.8-39172.4-2334.5000112.4E198 M206 R207 Y368E198-P203 WeakPolarHBondContact OE2-CD 3.36Å; P203-M206 WeakPolarHBondContact O-CB 3.42Å; P203-M206 PolarHBondContact O-N 2.96Å; P203-R207 WeakPolarHBondContact O-CB 3.23Å; P203-R207 PolarHBondContact O-N 2.89Å; P203-Y368 HydrophobicContact CB-CD1 3.78Å; P203-Y368 HydrophobicContact CB-CE1 4.39Å; P203-Y368 HydrophobicContact CG-CD1 3.45Å; P203-Y368 VanDerWaalsContact CG-CD1 3.45Å; P203-Y368 HydrophobicContact CG-CE1 3.59Å; P203-Y368 HydrophobicContact CG-CG 4.39Å
204E91.2Very high93.6Very high49 Ų4934.7 Ų34.723%0.22917%0.166CC..Hα-helixtrans-66.6-39.7176.9-177.662.5-169.700111.3F89 F201 L202 M206 R207 L208F89-E204 HydrophobicContact CD2-CB 3.96Å; F89-E204 HydrophobicContact CD2-CG 3.62Å; F89-E204 HydrophobicContact CE2-CB 3.82Å; F89-E204 HydrophobicContact CE2-CG 3.98Å; F89-E204 HydrophobicContact CG-CG 4.26Å; F201-E204 PolarHBondContact O-N 3.17Å; L202-E204 VanDerWaalsContact C-N 3.31Å; L202-E204 PolarHBondContact O-N 3.19Å; E204-M206 VanDerWaalsContact C-N 3.34Å; E204-M206 PolarHBondContact O-N 2.93Å; E204-R207 VanDerWaalsContact CD-NE 3.29Å; E204-R207 WeakPolarHBondContact O-CB 3.38Å; E204-R207 PolarHBondContact O-N 2.61Å; E204-R207 IonicContact OE1-CZ 3.66Å; E204-R207 VanDerWaalsContact OE1-CZ 3.3Å; E204-R207 IonicContact OE1-NE 3.15Å; E204-R207 PolarHBondContact OE1-NE 2.69Å; E204-R207 VanDerWaalsContact OE1-NE 3.13Å; E204-R207 IonicContact OE1-NH2 2.78Å; E204-R207 PolarHBondContact OE1-NH2 2.8Å; E204-R207 IonicContact OE2-CZ 3.3Å; E204-R207 IonicContact OE2-NE 2.8Å; E204-R207 PolarHBondContact OE2-NE 2.8Å; E204-R207 IonicContact OE2-NH2 2.65Å; E204-L208 WeakPolarHBondContact O-CG 3.42Å; E204-L208 PolarHBondContact O-N 3.41Å
205V92.5Very high93.6Very high6 Ų634.9 Ų34.94%0.03617%0.167CC..Hα-helixtrans-59-45171.3170.30000110.9F201 L202 L208 C209 M215 L270 V274F201-V205 WeakPolarHBondContact O-CG2 3.43Å; F201-V205 PolarHBondContact O-N 2.94Å; L202-V205 WeakPolarHBondContact O-CB 3.33Å; L202-V205 PolarHBondContact O-N 3.31Å; V205-L208 PolarHBondContact O-N 3.15Å; V205-C209 WeakPolarHBondContact O-CB 3.36Å; V205-C209 PolarHBondContact O-N 3.49Å; V205-C209 PolarHBondContact O-SG 3.46Å; V205-M215 HydrophobicContact CB-SD 4.42Å; V205-M215 HydrophobicContact CG1-CG 4.42Å; V205-M215 HydrophobicContact CG1-SD 3.97Å; V205-M215 HydrophobicContact CG2-CE 4.03Å; V205-M215 HydrophobicContact CG2-SD 4.36Å; V205-L270 HydrophobicContact CG2-CD1 3.6Å; V205-L270 HydrophobicContact CG2-CD2 3.97Å; V205-L270 HydrophobicContact CG2-CG 4.44Å; V205-V274 HydrophobicContact CG1-CG2 3.62Å
206M93.9Very high93.3Very high6 Ų636 Ų363%0.0318%0.175CC..Hα-helixtrans-63-42.1176.1-74.1-57.2-64.700112.6L202 P203 E204 L208 C209 R210 S277 Y279 W361L202-M206 WeakPolarHBondContact O-CG 3.39Å; L202-M206 PolarHBondContact O-N 2.98Å; P203-M206 WeakPolarHBondContact O-CB 3.42Å; P203-M206 PolarHBondContact O-N 2.96Å; E204-M206 VanDerWaalsContact C-N 3.34Å; E204-M206 PolarHBondContact O-N 2.93Å; M206-L208 VanDerWaalsContact C-N 3.32Å; M206-L208 PolarHBondContact O-N 3.41Å; M206-C209 PolarHBondContact O-N 3.02Å; M206-R210 WeakPolarHBondContact O-CB 3.46Å; M206-R210 VanDerWaalsContact O-CG 3.32Å; M206-R210 WeakPolarHBondContact O-CG 3.43Å; M206-R210 PolarHBondContact O-N 2.94Å; M206-S277 WeakPolarHBondContact SD-CB 3.17Å; M206-S277 PolarHBondContact SD-OG 3.04Å; M206-Y279 HydrophobicContact CE-CE2 4Å; M206-W361 HydrophobicContact CG-CH2 3.5Å; M206-W361 HydrophobicContact CG-CZ2 3.32Å; M206-W361 HydrophobicContact SD-CH2 4.44Å; M206-W361 HydrophobicContact SD-CZ2 3.7Å
207R92.5Very high93Very high76 Ų7637.2 Ų37.229%0.28718%0.18SC..Hα-helixtrans-57.2-46.3175.4-169.9-167.871.279.51111.2P203 E204 K211 D316P203-R207 WeakPolarHBondContact O-CB 3.23Å; P203-R207 PolarHBondContact O-N 2.89Å; E204-R207 VanDerWaalsContact CD-NE 3.29Å; E204-R207 WeakPolarHBondContact O-CB 3.38Å; E204-R207 PolarHBondContact O-N 2.61Å; E204-R207 IonicContact OE1-CZ 3.66Å; E204-R207 VanDerWaalsContact OE1-CZ 3.3Å; E204-R207 IonicContact OE1-NE 3.15Å; E204-R207 PolarHBondContact OE1-NE 2.69Å; E204-R207 VanDerWaalsContact OE1-NE 3.13Å; E204-R207 IonicContact OE1-NH2 2.78Å; E204-R207 PolarHBondContact OE1-NH2 2.8Å; E204-R207 IonicContact OE2-CZ 3.3Å; E204-R207 IonicContact OE2-NE 2.8Å; E204-R207 PolarHBondContact OE2-NE 2.8Å; E204-R207 IonicContact OE2-NH2 2.65Å; R207-K211 WeakPolarHBondContact O-CB 3.37Å; R207-K211 PolarHBondContact O-N 3.22Å; R207-D316 IonicContact NH1-OD2 3.41Å
208L92Very high92.6Very high26 Ų2638 Ų3814%0.13618%0.184CC..Hα-helixtrans-65.1-43.8176.9-66.6170.8000111.8E204 V205 M206 K211 Y212 M215E204-L208 WeakPolarHBondContact O-CG 3.42Å; E204-L208 PolarHBondContact O-N 3.41Å; V205-L208 PolarHBondContact O-N 3.15Å; M206-L208 VanDerWaalsContact C-N 3.32Å; M206-L208 PolarHBondContact O-N 3.41Å; L208-K211 PolarHBondContact O-N 2.87Å; L208-Y212 HydrophobicContact CB-CD2 4.47Å; L208-Y212 HydrophobicContact CD2-CD2 4.41Å; L208-Y212 HydrophobicContact CD2-CE2 3.78Å; L208-Y212 VanDerWaalsContact O-CD2 3.32Å; L208-Y212 WeakPolarHBondContact O-CD2 3.45Å; L208-Y212 PolarHBondContact O-N 3.12Å; L208-M215 HydrophobicContact CB-SD 4.08Å; L208-M215 HydrophobicContact CD1-CE 3.93Å; L208-M215 HydrophobicContact CD1-SD 3.96Å
209C94Very high91.9Very high0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-61-45.9177.1-69.70000112.2V205 M206 K211 G213 Y279V205-C209 WeakPolarHBondContact O-CB 3.36Å; V205-C209 PolarHBondContact O-N 3.49Å; V205-C209 PolarHBondContact O-SG 3.46Å; M206-C209 PolarHBondContact O-N 3.02Å; C209-K211 VanDerWaalsContact C-N 3.3Å; C209-K211 PolarHBondContact O-N 3.4Å; C209-G213 CarbonylContact O-C 3.56Å; C209-G213 WeakPolarHBondContact O-CA 3.4Å; C209-G213 PolarHBondContact O-N 3.49Å; C209-Y279 HydrophobicContact CB-CD1 3.87Å; C209-Y279 HydrophobicContact CB-CD2 3.54Å; C209-Y279 HydrophobicContact CB-CE1 4.06Å; C209-Y279 HydrophobicContact CB-CE2 3.75Å; C209-Y279 HydrophobicContact CB-CG 3.59Å; C209-Y279 WeakPolarHBondContact O-CE1 3.42Å
210R93.7Very high91.5Very high129 Ų12938.6 Ų38.649%0.48720%0.196SC..Hα-helixtrans-63.3-36.7176.6-70.7177.3-171.9-95.16.8111.7M206 A366 Y368M206-R210 WeakPolarHBondContact O-CB 3.46Å; M206-R210 VanDerWaalsContact O-CG 3.32Å; M206-R210 WeakPolarHBondContact O-CG 3.43Å; M206-R210 PolarHBondContact O-N 2.94Å; R210-A366 PolarHBondContact NH2-O 2.66Å; R210-Y368 PolarHBondContact NE-O 2.82Å; R210-Y368 PolarHBondContact NH2-O 3.04Å
211K92.8Very high91.2Very high99 Ų9939.3 Ų39.343%0.4322%0.215SC..Hα-helixtrans-71.9-44.6-179.7-175.7172.5-176.9171.90113.3R207 L208 C209 D316R207-K211 WeakPolarHBondContact O-CB 3.37Å; R207-K211 PolarHBondContact O-N 3.22Å; L208-K211 PolarHBondContact O-N 2.87Å; C209-K211 VanDerWaalsContact C-N 3.3Å; C209-K211 PolarHBondContact O-N 3.4Å; K211-D316 VanDerWaalsContact NZ-CB 3.26Å; K211-D316 IonicContact NZ-OD2 2.87Å; K211-D316 PolarHBondContact NZ-OD2 3.41Å
212Y92.7Very high91.1Very high98 Ų9839.2 Ų39.238%0.38422%0.215SC..Hα-helixtrans-104.1-10.8-172.5-58.9-58.7000114.3L208 F214 P216L208-Y212 HydrophobicContact CB-CD2 4.47Å; L208-Y212 HydrophobicContact CD2-CD2 4.41Å; L208-Y212 HydrophobicContact CD2-CE2 3.78Å; L208-Y212 VanDerWaalsContact O-CD2 3.32Å; L208-Y212 WeakPolarHBondContact O-CD2 3.45Å; L208-Y212 PolarHBondContact O-N 3.12Å; Y212-F214 WeakPolarHBondContact O-CD1 3.36Å; Y212-F214 WeakPolarHBondContact O-CE1 3.38Å; Y212-F214 PolarHBondContact O-N 3.3Å; Y212-P216 HydrophobicContact CD2-CG 4.23Å; Y212-P216 HydrophobicContact CE2-CG 4.48Å
213G95.1Very high91.1Very high50 Ų5040.8 Ų40.852%0.51522%0.224SC..SBendtrans78.51.3-171.700000114.1C209 Y279C209-G213 CarbonylContact O-C 3.56Å; C209-G213 WeakPolarHBondContact O-CA 3.4Å; C209-G213 PolarHBondContact O-N 3.49Å; G213-Y279 WeakPolarHBondContact O-CD1 3.35Å
214F95.1Very high91.1Very high48 Ų4839.7 Ų39.721%0.21122%0.217CC..SBendtrans-159.4163.8178.360.1-93.7000109.9Y212 P216 Q280 K282 L284Y212-F214 WeakPolarHBondContact O-CD1 3.36Å; Y212-F214 WeakPolarHBondContact O-CE1 3.38Å; Y212-F214 PolarHBondContact O-N 3.3Å; F214-P216 HydrophobicContact CE2-CB 4.16Å; F214-P216 WeakPolarHBondContact O-CD 3.34Å; F214-Q280 WeakPolarHBondContact CB-O 3.47Å; F214-K282 HydrophobicContact CB-CB 4.22Å; F214-K282 HydrophobicContact CD1-CD 4.13Å; F214-K282 HydrophobicContact CD2-CB 3.45Å; F214-K282 VanDerWaalsContact CD2-CB 3.45Å; F214-K282 HydrophobicContact CD2-CD 4.1Å; F214-K282 HydrophobicContact CD2-CG 4.32Å; F214-K282 HydrophobicContact CE1-CD 4.1Å; F214-K282 HydrophobicContact CE2-CB 3.93Å; F214-K282 HydrophobicContact CE2-CD 4.05Å; F214-K282 HydrophobicContact CE2-CG 4.39Å; F214-K282 HydrophobicContact CG-CB 3.89Å; F214-K282 HydrophobicContact CG-CD 4.13Å; F214-K282 HydrophobicContact CZ-CD 4.06Å; F214-L284 HydrophobicContact CE2-CD2 3.97Å; F214-L284 HydrophobicContact CZ-CD2 4.27Å
215M94.5Very high91.2Very high9 Ų937.6 Ų37.64%0.04421%0.207CC..EExtended strand (participates in β ladder)trans-86115.6170.4-178.658.9-175.600109.6V205 L208 H217 Y267 L270 V274 Q280 L281 K282V205-M215 HydrophobicContact CB-SD 4.42Å; V205-M215 HydrophobicContact CG1-CG 4.42Å; V205-M215 HydrophobicContact CG1-SD 3.97Å; V205-M215 HydrophobicContact CG2-CE 4.03Å; V205-M215 HydrophobicContact CG2-SD 4.36Å; L208-M215 HydrophobicContact CB-SD 4.08Å; L208-M215 HydrophobicContact CD1-CE 3.93Å; L208-M215 HydrophobicContact CD1-SD 3.96Å; M215-H217 PolarHBondContact O-N 3.47Å; M215-Y267 HydrophobicContact CE-CE1 4.13Å; M215-L270 HydrophobicContact CE-CD1 4.09Å; M215-V274 HydrophobicContact CB-CG1 3.91Å; M215-V274 HydrophobicContact CB-CG2 3.98Å; M215-V274 HydrophobicContact CG-CG2 4.18Å; M215-Q280 PolarHBondContact N-O 2.78Å; M215-L281 HydrophobicContact CB-CG 4.28Å; M215-L281 HydrophobicContact CG-CG 4.48Å; M215-K282 PolarHBondContact O-N 3.47Å
216P91.7Very high91.3Very high24 Ų2437.9 Ų37.916%0.15621%0.209CC..EExtended strand (participates in β ladder)trans-68.1125.4177.126.7-33.8000111.2Y212 F214 Y267 L284Y212-P216 HydrophobicContact CD2-CG 4.23Å; Y212-P216 HydrophobicContact CE2-CG 4.48Å; F214-P216 HydrophobicContact CE2-CB 4.16Å; F214-P216 WeakPolarHBondContact O-CD 3.34Å; P216-Y267 VanDerWaalsContact O-CE1 3.29Å; P216-Y267 WeakPolarHBondContact O-CE1 3.25Å; P216-L284 HydrophobicContact CB-CD1 3.65Å; P216-L284 HydrophobicContact CB-CG 4.15Å
217H90.1Very high91.4Very high34 Ų3437.6 Ų37.616%0.15721%0.208CC..EExtended strand (participates in β ladder)trans-110.5120.3175.6170.7-150.8000109.8M215 Y267 K282 E283 L284M215-H217 PolarHBondContact O-N 3.47Å; H217-Y267 HydrophobicContact CB-CD1 3.9Å; H217-Y267 HydrophobicContact CB-CE1 4.01Å; H217-Y267 HydrophobicContact CB-CG 4.31Å; H217-Y267 AromaticContact CD2-CD1 3.73Å; H217-Y267 AromaticContact CD2-CD2 3.18Å; H217-Y267 WeakPolarHBondContact CD2-CD2 3.18Å; H217-Y267 AromaticContact CD2-CE2 3.49Å; H217-Y267 VanDerWaalsContact CD2-CE2 3.49Å; H217-Y267 WeakPolarHBondContact CD2-CE2 3.5Å; H217-Y267 AromaticContact CD2-CG 3.29Å; H217-Y267 AromaticContact CD2-CZ 3.88Å; H217-Y267 AromaticContact CG-CD1 3.97Å; H217-Y267 AromaticContact CG-CG 3.87Å; H217-Y267 AromaticContact NE2-CD2 3.66Å; H217-Y267 AromaticContact NE2-CG 3.88Å; H217-K282 PolarHBondContact N-O 3.43Å; H217-E283 WeakPolarHBondContact O-CA 3.15Å; H217-L284 PolarHBondContact O-N 2.95Å
218I85.8Confident91.6Very high19 Ų1934 Ų3410%0.09719%0.194CC..  trans-98111.9170.3-64165000106.9A220 Y288 T291 L323I218-A220 PolarHBondContact O-N 2.94Å; I218-Y288 HydrophobicContact CG2-CD2 4.2Å; I218-T291 HydrophobicContact CD1-CG2 4.04Å; I218-L323 HydrophobicContact CB-CD1 4.47Å; I218-L323 HydrophobicContact CD1-CD1 3.57Å
219A81.2Confident91.9Very high43 Ų4332.8 Ų32.836%0.35519%0.188SC..  trans-62.3120.8-177.800000111E283A219-E283 HydrophobicContact CB-CG 4.16Å
220A82.5Confident92.1Very high25 Ų2532.8 Ų32.821%0.20719%0.188CC..  trans-156.4160.1176.100000110I218 N265 Y288 C327I218-A220 PolarHBondContact O-N 2.94Å; A220-N265 PolarHBondContact O-ND2 3.27Å; A220-Y288 HydrophobicContact CB-CD2 3.89Å; A220-Y288 HydrophobicContact CB-CE2 4.41Å; A220-Y288 HydrophobicContact CB-CG 4.32Å; A220-C327 CarbonylContact C-O 3.56Å; A220-C327 HydrophobicContact CB-CB 3.77Å; A220-C327 WeakPolarHBondContact CB-O 3.46Å
221G84.6Confident92.3Very high55 Ų5526.6 Ų26.657%0.56717%0.165SC*.  trans-893.1-168.800000116.3
222G90.2Very high92.5Very high1 Ų121.9 Ų21.91%0.0114%0.144CC..  trans-65.1150.7-175.800000113.4N265 C327 H329G222-N265 WeakPolarHBondContact O-CA 3.24Å; G222-N265 PolarHBondContact O-ND2 2.79Å; G222-C327 VanDerWaalsContact CA-O 3.27Å; G222-C327 WeakPolarHBondContact CA-O 3.47Å; G222-C327 PolarHBondContact N-O 3.18Å; G222-H329 CarbonylContact C-O 3.52Å; G222-H329 VanDerWaalsContact CA-O 3.24Å; G222-H329 WeakPolarHBondContact CA-O 3.46Å
223V93.7Very high92.8Very high34 Ų3417.2 Ų17.221%0.20613%0.126CC..EExtended strand (participates in β ladder)trans-138145.5177.4-62.40000109.5P263 S264 H329 Y330 L331 Y332V223-P263 HydrophobicContact CB-CB 4.08Å; V223-P263 HydrophobicContact CG2-CB 3.98Å; V223-S264 WeakPolarHBondContact CA-O 3.39Å; V223-H329 PolarHBondContact N-O 2.84Å; V223-Y330 HydrophobicContact CG2-CD1 3.52Å; V223-Y330 HydrophobicContact CG2-CE1 4.19Å; V223-Y330 HydrophobicContact CG2-CG 4.35Å; V223-Y330 CarbonylContact O-C 3.45Å; V223-Y330 WeakPolarHBondContact O-CA 3.31Å; V223-L331 PolarHBondContact O-N 3.02Å; V223-Y332 HydrophobicContact CG2-CD1 4.46Å
224L93.6Very high93Very high3 Ų317.6 Ų17.62%0.01611%0.112CC..EExtended strand (participates in β ladder)trans-139.9153.4179.365.689.6000112.4L192 T226 S264 F266 F326 L331L192-L224 HydrophobicContact CB-CD1 4Å; L192-L224 HydrophobicContact CD2-CD1 3.79Å; L224-T226 HydrophobicContact CD1-CG2 3.58Å; L224-S264 PolarHBondContact N-O 3.2Å; L224-S264 PolarHBondContact O-N 3.41Å; L224-F266 HydrophobicContact CD2-CB 3.93Å; L224-F266 HydrophobicContact CD2-CD2 4.17Å; L224-F266 HydrophobicContact CD2-CG 4.37Å; L224-F326 HydrophobicContact CD2-CD1 4.1Å; L224-L331 CarbonylContact C-O 3.52Å; L224-L331 VanDerWaalsContact CA-O 3.23Å; L224-L331 WeakPolarHBondContact CA-O 3.29Å; L224-L331 HydrophobicContact CB-CB 3.97Å
225D93.5Very high93.1Very high4 Ų415.3 Ų15.32%0.02110%0.102CC..  trans-77.7129.5170.7-86.8-8.3000110.5T191 N258 P263 L331 Y332 V333T191-D225 WeakPolarHBondContact CB-O 3.35Å; T191-D225 HydrophobicContact CG2-CB 3.72Å; T191-D225 PolarHBondContact OG1-O 2.89Å; D225-N258 PolarHBondContact OD2-ND2 3.42Å; D225-P263 WeakPolarHBondContact OD1-CG 3.48Å; D225-L331 PolarHBondContact N-O 3.01Å; D225-Y332 WeakPolarHBondContact OD1-CB 3.42Å; D225-Y332 WeakPolarHBondContact OD2-CA 3.46Å; D225-Y332 WeakPolarHBondContact OD2-CB 3.31Å; D225-V333 PolarHBondContact OD2-N 3.48Å; D225-V333 VanDerWaalsContact OD2-N 3.1Å
226T94.2Very high93.3Very high13 Ų1314.9 Ų14.98%0.0810%0.1CC..EExtended strand (participates in β ladder)trans-109.7142.4168.457.30000110.3L192 L224 F269L192-T226 HydrophobicContact CD2-CG2 4.38Å; L192-T226 CarbonylContact O-C 3.56Å; L192-T226 VanDerWaalsContact O-CA 3.25Å; L192-T226 WeakPolarHBondContact O-CA 3.41Å; L224-T226 HydrophobicContact CD1-CG2 3.58Å; T226-F269 HydrophobicContact CG2-CD1 4.13Å; T226-F269 HydrophobicContact CG2-CD2 3.82Å; T226-F269 HydrophobicContact CG2-CE1 4.11Å; T226-F269 HydrophobicContact CG2-CE2 3.77Å; T226-F269 HydrophobicContact CG2-CG 4.01Å; T226-F269 HydrophobicContact CG2-CZ 3.95Å
227T95.9Very high93.6Very high0 Ų013.9 Ų13.90%09%0.093CC..EExtended strand (participates in β ladder)trans-128133.6-178.9-570000110.9T191 L192 M193 Y194 A229 V232 C257 N258 E259T191-T227 PolarHBondContact OG1-OG1 3.48Å; L192-T227 PolarHBondContact O-N 2.81Å; M193-T227 CarbonylContact C-O 3.48Å; M193-T227 WeakPolarHBondContact CA-O 3.44Å; Y194-T227 WeakPolarHBondContact CD1-O 3.5Å; Y194-T227 VanDerWaalsContact CE1-C 3.4Å; Y194-T227 PolarHBondContact N-O 3.15Å; T227-A229 PolarHBondContact O-N 3.41Å; T227-V232 HydrophobicContact CG2-CG2 3.47Å; T227-V232 VanDerWaalsContact CG2-CG2 3.47Å; T227-C257 PolarHBondContact OG1-O 3.27Å; T227-N258 WeakPolarHBondContact OG1-CA 3.23Å; T227-E259 HydrophobicContact CG2-CG 3.77Å
228Y97.3Very high94Very high0 Ų013.7 Ų13.70%09%0.093CC..EExtended strand (participates in β ladder)trans-66.4130.6175.4-178.9-122.3000110.4H20 R23 Y194 E196 G230 N231 V232 E259 Y348 T353H20-Y228 AromaticContact CE1-CZ 3.81Å; R23-Y228 PolarHBondContact NH1-OH 3.21Å; R23-Y228 PolarHBondContact NH2-OH 2.9Å; Y194-Y228 HydrophobicContact CD2-CD2 4.37Å; Y194-Y228 VanDerWaalsContact CE1-N 3.28Å; Y194-Y228 HydrophobicContact CE2-CD2 4.05Å; Y194-Y228 CarbonylContact O-C 3.6Å; Y194-Y228 WeakPolarHBondContact O-CA 3.31Å; Y194-Y228 WeakPolarHBondContact O-CD2 3.38Å; E196-Y228 PolarHBondContact OE1-OH 2.86Å; E196-Y228 WeakPolarHBondContact OE2-CE2 3.35Å; E196-Y228 VanDerWaalsContact OE2-CZ 3.27Å; E196-Y228 PolarHBondContact OE2-OH 2.94Å; Y228-G230 PolarHBondContact O-N 2.81Å; Y228-G230 VanDerWaalsContact O-N 3.16Å; Y228-N231 WeakPolarHBondContact O-CA 3.31Å; Y228-N231 WeakPolarHBondContact O-CB 3.49Å; Y228-N231 PolarHBondContact O-N 3.31Å; Y228-V232 PolarHBondContact O-N 3.47Å; Y228-E259 WeakPolarHBondContact CA-OE1 3.31Å; Y228-E259 WeakPolarHBondContact CB-OE1 3.48Å; Y228-E259 PolarHBondContact N-OE1 2.85Å; Y228-E259 PolarHBondContact N-OE2 2.85Å; Y228-Y348 AromaticContact CD1-CD2 3.8Å; Y228-Y348 HydrophobicContact CD1-CD2 3.8Å; Y228-Y348 HydrophobicContact CD1-CG 4.02Å; Y228-Y348 HydrophobicContact CE1-CD1 4.4Å; Y228-Y348 AromaticContact CE1-CD2 3.62Å; Y228-Y348 HydrophobicContact CE1-CD2 3.62Å; Y228-Y348 HydrophobicContact CE1-CE2 4.11Å; Y228-Y348 AromaticContact CE1-CG 3.78Å; Y228-Y348 HydrophobicContact CE1-CG 3.78Å; Y228-T353 HydrophobicContact CD1-CG2 3.34Å; Y228-T353 HydrophobicContact CD2-CG2 3.81Å; Y228-T353 HydrophobicContact CE1-CG2 3.71Å; Y228-T353 HydrophobicContact CE2-CG2 4.14Å; Y228-T353 HydrophobicContact CG-CG2 3.4Å; Y228-T353 VanDerWaalsContact CG-CG2 3.4Å
229A97.8Very high94.6Very high0 Ų012.8 Ų12.80%09%0.089CC..Hα-helixtrans-60.1-29.4-178.300000113.1F16 H20 Y194 T227 V232 A233F16-A229 HydrophobicContact CE1-CB 3.77Å; F16-A229 HydrophobicContact CE2-CB 3.72Å; F16-A229 HydrophobicContact CZ-CB 3.28Å; H20-A229 HydrophobicContact CB-CB 4.36Å; H20-A229 VanDerWaalsContact CD2-CB 3.4Å; H20-A229 WeakPolarHBondContact CD2-CB 3.29Å; Y194-A229 PolarHBondContact O-N 3.43Å; T227-A229 PolarHBondContact O-N 3.41Å; A229-V232 PolarHBondContact O-N 3.11Å; A229-A233 WeakPolarHBondContact O-CB 3.42Å; A229-A233 PolarHBondContact O-N 3.18Å
230G97.8Very high95.4Very high0 Ų010.8 Ų10.80%07%0.072CC..Hα-helixtrans-65.9-34.8171.100000113.6H20 Y228 Y234H20-G230 PolarHBondContact ND1-N 3.42Å; Y228-G230 PolarHBondContact O-N 2.81Å; Y228-G230 VanDerWaalsContact O-N 3.16Å; G230-Y234 WeakPolarHBondContact O-CB 3.5Å; G230-Y234 PolarHBondContact O-N 3.49Å
231N97.8Very high96.2Very high0 Ų011.7 Ų11.70%07%0.073CC..Hα-helixtrans-74-32.5175-80.9-31.7000112.1Y228 M235 E259 K347 Y348Y228-N231 WeakPolarHBondContact O-CA 3.31Å; Y228-N231 WeakPolarHBondContact O-CB 3.49Å; Y228-N231 PolarHBondContact O-N 3.31Å; N231-M235 PolarHBondContact O-N 2.97Å; N231-E259 WeakPolarHBondContact CB-OE1 3.35Å; N231-E259 PolarHBondContact ND2-OE1 2.86Å; N231-K347 PolarHBondContact OD1-N 3.49Å; N231-Y348 PolarHBondContact ND2-O 3.31Å; N231-Y348 WeakPolarHBondContact OD1-CD2 3.49Å; N231-Y348 PolarHBondContact OD1-N 2.96Å
232V98.2Very high96.8Very high0 Ų011.3 Ų11.30%06%0.057CC..Hα-helixtrans-64.7-48.6169.9-178.60000110.4L17 P190 M193 T227 Y228 A229 Y234 M235 H236L17-V232 HydrophobicContact CD1-CB 3.91Å; L17-V232 HydrophobicContact CD1-CG1 3.7Å; L17-V232 HydrophobicContact CD2-CG1 4.1Å; P190-V232 HydrophobicContact CB-CG1 3.85Å; P190-V232 HydrophobicContact CB-CG2 3.76Å; P190-V232 HydrophobicContact CG-CG1 4.2Å; M193-V232 HydrophobicContact CG-CG2 4.01Å; M193-V232 HydrophobicContact SD-CB 4.22Å; M193-V232 HydrophobicContact SD-CG1 4.03Å; M193-V232 HydrophobicContact SD-CG2 3.94Å; T227-V232 HydrophobicContact CG2-CG2 3.47Å; T227-V232 VanDerWaalsContact CG2-CG2 3.47Å; Y228-V232 PolarHBondContact O-N 3.47Å; A229-V232 PolarHBondContact O-N 3.11Å; V232-Y234 VanDerWaalsContact C-N 3.33Å; V232-Y234 PolarHBondContact O-N 2.81Å; V232-M235 WeakPolarHBondContact O-CB 2.84Å; V232-M235 PolarHBondContact O-N 3.25Å; V232-M235 VanDerWaalsContact O-N 3.17Å; V232-H236 PolarHBondContact O-N 2.74Å; V232-H236 PolarHBondContact O-ND1 3.17Å
233A98.5Very high97.1Very high0 Ų011.3 Ų11.30%06%0.057CC..Hα-helixtrans-58.4-43.1175.800000112.2L17 H20 L21 E24 A229 M235 H236 L237L17-A233 HydrophobicContact CD1-CB 4.35Å; H20-A233 HydrophobicContact CB-CB 3.85Å; L21-A233 HydrophobicContact CB-CB 4.26Å; L21-A233 HydrophobicContact CD1-CB 4.35Å; E24-A233 HydrophobicContact CG-CB 3.66Å; A229-A233 WeakPolarHBondContact O-CB 3.42Å; A229-A233 PolarHBondContact O-N 3.18Å; A233-M235 VanDerWaalsContact C-N 3.34Å; A233-M235 PolarHBondContact O-N 3.26Å; A233-H236 WeakPolarHBondContact O-CB 3.45Å; A233-H236 PolarHBondContact O-N 3.01Å; A233-H236 VanDerWaalsContact O-N 3.1Å; A233-L237 PolarHBondContact O-N 3.1Å
234Y98.2Very high97.2Very high58 Ų5813 Ų1323%0.2276%0.061CC..Hα-helixtrans-60.6-42.4174.8178-118.6000112L28 G230 V232 H236 L237 L238 Y344 K345 K347L28-Y234 HydrophobicContact CD1-CD2 3.72Å; L28-Y234 HydrophobicContact CD1-CE2 3.88Å; G230-Y234 WeakPolarHBondContact O-CB 3.5Å; G230-Y234 PolarHBondContact O-N 3.49Å; V232-Y234 VanDerWaalsContact C-N 3.33Å; V232-Y234 PolarHBondContact O-N 2.81Å; Y234-H236 VanDerWaalsContact C-N 3.27Å; Y234-H236 PolarHBondContact O-N 3.17Å; Y234-L237 PolarHBondContact O-N 3.36Å; Y234-L237 VanDerWaalsContact O-N 3.14Å; Y234-L238 HydrophobicContact CD1-CD1 4.26Å; Y234-L238 HydrophobicContact CE1-CD1 3.74Å; Y234-L238 HydrophobicContact CE1-CG 4.26Å; Y234-L238 HydrophobicContact CE2-CD2 4.2Å; Y234-L238 HydrophobicContact CE2-CG 4.35Å; Y234-L238 PolarHBondContact O-N 2.98Å; Y234-L238 VanDerWaalsContact O-N 3.13Å; Y234-Y344 HydrophobicContact CD1-CD2 4.49Å; Y234-Y344 HydrophobicContact CD1-CE2 4.25Å; Y234-K345 WeakPolarHBondContact CE1-O 3.5Å; Y234-K347 HydrophobicContact CD1-CB 3.7Å; Y234-K347 HydrophobicContact CD2-CB 4.4Å; Y234-K347 HydrophobicContact CD2-CD 4.09Å; Y234-K347 HydrophobicContact CE1-CB 4Å; Y234-K347 HydrophobicContact CE2-CD 4.49Å; Y234-K347 HydrophobicContact CG-CB 3.92Å; Y234-K347 HydrophobicContact CG-CD 4.29Å
235M98.3Very high97.4Very high0 Ų018.9 Ų18.90%09%0.092CC..Hα-helixtrans-61.5-35.3174.4-171.6-178.6-75.600112.3I188 N231 V232 A233 L237 L238 A239 V255 C257 A338 L342 Y344I188-M235 HydrophobicContact CD1-CB 4.39Å; I188-M235 HydrophobicContact CD1-CG 3.99Å; I188-M235 HydrophobicContact CD1-SD 4.48Å; I188-M235 HydrophobicContact CG1-CG 4.44Å; I188-M235 HydrophobicContact CG1-SD 4.33Å; I188-M235 HydrophobicContact CG2-CG 4.44Å; I188-M235 HydrophobicContact CG2-SD 3.72Å; N231-M235 PolarHBondContact O-N 2.97Å; V232-M235 WeakPolarHBondContact O-CB 2.84Å; V232-M235 PolarHBondContact O-N 3.25Å; V232-M235 VanDerWaalsContact O-N 3.17Å; A233-M235 VanDerWaalsContact C-N 3.34Å; A233-M235 PolarHBondContact O-N 3.26Å; M235-L237 VanDerWaalsContact C-N 3.29Å; M235-L237 PolarHBondContact O-N 2.81Å; M235-L238 PolarHBondContact O-N 2.91Å; M235-A239 WeakPolarHBondContact O-CB 3.49Å; M235-A239 PolarHBondContact O-N 3.01Å; M235-V255 HydrophobicContact SD-CG2 4.09Å; M235-C257 HydrophobicContact CE-CB 3.67Å; M235-C257 VanDerWaalsContact CE-SG 3.53Å; M235-C257 HydrophobicContact SD-CB 3.52Å; M235-C257 VanDerWaalsContact SD-CB 3.52Å; M235-A338 HydrophobicContact CE-CB 3.56Å; M235-A338 HydrophobicContact SD-CB 4.17Å; M235-L342 HydrophobicContact CG-CD1 3.9Å; M235-L342 HydrophobicContact SD-CD1 4.42Å; M235-Y344 HydrophobicContact CB-CD2 3.88Å; M235-Y344 HydrophobicContact CB-CE2 3.71Å; M235-Y344 HydrophobicContact CE-CD1 3.21Å; M235-Y344 HydrophobicContact CE-CD2 3.5Å; M235-Y344 VanDerWaalsContact CE-CD2 3.5Å; M235-Y344 HydrophobicContact CE-CE1 3.3Å; M235-Y344 HydrophobicContact CE-CE2 3.58Å; M235-Y344 HydrophobicContact CE-CG 3.29Å; M235-Y344 VanDerWaalsContact CE-CZ 3.47Å; M235-Y344 HydrophobicContact CG-CD2 4Å; M235-Y344 HydrophobicContact CG-CE2 4.25Å; M235-Y344 HydrophobicContact CG-CG 4.48Å
236H98.7Very high97.5Very high0 Ų022 Ų220%011%0.107CC..Hα-helixtrans-59.9-40.9175-75.263.3000111.4L21 F80 I122 T124 I188 V232 A233 Y234 A239 A240L21-H236 HydrophobicContact CD1-CB 3.78Å; F80-H236 HydrophobicContact CD1-CB 3.97Å; F80-H236 HydrophobicContact CE1-CB 3.91Å; I122-H236 HydrophobicContact CG2-CB 4.22Å; I122-H236 VanDerWaalsContact CG2-CD2 3.47Å; I122-H236 WeakPolarHBondContact CG2-CD2 3.31Å; T124-H236 PolarHBondContact OG1-NE2 2.84Å; I188-H236 VanDerWaalsContact CD1-CA 3.42Å; I188-H236 HydrophobicContact CD1-CB 4.06Å; I188-H236 WeakPolarHBondContact CD1-ND1 3.31Å; V232-H236 PolarHBondContact O-N 2.74Å; V232-H236 PolarHBondContact O-ND1 3.17Å; A233-H236 WeakPolarHBondContact O-CB 3.45Å; A233-H236 PolarHBondContact O-N 3.01Å; A233-H236 VanDerWaalsContact O-N 3.1Å; Y234-H236 VanDerWaalsContact C-N 3.27Å; Y234-H236 PolarHBondContact O-N 3.17Å; H236-A239 PolarHBondContact O-N 3.37Å; H236-A240 WeakPolarHBondContact O-CB 3.34Å; H236-A240 PolarHBondContact O-N 2.98Å
237L98.5Very high97.5Very high2 Ų223.1 Ų23.11%0.0111%0.114CC..Hα-helixtrans-67.1-42.3177.3-56.9-160.5000112.1L21 E24 I25 L28 W29 F80 A233 Y234 M235 A239 A240 D241L21-L237 HydrophobicContact CD1-CD2 3.62Å; L21-L237 HydrophobicContact CD1-CG 4.39Å; E24-L237 HydrophobicContact CB-CD1 3.71Å; E24-L237 HydrophobicContact CB-CG 4.31Å; I25-L237 HydrophobicContact CD1-CD2 4.29Å; I25-L237 HydrophobicContact CG1-CD1 4.2Å; I25-L237 HydrophobicContact CG1-CD2 3.63Å; L28-L237 HydrophobicContact CB-CD1 4.4Å; L28-L237 HydrophobicContact CD1-CD1 4.36Å; W29-L237 HydrophobicContact CD2-CD1 4.08Å; W29-L237 HydrophobicContact CD2-CD2 4.22Å; W29-L237 HydrophobicContact CE3-CD2 4.11Å; W29-L237 HydrophobicContact CG-CD1 4.24Å; W29-L237 HydrophobicContact CH2-CD2 3.93Å; W29-L237 HydrophobicContact CZ2-CB 3.77Å; W29-L237 HydrophobicContact CZ2-CD2 3.96Å; W29-L237 HydrophobicContact CZ2-CG 4.3Å; W29-L237 WeakPolarHBondContact CZ2-O 3.16Å; W29-L237 HydrophobicContact CZ3-CD2 3.98Å; F80-L237 HydrophobicContact CE1-CD2 4.19Å; F80-L237 HydrophobicContact CZ-CD2 3.91Å; A233-L237 PolarHBondContact O-N 3.1Å; Y234-L237 PolarHBondContact O-N 3.36Å; Y234-L237 VanDerWaalsContact O-N 3.14Å; M235-L237 VanDerWaalsContact C-N 3.29Å; M235-L237 PolarHBondContact O-N 2.81Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A239 PolarHBondContact O-N 3.45Å; L237-A240 PolarHBondContact O-N 2.93Å; L237-D241 PolarHBondContact O-N 3.38Å
238L98.3Very high97.3Very high31 Ų3128.9 Ų28.916%0.16215%0.145CC..Hα-helixtrans-62-41.4175.1-62.8-177.9000112Y234 M235 A240 D241 M242 L342 Y344Y234-L238 HydrophobicContact CD1-CD1 4.26Å; Y234-L238 HydrophobicContact CE1-CD1 3.74Å; Y234-L238 HydrophobicContact CE1-CG 4.26Å; Y234-L238 HydrophobicContact CE2-CD2 4.2Å; Y234-L238 HydrophobicContact CE2-CG 4.35Å; Y234-L238 PolarHBondContact O-N 2.98Å; Y234-L238 VanDerWaalsContact O-N 3.13Å; M235-L238 PolarHBondContact O-N 2.91Å; L238-A240 VanDerWaalsContact C-N 3.34Å; L238-D241 PolarHBondContact O-N 3Å; L238-M242 VanDerWaalsContact O-CB 3.31Å; L238-M242 WeakPolarHBondContact O-CB 3.37Å; L238-M242 PolarHBondContact O-N 2.69Å; L238-L342 HydrophobicContact CB-CB 4.28Å; L238-Y344 HydrophobicContact CD1-CD2 3.95Å
239A98.5Very high97.1Very high0 Ų035.7 Ų35.70%018%0.177CC..Hα-helixtrans-62.5-42175.400000111.7I122 I186 I188 M235 H236 L237 M242 L243 L342I122-A239 HydrophobicContact CD1-CB 3.97Å; I122-A239 HydrophobicContact CG2-CB 4.4Å; I186-A239 HydrophobicContact CB-CB 4.34Å; I186-A239 HydrophobicContact CD1-CB 4.2Å; I186-A239 WeakPolarHBondContact CD1-O 3.33Å; I186-A239 HydrophobicContact CG2-CB 3.99Å; I188-A239 HydrophobicContact CD1-CB 3.79Å; I188-A239 HydrophobicContact CG1-CB 4.38Å; M235-A239 WeakPolarHBondContact O-CB 3.49Å; M235-A239 PolarHBondContact O-N 3.01Å; H236-A239 PolarHBondContact O-N 3.37Å; L237-A239 VanDerWaalsContact C-N 3.33Å; L237-A239 PolarHBondContact O-N 3.45Å; A239-M242 PolarHBondContact O-N 3.1Å; A239-L243 WeakPolarHBondContact O-CB 3.33Å; A239-L243 PolarHBondContact O-N 3.42Å; A239-L342 HydrophobicContact CB-CD1 3.89Å; A239-L342 HydrophobicContact CB-CD2 4.31Å
240A98.4Very high97Very high0 Ų035.7 Ų35.70%018%0.177CC..Hα-helixtrans-64.5-47.2176.300000113.1W29 I78 F80 I122 H236 L237 L238 M242 L243 K244W29-A240 HydrophobicContact CH2-CB 3.49Å; W29-A240 VanDerWaalsContact CH2-CB 3.49Å; W29-A240 HydrophobicContact CZ2-CB 3.97Å; I78-A240 HydrophobicContact CD1-CB 3.47Å; I78-A240 VanDerWaalsContact CD1-CB 3.47Å; F80-A240 HydrophobicContact CE1-CB 3.94Å; F80-A240 HydrophobicContact CZ-CB 3.71Å; I122-A240 HydrophobicContact CD1-CB 4.27Å; I122-A240 HydrophobicContact CG1-CB 3.95Å; H236-A240 WeakPolarHBondContact O-CB 3.34Å; H236-A240 PolarHBondContact O-N 2.98Å; L237-A240 PolarHBondContact O-N 2.93Å; L238-A240 VanDerWaalsContact C-N 3.34Å; A240-M242 VanDerWaalsContact C-N 3.32Å; A240-M242 PolarHBondContact O-N 3.38Å; A240-L243 PolarHBondContact O-N 3.03Å; A240-K244 WeakPolarHBondContact O-CB 3.44Å; A240-K244 VanDerWaalsContact O-CG 3.31Å; A240-K244 WeakPolarHBondContact O-CG 3.24Å; A240-K244 PolarHBondContact O-N 3.12Å
241D97.6Very high96.9Very high44 Ų4436.9 Ų36.924%0.23518%0.183CC..Hα-helixtrans-58.7-45.4175.5-83.6-35.2000110.4W29 K32 L237 L238 K244 L245W29-D241 PolarHBondContact NE1-OD2 3.03Å; K32-D241 IonicContact NZ-OD1 3.19Å; K32-D241 PolarHBondContact NZ-OD1 3.15Å; K32-D241 IonicContact NZ-OD2 3.88Å; K32-D241 PolarHBondContact NZ-OD2 3.02Å; L237-D241 PolarHBondContact O-N 3.38Å; L238-D241 PolarHBondContact O-N 3Å; D241-K244 PolarHBondContact O-N 3.38Å; D241-L245 VanDerWaalsContact O-CG 3.29Å; D241-L245 WeakPolarHBondContact O-CG 3.4Å; D241-L245 PolarHBondContact O-N 3.37Å; D241-L245 VanDerWaalsContact O-N 3.11Å
242M97.7Very high96.7Very high48 Ų4837.6 Ų37.624%0.23619%0.19CC..Hα-helixtrans-66.5-42.8179.7-169.463.5-17700112.8L238 A239 A240 K244 L245 H246 L341 L342L238-M242 VanDerWaalsContact O-CB 3.31Å; L238-M242 WeakPolarHBondContact O-CB 3.37Å; L238-M242 PolarHBondContact O-N 2.69Å; A239-M242 PolarHBondContact O-N 3.1Å; A240-M242 VanDerWaalsContact C-N 3.32Å; A240-M242 PolarHBondContact O-N 3.38Å; M242-K244 VanDerWaalsContact C-N 3.3Å; M242-K244 PolarHBondContact O-N 2.88Å; M242-L245 PolarHBondContact O-N 3.01Å; M242-H246 HydrophobicContact CE-CB 4.44Å; M242-H246 PolarHBondContact O-N 2.85Å; M242-L341 HydrophobicContact CE-CD1 4.3Å; M242-L342 HydrophobicContact CB-CD2 3.72Å; M242-L342 HydrophobicContact CG-CD2 3.93Å
243L97.1Very high96.6Very high0 Ų040.5 Ų40.50%020%0.204CC..Hα-helixtrans-62.9-36.8177.7-176.159.4000111.9Y120 I122 K184 I186 A239 A240 P247 C250Y120-L243 HydrophobicContact CD1-CD2 4.18Å; Y120-L243 HydrophobicContact CD1-CG 3.94Å; I122-L243 HydrophobicContact CD1-CB 4.44Å; I122-L243 HydrophobicContact CD1-CD2 3.74Å; K184-L243 HydrophobicContact CB-CD1 3.83Å; K184-L243 HydrophobicContact CB-CG 4.35Å; I186-L243 HydrophobicContact CD1-CB 3.84Å; I186-L243 HydrophobicContact CD1-CD1 4.35Å; I186-L243 HydrophobicContact CG1-CB 4.19Å; I186-L243 HydrophobicContact CG1-CD1 3.99Å; I186-L243 HydrophobicContact CG1-CD2 4.31Å; I186-L243 HydrophobicContact CG1-CG 4.39Å; A239-L243 WeakPolarHBondContact O-CB 3.33Å; A239-L243 PolarHBondContact O-N 3.42Å; A240-L243 PolarHBondContact O-N 3.03Å; L243-P247 WeakPolarHBondContact O-CA 3.24Å; L243-P247 WeakPolarHBondContact O-CB 3.42Å; L243-C250 HydrophobicContact CD1-CB 3.93Å
244K96.2Very high96.4Very high69 Ų6941.2 Ų41.230%0.321%0.208SC..Hα-helixtrans-70.1-35175.8-73.5179.860.4170.40112.6D6 Y120 A240 D241 M242D6-K244 IonicContact OD1-NZ 2.91Å; D6-K244 PolarHBondContact OD1-NZ 3.36Å; D6-K244 IonicContact OD2-NZ 3.91Å; D6-K244 PolarHBondContact OD2-NZ 3.48Å; Y120-K244 HydrophobicContact CD2-CD 4.34Å; Y120-K244 HydrophobicContact CD2-CG 3.71Å; Y120-K244 HydrophobicContact CE2-CD 4.47Å; Y120-K244 HydrophobicContact CE2-CG 3.71Å; Y120-K244 HydrophobicContact CG-CG 4.19Å; A240-K244 WeakPolarHBondContact O-CB 3.44Å; A240-K244 VanDerWaalsContact O-CG 3.31Å; A240-K244 WeakPolarHBondContact O-CG 3.24Å; A240-K244 PolarHBondContact O-N 3.12Å; D241-K244 PolarHBondContact O-N 3.38Å; M242-K244 VanDerWaalsContact C-N 3.3Å; M242-K244 PolarHBondContact O-N 2.88Å
245L96.5Very high96.4Very high127 Ų12738.5 Ų38.567%0.66520%0.198SC*.Hα-helixtrans-74.7-41.6178.6-71169.9000112.4D241 M242 P247D241-L245 VanDerWaalsContact O-CG 3.29Å; D241-L245 WeakPolarHBondContact O-CG 3.4Å; D241-L245 PolarHBondContact O-N 3.37Å; D241-L245 VanDerWaalsContact O-N 3.11Å; M242-L245 PolarHBondContact O-N 3.01Å; L245-P247 VanDerWaalsContact C-CD 3.49Å
246H96.4Very high96.3Very high71 Ų7138.5 Ų38.533%0.32920%0.198SC..SBendtrans-129.663.5-174.1-63.3-83.1000111.9M242 D248 E249 C250M242-H246 HydrophobicContact CE-CB 4.44Å; M242-H246 PolarHBondContact O-N 2.85Å; H246-D248 PolarHBondContact O-N 2.99Å; H246-E249 HydrophobicContact CB-CB 4.19Å; H246-E249 IonicContact CE1-OE1 4Å; H246-E249 IonicContact CG-OE1 2.74Å; H246-E249 IonicContact ND1-OE1 3.84Å; H246-E249 PolarHBondContact ND1-OE1 3.16Å; H246-E249 PolarHBondContact O-N 2.72Å; H246-C250 WeakPolarHBondContact O-CB 3.19Å; H246-C250 PolarHBondContact O-N 3.27Å; H246-C250 PolarHBondContact O-SG 3.11Å; H246-C250 VanDerWaalsContact O-SG 3.41Å
247P93.9Very high96.2Very high35 Ų3538.5 Ų38.523%0.22720%0.198CC..THydrogen-bonded Turntrans-63.5-35.3-168.624-35.3000114.5Y120 K184 L243 L245 N251Y120-P247 HydrophobicContact CE1-CB 4.05Å; K184-P247 HydrophobicContact CG-CB 4.13Å; L243-P247 WeakPolarHBondContact O-CA 3.24Å; L243-P247 WeakPolarHBondContact O-CB 3.42Å; L245-P247 VanDerWaalsContact C-CD 3.49Å; P247-N251 WeakPolarHBondContact O-CB 3.45Å; P247-N251 PolarHBondContact O-N 3.49Å
248D92.3Very high95.8Very high122 Ų12238.7 Ų38.765%0.65220%0.199SC*.THydrogen-bonded Turntrans-80.8-34.1180-68.2-42.2000112.5K184 H246K184-D248 WeakPolarHBondContact CE-OD1 3.45Å; K184-D248 IonicContact NZ-OD1 3.52Å; K184-D248 PolarHBondContact NZ-OD1 2.84Å; H246-D248 PolarHBondContact O-N 2.99Å
249E93.3Very high95.3Very high142 Ų14237.8 Ų37.866%0.66419%0.194SC*.THydrogen-bonded Turntrans-75.7-36.2180-59.1174.9-113.900111.9H246H246-E249 HydrophobicContact CB-CB 4.19Å; H246-E249 IonicContact CE1-OE1 4Å; H246-E249 IonicContact CG-OE1 2.74Å; H246-E249 IonicContact ND1-OE1 3.84Å; H246-E249 PolarHBondContact ND1-OE1 3.16Å; H246-E249 PolarHBondContact O-N 2.72Å
250C94.6Very high94.3Very high1 Ų141.4 Ų41.41%0.00722%0.218CC..SBendtrans-89.5-7.6-177.3-61.80000113.8I186 L243 H246 G252 E253I186-C250 HydrophobicContact CD1-CB 3.82Å; I186-C250 HydrophobicContact CG1-CB 4.17Å; L243-C250 HydrophobicContact CD1-CB 3.93Å; H246-C250 WeakPolarHBondContact O-CB 3.19Å; H246-C250 PolarHBondContact O-N 3.27Å; H246-C250 PolarHBondContact O-SG 3.11Å; H246-C250 VanDerWaalsContact O-SG 3.41Å; C250-G252 PolarHBondContact O-N 2.99Å; C250-E253 VanDerWaalsContact O-CB 3.29Å; C250-E253 WeakPolarHBondContact O-CB 3.42Å; C250-E253 WeakPolarHBondContact O-CG 3.49Å; C250-E253 PolarHBondContact O-N 3.2Å; C250-E253 VanDerWaalsContact O-N 3.08Å
251N95Very high93.6Very high25 Ų2543.3 Ų43.313%0.13423%0.23CC..THydrogen-bonded Turntrans-64.3124.8-174.7-173.534000112.5N173 K184 V185 P247N173-N251 PolarHBondContact O-ND2 2.97Å; K184-N251 VanDerWaalsContact CA-OD1 3.32Å; K184-N251 WeakPolarHBondContact CA-OD1 3.36Å; K184-N251 HydrophobicContact CD-CB 4.02Å; V185-N251 PolarHBondContact N-OD1 2.95Å; P247-N251 WeakPolarHBondContact O-CB 3.45Å; P247-N251 PolarHBondContact O-N 3.49Å
252G94.7Very high93.1Very high14 Ų1447.3 Ų47.314%0.14426%0.256CS..THydrogen-bonded Turntrans77.510.7-178.600000113.3C170 V185 C250 V254C170-G252 WeakPolarHBondContact CB-O 3.38Å; V185-G252 PolarHBondContact O-N 3.21Å; C250-G252 PolarHBondContact O-N 2.99Å; G252-V254 PolarHBondContact O-N 2.99Å
253E95.4Very high92.8Very high61 Ų6146.7 Ų46.729%0.28526%0.256SS..EExtended strand (participates in β ladder)trans-70.4133174.6-71-64.4171.400110.9I186 A187 C250 K337 L341I186-E253 CarbonylContact C-O 3.58Å; I186-E253 WeakPolarHBondContact CA-O 3.47Å; A187-E253 PolarHBondContact N-O 3.38Å; C250-E253 VanDerWaalsContact O-CB 3.29Å; C250-E253 WeakPolarHBondContact O-CB 3.42Å; C250-E253 WeakPolarHBondContact O-CG 3.49Å; C250-E253 PolarHBondContact O-N 3.2Å; C250-E253 VanDerWaalsContact O-N 3.08Å; E253-K337 WeakPolarHBondContact OE2-CE 3.44Å; E253-K337 IonicContact OE2-NZ 2.65Å; E253-K337 PolarHBondContact OE2-NZ 2.98Å; E253-L341 HydrophobicContact CB-CD2 3.83Å; E253-L341 HydrophobicContact CG-CD2 3.93Å
254V95.8Very high92.5Very high16 Ų1648.4 Ų48.410%0.09727%0.267CS..EExtended strand (participates in β ladder)trans-113129.9176-174.60000108.7E141 E166 C170 A187 R189 G252 K337E141-V254 HydrophobicContact CG-CG1 4.45Å; E141-V254 WeakPolarHBondContact CG-O 3.25Å; E166-V254 HydrophobicContact CG-CG2 4.21Å; E166-V254 WeakPolarHBondContact OE2-CG1 3.44Å; C170-V254 HydrophobicContact CB-CG2 3.8Å; A187-V254 HydrophobicContact CB-CG1 4.28Å; A187-V254 HydrophobicContact CB-CG2 4.18Å; A187-V254 CarbonylContact O-C 3.56Å; A187-V254 WeakPolarHBondContact O-CA 3.27Å; R189-V254 HydrophobicContact CG-CG1 3.95Å; R189-V254 VanDerWaalsContact NE-CG1 3.26Å; G252-V254 PolarHBondContact O-N 2.99Å; V254-K337 WeakPolarHBondContact O-CD 3.34Å; V254-K337 VanDerWaalsContact O-CE 3.32Å; V254-K337 WeakPolarHBondContact O-CE 3.41Å; V254-K337 PolarHBondContact O-NZ 3.32Å
255V96.7Very high92.4Very high0 Ų046.4 Ų46.40%026%0.26CS..EExtended strand (participates in β ladder)trans-131.4136.5-179-640000112E141 I186 A187 I188 R189 M235 K337 A338 L341 L342E141-V255 WeakPolarHBondContact OE1-CA 3.48Å; I186-V255 HydrophobicContact CG2-CG2 4.4Å; A187-V255 PolarHBondContact O-N 3.47Å; I188-V255 CarbonylContact C-O 3.55Å; I188-V255 WeakPolarHBondContact CA-O 3.21Å; I188-V255 HydrophobicContact CG1-CG2 3.9Å; R189-V255 PolarHBondContact N-O 3.2Å; M235-V255 HydrophobicContact SD-CG2 4.09Å; V255-K337 HydrophobicContact CG1-CD 4.1Å; V255-K337 HydrophobicContact CG1-CG 4.06Å; V255-A338 HydrophobicContact CB-CB 4.12Å; V255-L341 HydrophobicContact CG1-CD2 4.09Å; V255-L342 HydrophobicContact CG2-CD1 3.98Å
256N96.7Very high92.2Very high0 Ų040.8 Ų40.80%023%0.23CC..EExtended strand (participates in β ladder)trans-78.9139.7171.6-68.2-30.9000110.9E141 R189 V333 N334 S335E141-N256 HydrophobicContact CG-CB 4.45Å; E141-N256 PolarHBondContact OE1-N 3.22Å; R189-N256 WeakPolarHBondContact CD-OD1 3.41Å; R189-N256 WeakPolarHBondContact O-CA 3.12Å; N256-V333 HydrophobicContact CB-CB 4.23Å; N256-V333 HydrophobicContact CB-CG2 3.89Å; N256-N334 WeakPolarHBondContact CB-O 3.38Å; N256-N334 PolarHBondContact ND2-O 3.13Å; N256-N334 VanDerWaalsContact ND2-O 3.1Å; N256-S335 WeakPolarHBondContact O-CB 3.41Å
257C95.9Very high92.1Very high0 Ų038.3 Ų38.30%022%0.218CC..EExtended strand (participates in β ladder)trans-113.4111.3176-175.80000110.6I188 R189 T191 T227 M235I188-C257 HydrophobicContact CG2-CB 3.83Å; R189-C257 PolarHBondContact O-N 2.91Å; T191-C257 PolarHBondContact N-O 3.05Å; T227-C257 PolarHBondContact OG1-O 3.27Å; M235-C257 HydrophobicContact CE-CB 3.67Å; M235-C257 VanDerWaalsContact CE-SG 3.53Å; M235-C257 HydrophobicContact SD-CB 3.52Å; M235-C257 VanDerWaalsContact SD-CB 3.52Å
258N91.8Very high92Very high7 Ų741.2 Ų41.24%0.03724%0.235CC..  trans-140167.3168.477.7-7.2000111.7T191 D225 T227 V333 S335 Y344T191-N258 HydrophobicContact CG2-CB 4.28Å; D225-N258 PolarHBondContact OD2-ND2 3.42Å; T227-N258 WeakPolarHBondContact OG1-CA 3.23Å; N258-V333 HydrophobicContact CB-CG2 4.24Å; N258-V333 PolarHBondContact ND2-O 2.83Å; N258-S335 WeakPolarHBondContact OD1-CB 3.35Å; N258-S335 PolarHBondContact OD1-OG 3.15Å; N258-Y344 WeakPolarHBondContact O-CE1 3.18Å
259E86.6Confident92.1Very high12 Ų1236 Ų366%0.05621%0.207CC..  trans-94.34.3-175.4-52.6-171.3134.500113.5Y194 T227 Y228 N231 T261 P346Y194-E259 PolarHBondContact OH-OE2 3.46Å; Y194-E259 VanDerWaalsContact OH-OE2 3.12Å; T227-E259 HydrophobicContact CG2-CG 3.77Å; Y228-E259 WeakPolarHBondContact CA-OE1 3.31Å; Y228-E259 WeakPolarHBondContact CB-OE1 3.48Å; Y228-E259 PolarHBondContact N-OE1 2.85Å; Y228-E259 PolarHBondContact N-OE2 2.85Å; N231-E259 WeakPolarHBondContact CB-OE1 3.35Å; N231-E259 PolarHBondContact ND2-OE1 2.86Å; E259-T261 HydrophobicContact CB-CG2 3.99Å; E259-T261 PolarHBondContact O-N 3.47Å; E259-P346 HydrophobicContact CB-CG 4.26Å
260C78.7Confident92.1Very high75 Ų7529.3 Ų29.351%0.50718%0.175SC..  trans49.532.9-168.3-71.80000113.7R339C260-R339 PolarHBondContact SG-NH2 3.3Å
261T82.4Confident92.1Very high40 Ų4034.1 Ų34.125%0.24520%0.196CC..PPolyproline II helixtrans-76.5159.9166.944.20000110.2E259 P263 P350E259-T261 HydrophobicContact CB-CG2 3.99Å; E259-T261 PolarHBondContact O-N 3.47Å; T261-P263 WeakPolarHBondContact O-CD 3.36Å; T261-P350 HydrophobicContact CG2-CB 3.69Å; T261-P350 HydrophobicContact CG2-CG 3.23Å
262T87.5Confident92.2Very high128 Ų12835 Ų3579%0.78520%0.204SC*.PPolyproline II helixtrans-67.9125171-55.50000108.8S264T262-S264 PolarHBondContact O-N 2.83Å
263P91.1Very high92.2Very high36 Ų3634.4 Ų34.423%0.23420%0.197CC..PPolyproline II helixtrans-55.3138.8174.8-20.729000110.1V223 D225 T261 Y332V223-P263 HydrophobicContact CB-CB 4.08Å; V223-P263 HydrophobicContact CG2-CB 3.98Å; D225-P263 WeakPolarHBondContact OD1-CG 3.48Å; T261-P263 WeakPolarHBondContact O-CD 3.36Å; P263-Y332 HydrophobicContact CB-CD1 4.11Å; P263-Y332 HydrophobicContact CB-CG 4.32Å; P263-Y332 HydrophobicContact CG-CD1 3.71Å; P263-Y332 HydrophobicContact CG-CD2 4.21Å; P263-Y332 HydrophobicContact CG-CE1 4.45Å; P263-Y332 HydrophobicContact CG-CG 3.57Å
264S92Very high92.3Very high35 Ų3531.6 Ų31.625%0.24518%0.184CC..BIsolated β-bridgetrans-127.2157.4-177.269.70000111.4V223 L224 T262 F266V223-S264 WeakPolarHBondContact CA-O 3.39Å; L224-S264 PolarHBondContact N-O 3.2Å; L224-S264 PolarHBondContact O-N 3.41Å; T262-S264 PolarHBondContact O-N 2.83Å; S264-F266 PolarHBondContact O-N 3.46Å
265N92.8Very high92.3Very high27 Ų2735.7 Ų35.714%0.14420%0.202CC..  trans-65135.2173.5176.7-87.2000109.8A220 G222 Y267 T268 F269A220-N265 PolarHBondContact O-ND2 3.27Å; G222-N265 WeakPolarHBondContact O-CA 3.24Å; G222-N265 PolarHBondContact O-ND2 2.79Å; N265-Y267 VanDerWaalsContact C-N 3.28Å; N265-Y267 PolarHBondContact O-N 3.46Å; N265-Y267 WeakPolarHBondContact OD1-CB 3.37Å; N265-Y267 PolarHBondContact OD1-N 3.03Å; N265-T268 WeakPolarHBondContact O-CA 3.38Å; N265-T268 WeakPolarHBondContact O-CB 3.47Å; N265-T268 PolarHBondContact O-N 2.96Å; N265-T268 PolarHBondContact OD1-N 3.05Å; N265-F269 PolarHBondContact O-N 2.93Å
266F93Very high92.2Very high10 Ų1037 Ų374%0.04421%0.213CC..Hα-helixtrans-54.1-41.5-177178.6-116.7000113.3L192 F201 L224 S264 F269 L270 F326L192-F266 HydrophobicContact CD2-CD2 4.06Å; L192-F266 HydrophobicContact CD2-CE2 3.87Å; F201-F266 HydrophobicContact CD2-CE2 4.25Å; F201-F266 HydrophobicContact CD2-CZ 4.33Å; L224-F266 HydrophobicContact CD2-CB 3.93Å; L224-F266 HydrophobicContact CD2-CD2 4.17Å; L224-F266 HydrophobicContact CD2-CG 4.37Å; S264-F266 PolarHBondContact O-N 3.46Å; F266-F269 WeakPolarHBondContact O-CB 3.25Å; F266-F269 PolarHBondContact O-N 3.1Å; F266-L270 HydrophobicContact CD1-CD1 3.84Å; F266-L270 HydrophobicContact CD1-CG 4.3Å; F266-L270 HydrophobicContact CD2-CG 4.26Å; F266-L270 HydrophobicContact CE1-CD1 3.25Å; F266-L270 HydrophobicContact CE1-CG 3.96Å; F266-L270 HydrophobicContact CE2-CD1 4.07Å; F266-L270 HydrophobicContact CE2-CD2 4Å; F266-L270 HydrophobicContact CE2-CG 3.88Å; F266-L270 HydrophobicContact CG-CD1 4.48Å; F266-L270 HydrophobicContact CG-CG 4.47Å; F266-L270 HydrophobicContact CZ-CD1 3.4Å; F266-L270 HydrophobicContact CZ-CD2 3.95Å; F266-L270 HydrophobicContact CZ-CG 3.74Å; F266-L270 WeakPolarHBondContact O-CB 3.26Å; F266-L270 WeakPolarHBondContact O-CG 3.28Å; F266-L270 PolarHBondContact O-N 3.13Å; F266-F326 HydrophobicContact CB-CB 4.42Å; F266-F326 HydrophobicContact CB-CD1 4.33Å; F266-F326 WeakPolarHBondContact CB-O 3.48Å; F266-F326 HydrophobicContact CD1-CB 3.73Å; F266-F326 AromaticContact CD1-CD1 3.65Å; F266-F326 HydrophobicContact CD1-CD1 3.65Å; F266-F326 HydrophobicContact CD1-CE1 4.46Å; F266-F326 AromaticContact CD1-CG 3.83Å; F266-F326 HydrophobicContact CD1-CG 3.83Å; F266-F326 AromaticContact CD2-CD1 3.56Å; F266-F326 HydrophobicContact CD2-CD1 3.56Å; F266-F326 AromaticContact CD2-CE1 3.9Å; F266-F326 HydrophobicContact CD2-CE1 3.9Å; F266-F326 HydrophobicContact CE1-CB 4.16Å; F266-F326 AromaticContact CE1-CD1 3.67Å; F266-F326 HydrophobicContact CE1-CD1 3.67Å; F266-F326 HydrophobicContact CE1-CD2 4.38Å; F266-F326 HydrophobicContact CE1-CE1 4.1Å; F266-F326 AromaticContact CE1-CG 3.82Å; F266-F326 HydrophobicContact CE1-CG 3.82Å; F266-F326 AromaticContact CE2-CD1 3.61Å; F266-F326 HydrophobicContact CE2-CD1 3.61Å; F266-F326 AromaticContact CE2-CE1 3.52Å; F266-F326 HydrophobicContact CE2-CE1 3.52Å; F266-F326 HydrophobicContact CE2-CZ 4.4Å; F266-F326 HydrophobicContact CG-CB 4.14Å; F266-F326 AromaticContact CG-CD1 3.57Å; F266-F326 HydrophobicContact CG-CD1 3.57Å; F266-F326 HydrophobicContact CG-CE1 4.34Å; F266-F326 HydrophobicContact CG-CG 4.17Å; F266-F326 AromaticContact CZ-CD1 3.64Å; F266-F326 HydrophobicContact CZ-CD1 3.64Å; F266-F326 AromaticContact CZ-CE1 3.61Å; F266-F326 HydrophobicContact CZ-CE1 3.61Å; F266-F326 HydrophobicContact CZ-CG 4.2Å; F266-F326 HydrophobicContact CZ-CZ 4.14Å
267Y93Very high92Very high19 Ų1938.1 Ų38.18%0.07522%0.22CC..Hα-helixtrans-70.8-32.4179-67.5-80000112.7M215 P216 H217 N265 F269 L270 K271 L281M215-Y267 HydrophobicContact CE-CE1 4.13Å; P216-Y267 VanDerWaalsContact O-CE1 3.29Å; P216-Y267 WeakPolarHBondContact O-CE1 3.25Å; H217-Y267 HydrophobicContact CB-CD1 3.9Å; H217-Y267 HydrophobicContact CB-CE1 4.01Å; H217-Y267 HydrophobicContact CB-CG 4.31Å; H217-Y267 AromaticContact CD2-CD1 3.73Å; H217-Y267 AromaticContact CD2-CD2 3.18Å; H217-Y267 WeakPolarHBondContact CD2-CD2 3.18Å; H217-Y267 AromaticContact CD2-CE2 3.49Å; H217-Y267 VanDerWaalsContact CD2-CE2 3.49Å; H217-Y267 WeakPolarHBondContact CD2-CE2 3.5Å; H217-Y267 AromaticContact CD2-CG 3.29Å; H217-Y267 AromaticContact CD2-CZ 3.88Å; H217-Y267 AromaticContact CG-CD1 3.97Å; H217-Y267 AromaticContact CG-CG 3.87Å; H217-Y267 AromaticContact NE2-CD2 3.66Å; H217-Y267 AromaticContact NE2-CG 3.88Å; N265-Y267 VanDerWaalsContact C-N 3.28Å; N265-Y267 PolarHBondContact O-N 3.46Å; N265-Y267 WeakPolarHBondContact OD1-CB 3.37Å; N265-Y267 PolarHBondContact OD1-N 3.03Å; Y267-F269 VanDerWaalsContact C-N 3.34Å; Y267-L270 PolarHBondContact O-N 3.27Å; Y267-K271 WeakPolarHBondContact O-CB 3.49Å; Y267-K271 PolarHBondContact O-N 3.03Å; Y267-L281 HydrophobicContact CD1-CD2 3.98Å; Y267-L281 HydrophobicContact CG-CD2 4.41Å; Y267-L281 WeakPolarHBondContact O-CD2 3.16Å
268T92.8Very high92Very high95 Ų9541.5 Ų41.558%0.58326%0.255SS*.Hα-helixtrans-65.1-42172-58.80000110.5N265 K271N265-T268 WeakPolarHBondContact O-CA 3.38Å; N265-T268 WeakPolarHBondContact O-CB 3.47Å; N265-T268 PolarHBondContact O-N 2.96Å; N265-T268 PolarHBondContact OD1-N 3.05Å; T268-K271 PolarHBondContact O-N 3.27Å
269F93.6Very high92.2Very high14 Ų1444 Ų446%0.06126%0.264CS..Hα-helixtrans-64.9-40.3174.5174.3-94.7000112.8Y194 F201 T226 N265 F266 Y267 K271 P272 F273 M354Y194-F269 HydrophobicContact CD1-CE2 4.11Å; Y194-F269 AromaticContact CD1-CZ 3.94Å; Y194-F269 HydrophobicContact CD1-CZ 3.94Å; Y194-F269 HydrophobicContact CD2-CZ 4.29Å; Y194-F269 HydrophobicContact CE1-CE2 4.5Å; Y194-F269 HydrophobicContact CG-CE2 4.16Å; Y194-F269 AromaticContact CG-CZ 3.69Å; Y194-F269 HydrophobicContact CG-CZ 3.69Å; F201-F269 HydrophobicContact CE2-CE1 4.05Å; F201-F269 AromaticContact CZ-CE1 3.78Å; F201-F269 HydrophobicContact CZ-CE1 3.78Å; T226-F269 HydrophobicContact CG2-CD1 4.13Å; T226-F269 HydrophobicContact CG2-CD2 3.82Å; T226-F269 HydrophobicContact CG2-CE1 4.11Å; T226-F269 HydrophobicContact CG2-CE2 3.77Å; T226-F269 HydrophobicContact CG2-CG 4.01Å; T226-F269 HydrophobicContact CG2-CZ 3.95Å; N265-F269 PolarHBondContact O-N 2.93Å; F266-F269 WeakPolarHBondContact O-CB 3.25Å; F266-F269 PolarHBondContact O-N 3.1Å; Y267-F269 VanDerWaalsContact C-N 3.34Å; F269-K271 VanDerWaalsContact C-N 3.33Å; F269-K271 PolarHBondContact O-N 2.98Å; F269-P272 WeakPolarHBondContact O-CD 3.13Å; F269-F273 HydrophobicContact CD1-CE2 4.49Å; F269-F273 AromaticContact CE1-CE2 3.94Å; F269-F273 HydrophobicContact CE1-CE2 3.94Å; F269-F273 HydrophobicContact CE2-CE2 4.49Å; F269-F273 AromaticContact CZ-CE2 3.92Å; F269-F273 HydrophobicContact CZ-CE2 3.92Å; F269-F273 HydrophobicContact CZ-CZ 4.47Å; F269-M354 HydrophobicContact CD2-CE 3.81Å; F269-M354 HydrophobicContact CE2-CE 3.36Å; F269-M354 HydrophobicContact CZ-CE 4.16Å
270L94.2Very high92.6Very high0 Ų050.4 Ų50.40%030%0.295CS..Hα-helixtrans-70.3-27178.8-77-173.1000114.1F201 L202 V205 M215 F266 Y267 F273 V274F201-L270 HydrophobicContact CD2-CD2 3.68Å; F201-L270 HydrophobicContact CE2-CD2 3.5Å; F201-L270 VanDerWaalsContact CE2-CD2 3.5Å; L202-L270 HydrophobicContact CD2-CD2 4.11Å; V205-L270 HydrophobicContact CG2-CD1 3.6Å; V205-L270 HydrophobicContact CG2-CD2 3.97Å; V205-L270 HydrophobicContact CG2-CG 4.44Å; M215-L270 HydrophobicContact CE-CD1 4.09Å; F266-L270 HydrophobicContact CD1-CD1 3.84Å; F266-L270 HydrophobicContact CD1-CG 4.3Å; F266-L270 HydrophobicContact CD2-CG 4.26Å; F266-L270 HydrophobicContact CE1-CD1 3.25Å; F266-L270 HydrophobicContact CE1-CG 3.96Å; F266-L270 HydrophobicContact CE2-CD1 4.07Å; F266-L270 HydrophobicContact CE2-CD2 4Å; F266-L270 HydrophobicContact CE2-CG 3.88Å; F266-L270 HydrophobicContact CG-CD1 4.48Å; F266-L270 HydrophobicContact CG-CG 4.47Å; F266-L270 HydrophobicContact CZ-CD1 3.4Å; F266-L270 HydrophobicContact CZ-CD2 3.95Å; F266-L270 HydrophobicContact CZ-CG 3.74Å; F266-L270 WeakPolarHBondContact O-CB 3.26Å; F266-L270 WeakPolarHBondContact O-CG 3.28Å; F266-L270 PolarHBondContact O-N 3.13Å; Y267-L270 PolarHBondContact O-N 3.27Å; L270-F273 WeakPolarHBondContact O-CB 3.43Å; L270-F273 PolarHBondContact O-N 3.44Å; L270-V274 HydrophobicContact CB-CG2 4.49Å; L270-V274 PolarHBondContact O-N 3.03Å; L270-V274 VanDerWaalsContact O-N 3.1Å
271K95Very high93.3Very high102 Ų10248.9 Ų48.944%0.44328%0.281SS..Hα-helixtrans-50.3-50-169.3175.8177.5-179.9-174.70114.6Y267 T268 F269 F273 V274 E275 L281Y267-K271 WeakPolarHBondContact O-CB 3.49Å; Y267-K271 PolarHBondContact O-N 3.03Å; T268-K271 PolarHBondContact O-N 3.27Å; F269-K271 VanDerWaalsContact C-N 3.33Å; F269-K271 PolarHBondContact O-N 2.98Å; K271-F273 VanDerWaalsContact C-N 3.26Å; K271-F273 PolarHBondContact O-N 3.31Å; K271-V274 PolarHBondContact O-N 3.14Å; K271-E275 WeakPolarHBondContact CE-OE1 3.33Å; K271-E275 HydrophobicContact CG-CG 4.35Å; K271-E275 IonicContact NZ-OE1 2.86Å; K271-E275 WeakPolarHBondContact O-CG 2.84Å; K271-E275 PolarHBondContact O-N 3.19Å; K271-L281 VanDerWaalsContact CA-CD1 3.5Å; K271-L281 HydrophobicContact CB-CD1 3.85Å; K271-L281 HydrophobicContact CB-CD2 4.46Å; K271-L281 HydrophobicContact CG-CD1 4.01Å
272P95.6Very high93.9Very high45 Ų4552.5 Ų52.529%0.29229%0.294SS..Hα-helixtrans-58.9-36.5178.6-2435.4000113.2F269 A276 L358F269-P272 WeakPolarHBondContact O-CD 3.13Å; P272-A276 WeakPolarHBondContact O-CB 3.42Å; P272-A276 PolarHBondContact O-N 3.2Å; P272-L358 HydrophobicContact CB-CD1 4.11Å; P272-L358 HydrophobicContact CB-CD2 4.41Å; P272-L358 WeakPolarHBondContact O-CD1 3.46Å
273F95.9Very high94.1Very high1 Ų152.2 Ų52.20%0.00428%0.283CS..Hα-helixtrans-71.5-41180-56.8-68.5000112.3L202 F269 L270 K271 A276 S277 M354 T357 L358 W361L202-F273 HydrophobicContact CD1-CD1 4.31Å; L202-F273 HydrophobicContact CD1-CG 4.5Å; L202-F273 HydrophobicContact CD2-CB 3.77Å; L202-F273 HydrophobicContact CD2-CD1 4.38Å; L202-F273 HydrophobicContact CD2-CD2 3.96Å; L202-F273 HydrophobicContact CD2-CG 3.77Å; F269-F273 HydrophobicContact CD1-CE2 4.49Å; F269-F273 AromaticContact CE1-CE2 3.94Å; F269-F273 HydrophobicContact CE1-CE2 3.94Å; F269-F273 HydrophobicContact CE2-CE2 4.49Å; F269-F273 AromaticContact CZ-CE2 3.92Å; F269-F273 HydrophobicContact CZ-CE2 3.92Å; F269-F273 HydrophobicContact CZ-CZ 4.47Å; L270-F273 WeakPolarHBondContact O-CB 3.43Å; L270-F273 PolarHBondContact O-N 3.44Å; K271-F273 VanDerWaalsContact C-N 3.26Å; K271-F273 PolarHBondContact O-N 3.31Å; F273-A276 PolarHBondContact O-N 3.05Å; F273-S277 PolarHBondContact O-N 2.77Å; F273-S277 VanDerWaalsContact O-N 3.14Å; F273-S277 PolarHBondContact O-OG 2.95Å; F273-S277 VanDerWaalsContact O-OG 3.1Å; F273-M354 HydrophobicContact CE1-SD 4.36Å; F273-M354 HydrophobicContact CE2-CE 4.31Å; F273-M354 HydrophobicContact CE2-SD 4.01Å; F273-M354 HydrophobicContact CZ-CE 4.22Å; F273-M354 HydrophobicContact CZ-SD 3.56Å; F273-M354 VanDerWaalsContact CZ-SD 3.56Å; F273-T357 HydrophobicContact CE1-CG2 3.64Å; F273-T357 HydrophobicContact CZ-CG2 3.95Å; F273-L358 HydrophobicContact CD1-CD1 4.06Å; F273-L358 HydrophobicContact CE1-CD1 4.39Å; F273-W361 HydrophobicContact CD1-CB 4.15Å; F273-W361 AromaticContact CD1-CD1 3.96Å; F273-W361 AromaticContact CD1-CG 4Å; F273-W361 HydrophobicContact CD1-CG 4Å; F273-W361 PolarHBondContact O-NE1 3.1Å
274V96.2Very high94Very high1 Ų152.4 Ų52.41%0.00628%0.282CS..Hα-helixtrans-64.3-45.6176.7175.90000110.9V205 M215 L270 K271 S277 Y279 L281V205-V274 HydrophobicContact CG1-CG2 3.62Å; M215-V274 HydrophobicContact CB-CG1 3.91Å; M215-V274 HydrophobicContact CB-CG2 3.98Å; M215-V274 HydrophobicContact CG-CG2 4.18Å; L270-V274 HydrophobicContact CB-CG2 4.49Å; L270-V274 PolarHBondContact O-N 3.03Å; L270-V274 VanDerWaalsContact O-N 3.1Å; K271-V274 PolarHBondContact O-N 3.14Å; V274-S277 PolarHBondContact O-N 3.01Å; V274-Y279 PolarHBondContact O-N 3Å; V274-Y279 VanDerWaalsContact O-N 3.14Å; V274-L281 HydrophobicContact CB-CD1 3.56Å; V274-L281 HydrophobicContact CG1-CD1 3.73Å; V274-L281 HydrophobicContact CG2-CD1 3.8Å
275E96.1Very high93.7Very high103 Ų10356.8 Ų56.848%0.48131%0.31SS..Hα-helixtrans-65.8-38.9178-70.2177.9166.600111.8K271 S277 G278 Y279K271-E275 WeakPolarHBondContact CE-OE1 3.33Å; K271-E275 HydrophobicContact CG-CG 4.35Å; K271-E275 IonicContact NZ-OE1 2.86Å; K271-E275 WeakPolarHBondContact O-CG 2.84Å; K271-E275 PolarHBondContact O-N 3.19Å; E275-S277 PolarHBondContact O-N 2.91Å; E275-G278 PolarHBondContact O-N 3.5Å; E275-Y279 WeakPolarHBondContact CA-O 3.45Å
276A94.5Very high93.3Very high27 Ų2759.4 Ų59.422%0.22332%0.323CS..Hα-helixtrans-61.5-29173.800000113.6P272 F273 G278 L358 K362P272-A276 WeakPolarHBondContact O-CB 3.42Å; P272-A276 PolarHBondContact O-N 3.2Å; F273-A276 PolarHBondContact O-N 3.05Å; A276-G278 VanDerWaalsContact C-N 3.27Å; A276-G278 PolarHBondContact O-N 2.65Å; A276-L358 HydrophobicContact CB-CD1 3.56Å; A276-K362 HydrophobicContact CB-CD 4.33Å; A276-K362 HydrophobicContact CB-CG 3.63Å
277S94.1Very high93Very high23 Ų2362.7 Ų62.716%0.16135%0.346CS..THydrogen-bonded Turntrans-82.31.3174.9-60.30000114M206 F273 V274 E275 Y279 W361M206-S277 WeakPolarHBondContact SD-CB 3.17Å; M206-S277 PolarHBondContact SD-OG 3.04Å; F273-S277 PolarHBondContact O-N 2.77Å; F273-S277 VanDerWaalsContact O-N 3.14Å; F273-S277 PolarHBondContact O-OG 2.95Å; F273-S277 VanDerWaalsContact O-OG 3.1Å; V274-S277 PolarHBondContact O-N 3.01Å; E275-S277 PolarHBondContact O-N 2.91Å; S277-Y279 WeakPolarHBondContact O-CD2 3.18Å; S277-W361 PolarHBondContact OG-NE1 3.45Å
278G94.6Very high92.6Very high71 Ų7162.8 Ų62.873%0.73235%0.346SS*.THydrogen-bonded Turntrans81.811.7-178.900000114.8E275 A276E275-G278 PolarHBondContact O-N 3.5Å; A276-G278 VanDerWaalsContact C-N 3.27Å; A276-G278 PolarHBondContact O-N 2.65Å
279Y96.1Very high92.4Very high59 Ų5963.7 Ų63.723%0.23135%0.347CS..  trans-105.6174.1176.1-66.2-78.3000111.2M206 C209 G213 V274 E275 S277M206-Y279 HydrophobicContact CE-CE2 4Å; C209-Y279 HydrophobicContact CB-CD1 3.87Å; C209-Y279 HydrophobicContact CB-CD2 3.54Å; C209-Y279 HydrophobicContact CB-CE1 4.06Å; C209-Y279 HydrophobicContact CB-CE2 3.75Å; C209-Y279 HydrophobicContact CB-CG 3.59Å; C209-Y279 WeakPolarHBondContact O-CE1 3.42Å; G213-Y279 WeakPolarHBondContact O-CD1 3.35Å; V274-Y279 PolarHBondContact O-N 3Å; V274-Y279 VanDerWaalsContact O-N 3.14Å; E275-Y279 WeakPolarHBondContact CA-O 3.45Å; S277-Y279 WeakPolarHBondContact O-CD2 3.18Å
280Q95.6Very high92.3Very high148 Ų14866.8 Ų66.869%0.69237%0.368SS*.  trans-124.6151.5174.9-65.9-177.1-1800110.5F214 M215F214-Q280 WeakPolarHBondContact CB-O 3.47Å; M215-Q280 PolarHBondContact N-O 2.78Å
281L94Very high92.1Very high42 Ų4267.7 Ų67.722%0.2237%0.374CS..EExtended strand (participates in β ladder)trans-77.7129.7164.2-80.285.3000108.7M215 Y267 K271 V274M215-L281 HydrophobicContact CB-CG 4.28Å; M215-L281 HydrophobicContact CG-CG 4.48Å; Y267-L281 HydrophobicContact CD1-CD2 3.98Å; Y267-L281 HydrophobicContact CG-CD2 4.41Å; Y267-L281 WeakPolarHBondContact O-CD2 3.16Å; K271-L281 VanDerWaalsContact CA-CD1 3.5Å; K271-L281 HydrophobicContact CB-CD1 3.85Å; K271-L281 HydrophobicContact CB-CD2 4.46Å; K271-L281 HydrophobicContact CG-CD1 4.01Å; V274-L281 HydrophobicContact CB-CD1 3.56Å; V274-L281 HydrophobicContact CG1-CD1 3.73Å; V274-L281 HydrophobicContact CG2-CD1 3.8Å
282K94.3Very high91.8Very high117 Ų11764.3 Ų64.351%0.50936%0.36SS..EExtended strand (participates in β ladder)trans-121.2116175.3-172.6174.3179.6175.40109.4F214 M215 H217 L284F214-K282 HydrophobicContact CB-CB 4.22Å; F214-K282 HydrophobicContact CD1-CD 4.13Å; F214-K282 HydrophobicContact CD2-CB 3.45Å; F214-K282 VanDerWaalsContact CD2-CB 3.45Å; F214-K282 HydrophobicContact CD2-CD 4.1Å; F214-K282 HydrophobicContact CD2-CG 4.32Å; F214-K282 HydrophobicContact CE1-CD 4.1Å; F214-K282 HydrophobicContact CE2-CB 3.93Å; F214-K282 HydrophobicContact CE2-CD 4.05Å; F214-K282 HydrophobicContact CE2-CG 4.39Å; F214-K282 HydrophobicContact CG-CB 3.89Å; F214-K282 HydrophobicContact CG-CD 4.13Å; F214-K282 HydrophobicContact CZ-CD 4.06Å; M215-K282 PolarHBondContact O-N 3.47Å; H217-K282 PolarHBondContact N-O 3.43Å; K282-L284 PolarHBondContact O-N 2.94Å
283E91.7Very high91.6Very high122 Ų12264.7 Ų64.757%0.5737%0.367SS*.EExtended strand (participates in β ladder)trans-65.5125.6171.4-166172.4136.500109.5H217 A219H217-E283 WeakPolarHBondContact O-CA 3.15Å; A219-E283 HydrophobicContact CB-CG 4.16Å
284L89.1Confident91.5Very high40 Ų4069.7 Ų69.721%0.20939%0.394CS..  trans-86.5139.7176-62.9-177.9000109F214 P216 H217 K282 L286F214-L284 HydrophobicContact CE2-CD2 3.97Å; F214-L284 HydrophobicContact CZ-CD2 4.27Å; P216-L284 HydrophobicContact CB-CD1 3.65Å; P216-L284 HydrophobicContact CB-CG 4.15Å; H217-L284 PolarHBondContact O-N 2.95Å; K282-L284 PolarHBondContact O-N 2.94Å; L284-L286 HydrophobicContact CB-CB 4.36Å; L284-L286 HydrophobicContact CB-CD1 4.13Å; L284-L286 HydrophobicContact CB-CG 4.09Å; L284-L286 HydrophobicContact CD1-CD1 3.98Å; L284-L286 PolarHBondContact O-N 2.68Å
285P85.2Confident91.2Very high127 Ų12770.3 Ų70.383%0.82540%0.397SS*.SBendtrans-76.949.6176.835.1-37.4000111.1
286L85.1Confident90.9Very high81 Ų8171.4 Ų71.442%0.42440%0.397SS..  trans-116.4115.9-175.3-67.3179.5000109.3L284 Y288L284-L286 HydrophobicContact CB-CB 4.36Å; L284-L286 HydrophobicContact CB-CD1 4.13Å; L284-L286 HydrophobicContact CB-CG 4.09Å; L284-L286 HydrophobicContact CD1-CD1 3.98Å; L284-L286 PolarHBondContact O-N 2.68Å; L286-Y288 PolarHBondContact O-N 3.22Å
287P86Confident90.9Very high80 Ų8075.3 Ų75.352%0.51941%0.414SS..  trans-67133.6175.428.4-34.5000110.1L289 P290 T291P287-L289 PolarHBondContact O-N 2.95Å; P287-P290 HydrophobicContact CB-CG 4.11Å; P287-P290 HydrophobicContact CG-CB 4.03Å; P287-P290 HydrophobicContact CG-CG 3.62Å; P287-P290 VanDerWaalsContact O-CD 3.31Å; P287-P290 WeakPolarHBondContact O-CD 3.21Å; P287-T291 PolarHBondContact O-N 2.75Å; P287-T291 VanDerWaalsContact O-N 3.15Å; P287-T291 PolarHBondContact O-OG1 2.95Å; P287-T291 VanDerWaalsContact O-OG1 3.12Å
288Y85.9Confident90.7Very high21 Ų2176.1 Ų76.18%0.08242%0.418CS..Hα-helixtrans-52.6-51.7-173.6176-97.2000113.7I218 A220 L286 T291 L292 L323 I324 C327 Y328I218-Y288 HydrophobicContact CG2-CD2 4.2Å; A220-Y288 HydrophobicContact CB-CD2 3.89Å; A220-Y288 HydrophobicContact CB-CE2 4.41Å; A220-Y288 HydrophobicContact CB-CG 4.32Å; L286-Y288 PolarHBondContact O-N 3.22Å; Y288-T291 PolarHBondContact O-N 2.74Å; Y288-L292 HydrophobicContact CE1-CD2 3.95Å; Y288-L292 WeakPolarHBondContact O-CB 3.27Å; Y288-L292 PolarHBondContact O-N 3.22Å; Y288-L323 HydrophobicContact CD2-CD2 4.26Å; Y288-L323 HydrophobicContact CD2-CG 4.46Å; Y288-L323 HydrophobicContact CE2-CD2 3.85Å; Y288-L323 HydrophobicContact CE2-CG 3.78Å; Y288-I324 WeakPolarHBondContact OH-CG1 3.19Å; Y288-C327 HydrophobicContact CD2-CB 4.3Å; Y288-C327 HydrophobicContact CE2-CB 3.81Å; Y288-Y328 AromaticContact CD1-CD2 3.86Å; Y288-Y328 HydrophobicContact CD1-CD2 3.86Å; Y288-Y328 HydrophobicContact CD1-CE2 4.26Å; Y288-Y328 AromaticContact CE1-CD2 3.35Å; Y288-Y328 HydrophobicContact CE1-CD2 3.35Å; Y288-Y328 AromaticContact CE1-CE2 3.94Å; Y288-Y328 HydrophobicContact CE1-CE2 3.94Å; Y288-Y328 AromaticContact CE1-CG 3.78Å; Y288-Y328 HydrophobicContact CE1-CG 3.78Å; Y288-Y328 AromaticContact CZ-CD2 3.81Å; Y288-Y328 AromaticContact CZ-CG 3.86Å; Y288-Y328 VanDerWaalsContact OH-CB 3.24Å; Y288-Y328 WeakPolarHBondContact OH-CB 3.48Å
289L88.6Confident90.3Very high114 Ų11475.4 Ų75.460%0.59740%0.395SS*.Hα-helixtrans-64.6-47.2-174.1-67.3174.4000113P287 T291 L292 A293P287-L289 PolarHBondContact O-N 2.95Å; L289-T291 VanDerWaalsContact C-N 3.33Å; L289-T291 PolarHBondContact O-N 2.75Å; L289-L292 PolarHBondContact O-N 3.39Å; L289-A293 WeakPolarHBondContact O-CB 3.3Å; L289-A293 PolarHBondContact O-N 3.41Å
290P90.8Very high89.9Confident78 Ų7876.3 Ų76.351%0.50640%0.404SS..Hα-helixtrans-60.4-37.8172-29.638.5000114.1P287 A293 L294P287-P290 HydrophobicContact CB-CG 4.11Å; P287-P290 HydrophobicContact CG-CB 4.03Å; P287-P290 HydrophobicContact CG-CG 3.62Å; P287-P290 VanDerWaalsContact O-CD 3.31Å; P287-P290 WeakPolarHBondContact O-CD 3.21Å; P290-A293 PolarHBondContact O-N 2.86Å; P290-L294 WeakPolarHBondContact O-CB 3.38Å; P290-L294 PolarHBondContact O-N 3.22Å
291T89Confident89.6Confident20 Ų2075 Ų7512%0.12340%0.396CS..Hα-helixtrans-63.2-44.8175.3-59.60000111.3I218 P287 Y288 L289 A293 L294 L295 L323I218-T291 HydrophobicContact CD1-CG2 4.04Å; P287-T291 PolarHBondContact O-N 2.75Å; P287-T291 VanDerWaalsContact O-N 3.15Å; P287-T291 PolarHBondContact O-OG1 2.95Å; P287-T291 VanDerWaalsContact O-OG1 3.12Å; Y288-T291 PolarHBondContact O-N 2.74Å; L289-T291 VanDerWaalsContact C-N 3.33Å; L289-T291 PolarHBondContact O-N 2.75Å; T291-A293 PolarHBondContact O-N 3.29Å; T291-L294 PolarHBondContact O-N 3.17Å; T291-L295 HydrophobicContact CG2-CD1 4.37Å; T291-L295 WeakPolarHBondContact O-CG 3.45Å; T291-L295 PolarHBondContact O-N 3.4Å; T291-L323 HydrophobicContact CG2-CD2 4.19Å
292L89.8Confident89.3Confident31 Ų3174 Ų7416%0.16239%0.391CS..Hα-helixtrans-60.3-45.4176.4-17170.5000111.7Y288 L289 L294 L295 Y296 V320 L323 I324Y288-L292 HydrophobicContact CE1-CD2 3.95Å; Y288-L292 WeakPolarHBondContact O-CB 3.27Å; Y288-L292 PolarHBondContact O-N 3.22Å; L289-L292 PolarHBondContact O-N 3.39Å; L292-L294 PolarHBondContact O-N 2.85Å; L292-L295 PolarHBondContact O-N 3.46Å; L292-Y296 WeakPolarHBondContact O-CB 3.23Å; L292-Y296 PolarHBondContact O-N 3.37Å; L292-V320 HydrophobicContact CD1-CB 4.43Å; L292-V320 HydrophobicContact CD1-CG1 3.84Å; L292-L323 HydrophobicContact CB-CD2 4.42Å; L292-L323 HydrophobicContact CD1-CB 4.48Å; L292-L323 HydrophobicContact CD1-CD2 4.04Å; L292-I324 HydrophobicContact CD1-CD1 4.07Å; L292-I324 HydrophobicContact CD1-CG1 3.75Å; L292-I324 HydrophobicContact CD2-CD1 4.43Å; L292-I324 HydrophobicContact CD2-CG1 4.31Å
293A92.2Very high88.8Confident53 Ų5375.3 Ų75.344%0.43840%0.397SS..Hα-helixtrans-61.7-43177.100000111.9L289 P290 T291 Y296 L297L289-A293 WeakPolarHBondContact O-CB 3.3Å; L289-A293 PolarHBondContact O-N 3.41Å; P290-A293 PolarHBondContact O-N 2.86Å; T291-A293 PolarHBondContact O-N 3.29Å; A293-Y296 PolarHBondContact O-N 3.15Å; A293-L297 WeakPolarHBondContact O-CG 3.39Å; A293-L297 PolarHBondContact O-N 3.26Å
294L92.1Very high88.6Confident106 Ų10673.9 Ų73.956%0.55539%0.392SS*.Hα-helixtrans-62.1-46.1176179.963.8000111.7P290 T291 L292 Y296 L297 V298P290-L294 WeakPolarHBondContact O-CB 3.38Å; P290-L294 PolarHBondContact O-N 3.22Å; T291-L294 PolarHBondContact O-N 3.17Å; L292-L294 PolarHBondContact O-N 2.85Å; L294-Y296 VanDerWaalsContact C-N 3.29Å; L294-Y296 PolarHBondContact O-N 3.02Å; L294-L297 PolarHBondContact O-N 2.91Å; L294-V298 HydrophobicContact CD1-CG2 4.48Å; L294-V298 WeakPolarHBondContact O-CG2 3.24Å; L294-V298 PolarHBondContact O-N 3.45Å
295L90.9Very high88.4Confident14 Ų1473.8 Ų73.87%0.07339%0.392CS..Hα-helixtrans-61.2-39.4177.1-69.9175.7000111.7M91 T291 L292 V298 Q299 L317 V320 L323M91-L295 HydrophobicContact CE-CD2 3.88Å; T291-L295 HydrophobicContact CG2-CD1 4.37Å; T291-L295 WeakPolarHBondContact O-CG 3.45Å; T291-L295 PolarHBondContact O-N 3.4Å; L292-L295 PolarHBondContact O-N 3.46Å; L295-V298 PolarHBondContact O-N 3.4Å; L295-Q299 WeakPolarHBondContact O-CB 3.5Å; L295-Q299 PolarHBondContact O-N 2.69Å; L295-L317 HydrophobicContact CD2-CB 4.34Å; L295-V320 HydrophobicContact CB-CG2 3.87Å; L295-L323 HydrophobicContact CD1-CB 4.36Å; L295-L323 HydrophobicContact CD1-CD2 3.88Å
296Y90.7Very high88.4Confident125 Ų12573.7 Ų73.749%0.4938%0.375SS..Hα-helixtrans-63.4-43.7175.3-176-105.9000112L292 A293 L294 Q299 L300 V320L292-Y296 WeakPolarHBondContact O-CB 3.23Å; L292-Y296 PolarHBondContact O-N 3.37Å; A293-Y296 PolarHBondContact O-N 3.15Å; L294-Y296 VanDerWaalsContact C-N 3.29Å; L294-Y296 PolarHBondContact O-N 3.02Å; Y296-Q299 PolarHBondContact O-N 2.88Å; Y296-L300 HydrophobicContact CD1-CD1 3.93Å; Y296-L300 HydrophobicContact CD1-CG 4.39Å; Y296-L300 HydrophobicContact CE1-CD1 3.43Å; Y296-L300 VanDerWaalsContact CE1-CD1 3.43Å; Y296-L300 HydrophobicContact CE1-CG 4.05Å; Y296-L300 WeakPolarHBondContact O-CG 3.28Å; Y296-L300 PolarHBondContact O-N 3.07Å; Y296-V320 HydrophobicContact CD2-CG2 4.34Å
297L92.9Very high88.4Confident110 Ų11076 Ų7658%0.57639%0.387SS*.Hα-helixtrans-62.9-42.9175.3-69.5174.8000112.2A293 L294 Q299 L300 F301A293-L297 WeakPolarHBondContact O-CG 3.39Å; A293-L297 PolarHBondContact O-N 3.26Å; L294-L297 PolarHBondContact O-N 2.91Å; L297-Q299 VanDerWaalsContact C-N 3.34Å; L297-L300 PolarHBondContact O-N 3.36Å; L297-F301 WeakPolarHBondContact O-CB 3.35Å; L297-F301 PolarHBondContact O-N 3.22Å
298V89.8Confident88.5Confident40 Ų4077.3 Ų77.324%0.24239%0.388CS..Hα-helixtrans-60.1-46.1174.2171.50000110.1L294 L295 L300 F301 L302 L317L294-V298 HydrophobicContact CD1-CG2 4.48Å; L294-V298 WeakPolarHBondContact O-CG2 3.24Å; L294-V298 PolarHBondContact O-N 3.45Å; L295-V298 PolarHBondContact O-N 3.4Å; V298-L300 PolarHBondContact O-N 3.02Å; V298-F301 WeakPolarHBondContact O-CB 3.44Å; V298-F301 PolarHBondContact O-N 3.17Å; V298-L302 HydrophobicContact CG1-CD1 4.05Å; V298-L302 HydrophobicContact CG1-CG 4.27Å; V298-L302 VanDerWaalsContact O-CG 3.3Å; V298-L302 WeakPolarHBondContact O-CG 3.35Å; V298-L302 PolarHBondContact O-N 3.02Å; V298-L317 HydrophobicContact CG1-CD1 4.46Å
299Q86.9Confident88.5Confident55 Ų5583.6 Ų83.626%0.25742%0.417SS..Hα-helixtrans-61.4-43.2178.8-172.3-1796.600112.4M91 L295 Y296 L297 F301 L302 K303 N319M91-Q299 HydrophobicContact SD-CB 4.15Å; M91-Q299 HydrophobicContact SD-CG 4.45Å; L295-Q299 WeakPolarHBondContact O-CB 3.5Å; L295-Q299 PolarHBondContact O-N 2.69Å; Y296-Q299 PolarHBondContact O-N 2.88Å; L297-Q299 VanDerWaalsContact C-N 3.34Å; Q299-F301 VanDerWaalsContact C-N 3.33Å; Q299-L302 PolarHBondContact O-N 2.8Å; Q299-K303 WeakPolarHBondContact O-CB 3.39Å; Q299-K303 PolarHBondContact O-N 3.28Å; Q299-N319 PolarHBondContact NE2-ND2 3.3Å
300L88.5Confident88Confident78 Ų7880.8 Ų80.841%0.40842%0.415SS..Hα-helixtrans-61.8-42.3174.6-72.8-179.8000111.7Y296 L297 V298 K303 L304Y296-L300 HydrophobicContact CD1-CD1 3.93Å; Y296-L300 HydrophobicContact CD1-CG 4.39Å; Y296-L300 HydrophobicContact CE1-CD1 3.43Å; Y296-L300 VanDerWaalsContact CE1-CD1 3.43Å; Y296-L300 HydrophobicContact CE1-CG 4.05Å; Y296-L300 WeakPolarHBondContact O-CG 3.28Å; Y296-L300 PolarHBondContact O-N 3.07Å; L297-L300 PolarHBondContact O-N 3.36Å; V298-L300 PolarHBondContact O-N 3.02Å; L300-K303 PolarHBondContact O-N 2.92Å; L300-L304 PolarHBondContact O-N 3.15Å
301F89.7Confident87.1Confident121 Ų12180.1 Ų80.153%0.53141%0.412SS..Hα-helixtrans-63.1-44.9177.2178.1-108.2000112.2L297 V298 Q299 K303 L304 I305L297-F301 WeakPolarHBondContact O-CB 3.35Å; L297-F301 PolarHBondContact O-N 3.22Å; V298-F301 WeakPolarHBondContact O-CB 3.44Å; V298-F301 PolarHBondContact O-N 3.17Å; Q299-F301 VanDerWaalsContact C-N 3.33Å; F301-K303 VanDerWaalsContact C-N 3.34Å; F301-K303 PolarHBondContact O-N 3.23Å; F301-L304 WeakPolarHBondContact O-CB 2.98Å; F301-L304 PolarHBondContact O-N 3.23Å; F301-I305 HydrophobicContact CD1-CD1 3.85Å; F301-I305 HydrophobicContact CE1-CD1 3.29Å; F301-I305 HydrophobicContact CE1-CG1 4.28Å; F301-I305 HydrophobicContact CE2-CD1 4.24Å; F301-I305 HydrophobicContact CE2-CG1 4.47Å; F301-I305 HydrophobicContact CZ-CD1 3.52Å; F301-I305 HydrophobicContact CZ-CG1 4.2Å; F301-I305 PolarHBondContact O-N 2.96Å
302L86.7Confident86.2Confident21 Ų2182.3 Ų82.311%0.1143%0.426CS..Hα-helixtrans-64.2-38.8176-64.2179.2000112.4M91 V298 Q299 L304 I305 W306 F315M91-L302 HydrophobicContact CB-CD1 3.98Å; M91-L302 HydrophobicContact CG-CD1 3.92Å; V298-L302 HydrophobicContact CG1-CD1 4.05Å; V298-L302 HydrophobicContact CG1-CG 4.27Å; V298-L302 VanDerWaalsContact O-CG 3.3Å; V298-L302 WeakPolarHBondContact O-CG 3.35Å; V298-L302 PolarHBondContact O-N 3.02Å; Q299-L302 PolarHBondContact O-N 2.8Å; L302-L304 VanDerWaalsContact C-N 3.3Å; L302-L304 PolarHBondContact O-N 2.86Å; L302-I305 PolarHBondContact O-N 3.11Å; L302-W306 WeakPolarHBondContact O-CB 3.22Å; L302-W306 PolarHBondContact O-N 2.94Å; L302-F315 HydrophobicContact CD1-CB 4.46Å; L302-F315 HydrophobicContact CD1-CD2 3.65Å; L302-F315 HydrophobicContact CD1-CE2 4.38Å; L302-F315 HydrophobicContact CD1-CG 4.4Å; L302-F315 HydrophobicContact CD2-CD2 3.38Å; L302-F315 HydrophobicContact CD2-CE2 3.22Å; L302-F315 HydrophobicContact CD2-CZ 4.34Å; L302-F315 HydrophobicContact CG-CD2 4.14Å; L302-F315 HydrophobicContact CG-CE2 4.4Å
303K84Confident84.8Confident145 Ų14583.2 Ų83.263%0.6343%0.434SS*.Hα-helixtrans-62.6-39174.3-173177.2-179.7179.30111.6Q299 L300 F301 W306 L307Q299-K303 WeakPolarHBondContact O-CB 3.39Å; Q299-K303 PolarHBondContact O-N 3.28Å; L300-K303 PolarHBondContact O-N 2.92Å; F301-K303 VanDerWaalsContact C-N 3.34Å; F301-K303 PolarHBondContact O-N 3.23Å; K303-W306 PolarHBondContact O-N 3.45Å; K303-L307 WeakPolarHBondContact O-CB 3.48Å; K303-L307 PolarHBondContact O-N 2.92Å
304L87.5Confident83.5Confident91 Ų9186.3 Ų86.348%0.47644%0.444SS..Hα-helixtrans-66.6-44.6175.5-17765000111.6L300 F301 L302 W306 L307 I308L300-L304 PolarHBondContact O-N 3.15Å; F301-L304 WeakPolarHBondContact O-CB 2.98Å; F301-L304 PolarHBondContact O-N 3.23Å; L302-L304 VanDerWaalsContact C-N 3.3Å; L302-L304 PolarHBondContact O-N 2.86Å; L304-W306 VanDerWaalsContact C-N 3.32Å; L304-W306 PolarHBondContact O-N 3.14Å; L304-L307 PolarHBondContact O-N 3.5Å; L304-I308 HydrophobicContact CD1-CD1 3.93Å; L304-I308 HydrophobicContact CD1-CG1 4.37Å; L304-I308 HydrophobicContact CG-CD1 3.86Å; L304-I308 WeakPolarHBondContact O-CG1 3.1Å; L304-I308 PolarHBondContact O-N 3.32Å
305I85.5Confident82.3Confident39 Ų3986.2 Ų86.220%0.244%0.439CS..Hα-helixtrans-57.3-47.6174.2-73.5176.3000110.4F301 L302 L307 I308 F309F301-I305 HydrophobicContact CD1-CD1 3.85Å; F301-I305 HydrophobicContact CE1-CD1 3.29Å; F301-I305 HydrophobicContact CE1-CG1 4.28Å; F301-I305 HydrophobicContact CE2-CD1 4.24Å; F301-I305 HydrophobicContact CE2-CG1 4.47Å; F301-I305 HydrophobicContact CZ-CD1 3.52Å; F301-I305 HydrophobicContact CZ-CG1 4.2Å; F301-I305 PolarHBondContact O-N 2.96Å; L302-I305 PolarHBondContact O-N 3.11Å; I305-L307 VanDerWaalsContact C-N 3.32Å; I305-L307 PolarHBondContact O-N 3.19Å; I305-I308 PolarHBondContact O-N 2.83Å; I305-F309 HydrophobicContact CG2-CD2 4.02Å; I305-F309 WeakPolarHBondContact O-CB 3.31Å; I305-F309 WeakPolarHBondContact O-CD2 3.36Å; I305-F309 PolarHBondContact O-N 2.66Å
306W83.4Confident81.4Confident124 Ų12489.6 Ų89.647%0.4746%0.457SS..Hα-helixtrans-61.8-40.8178.4177.576.1000111.9L302 K303 L304 I308 G310L302-W306 WeakPolarHBondContact O-CB 3.22Å; L302-W306 PolarHBondContact O-N 2.94Å; K303-W306 PolarHBondContact O-N 3.45Å; L304-W306 VanDerWaalsContact C-N 3.32Å; L304-W306 PolarHBondContact O-N 3.14Å; W306-I308 VanDerWaalsContact C-N 3.32Å; W306-I308 PolarHBondContact O-N 3.34Å; W306-G310 WeakPolarHBondContact O-CA 3.08Å; W306-G310 PolarHBondContact O-N 3.24Å
307L84.9Confident80.9Confident130 Ų13086.7 Ų86.768%0.68145%0.45SS*.Hα-helixtrans-64.2-35.9177.7-168.873.7000112.6K303 L304 I305K303-L307 WeakPolarHBondContact O-CB 3.48Å; K303-L307 PolarHBondContact O-N 2.92Å; L304-L307 PolarHBondContact O-N 3.5Å; I305-L307 VanDerWaalsContact C-N 3.32Å; I305-L307 PolarHBondContact O-N 3.19Å
308I88.8Confident80.5Confident107 Ų10783.8 Ų83.855%0.54944%0.437SS..Hα-helixtrans-83.1-44.1-177.8-65.2169.7000111.7L304 I305 W306L304-I308 HydrophobicContact CD1-CD1 3.93Å; L304-I308 HydrophobicContact CD1-CG1 4.37Å; L304-I308 HydrophobicContact CG-CD1 3.86Å; L304-I308 WeakPolarHBondContact O-CG1 3.1Å; L304-I308 PolarHBondContact O-N 3.32Å; I305-I308 PolarHBondContact O-N 2.83Å; W306-I308 VanDerWaalsContact C-N 3.32Å; W306-I308 PolarHBondContact O-N 3.34Å
309F86.6Confident80.4Confident154 Ų15481.9 Ų81.968%0.67543%0.426SS*.Hα-helixtrans-108.4-9.6-169.4-62.2-74.1000114.1I305 S311I305-F309 HydrophobicContact CG2-CD2 4.02Å; I305-F309 WeakPolarHBondContact O-CB 3.31Å; I305-F309 WeakPolarHBondContact O-CD2 3.36Å; I305-F309 PolarHBondContact O-N 2.66Å; F309-S311 PolarHBondContact O-N 2.89Å
310G78.4Confident80.5Confident55 Ų5579.9 Ų79.957%0.56742%0.417SS*.  trans66.8-0.1-173.300000114.5W306W306-G310 WeakPolarHBondContact O-CA 3.08Å; W306-G310 PolarHBondContact O-N 3.24Å
311S71.8Confident80.5Confident63 Ų6376.2 Ų76.244%0.44140%0.399SS..  trans-88.3131.4-175.6-177.10000111.1F309F309-S311 PolarHBondContact O-N 2.89Å
312T69.6Low80.6Confident66 Ų6670.9 Ų70.941%0.40538%0.376SS..  trans-90.2115.3170.350.40000108.4Y92Y92-T312 HydrophobicContact CD2-CG2 3.96Å; Y92-T312 HydrophobicContact CE2-CG2 3.62Å
313S61Low80.7Confident50 Ų5070.2 Ų70.235%0.3537%0.373SS..  trans-97.4111.5169.9-64.60000108.7F315S313-F315 PolarHBondContact O-N 3.27Å
314N63.6Low81Confident119 Ų11964 Ų6464%0.63635%0.346SS*.  trans-8492.2176.1-71.7-21.6000109
315F68.4Low81.2Confident103 Ų10360.1 Ų60.145%0.45233%0.325SS..  trans-78.7130.3165.7-72.7-89.4000109L302 S313 L317L302-F315 HydrophobicContact CD1-CB 4.46Å; L302-F315 HydrophobicContact CD1-CD2 3.65Å; L302-F315 HydrophobicContact CD1-CE2 4.38Å; L302-F315 HydrophobicContact CD1-CG 4.4Å; L302-F315 HydrophobicContact CD2-CD2 3.38Å; L302-F315 HydrophobicContact CD2-CE2 3.22Å; L302-F315 HydrophobicContact CD2-CZ 4.34Å; L302-F315 HydrophobicContact CG-CD2 4.14Å; L302-F315 HydrophobicContact CG-CE2 4.4Å; S313-F315 PolarHBondContact O-N 3.27Å; F315-L317 PolarHBondContact O-N 2.94Å
316D70.3Confident81.4Confident86 Ų8659 Ų5946%0.4632%0.319SS..SBendtrans-70.244.1175.2-71.3-16.2000112.8R207 K211R207-D316 IonicContact NH1-OD2 3.41Å; K211-D316 VanDerWaalsContact NZ-CB 3.26Å; K211-D316 IonicContact NZ-OD2 2.87Å; K211-D316 PolarHBondContact NZ-OD2 3.41Å
317L80.8Confident81.6Confident64 Ų6453.2 Ų53.234%0.33530%0.297SS..  trans-110140.1177.4-67.7175.9000109.6M91 L295 V298 F315 N319M91-L317 HydrophobicContact CE-CB 3.67Å; M91-L317 HydrophobicContact CG-CB 4.47Å; L295-L317 HydrophobicContact CD2-CB 4.34Å; V298-L317 HydrophobicContact CG1-CD1 4.46Å; F315-L317 PolarHBondContact O-N 2.94Å; L317-N319 PolarHBondContact O-N 3.41Å
318P85.1Confident81.4Confident48 Ų4852.8 Ų52.831%0.31229%0.287SS..BIsolated β-bridgetrans-64.6135.7173.628.8-34000109.4F89 M91 T322F89-P318 WeakPolarHBondContact O-CA 3.08Å; M91-P318 VanDerWaalsContact CE-C 3.48Å; M91-P318 WeakPolarHBondContact CE-O 3.28Å; P318-T322 HydrophobicContact CB-CG2 3.92Å
319N86.8Confident81.1Confident0 Ų048.1 Ų48.10%026%0.263CS..  trans-61.3157.9172.9-168.5-73.1000111.1F89 G90 M91 R156 Q299 L317 S321 T322 L323F89-N319 PolarHBondContact O-N 3.26Å; G90-N319 WeakPolarHBondContact O-CB 3.49Å; M91-N319 PolarHBondContact O-ND2 3.36Å; R156-N319 PolarHBondContact NH1-ND2 3.37Å; Q299-N319 PolarHBondContact NE2-ND2 3.3Å; L317-N319 PolarHBondContact O-N 3.41Å; N319-S321 PolarHBondContact O-N 3.44Å; N319-S321 PolarHBondContact OD1-N 3.12Å; N319-S321 PolarHBondContact OD1-OG 3.22Å; N319-T322 VanDerWaalsContact O-CB 3.31Å; N319-T322 WeakPolarHBondContact O-CB 3.29Å; N319-T322 PolarHBondContact O-N 2.79Å; N319-L323 PolarHBondContact O-N 3.09Å; N319-L323 VanDerWaalsContact O-N 3.09Å
320V89.1Confident81.4Confident13 Ų1346 Ų468%0.07925%0.252CS..Hα-helixtrans-45.4-48168.1167.40000111.8L292 L295 Y296 T322 L323 I324L292-V320 HydrophobicContact CD1-CB 4.43Å; L292-V320 HydrophobicContact CD1-CG1 3.84Å; L295-V320 HydrophobicContact CB-CG2 3.87Å; Y296-V320 HydrophobicContact CD2-CG2 4.34Å; V320-T322 VanDerWaalsContact C-N 3.34Å; V320-T322 PolarHBondContact O-N 3.14Å; V320-L323 PolarHBondContact O-N 3.04Å; V320-I324 HydrophobicContact CG1-CD1 3.63Å; V320-I324 HydrophobicContact CG1-CG1 4.48Å; V320-I324 VanDerWaalsContact O-CG1 3.31Å; V320-I324 WeakPolarHBondContact O-CG1 3.35Å; V320-I324 PolarHBondContact O-N 2.75Å
321S89.7Confident82Confident2 Ų243.4 Ų43.41%0.01423%0.225CC..Hα-helixtrans-63.5-37.6180-48.80000113Y133 L154 R156 N319 I324 Y325Y133-S321 PolarHBondContact OH-OG 2.78Å; L154-S321 WeakPolarHBondContact O-CB 3.18Å; R156-S321 VanDerWaalsContact CG-OG 3.26Å; R156-S321 WeakPolarHBondContact CG-OG 3.18Å; N319-S321 PolarHBondContact O-N 3.44Å; N319-S321 PolarHBondContact OD1-N 3.12Å; N319-S321 PolarHBondContact OD1-OG 3.22Å; S321-I324 PolarHBondContact O-N 3.04Å; S321-Y325 VanDerWaalsContact O-CB 3.23Å; S321-Y325 WeakPolarHBondContact O-CB 3.49Å; S321-Y325 PolarHBondContact O-N 2.92Å
322T90.1Very high83.1Confident9 Ų944.1 Ų44.16%0.05522%0.218CC..Hα-helixtrans-62.8-45.9175.9-56.90000110.9F89 P318 N319 V320 Y325 F326F89-T322 WeakPolarHBondContact CA-OG1 3.27Å; F89-T322 HydrophobicContact CB-CG2 4.09Å; F89-T322 HydrophobicContact CD1-CG2 3.82Å; F89-T322 HydrophobicContact CG-CG2 4.42Å; F89-T322 PolarHBondContact O-OG1 3.45Å; P318-T322 HydrophobicContact CB-CG2 3.92Å; N319-T322 VanDerWaalsContact O-CB 3.31Å; N319-T322 WeakPolarHBondContact O-CB 3.29Å; N319-T322 PolarHBondContact O-N 2.79Å; V320-T322 VanDerWaalsContact C-N 3.34Å; V320-T322 PolarHBondContact O-N 3.14Å; T322-Y325 PolarHBondContact O-N 2.86Å; T322-F326 HydrophobicContact CG2-CD2 3.9Å; T322-F326 HydrophobicContact CG2-CE2 4.01Å; T322-F326 VanDerWaalsContact O-CD2 3.31Å; T322-F326 WeakPolarHBondContact O-CD2 3.25Å; T322-F326 PolarHBondContact O-N 3.38Å
323L89.7Confident84.2Confident7 Ų741.3 Ų41.34%0.03720%0.201CC..Hα-helixtrans-65.7-41.6178.7-169.870.4000111I218 Y288 T291 L292 L295 N319 V320 C327I218-L323 HydrophobicContact CB-CD1 4.47Å; I218-L323 HydrophobicContact CD1-CD1 3.57Å; Y288-L323 HydrophobicContact CD2-CD2 4.26Å; Y288-L323 HydrophobicContact CD2-CG 4.46Å; Y288-L323 HydrophobicContact CE2-CD2 3.85Å; Y288-L323 HydrophobicContact CE2-CG 3.78Å; T291-L323 HydrophobicContact CG2-CD2 4.19Å; L292-L323 HydrophobicContact CB-CD2 4.42Å; L292-L323 HydrophobicContact CD1-CB 4.48Å; L292-L323 HydrophobicContact CD1-CD2 4.04Å; L295-L323 HydrophobicContact CD1-CB 4.36Å; L295-L323 HydrophobicContact CD1-CD2 3.88Å; N319-L323 PolarHBondContact O-N 3.09Å; N319-L323 VanDerWaalsContact O-N 3.09Å; V320-L323 PolarHBondContact O-N 3.04Å; L323-C327 HydrophobicContact CD1-CB 4.41Å; L323-C327 VanDerWaalsContact CD1-SG 3.57Å; L323-C327 WeakPolarHBondContact O-CB 3.5Å; L323-C327 PolarHBondContact O-N 3.38Å; L323-C327 PolarHBondContact O-SG 2.78Å; L323-C327 VanDerWaalsContact O-SG 3.4Å
324I89.7Confident85.7Confident15 Ų1541.9 Ų41.98%0.07720%0.2CC..Hα-helixtrans-62.8-48.1176.6-68.9166.9000111.2Y133 L154 Y288 L292 V320 S321 F326 Y328 H329Y133-I324 HydrophobicContact CD1-CB 4.44Å; Y133-I324 HydrophobicContact CD1-CD1 3.66Å; Y133-I324 HydrophobicContact CD1-CG2 3.94Å; Y133-I324 HydrophobicContact CE1-CD1 3.74Å; L154-I324 HydrophobicContact CD1-CG2 3.85Å; Y288-I324 WeakPolarHBondContact OH-CG1 3.19Å; L292-I324 HydrophobicContact CD1-CD1 4.07Å; L292-I324 HydrophobicContact CD1-CG1 3.75Å; L292-I324 HydrophobicContact CD2-CD1 4.43Å; L292-I324 HydrophobicContact CD2-CG1 4.31Å; V320-I324 HydrophobicContact CG1-CD1 3.63Å; V320-I324 HydrophobicContact CG1-CG1 4.48Å; V320-I324 VanDerWaalsContact O-CG1 3.31Å; V320-I324 WeakPolarHBondContact O-CG1 3.35Å; V320-I324 PolarHBondContact O-N 2.75Å; S321-I324 PolarHBondContact O-N 3.04Å; I324-F326 PolarHBondContact O-N 3.47Å; I324-Y328 PolarHBondContact O-N 2.84Å; I324-Y328 VanDerWaalsContact O-N 3.17Å; I324-H329 WeakPolarHBondContact CG2-CD2 3.42Å; I324-H329 WeakPolarHBondContact CG2-NE2 3.43Å
325Y91.4Very high87.1Confident9 Ų936.3 Ų36.34%0.03517%0.171CC..Hα-helixtrans-56.2-46.7-179.1176.8-134.7000112.6F128 L154 L155 S321 T322 L331F128-Y325 AromaticContact CD2-CE2 3.65Å; F128-Y325 HydrophobicContact CD2-CE2 3.65Å; F128-Y325 HydrophobicContact CE2-CE2 4.11Å; F128-Y325 HydrophobicContact CG-CE2 4.41Å; L154-Y325 HydrophobicContact CD2-CD2 4.08Å; L154-Y325 HydrophobicContact CG-CD2 4.42Å; L155-Y325 HydrophobicContact CD2-CD1 3.98Å; L155-Y325 HydrophobicContact CD2-CD2 3.91Å; L155-Y325 HydrophobicContact CD2-CE1 4.04Å; L155-Y325 HydrophobicContact CD2-CE2 4.01Å; L155-Y325 HydrophobicContact CD2-CG 3.92Å; S321-Y325 VanDerWaalsContact O-CB 3.23Å; S321-Y325 WeakPolarHBondContact O-CB 3.49Å; S321-Y325 PolarHBondContact O-N 2.92Å; T322-Y325 PolarHBondContact O-N 2.86Å; Y325-L331 HydrophobicContact CD2-CD1 3.33Å; Y325-L331 HydrophobicContact CE2-CD1 3.56Å; Y325-L331 WeakPolarHBondContact O-CD1 3.29Å
326F91Very high88.4Confident15 Ų1534.6 Ų34.67%0.06617%0.169CC..Hα-helixtrans-90.4-21.3-174.8-70.4-60.9000115.4F89 L192 L224 F266 T322 I324F89-F326 AromaticContact CD1-CE2 3.83Å; F89-F326 HydrophobicContact CD1-CE2 3.83Å; F89-F326 HydrophobicContact CD1-CZ 4.45Å; F89-F326 AromaticContact CE1-CE2 3.49Å; F89-F326 HydrophobicContact CE1-CE2 3.49Å; F89-F326 VanDerWaalsContact CE1-CE2 3.49Å; F89-F326 AromaticContact CE1-CZ 3.67Å; F89-F326 HydrophobicContact CE1-CZ 3.67Å; F89-F326 HydrophobicContact CZ-CZ 4.47Å; L192-F326 HydrophobicContact CD2-CE1 4.11Å; L224-F326 HydrophobicContact CD2-CD1 4.1Å; F266-F326 HydrophobicContact CB-CB 4.42Å; F266-F326 HydrophobicContact CB-CD1 4.33Å; F266-F326 WeakPolarHBondContact CB-O 3.48Å; F266-F326 HydrophobicContact CD1-CB 3.73Å; F266-F326 AromaticContact CD1-CD1 3.65Å; F266-F326 HydrophobicContact CD1-CD1 3.65Å; F266-F326 HydrophobicContact CD1-CE1 4.46Å; F266-F326 AromaticContact CD1-CG 3.83Å; F266-F326 HydrophobicContact CD1-CG 3.83Å; F266-F326 AromaticContact CD2-CD1 3.56Å; F266-F326 HydrophobicContact CD2-CD1 3.56Å; F266-F326 AromaticContact CD2-CE1 3.9Å; F266-F326 HydrophobicContact CD2-CE1 3.9Å; F266-F326 HydrophobicContact CE1-CB 4.16Å; F266-F326 AromaticContact CE1-CD1 3.67Å; F266-F326 HydrophobicContact CE1-CD1 3.67Å; F266-F326 HydrophobicContact CE1-CD2 4.38Å; F266-F326 HydrophobicContact CE1-CE1 4.1Å; F266-F326 AromaticContact CE1-CG 3.82Å; F266-F326 HydrophobicContact CE1-CG 3.82Å; F266-F326 AromaticContact CE2-CD1 3.61Å; F266-F326 HydrophobicContact CE2-CD1 3.61Å; F266-F326 AromaticContact CE2-CE1 3.52Å; F266-F326 HydrophobicContact CE2-CE1 3.52Å; F266-F326 HydrophobicContact CE2-CZ 4.4Å; F266-F326 HydrophobicContact CG-CB 4.14Å; F266-F326 AromaticContact CG-CD1 3.57Å; F266-F326 HydrophobicContact CG-CD1 3.57Å; F266-F326 HydrophobicContact CG-CE1 4.34Å; F266-F326 HydrophobicContact CG-CG 4.17Å; F266-F326 AromaticContact CZ-CD1 3.64Å; F266-F326 HydrophobicContact CZ-CD1 3.64Å; F266-F326 AromaticContact CZ-CE1 3.61Å; F266-F326 HydrophobicContact CZ-CE1 3.61Å; F266-F326 HydrophobicContact CZ-CG 4.2Å; F266-F326 HydrophobicContact CZ-CZ 4.14Å; T322-F326 HydrophobicContact CG2-CD2 3.9Å; T322-F326 HydrophobicContact CG2-CE2 4.01Å; T322-F326 VanDerWaalsContact O-CD2 3.31Å; T322-F326 WeakPolarHBondContact O-CD2 3.25Å; T322-F326 PolarHBondContact O-N 3.38Å; I324-F326 PolarHBondContact O-N 3.47Å
327C86.1Confident89.6Confident2 Ų233 Ų331%0.01416%0.158CC..Hα-helixtrans-115.5-29.9-167.2-55.60000114.3A220 G222 Y288 L323A220-C327 CarbonylContact C-O 3.56Å; A220-C327 HydrophobicContact CB-CB 3.77Å; A220-C327 WeakPolarHBondContact CB-O 3.46Å; G222-C327 VanDerWaalsContact CA-O 3.27Å; G222-C327 WeakPolarHBondContact CA-O 3.47Å; G222-C327 PolarHBondContact N-O 3.18Å; Y288-C327 HydrophobicContact CD2-CB 4.3Å; Y288-C327 HydrophobicContact CE2-CB 3.81Å; L323-C327 HydrophobicContact CD1-CB 4.41Å; L323-C327 VanDerWaalsContact CD1-SG 3.57Å; L323-C327 WeakPolarHBondContact O-CB 3.5Å; L323-C327 PolarHBondContact O-N 3.38Å; L323-C327 PolarHBondContact O-SG 2.78Å; L323-C327 VanDerWaalsContact O-SG 3.4Å
328Y82.3Confident90.3Very high121 Ų12130 Ų3048%0.47514%0.142SC..THydrogen-bonded Turntrans-112.8-36.3-162.9-169.4-107.8000114.9Y288 I324Y288-Y328 AromaticContact CD1-CD2 3.86Å; Y288-Y328 HydrophobicContact CD1-CD2 3.86Å; Y288-Y328 HydrophobicContact CD1-CE2 4.26Å; Y288-Y328 AromaticContact CE1-CD2 3.35Å; Y288-Y328 HydrophobicContact CE1-CD2 3.35Å; Y288-Y328 AromaticContact CE1-CE2 3.94Å; Y288-Y328 HydrophobicContact CE1-CE2 3.94Å; Y288-Y328 AromaticContact CE1-CG 3.78Å; Y288-Y328 HydrophobicContact CE1-CG 3.78Å; Y288-Y328 AromaticContact CZ-CD2 3.81Å; Y288-Y328 AromaticContact CZ-CG 3.86Å; Y288-Y328 VanDerWaalsContact OH-CB 3.24Å; Y288-Y328 WeakPolarHBondContact OH-CB 3.48Å; I324-Y328 PolarHBondContact O-N 2.84Å; I324-Y328 VanDerWaalsContact O-N 3.17Å
329H82.5Confident90.8Very high9 Ų931.4 Ų31.44%0.04214%0.141CC..  trans-85.7155.6-172.9-78.7-53000114.4Y133 D135 G222 V223 I324 L331Y133-H329 VanDerWaalsContact C-NE2 3.29Å; Y133-H329 PolarHBondContact O-CE1 2.9Å; Y133-H329 PolarHBondContact O-NE2 3.39Å; D135-H329 WeakPolarHBondContact OD1-CA 3.47Å; D135-H329 IonicContact OD1-CE1 3.57Å; D135-H329 IonicContact OD1-CG 2.74Å; D135-H329 IonicContact OD1-ND1 3.75Å; D135-H329 PolarHBondContact OD1-ND1 3.36Å; G222-H329 CarbonylContact C-O 3.52Å; G222-H329 VanDerWaalsContact CA-O 3.24Å; G222-H329 WeakPolarHBondContact CA-O 3.46Å; V223-H329 PolarHBondContact N-O 2.84Å; I324-H329 WeakPolarHBondContact CG2-CD2 3.42Å; I324-H329 WeakPolarHBondContact CG2-NE2 3.43Å; H329-L331 HydrophobicContact CB-CD1 4.08Å; H329-L331 HydrophobicContact CB-CD2 3.73Å; H329-L331 HydrophobicContact CB-CG 3.6Å
330Y91.2Very high91.2Very high111 Ų11138.4 Ų38.444%0.43518%0.177SC..EExtended strand (participates in β ladder)trans-87.2106160.2-60.3-89.4000108D135 C136 V223D135-Y330 PolarHBondContact OD1-N 3.1Å; C136-Y330 CarbonylContact C-O 3.5Å; C136-Y330 WeakPolarHBondContact CA-O 3.3Å; C136-Y330 PolarHBondContact N-O 2.74Å; V223-Y330 HydrophobicContact CG2-CD1 3.52Å; V223-Y330 HydrophobicContact CG2-CE1 4.19Å; V223-Y330 HydrophobicContact CG2-CG 4.35Å; V223-Y330 CarbonylContact O-C 3.45Å; V223-Y330 WeakPolarHBondContact O-CA 3.31Å
331L92.6Very high91.6Very high0 Ų039.8 Ų39.80%018%0.184CC..EExtended strand (participates in β ladder)trans-121.979.2-173.9-62.5179.2000111.4F128 L131 C136 L154 V223 L224 D225 Y325 H329F128-L331 HydrophobicContact CD1-CB 4.36Å; F128-L331 HydrophobicContact CD1-CD2 4.39Å; F128-L331 HydrophobicContact CE1-CB 3.78Å; F128-L331 HydrophobicContact CE2-CB 4.34Å; F128-L331 HydrophobicContact CZ-CB 3.76Å; F128-L331 WeakPolarHBondContact CZ-O 3.26Å; L131-L331 HydrophobicContact CD1-CD2 3.94Å; C136-L331 HydrophobicContact CB-CD2 4.04Å; L154-L331 HydrophobicContact CD2-CD1 4.01Å; L154-L331 HydrophobicContact CD2-CD2 4Å; V223-L331 PolarHBondContact O-N 3.02Å; L224-L331 CarbonylContact C-O 3.52Å; L224-L331 VanDerWaalsContact CA-O 3.23Å; L224-L331 WeakPolarHBondContact CA-O 3.29Å; L224-L331 HydrophobicContact CB-CB 3.97Å; D225-L331 PolarHBondContact N-O 3.01Å; Y325-L331 HydrophobicContact CD2-CD1 3.33Å; Y325-L331 HydrophobicContact CE2-CD1 3.56Å; Y325-L331 WeakPolarHBondContact O-CD1 3.29Å; H329-L331 HydrophobicContact CB-CD1 4.08Å; H329-L331 HydrophobicContact CB-CD2 3.73Å; H329-L331 HydrophobicContact CB-CG 3.6Å
332Y93.2Very high91.9Very high78 Ų7840.1 Ų40.131%0.30619%0.186SC..EExtended strand (participates in β ladder)trans-138.2143.5176.558.9-91.2000110.7C136 A137 G138 V223 D225 P263C136-Y332 CarbonylContact O-C 3.58Å; C136-Y332 PolarHBondContact O-N 3.29Å; A137-Y332 VanDerWaalsContact C-CE2 3.44Å; A137-Y332 VanDerWaalsContact CA-CZ 3.49Å; A137-Y332 HydrophobicContact CB-CE1 4.07Å; A137-Y332 HydrophobicContact CB-CE2 4.34Å; A137-Y332 WeakPolarHBondContact CB-OH 3.34Å; G138-Y332 WeakPolarHBondContact CA-O 3.43Å; G138-Y332 PolarHBondContact N-O 3.31Å; V223-Y332 HydrophobicContact CG2-CD1 4.46Å; D225-Y332 WeakPolarHBondContact OD1-CB 3.42Å; D225-Y332 WeakPolarHBondContact OD2-CA 3.46Å; D225-Y332 WeakPolarHBondContact OD2-CB 3.31Å; P263-Y332 HydrophobicContact CB-CD1 4.11Å; P263-Y332 HydrophobicContact CB-CG 4.32Å; P263-Y332 HydrophobicContact CG-CD1 3.71Å; P263-Y332 HydrophobicContact CG-CD2 4.21Å; P263-Y332 HydrophobicContact CG-CE1 4.45Å; P263-Y332 HydrophobicContact CG-CG 3.57Å
333V93.3Very high92.2Very high6 Ų645.8 Ų45.84%0.03622%0.216CC..EExtended strand (participates in β ladder)trans-117.2157.7-168.5-68.90000112.5A127 F128 T191 D225 N256 N258A127-V333 HydrophobicContact CB-CG1 4.06Å; A127-V333 HydrophobicContact CB-CG2 4.39Å; F128-V333 HydrophobicContact CE1-CG1 4.06Å; T191-V333 HydrophobicContact CG2-CG2 3.61Å; D225-V333 PolarHBondContact OD2-N 3.48Å; D225-V333 VanDerWaalsContact OD2-N 3.1Å; N256-V333 HydrophobicContact CB-CB 4.23Å; N256-V333 HydrophobicContact CB-CG2 3.89Å; N258-V333 HydrophobicContact CB-CG2 4.24Å; N258-V333 PolarHBondContact ND2-O 2.83Å
334N93Very high92.5Very high62 Ų6245.5 Ų45.533%0.33221%0.214SC..  trans-88.6126.3169.9-173.1-43.5000109.6G138 L139 N256 T336G138-N334 WeakPolarHBondContact O-CB 3.48Å; L139-N334 PolarHBondContact O-N 2.99Å; N256-N334 WeakPolarHBondContact CB-O 3.38Å; N256-N334 PolarHBondContact ND2-O 3.13Å; N256-N334 VanDerWaalsContact ND2-O 3.1Å; N334-T336 WeakPolarHBondContact OD1-CA 3.5Å; N334-T336 WeakPolarHBondContact OD1-CB 3.4Å; N334-T336 PolarHBondContact OD1-N 3.25Å; N334-T336 PolarHBondContact OD1-OG1 3.42Å
335S93.5Very high92.7Very high3 Ų351.4 Ų51.42%0.02124%0.239CC..  trans-107.315.5176.962.20000114N256 N258 K337 A338 R339N256-S335 WeakPolarHBondContact O-CB 3.41Å; N258-S335 WeakPolarHBondContact OD1-CB 3.35Å; N258-S335 PolarHBondContact OD1-OG 3.15Å; S335-K337 PolarHBondContact O-N 2.65Å; S335-K337 VanDerWaalsContact O-N 3.16Å; S335-A338 WeakPolarHBondContact O-CB 3.49Å; S335-A338 PolarHBondContact O-N 2.97Å; S335-R339 PolarHBondContact O-N 3.46Å; S335-R339 VanDerWaalsContact O-N 3.13Å
336T94.6Very high92.9Very high67 Ų6752.2 Ų52.241%0.41125%0.245SC..Hα-helixtrans-54.8-36.6-179.5-59.20000111.4N334 R339 L340N334-T336 WeakPolarHBondContact OD1-CA 3.5Å; N334-T336 WeakPolarHBondContact OD1-CB 3.4Å; N334-T336 PolarHBondContact OD1-N 3.25Å; N334-T336 PolarHBondContact OD1-OG1 3.42Å; T336-R339 WeakPolarHBondContact O-CB 3.44Å; T336-R339 PolarHBondContact O-N 2.91Å; T336-L340 HydrophobicContact CG2-CD1 3.83Å; T336-L340 HydrophobicContact CG2-CG 4.19Å; T336-L340 WeakPolarHBondContact O-CG 3.36Å; T336-L340 PolarHBondContact O-N 3.44Å
337K95.4Very high93.1Very high53 Ų5354.7 Ų54.723%0.2326%0.256CS..Hα-helixtrans-62.6-44.2176.8-170-179.1175.5-174.80112.2E253 V254 V255 S335 R339 L340 L341E253-K337 WeakPolarHBondContact OE2-CE 3.44Å; E253-K337 IonicContact OE2-NZ 2.65Å; E253-K337 PolarHBondContact OE2-NZ 2.98Å; V254-K337 WeakPolarHBondContact O-CD 3.34Å; V254-K337 VanDerWaalsContact O-CE 3.32Å; V254-K337 WeakPolarHBondContact O-CE 3.41Å; V254-K337 PolarHBondContact O-NZ 3.32Å; V255-K337 HydrophobicContact CG1-CD 4.1Å; V255-K337 HydrophobicContact CG1-CG 4.06Å; S335-K337 PolarHBondContact O-N 2.65Å; S335-K337 VanDerWaalsContact O-N 3.16Å; K337-R339 VanDerWaalsContact C-N 3.28Å; K337-R339 PolarHBondContact O-N 2.84Å; K337-L340 PolarHBondContact O-N 3.15Å; K337-L341 VanDerWaalsContact O-CB 3.22Å; K337-L341 WeakPolarHBondContact O-CB 3.37Å; K337-L341 PolarHBondContact O-N 2.94Å
338A96.4Very high93.6Very high0 Ų056.3 Ų56.30%026%0.262CS..Hα-helixtrans-60.8-39174.400000111.7M235 V255 S335 L342 Y344M235-A338 HydrophobicContact CE-CB 3.56Å; M235-A338 HydrophobicContact SD-CB 4.17Å; V255-A338 HydrophobicContact CB-CB 4.12Å; S335-A338 WeakPolarHBondContact O-CB 3.49Å; S335-A338 PolarHBondContact O-N 2.97Å; A338-L342 WeakPolarHBondContact O-CA 3.46Å; A338-L342 VanDerWaalsContact O-CB 3.31Å; A338-L342 WeakPolarHBondContact O-CB 3.33Å; A338-L342 PolarHBondContact O-N 3.4Å; A338-Y344 HydrophobicContact CB-CD1 4.4Å; A338-Y344 WeakPolarHBondContact O-CB 3.32Å; A338-Y344 PolarHBondContact O-N 3.04Å
339R94.9Very high94.1Very high78 Ų7855.5 Ų55.529%0.29426%0.263SS..Hα-helixtrans-64.3-40.6176.9-62.7179.6175.6-80.5-0.1112.4C260 S335 T336 K337 N343 Y344C260-R339 PolarHBondContact SG-NH2 3.3Å; S335-R339 PolarHBondContact O-N 3.46Å; S335-R339 VanDerWaalsContact O-N 3.13Å; T336-R339 WeakPolarHBondContact O-CB 3.44Å; T336-R339 PolarHBondContact O-N 2.91Å; K337-R339 VanDerWaalsContact C-N 3.28Å; K337-R339 PolarHBondContact O-N 2.84Å; R339-N343 VanDerWaalsContact O-CA 3.26Å; R339-N343 WeakPolarHBondContact O-CA 3.46Å; R339-N343 PolarHBondContact O-N 3.03Å; R339-Y344 WeakPolarHBondContact CG-O 3.44Å
340L96.1Very high94.5Very high146 Ų14656.4 Ų56.476%0.76427%0.269SS*.Hα-helixtrans-80.2-42.7-178.5-66.8174.9000112.8T336 K337T336-L340 HydrophobicContact CG2-CD1 3.83Å; T336-L340 HydrophobicContact CG2-CG 4.19Å; T336-L340 WeakPolarHBondContact O-CG 3.36Å; T336-L340 PolarHBondContact O-N 3.44Å; K337-L340 PolarHBondContact O-N 3.15Å
341L96.4Very high94.5Very high42 Ų4257.3 Ų57.322%0.2228%0.277CS..Hα-helixtrans-81.6-43.2-175.5-177.865.2000112.4M242 E253 V255 K337M242-L341 HydrophobicContact CE-CD1 4.3Å; E253-L341 HydrophobicContact CB-CD2 3.83Å; E253-L341 HydrophobicContact CG-CD2 3.93Å; V255-L341 HydrophobicContact CG1-CD2 4.09Å; K337-L341 VanDerWaalsContact O-CB 3.22Å; K337-L341 WeakPolarHBondContact O-CB 3.37Å; K337-L341 PolarHBondContact O-N 2.94Å
342L97.1Very high94.6Very high10 Ų1062.2 Ų62.25%0.05230%0.304CS..SBendtrans-105.71.7-172.6-53.9-176.5000113.2I186 M235 L238 A239 M242 V255 A338 Y344I186-L342 HydrophobicContact CD1-CD2 4.3Å; M235-L342 HydrophobicContact CG-CD1 3.9Å; M235-L342 HydrophobicContact SD-CD1 4.42Å; L238-L342 HydrophobicContact CB-CB 4.28Å; A239-L342 HydrophobicContact CB-CD1 3.89Å; A239-L342 HydrophobicContact CB-CD2 4.31Å; M242-L342 HydrophobicContact CB-CD2 3.72Å; M242-L342 HydrophobicContact CG-CD2 3.93Å; V255-L342 HydrophobicContact CG2-CD1 3.98Å; A338-L342 WeakPolarHBondContact O-CA 3.46Å; A338-L342 VanDerWaalsContact O-CB 3.31Å; A338-L342 WeakPolarHBondContact O-CB 3.33Å; A338-L342 PolarHBondContact O-N 3.4Å; L342-Y344 PolarHBondContact O-N 3.49Å; L342-Y344 VanDerWaalsContact O-N 3.17Å
343N95.9Very high94.7Very high127 Ų12758.6 Ų58.668%0.67929%0.29SS*.  trans51.832.9-167.9-166.728.6000112.6R339 K345R339-N343 VanDerWaalsContact O-CA 3.26Å; R339-N343 WeakPolarHBondContact O-CA 3.46Å; R339-N343 PolarHBondContact O-N 3.03Å; N343-K345 PolarHBondContact O-N 2.94Å
344Y96.3Very high94.7Very high1 Ų160.5 Ų60.50%0.00430%0.299CS..  trans-68.4129.4-172.5175.2-106.3000112.4Y234 M235 L238 N258 A338 R339 L342 P346Y234-Y344 HydrophobicContact CD1-CD2 4.49Å; Y234-Y344 HydrophobicContact CD1-CE2 4.25Å; M235-Y344 HydrophobicContact CB-CD2 3.88Å; M235-Y344 HydrophobicContact CB-CE2 3.71Å; M235-Y344 HydrophobicContact CE-CD1 3.21Å; M235-Y344 HydrophobicContact CE-CD2 3.5Å; M235-Y344 VanDerWaalsContact CE-CD2 3.5Å; M235-Y344 HydrophobicContact CE-CE1 3.3Å; M235-Y344 HydrophobicContact CE-CE2 3.58Å; M235-Y344 HydrophobicContact CE-CG 3.29Å; M235-Y344 VanDerWaalsContact CE-CZ 3.47Å; M235-Y344 HydrophobicContact CG-CD2 4Å; M235-Y344 HydrophobicContact CG-CE2 4.25Å; M235-Y344 HydrophobicContact CG-CG 4.48Å; L238-Y344 HydrophobicContact CD1-CD2 3.95Å; N258-Y344 WeakPolarHBondContact O-CE1 3.18Å; A338-Y344 HydrophobicContact CB-CD1 4.4Å; A338-Y344 WeakPolarHBondContact O-CB 3.32Å; A338-Y344 PolarHBondContact O-N 3.04Å; R339-Y344 WeakPolarHBondContact CG-O 3.44Å; L342-Y344 PolarHBondContact O-N 3.49Å; L342-Y344 VanDerWaalsContact O-N 3.17Å; Y344-P346 HydrophobicContact CE1-CG 4.15Å
345K94.6Very high94.8Very high140 Ų14063.1 Ų63.161%0.60931%0.309SS*.  trans-136.2137.5161.6-64.9-179.8-177.1176.50107.4Y234 N343 K347Y234-K345 WeakPolarHBondContact CE1-O 3.5Å; N343-K345 PolarHBondContact O-N 2.94Å; K345-K347 PolarHBondContact O-N 3.34Å
346P94.7Very high94.9Very high25 Ų2566.8 Ų66.816%0.16232%0.322CS..  trans-51.6126.6175.5-27.435.6000111.2E259 Y344E259-P346 HydrophobicContact CB-CG 4.26Å; Y344-P346 HydrophobicContact CE1-CG 4.15Å
347K95.4Very high95Very high68 Ų6863.6 Ų63.630%0.29630%0.303SS..SBendtrans-71.5-42177.2176.4-176.1174-161.30110.3E24 E27 L28 N231 Y234 K345E24-K347 IonicContact OE1-NZ 2.68Å; E24-K347 WeakPolarHBondContact OE2-CD 3.31Å; E24-K347 IonicContact OE2-NZ 3Å; E24-K347 PolarHBondContact OE2-NZ 2.94Å; E27-K347 IonicContact OE2-NZ 3.71Å; E27-K347 PolarHBondContact OE2-NZ 2.97Å; L28-K347 HydrophobicContact CD1-CD 4.4Å; N231-K347 PolarHBondContact OD1-N 3.49Å; Y234-K347 HydrophobicContact CD1-CB 3.7Å; Y234-K347 HydrophobicContact CD2-CB 4.4Å; Y234-K347 HydrophobicContact CD2-CD 4.09Å; Y234-K347 HydrophobicContact CE1-CB 4Å; Y234-K347 HydrophobicContact CE2-CD 4.49Å; Y234-K347 HydrophobicContact CG-CB 3.92Å; Y234-K347 HydrophobicContact CG-CD 4.29Å; K345-K347 PolarHBondContact O-N 3.34Å
348Y95.8Very high95Very high36 Ų3662.7 Ų62.714%0.14130%0.301CS..SBendtrans-100.9138.5-179.4-56-81.9000110.8E24 E27 Y228 N231 T353E24-Y348 VanDerWaalsContact OE1-CE2 3.28Å; E24-Y348 WeakPolarHBondContact OE1-CE2 3.44Å; E24-Y348 PolarHBondContact OE1-OH 3.4Å; E24-Y348 PolarHBondContact OE2-OH 2.95Å; E27-Y348 PolarHBondContact OE2-OH 3.32Å; Y228-Y348 AromaticContact CD1-CD2 3.8Å; Y228-Y348 HydrophobicContact CD1-CD2 3.8Å; Y228-Y348 HydrophobicContact CD1-CG 4.02Å; Y228-Y348 HydrophobicContact CE1-CD1 4.4Å; Y228-Y348 AromaticContact CE1-CD2 3.62Å; Y228-Y348 HydrophobicContact CE1-CD2 3.62Å; Y228-Y348 HydrophobicContact CE1-CE2 4.11Å; Y228-Y348 AromaticContact CE1-CG 3.78Å; Y228-Y348 HydrophobicContact CE1-CG 3.78Å; N231-Y348 PolarHBondContact ND2-O 3.31Å; N231-Y348 WeakPolarHBondContact OD1-CD2 3.49Å; N231-Y348 PolarHBondContact OD1-N 2.96Å; Y348-T353 HydrophobicContact CG-CG2 4.26Å
349Q94.1Very high94.9Very high104 Ų10469 Ų6949%0.48633%0.33SS..  trans-83.7141.5178.7-60.2-54.3-57.100111.3E351 D352 T353Q349-E351 VanDerWaalsContact C-N 3.31Å; Q349-E351 PolarHBondContact O-N 3.12Å; Q349-D352 PolarHBondContact O-N 2.8Å; Q349-T353 WeakPolarHBondContact O-CG2 3.37Å; Q349-T353 PolarHBondContact O-N 2.99Å; Q349-T353 PolarHBondContact O-OG1 2.89Å
350P89.8Confident94.9Very high27 Ų2767.3 Ų67.318%0.17532%0.324CS..Hα-helixtrans-55-37.9-174-27.935.5000115.4T261 T353 M354T261-P350 HydrophobicContact CG2-CB 3.69Å; T261-P350 HydrophobicContact CG2-CG 3.23Å; P350-T353 VanDerWaalsContact C-OG1 3.3Å; P350-T353 VanDerWaalsContact CA-OG1 3.25Å; P350-T353 WeakPolarHBondContact CA-OG1 3.38Å; P350-T353 PolarHBondContact O-OG1 3.39Å; P350-M354 VanDerWaalsContact O-CB 3.26Å; P350-M354 WeakPolarHBondContact O-CB 2.91Å; P350-M354 PolarHBondContact O-N 3.34Å
351E91.3Very high94.9Very high130 Ų13060.4 Ų60.461%0.60729%0.288SS*.Hα-helixtrans-66.7-44-179.5-67.572.2-16000111.3Q349 Q355Q349-E351 VanDerWaalsContact C-N 3.31Å; Q349-E351 PolarHBondContact O-N 3.12Å; E351-Q355 WeakPolarHBondContact O-CG 3.32Å; E351-Q355 PolarHBondContact O-N 2.79Å; E351-Q355 VanDerWaalsContact O-N 3.11Å
352D94.4Very high94.8Very high103 Ų10364.3 Ų64.355%0.55130%0.303SS*.Hα-helixtrans-68.7-42.1179.6-64.2-30.9000111.1Q349 Q355 R356Q349-D352 PolarHBondContact O-N 2.8Å; D352-Q355 PolarHBondContact O-N 2.94Å; D352-R356 VanDerWaalsContact O-CB 3.24Å; D352-R356 WeakPolarHBondContact O-CB 3.35Å; D352-R356 PolarHBondContact O-N 3.24Å
353T95.2Very high94.7Very high2 Ų267.4 Ų67.41%0.01233%0.33CS..Hα-helixtrans-66-39.7178.552.50000111.5Y194 Y228 Y348 Q349 P350 R356 T357Y194-T353 PolarHBondContact OH-OG1 3.37Å; Y228-T353 HydrophobicContact CD1-CG2 3.34Å; Y228-T353 HydrophobicContact CD2-CG2 3.81Å; Y228-T353 HydrophobicContact CE1-CG2 3.71Å; Y228-T353 HydrophobicContact CE2-CG2 4.14Å; Y228-T353 HydrophobicContact CG-CG2 3.4Å; Y228-T353 VanDerWaalsContact CG-CG2 3.4Å; Y348-T353 HydrophobicContact CG-CG2 4.26Å; Q349-T353 WeakPolarHBondContact O-CG2 3.37Å; Q349-T353 PolarHBondContact O-N 2.99Å; Q349-T353 PolarHBondContact O-OG1 2.89Å; P350-T353 VanDerWaalsContact C-OG1 3.3Å; P350-T353 VanDerWaalsContact CA-OG1 3.25Å; P350-T353 WeakPolarHBondContact CA-OG1 3.38Å; P350-T353 PolarHBondContact O-OG1 3.39Å; T353-R356 PolarHBondContact O-N 3.43Å; T353-T357 VanDerWaalsContact O-CB 3.31Å; T353-T357 WeakPolarHBondContact O-CB 3.35Å; T353-T357 PolarHBondContact O-N 2.98Å; T353-T357 PolarHBondContact O-OG1 3.38Å
354M93.6Very high94.5Very high47 Ų4763.5 Ų63.523%0.23231%0.309CS..Hα-helixtrans-61.8-48.1174.7179.356.56700111.1Y194 F269 F273 P350 T357 L358Y194-M354 HydrophobicContact CE2-CE 4.45Å; F269-M354 HydrophobicContact CD2-CE 3.81Å; F269-M354 HydrophobicContact CE2-CE 3.36Å; F269-M354 HydrophobicContact CZ-CE 4.16Å; F273-M354 HydrophobicContact CE1-SD 4.36Å; F273-M354 HydrophobicContact CE2-CE 4.31Å; F273-M354 HydrophobicContact CE2-SD 4.01Å; F273-M354 HydrophobicContact CZ-CE 4.22Å; F273-M354 HydrophobicContact CZ-SD 3.56Å; F273-M354 VanDerWaalsContact CZ-SD 3.56Å; P350-M354 VanDerWaalsContact O-CB 3.26Å; P350-M354 WeakPolarHBondContact O-CB 2.91Å; P350-M354 PolarHBondContact O-N 3.34Å; M354-T357 PolarHBondContact O-N 3.21Å; M354-L358 VanDerWaalsContact O-CB 3.32Å; M354-L358 WeakPolarHBondContact O-CB 3.19Å; M354-L358 PolarHBondContact O-N 2.97Å
355Q95.7Very high94.2Very high117 Ų11764.1 Ų64.155%0.54731%0.313SS..Hα-helixtrans-62.2-45177.6-72.1-178.410.500112.2E351 D352 T357 L358 Q359E351-Q355 WeakPolarHBondContact O-CG 3.32Å; E351-Q355 PolarHBondContact O-N 2.79Å; E351-Q355 VanDerWaalsContact O-N 3.11Å; D352-Q355 PolarHBondContact O-N 2.94Å; Q355-T357 PolarHBondContact O-N 3.27Å; Q355-L358 PolarHBondContact O-N 2.87Å; Q355-Q359 WeakPolarHBondContact O-CG 3.35Å; Q355-Q359 PolarHBondContact O-N 2.87Å
356R95.2Very high93.9Very high79 Ų7961.1 Ų61.130%0.29831%0.314SS..Hα-helixtrans-61.2-44.5178.1-170.4177.7179.2-176.9-1.9111.6E196 D352 T353 Q359 W360E196-R356 HydrophobicContact CG-CG 4.29Å; E196-R356 WeakPolarHBondContact OE1-CD 3.41Å; E196-R356 WeakPolarHBondContact OE1-CG 3.41Å; E196-R356 IonicContact OE1-CZ 2.96Å; E196-R356 IonicContact OE1-NE 3.11Å; E196-R356 PolarHBondContact OE1-NE 3.39Å; E196-R356 IonicContact OE1-NH2 3.99Å; E196-R356 PolarHBondContact OE1-NH2 2.94Å; D352-R356 VanDerWaalsContact O-CB 3.24Å; D352-R356 WeakPolarHBondContact O-CB 3.35Å; D352-R356 PolarHBondContact O-N 3.24Å; T353-R356 PolarHBondContact O-N 3.43Å; R356-Q359 PolarHBondContact O-N 3.18Å; R356-W360 PolarHBondContact O-N 3.44Å
357T96.1Very high93.4Very high1 Ų167.5 Ų67.51%0.00634%0.342CS..Hα-helixtrans-62.9-44.3175.9-53.60000110.9Y194 G195 F273 T353 M354 Q355 Q359 W360 W361Y194-T357 HydrophobicContact CD2-CG2 4.32Å; G195-T357 WeakPolarHBondContact CA-OG1 3.3Å; G195-T357 WeakPolarHBondContact O-CG2 3.44Å; F273-T357 HydrophobicContact CE1-CG2 3.64Å; F273-T357 HydrophobicContact CZ-CG2 3.95Å; T353-T357 VanDerWaalsContact O-CB 3.31Å; T353-T357 WeakPolarHBondContact O-CB 3.35Å; T353-T357 PolarHBondContact O-N 2.98Å; T353-T357 PolarHBondContact O-OG1 3.38Å; M354-T357 PolarHBondContact O-N 3.21Å; Q355-T357 PolarHBondContact O-N 3.27Å; T357-Q359 PolarHBondContact O-N 2.93Å; T357-W360 PolarHBondContact O-N 2.96Å; T357-W361 VanDerWaalsContact O-CB 3.29Å; T357-W361 WeakPolarHBondContact O-CB 3.42Å; T357-W361 PolarHBondContact O-N 2.78Å
358L96Very high92.6Very high34 Ų3468.1 Ų68.118%0.17834%0.343CS..Hα-helixtrans-63.8-40.2179.2-173.164.8000112.4P272 F273 A276 M354 Q355 W361 K362P272-L358 HydrophobicContact CB-CD1 4.11Å; P272-L358 HydrophobicContact CB-CD2 4.41Å; P272-L358 WeakPolarHBondContact O-CD1 3.46Å; F273-L358 HydrophobicContact CD1-CD1 4.06Å; F273-L358 HydrophobicContact CE1-CD1 4.39Å; A276-L358 HydrophobicContact CB-CD1 3.56Å; M354-L358 VanDerWaalsContact O-CB 3.32Å; M354-L358 WeakPolarHBondContact O-CB 3.19Å; M354-L358 PolarHBondContact O-N 2.97Å; Q355-L358 PolarHBondContact O-N 2.87Å; L358-W361 PolarHBondContact O-N 3.19Å; L358-K362 VanDerWaalsContact O-CG 3.31Å; L358-K362 WeakPolarHBondContact O-CG 3.36Å; L358-K362 PolarHBondContact O-N 2.97Å
359Q95.4Very high92.4Very high132 Ų13269.7 Ų69.762%0.61735%0.353SS*.Hα-helixtrans-63.3-46.2175-73.8174.54.200111.3Q355 R356 T357 W361 K362 A363Q355-Q359 WeakPolarHBondContact O-CG 3.35Å; Q355-Q359 PolarHBondContact O-N 2.87Å; R356-Q359 PolarHBondContact O-N 3.18Å; T357-Q359 PolarHBondContact O-N 2.93Å; Q359-W361 VanDerWaalsContact C-N 3.33Å; Q359-W361 PolarHBondContact O-N 3.46Å; Q359-K362 PolarHBondContact O-N 3.48Å; Q359-A363 PolarHBondContact O-N 2.92Å
360W95Very high92.3Very high43 Ų4367.9 Ų67.916%0.16335%0.346CS..Hα-helixtrans-61.5-44175.8-174.193.1000111.4E196 G197 R356 T357 A363 N364 Y368E196-W360 HydrophobicContact CB-CB 3.91Å; E196-W360 HydrophobicContact CB-CD2 3.89Å; E196-W360 HydrophobicContact CB-CG 3.5Å; E196-W360 VanDerWaalsContact CB-CG 3.5Å; E196-W360 HydrophobicContact CG-CB 3.51Å; E196-W360 HydrophobicContact CG-CD2 4.5Å; E196-W360 HydrophobicContact CG-CG 3.68Å; G197-W360 VanDerWaalsContact N-CH2 3.33Å; G197-W360 VanDerWaalsContact N-CZ2 3.34Å; G197-W360 VanDerWaalsContact N-CZ3 3.33Å; R356-W360 PolarHBondContact O-N 3.44Å; T357-W360 PolarHBondContact O-N 2.96Å; W360-A363 PolarHBondContact O-N 3.47Å; W360-N364 HydrophobicContact CD2-CB 4.38Å; W360-N364 HydrophobicContact CE3-CB 4.27Å; W360-N364 HydrophobicContact CH2-CB 3.8Å; W360-N364 HydrophobicContact CZ2-CB 3.97Å; W360-N364 HydrophobicContact CZ3-CB 3.99Å; W360-N364 WeakPolarHBondContact O-CB 3.43Å; W360-N364 PolarHBondContact O-N 3.42Å; W360-N364 VanDerWaalsContact O-N 3.11Å; W360-N364 PolarHBondContact O-ND2 3.18Å; W360-Y368 AromaticContact CH2-CE2 3.76Å; W360-Y368 HydrophobicContact CH2-CE2 3.76Å; W360-Y368 WeakPolarHBondContact CH2-OH 3.15Å; W360-Y368 AromaticContact CZ3-CE2 4Å; W360-Y368 HydrophobicContact CZ3-CE2 4Å
361W95.4Very high92.5Very high1 Ų170.2 Ų70.20%0.00436%0.355CS..Hα-helixtrans-60.4-47.6178.4-176.7-111000111.8L202 M206 F273 S277 T357 L358 Q359 A363 N364 C365 Y368L202-W361 HydrophobicContact CB-CE3 4.16Å; L202-W361 HydrophobicContact CB-CH2 3.45Å; L202-W361 VanDerWaalsContact CB-CH2 3.45Å; L202-W361 HydrophobicContact CB-CZ2 3.97Å; L202-W361 HydrophobicContact CB-CZ3 3.55Å; L202-W361 HydrophobicContact CD1-CD2 3.96Å; L202-W361 HydrophobicContact CD1-CE3 3.65Å; L202-W361 HydrophobicContact CD1-CH2 4.43Å; L202-W361 HydrophobicContact CD1-CZ3 3.92Å; L202-W361 HydrophobicContact CG-CH2 4.47Å; L202-W361 HydrophobicContact CG-CZ3 4.36Å; M206-W361 HydrophobicContact CG-CH2 3.5Å; M206-W361 HydrophobicContact CG-CZ2 3.32Å; M206-W361 HydrophobicContact SD-CH2 4.44Å; M206-W361 HydrophobicContact SD-CZ2 3.7Å; F273-W361 HydrophobicContact CD1-CB 4.15Å; F273-W361 AromaticContact CD1-CD1 3.96Å; F273-W361 AromaticContact CD1-CG 4Å; F273-W361 HydrophobicContact CD1-CG 4Å; F273-W361 PolarHBondContact O-NE1 3.1Å; S277-W361 PolarHBondContact OG-NE1 3.45Å; T357-W361 VanDerWaalsContact O-CB 3.29Å; T357-W361 WeakPolarHBondContact O-CB 3.42Å; T357-W361 PolarHBondContact O-N 2.78Å; L358-W361 PolarHBondContact O-N 3.19Å; Q359-W361 VanDerWaalsContact C-N 3.33Å; Q359-W361 PolarHBondContact O-N 3.46Å; W361-A363 PolarHBondContact O-N 3.01Å; W361-N364 PolarHBondContact O-N 3.26Å; W361-C365 HydrophobicContact CD2-CB 3.84Å; W361-C365 HydrophobicContact CE3-CB 4.29Å; W361-C365 HydrophobicContact CG-CB 4.3Å; W361-C365 HydrophobicContact CH2-CB 4.16Å; W361-C365 HydrophobicContact CZ2-CB 3.73Å; W361-C365 HydrophobicContact CZ3-CB 4.43Å; W361-C365 WeakPolarHBondContact O-CB 3.44Å; W361-C365 PolarHBondContact O-N 3.43Å; W361-C365 PolarHBondContact O-SG 3.21Å; W361-Y368 HydrophobicContact CH2-CD2 4.13Å; W361-Y368 HydrophobicContact CH2-CG 4.24Å; W361-Y368 AromaticContact CZ3-CD2 3.67Å; W361-Y368 HydrophobicContact CZ3-CD2 3.67Å; W361-Y368 AromaticContact CZ3-CE2 3.92Å; W361-Y368 HydrophobicContact CZ3-CE2 3.92Å; W361-Y368 HydrophobicContact CZ3-CG 4.13Å
362K94.4Very high92.6Very high123 Ų12366.6 Ų66.654%0.53534%0.34SS..Hα-helixtrans-55.4-36.1175.4-76.4174.5179.5-179.70113.3A276 L358 Q359A276-K362 HydrophobicContact CB-CD 4.33Å; A276-K362 HydrophobicContact CB-CG 3.63Å; L358-K362 VanDerWaalsContact O-CG 3.31Å; L358-K362 WeakPolarHBondContact O-CG 3.36Å; L358-K362 PolarHBondContact O-N 2.97Å; Q359-K362 PolarHBondContact O-N 3.48Å
363A93.6Very high92.4Very high75 Ų7564.4 Ų64.462%0.6233%0.327SS*.Hα-helixtrans-78.8-23.2179.900000113.4Q359 W360 W361Q359-A363 PolarHBondContact O-N 2.92Å; W360-A363 PolarHBondContact O-N 3.47Å; W361-A363 PolarHBondContact O-N 3.01Å
364N93.2Very high92.3Very high45 Ų4568.5 Ų68.524%0.24135%0.348CS..Hα-helixtrans-121.6-14.2-168.3-66.7-83.3000114.8W360 W361 A366 H367 Y368W360-N364 HydrophobicContact CD2-CB 4.38Å; W360-N364 HydrophobicContact CE3-CB 4.27Å; W360-N364 HydrophobicContact CH2-CB 3.8Å; W360-N364 HydrophobicContact CZ2-CB 3.97Å; W360-N364 HydrophobicContact CZ3-CB 3.99Å; W360-N364 WeakPolarHBondContact O-CB 3.43Å; W360-N364 PolarHBondContact O-N 3.42Å; W360-N364 VanDerWaalsContact O-N 3.11Å; W360-N364 PolarHBondContact O-ND2 3.18Å; W361-N364 PolarHBondContact O-N 3.26Å; N364-A366 PolarHBondContact O-N 3.43Å; N364-H367 WeakPolarHBondContact O-CB 3.33Å; N364-H367 PolarHBondContact O-N 2.9Å; N364-Y368 HydrophobicContact CB-CE2 4.46Å; N364-Y368 WeakPolarHBondContact O-CD2 3.45Å
365C89.4Confident92.2Very high15 Ų1570.1 Ų70.110%0.10136%0.357CS..G310 helixtrans-59.3-24.5-173.6650000113.5W361 H367 Y368W361-C365 HydrophobicContact CD2-CB 3.84Å; W361-C365 HydrophobicContact CE3-CB 4.29Å; W361-C365 HydrophobicContact CG-CB 4.3Å; W361-C365 HydrophobicContact CH2-CB 4.16Å; W361-C365 HydrophobicContact CZ2-CB 3.73Å; W361-C365 HydrophobicContact CZ3-CB 4.43Å; W361-C365 WeakPolarHBondContact O-CB 3.44Å; W361-C365 PolarHBondContact O-N 3.43Å; W361-C365 PolarHBondContact O-SG 3.21Å; C365-H367 PolarHBondContact O-N 2.83Å; C365-Y368 PolarHBondContact O-N 3.34Å
366A87.6Confident91.9Very high76 Ų7666.5 Ų66.563%0.62834%0.342SS*.G310 helixtrans-64.3-26.7177.400000113.3R210 N364 Y368R210-A366 PolarHBondContact NH2-O 2.66Å; N364-A366 PolarHBondContact O-N 3.43Å; A366-Y368 VanDerWaalsContact C-N 3.29Å
367H84Confident91.6Very high160 Ų16065.4 Ų65.474%0.74135%0.346SS*.G310 helixtrans-80.2-8.2178.3-60.9-59.5000113.7N364 C365N364-H367 WeakPolarHBondContact O-CB 3.33Å; N364-H367 PolarHBondContact O-N 2.9Å; C365-H367 PolarHBondContact O-N 2.83Å
368Y79.3Confident91.2Very high80 Ų8071.3 Ų71.331%0.31438%0.376SS..  trans-102.70-175-73.9-78.2000114.6E198 N199 P203 R210 W360 W361 N364 C365 A366E198-Y368 PolarHBondContact O-OH 3.32Å; E198-Y368 VanDerWaalsContact O-OH 3.13Å; N199-Y368 HydrophobicContact CB-CE1 4.41Å; P203-Y368 HydrophobicContact CB-CD1 3.78Å; P203-Y368 HydrophobicContact CB-CE1 4.39Å; P203-Y368 HydrophobicContact CG-CD1 3.45Å; P203-Y368 VanDerWaalsContact CG-CD1 3.45Å; P203-Y368 HydrophobicContact CG-CE1 3.59Å; P203-Y368 HydrophobicContact CG-CG 4.39Å; R210-Y368 PolarHBondContact NE-O 2.82Å; R210-Y368 PolarHBondContact NH2-O 3.04Å; W360-Y368 AromaticContact CH2-CE2 3.76Å; W360-Y368 HydrophobicContact CH2-CE2 3.76Å; W360-Y368 WeakPolarHBondContact CH2-OH 3.15Å; W360-Y368 AromaticContact CZ3-CE2 4Å; W360-Y368 HydrophobicContact CZ3-CE2 4Å; W361-Y368 HydrophobicContact CH2-CD2 4.13Å; W361-Y368 HydrophobicContact CH2-CG 4.24Å; W361-Y368 AromaticContact CZ3-CD2 3.67Å; W361-Y368 HydrophobicContact CZ3-CD2 3.67Å; W361-Y368 AromaticContact CZ3-CE2 3.92Å; W361-Y368 HydrophobicContact CZ3-CE2 3.92Å; W361-Y368 HydrophobicContact CZ3-CG 4.13Å; N364-Y368 HydrophobicContact CB-CE2 4.46Å; N364-Y368 WeakPolarHBondContact O-CD2 3.45Å; C365-Y368 PolarHBondContact O-N 3.34Å; A366-Y368 VanDerWaalsContact C-N 3.29Å

Retrieved 368 of 368 residues in 516 ms (Link to these results)

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