A0A5K4F1Y9_SCHMA Loading...

GATOR complex protein NPRL3

As a component of the GATOR1 complex functions as an inhibitor of the amino acid-sensing branch of the TORC1 pathway.

AlphaFold DB , UniProt , Accession A0A5K4F1Y9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 876 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
1M38.8Very low70.3Confident226 Ų22661.2 Ų61.2100%1.11334%0.34SS*.  0128.50-68.4148.976.200107.3
2T50.9Low71.5Confident72 Ų7262.2 Ų62.244%0.44234%0.344SS..  trans-102.2112.4171.951.90000108.1V4 I9T2-V4 PolarHBondContact O-N 3.18Å; T2-I9 HydrophobicContact CG2-CG2 3.81Å
3D56.2Low72.3Confident69 Ų6964.1 Ų64.137%0.36935%0.349SS..  trans-61.6131169.3-173.6-3.6000109.1G5 T6 R512D3-G5 VanDerWaalsContact C-N 3.35Å; D3-G5 PolarHBondContact OD1-N 3.04Å; D3-T6 HydrophobicContact CB-CG2 3.83Å; D3-T6 PolarHBondContact O-OG1 3.39Å; D3-T6 WeakPolarHBondContact OD2-CG2 3.14Å; D3-R512 PolarHBondContact O-NH1 2.97Å; D3-R512 PolarHBondContact O-NH2 3.22Å
4V61Low73.1Confident132 Ų13269.6 Ų69.680%0.837%0.368SS*.THydrogen-bonded Turntrans-74.8-30.7178.9-175.70000110.1T2 T6T2-V4 PolarHBondContact O-N 3.18Å; V4-T6 VanDerWaalsContact C-N 3.27Å; V4-T6 PolarHBondContact O-N 3.15Å
5G68.1Low74Confident43 Ų4367.3 Ų67.344%0.44335%0.354SS..THydrogen-bonded Turntrans-82.222.8-179.700000115.6D3 P873D3-G5 VanDerWaalsContact C-N 3.35Å; D3-G5 PolarHBondContact OD1-N 3.04Å; G5-P873 WeakPolarHBondContact O-CB 3.4Å; G5-P873 VanDerWaalsContact O-CD 3.32Å; G5-P873 WeakPolarHBondContact O-CD 3.33Å; G5-P873 WeakPolarHBondContact O-CG 3.44Å
6T80.4Confident74.8Confident12 Ų1263.1 Ų63.17%0.07433%0.332CS..SBendtrans-123.2173.9-179.757.80000112.2D3 V4 L8 R512 G871D3-T6 HydrophobicContact CB-CG2 3.83Å; D3-T6 PolarHBondContact O-OG1 3.39Å; D3-T6 WeakPolarHBondContact OD2-CG2 3.14Å; V4-T6 VanDerWaalsContact C-N 3.27Å; V4-T6 PolarHBondContact O-N 3.15Å; T6-L8 PolarHBondContact OG1-O 3.43Å; T6-R512 PolarHBondContact O-NH1 3Å; T6-R512 PolarHBondContact OG1-NH1 3.32Å; T6-G871 WeakPolarHBondContact CB-O 3.44Å
7S84Confident75.5Confident2 Ų260.1 Ų60.11%0.01432%0.316CS..SBendtrans-97.4216171.40000113.7R512 C868 G871 I872S7-R512 WeakPolarHBondContact O-CB 3.39Å; S7-R512 WeakPolarHBondContact O-CG 3.41Å; S7-R512 PolarHBondContact O-N 3.18Å; S7-C868 WeakPolarHBondContact CB-O 3.44Å; S7-C868 PolarHBondContact OG-O 2.9Å; S7-G871 PolarHBondContact N-O 3.12Å; S7-G871 WeakPolarHBondContact OG-CA 3.12Å; S7-G871 PolarHBondContact OG-O 3.26Å; S7-I872 WeakPolarHBondContact CB-O 3.05Å; S7-I872 PolarHBondContact OG-O 3.2Å
8L86.3Confident76.5Confident0 Ų056.8 Ų56.80%030%0.299CS..EExtended strand (participates in β ladder)trans-97136.9-179.2-53.9-173.8000113.2T6 Y10 V509 A510 R512 H607 A610 W611 G871T6-L8 PolarHBondContact OG1-O 3.43Å; L8-Y10 HydrophobicContact CB-CE2 4.31Å; L8-V509 HydrophobicContact CB-CG1 4.42Å; L8-V509 HydrophobicContact CD1-CG1 3.95Å; L8-V509 HydrophobicContact CD2-CG1 4.41Å; L8-V509 HydrophobicContact CG-CG1 4.49Å; L8-A510 CarbonylContact C-O 3.51Å; L8-A510 WeakPolarHBondContact CA-O 3.44Å; L8-R512 PolarHBondContact O-NH1 3.17Å; L8-H607 HydrophobicContact CD1-CB 3.64Å; L8-A610 HydrophobicContact CD1-CB 4.33Å; L8-W611 HydrophobicContact CD1-CZ2 4.43Å; L8-W611 HydrophobicContact CD2-CH2 4.29Å; L8-W611 HydrophobicContact CD2-CZ2 3.47Å; L8-W611 VanDerWaalsContact CD2-CZ2 3.47Å; L8-G871 VanDerWaalsContact CD2-CA 3.41Å; L8-G871 VanDerWaalsContact CG-CA 3.42Å
9I83.6Confident77.2Confident20 Ų2058.4 Ų58.410%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-109.2135.9163.5-39.2177.5000109.6T2 W11 A510 R512T2-I9 HydrophobicContact CG2-CG2 3.81Å; I9-W11 HydrophobicContact CB-CD2 4.26Å; I9-W11 HydrophobicContact CD1-CH2 3.74Å; I9-W11 HydrophobicContact CD1-CZ2 3.44Å; I9-W11 VanDerWaalsContact CD1-CZ2 3.44Å; I9-W11 HydrophobicContact CD1-CZ3 4.42Å; I9-W11 HydrophobicContact CG2-CD2 3.83Å; I9-W11 VanDerWaalsContact CG2-CE2 3.48Å; I9-W11 HydrophobicContact CG2-CG 3.9Å; I9-W11 HydrophobicContact CG2-CZ2 4.08Å; I9-W11 VanDerWaalsContact CG2-NE1 3.32Å; I9-A510 PolarHBondContact N-O 2.68Å; I9-A510 PolarHBondContact O-N 3.14Å; I9-R512 HydrophobicContact CD1-CG 3.78Å; I9-R512 HydrophobicContact CG1-CB 4.48Å; I9-R512 HydrophobicContact CG1-CG 3.4Å; I9-R512 VanDerWaalsContact CG1-CG 3.4Å
10Y84.3Confident77.9Confident74 Ų7455.5 Ų55.529%0.2929%0.285SS..EExtended strand (participates in β ladder)trans-99.4115.1170.8-65.2-87.5000107.7L8 V509 A610L8-Y10 HydrophobicContact CB-CE2 4.31Å; Y10-V509 HydrophobicContact CD1-CG2 3.88Å; Y10-V509 HydrophobicContact CE1-CG1 4.31Å; Y10-V509 HydrophobicContact CE1-CG2 3.72Å; Y10-A610 HydrophobicContact CE1-CB 4.24Å; Y10-A610 WeakPolarHBondContact OH-CB 3.32Å
11W80.2Confident78.6Confident23 Ų2352.8 Ų52.89%0.08727%0.272CS..EExtended strand (participates in β ladder)trans-133148.1-175.9-80.6-31.1000112I9 E15 I16 P301 V304 H493 C507 M508 A510I9-W11 HydrophobicContact CB-CD2 4.26Å; I9-W11 HydrophobicContact CD1-CH2 3.74Å; I9-W11 HydrophobicContact CD1-CZ2 3.44Å; I9-W11 VanDerWaalsContact CD1-CZ2 3.44Å; I9-W11 HydrophobicContact CD1-CZ3 4.42Å; I9-W11 HydrophobicContact CG2-CD2 3.83Å; I9-W11 VanDerWaalsContact CG2-CE2 3.48Å; I9-W11 HydrophobicContact CG2-CG 3.9Å; I9-W11 HydrophobicContact CG2-CZ2 4.08Å; I9-W11 VanDerWaalsContact CG2-NE1 3.32Å; W11-E15 WeakPolarHBondContact CA-OE2 3.29Å; W11-E15 WeakPolarHBondContact CB-OE2 3.42Å; W11-I16 HydrophobicContact CB-CD1 3.56Å; W11-I16 HydrophobicContact CB-CG1 3.78Å; W11-I16 HydrophobicContact CD2-CD1 4.45Å; W11-I16 HydrophobicContact CD2-CG1 4.19Å; W11-I16 HydrophobicContact CE3-CD1 3.88Å; W11-I16 HydrophobicContact CE3-CG1 3.69Å; W11-I16 HydrophobicContact CG-CD1 4.4Å; W11-I16 HydrophobicContact CG-CG1 4.28Å; W11-I16 HydrophobicContact CZ3-CG1 4.48Å; W11-P301 HydrophobicContact CH2-CG 3.83Å; W11-P301 HydrophobicContact CZ2-CB 4.06Å; W11-P301 HydrophobicContact CZ2-CG 3.29Å; W11-V304 HydrophobicContact CH2-CG2 3.71Å; W11-V304 HydrophobicContact CZ3-CG2 3.67Å; W11-H493 HydrophobicContact CE3-CB 4.49Å; W11-H493 AromaticContact CH2-CD2 3.52Å; W11-H493 AromaticContact CH2-NE2 3.45Å; W11-H493 WeakPolarHBondContact CH2-NE2 3.39Å; W11-H493 HydrophobicContact CZ3-CB 3.83Å; W11-H493 AromaticContact CZ3-CD2 3.27Å; W11-H493 WeakPolarHBondContact CZ3-CD2 3.43Å; W11-H493 AromaticContact CZ3-CG 3.5Å; W11-H493 VanDerWaalsContact CZ3-CG 3.5Å; W11-H493 AromaticContact CZ3-NE2 3.68Å; W11-C507 CarbonylContact O-C 3.25Å; W11-C507 WeakPolarHBondContact O-CA 3.35Å; W11-M508 PolarHBondContact N-O 3.49Å; W11-M508 VanDerWaalsContact N-O 3.08Å; W11-M508 PolarHBondContact O-N 3.23Å; W11-A510 HydrophobicContact CE3-CB 4.37Å
12N84Confident81.1Confident73 Ų7342.1 Ų42.139%0.3922%0.219SC..EExtended strand (participates in β ladder)trans-78.3148.9169.6-63.6-73.8000110.3K14 E15N12-K14 PolarHBondContact O-N 3.39Å; N12-K14 VanDerWaalsContact O-N 3.08Å; N12-E15 HydrophobicContact CB-CG 4.32Å; N12-E15 PolarHBondContact N-OE2 3.48Å; N12-E15 PolarHBondContact ND2-OE1 2.75Å; N12-E15 WeakPolarHBondContact O-CB 3.22Å; N12-E15 PolarHBondContact O-N 3.24Å
13E81.9Confident83.1Confident87 Ų8738.7 Ų38.741%0.40720%0.198SC..Hα-helixtrans-55.5-33.8-180-63.7-16011200113.6E15 I16 L17 K494E13-E15 VanDerWaalsContact C-N 3.25Å; E13-E15 PolarHBondContact O-N 3.11Å; E13-I16 PolarHBondContact O-N 3.11Å; E13-I16 VanDerWaalsContact O-N 3.16Å; E13-L17 HydrophobicContact CB-CD1 4.21Å; E13-L17 WeakPolarHBondContact O-CB 3.35Å; E13-L17 WeakPolarHBondContact O-CG 3.09Å; E13-L17 PolarHBondContact O-N 3.42Å; E13-K494 IonicContact OE1-NZ 3.31Å
14K84.5Confident84.7Confident142 Ų14235.4 Ų35.462%0.61718%0.181SC*.Hα-helixtrans-59.5-29.1174.9-70.6-169.1167.3-158.90114.7N12 I16 D297N12-K14 PolarHBondContact O-N 3.39Å; N12-K14 VanDerWaalsContact O-N 3.08Å; K14-I16 VanDerWaalsContact C-N 3.29Å; K14-D297 HydrophobicContact CB-CB 4.34Å; K14-D297 WeakPolarHBondContact O-CB 3.28Å
15E85.7Confident86Confident34 Ų3429.4 Ų29.416%0.15914%0.144CC..Hα-helixtrans-78.2-19.5-178.7-67155.2-16400111.4W11 N12 E13 A300 P301W11-E15 WeakPolarHBondContact CA-OE2 3.29Å; W11-E15 WeakPolarHBondContact CB-OE2 3.42Å; N12-E15 HydrophobicContact CB-CG 4.32Å; N12-E15 PolarHBondContact N-OE2 3.48Å; N12-E15 PolarHBondContact ND2-OE1 2.75Å; N12-E15 WeakPolarHBondContact O-CB 3.22Å; N12-E15 PolarHBondContact O-N 3.24Å; E13-E15 VanDerWaalsContact C-N 3.25Å; E13-E15 PolarHBondContact O-N 3.11Å; E15-A300 WeakPolarHBondContact O-CA 3.02Å; E15-A300 WeakPolarHBondContact O-CB 3.37Å; E15-P301 WeakPolarHBondContact O-CD 3.17Å
16I86.4Confident86.7Confident0 Ų027.7 Ų27.70%013%0.126CC..Hα-helixtrans-114.4-41.5-166.5-43170.1000111.6W11 E13 K14 V304 L491 H493 M508W11-I16 HydrophobicContact CB-CD1 3.56Å; W11-I16 HydrophobicContact CB-CG1 3.78Å; W11-I16 HydrophobicContact CD2-CD1 4.45Å; W11-I16 HydrophobicContact CD2-CG1 4.19Å; W11-I16 HydrophobicContact CE3-CD1 3.88Å; W11-I16 HydrophobicContact CE3-CG1 3.69Å; W11-I16 HydrophobicContact CG-CD1 4.4Å; W11-I16 HydrophobicContact CG-CG1 4.28Å; W11-I16 HydrophobicContact CZ3-CG1 4.48Å; E13-I16 PolarHBondContact O-N 3.11Å; E13-I16 VanDerWaalsContact O-N 3.16Å; K14-I16 VanDerWaalsContact C-N 3.29Å; I16-V304 HydrophobicContact CG2-CG2 4.41Å; I16-V304 WeakPolarHBondContact O-CG1 3.23Å; I16-L491 HydrophobicContact CG2-CD2 4.22Å; I16-H493 HydrophobicContact CG2-CB 4.22Å; I16-M508 HydrophobicContact CD1-CB 4.16Å; I16-M508 HydrophobicContact CD1-CE 3.32Å; I16-M508 HydrophobicContact CD1-SD 4.36Å; I16-M508 HydrophobicContact CG2-CE 4.27Å
17L88Confident86.6Confident13 Ų1327.8 Ų27.87%0.06813%0.129CC..SBendtrans-95.4136-170.6-55.3-171.8000111.2E13 F39 K494E13-L17 HydrophobicContact CB-CD1 4.21Å; E13-L17 WeakPolarHBondContact O-CB 3.35Å; E13-L17 WeakPolarHBondContact O-CG 3.09Å; E13-L17 PolarHBondContact O-N 3.42Å; L17-F39 HydrophobicContact CD1-CE1 4.49Å; L17-K494 HydrophobicContact CD2-CD 4.29Å
18P92Very high85.9Confident1 Ų132.4 Ų32.41%0.00616%0.161CC..  trans-66.2133.7172.727.8-34.4000111.7G20 F294 L295 M296 L468 V471P18-G20 PolarHBondContact O-N 3.45Å; P18-F294 HydrophobicContact CB-CB 4.17Å; P18-F294 HydrophobicContact CB-CD1 3.86Å; P18-F294 HydrophobicContact CB-CG 4.38Å; P18-F294 HydrophobicContact CG-CD1 4.15Å; P18-L295 CarbonylContact C-O 3.57Å; P18-L295 WeakPolarHBondContact CA-O 3.35Å; P18-M296 WeakPolarHBondContact CA-SD 3.46Å; P18-M296 HydrophobicContact CB-SD 3.96Å; P18-L468 HydrophobicContact CB-CD1 4.1Å; P18-L468 HydrophobicContact CG-CD1 3.63Å; P18-V471 HydrophobicContact CG-CG1 4.17Å
19R89.9Confident84.9Confident86 Ų8634.8 Ų34.833%0.32519%0.186SC..SBendtrans-64.7-22169.8-61.5-176.463.6161.23.5112.2S38 F39 E218 N247 L295R19-S38 CarbonylContact O-C 3.56Å; R19-S38 WeakPolarHBondContact O-CA 3.38Å; R19-S38 PolarHBondContact O-OG 3.15Å; R19-F39 PolarHBondContact O-N 3.33Å; R19-E218 IonicContact CZ-OE1 3.12Å; R19-E218 IonicContact CZ-OE2 2.9Å; R19-E218 VanDerWaalsContact NE-CD 3.28Å; R19-E218 IonicContact NE-OE1 2.66Å; R19-E218 PolarHBondContact NE-OE1 2.99Å; R19-E218 IonicContact NE-OE2 2.69Å; R19-E218 PolarHBondContact NE-OE2 3.18Å; R19-E218 IonicContact NH1-OE2 3.5Å; R19-E218 PolarHBondContact NH1-OE2 2.88Å; R19-E218 IonicContact NH2-OE1 2.76Å; R19-E218 PolarHBondContact NH2-OE1 3.48Å; R19-E218 IonicContact NH2-OE2 3.05Å; R19-E218 PolarHBondContact NH2-OE2 2.88Å; R19-N247 PolarHBondContact NH1-OD1 2.98Å; R19-L295 HydrophobicContact CB-CB 4.37Å; R19-L295 HydrophobicContact CB-CG 4.25Å; R19-L295 PolarHBondContact N-O 2.9Å
20G91.2Very high84.4Confident0 Ų035.7 Ų35.70%020%0.2CC..EExtended strand (participates in β ladder)trans172.8-179.2172.600000113.8P18 W36 Q37 F294 L295P18-G20 PolarHBondContact O-N 3.45Å; G20-W36 VanDerWaalsContact CA-CH2 3.49Å; G20-Q37 CarbonylContact C-O 3.51Å; G20-Q37 WeakPolarHBondContact CA-O 3.48Å; G20-F294 WeakPolarHBondContact O-CA 3.29Å; G20-L295 PolarHBondContact O-N 3.48Å
21I93.4Very high84.1Confident0 Ų035.7 Ų35.70%021%0.205CC..EExtended strand (participates in β ladder)trans-123.1142.5178.3-164.4175.1000110.3F35 W36 Q37 G293 F294 I315 L464 L468I21-F35 HydrophobicContact CG2-CE1 4.35Å; I21-W36 WeakPolarHBondContact O-CA 3.16Å; I21-W36 VanDerWaalsContact O-CE3 3.26Å; I21-Q37 HydrophobicContact CG2-CB 4.18Å; I21-Q37 PolarHBondContact N-O 3.07Å; I21-Q37 PolarHBondContact O-N 3.22Å; I21-G293 WeakPolarHBondContact CA-O 3.29Å; I21-G293 WeakPolarHBondContact CG1-O 3.48Å; I21-F294 HydrophobicContact CB-CD1 4.01Å; I21-F294 HydrophobicContact CB-CE1 3.98Å; I21-F294 HydrophobicContact CD1-CD1 4.35Å; I21-F294 HydrophobicContact CD1-CE1 3.58Å; I21-F294 HydrophobicContact CD1-CZ 3.77Å; I21-F294 HydrophobicContact CG1-CD1 3.94Å; I21-F294 HydrophobicContact CG1-CE1 3.69Å; I21-F294 HydrophobicContact CG1-CZ 4.17Å; I21-I315 HydrophobicContact CD1-CD1 4.31Å; I21-L464 HydrophobicContact CD1-CB 4.31Å; I21-L464 HydrophobicContact CD1-CD2 3.81Å; I21-L468 HydrophobicContact CB-CD1 4.39Å; I21-L468 HydrophobicContact CG2-CB 4.16Å; I21-L468 HydrophobicContact CG2-CD2 4.13Å
22F91.8Very high84.2Confident1 Ų137.3 Ų37.30%0.00421%0.211CC..EExtended strand (participates in β ladder)trans-128.7150.8176.769.6-88000113.1L33 F35 W36 I217 L229 F249 T291 G293F22-L33 HydrophobicContact CB-CD1 4.17Å; F22-F35 VanDerWaalsContact CA-O 3.3Å; F22-F35 WeakPolarHBondContact CA-O 3.25Å; F22-W36 HydrophobicContact CB-CE3 4.12Å; F22-I217 HydrophobicContact CB-CD1 4.19Å; F22-L229 HydrophobicContact CE2-CD1 3.98Å; F22-L229 HydrophobicContact CE2-CD2 4.21Å; F22-L229 HydrophobicContact CZ-CD2 4.21Å; F22-F249 HydrophobicContact CD1-CD1 4.31Å; F22-F249 HydrophobicContact CE1-CB 4.41Å; F22-F249 AromaticContact CE1-CD1 3.79Å; F22-F249 HydrophobicContact CE1-CD1 3.79Å; F22-F249 HydrophobicContact CZ-CD1 4.3Å; F22-T291 HydrophobicContact CE2-CG2 3.85Å; F22-T291 HydrophobicContact CZ-CG2 4.43Å; F22-G293 VanDerWaalsContact CD1-C 3.46Å; F22-G293 VanDerWaalsContact CD1-O 3.29Å; F22-G293 WeakPolarHBondContact CD1-O 3.37Å; F22-G293 PolarHBondContact N-O 3.36Å; F22-G293 PolarHBondContact O-N 3.42Å; F22-G293 VanDerWaalsContact O-N 3.08Å
23L92Very high84.2Confident1 Ų134.1 Ų34.11%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-128.2126.1171.1177.373.7000108.7L34 F35 F290 T291 V292 L329 L460 L464L23-L34 HydrophobicContact CD2-CB 4.23Å; L23-L34 HydrophobicContact CD2-CD1 4.11Å; L23-L34 HydrophobicContact CG-CB 4.36Å; L23-L34 HydrophobicContact CG-CD1 4.34Å; L23-L34 PolarHBondContact O-N 2.92Å; L23-F35 HydrophobicContact CB-CB 4.12Å; L23-F35 PolarHBondContact N-O 3.38Å; L23-F35 PolarHBondContact O-N 3.19Å; L23-F35 VanDerWaalsContact O-N 3.14Å; L23-F290 HydrophobicContact CD1-CD2 4.1Å; L23-T291 WeakPolarHBondContact CA-O 3.39Å; L23-V292 HydrophobicContact CD1-CG2 3.83Å; L23-L329 HydrophobicContact CD2-CD1 4.28Å; L23-L460 HydrophobicContact CD2-CD2 3.7Å; L23-L460 HydrophobicContact CD2-CG 4.4Å; L23-L464 HydrophobicContact CB-CD1 4.15Å; L23-L464 HydrophobicContact CD2-CD1 4.24Å
24S89.6Confident84.3Confident0 Ų030.1 Ų30.10%018%0.175CC..EExtended strand (participates in β ladder)trans-128.1155.4171.368.30000112.1R32 Q231 F290 T291S24-R32 CarbonylContact C-O 3.6Å; S24-R32 VanDerWaalsContact CA-O 3.26Å; S24-R32 WeakPolarHBondContact CA-O 3.31Å; S24-R32 VanDerWaalsContact CB-O 3.27Å; S24-R32 WeakPolarHBondContact CB-O 3.38Å; S24-Q231 PolarHBondContact OG-NE2 3.5Å; S24-F290 CarbonylContact O-C 3.54Å; S24-F290 VanDerWaalsContact O-CA 3.25Å; S24-F290 WeakPolarHBondContact O-CA 3.25Å; S24-F290 WeakPolarHBondContact O-CB 3.45Å; S24-T291 PolarHBondContact N-O 3.38Å; S24-T291 PolarHBondContact O-N 3.01Å
25S88.1Confident84.4Confident5 Ų523.3 Ų23.34%0.03515%0.146CC..EExtended strand (participates in β ladder)trans-122.7150.1177.853.60000111.4D31 R32 Q231 M287S25-D31 WeakPolarHBondContact O-CA 3.24Å; S25-R32 PolarHBondContact N-O 3.22Å; S25-R32 PolarHBondContact O-N 3.41Å; S25-Q231 PolarHBondContact O-NE2 2.95Å; S25-M287 WeakPolarHBondContact CB-SD 3.4Å
26S84.3Confident84.5Confident8 Ų822 Ų226%0.05614%0.14CC..EExtended strand (participates in β ladder)trans-128.5140.7172.8-1760000110.7D31 M287 I288 S289S26-D31 WeakPolarHBondContact CA-OD1 3.43Å; S26-D31 WeakPolarHBondContact CB-OD1 3.1Å; S26-D31 PolarHBondContact OG-OD1 3.37Å; S26-M287 VanDerWaalsContact O-CG 3.29Å; S26-M287 WeakPolarHBondContact O-CG 3.48Å; S26-I288 PolarHBondContact O-N 2.79Å; S26-S289 WeakPolarHBondContact CB-OG 3.46Å; S26-S289 PolarHBondContact N-O 2.78Å; S26-S289 PolarHBondContact O-N 2.69Å
27G77.1Confident84.5Confident14 Ų1423.1 Ų23.114%0.14415%0.145CC..SBendtrans176.2-176.9-173.300000113.8G29 G30 T286G27-G29 PolarHBondContact O-N 3.34Å; G27-G30 PolarHBondContact O-N 2.91Å; G27-T286 CarbonylContact C-O 3.57Å; G27-T286 VanDerWaalsContact CA-O 3.3Å; G27-T286 WeakPolarHBondContact CA-O 3.49Å
28S69.3Low84.4Confident98 Ų9823.4 Ų23.469%0.68515%0.148SC*.THydrogen-bonded Turntrans-67.3-18.7-179.1550000113.8G30 T286S28-G30 PolarHBondContact O-N 3.07Å; S28-T286 PolarHBondContact N-O 2.93Å
29G65.5Low83.8Confident50 Ų5025.6 Ų25.652%0.51516%0.157SC..THydrogen-bonded Turntrans-81.710.6169.700000115.2G27G27-G29 PolarHBondContact O-N 3.34Å
30G74.2Confident82.6Confident40 Ų4027.8 Ų27.841%0.41217%0.171SC..  trans86.8163.7-176.500000114.1G27 S28G27-G30 PolarHBondContact O-N 2.91Å; S28-G30 PolarHBondContact O-N 3.07Å
31D77.9Confident80.8Confident73 Ų7330.6 Ų30.639%0.3919%0.194SC..  trans-74130.3174.3-75.2-14.1000110.6S25 S26 Q231S25-D31 WeakPolarHBondContact O-CA 3.24Å; S26-D31 WeakPolarHBondContact CA-OD1 3.43Å; S26-D31 WeakPolarHBondContact CB-OD1 3.1Å; S26-D31 PolarHBondContact OG-OD1 3.37Å; D31-Q231 PolarHBondContact OD2-OE1 3.26Å
32R81.1Confident78Confident58 Ų5836.9 Ų36.922%0.21923%0.228CC..EExtended strand (participates in β ladder)trans-136.9138.7-178.2-60.2-168.5-172.1-156.91.9112.4S24 S25 L34 E341S24-R32 CarbonylContact C-O 3.6Å; S24-R32 VanDerWaalsContact CA-O 3.26Å; S24-R32 WeakPolarHBondContact CA-O 3.31Å; S24-R32 VanDerWaalsContact CB-O 3.27Å; S24-R32 WeakPolarHBondContact CB-O 3.38Å; S25-R32 PolarHBondContact N-O 3.22Å; S25-R32 PolarHBondContact O-N 3.41Å; R32-L34 HydrophobicContact CB-CD2 4.21Å; R32-E341 IonicContact NH1-OE1 3.42Å; R32-E341 PolarHBondContact NH1-OE1 3.15Å
33L84.1Confident75.4Confident6 Ų642.5 Ų42.53%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-83.1107.6164.7177.362.9000108.3F22 I214 I217 A222 L226F22-L33 HydrophobicContact CB-CD1 4.17Å; L33-I214 HydrophobicContact CD2-CB 3.85Å; L33-I214 HydrophobicContact CD2-CG2 3.96Å; L33-I214 HydrophobicContact CG-CB 4.26Å; L33-I217 HydrophobicContact CD1-CD1 4.12Å; L33-I217 HydrophobicContact CD2-CD1 3.69Å; L33-I217 HydrophobicContact CD2-CG1 3.76Å; L33-A222 HydrophobicContact CB-CB 4.44Å; L33-A222 HydrophobicContact CD2-CB 3.91Å; L33-L226 HydrophobicContact CB-CD1 4.48Å; L33-L226 HydrophobicContact CB-CD2 4.33Å
34L84.3Confident72.5Confident2 Ų248.6 Ų48.61%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-82.6-41-174.4-61.8-177.6000112.2L23 R32 R333 I336 V337L23-L34 HydrophobicContact CD2-CB 4.23Å; L23-L34 HydrophobicContact CD2-CD1 4.11Å; L23-L34 HydrophobicContact CG-CB 4.36Å; L23-L34 HydrophobicContact CG-CD1 4.34Å; L23-L34 PolarHBondContact O-N 2.92Å; R32-L34 HydrophobicContact CB-CD2 4.21Å; L34-R333 HydrophobicContact CD1-CB 4.23Å; L34-R333 HydrophobicContact CD1-CG 3.97Å; L34-R333 HydrophobicContact CD2-CG 3.92Å; L34-I336 HydrophobicContact CB-CG2 4.27Å; L34-I336 VanDerWaalsContact O-CG2 3.24Å; L34-I336 WeakPolarHBondContact O-CG2 3.4Å; L34-V337 HydrophobicContact CD2-CG2 4Å
35F86.5Confident69.6Low0 Ų053.1 Ų53.10%033%0.327CS..EExtended strand (participates in β ladder)trans-147.2142.4-175.1-177.3-117.1000111.5I21 F22 L23 Q37 V455 C461 L464I21-F35 HydrophobicContact CG2-CE1 4.35Å; F22-F35 VanDerWaalsContact CA-O 3.3Å; F22-F35 WeakPolarHBondContact CA-O 3.25Å; L23-F35 HydrophobicContact CB-CB 4.12Å; L23-F35 PolarHBondContact N-O 3.38Å; L23-F35 PolarHBondContact O-N 3.19Å; L23-F35 VanDerWaalsContact O-N 3.14Å; F35-Q37 HydrophobicContact CE1-CB 3.76Å; F35-Q37 HydrophobicContact CE2-CB 4.38Å; F35-Q37 HydrophobicContact CZ-CB 3.59Å; F35-Q37 HydrophobicContact CZ-CG 4.43Å; F35-V455 HydrophobicContact CE2-CG2 3.78Å; F35-V455 HydrophobicContact CZ-CG2 3.78Å; F35-C461 HydrophobicContact CD2-CB 3.99Å; F35-C461 WeakPolarHBondContact CD2-SG 3.43Å; F35-C461 HydrophobicContact CE1-CB 4.41Å; F35-C461 HydrophobicContact CE2-CB 3.73Å; F35-C461 HydrophobicContact CG-CB 4.44Å; F35-C461 HydrophobicContact CZ-CB 3.94Å; F35-L464 HydrophobicContact CD1-CB 4.33Å; F35-L464 HydrophobicContact CD1-CD1 4.04Å; F35-L464 HydrophobicContact CE1-CB 3.96Å; F35-L464 HydrophobicContact CE1-CD1 4.5Å
36W88.1Confident66.6Low7 Ų760.6 Ų60.63%0.02736%0.359CS..EExtended strand (participates in β ladder)trans-140.1132.4168.1163.6-113.7000107.9G20 I21 F22 I214 I217 E218 L295G20-W36 VanDerWaalsContact CA-CH2 3.49Å; I21-W36 WeakPolarHBondContact O-CA 3.16Å; I21-W36 VanDerWaalsContact O-CE3 3.26Å; F22-W36 HydrophobicContact CB-CE3 4.12Å; W36-I214 HydrophobicContact CB-CD1 3.87Å; W36-I217 HydrophobicContact CB-CD1 4.25Å; W36-I217 HydrophobicContact CB-CG1 4.3Å; W36-I217 HydrophobicContact CD2-CD1 4.05Å; W36-I217 HydrophobicContact CD2-CG1 4.07Å; W36-I217 HydrophobicContact CD2-CG2 3.92Å; W36-I217 HydrophobicContact CE3-CD1 3.9Å; W36-I217 HydrophobicContact CE3-CG1 4.4Å; W36-I217 HydrophobicContact CE3-CG2 4.02Å; W36-I217 HydrophobicContact CG-CD1 4.21Å; W36-I217 HydrophobicContact CG-CG1 4.01Å; W36-I217 HydrophobicContact CH2-CG2 3.9Å; W36-I217 HydrophobicContact CZ2-CG2 3.8Å; W36-I217 HydrophobicContact CZ3-CG2 4Å; W36-E218 HydrophobicContact CZ2-CG 4.01Å; W36-L295 HydrophobicContact CH2-CB 3.88Å; W36-L295 HydrophobicContact CH2-CD2 3.65Å; W36-L295 HydrophobicContact CH2-CG 4.38Å; W36-L295 HydrophobicContact CZ2-CD2 4.35Å; W36-L295 HydrophobicContact CZ3-CB 3.98Å; W36-L295 HydrophobicContact CZ3-CD2 4.22Å
37Q86.8Confident63.7Low23 Ų2371 Ų7111%0.10740%0.398CS..EExtended strand (participates in β ladder)trans-131.9113.3171.3173.468.282.300108.4G20 I21 F35 K465 L468G20-Q37 CarbonylContact C-O 3.51Å; G20-Q37 WeakPolarHBondContact CA-O 3.48Å; I21-Q37 HydrophobicContact CG2-CB 4.18Å; I21-Q37 PolarHBondContact N-O 3.07Å; I21-Q37 PolarHBondContact O-N 3.22Å; F35-Q37 HydrophobicContact CE1-CB 3.76Å; F35-Q37 HydrophobicContact CE2-CB 4.38Å; F35-Q37 HydrophobicContact CZ-CB 3.59Å; F35-Q37 HydrophobicContact CZ-CG 4.43Å; Q37-K465 HydrophobicContact CG-CB 4.41Å; Q37-K465 HydrophobicContact CG-CG 4.13Å; Q37-L468 HydrophobicContact CB-CD2 4.36Å; Q37-L468 HydrophobicContact CG-CD2 3.8Å; Q37-L468 WeakPolarHBondContact O-CD2 3.37Å
38S84.8Confident61.2Low18 Ų1875.5 Ų75.513%0.12642%0.419CS..EExtended strand (participates in β ladder)trans-74.3150.3170-177.30000111R19 H40R19-S38 CarbonylContact O-C 3.56Å; R19-S38 WeakPolarHBondContact O-CA 3.38Å; R19-S38 PolarHBondContact O-OG 3.15Å; S38-H40 PolarHBondContact OG-NE2 3.14Å
39F80.3Confident59.2Low47 Ų4777 Ų7721%0.20643%0.426CS..  trans-101.4108.4170179.5-102.2000110.3L17 R19 A41 L468 C472L17-F39 HydrophobicContact CD1-CE1 4.49Å; R19-F39 PolarHBondContact O-N 3.33Å; F39-A41 HydrophobicContact CE1-CB 4.18Å; F39-L468 HydrophobicContact CB-CD2 4.18Å; F39-L468 HydrophobicContact CB-CG 4.45Å; F39-C472 HydrophobicContact CD1-CB 4.24Å; F39-C472 HydrophobicContact CD2-CB 3.8Å; F39-C472 HydrophobicContact CE1-CB 3.89Å; F39-C472 HydrophobicContact CE2-CB 3.42Å; F39-C472 VanDerWaalsContact CE2-CB 3.42Å; F39-C472 HydrophobicContact CG-CB 4.21Å; F39-C472 HydrophobicContact CZ-CB 3.47Å; F39-C472 VanDerWaalsContact CZ-CB 3.47Å
40H64.3Low57.3Low133 Ų13382.7 Ų82.762%0.61644%0.437SS*.  trans-101.1117.9173.8-64.4-88.7000110.3S38 N42S38-H40 PolarHBondContact OG-NE2 3.14Å; H40-N42 PolarHBondContact O-N 3.42Å; H40-N42 VanDerWaalsContact O-N 3.12Å
41A52.4Low55.2Low58 Ų5890.9 Ų90.948%0.47946%0.461SS..G310 helixtrans-70.3-6.4-171.600000115.9F39F39-A41 HydrophobicContact CE1-CB 4.18Å
42N35.9Very low52.7Low133 Ų13391 Ų9171%0.71148%0.48SS*.G310 helixtrans-91.1-2.6-165.8-72.4-1.9000116.1H40 T44 S45H40-N42 PolarHBondContact O-N 3.42Å; H40-N42 VanDerWaalsContact O-N 3.12Å; N42-T44 PolarHBondContact O-N 3.01Å; N42-T44 VanDerWaalsContact O-N 3.12Å; N42-S45 PolarHBondContact O-N 3.33Å; N42-S45 PolarHBondContact O-OG 3.49Å
43D35.9Very low50.1Low119 Ų11998.7 Ų98.764%0.63651%0.511SS*.G310 helixtrans-71.1-4.3-175.1-108.4-26.9000114.7S45 K46D43-S45 PolarHBondContact O-N 3.28Å; D43-K46 IonicContact OD1-NZ 3.1Å
44T32.8Very low47.4Very low128 Ų128104.7 Ų104.779%0.78555%0.552SS**G310 helixtrans-68-11.8173.7450000113.9N42 K46N42-T44 PolarHBondContact O-N 3.01Å; N42-T44 VanDerWaalsContact O-N 3.12Å; T44-K46 VanDerWaalsContact C-N 3.32Å; T44-K46 PolarHBondContact O-N 3.39Å
45S27Very low44.6Very low96 Ų96110.3 Ų110.367%0.67159%0.586SS**G310 helixtrans-77-2.1-173.955.10000116.2N42 D43N42-S45 PolarHBondContact O-N 3.33Å; N42-S45 PolarHBondContact O-OG 3.49Å; D43-S45 PolarHBondContact O-N 3.28Å
46K25.4Very low41.9Very low162 Ų162121.6 Ų121.670%0.70463%0.629SS**G310 helixtrans-93.6-1.7-173.4-81.8173.6-178.8156.80116.9D43 T44 N48D43-K46 IonicContact OD1-NZ 3.1Å; T44-K46 VanDerWaalsContact C-N 3.32Å; T44-K46 PolarHBondContact O-N 3.39Å; K46-N48 PolarHBondContact O-N 3.45Å
47Y24.8Very low38.9Very low227 Ų227127.5 Ų127.589%0.8966%0.661SS**  trans-83.591.3173-104.8-87000112.3P49Y47-P49 WeakPolarHBondContact O-CD 3.48Å
48N24.2Very low36.3Very low107 Ų107133.8 Ų133.857%0.57270%0.695SS**  trans-76.8120.1174.2-115.8-92.6000111K46 K50K46-N48 PolarHBondContact O-N 3.45Å; N48-K50 HydrophobicContact CB-CG 4.28Å; N48-K50 PolarHBondContact O-N 3.3Å; N48-K50 VanDerWaalsContact OD1-CE 3.27Å; N48-K50 WeakPolarHBondContact OD1-CE 3.22Å
49P27.5Very low33.5Very low129 Ų129140 Ų14084%0.83873%0.727SS**  trans-78.155.8174.333.2-35.7000112.2Y47 K51Y47-P49 WeakPolarHBondContact O-CD 3.48Å; P49-K51 PolarHBondContact O-N 3.32Å
50K25.3Very low31Very low170 Ų170144 Ų14474%0.73976%0.759SS**  trans-8978.4-178.5-79.2-173.5176-1800113N48N48-K50 HydrophobicContact CB-CG 4.28Å; N48-K50 PolarHBondContact O-N 3.3Å; N48-K50 VanDerWaalsContact OD1-CE 3.27Å; N48-K50 WeakPolarHBondContact OD1-CE 3.22Å
51K28.9Very low29.1Very low212 Ų212143 Ų14392%0.92277%0.768SS**  trans167.9125.4142.6-95.4160.7-177.4-179.10110.4P49P49-K51 PolarHBondContact O-N 3.32Å
52G26.7Very low28.1Very low77 Ų77146.5 Ų146.579%0.79479%0.788SS**  trans168.250.1-179.800000113.6C54G52-C54 PolarHBondContact O-N 3.49Å
53Y26.4Very low27.8Very low218 Ų218143.7 Ų143.786%0.85579%0.791SS**  trans-68.7123.2175.3-89.2-93.8000110.9T55Y53-T55 HydrophobicContact CD1-CG2 4.37Å
54C27.4Very low27.4Very low133 Ų133144.4 Ų144.490%0.89980%0.799SS**  trans-147.378.1154.7-107.80000109G52G52-C54 PolarHBondContact O-N 3.49Å
55T25Very low27.2Very low119 Ų119147.7 Ų147.773%0.7381%0.805SS**  trans-76.2122.1173.247.10000110.5Y53Y53-T55 HydrophobicContact CD1-CG2 4.37Å
56R29.6Very low27.1Very low238 Ų238148.5 Ų148.590%0.89881%0.807SS**  trans-149136.7148.8-156.2164.1-1771460.7109.8
57N25.4Very low27.4Very low131 Ų131147.5 Ų147.570%0.70181%0.814SS**  trans-74.2161.9179-47.4-12.9000109.6
58D32.1Very low27.5Very low154 Ų154143.1 Ų143.182%0.82481%0.806SS**  -165.4158.9100.5-81.3-23.9000109.4
59D26.2Very low27.8Very low150 Ų150145 Ų14580%0.80282%0.816SS**  trans-80.8150.5-167.7-57.3-81000114.4
60C28.3Very low27.8Very low130 Ų130147 Ų14788%0.87881%0.814SS**  -167.6149123.1-980000112.1
61S25.1Very low28.1Very low113 Ų113147.9 Ų147.979%0.7982%0.821SS**  trans-120.4179.4179.5-69.60000111.2
62S30.2Very low28.2Very low131 Ų131143.2 Ų143.292%0.91682%0.815SS**  trans78.9152.9-178.781.10000115.4
63G30.3Very low28.3Very low74 Ų74145.4 Ų145.476%0.76381%0.813SS**  cis-129.3160.43.600000114
64V26.4Very low28.4Very low134 Ų134142.6 Ų142.681%0.81281%0.812SS**  trans-112.8134.2169.2171.20000107.2
65E28.2Very low28.5Very low196 Ų196140.6 Ų140.692%0.91680%0.799SS**  trans-147.5130.9158.8-132.9162.5-133.200111.2
66T25.4Very low28.9Very low114 Ų114143.3 Ų143.370%0.69980%0.801SS**  trans-110.7142.4-179.642.70000110
67V32Very low28.8Very low141 Ų141138.2 Ų138.286%0.85579%0.792SS**  trans-128.3120.9166.6-177.60000108.8
68N26.2Very low29.2Very low134 Ų134137.9 Ų137.972%0.71780%0.796SS**  trans-93.8155.9172.4-70-47.5000110.5
69N31.3Very low29.1Very low147 Ų147137.5 Ų137.579%0.78680%0.8SS**  trans-168.9111.5137.9-86-28.1000105.7
70Q28.6Very low29.1Very low171 Ų171135.4 Ų135.480%0.79980%0.797SS**  82.2147.969.2-79.1-159.7-19.300114.1
71E31.5Very low29.2Very low189 Ų189136 Ų13688%0.88380%0.797SS**  trans76.8138.7-174.6-56.5-169.9165.400116.7
72S31.1Very low29.2Very low113 Ų113139.5 Ų139.579%0.7980%0.8SS**  cis-150157.9-2056.10000113.5
73T27.1Very low29.1Very low123 Ų123139.1 Ų139.176%0.75580%0.798SS**  trans-65145.3-173.250.60000116.6
74L30.1Very low28.8Very low159 Ų159140.4 Ų140.483%0.83280%0.795SS**  trans161.3160.4131.3-106.578.9000109.8
75S29.5Very low28.8Very low91 Ų91140.1 Ų140.164%0.63679%0.794SS**  -167.6144.3-50.556.20000110.8
76K31.8Very low28.8Very low176 Ų176136.7 Ų136.777%0.76579%0.786SS**  trans75.3124155-75-173.5170.1-168.10121.9
77D27.9Very low28.8Very low132 Ų132139.5 Ų139.571%0.70679%0.791SS**  69.9121128.6-49.6-19.3000120.9
78P34.1Very low28.7Very low123 Ų123137.6 Ų137.680%0.79979%0.79SS**  trans-93.1157.417237.6-33.8000112.7
79T30.4Very low28.6Very low146 Ų146138.9 Ų138.990%0.89680%0.796SS**  trans-150.9152.9159.110.50000111.9
80S25.4Very low28.4Very low107 Ų107136.2 Ų136.275%0.74879%0.794SS**  trans-82.2145.8-177.950.40000113.4
81V31.7Very low28.3Very low143 Ų143134 Ų13487%0.86779%0.794SS**  trans-132.6128.2153.6179.70000108.4
82E23.4Very low27.8Very low186 Ų186130 Ų13087%0.86979%0.788SS**  trans-83.3141.9172.8-58.5170.2114.600110.2
83S28.8Very low27.8Very low123 Ų123130.5 Ų130.586%0.8679%0.788SS**  trans-149.7131.8152.1550000110.5
84S23.8Very low27.6Very low100 Ų100134.3 Ų134.370%0.69979%0.794SS**  trans-110.3177.8180580000110.4
85T26.7Very low27.6Very low129 Ų129134.3 Ų134.379%0.79179%0.794SS**  trans70.8155.7179800000114.3
86T28.9Very low27.3Very low124 Ų124139.1 Ų139.176%0.76180%0.803SS**  cis-138.6168.13.9-35.10000110.8
87E25.4Very low27.1Very low172 Ų172138.1 Ų138.180%0.80481%0.807SS**  trans-58.9147.7172.1-55.2174.2123.700113
88A28.3Very low26.9Very low101 Ų101138.1 Ų138.184%0.83581%0.811SS**  trans-130.981.6172.200000111A90A88-A90 PolarHBondContact O-N 3.01Å
89I24.5Very low26.6Very low162 Ų162138 Ų13883%0.83181%0.813SS**  trans-78.5113.7168.8-62172.2000108.3
90A27.9Very low26.4Very low90 Ų90140.2 Ų140.274%0.74481%0.813SS**  trans-128.4140.2172.800000110.9A88A88-A90 PolarHBondContact O-N 3.01Å
91P26.3Very low26.5Very low125 Ų125143.7 Ų143.781%0.81282%0.822SS**  trans-98.2165.7-159.738-37.7000115.5
92S21.5Very low26.2Very low106 Ų106148.4 Ų148.474%0.74182%0.824SS**  trans-66136.3177.5-34.80000113.4K94S92-K94 PolarHBondContact O-N 3.24Å
93P29.5Very low26.3Very low122 Ų122143 Ų14379%0.79282%0.817SS**  trans-74.4107.4170.729.9-33000111L95P93-L95 PolarHBondContact O-N 3.43Å
94K24.1Very low26.3Very low203 Ų203146.5 Ų146.588%0.88382%0.82SS**  trans-81.782.6169.5-74.2-179.4179.1171.40110.8S92 K96S92-K94 PolarHBondContact O-N 3.24Å; K94-K96 PolarHBondContact O-N 2.84Å
95L28.7Very low26.4Very low159 Ų159150.7 Ų150.783%0.83283%0.825SS**  trans-83.8111.2162.6-119.874.7000110.1P93P93-L95 PolarHBondContact O-N 3.43Å
96K23.3Very low26.5Very low192 Ų192150.5 Ų150.584%0.83582%0.82SS**  trans-81.1125.9157.9-71.7179.5177.4179.10107.7K94K94-K96 PolarHBondContact O-N 2.84Å
97N28.4Very low26.4Very low156 Ų156150.9 Ų150.983%0.83483%0.828SS**  trans-147.6147.3148-106.8-20.7000109.4
98T23.9Very low26.7Very low131 Ų131148.1 Ų148.180%0.80482%0.815SS**  trans-128.8113.3-162.149.40000112.1
99S28.5Very low26.8Very low120 Ų120148.1 Ų148.184%0.83980%0.801SS**  trans-150.8138.7166.250.10000110.3
100H24.5Very low27.3Very low193 Ų193145.6 Ų145.689%0.89480%0.795SS**  trans-89.8122.4-168.3-64.6-100.6000113.4
101I29Very low27.6Very low181 Ų181145.9 Ų145.993%0.92878%0.779SS**  trans-130.6160.1152.5-61.5-174.3000108.3
102R24.9Very low27.8Very low242 Ų242142.2 Ų142.291%0.91376%0.76SS**  trans-132119.9-142.5-178.7-171.8-173.6-169.33.7114.2
103G25Very low28.4Very low71 Ų71139.1 Ų139.173%0.73273%0.734SS**  trans88.6156.1172.100000113.8
104H28.8Very low28.6Very low197 Ų197135.5 Ų135.591%0.91271%0.712SS**  cis-128.6170.14.4-121.5-109.8000112
105K26.5Very low29Very low188 Ų188132.2 Ų132.282%0.81770%0.703SS**  trans-87.3138177.7-59.6176.9-178.4178.80111.2
106N29.1Very low29.3Very low126 Ų126127.7 Ų127.767%0.67468%0.68SS**  -176.7101.4123.8-97.819.4000109.6E108N106-E108 VanDerWaalsContact C-N 3.26Å; N106-E108 PolarHBondContact ND2-OE1 2.86Å; N106-E108 PolarHBondContact O-N 3.03Å; N106-E108 VanDerWaalsContact O-N 3.17Å
107S26.3Very low29.7Very low132 Ų132120.7 Ų120.792%0.92365%0.654SS**  trans-87.865.1174.159.30000110.4
108E32.2Very low29.8Very low114 Ų114119.5 Ų119.553%0.53364%0.644SS.*  trans-84.6152172.6-71.1174.9-159.800110.1N106N106-E108 VanDerWaalsContact C-N 3.26Å; N106-E108 PolarHBondContact ND2-OE1 2.86Å; N106-E108 PolarHBondContact O-N 3.03Å; N106-E108 VanDerWaalsContact O-N 3.17Å
109N29.5Very low30.2Very low101 Ų101122.5 Ų122.554%0.5464%0.641SS.*  trans-61.1127.2-174.4167.611.1000110.6F111 A112N109-F111 PolarHBondContact O-N 2.94Å; N109-F111 PolarHBondContact OD1-N 2.8Å; N109-A112 HydrophobicContact CB-CB 4.02Å; N109-A112 WeakPolarHBondContact O-CB 3.27Å; N109-A112 PolarHBondContact O-N 3.24Å
110P34.8Very low30.3Very low109 Ų109121.2 Ų121.271%0.70863%0.628SS**THydrogen-bonded Turntrans-64.61.1-178.127.1-36.3000115.1
111F35.3Very low30.6Very low96 Ų96116.5 Ų116.542%0.42161%0.607SS.*THydrogen-bonded Turntrans-115.37.2171.6-57.3-75.9000113.9N109 L113N109-F111 PolarHBondContact O-N 2.94Å; N109-F111 PolarHBondContact OD1-N 2.8Å; F111-L113 PolarHBondContact O-N 3.03Å
112A29.5Very low30.5Very low48 Ų48116.7 Ų116.740%0.39760%0.602SS.*  trans-87.8101.9-176.800000112.9N109 S114N109-A112 HydrophobicContact CB-CB 4.02Å; N109-A112 WeakPolarHBondContact O-CB 3.27Å; N109-A112 PolarHBondContact O-N 3.24Å; A112-S114 VanDerWaalsContact C-N 3.29Å; A112-S114 PolarHBondContact O-N 3.14Å; A112-S114 VanDerWaalsContact O-N 3.16Å
113L33.8Very low30.6Very low40 Ų40113.9 Ų113.921%0.20960%0.596CS.*  trans-89.749.9-178.1-69.2159.1000113F111 W517 Y586F111-L113 PolarHBondContact O-N 3.03Å; L113-W517 HydrophobicContact CD2-CH2 3.8Å; L113-W517 HydrophobicContact CD2-CZ2 4.02Å; L113-Y586 WeakPolarHBondContact CD1-OH 3.18Å; L113-Y586 HydrophobicContact CD2-CE1 4.48Å; L113-Y586 HydrophobicContact CD2-CE2 3.73Å; L113-Y586 WeakPolarHBondContact CD2-OH 3.22Å
114S34.3Very low30.6Very low47 Ų47118.1 Ų118.133%0.32960%0.602SS.*Hα-helixtrans-75.2-38.6179.448.30000113.3A112 I116A112-S114 VanDerWaalsContact C-N 3.29Å; A112-S114 PolarHBondContact O-N 3.14Å; A112-S114 VanDerWaalsContact O-N 3.16Å; S114-I116 VanDerWaalsContact C-N 3.27Å; S114-I116 PolarHBondContact O-N 2.93Å
115L32.3Very low30.4Very low133 Ų133117.7 Ų117.770%0.69660%0.601SS**Hα-helixtrans-69.9-4.5-160.9-69.7172.4000117.4
116I36.1Very low30.4Very low65 Ų65114 Ų11433%0.33360%0.598SS.*Hα-helixtrans-125.5-48.4-179.9-60.4-179.1000112.5S114 E118 R119S114-I116 VanDerWaalsContact C-N 3.27Å; S114-I116 PolarHBondContact O-N 2.93Å; I116-E118 PolarHBondContact O-N 3.5Å; I116-E118 VanDerWaalsContact O-N 3.15Å; I116-R119 PolarHBondContact O-N 3.42Å
117S31.5Very low30.4Very low44 Ų44113.6 Ų113.631%0.30861%0.605SS.*Hα-helixtrans-67.2-17.2-171.2-61.10000115.2
118E31.2Very low30.3Very low132 Ų132117.6 Ų117.662%0.61761%0.607SS**THydrogen-bonded Turntrans-96.5-19.1179.1-67.3179173.300113I116I116-E118 PolarHBondContact O-N 3.5Å; I116-E118 VanDerWaalsContact O-N 3.15Å
119R30.5Very low30.1Very low194 Ų194115.5 Ų115.573%0.73262%0.616SS**G310 helixtrans-83.1-20.5175.6-83.6-177.4166.9175.6-3.4114I116 M121I116-R119 PolarHBondContact O-N 3.42Å; R119-M121 VanDerWaalsContact C-N 3.26Å; R119-M121 PolarHBondContact O-N 3.05Å
120T31.3Very low30Very low92 Ų92118.7 Ų118.756%0.56463%0.633SS**G310 helixtrans-83.813.6-176.453.50000114.9
121M30.2Very low29.6Very low94 Ų94117.1 Ų117.146%0.46364%0.636SS.*G310 helixtrans-121.14175.5-74.2-177.5164.500114.1R119 P486R119-M121 VanDerWaalsContact C-N 3.26Å; R119-M121 PolarHBondContact O-N 3.05Å; M121-P486 HydrophobicContact CE-CG 3.84Å
122F28.4Very low29.3Very low185 Ų185118 Ų11881%0.81165%0.652SS**SBendtrans-12054.2172.9-78.9-76.3000111.9
123F26Very low29Very low183 Ų183123 Ų12380%0.80367%0.67SS**  trans-135.573166.8-75.7-76.1000109.4
124N25.8Very low28.8Very low160 Ų160128 Ų12886%0.85670%0.702SS**  trans-129.2157.8166.9-125.715.1000108.9
125E23.9Very low28.4Very low189 Ų189129.4 Ų129.488%0.88373%0.725SS**  trans-68.2135.3-159-56.3174.7121.800115
126S26.1Very low28.1Very low109 Ų109126.6 Ų126.676%0.76273%0.728SS**  trans-157.2148.2147.453.20000112
127S29.3Very low27.7Very low118 Ų118131.2 Ų131.283%0.82575%0.752SS**  trans67.474.5164.5-55.10000118.8
128F24.5Very low27.4Very low217 Ų217134.9 Ų134.995%0.95277%0.769SS**  trans-60.2146.6145.7-92.4-101.3000110.5
129G27Very low27.2Very low70 Ų70135.7 Ų135.772%0.72277%0.772SS**  trans-169.151.7-173.200000118.2
130N28.2Very low27Very low168 Ų168132.7 Ų132.790%0.89877%0.771SS**  trans29.6114.9156.3-61.1-15.6000120.8
131G25.6Very low26.7Very low75 Ų75138.1 Ų138.177%0.77379%0.787SS**  trans178.5120.8162.300000113.6
132P29Very low26.5Very low116 Ų116142.3 Ų142.375%0.75381%0.807SS**  trans-104145.5-165.45.516.1000116.5
133I24.9Very low26.3Very low153 Ų153137.3 Ų137.379%0.78581%0.808SS**  trans46.6111.1134-48.9164.2000118.1
134T28.2Very low26.3Very low143 Ų143135 Ų13588%0.87781%0.814SS**  -173.8142.3120.4170000114.1
135G27Very low26.4Very low78 Ų78130.9 Ų130.980%0.80481%0.81SS**  trans71.279.3131.500000122.2
136G25.9Very low26.5Very low74 Ų74128.8 Ų128.876%0.76381%0.805SS**  87.7137.411200000122.6
137L27.9Very low26.6Very low161 Ų161134 Ų13484%0.84381%0.808SS**  trans72.596.4141.2-59.9173.6000121.4
138N25Very low26.5Very low122 Ų122134.1 Ų134.165%0.65280%0.804SS**  62.7114.7121.5-81.2-31000122.4
139Q27Very low26.6Very low149 Ų149130.7 Ų130.770%0.69680%0.795SS**  77.6129.3124.8-68.3-176.633.400121.3
140N24.9Very low26.6Very low130 Ų130133.2 Ų133.270%0.69579%0.792SS**  trans65.5117.7152.6-49.1-25.8000117.5
141F26.8Very low26.6Very low207 Ų207132 Ų13291%0.90879%0.786SS**  -164158.6105.2-120.1-89.3000112.1
142M24.7Very low26.6Very low181 Ų181133.9 Ų133.989%0.89279%0.785SS**  trans-93.5151.1169.9-67.3142.851.800109.9
143G25.4Very low26.6Very low80 Ų80133.7 Ų133.783%0.82578%0.784SS**  trans156.1115.5161.700000116.8
144S25.6Very low26.8Very low134 Ų134132.4 Ų132.494%0.93778%0.783SS**  trans-45.9158.3169.5-40.60000116.6
145G27.6Very low26.6Very low75 Ų75133.4 Ų133.477%0.77378%0.782SS**  trans154.590.114800000118.9
146D26.1Very low26.5Very low144 Ų144134.9 Ų134.977%0.7778%0.779SS**  trans-23.8131.4160.4-50.1-21.9000118.5
147R28.8Very low26.4Very low219 Ų219137.5 Ų137.583%0.82679%0.785SS**  165104.2114.1-88.8156.6-163.7-111.8-1.2116.2
148T27Very low26.3Very low120 Ų120136.4 Ų136.474%0.73678%0.78SS**  40.7125124.264.40000122.2
149L26.7Very low26.5Very low145 Ų145138.8 Ų138.876%0.75979%0.791SS**  144.4117.6124.8-76.5168.8000115.7
150N26Very low26.4Very low124 Ų124138.2 Ų138.266%0.66379%0.793SS**  trans86.7132.9134.4-64-3.2000124.3
151N27.6Very low26.4Very low143 Ų143137.2 Ų137.277%0.76580%0.796SS**  trans71.7139.8151.5-60.80.2000118.2
152C25.6Very low26.3Very low113 Ų113132.4 Ų132.476%0.76479%0.788SS**  cis-162-177.2-11.1-116.40000109.8
153P31Very low26.3Very low113 Ų113131 Ų13173%0.73478%0.784SS**  -109.9170.4-120.342.6-37.4000116.8
154T28Very low26.3Very low125 Ų125132.8 Ų132.877%0.76778%0.782SS**  trans-172.2124.2132.5-760000111.2
155I24.5Very low26.1Very low164 Ų164131.5 Ų131.584%0.84177%0.769SS**  trans21.8102.1159.3-50175.2000117.8
156C24.3Very low25.9Very low110 Ų110134.5 Ų134.574%0.74377%0.772SS**  trans-149.7128.4157.8-86.40000109.4N158C156-N158 PolarHBondContact O-N 2.76Å
157S24.2Very low25.9Very low128 Ų128132.5 Ų132.590%0.89577%0.769SS**  trans-82.745.2177.642.60000113.3I159S157-I159 PolarHBondContact O-N 3.46Å
158N26.4Very low25.6Very low139 Ų139127 Ų12774%0.74376%0.764SS**  trans-84.297.9174.2-100.9-32.4000110.8C156 N160C156-N158 PolarHBondContact O-N 2.76Å; N158-N160 PolarHBondContact O-N 2.91Å; N158-N160 VanDerWaalsContact O-N 3.16Å
159I29Very low25.6Very low171 Ų171129.1 Ų129.188%0.87777%0.77SS**  trans-80.197.1170.1-59.7-178.1000109.1S157S157-I159 PolarHBondContact O-N 3.46Å
160N24Very low25.4Very low138 Ų138126.6 Ų126.674%0.73877%0.765SS**  trans-110.1141.1176.2-139.2-13.3000108.7N158N158-N160 PolarHBondContact O-N 2.91Å; N158-N160 VanDerWaalsContact O-N 3.16Å
161S24.8Very low25.8Very low109 Ų109126.9 Ų126.976%0.76277%0.774SS**  trans65173173.880.20000115.3
162S26Very low25.9Very low106 Ų106125.2 Ų125.274%0.74177%0.773SS**  cis-153.9-172.12260.90000114.4
163L23Very low26Very low152 Ų152127 Ų12780%0.79678%0.775SS**  trans-80.6140.3-172.4-75.457.5000113.7
164C25.3Very low26.2Very low117 Ų117127.4 Ų127.479%0.79178%0.778SS**  trans-158.6115.5134.843.60000107.8
165T23Very low26.3Very low107 Ų107125.9 Ų125.966%0.65678%0.778SS**  50.5112.458.167.70000114.6
166T22.9Very low26.4Very low138 Ų138122.2 Ų122.285%0.84778%0.78SS**  trans58.5138.1148.652.90000117.4
167S24.9Very low26.6Very low102 Ų102120.3 Ų120.371%0.71378%0.779SS**  cis-158.9176.122.9490000111.2
168S24.1Very low26.8Very low103 Ų103121.9 Ų121.972%0.7278%0.776SS**  trans-53.9136.9154.650.90000111.6
169L25.9Very low26.7Very low165 Ų165121.6 Ų121.686%0.86478%0.779SS**  -177.9154.4126.4-96.6159.2000111.4
170S23.3Very low26.5Very low92 Ų92117.7 Ų117.764%0.64377%0.772SS**PPolyproline II helixtrans-73.6153.7-173.552.50000115.3
171P33.3Very low26.6Very low130 Ų130118.4 Ų118.484%0.84478%0.776SS**PPolyproline II helix-87.4129.212933.2-27.2000109.7
172S30.7Very low26.8Very low107 Ų107121.3 Ų121.375%0.74878%0.782SS**PPolyproline II helixtrans-84147.8178.952.60000112.9
173N28.1Very low26.9Very low152 Ų152120.6 Ų120.681%0.81378%0.777SS**  trans-27.4157154.3-80.7-14.7000115.5
174P35.1Very low27Very low121 Ų121120.4 Ų120.479%0.78678%0.777SS**  cis-139.9-168.833.548-30.7000113.7
175A29Very low27.3Very low93 Ų93119.9 Ų119.977%0.76977%0.772SS**  cis-151.8142.52.700000111.3
176G27.9Very low27.5Very low86 Ų86121.5 Ų121.589%0.88778%0.777SS**  trans73.6130.8162.100000117.1
177G27.1Very low27.7Very low70 Ų70121.4 Ų121.472%0.72277%0.77SS**  cis176.3168.2-6.800000112.3
178I29.1Very low27.7Very low162 Ų162123 Ų12383%0.83178%0.775SS**  trans60.165.9166.8-42178.5000114.7
179T24.8Very low27.8Very low133 Ų133125.6 Ų125.682%0.81678%0.78SS**  63.982.292.167.10000117.5
180A25Very low27.9Very low88 Ų88120.6 Ų120.673%0.72777%0.768SS**  trans-170.2157.9141.400000111.5
181N24.4Very low28Very low153 Ų153120.9 Ų120.982%0.81877%0.77SS**  trans67.2114.2164.1-58.1-22.4000120.4
182L29.1Very low27.6Very low170 Ų170122.9 Ų122.989%0.8977%0.773SS**  trans-149.194.5143.5-95.3129.4000106.2
183S29.8Very low27.3Very low92 Ų92127.7 Ų127.764%0.64378%0.776SS**  85.857.460.780.80000115.2
184N25.2Very low27.2Very low147 Ų147126 Ų12679%0.78678%0.776SS**  trans-81.2117.8140.4-100.60.1000107.2N186N184-N186 PolarHBondContact O-N 3.09Å
185P30.6Very low26.8Very low107 Ų107126 Ų12670%0.69577%0.774SS**  trans-78.758.8175.533.7-35.4000111.8I187P185-I187 HydrophobicContact CB-CG1 4.25Å; P185-I187 PolarHBondContact O-N 3.12Å
186N26.8Very low26.6Very low140 Ų140128.1 Ų128.175%0.74977%0.772SS**  trans-69.783.7150.2-85.4-4.1000106.5N184 V188N184-N186 PolarHBondContact O-N 3.09Å; N186-V188 PolarHBondContact O-N 3.35Å
187I27.4Very low26.5Very low136 Ų136130.2 Ų130.270%0.69777%0.771SS**  trans-75.280.7175.7-58.2-177.1000108.2P185 L189P185-I187 HydrophobicContact CB-CG1 4.25Å; P185-I187 PolarHBondContact O-N 3.12Å; I187-L189 HydrophobicContact CG2-CB 4.2Å; I187-L189 PolarHBondContact O-N 2.89Å
188V24.7Very low26.5Very low135 Ų135131.1 Ų131.182%0.81877%0.766SS**  trans-82.678.2160.4-1770000107.1N186N186-V188 PolarHBondContact O-N 3.35Å
189L27.4Very low26.5Very low158 Ų158131.1 Ų131.183%0.82777%0.766SS**  trans-117.7137.4156.1-102.877000106.4I187I187-L189 HydrophobicContact CG2-CB 4.2Å; I187-L189 PolarHBondContact O-N 2.89Å
190G26.6Very low26.5Very low60 Ų60134.2 Ų134.262%0.61977%0.772SS**  cis152.7124.42.300000107.2L192G190-L192 PolarHBondContact O-N 3.19Å; G190-L192 VanDerWaalsContact O-N 3.12Å
191S24.9Very low26.7Very low99 Ų99135.1 Ų135.169%0.69277%0.768SS**  trans-62.3118.4-171.9-176.80000111.2Y193S191-Y193 WeakPolarHBondContact OG-CD2 3.27Å; S191-Y193 WeakPolarHBondContact OG-CE2 3.23Å
192L25.8Very low26.8Very low172 Ų172132.6 Ų132.690%0.90176%0.76SS**  trans-119.191.7163.3-78.5174.4000108.2G190 S194G190-L192 PolarHBondContact O-N 3.19Å; G190-L192 VanDerWaalsContact O-N 3.12Å; L192-S194 PolarHBondContact O-N 3.26Å
193Y24.7Very low26.6Very low208 Ų208130.5 Ų130.582%0.81676%0.76SS**  trans-63123.5159.5-76.2-95.6000109S191S191-Y193 WeakPolarHBondContact OG-CD2 3.27Å; S191-Y193 WeakPolarHBondContact OG-CE2 3.23Å
194S26.5Very low26.7Very low115 Ų115130 Ų13080%0.80475%0.753SS**  trans-142.2111.3146.4-167.10000107.9L192L192-S194 PolarHBondContact O-N 3.26Å
195T25.5Very low27.4Very low122 Ų122132.5 Ų132.575%0.74876%0.76SS**  trans-79.9121.9178.8480000110
196D26.1Very low27.9Very low137 Ų137130.7 Ų130.773%0.73375%0.75SS**  trans-139.593.9163.4-127.8-20.5000109.8S198D196-S198 PolarHBondContact O-N 2.81Å
197P25.7Very low28.9Very low131 Ų131126 Ų12685%0.85173%0.727SS**  trans-84.155.9-170.735.3-36.4000112.2
198S26.7Very low29.9Very low89 Ų89124.2 Ų124.262%0.62272%0.718SS**  trans-137.629.4-173.172.40000115.6D196D196-S198 PolarHBondContact O-N 2.81Å
199L28.3Very low31.3Very low161 Ų161119 Ų11984%0.84369%0.685SS**  trans-129.289.8165.8-75.6176.6000110.8V201L199-V201 PolarHBondContact O-N 3.1Å
200Q25.5Very low32.3Very low198 Ų198112.6 Ų112.693%0.92566%0.658SS**  trans-7291.9166.7-72.1-179.2-53.900109.4P202Q200-P202 WeakPolarHBondContact O-CD 3.13Å
201V29Very low33.2Very low108 Ų108115.2 Ų115.266%0.65566%0.658SS**  trans-68.6122.9166.6-179.10000108.1L199 S203L199-V201 PolarHBondContact O-N 3.1Å; V201-S203 PolarHBondContact O-N 2.87Å
202P26.8Very low34.3Very low100 Ų100116.8 Ų116.865%0.64966%0.657SS**  trans-62.7133.6176.4-22.434.3000111.1Q200 T204Q200-P202 WeakPolarHBondContact O-CD 3.13Å; P202-T204 PolarHBondContact O-N 3.16Å
203S25.4Very low35.9Very low126 Ų126109 Ų10988%0.88162%0.619SS**  trans-77.766.9175.559.70000111.2V201V201-S203 PolarHBondContact O-N 2.87Å
204T31.5Very low37.7Very low82 Ų8299.3 Ų99.350%0.50358%0.581SS.*  trans-94.4114.9175.9-19.10000109.3P202 S206P202-T204 PolarHBondContact O-N 3.16Å; T204-S206 PolarHBondContact O-N 3.43Å; T204-S206 VanDerWaalsContact O-N 3.15Å
205E38.7Very low39.4Very low198 Ų19895.8 Ų95.893%0.92556%0.556SS**  trans-74.81.1-175.1-59.1-172.2129.200114.1
206S42.3Very low41.4Very low70 Ų7092.1 Ų92.149%0.4953%0.532SS..SBendtrans-104.5137.3-179.152.30000112.8T204 L208T204-S206 PolarHBondContact O-N 3.43Å; T204-S206 VanDerWaalsContact O-N 3.15Å; S206-L208 PolarHBondContact O-N 2.95Å
207P47.2Very low43.7Very low41 Ų4185.6 Ų85.627%0.26650%0.497SS..  trans-75.4108.9176.128.7-31.3000110.7I214 L451P207-I214 HydrophobicContact CB-CG2 4.04Å; P207-L451 HydrophobicContact CG-CD1 3.69Å
208L49Very low45.8Very low99 Ų9982.5 Ų82.552%0.51847%0.472SS..  trans-64.1138.2171.8-70.6165.8000110.8S206 S215S206-L208 PolarHBondContact O-N 2.95Å; L208-S215 WeakPolarHBondContact CB-OG 3.48Å; L208-S215 WeakPolarHBondContact O-CB 3Å; L208-S215 PolarHBondContact O-N 3.05Å; L208-S215 PolarHBondContact O-OG 2.88Å
209I52.7Low47.8Very low24 Ų2480.4 Ų80.412%0.12346%0.464CS..EExtended strand (participates in β ladder)trans-90.3134.6170.9-66.1175.6000108.3L340 P450I209-L340 HydrophobicContact CD1-CD2 4.06Å; I209-L340 HydrophobicContact CG1-CD2 4.33Å; I209-L340 HydrophobicContact CG2-CD2 4.23Å; I209-P450 HydrophobicContact CD1-CB 3.52Å; I209-P450 HydrophobicContact CD1-CG 3.49Å; I209-P450 VanDerWaalsContact CD1-CG 3.49Å
210G50.1Low50.1Low24 Ų2474.2 Ų74.225%0.24743%0.431CS..EExtended strand (participates in β ladder)trans-123.8174.5170.600000111.5L212 G213G210-L212 PolarHBondContact O-N 3.38Å; G210-G213 PolarHBondContact N-O 3.2Å; G210-G213 PolarHBondContact O-N 3.3Å; G210-G213 VanDerWaalsContact O-O 3.12Å
211N45.4Very low52.7Low116 Ų11667.4 Ų67.462%0.6240%0.404SS*.THydrogen-bonded Turntrans-59.6-4.3-172.5-63.9-3.8000115.7S344N211-S344 VanDerWaalsContact CA-OG 3.29Å; N211-S344 WeakPolarHBondContact CA-OG 3.41Å; N211-S344 PolarHBondContact N-OG 3.24Å; N211-S344 PolarHBondContact OD1-OG 3.41Å
212L47.7Very low55.2Low131 Ų13162.6 Ų62.669%0.68638%0.375SS*.THydrogen-bonded Turntrans-122.10.4-179.3-72.9159.3000113.3G210G210-L212 PolarHBondContact O-N 3.38Å
213G58.1Low57.6Low8 Ų863.4 Ų63.48%0.08237%0.374CS..EExtended strand (participates in β ladder)trans127.4-154.4-178.800000113.3G210 S215G210-G213 PolarHBondContact N-O 3.2Å; G210-G213 PolarHBondContact O-N 3.3Å; G210-G213 VanDerWaalsContact O-O 3.12Å; G213-S215 PolarHBondContact O-N 2.99Å
214I63.9Low60.2Low5 Ų560.4 Ų60.43%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-69.2120.8-179.7-61172.8000108.9L33 W36 P207 A222 L340 L451L33-I214 HydrophobicContact CD2-CB 3.85Å; L33-I214 HydrophobicContact CD2-CG2 3.96Å; L33-I214 HydrophobicContact CG-CB 4.26Å; W36-I214 HydrophobicContact CB-CD1 3.87Å; P207-I214 HydrophobicContact CB-CG2 4.04Å; I214-A222 VanDerWaalsContact O-CB 3.25Å; I214-A222 WeakPolarHBondContact O-CB 3.26Å; I214-L340 HydrophobicContact CG1-CD2 4.35Å; I214-L451 HydrophobicContact CD1-CD2 3.65Å; I214-L451 HydrophobicContact CG1-CD2 4.33Å
215S62Low62.5Low41 Ų4156.6 Ų56.629%0.28733%0.327SS..  trans-80-33.6-169.666.60000114.3L208 G213 A222L208-S215 WeakPolarHBondContact CB-OG 3.48Å; L208-S215 WeakPolarHBondContact O-CB 3Å; L208-S215 PolarHBondContact O-N 3.05Å; L208-S215 PolarHBondContact O-OG 2.88Å; G213-S215 PolarHBondContact O-N 2.99Å; S215-A222 WeakPolarHBondContact O-CB 3.19Å; S215-A222 PolarHBondContact O-N 3.19Å
216N67.6Low64.6Low45 Ų4548.1 Ų48.124%0.24129%0.288CS..EExtended strand (participates in β ladder)trans-137.2146.6-175.9-66.4-18.6000111I220 P221N216-I220 CarbonylContact C-O 3.57Å; N216-I220 VanDerWaalsContact CA-O 3.32Å; N216-I220 WeakPolarHBondContact CA-O 3.39Å; N216-P221 WeakPolarHBondContact OD1-CA 3.27Å
217I73.6Confident66.3Low0 Ų048.6 Ų48.60%029%0.291CS..EExtended strand (participates in β ladder)trans-114.8114.8162.5-66.1-176.1000107.9F22 L33 W36 G219 I220 L225 F249 L295F22-I217 HydrophobicContact CB-CD1 4.19Å; L33-I217 HydrophobicContact CD1-CD1 4.12Å; L33-I217 HydrophobicContact CD2-CD1 3.69Å; L33-I217 HydrophobicContact CD2-CG1 3.76Å; W36-I217 HydrophobicContact CB-CD1 4.25Å; W36-I217 HydrophobicContact CB-CG1 4.3Å; W36-I217 HydrophobicContact CD2-CD1 4.05Å; W36-I217 HydrophobicContact CD2-CG1 4.07Å; W36-I217 HydrophobicContact CD2-CG2 3.92Å; W36-I217 HydrophobicContact CE3-CD1 3.9Å; W36-I217 HydrophobicContact CE3-CG1 4.4Å; W36-I217 HydrophobicContact CE3-CG2 4.02Å; W36-I217 HydrophobicContact CG-CD1 4.21Å; W36-I217 HydrophobicContact CG-CG1 4.01Å; W36-I217 HydrophobicContact CH2-CG2 3.9Å; W36-I217 HydrophobicContact CZ2-CG2 3.8Å; W36-I217 HydrophobicContact CZ3-CG2 4Å; I217-G219 PolarHBondContact O-N 2.84Å; I217-G219 VanDerWaalsContact O-N 3.14Å; I217-I220 PolarHBondContact N-O 2.9Å; I217-I220 WeakPolarHBondContact O-CB 3.29Å; I217-I220 PolarHBondContact O-N 3.28Å; I217-L225 HydrophobicContact CD1-CD2 3.79Å; I217-F249 HydrophobicContact CG2-CE1 4.24Å; I217-F249 HydrophobicContact CG2-CZ 4.44Å; I217-L295 HydrophobicContact CG2-CD2 3.69Å
218E70.1Confident67.7Low67 Ų6750.3 Ų50.331%0.31330%0.298SS..THydrogen-bonded Turntrans48.241.4177.9-57.4-166.5137.400114.3R19 W36 I220 N247 L295R19-E218 IonicContact CZ-OE1 3.12Å; R19-E218 IonicContact CZ-OE2 2.9Å; R19-E218 VanDerWaalsContact NE-CD 3.28Å; R19-E218 IonicContact NE-OE1 2.66Å; R19-E218 PolarHBondContact NE-OE1 2.99Å; R19-E218 IonicContact NE-OE2 2.69Å; R19-E218 PolarHBondContact NE-OE2 3.18Å; R19-E218 IonicContact NH1-OE2 3.5Å; R19-E218 PolarHBondContact NH1-OE2 2.88Å; R19-E218 IonicContact NH2-OE1 2.76Å; R19-E218 PolarHBondContact NH2-OE1 3.48Å; R19-E218 IonicContact NH2-OE2 3.05Å; R19-E218 PolarHBondContact NH2-OE2 2.88Å; W36-E218 HydrophobicContact CZ2-CG 4.01Å; E218-I220 VanDerWaalsContact C-N 3.32Å; E218-I220 PolarHBondContact O-N 2.9Å; E218-N247 PolarHBondContact OE2-ND2 3.17Å; E218-L295 HydrophobicContact CG-CD2 4.09Å; E218-L295 WeakPolarHBondContact OE2-CD2 3.43Å
219G68.3Low68.9Low44 Ų4445.8 Ų45.845%0.45427%0.274SS..THydrogen-bonded Turntrans85.9-12.2-177.900000115.5I217 P221I217-G219 PolarHBondContact O-N 2.84Å; I217-G219 VanDerWaalsContact O-N 3.14Å; G219-P221 WeakPolarHBondContact O-CD 3.3Å
220I78.2Confident69.4Low32 Ų3250.4 Ų50.416%0.16430%0.295CS..EExtended strand (participates in β ladder)trans-83.4122.3174.1-61.1171.9000109.2N216 I217 E218 A222 L244 N247 F249N216-I220 CarbonylContact C-O 3.57Å; N216-I220 VanDerWaalsContact CA-O 3.32Å; N216-I220 WeakPolarHBondContact CA-O 3.39Å; I217-I220 PolarHBondContact N-O 2.9Å; I217-I220 WeakPolarHBondContact O-CB 3.29Å; I217-I220 PolarHBondContact O-N 3.28Å; E218-I220 VanDerWaalsContact C-N 3.32Å; E218-I220 PolarHBondContact O-N 2.9Å; I220-A222 PolarHBondContact O-N 3.4Å; I220-L244 HydrophobicContact CD1-CB 4.32Å; I220-L244 HydrophobicContact CD1-CD1 4.11Å; I220-L244 HydrophobicContact CG2-CD1 4.32Å; I220-N247 HydrophobicContact CD1-CB 4.46Å; I220-F249 HydrophobicContact CD1-CE2 3.71Å; I220-F249 HydrophobicContact CD1-CZ 3.9Å
221P80Confident69.9Low54 Ų5449.4 Ų49.435%0.35128%0.284SS..EExtended strand (participates in β ladder)trans-61.7134.1176.9-26.237.1000113N216 G219 N223 V224 L225N216-P221 WeakPolarHBondContact OD1-CA 3.27Å; G219-P221 WeakPolarHBondContact O-CD 3.3Å; P221-N223 VanDerWaalsContact C-N 3.3Å; P221-N223 WeakPolarHBondContact CB-OD1 3.37Å; P221-N223 PolarHBondContact O-N 3.46Å; P221-V224 HydrophobicContact CB-CG2 4.16Å; P221-V224 WeakPolarHBondContact O-CB 3.41Å; P221-V224 PolarHBondContact O-N 2.57Å; P221-V224 VanDerWaalsContact O-N 3.11Å; P221-L225 PolarHBondContact O-N 3.21Å; P221-L225 VanDerWaalsContact O-N 3.15Å
222A79.8Confident70.6Confident7 Ų749.3 Ų49.36%0.05828%0.28CS..Hα-helixtrans-63.7-34.5-175.300000112.2L33 I214 S215 I220 V224 L225 L226L33-A222 HydrophobicContact CB-CB 4.44Å; L33-A222 HydrophobicContact CD2-CB 3.91Å; I214-A222 VanDerWaalsContact O-CB 3.25Å; I214-A222 WeakPolarHBondContact O-CB 3.26Å; S215-A222 WeakPolarHBondContact O-CB 3.19Å; S215-A222 PolarHBondContact O-N 3.19Å; I220-A222 PolarHBondContact O-N 3.4Å; A222-V224 VanDerWaalsContact C-N 3.32Å; A222-V224 PolarHBondContact O-N 2.84Å; A222-L225 PolarHBondContact O-N 2.84Å; A222-L226 VanDerWaalsContact O-CB 3.31Å; A222-L226 WeakPolarHBondContact O-CB 3.15Å; A222-L226 WeakPolarHBondContact O-CD1 3.34Å; A222-L226 WeakPolarHBondContact O-CG 3.3Å; A222-L226 PolarHBondContact O-N 3.19Å
223N78.3Confident71.3Confident117 Ų11743.4 Ų43.463%0.62625%0.249SC*.Hα-helixtrans-60.8-38.717462.5-24.2000112.7P221 S227P221-N223 VanDerWaalsContact C-N 3.3Å; P221-N223 WeakPolarHBondContact CB-OD1 3.37Å; P221-N223 PolarHBondContact O-N 3.46Å; N223-S227 WeakPolarHBondContact O-CB 3.4Å; N223-S227 PolarHBondContact O-N 2.92Å; N223-S227 PolarHBondContact O-OG 2.79Å
224V79.9Confident71.7Confident64 Ų6451.6 Ų51.639%0.38829%0.285SS..Hα-helixtrans-64.1-49.2173.71780000109.8P221 A222 L226 S227 L228P221-V224 HydrophobicContact CB-CG2 4.16Å; P221-V224 WeakPolarHBondContact O-CB 3.41Å; P221-V224 PolarHBondContact O-N 2.57Å; P221-V224 VanDerWaalsContact O-N 3.11Å; A222-V224 VanDerWaalsContact C-N 3.32Å; A222-V224 PolarHBondContact O-N 2.84Å; V224-L226 PolarHBondContact O-N 3.19Å; V224-S227 PolarHBondContact O-N 3.18Å; V224-S227 PolarHBondContact O-OG 2.81Å; V224-L228 HydrophobicContact CG1-CD1 3.98Å; V224-L228 WeakPolarHBondContact O-CG 3.44Å; V224-L228 PolarHBondContact O-N 2.82Å
225L80.5Confident72.2Confident2 Ų254 Ų541%0.0131%0.306CS..Hα-helixtrans-59.7-49.1178.3179.962.5000112.1I217 P221 A222 S227 L228 L229 F249I217-L225 HydrophobicContact CD1-CD2 3.79Å; P221-L225 PolarHBondContact O-N 3.21Å; P221-L225 VanDerWaalsContact O-N 3.15Å; A222-L225 PolarHBondContact O-N 2.84Å; L225-S227 VanDerWaalsContact C-N 3.31Å; L225-S227 PolarHBondContact O-N 3.08Å; L225-L228 PolarHBondContact O-N 2.96Å; L225-L228 VanDerWaalsContact O-N 3.14Å; L225-L229 HydrophobicContact CD1-CD1 4.3Å; L225-L229 HydrophobicContact CD1-CG 4.23Å; L225-L229 HydrophobicContact CG-CD1 3.92Å; L225-L229 HydrophobicContact CG-CG 4.32Å; L225-L229 VanDerWaalsContact O-CG 3.24Å; L225-L229 WeakPolarHBondContact O-CG 3.49Å; L225-L229 PolarHBondContact O-N 3.47Å; L225-F249 HydrophobicContact CD1-CB 4.45Å; L225-F249 HydrophobicContact CD1-CD1 3.64Å; L225-F249 HydrophobicContact CD1-CD2 4.02Å; L225-F249 HydrophobicContact CD1-CE1 3.78Å; L225-F249 HydrophobicContact CD1-CE2 4.16Å; L225-F249 HydrophobicContact CD1-CG 3.77Å; L225-F249 HydrophobicContact CD1-CZ 4.05Å; L225-F249 HydrophobicContact CD2-CD1 3.94Å; L225-F249 HydrophobicContact CD2-CE1 3.54Å; L225-F249 HydrophobicContact CD2-CZ 4.17Å; L225-F249 HydrophobicContact CG-CD1 4.47Å; L225-F249 HydrophobicContact CG-CE1 4.32Å
226L81.5Confident72.9Confident20 Ų2056.4 Ų56.411%0.10532%0.315CS..Hα-helixtrans-57.6-43178-66.8166000110.9L33 A222 V224 L228 L229 H230 Q231L33-L226 HydrophobicContact CB-CD1 4.48Å; L33-L226 HydrophobicContact CB-CD2 4.33Å; A222-L226 VanDerWaalsContact O-CB 3.31Å; A222-L226 WeakPolarHBondContact O-CB 3.15Å; A222-L226 WeakPolarHBondContact O-CD1 3.34Å; A222-L226 WeakPolarHBondContact O-CG 3.3Å; A222-L226 PolarHBondContact O-N 3.19Å; V224-L226 PolarHBondContact O-N 3.19Å; L226-L228 PolarHBondContact O-N 3.14Å; L226-L229 PolarHBondContact O-N 2.93Å; L226-H230 PolarHBondContact O-N 2.82Å; L226-Q231 PolarHBondContact O-OE1 2.89Å
227S78Confident73.7Confident79 Ų7958.5 Ų58.555%0.55232%0.323SS*.Hα-helixtrans-62.9-38.5175.878.10000113.5N223 V224 L225 H230N223-S227 WeakPolarHBondContact O-CB 3.4Å; N223-S227 PolarHBondContact O-N 2.92Å; N223-S227 PolarHBondContact O-OG 2.79Å; V224-S227 PolarHBondContact O-N 3.18Å; V224-S227 PolarHBondContact O-OG 2.81Å; L225-S227 VanDerWaalsContact C-N 3.31Å; L225-S227 PolarHBondContact O-N 3.08Å; S227-H230 PolarHBondContact O-N 3.45Å
228L76.9Confident74.2Confident77 Ų7763.6 Ų63.640%0.40334%0.343SS..Hα-helixtrans-74.4-29.7177.9-68.6169.5000112.9V224 L225 L226 H230 I242 L244V224-L228 HydrophobicContact CG1-CD1 3.98Å; V224-L228 WeakPolarHBondContact O-CG 3.44Å; V224-L228 PolarHBondContact O-N 2.82Å; L225-L228 PolarHBondContact O-N 2.96Å; L225-L228 VanDerWaalsContact O-N 3.14Å; L226-L228 PolarHBondContact O-N 3.14Å; L228-H230 PolarHBondContact O-N 2.88Å; L228-I242 HydrophobicContact CB-CD1 3.99Å; L228-I242 HydrophobicContact CB-CG2 4.42Å; L228-I242 HydrophobicContact CD1-CG2 4.28Å; L228-L244 HydrophobicContact CD1-CD1 3.88Å; L228-L244 HydrophobicContact CD1-CD2 3.95Å; L228-L244 HydrophobicContact CD1-CG 4.44Å
229L73.7Confident75.1Confident4 Ų466.2 Ų66.22%0.02135%0.353CS..Hα-helixtrans-67.4-22.5172.8-68.4168.1000112F22 L225 L226 Q231 I240 I242 T291F22-L229 HydrophobicContact CE2-CD1 3.98Å; F22-L229 HydrophobicContact CE2-CD2 4.21Å; F22-L229 HydrophobicContact CZ-CD2 4.21Å; L225-L229 HydrophobicContact CD1-CD1 4.3Å; L225-L229 HydrophobicContact CD1-CG 4.23Å; L225-L229 HydrophobicContact CG-CD1 3.92Å; L225-L229 HydrophobicContact CG-CG 4.32Å; L225-L229 VanDerWaalsContact O-CG 3.24Å; L225-L229 WeakPolarHBondContact O-CG 3.49Å; L225-L229 PolarHBondContact O-N 3.47Å; L226-L229 PolarHBondContact O-N 2.93Å; L229-Q231 HydrophobicContact CB-CG 3.68Å; L229-Q231 PolarHBondContact O-N 2.8Å; L229-I240 HydrophobicContact CD2-CD1 3.85Å; L229-I240 HydrophobicContact CD2-CG2 3.77Å; L229-I242 HydrophobicContact CD2-CD1 3.74Å; L229-I242 HydrophobicContact CG-CD1 4.17Å; L229-T291 HydrophobicContact CD2-CG2 4.44Å
230H63.4Low76.1Confident122 Ų12264.6 Ų64.657%0.56533%0.334SS*.THydrogen-bonded Turntrans42.367.1178.9-168.787.2000111.7L226 S227 L228 Q232 R238L226-H230 PolarHBondContact O-N 2.82Å; S227-H230 PolarHBondContact O-N 3.45Å; L228-H230 PolarHBondContact O-N 2.88Å; H230-Q232 PolarHBondContact O-N 3.17Å; H230-R238 PolarHBondContact O-NH1 2.91Å
231Q60.1Low76.7Confident3 Ų369 Ų691%0.01435%0.349CS..  trans-74-24.2-146-66.5171.9-116.900115S24 S25 D31 L226 L229 T233 S289S24-Q231 PolarHBondContact OG-NE2 3.5Å; S25-Q231 PolarHBondContact O-NE2 2.95Å; D31-Q231 PolarHBondContact OD2-OE1 3.26Å; L226-Q231 PolarHBondContact O-OE1 2.89Å; L229-Q231 HydrophobicContact CB-CG 3.68Å; L229-Q231 PolarHBondContact O-N 2.8Å; Q231-T233 VanDerWaalsContact C-N 3.34Å; Q231-T233 PolarHBondContact O-N 2.84Å; Q231-S289 PolarHBondContact O-OG 2.64Å
232Q60.8Low77.2Confident113 Ų11367.5 Ų67.553%0.52834%0.338SS..  trans-73.485.1176.2-168.3176.18.600111.5H230 I288H230-Q232 PolarHBondContact O-N 3.17Å; Q232-I288 HydrophobicContact CG-CG2 4.14Å
233T63.5Low77.7Confident8 Ų872.6 Ų72.65%0.04936%0.359CS..  trans-81.8121.4168.8177.10000110.9Q231 A235 R238 A253 N255Q231-T233 VanDerWaalsContact C-N 3.34Å; Q231-T233 PolarHBondContact O-N 2.84Å; T233-A235 VanDerWaalsContact C-N 3.34Å; T233-A235 PolarHBondContact OG1-N 3.11Å; T233-A235 PolarHBondContact OG1-O 3.41Å; T233-R238 HydrophobicContact CG2-CB 4.47Å; T233-A253 HydrophobicContact CG2-CB 3.8Å; T233-N255 HydrophobicContact CG2-CB 4.47Å; T233-N255 WeakPolarHBondContact O-CB 3.39Å; T233-N255 PolarHBondContact O-ND2 2.84Å
234Q66.1Low78.1Confident179 Ų17969.1 Ų69.184%0.83634%0.34SS*.SBendtrans-71.3-32.2167.5-70.2-177.2-1100111.4N255Q234-N255 PolarHBondContact O-ND2 3.02Å; Q234-N255 VanDerWaalsContact O-ND2 3.09Å
235A74.1Confident78.3Confident56 Ų5672.9 Ų72.946%0.46336%0.358SS..SBendtrans-68.3141174.600000111.3T233 Q237T233-A235 VanDerWaalsContact C-N 3.34Å; T233-A235 PolarHBondContact OG1-N 3.11Å; T233-A235 PolarHBondContact OG1-O 3.41Å; A235-Q237 PolarHBondContact O-N 3.39Å; A235-Q237 VanDerWaalsContact O-N 3.11Å
236L76.5Confident78.6Confident92 Ų9279.4 Ų79.448%0.48239%0.388SS..SBendtrans-45.8-42.8179.6-177.268.2000113.3F254 N255 R320L236-F254 WeakPolarHBondContact O-CA 3.47Å; L236-N255 PolarHBondContact O-N 3.15Å; L236-R320 VanDerWaalsContact CD1-CZ 3.41Å
237Q83.8Confident78.9Confident88 Ų8879.1 Ų79.141%0.41139%0.387SS..EExtended strand (participates in β ladder)trans-141148.3171.661.6179.4-8.300110.3A235 A253 F254A235-Q237 PolarHBondContact O-N 3.39Å; A235-Q237 VanDerWaalsContact O-N 3.11Å; Q237-A253 CarbonylContact C-O 3.56Å; Q237-A253 VanDerWaalsContact CA-O 3.23Å; Q237-A253 WeakPolarHBondContact CA-O 3.24Å; Q237-F254 HydrophobicContact CB-CD1 3.94Å; Q237-F254 HydrophobicContact CB-CE1 3.8Å; Q237-F254 HydrophobicContact CB-CZ 4.4Å
238R85Confident79.6Confident108 Ų10875.5 Ų75.541%0.40836%0.361SS..EExtended strand (participates in β ladder)trans-136.6121.1175.3175.4-178.2178.9-164.80.2109.9H230 T233 A252 A253H230-R238 PolarHBondContact O-NH1 2.91Å; T233-R238 HydrophobicContact CG2-CB 4.47Å; R238-A252 WeakPolarHBondContact O-CA 3.45Å; R238-A253 HydrophobicContact CB-CB 4.38Å; R238-A253 PolarHBondContact N-O 2.72Å; R238-A253 PolarHBondContact O-N 3.05Å
239K88.8Confident80.3Confident121 Ų12171.8 Ų71.853%0.52634%0.342SS..EExtended strand (participates in β ladder)trans-65.8139.9172177.3169-176.5149.60110.4T309K239-T309 HydrophobicContact CD-CG2 3.74Å; K239-T309 VanDerWaalsContact CE-CG2 3.5Å; K239-T309 WeakPolarHBondContact CE-OG1 3.45Å; K239-T309 HydrophobicContact CG-CG2 3.83Å; K239-T309 PolarHBondContact NZ-OG1 2.71Å
240I88.8Confident81.2Confident10 Ų1071.7 Ų71.75%0.05134%0.341CS..EExtended strand (participates in β ladder)trans-116.5134.5179.1-61.9171.8000109.3L229 I242 I250 G251 A253 T291L229-I240 HydrophobicContact CD2-CD1 3.85Å; L229-I240 HydrophobicContact CD2-CG2 3.77Å; I240-I242 HydrophobicContact CG2-CD1 3.95Å; I240-I242 HydrophobicContact CG2-CG1 4.08Å; I240-I250 WeakPolarHBondContact O-CA 3.41Å; I240-G251 PolarHBondContact N-O 3.32Å; I240-G251 PolarHBondContact O-N 3.01Å; I240-G251 VanDerWaalsContact O-N 3.15Å; I240-A253 HydrophobicContact CD1-CB 4.06Å; I240-T291 HydrophobicContact CD1-CG2 3.38Å
241Y91.5Very high82.6Confident124 Ų12465.9 Ų65.949%0.48631%0.314SS..EExtended strand (participates in β ladder)trans-146.9116.8166.8177.5-87000107.4K243 I248 F249 I250 L305Y241-K243 HydrophobicContact CE1-CB 4.24Å; Y241-I248 HydrophobicContact CD2-CG2 3.86Å; Y241-I248 HydrophobicContact CE2-CD1 4.41Å; Y241-I248 HydrophobicContact CE2-CG2 3.39Å; Y241-F249 WeakPolarHBondContact CA-O 3.22Å; Y241-I250 HydrophobicContact CD2-CG2 3.83Å; Y241-I250 HydrophobicContact CE2-CG2 4.43Å; Y241-L305 HydrophobicContact CE2-CD1 4.13Å
242I90.3Very high84.1Confident24 Ų2465.9 Ų65.912%0.12332%0.315CS..EExtended strand (participates in β ladder)trans-133.9121.4178.1-54.8163.6000106.9L228 L229 I240 L244 I248 F249L228-I242 HydrophobicContact CB-CD1 3.99Å; L228-I242 HydrophobicContact CB-CG2 4.42Å; L228-I242 HydrophobicContact CD1-CG2 4.28Å; L229-I242 HydrophobicContact CD2-CD1 3.74Å; L229-I242 HydrophobicContact CG-CD1 4.17Å; I240-I242 HydrophobicContact CG2-CD1 3.95Å; I240-I242 HydrophobicContact CG2-CG1 4.08Å; I242-L244 HydrophobicContact CG2-CD1 4.41Å; I242-L244 HydrophobicContact CG2-CD2 4.38Å; I242-L244 HydrophobicContact CG2-CG 4.08Å; I242-I248 CarbonylContact O-C 3.52Å; I242-I248 WeakPolarHBondContact O-CA 3.49Å; I242-F249 HydrophobicContact CB-CB 4.36Å; I242-F249 PolarHBondContact N-O 3.35Å; I242-F249 PolarHBondContact O-N 3.21Å
243K89.9Confident85.5Confident114 Ų11460.5 Ų60.550%0.49629%0.29SS..EExtended strand (participates in β ladder)trans-104.6126.1173.9179.5170.8178172.10109.5Y241 D245 I248Y241-K243 HydrophobicContact CE1-CB 4.24Å; K243-D245 WeakPolarHBondContact CE-O 3.39Å; K243-I248 HydrophobicContact CB-CG1 4.29Å; K243-I248 HydrophobicContact CD-CG1 4.37Å; K243-I248 HydrophobicContact CG-CG1 4.09Å
244L86.8Confident86.8Confident43 Ų4360.4 Ų60.423%0.22529%0.289CS..EExtended strand (participates in β ladder)trans-129.8107.5176.8-63.5175.1000107.4I220 L228 I242 H246 N247 F249I220-L244 HydrophobicContact CD1-CB 4.32Å; I220-L244 HydrophobicContact CD1-CD1 4.11Å; I220-L244 HydrophobicContact CG2-CD1 4.32Å; L228-L244 HydrophobicContact CD1-CD1 3.88Å; L228-L244 HydrophobicContact CD1-CD2 3.95Å; L228-L244 HydrophobicContact CD1-CG 4.44Å; I242-L244 HydrophobicContact CG2-CD1 4.41Å; I242-L244 HydrophobicContact CG2-CD2 4.38Å; I242-L244 HydrophobicContact CG2-CG 4.08Å; L244-H246 PolarHBondContact O-N 3.44Å; L244-N247 PolarHBondContact N-O 3.2Å; L244-N247 WeakPolarHBondContact O-CA 3.29Å; L244-N247 PolarHBondContact O-N 2.92Å; L244-N247 VanDerWaalsContact O-O 3.08Å; L244-F249 HydrophobicContact CD1-CD2 4.41Å; L244-F249 HydrophobicContact CD1-CE2 4.09Å
245D84.6Confident87.8Confident143 Ų14352.6 Ų52.677%0.76525%0.253SS*.THydrogen-bonded Turntrans47.9-107.6-177.5-50.9-36.5000113.3K243K243-D245 WeakPolarHBondContact CE-O 3.39Å
246H86.3Confident88.3Confident140 Ų14050.7 Ų50.765%0.64824%0.235SC*.THydrogen-bonded Turntrans-91.41.4-178.9-60.4-57.7000114.4L244 D297 S298L244-H246 PolarHBondContact O-N 3.44Å; H246-D297 CarbonylContact O-C 3.39Å; H246-S298 WeakPolarHBondContact O-CB 3.38Å; H246-S298 PolarHBondContact O-N 3.12Å; H246-S298 PolarHBondContact O-OG 3.09Å
247N88.7Confident88.3Confident13 Ų1349.1 Ų49.17%0.0723%0.232CC..EExtended strand (participates in β ladder)trans-120.1142.9-174.1-89.5-1.2000111.6R19 E218 I220 L244 F249 L295 M296R19-N247 PolarHBondContact NH1-OD1 2.98Å; E218-N247 PolarHBondContact OE2-ND2 3.17Å; I220-N247 HydrophobicContact CD1-CB 4.46Å; L244-N247 PolarHBondContact N-O 3.2Å; L244-N247 WeakPolarHBondContact O-CA 3.29Å; L244-N247 PolarHBondContact O-N 2.92Å; L244-N247 VanDerWaalsContact O-O 3.08Å; N247-F249 HydrophobicContact CB-CE2 4.41Å; N247-L295 HydrophobicContact CB-CD1 3.86Å; N247-M296 CarbonylContact C-O 3.56Å; N247-M296 WeakPolarHBondContact CA-O 3.15Å
248I91.8Very high87.4Confident3 Ų348.1 Ų48.12%0.01523%0.233CC..EExtended strand (participates in β ladder)trans-126.1118.3173.8-55.7174.5000108.9Y241 I242 K243 I250 M296 L305Y241-I248 HydrophobicContact CD2-CG2 3.86Å; Y241-I248 HydrophobicContact CE2-CD1 4.41Å; Y241-I248 HydrophobicContact CE2-CG2 3.39Å; I242-I248 CarbonylContact O-C 3.52Å; I242-I248 WeakPolarHBondContact O-CA 3.49Å; K243-I248 HydrophobicContact CB-CG1 4.29Å; K243-I248 HydrophobicContact CD-CG1 4.37Å; K243-I248 HydrophobicContact CG-CG1 4.09Å; I248-I250 HydrophobicContact CG2-CG2 3.8Å; I248-M296 HydrophobicContact CB-CB 4.34Å; I248-M296 PolarHBondContact N-O 3.1Å; I248-M296 PolarHBondContact O-N 3.24Å; I248-L305 HydrophobicContact CD1-CD1 4.31Å; I248-L305 HydrophobicContact CG2-CD2 4.36Å
249F92.2Very high86.2Confident0 Ų044.8 Ų44.80%023%0.226CC..EExtended strand (participates in β ladder)trans-89.9121.5169.4-62.3-98.8000108.9F22 I217 I220 L225 Y241 I242 L244 N247 L295F22-F249 HydrophobicContact CD1-CD1 4.31Å; F22-F249 HydrophobicContact CE1-CB 4.41Å; F22-F249 AromaticContact CE1-CD1 3.79Å; F22-F249 HydrophobicContact CE1-CD1 3.79Å; F22-F249 HydrophobicContact CZ-CD1 4.3Å; I217-F249 HydrophobicContact CG2-CE1 4.24Å; I217-F249 HydrophobicContact CG2-CZ 4.44Å; I220-F249 HydrophobicContact CD1-CE2 3.71Å; I220-F249 HydrophobicContact CD1-CZ 3.9Å; L225-F249 HydrophobicContact CD1-CB 4.45Å; L225-F249 HydrophobicContact CD1-CD1 3.64Å; L225-F249 HydrophobicContact CD1-CD2 4.02Å; L225-F249 HydrophobicContact CD1-CE1 3.78Å; L225-F249 HydrophobicContact CD1-CE2 4.16Å; L225-F249 HydrophobicContact CD1-CG 3.77Å; L225-F249 HydrophobicContact CD1-CZ 4.05Å; L225-F249 HydrophobicContact CD2-CD1 3.94Å; L225-F249 HydrophobicContact CD2-CE1 3.54Å; L225-F249 HydrophobicContact CD2-CZ 4.17Å; L225-F249 HydrophobicContact CG-CD1 4.47Å; L225-F249 HydrophobicContact CG-CE1 4.32Å; Y241-F249 WeakPolarHBondContact CA-O 3.22Å; I242-F249 HydrophobicContact CB-CB 4.36Å; I242-F249 PolarHBondContact N-O 3.35Å; I242-F249 PolarHBondContact O-N 3.21Å; L244-F249 HydrophobicContact CD1-CD2 4.41Å; L244-F249 HydrophobicContact CD1-CE2 4.09Å; N247-F249 HydrophobicContact CB-CE2 4.41Å; F249-L295 HydrophobicContact CD1-CD1 3.88Å; F249-L295 HydrophobicContact CD2-CD1 3.9Å; F249-L295 HydrophobicContact CE1-CD1 3.71Å; F249-L295 HydrophobicContact CE1-CD2 4.06Å; F249-L295 HydrophobicContact CE1-CG 4.35Å; F249-L295 HydrophobicContact CE2-CD1 3.72Å; F249-L295 HydrophobicContact CG-CD1 3.97Å; F249-L295 HydrophobicContact CZ-CD1 3.63Å; F249-L295 HydrophobicContact CZ-CD2 4.08Å; F249-L295 HydrophobicContact CZ-CG 4.48Å
250I92.7Very high84.4Confident1 Ų145.8 Ų45.81%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-122.4147.1175.555174.3000110.1I240 Y241 I248 G293 F294 M296 L305 L308I240-I250 WeakPolarHBondContact O-CA 3.41Å; Y241-I250 HydrophobicContact CD2-CG2 3.83Å; Y241-I250 HydrophobicContact CE2-CG2 4.43Å; I248-I250 HydrophobicContact CG2-CG2 3.8Å; I250-G293 CarbonylContact O-C 3.59Å; I250-G293 WeakPolarHBondContact O-CA 3.4Å; I250-F294 HydrophobicContact CG1-CB 4.11Å; I250-F294 PolarHBondContact N-O 3.45Å; I250-F294 PolarHBondContact O-N 2.85Å; I250-M296 HydrophobicContact CD1-CG 3.87Å; I250-M296 HydrophobicContact CG1-CG 4.29Å; I250-L305 HydrophobicContact CD1-CD2 3.94Å; I250-L305 HydrophobicContact CG2-CD2 3.99Å; I250-L308 HydrophobicContact CD1-CB 3.48Å; I250-L308 VanDerWaalsContact CD1-CB 3.48Å; I250-L308 HydrophobicContact CD1-CD1 4.28Å
251G92.1Very high82.9Confident0 Ų052.1 Ų52.10%027%0.27CS..EExtended strand (participates in β ladder)trans176.6-165.1-179.500000114.7I240 V292 S312I240-G251 PolarHBondContact N-O 3.32Å; I240-G251 PolarHBondContact O-N 3.01Å; I240-G251 VanDerWaalsContact O-N 3.15Å; G251-V292 VanDerWaalsContact CA-O 3.29Å; G251-V292 WeakPolarHBondContact CA-O 3.42Å; G251-S312 VanDerWaalsContact C-OG 3.28Å; G251-S312 VanDerWaalsContact CA-OG 3.3Å; G251-S312 WeakPolarHBondContact CA-OG 3.35Å
252A91.4Very high81.1Confident3 Ų349.2 Ų49.23%0.02526%0.261CS..EExtended strand (participates in β ladder)trans-140.1128.1170.400000110.7R238 F254 V292 S312 R313R238-A252 WeakPolarHBondContact O-CA 3.45Å; A252-F254 HydrophobicContact CB-CD2 4.29Å; A252-F254 HydrophobicContact CB-CE2 3.53Å; A252-F254 HydrophobicContact CB-CZ 4.1Å; A252-V292 PolarHBondContact N-O 3.25Å; A252-V292 PolarHBondContact O-N 2.66Å; A252-V292 VanDerWaalsContact O-N 3.15Å; A252-S312 PolarHBondContact N-OG 3.31Å; A252-R313 HydrophobicContact CB-CB 4.49Å
253A90.6Very high79.2Confident1 Ų150.6 Ų50.61%0.00827%0.27CS..EExtended strand (participates in β ladder)trans-84.9148.2163.800000110T233 Q237 R238 I240 F290 T291T233-A253 HydrophobicContact CG2-CB 3.8Å; Q237-A253 CarbonylContact C-O 3.56Å; Q237-A253 VanDerWaalsContact CA-O 3.23Å; Q237-A253 WeakPolarHBondContact CA-O 3.24Å; R238-A253 HydrophobicContact CB-CB 4.38Å; R238-A253 PolarHBondContact N-O 2.72Å; R238-A253 PolarHBondContact O-N 3.05Å; I240-A253 HydrophobicContact CD1-CB 4.06Å; A253-F290 CarbonylContact C-O 3.59Å; A253-F290 VanDerWaalsContact CA-O 3.29Å; A253-F290 WeakPolarHBondContact CA-O 3.49Å; A253-T291 WeakPolarHBondContact CB-OG1 3.22Å
254F90.4Very high77Confident5 Ų550.1 Ų50.12%0.02227%0.272CS..EExtended strand (participates in β ladder)trans-133.7135-179.3-73.5-90.2000110.7L236 Q237 A252 S289 F290 R313 G316L236-F254 WeakPolarHBondContact O-CA 3.47Å; Q237-F254 HydrophobicContact CB-CD1 3.94Å; Q237-F254 HydrophobicContact CB-CE1 3.8Å; Q237-F254 HydrophobicContact CB-CZ 4.4Å; A252-F254 HydrophobicContact CB-CD2 4.29Å; A252-F254 HydrophobicContact CB-CE2 3.53Å; A252-F254 HydrophobicContact CB-CZ 4.1Å; F254-S289 CarbonylContact O-C 3.6Å; F254-S289 WeakPolarHBondContact O-CA 3.38Å; F254-S289 WeakPolarHBondContact O-CB 3.4Å; F254-F290 HydrophobicContact CB-CD1 4.02Å; F254-F290 HydrophobicContact CB-CE1 3.53Å; F254-F290 HydrophobicContact CB-CZ 3.82Å; F254-F290 HydrophobicContact CD2-CE2 4.37Å; F254-F290 HydrophobicContact CD2-CZ 4.2Å; F254-F290 HydrophobicContact CG-CE1 4.33Å; F254-F290 HydrophobicContact CG-CZ 4.14Å; F254-F290 PolarHBondContact N-O 3.33Å; F254-F290 PolarHBondContact O-N 2.77Å; F254-R313 HydrophobicContact CZ-CG 4.1Å; F254-R313 WeakPolarHBondContact CZ-O 3.31Å; F254-G316 VanDerWaalsContact CE2-CA 3.48Å
255N87Confident74.9Confident16 Ų1651.1 Ų51.19%0.08629%0.293CS..EExtended strand (participates in β ladder)trans-85.2136.6173.4-172.2-7.7000110.1T233 Q234 L236 S257 I288 R320T233-N255 HydrophobicContact CG2-CB 4.47Å; T233-N255 WeakPolarHBondContact O-CB 3.39Å; T233-N255 PolarHBondContact O-ND2 2.84Å; Q234-N255 PolarHBondContact O-ND2 3.02Å; Q234-N255 VanDerWaalsContact O-ND2 3.09Å; L236-N255 PolarHBondContact O-N 3.15Å; N255-S257 VanDerWaalsContact CG-OG 3.26Å; N255-S257 PolarHBondContact ND2-OG 3.37Å; N255-S257 VanDerWaalsContact ND2-OG 3.11Å; N255-S257 PolarHBondContact OD1-N 3.07Å; N255-S257 PolarHBondContact OD1-OG 2.78Å; N255-I288 PolarHBondContact OD1-O 2.93Å; N255-I288 VanDerWaalsContact OD1-O 3.07Å; N255-R320 WeakPolarHBondContact O-CD 3.42Å; N255-R320 PolarHBondContact O-NE 2.89Å
256L84.8Confident73.1Confident15 Ų1550.3 Ų50.38%0.07929%0.288CS..  trans-95.8-2.1-180-67.9-176.9000114.3M287 I288 F290 R320 E323L256-M287 HydrophobicContact CD1-CB 4.36Å; L256-M287 HydrophobicContact CD1-CE 3.4Å; L256-M287 VanDerWaalsContact CD1-CE 3.4Å; L256-M287 HydrophobicContact CD1-CG 4.48Å; L256-I288 PolarHBondContact N-O 3.29Å; L256-F290 HydrophobicContact CD1-CD1 4.2Å; L256-F290 HydrophobicContact CD2-CD1 3.69Å; L256-F290 HydrophobicContact CD2-CE1 3.54Å; L256-F290 HydrophobicContact CG-CD1 3.93Å; L256-F290 HydrophobicContact CG-CE1 4.29Å; L256-R320 HydrophobicContact CD2-CG 4.13Å; L256-E323 HydrophobicContact CD1-CG 3.96Å; L256-E323 HydrophobicContact CD2-CB 4.37Å; L256-E323 HydrophobicContact CD2-CG 3.59Å; L256-E323 HydrophobicContact CG-CG 4.37Å
257S75.9Confident71.2Confident60 Ų6049.4 Ų49.442%0.4229%0.286SS..SBendtrans-55.6128.4164.660.80000109.4N255 R320N255-S257 VanDerWaalsContact CG-OG 3.26Å; N255-S257 PolarHBondContact ND2-OG 3.37Å; N255-S257 VanDerWaalsContact ND2-OG 3.11Å; N255-S257 PolarHBondContact OD1-N 3.07Å; N255-S257 PolarHBondContact OD1-OG 2.78Å; S257-R320 PolarHBondContact O-NH2 2.85Å
258P65.1Low68.9Low66 Ų6656.4 Ų56.443%0.42932%0.318SS..PPolyproline II helixtrans-61.1139.9166.828.2-33.7000108.3L324P258-L324 HydrophobicContact CB-CD2 4.33Å
259S61.1Low66.4Low39 Ų3963.7 Ų63.727%0.27336%0.358SS..PPolyproline II helixtrans-80.3159.5169.959.80000110.5I261 E262 T263S259-I261 PolarHBondContact O-N 3.26Å; S259-I261 VanDerWaalsContact O-N 3.14Å; S259-E262 WeakPolarHBondContact CB-OE2 3.46Å; S259-E262 PolarHBondContact N-OE2 3.03Å; S259-E262 PolarHBondContact O-N 3.34Å; S259-E262 WeakPolarHBondContact OG-CG 3.36Å; S259-E262 PolarHBondContact OG-OE2 2.81Å; S259-T263 PolarHBondContact O-N 3.35Å; S259-T263 VanDerWaalsContact O-N 3.13Å; S259-T263 PolarHBondContact O-OG1 3.43Å
260D51.4Low63.7Low142 Ų14268.9 Ų68.976%0.75939%0.389SS*.Hα-helixtrans-55.6-36-178.6-50.8-56.9000111.8T263 I264D260-T263 WeakPolarHBondContact O-CB 3.07Å; D260-T263 PolarHBondContact O-N 3.07Å; D260-I264 PolarHBondContact O-N 3.21Å
261I55.4Low60.9Low142 Ų14277.9 Ų77.973%0.72843%0.431SS*.Hα-helixtrans-65.5-40177.3-59170.8000111.7S259 T263S259-I261 PolarHBondContact O-N 3.26Å; S259-I261 VanDerWaalsContact O-N 3.14Å; I261-T263 PolarHBondContact O-N 3.15Å
262E54.4Low58Low64 Ų6485.5 Ų85.530%0.29947%0.472SS..Hα-helixtrans-74.6-17.8178.7-67.9166.613500112.4S259 R320 L324S259-E262 WeakPolarHBondContact CB-OE2 3.46Å; S259-E262 PolarHBondContact N-OE2 3.03Å; S259-E262 PolarHBondContact O-N 3.34Å; S259-E262 WeakPolarHBondContact OG-CG 3.36Å; S259-E262 PolarHBondContact OG-OE2 2.81Å; E262-R320 IonicContact OE1-CZ 3.19Å; E262-R320 IonicContact OE1-NH1 3.5Å; E262-R320 PolarHBondContact OE1-NH1 2.85Å; E262-R320 IonicContact OE1-NH2 2.7Å; E262-R320 IonicContact OE2-CZ 2.75Å; E262-R320 IonicContact OE2-NH1 3.43Å; E262-R320 PolarHBondContact OE2-NH1 3Å; E262-R320 IonicContact OE2-NH2 2.74Å; E262-R320 PolarHBondContact OE2-NH2 3.08Å; E262-L324 WeakPolarHBondContact OE1-CD1 3.29Å
263T50.1Low55.2Low52 Ų5289.9 Ų89.932%0.31950%0.501SS..Hα-helixtrans-81.3-31.2-179-53.60000112S259 D260 I261 L266 I267S259-T263 PolarHBondContact O-N 3.35Å; S259-T263 VanDerWaalsContact O-N 3.13Å; S259-T263 PolarHBondContact O-OG1 3.43Å; D260-T263 WeakPolarHBondContact O-CB 3.07Å; D260-T263 PolarHBondContact O-N 3.07Å; I261-T263 PolarHBondContact O-N 3.15Å; T263-L266 PolarHBondContact O-N 2.78Å; T263-I267 HydrophobicContact CG2-CD1 4Å; T263-I267 WeakPolarHBondContact O-CD1 3.3Å; T263-I267 WeakPolarHBondContact O-CG1 3.14Å
264I43.6Very low52.2Low105 Ų10598.2 Ų98.254%0.53855%0.546SS..Hα-helixtrans-62.4-49.4179.1-63.7165.5000110.6D260 L266 I267D260-I264 PolarHBondContact O-N 3.21Å; I264-L266 PolarHBondContact O-N 2.99Å; I264-I267 PolarHBondContact O-N 2.79Å; I264-I267 VanDerWaalsContact O-N 3.15Å
265G42.6Very low49.5Very low64 Ų64102.5 Ų102.566%0.6657%0.573SS**THydrogen-bonded Turntrans-70.67.5179.900000115.8
266L48.2Very low46.8Very low126 Ų126112.1 Ų112.166%0.6661%0.614SS**THydrogen-bonded Turntrans-113.4-0.3174.6-68.2173.4000112.9T263 I264T263-L266 PolarHBondContact O-N 2.78Å; I264-L266 PolarHBondContact O-N 2.99Å
267I44.8Very low44.3Very low120 Ų120114.9 Ų114.962%0.61563%0.634SS**THydrogen-bonded Turntrans-111.9-23.3-172.7-69.4172.9000112.7T263 I264 D269T263-I267 HydrophobicContact CG2-CD1 4Å; T263-I267 WeakPolarHBondContact O-CD1 3.3Å; T263-I267 WeakPolarHBondContact O-CG1 3.14Å; I264-I267 PolarHBondContact O-N 2.79Å; I264-I267 VanDerWaalsContact O-N 3.15Å; I267-D269 PolarHBondContact O-N 3.15Å
268E41.1Very low42.1Very low160 Ų160116.8 Ų116.875%0.74865%0.646SS**THydrogen-bonded Turntrans-71.2-13.6-173.5-61.9-175.1150.500114.3
269D38.6Very low40.6Very low157 Ų157120.2 Ų120.284%0.8466%0.661SS**THydrogen-bonded Turntrans-101.828.5-175.9-91.5-23.4000114.7I267I267-D269 PolarHBondContact O-N 3.15Å
270T35.9Very low39.1Very low108 Ų108124.2 Ų124.266%0.66368%0.68SS**  trans-157.759.7166.2-11.70000117.9D272T270-D272 PolarHBondContact O-N 3.01Å
271E33.6Very low38.5Very low190 Ų190124.3 Ų124.389%0.88868%0.675SS**  trans-74.385.7157.8-69.8-160.7157.100111
272D32.4Very low37.8Very low160 Ų160123.7 Ų123.786%0.85667%0.673SS**  trans169.566.4148.2-98.9-22.9000114.2T270T270-D272 PolarHBondContact O-N 3.01Å
273C32.2Very low36.7Very low95 Ų95124.8 Ų124.864%0.64269%0.687SS**  trans-157.6116.6154.730.40000115.4T275C273-T275 PolarHBondContact O-N 2.83Å
274N27.5Very low36.3Very low177 Ų177132.2 Ų132.295%0.94771%0.71SS**  trans-78.579.7173.9-83.6-74.9000112.2
275T33.5Very low36.8Very low95 Ų95130.7 Ų130.758%0.58371%0.706SS**  trans-134.5111.9173.3340000113.4C273 S277C273-T275 PolarHBondContact O-N 2.83Å; T275-S277 VanDerWaalsContact C-N 3.33Å; T275-S277 PolarHBondContact O-N 2.98Å
276K30.8Very low37.9Very low218 Ų218130.4 Ų130.495%0.94869%0.691SS**THydrogen-bonded Turntrans-74.379.2172.1-66.7-179177.1-178.90110.8
277S31.8Very low39.1Very low73 Ų73124.8 Ų124.851%0.5166%0.661SS.*THydrogen-bonded Turntrans-149.4-11.9-178.850.70000116.7T275T275-S277 VanDerWaalsContact C-N 3.33Å; T275-S277 PolarHBondContact O-N 2.98Å
278C30.6Very low40.8Very low99 Ų99121.8 Ų121.867%0.66965%0.646SS**THydrogen-bonded Turntrans-76.5-23.8-169.2-62.60000115N280 E281C278-N280 PolarHBondContact O-N 2.84Å; C278-E281 PolarHBondContact O-N 2.98Å
279D32.5Very low43Very low138 Ų138114.2 Ų114.274%0.73861%0.61SS**Hα-helixtrans-60.6-20-176.8-49.5-54.3000113.7
280N29.6Very low45.5Very low124 Ų124106.8 Ų106.866%0.66357%0.571SS**Hα-helixtrans-89.3-13.1-175.3-81.8-34.6000115.6C278 S283C278-N280 PolarHBondContact O-N 2.84Å; N280-S283 PolarHBondContact O-OG 3.2Å; N280-S283 VanDerWaalsContact O-OG 3.07Å
281E39.6Very low48.2Very low143 Ų143101.6 Ų101.667%0.66854%0.539SS*.Hα-helixtrans-77.2-32.8170.8-77.7-161.7147.700110.9C278 S283 R284 K381C278-E281 PolarHBondContact O-N 2.98Å; E281-S283 VanDerWaalsContact C-N 3.31Å; E281-S283 PolarHBondContact O-N 2.88Å; E281-R284 PolarHBondContact O-N 3.46Å; E281-K381 IonicContact OE1-NZ 3.17Å; E281-K381 PolarHBondContact OE1-NZ 2.86Å; E281-K381 IonicContact OE2-NZ 2.73Å
282L40.8Very low51Low129 Ų12992.6 Ų92.668%0.67550%0.497SS*.Hα-helixtrans-69.3-25-178.6-146.275.1000113.6R284 T285L282-R284 PolarHBondContact O-N 2.94Å; L282-T285 VanDerWaalsContact O-CG2 3.31Å; L282-T285 WeakPolarHBondContact O-CG2 3.06Å; L282-T285 PolarHBondContact O-N 3.08Å; L282-T285 PolarHBondContact O-OG1 3.47Å
283S31.8Very low53.9Low87 Ų8785 Ų8561%0.60846%0.456SS*.THydrogen-bonded Turntrans-72.2-7.8178.568.30000114.2N280 E281 T285N280-S283 PolarHBondContact O-OG 3.2Å; N280-S283 VanDerWaalsContact O-OG 3.07Å; E281-S283 VanDerWaalsContact C-N 3.31Å; E281-S283 PolarHBondContact O-N 2.88Å; S283-T285 VanDerWaalsContact C-N 3.31Å
284R41.5Very low56.9Low209 Ų20980.4 Ų80.479%0.78943%0.426SS*.THydrogen-bonded Turntrans-91.120.8174-65.6-171.2175.4-164.40.4113.8E281 L282 T286E281-R284 PolarHBondContact O-N 3.46Å; L282-R284 PolarHBondContact O-N 2.94Å; R284-T286 PolarHBondContact O-N 3.42Å
285T53.4Low60Low73 Ų7372 Ų7245%0.44838%0.38SS..  trans-68.375.2178.231.20000112L282 S283 M287L282-T285 VanDerWaalsContact O-CG2 3.31Å; L282-T285 WeakPolarHBondContact O-CG2 3.06Å; L282-T285 PolarHBondContact O-N 3.08Å; L282-T285 PolarHBondContact O-OG1 3.47Å; S283-T285 VanDerWaalsContact C-N 3.31Å; T285-M287 PolarHBondContact O-N 2.75Å
286T65.2Low62.9Low57 Ų5767.5 Ų67.535%0.3535%0.353SS..  trans-68-12.8-179.451.90000114.3G27 S28 R284 R333G27-T286 CarbonylContact C-O 3.57Å; G27-T286 VanDerWaalsContact CA-O 3.3Å; G27-T286 WeakPolarHBondContact CA-O 3.49Å; S28-T286 PolarHBondContact N-O 2.93Å; R284-T286 PolarHBondContact O-N 3.42Å; T286-R333 PolarHBondContact OG1-NH1 3.06Å; T286-R333 PolarHBondContact OG1-NH2 3.17Å
287M73.4Confident65.7Low9 Ų958 Ų584%0.04431%0.313CS..  trans-127.7132.4179.3-143.11658700110.6S25 S26 L256 T285 F290 L329S25-M287 WeakPolarHBondContact CB-SD 3.4Å; S26-M287 VanDerWaalsContact O-CG 3.29Å; S26-M287 WeakPolarHBondContact O-CG 3.48Å; L256-M287 HydrophobicContact CD1-CB 4.36Å; L256-M287 HydrophobicContact CD1-CE 3.4Å; L256-M287 VanDerWaalsContact CD1-CE 3.4Å; L256-M287 HydrophobicContact CD1-CG 4.48Å; T285-M287 PolarHBondContact O-N 2.75Å; M287-F290 HydrophobicContact CE-CB 4.11Å; M287-L329 HydrophobicContact CE-CD2 3.38Å; M287-L329 HydrophobicContact CE-CG 3.69Å
288I80.3Confident68.5Low57 Ų5756.2 Ų56.229%0.29230%0.3SS..  trans-106.8-38.3-174.9-61166.1000109.7S26 Q232 N255 L256S26-I288 PolarHBondContact O-N 2.79Å; Q232-I288 HydrophobicContact CG-CG2 4.14Å; N255-I288 PolarHBondContact OD1-O 2.93Å; N255-I288 VanDerWaalsContact OD1-O 3.07Å; L256-I288 PolarHBondContact N-O 3.29Å
289S87.5Confident71.3Confident0 Ų054.2 Ų54.20%029%0.287CS..EExtended strand (participates in β ladder)trans-156.5165.4-176.746.30000111.5S26 Q231 F254S26-S289 WeakPolarHBondContact CB-OG 3.46Å; S26-S289 PolarHBondContact N-O 2.78Å; S26-S289 PolarHBondContact O-N 2.69Å; Q231-S289 PolarHBondContact O-OG 2.64Å; F254-S289 CarbonylContact O-C 3.6Å; F254-S289 WeakPolarHBondContact O-CA 3.38Å; F254-S289 WeakPolarHBondContact O-CB 3.4Å
290F91.5Very high74.1Confident1 Ų148 Ų480%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-143164.1174.972.8-78.8000110.7L23 S24 A253 F254 L256 M287 V292 G316 V319 R320 L329L23-F290 HydrophobicContact CD1-CD2 4.1Å; S24-F290 CarbonylContact O-C 3.54Å; S24-F290 VanDerWaalsContact O-CA 3.25Å; S24-F290 WeakPolarHBondContact O-CA 3.25Å; S24-F290 WeakPolarHBondContact O-CB 3.45Å; A253-F290 CarbonylContact C-O 3.59Å; A253-F290 VanDerWaalsContact CA-O 3.29Å; A253-F290 WeakPolarHBondContact CA-O 3.49Å; F254-F290 HydrophobicContact CB-CD1 4.02Å; F254-F290 HydrophobicContact CB-CE1 3.53Å; F254-F290 HydrophobicContact CB-CZ 3.82Å; F254-F290 HydrophobicContact CD2-CE2 4.37Å; F254-F290 HydrophobicContact CD2-CZ 4.2Å; F254-F290 HydrophobicContact CG-CE1 4.33Å; F254-F290 HydrophobicContact CG-CZ 4.14Å; F254-F290 PolarHBondContact N-O 3.33Å; F254-F290 PolarHBondContact O-N 2.77Å; L256-F290 HydrophobicContact CD1-CD1 4.2Å; L256-F290 HydrophobicContact CD2-CD1 3.69Å; L256-F290 HydrophobicContact CD2-CE1 3.54Å; L256-F290 HydrophobicContact CG-CD1 3.93Å; L256-F290 HydrophobicContact CG-CE1 4.29Å; M287-F290 HydrophobicContact CE-CB 4.11Å; F290-V292 HydrophobicContact CD2-CG2 4.23Å; F290-V292 HydrophobicContact CE2-CG2 4.03Å; F290-G316 WeakPolarHBondContact CZ-O 3.42Å; F290-V319 HydrophobicContact CD2-CG1 4.48Å; F290-V319 HydrophobicContact CE2-CB 3.93Å; F290-V319 HydrophobicContact CE2-CG1 3.75Å; F290-V319 HydrophobicContact CZ-CB 3.93Å; F290-V319 HydrophobicContact CZ-CG1 3.83Å; F290-R320 HydrophobicContact CE1-CB 4.09Å; F290-R320 HydrophobicContact CZ-CB 4.12Å; F290-L329 HydrophobicContact CB-CD2 3.84Å; F290-L329 HydrophobicContact CD1-CD2 3.6Å; F290-L329 HydrophobicContact CD2-CD2 3.82Å; F290-L329 HydrophobicContact CE1-CD2 4.04Å; F290-L329 HydrophobicContact CE2-CD2 4.24Å; F290-L329 HydrophobicContact CG-CD2 3.47Å; F290-L329 VanDerWaalsContact CG-CD2 3.47Å; F290-L329 HydrophobicContact CZ-CD2 4.34Å
291T91.9Very high76.9Confident0 Ų043.3 Ų43.30%023%0.231CC..EExtended strand (participates in β ladder)trans-132.3133.9178.1-65.90000110.3F22 L23 S24 L229 I240 A253F22-T291 HydrophobicContact CE2-CG2 3.85Å; F22-T291 HydrophobicContact CZ-CG2 4.43Å; L23-T291 WeakPolarHBondContact CA-O 3.39Å; S24-T291 PolarHBondContact N-O 3.38Å; S24-T291 PolarHBondContact O-N 3.01Å; L229-T291 HydrophobicContact CD2-CG2 4.44Å; I240-T291 HydrophobicContact CD1-CG2 3.38Å; A253-T291 WeakPolarHBondContact CB-OG1 3.22Å
292V93.7Very high79.3Confident0 Ų041.6 Ų41.60%023%0.232CC..EExtended strand (participates in β ladder)trans-111.5134.4164.5178.90000107.9L23 G251 A252 F290 I315L23-V292 HydrophobicContact CD1-CG2 3.83Å; G251-V292 VanDerWaalsContact CA-O 3.29Å; G251-V292 WeakPolarHBondContact CA-O 3.42Å; A252-V292 PolarHBondContact N-O 3.25Å; A252-V292 PolarHBondContact O-N 2.66Å; A252-V292 VanDerWaalsContact O-N 3.15Å; F290-V292 HydrophobicContact CD2-CG2 4.23Å; F290-V292 HydrophobicContact CE2-CG2 4.03Å; V292-I315 HydrophobicContact CG1-CB 4.25Å; V292-I315 HydrophobicContact CG1-CD1 4.26Å; V292-I315 HydrophobicContact CG1-CG2 3.96Å; V292-I315 HydrophobicContact CG2-CG2 4.19Å
293G93.3Very high81.5Confident0 Ų036.9 Ų36.90%021%0.21CC..EExtended strand (participates in β ladder)trans-156169177.500000114.4I21 F22 I250I21-G293 WeakPolarHBondContact CA-O 3.29Å; I21-G293 WeakPolarHBondContact CG1-O 3.48Å; F22-G293 VanDerWaalsContact CD1-C 3.46Å; F22-G293 VanDerWaalsContact CD1-O 3.29Å; F22-G293 WeakPolarHBondContact CD1-O 3.37Å; F22-G293 PolarHBondContact N-O 3.36Å; F22-G293 PolarHBondContact O-N 3.42Å; F22-G293 VanDerWaalsContact O-N 3.08Å; I250-G293 CarbonylContact O-C 3.59Å; I250-G293 WeakPolarHBondContact O-CA 3.4Å
294F94.7Very high84.3Confident0 Ų032.8 Ų32.80%018%0.181CC..EExtended strand (participates in β ladder)trans-118.7151.5177.3-64-82.9000110.4P18 G20 I21 I250 L308 L311 I315 L468P18-F294 HydrophobicContact CB-CB 4.17Å; P18-F294 HydrophobicContact CB-CD1 3.86Å; P18-F294 HydrophobicContact CB-CG 4.38Å; P18-F294 HydrophobicContact CG-CD1 4.15Å; G20-F294 WeakPolarHBondContact O-CA 3.29Å; I21-F294 HydrophobicContact CB-CD1 4.01Å; I21-F294 HydrophobicContact CB-CE1 3.98Å; I21-F294 HydrophobicContact CD1-CD1 4.35Å; I21-F294 HydrophobicContact CD1-CE1 3.58Å; I21-F294 HydrophobicContact CD1-CZ 3.77Å; I21-F294 HydrophobicContact CG1-CD1 3.94Å; I21-F294 HydrophobicContact CG1-CE1 3.69Å; I21-F294 HydrophobicContact CG1-CZ 4.17Å; I250-F294 HydrophobicContact CG1-CB 4.11Å; I250-F294 PolarHBondContact N-O 3.45Å; I250-F294 PolarHBondContact O-N 2.85Å; F294-L308 HydrophobicContact CD2-CB 4.35Å; F294-L311 HydrophobicContact CE1-CD2 4.36Å; F294-L311 HydrophobicContact CE2-CB 4.23Å; F294-L311 HydrophobicContact CE2-CD2 3.87Å; F294-L311 HydrophobicContact CE2-CG 3.86Å; F294-L311 HydrophobicContact CZ-CD2 3.48Å; F294-L311 VanDerWaalsContact CZ-CD2 3.48Å; F294-L311 HydrophobicContact CZ-CG 3.8Å; F294-I315 HydrophobicContact CE2-CD1 4.37Å; F294-I315 HydrophobicContact CZ-CD1 4.01Å; F294-L468 HydrophobicContact CD1-CD1 4.49Å; F294-L468 HydrophobicContact CE1-CD1 4.48Å
295L93.5Very high86.8Confident0 Ų023.5 Ų23.50%015%0.147CC..EExtended strand (participates in β ladder)trans-103.1128.6170.8-174.150.4000109.8P18 R19 G20 W36 I217 E218 N247 F249P18-L295 CarbonylContact C-O 3.57Å; P18-L295 WeakPolarHBondContact CA-O 3.35Å; R19-L295 HydrophobicContact CB-CB 4.37Å; R19-L295 HydrophobicContact CB-CG 4.25Å; R19-L295 PolarHBondContact N-O 2.9Å; G20-L295 PolarHBondContact O-N 3.48Å; W36-L295 HydrophobicContact CH2-CB 3.88Å; W36-L295 HydrophobicContact CH2-CD2 3.65Å; W36-L295 HydrophobicContact CH2-CG 4.38Å; W36-L295 HydrophobicContact CZ2-CD2 4.35Å; W36-L295 HydrophobicContact CZ3-CB 3.98Å; W36-L295 HydrophobicContact CZ3-CD2 4.22Å; I217-L295 HydrophobicContact CG2-CD2 3.69Å; E218-L295 HydrophobicContact CG-CD2 4.09Å; E218-L295 WeakPolarHBondContact OE2-CD2 3.43Å; N247-L295 HydrophobicContact CB-CD1 3.86Å; F249-L295 HydrophobicContact CD1-CD1 3.88Å; F249-L295 HydrophobicContact CD2-CD1 3.9Å; F249-L295 HydrophobicContact CE1-CD1 3.71Å; F249-L295 HydrophobicContact CE1-CD2 4.06Å; F249-L295 HydrophobicContact CE1-CG 4.35Å; F249-L295 HydrophobicContact CE2-CD1 3.72Å; F249-L295 HydrophobicContact CG-CD1 3.97Å; F249-L295 HydrophobicContact CZ-CD1 3.63Å; F249-L295 HydrophobicContact CZ-CD2 4.08Å; F249-L295 HydrophobicContact CZ-CG 4.48Å
296M92.9Very high88.6Confident0 Ų020.7 Ų20.70%013%0.131CC..EExtended strand (participates in β ladder)trans-123.6158.4-179.1-67.5-62.4-58.300110.7P18 N247 I248 I250 A300 V304 L305 L308P18-M296 WeakPolarHBondContact CA-SD 3.46Å; P18-M296 HydrophobicContact CB-SD 3.96Å; N247-M296 CarbonylContact C-O 3.56Å; N247-M296 WeakPolarHBondContact CA-O 3.15Å; I248-M296 HydrophobicContact CB-CB 4.34Å; I248-M296 PolarHBondContact N-O 3.1Å; I248-M296 PolarHBondContact O-N 3.24Å; I250-M296 HydrophobicContact CD1-CG 3.87Å; I250-M296 HydrophobicContact CG1-CG 4.29Å; M296-A300 HydrophobicContact CB-CB 4.07Å; M296-A300 HydrophobicContact CE-CB 3.57Å; M296-V304 HydrophobicContact CE-CG1 3.82Å; M296-L305 HydrophobicContact CB-CD2 4.05Å; M296-L305 HydrophobicContact CG-CD2 3.9Å; M296-L308 HydrophobicContact CE-CD1 4.03Å; M296-L308 HydrophobicContact CG-CD1 4.19Å; M296-L308 HydrophobicContact SD-CD1 3.29Å; M296-L308 WeakPolarHBondContact SD-CD1 3.43Å
297D90.7Very high89.9Confident20 Ų2018.8 Ų18.811%0.10712%0.117CC..EExtended strand (participates in β ladder)trans-72.2149.7168.2-169.2-68.8000110.9K14 H246 S299 A300K14-D297 HydrophobicContact CB-CB 4.34Å; K14-D297 WeakPolarHBondContact O-CB 3.28Å; H246-D297 CarbonylContact O-C 3.39Å; D297-S299 VanDerWaalsContact CG-OG 3.28Å; D297-S299 PolarHBondContact O-N 2.77Å; D297-S299 VanDerWaalsContact O-N 3.08Å; D297-S299 WeakPolarHBondContact OD1-CB 3.36Å; D297-S299 PolarHBondContact OD1-N 3.12Å; D297-S299 PolarHBondContact OD1-OG 3.49Å; D297-A300 WeakPolarHBondContact O-CB 3.48Å; D297-A300 PolarHBondContact O-N 2.96Å
298S89.7Confident90.9Very high35 Ų3518.3 Ų18.325%0.24512%0.115CC..THydrogen-bonded Turntrans-56-19.1175.161.70000115.8H246H246-S298 WeakPolarHBondContact O-CB 3.38Å; H246-S298 PolarHBondContact O-N 3.12Å; H246-S298 PolarHBondContact O-OG 3.09Å
299S90.1Very high91.5Very high57 Ų5715.9 Ų15.940%0.39910%0.103SC..THydrogen-bonded Turntrans-80.6-11.8174.854.40000114.3D297D297-S299 VanDerWaalsContact CG-OG 3.28Å; D297-S299 PolarHBondContact O-N 2.77Å; D297-S299 VanDerWaalsContact O-N 3.08Å; D297-S299 WeakPolarHBondContact OD1-CB 3.36Å; D297-S299 PolarHBondContact OD1-N 3.12Å; D297-S299 PolarHBondContact OD1-OG 3.49Å
300A90.6Very high91.7Very high8 Ų817.3 Ų17.37%0.06611%0.11CC..  trans-63.1129.2-175.300000112.9E15 M296 D297 L305E15-A300 WeakPolarHBondContact O-CA 3.02Å; E15-A300 WeakPolarHBondContact O-CB 3.37Å; M296-A300 HydrophobicContact CB-CB 4.07Å; M296-A300 HydrophobicContact CE-CB 3.57Å; D297-A300 WeakPolarHBondContact O-CB 3.48Å; D297-A300 PolarHBondContact O-N 2.96Å; A300-L305 HydrophobicContact CB-CD2 3.86Å; A300-L305 HydrophobicContact CB-CG 4.17Å; A300-L305 VanDerWaalsContact O-CD1 3.3Å; A300-L305 WeakPolarHBondContact O-CD1 3.42Å
301P89.4Confident91.9Very high24 Ų2417.2 Ų17.216%0.15611%0.109CC..  trans-80.8153.9-172.529.7-31.3000112.6W11 E15 S303 V304 L305W11-P301 HydrophobicContact CH2-CG 3.83Å; W11-P301 HydrophobicContact CZ2-CB 4.06Å; W11-P301 HydrophobicContact CZ2-CG 3.29Å; E15-P301 WeakPolarHBondContact O-CD 3.17Å; P301-S303 PolarHBondContact O-N 3.44Å; P301-V304 HydrophobicContact CG-CB 4.22Å; P301-V304 HydrophobicContact CG-CG2 3.85Å; P301-V304 PolarHBondContact O-N 3.25Å; P301-V304 VanDerWaalsContact O-N 3.08Å; P301-L305 WeakPolarHBondContact O-CG 3.35Å; P301-L305 PolarHBondContact O-N 3.31Å; P301-L305 VanDerWaalsContact O-N 3.11Å
302P90.1Very high92.1Very high107 Ų10717.2 Ų17.270%0.69511%0.109SC*.Hα-helixtrans-54-30.6-175.3-29.536.3000115.7S306P302-S306 WeakPolarHBondContact O-CB 3.46Å; P302-S306 PolarHBondContact O-N 3.09Å
303S87.4Confident92.1Very high31 Ų3119.6 Ų19.622%0.21712%0.118CC..Hα-helixtrans-64.4-52.5175.851.90000112.1P301 L305 S306 Y307P301-S303 PolarHBondContact O-N 3.44Å; S303-L305 VanDerWaalsContact C-N 3.34Å; S303-L305 PolarHBondContact O-N 3.19Å; S303-S306 PolarHBondContact O-N 2.97Å; S303-Y307 VanDerWaalsContact O-CD2 3.31Å; S303-Y307 WeakPolarHBondContact O-CD2 3.49Å; S303-Y307 PolarHBondContact O-N 3.11Å
304V90.2Very high92.1Very high0 Ų021 Ų210%013%0.126CC..Hα-helixtrans-58.3-47.3176171.70000110.3W11 I16 M296 P301 S306 Y307 L308W11-V304 HydrophobicContact CH2-CG2 3.71Å; W11-V304 HydrophobicContact CZ3-CG2 3.67Å; I16-V304 HydrophobicContact CG2-CG2 4.41Å; I16-V304 WeakPolarHBondContact O-CG1 3.23Å; M296-V304 HydrophobicContact CE-CG1 3.82Å; P301-V304 HydrophobicContact CG-CB 4.22Å; P301-V304 HydrophobicContact CG-CG2 3.85Å; P301-V304 PolarHBondContact O-N 3.25Å; P301-V304 VanDerWaalsContact O-N 3.08Å; V304-S306 VanDerWaalsContact C-N 3.27Å; V304-S306 PolarHBondContact O-N 2.85Å; V304-Y307 PolarHBondContact O-N 3.03Å; V304-L308 HydrophobicContact CG1-CD1 3.89Å; V304-L308 HydrophobicContact CG1-CG 4.49Å; V304-L308 PolarHBondContact O-N 3.26Å
305L92.7Very high92.2Very high14 Ų1421 Ų217%0.07313%0.126CC..Hα-helixtrans-59.1-37.2178.4-64.1172000112.2Y241 I248 I250 M296 A300 P301 S303 T309Y241-L305 HydrophobicContact CE2-CD1 4.13Å; I248-L305 HydrophobicContact CD1-CD1 4.31Å; I248-L305 HydrophobicContact CG2-CD2 4.36Å; I250-L305 HydrophobicContact CD1-CD2 3.94Å; I250-L305 HydrophobicContact CG2-CD2 3.99Å; M296-L305 HydrophobicContact CB-CD2 4.05Å; M296-L305 HydrophobicContact CG-CD2 3.9Å; A300-L305 HydrophobicContact CB-CD2 3.86Å; A300-L305 HydrophobicContact CB-CG 4.17Å; A300-L305 VanDerWaalsContact O-CD1 3.3Å; A300-L305 WeakPolarHBondContact O-CD1 3.42Å; P301-L305 WeakPolarHBondContact O-CG 3.35Å; P301-L305 PolarHBondContact O-N 3.31Å; P301-L305 VanDerWaalsContact O-N 3.11Å; S303-L305 VanDerWaalsContact C-N 3.34Å; S303-L305 PolarHBondContact O-N 3.19Å; L305-T309 PolarHBondContact O-N 3Å; L305-T309 PolarHBondContact O-OG1 2.89Å
306S92.4Very high92.1Very high15 Ų1521 Ų2111%0.10513%0.126CC..Hα-helixtrans-70.4-45.1175.6-157.90000112.4P302 S303 V304 L308 T309 E310P302-S306 WeakPolarHBondContact O-CB 3.46Å; P302-S306 PolarHBondContact O-N 3.09Å; S303-S306 PolarHBondContact O-N 2.97Å; V304-S306 VanDerWaalsContact C-N 3.27Å; V304-S306 PolarHBondContact O-N 2.85Å; S306-L308 PolarHBondContact O-N 3.11Å; S306-T309 WeakPolarHBondContact O-CB 3.23Å; S306-T309 PolarHBondContact O-N 3.32Å; S306-E310 PolarHBondContact O-N 2.79Å
307Y92Very high92.1Very high16 Ų1622.2 Ų22.26%0.06313%0.134CC..Hα-helixtrans-58.5-44.9175.6-89.2-75000112.1S303 V304 E310 L311 F489 L491 P492 H493 P513S303-Y307 VanDerWaalsContact O-CD2 3.31Å; S303-Y307 WeakPolarHBondContact O-CD2 3.49Å; S303-Y307 PolarHBondContact O-N 3.11Å; V304-Y307 PolarHBondContact O-N 3.03Å; Y307-E310 PolarHBondContact O-N 2.74Å; Y307-L311 PolarHBondContact O-N 3.16Å; Y307-F489 HydrophobicContact CD1-CE2 4.31Å; Y307-F489 HydrophobicContact CD1-CZ 4.12Å; Y307-F489 WeakPolarHBondContact O-CE2 3.27Å; Y307-F489 WeakPolarHBondContact O-CZ 3.39Å; Y307-L491 HydrophobicContact CG-CD1 4.31Å; Y307-P492 HydrophobicContact CE1-CG 3.87Å; Y307-H493 AromaticContact CD2-CE1 3.77Å; Y307-P513 HydrophobicContact CE2-CB 4.22Å; Y307-P513 HydrophobicContact CE2-CG 4.11Å
308L93.6Very high92.2Very high0 Ų021.9 Ų21.90%013%0.132CC..Hα-helixtrans-72.6-27.7177.6-69.5174000113.1I250 F294 M296 V304 S306 L311 S312 V471I250-L308 HydrophobicContact CD1-CB 3.48Å; I250-L308 VanDerWaalsContact CD1-CB 3.48Å; I250-L308 HydrophobicContact CD1-CD1 4.28Å; F294-L308 HydrophobicContact CD2-CB 4.35Å; M296-L308 HydrophobicContact CE-CD1 4.03Å; M296-L308 HydrophobicContact CG-CD1 4.19Å; M296-L308 HydrophobicContact SD-CD1 3.29Å; M296-L308 WeakPolarHBondContact SD-CD1 3.43Å; V304-L308 HydrophobicContact CG1-CD1 3.89Å; V304-L308 HydrophobicContact CG1-CG 4.49Å; V304-L308 PolarHBondContact O-N 3.26Å; S306-L308 PolarHBondContact O-N 3.11Å; L308-L311 HydrophobicContact CD2-CD2 4.21Å; L308-S312 PolarHBondContact O-N 3.03Å; L308-V471 HydrophobicContact CD2-CG1 4.11Å
309T94.2Very high92.4Very high5 Ų520.2 Ų20.23%0.03112%0.12CC..Hα-helixtrans-60.1-50.5166.2-50.80000109.9K239 L305 S306 L311 S312 R313K239-T309 HydrophobicContact CD-CG2 3.74Å; K239-T309 VanDerWaalsContact CE-CG2 3.5Å; K239-T309 WeakPolarHBondContact CE-OG1 3.45Å; K239-T309 HydrophobicContact CG-CG2 3.83Å; K239-T309 PolarHBondContact NZ-OG1 2.71Å; L305-T309 PolarHBondContact O-N 3Å; L305-T309 PolarHBondContact O-OG1 2.89Å; S306-T309 WeakPolarHBondContact O-CB 3.23Å; S306-T309 PolarHBondContact O-N 3.32Å; T309-L311 VanDerWaalsContact C-N 3.29Å; T309-L311 PolarHBondContact O-N 3.02Å; T309-S312 PolarHBondContact O-N 2.96Å; T309-S312 PolarHBondContact O-OG 3.03Å; T309-R313 PolarHBondContact O-N 3.08Å
310E92.2Very high92.4Very high30 Ų3018.2 Ų18.214%0.1410%0.104CC..Hα-helixtrans-63.7-34.8-178.4-75.6-60.3106.800112.3S306 Y307 R313 L314S306-E310 PolarHBondContact O-N 2.79Å; Y307-E310 PolarHBondContact O-N 2.74Å; E310-R313 PolarHBondContact O-N 3.11Å; E310-R313 IonicContact OE1-NE 2.79Å; E310-R313 PolarHBondContact OE1-NE 3.32Å; E310-R313 VanDerWaalsContact OE1-NE 3.11Å; E310-R313 IonicContact OE2-CZ 2.64Å; E310-R313 IonicContact OE2-NE 3.56Å; E310-R313 PolarHBondContact OE2-NE 3.2Å; E310-R313 IonicContact OE2-NH2 2.77Å; E310-R313 PolarHBondContact OE2-NH2 3.31Å; E310-L314 VanDerWaalsContact O-CG 3.29Å; E310-L314 WeakPolarHBondContact O-CG 3.43Å; E310-L314 PolarHBondContact O-N 2.69Å
311L95.2Very high92.4Very high0 Ų022.6 Ų22.60%012%0.119CC..Hα-helixtrans-59.9-49.3168.5176.457.1000111.7F294 Y307 L308 T309 R313 L314 I315 I467 V471 V477 V487 F489F294-L311 HydrophobicContact CE1-CD2 4.36Å; F294-L311 HydrophobicContact CE2-CB 4.23Å; F294-L311 HydrophobicContact CE2-CD2 3.87Å; F294-L311 HydrophobicContact CE2-CG 3.86Å; F294-L311 HydrophobicContact CZ-CD2 3.48Å; F294-L311 VanDerWaalsContact CZ-CD2 3.48Å; F294-L311 HydrophobicContact CZ-CG 3.8Å; Y307-L311 PolarHBondContact O-N 3.16Å; L308-L311 HydrophobicContact CD2-CD2 4.21Å; T309-L311 VanDerWaalsContact C-N 3.29Å; T309-L311 PolarHBondContact O-N 3.02Å; L311-R313 PolarHBondContact O-N 2.95Å; L311-L314 PolarHBondContact O-N 2.98Å; L311-L314 VanDerWaalsContact O-N 3.15Å; L311-I315 HydrophobicContact CD1-CD1 3.9Å; L311-I315 HydrophobicContact CD1-CG1 4.02Å; L311-I315 HydrophobicContact CG-CD1 3.9Å; L311-I315 HydrophobicContact CG-CG1 4.46Å; L311-I315 VanDerWaalsContact O-CG1 3.27Å; L311-I315 WeakPolarHBondContact O-CG1 3.33Å; L311-I315 PolarHBondContact O-N 2.75Å; L311-I467 HydrophobicContact CD1-CG2 4.25Å; L311-I467 HydrophobicContact CD2-CG2 4.26Å; L311-V471 HydrophobicContact CD2-CG2 3.46Å; L311-V471 VanDerWaalsContact CD2-CG2 3.46Å; L311-V477 HydrophobicContact CD1-CG2 4.41Å; L311-V477 HydrophobicContact CD2-CG2 4.49Å; L311-V487 HydrophobicContact CD1-CG1 4.05Å; L311-F489 HydrophobicContact CB-CD1 4.1Å; L311-F489 HydrophobicContact CB-CD2 4.04Å; L311-F489 HydrophobicContact CB-CE1 3.98Å; L311-F489 HydrophobicContact CB-CE2 3.92Å; L311-F489 HydrophobicContact CB-CG 4.13Å; L311-F489 HydrophobicContact CB-CZ 3.89Å; L311-F489 HydrophobicContact CD1-CB 3.79Å; L311-F489 HydrophobicContact CD1-CD1 3.96Å; L311-F489 HydrophobicContact CD1-CD2 4.35Å; L311-F489 HydrophobicContact CD1-CG 3.78Å; L311-F489 HydrophobicContact CD2-CD1 3.93Å; L311-F489 HydrophobicContact CD2-CE1 4.03Å; L311-F489 HydrophobicContact CG-CD1 4.21Å; L311-F489 HydrophobicContact CG-CE1 4.44Å; L311-F489 HydrophobicContact CG-CG 4.36Å
312S94.9Very high92.4Very high0 Ų021.5 Ų21.50%011%0.111CC..Hα-helixtrans-59.8-36177.874.60000112.5G251 A252 L308 T309 G316G251-S312 VanDerWaalsContact C-OG 3.28Å; G251-S312 VanDerWaalsContact CA-OG 3.3Å; G251-S312 WeakPolarHBondContact CA-OG 3.35Å; A252-S312 PolarHBondContact N-OG 3.31Å; L308-S312 PolarHBondContact O-N 3.03Å; T309-S312 PolarHBondContact O-N 2.96Å; T309-S312 PolarHBondContact O-OG 3.03Å; S312-G316 PolarHBondContact O-N 2.7Å
313R94.6Very high92.4Very high50 Ų5016.4 Ų16.419%0.1898%0.079CC..Hα-helixtrans-66.7-44.6174.8-169.2-174.966.879.4-1.2111.5A252 F254 T309 E310 L311 G316 S317A252-R313 HydrophobicContact CB-CB 4.49Å; F254-R313 HydrophobicContact CZ-CG 4.1Å; F254-R313 WeakPolarHBondContact CZ-O 3.31Å; T309-R313 PolarHBondContact O-N 3.08Å; E310-R313 PolarHBondContact O-N 3.11Å; E310-R313 IonicContact OE1-NE 2.79Å; E310-R313 PolarHBondContact OE1-NE 3.32Å; E310-R313 VanDerWaalsContact OE1-NE 3.11Å; E310-R313 IonicContact OE2-CZ 2.64Å; E310-R313 IonicContact OE2-NE 3.56Å; E310-R313 PolarHBondContact OE2-NE 3.2Å; E310-R313 IonicContact OE2-NH2 2.77Å; E310-R313 PolarHBondContact OE2-NH2 3.31Å; L311-R313 PolarHBondContact O-N 2.95Å; R313-G316 PolarHBondContact O-N 3.39Å; R313-S317 VanDerWaalsContact O-CB 3.32Å; R313-S317 WeakPolarHBondContact O-CB 3.39Å; R313-S317 PolarHBondContact O-N 2.65Å; R313-S317 PolarHBondContact O-OG 3.05Å
314L93.6Very high92.4Very high29 Ų2917.2 Ų17.215%0.1528%0.08CC..Hα-helixtrans-62.8-43.6177.3-73.2169.5000112.2E310 L311 Q318 F489E310-L314 VanDerWaalsContact O-CG 3.29Å; E310-L314 WeakPolarHBondContact O-CG 3.43Å; E310-L314 PolarHBondContact O-N 2.69Å; L311-L314 PolarHBondContact O-N 2.98Å; L311-L314 VanDerWaalsContact O-N 3.15Å; L314-Q318 WeakPolarHBondContact O-CG 3.41Å; L314-Q318 PolarHBondContact O-N 3.2Å; L314-F489 HydrophobicContact CD1-CD2 4.01Å
315I95.6Very high92.2Very high0 Ų021.3 Ų21.30%011%0.105CC..Hα-helixtrans-60-57.1175.5-62.4164.8000109.5I21 V292 F294 L311 S317 Q318 V319 L464 I467 I481 V487I21-I315 HydrophobicContact CD1-CD1 4.31Å; V292-I315 HydrophobicContact CG1-CB 4.25Å; V292-I315 HydrophobicContact CG1-CD1 4.26Å; V292-I315 HydrophobicContact CG1-CG2 3.96Å; V292-I315 HydrophobicContact CG2-CG2 4.19Å; F294-I315 HydrophobicContact CE2-CD1 4.37Å; F294-I315 HydrophobicContact CZ-CD1 4.01Å; L311-I315 HydrophobicContact CD1-CD1 3.9Å; L311-I315 HydrophobicContact CD1-CG1 4.02Å; L311-I315 HydrophobicContact CG-CD1 3.9Å; L311-I315 HydrophobicContact CG-CG1 4.46Å; L311-I315 VanDerWaalsContact O-CG1 3.27Å; L311-I315 WeakPolarHBondContact O-CG1 3.33Å; L311-I315 PolarHBondContact O-N 2.75Å; I315-S317 VanDerWaalsContact C-N 3.3Å; I315-S317 PolarHBondContact O-N 2.97Å; I315-Q318 PolarHBondContact O-N 3.1Å; I315-V319 HydrophobicContact CG2-CG2 4.19Å; I315-V319 WeakPolarHBondContact O-CG2 3.43Å; I315-V319 PolarHBondContact O-N 2.91Å; I315-L464 HydrophobicContact CG2-CD2 3.78Å; I315-I467 HydrophobicContact CD1-CD1 4.28Å; I315-I467 HydrophobicContact CD1-CG2 3.91Å; I315-I467 HydrophobicContact CG1-CD1 4.16Å; I315-I481 HydrophobicContact CG2-CD1 3.96Å; I315-V487 HydrophobicContact CG1-CG1 4.03Å; I315-V487 HydrophobicContact CG1-CG2 4.48Å
316G92.8Very high92Very high0 Ų025.2 Ų25.20%012%0.121CC..Hα-helixtrans-61.1-35.8-17800000113.4F254 F290 S312 R313 Q318 V319 R320F254-G316 VanDerWaalsContact CE2-CA 3.48Å; F290-G316 WeakPolarHBondContact CZ-O 3.42Å; S312-G316 PolarHBondContact O-N 2.7Å; R313-G316 PolarHBondContact O-N 3.39Å; G316-Q318 PolarHBondContact O-N 3.07Å; G316-V319 PolarHBondContact O-N 2.94Å; G316-R320 VanDerWaalsContact O-CB 3.32Å; G316-R320 WeakPolarHBondContact O-CB 3.29Å; G316-R320 PolarHBondContact O-N 3.02Å
317S92.1Very high91.8Very high26 Ų2627.7 Ų27.718%0.18213%0.134CC..Hα-helixtrans-60.8-41.5172.2-69.70000112.9R313 I315 R321R313-S317 VanDerWaalsContact O-CB 3.32Å; R313-S317 WeakPolarHBondContact O-CB 3.39Å; R313-S317 PolarHBondContact O-N 2.65Å; R313-S317 PolarHBondContact O-OG 3.05Å; I315-S317 VanDerWaalsContact C-N 3.3Å; I315-S317 PolarHBondContact O-N 2.97Å; S317-R321 WeakPolarHBondContact O-CD 3.3Å; S317-R321 VanDerWaalsContact O-CG 3.28Å; S317-R321 WeakPolarHBondContact O-CG 3.36Å; S317-R321 PolarHBondContact O-N 2.97Å; S317-R321 VanDerWaalsContact O-N 3.16Å
318Q93.5Very high91.7Very high12 Ų1227.4 Ų27.46%0.05613%0.133CC..Hα-helixtrans-73.2-39.7176.5-64.5-23.2-63.300112.1L314 I315 G316 R320 R321 A322 I481 V487L314-Q318 WeakPolarHBondContact O-CG 3.41Å; L314-Q318 PolarHBondContact O-N 3.2Å; I315-Q318 PolarHBondContact O-N 3.1Å; G316-Q318 PolarHBondContact O-N 3.07Å; Q318-R320 VanDerWaalsContact C-N 3.34Å; Q318-R320 PolarHBondContact O-N 3.25Å; Q318-R321 PolarHBondContact O-N 3.16Å; Q318-R321 VanDerWaalsContact OE1-CD 3.31Å; Q318-A322 PolarHBondContact O-N 3.47Å; Q318-I481 HydrophobicContact CB-CB 4.46Å; Q318-I481 HydrophobicContact CB-CD1 4.12Å; Q318-V487 HydrophobicContact CB-CG2 4.25Å; Q318-V487 HydrophobicContact CG-CG2 3.9Å
319V92.7Very high91.5Very high0 Ų027.5 Ų27.50%013%0.133CC..Hα-helixtrans-60.7-43.4173.9177.20000110.7F290 I315 G316 R321 A322 E323 L329 L460 I481F290-V319 HydrophobicContact CD2-CG1 4.48Å; F290-V319 HydrophobicContact CE2-CB 3.93Å; F290-V319 HydrophobicContact CE2-CG1 3.75Å; F290-V319 HydrophobicContact CZ-CB 3.93Å; F290-V319 HydrophobicContact CZ-CG1 3.83Å; I315-V319 HydrophobicContact CG2-CG2 4.19Å; I315-V319 WeakPolarHBondContact O-CG2 3.43Å; I315-V319 PolarHBondContact O-N 2.91Å; G316-V319 PolarHBondContact O-N 2.94Å; V319-R321 VanDerWaalsContact C-N 3.35Å; V319-R321 PolarHBondContact O-N 2.85Å; V319-A322 PolarHBondContact O-N 3.16Å; V319-E323 WeakPolarHBondContact O-CB 3.39Å; V319-E323 PolarHBondContact O-N 2.91Å; V319-L329 HydrophobicContact CG1-CB 4.1Å; V319-L329 HydrophobicContact CG1-CD1 4Å; V319-L329 HydrophobicContact CG1-CD2 3.78Å; V319-L329 HydrophobicContact CG1-CG 4.18Å; V319-L460 HydrophobicContact CG2-CD1 4.06Å; V319-I481 HydrophobicContact CG2-CD1 3.85Å; V319-I481 HydrophobicContact CG2-CG2 4.23Å
320R91.7Very high91.2Very high16 Ų1630.5 Ų30.56%0.0614%0.144CC..Hα-helixtrans-62.5-39.2176.8-175.4173.2177.3-77.4-6.1112L236 N255 L256 S257 E262 F290 G316 Q318 E323 L324L236-R320 VanDerWaalsContact CD1-CZ 3.41Å; N255-R320 WeakPolarHBondContact O-CD 3.42Å; N255-R320 PolarHBondContact O-NE 2.89Å; L256-R320 HydrophobicContact CD2-CG 4.13Å; S257-R320 PolarHBondContact O-NH2 2.85Å; E262-R320 IonicContact OE1-CZ 3.19Å; E262-R320 IonicContact OE1-NH1 3.5Å; E262-R320 PolarHBondContact OE1-NH1 2.85Å; E262-R320 IonicContact OE1-NH2 2.7Å; E262-R320 IonicContact OE2-CZ 2.75Å; E262-R320 IonicContact OE2-NH1 3.43Å; E262-R320 PolarHBondContact OE2-NH1 3Å; E262-R320 IonicContact OE2-NH2 2.74Å; E262-R320 PolarHBondContact OE2-NH2 3.08Å; F290-R320 HydrophobicContact CE1-CB 4.09Å; F290-R320 HydrophobicContact CZ-CB 4.12Å; G316-R320 VanDerWaalsContact O-CB 3.32Å; G316-R320 WeakPolarHBondContact O-CB 3.29Å; G316-R320 PolarHBondContact O-N 3.02Å; Q318-R320 VanDerWaalsContact C-N 3.34Å; Q318-R320 PolarHBondContact O-N 3.25Å; R320-E323 PolarHBondContact O-N 3.2Å; R320-L324 HydrophobicContact CG-CD1 4.24Å; R320-L324 HydrophobicContact CG-CG 4.5Å; R320-L324 WeakPolarHBondContact O-CG 3.43Å; R320-L324 PolarHBondContact O-N 3.25Å
321R89.4Confident91Very high100 Ų10033.5 Ų33.538%0.37716%0.161SC..Hα-helixtrans-63.5-47.6173.7-71.9163175.1-171.9-7.3111.8S317 Q318 V319 E323 L324 V325 Y485S317-R321 WeakPolarHBondContact O-CD 3.3Å; S317-R321 VanDerWaalsContact O-CG 3.28Å; S317-R321 WeakPolarHBondContact O-CG 3.36Å; S317-R321 PolarHBondContact O-N 2.97Å; S317-R321 VanDerWaalsContact O-N 3.16Å; Q318-R321 PolarHBondContact O-N 3.16Å; Q318-R321 VanDerWaalsContact OE1-CD 3.31Å; V319-R321 VanDerWaalsContact C-N 3.35Å; V319-R321 PolarHBondContact O-N 2.85Å; R321-E323 VanDerWaalsContact C-N 3.27Å; R321-E323 PolarHBondContact O-N 3.08Å; R321-L324 PolarHBondContact O-N 2.87Å; R321-V325 WeakPolarHBondContact O-CG2 3.43Å; R321-V325 PolarHBondContact O-N 3.08Å; R321-V325 VanDerWaalsContact O-N 3.08Å; R321-Y485 HydrophobicContact CB-CD1 4.08Å; R321-Y485 HydrophobicContact CB-CE1 3.78Å
322A90.7Very high90.7Very high0 Ų034.3 Ų34.30%017%0.165CC..Hα-helixtrans-62.9-34.6176.800000112.6Q318 V319 F326 Y328 N482 Y485Q318-A322 PolarHBondContact O-N 3.47Å; V319-A322 PolarHBondContact O-N 3.16Å; A322-F326 WeakPolarHBondContact O-CA 3.2Å; A322-F326 WeakPolarHBondContact O-CB 3.36Å; A322-F326 PolarHBondContact O-N 3.27Å; A322-Y328 HydrophobicContact CB-CD1 3.83Å; A322-Y328 HydrophobicContact CB-CG 4.13Å; A322-Y328 WeakPolarHBondContact O-CB 3.22Å; A322-Y328 PolarHBondContact O-N 3.08Å; A322-N482 HydrophobicContact CB-CB 4.43Å; A322-Y485 HydrophobicContact CB-CD2 3.76Å; A322-Y485 HydrophobicContact CB-CE2 3.59Å
323E89.6Confident90.3Very high1 Ų136 Ų361%0.00517%0.171CC..Hα-helixtrans-70.5-43.617617056.1-167.200112.8L256 V319 R320 R321 N327 Y328 L329 R330L256-E323 HydrophobicContact CD1-CG 3.96Å; L256-E323 HydrophobicContact CD2-CB 4.37Å; L256-E323 HydrophobicContact CD2-CG 3.59Å; L256-E323 HydrophobicContact CG-CG 4.37Å; V319-E323 WeakPolarHBondContact O-CB 3.39Å; V319-E323 PolarHBondContact O-N 2.91Å; R320-E323 PolarHBondContact O-N 3.2Å; R321-E323 VanDerWaalsContact C-N 3.27Å; R321-E323 PolarHBondContact O-N 3.08Å; E323-N327 WeakPolarHBondContact O-CA 3.46Å; E323-N327 PolarHBondContact O-N 3.39Å; E323-N327 WeakPolarHBondContact OE2-CA 3.42Å; E323-Y328 PolarHBondContact OE2-N 3.41Å; E323-L329 HydrophobicContact CB-CB 3.92Å; E323-L329 HydrophobicContact CG-CB 4.06Å; E323-L329 WeakPolarHBondContact OE2-CA 3.2Å; E323-L329 WeakPolarHBondContact OE2-CB 3.23Å; E323-L329 PolarHBondContact OE2-N 2.92Å; E323-R330 WeakPolarHBondContact OE1-CG 3.37Å; E323-R330 IonicContact OE1-CZ 2.95Å; E323-R330 IonicContact OE1-NE 3.83Å; E323-R330 PolarHBondContact OE1-NE 3.3Å; E323-R330 IonicContact OE1-NH2 2.84Å; E323-R330 PolarHBondContact OE1-NH2 3.26Å; E323-R330 PolarHBondContact OE2-N 3.36Å; E323-R330 VanDerWaalsContact OE2-N 3.1Å
324L86.2Confident89.9Confident48 Ų4837.4 Ų37.425%0.25118%0.182SC..Hα-helixtrans-68-36.2177.3-73.3173.8000113.1P258 E262 R320 R321P258-L324 HydrophobicContact CB-CD2 4.33Å; E262-L324 WeakPolarHBondContact OE1-CD1 3.29Å; R320-L324 HydrophobicContact CG-CD1 4.24Å; R320-L324 HydrophobicContact CG-CG 4.5Å; R320-L324 WeakPolarHBondContact O-CG 3.43Å; R320-L324 PolarHBondContact O-N 3.25Å; R321-L324 PolarHBondContact O-N 2.87Å
325V87.2Confident89.6Confident86 Ų8638.9 Ų38.952%0.52119%0.19SC..Hα-helixtrans-88.1-37.1-177.2-179.90000112.6R321R321-V325 WeakPolarHBondContact O-CG2 3.43Å; R321-V325 PolarHBondContact O-N 3.08Å; R321-V325 VanDerWaalsContact O-N 3.08Å
326F87.2Confident89.1Confident95 Ų9539 Ų3942%0.41719%0.19SC..Hα-helixtrans-123.6-1.6-170.9-57.9-72.4000114.9A322 Y328 I484 Y485A322-F326 WeakPolarHBondContact O-CA 3.2Å; A322-F326 WeakPolarHBondContact O-CB 3.36Å; A322-F326 PolarHBondContact O-N 3.27Å; F326-Y328 PolarHBondContact O-N 3.1Å; F326-I484 HydrophobicContact CE2-CD1 3.82Å; F326-I484 HydrophobicContact CZ-CD1 3.92Å; F326-Y485 HydrophobicContact CD2-CE2 4.18Å; F326-Y485 AromaticContact CE2-CE2 3.97Å; F326-Y485 HydrophobicContact CE2-CE2 3.97Å; F326-Y485 WeakPolarHBondContact CE2-OH 3.14Å
327N88Confident88.6Confident68 Ų6839.9 Ų39.936%0.36420%0.196SC..  trans57.523.6-168.5-48.4-88.8000113.3E323 L329 R330 D331E323-N327 WeakPolarHBondContact O-CA 3.46Å; E323-N327 PolarHBondContact O-N 3.39Å; E323-N327 WeakPolarHBondContact OE2-CA 3.42Å; N327-L329 VanDerWaalsContact C-N 3.26Å; N327-L329 PolarHBondContact O-N 2.84Å; N327-L329 VanDerWaalsContact O-N 3.16Å; N327-R330 PolarHBondContact O-N 2.85Å; N327-R330 PolarHBondContact OD1-NH1 2.79Å; N327-R330 PolarHBondContact OD1-NH2 3.45Å; N327-D331 PolarHBondContact O-N 3.26Å; N327-D331 VanDerWaalsContact O-N 3.07Å
328Y91.3Very high88.2Confident10 Ų1041 Ų414%0.03920%0.203CC..Hα-helixtrans-56.2-36.1-170.4176.5-111.9000113.6A322 E323 F326 Q332 S459 L460 E463 I481 N482A322-Y328 HydrophobicContact CB-CD1 3.83Å; A322-Y328 HydrophobicContact CB-CG 4.13Å; A322-Y328 WeakPolarHBondContact O-CB 3.22Å; A322-Y328 PolarHBondContact O-N 3.08Å; E323-Y328 PolarHBondContact OE2-N 3.41Å; F326-Y328 PolarHBondContact O-N 3.1Å; Y328-Q332 HydrophobicContact CD2-CG 4.1Å; Y328-Q332 HydrophobicContact CE1-CG 4.26Å; Y328-Q332 HydrophobicContact CE2-CG 3.64Å; Y328-Q332 WeakPolarHBondContact O-CB 3.46Å; Y328-Q332 VanDerWaalsContact O-CG 3.24Å; Y328-Q332 WeakPolarHBondContact O-CG 3.24Å; Y328-Q332 PolarHBondContact O-N 3.05Å; Y328-S459 PolarHBondContact OH-OG 3.17Å; Y328-L460 HydrophobicContact CE1-CB 4.19Å; Y328-L460 HydrophobicContact CE1-CD1 4.31Å; Y328-L460 WeakPolarHBondContact OH-CA 3.4Å; Y328-L460 PolarHBondContact OH-N 3.42Å; Y328-L460 VanDerWaalsContact OH-N 3.1Å; Y328-E463 PolarHBondContact OH-OE2 3.44Å; Y328-I481 HydrophobicContact CD1-CG2 4.45Å; Y328-I481 HydrophobicContact CE1-CG2 3.99Å; Y328-N482 HydrophobicContact CD1-CB 4.03Å; Y328-N482 HydrophobicContact CD2-CB 3.8Å; Y328-N482 VanDerWaalsContact CD2-CG 3.43Å; Y328-N482 WeakPolarHBondContact CD2-OD1 3.38Å; Y328-N482 HydrophobicContact CE1-CB 3.96Å; Y328-N482 HydrophobicContact CE2-CB 3.75Å; Y328-N482 WeakPolarHBondContact CE2-OD1 3.2Å; Y328-N482 HydrophobicContact CG-CB 3.95Å
329L88.8Confident87.7Confident2 Ų240.9 Ų40.91%0.0120%0.204CC..Hα-helixtrans-77.5-31.7-178.8-176.861.4000111.5L23 M287 F290 V319 E323 N327 R333 L460L23-L329 HydrophobicContact CD2-CD1 4.28Å; M287-L329 HydrophobicContact CE-CD2 3.38Å; M287-L329 HydrophobicContact CE-CG 3.69Å; F290-L329 HydrophobicContact CB-CD2 3.84Å; F290-L329 HydrophobicContact CD1-CD2 3.6Å; F290-L329 HydrophobicContact CD2-CD2 3.82Å; F290-L329 HydrophobicContact CE1-CD2 4.04Å; F290-L329 HydrophobicContact CE2-CD2 4.24Å; F290-L329 HydrophobicContact CG-CD2 3.47Å; F290-L329 VanDerWaalsContact CG-CD2 3.47Å; F290-L329 HydrophobicContact CZ-CD2 4.34Å; V319-L329 HydrophobicContact CG1-CB 4.1Å; V319-L329 HydrophobicContact CG1-CD1 4Å; V319-L329 HydrophobicContact CG1-CD2 3.78Å; V319-L329 HydrophobicContact CG1-CG 4.18Å; E323-L329 HydrophobicContact CB-CB 3.92Å; E323-L329 HydrophobicContact CG-CB 4.06Å; E323-L329 WeakPolarHBondContact OE2-CA 3.2Å; E323-L329 WeakPolarHBondContact OE2-CB 3.23Å; E323-L329 PolarHBondContact OE2-N 2.92Å; N327-L329 VanDerWaalsContact C-N 3.26Å; N327-L329 PolarHBondContact O-N 2.84Å; N327-L329 VanDerWaalsContact O-N 3.16Å; L329-R333 WeakPolarHBondContact O-CB 3.21Å; L329-R333 PolarHBondContact O-N 3.45Å; L329-L460 HydrophobicContact CD1-CD2 3.45Å; L329-L460 VanDerWaalsContact CD1-CD2 3.45Å
330R87.7Confident87.1Confident67 Ų6741.3 Ų41.325%0.25321%0.206SC..Hα-helixtrans-65-48.6170.6-67.7175.4-140.6144.828.7111.5E323 N327 Q332 R333 D334E323-R330 WeakPolarHBondContact OE1-CG 3.37Å; E323-R330 IonicContact OE1-CZ 2.95Å; E323-R330 IonicContact OE1-NE 3.83Å; E323-R330 PolarHBondContact OE1-NE 3.3Å; E323-R330 IonicContact OE1-NH2 2.84Å; E323-R330 PolarHBondContact OE1-NH2 3.26Å; E323-R330 PolarHBondContact OE2-N 3.36Å; E323-R330 VanDerWaalsContact OE2-N 3.1Å; N327-R330 PolarHBondContact O-N 2.85Å; N327-R330 PolarHBondContact OD1-NH1 2.79Å; N327-R330 PolarHBondContact OD1-NH2 3.45Å; R330-Q332 VanDerWaalsContact C-N 3.35Å; R330-Q332 PolarHBondContact O-N 2.91Å; R330-R333 WeakPolarHBondContact O-CB 3.4Å; R330-R333 PolarHBondContact O-N 2.87Å; R330-D334 PolarHBondContact O-N 3.04Å
331D88Confident86.4Confident93 Ų9344.1 Ų44.150%0.49722%0.219SC..Hα-helixtrans-59-46.7179.1-73.7-0.9000111.1N327 D334 I335N327-D331 PolarHBondContact O-N 3.26Å; N327-D331 VanDerWaalsContact O-N 3.07Å; D331-D334 PolarHBondContact O-N 3.45Å; D331-I335 WeakPolarHBondContact O-CD1 3.22Å; D331-I335 VanDerWaalsContact O-CG1 3.28Å; D331-I335 WeakPolarHBondContact O-CG1 3.43Å; D331-I335 PolarHBondContact O-N 3.35Å
332Q89.8Confident85.9Confident18 Ų1845.9 Ų45.98%0.08423%0.23CC..Hα-helixtrans-67.4-39.1176.7-66.9-58.6-63.900112.5Y328 R330 D334 I335 I336 S458 S459 L460Y328-Q332 HydrophobicContact CD2-CG 4.1Å; Y328-Q332 HydrophobicContact CE1-CG 4.26Å; Y328-Q332 HydrophobicContact CE2-CG 3.64Å; Y328-Q332 WeakPolarHBondContact O-CB 3.46Å; Y328-Q332 VanDerWaalsContact O-CG 3.24Å; Y328-Q332 WeakPolarHBondContact O-CG 3.24Å; Y328-Q332 PolarHBondContact O-N 3.05Å; R330-Q332 VanDerWaalsContact C-N 3.35Å; R330-Q332 PolarHBondContact O-N 2.91Å; Q332-D334 PolarHBondContact O-N 3.08Å; Q332-I335 PolarHBondContact O-N 3.33Å; Q332-I336 WeakPolarHBondContact O-CB 3.45Å; Q332-I336 WeakPolarHBondContact O-CD1 3.19Å; Q332-I336 WeakPolarHBondContact O-CG1 3.44Å; Q332-I336 PolarHBondContact O-N 3.23Å; Q332-S458 VanDerWaalsContact OE1-CA 3.28Å; Q332-S458 PolarHBondContact OE1-OG 3.01Å; Q332-S459 PolarHBondContact OE1-OG 2.97Å; Q332-L460 HydrophobicContact CB-CB 4.16Å; Q332-L460 HydrophobicContact CB-CD2 4.31Å; Q332-L460 HydrophobicContact CG-CB 3.95Å
333R86.8Confident84.9Confident35 Ų3548.2 Ų48.213%0.13224%0.239CC..Hα-helixtrans-57.8-47174.4179.3-159.672.9-174.8-2.5111.3L34 T286 L329 R330 I335 I336 V337L34-R333 HydrophobicContact CD1-CB 4.23Å; L34-R333 HydrophobicContact CD1-CG 3.97Å; L34-R333 HydrophobicContact CD2-CG 3.92Å; T286-R333 PolarHBondContact OG1-NH1 3.06Å; T286-R333 PolarHBondContact OG1-NH2 3.17Å; L329-R333 WeakPolarHBondContact O-CB 3.21Å; L329-R333 PolarHBondContact O-N 3.45Å; R330-R333 WeakPolarHBondContact O-CB 3.4Å; R330-R333 PolarHBondContact O-N 2.87Å; R333-I335 VanDerWaalsContact C-N 3.33Å; R333-I335 PolarHBondContact O-N 3.35Å; R333-I336 PolarHBondContact O-N 3.44Å; R333-V337 HydrophobicContact CG-CG2 4.14Å; R333-V337 WeakPolarHBondContact O-CB 3.43Å; R333-V337 WeakPolarHBondContact O-CG2 3.41Å; R333-V337 PolarHBondContact O-N 2.95Å
334D85.5Confident83.8Confident80 Ų8048.5 Ų48.543%0.42824%0.241SC..Hα-helixtrans-71.7-31.4-174.5-68.5-5000111.5R330 D331 Q332 S338R330-D334 PolarHBondContact O-N 3.04Å; D331-D334 PolarHBondContact O-N 3.45Å; Q332-D334 PolarHBondContact O-N 3.08Å; D334-S338 WeakPolarHBondContact O-CB 3.32Å; D334-S338 PolarHBondContact O-N 3.23Å; D334-S338 PolarHBondContact O-OG 3.17Å
335I86.8Confident82.3Confident60 Ų6054 Ų5431%0.30826%0.26SS..Hα-helixtrans-64.2-46167.4-69.4166.4000111.5D331 Q332 R333 S338 T339 I457D331-I335 WeakPolarHBondContact O-CD1 3.22Å; D331-I335 VanDerWaalsContact O-CG1 3.28Å; D331-I335 WeakPolarHBondContact O-CG1 3.43Å; D331-I335 PolarHBondContact O-N 3.35Å; Q332-I335 PolarHBondContact O-N 3.33Å; R333-I335 VanDerWaalsContact C-N 3.33Å; R333-I335 PolarHBondContact O-N 3.35Å; I335-S338 PolarHBondContact O-OG 3.14Å; I335-T339 VanDerWaalsContact O-CB 3.29Å; I335-T339 WeakPolarHBondContact O-CB 3.49Å; I335-T339 PolarHBondContact O-N 2.97Å; I335-T339 VanDerWaalsContact O-N 3.15Å; I335-T339 PolarHBondContact O-OG1 2.64Å; I335-I457 HydrophobicContact CG2-CG2 3.49Å; I335-I457 VanDerWaalsContact CG2-CG2 3.49Å
336I85.4Confident80.6Confident1 Ų152.1 Ų52.11%0.00525%0.254CS..Hα-helixtrans-64.6-51179.7-72.1162.2000111L34 Q332 R333 T339 L340 L454L34-I336 HydrophobicContact CB-CG2 4.27Å; L34-I336 VanDerWaalsContact O-CG2 3.24Å; L34-I336 WeakPolarHBondContact O-CG2 3.4Å; Q332-I336 WeakPolarHBondContact O-CB 3.45Å; Q332-I336 WeakPolarHBondContact O-CD1 3.19Å; Q332-I336 WeakPolarHBondContact O-CG1 3.44Å; Q332-I336 PolarHBondContact O-N 3.23Å; R333-I336 PolarHBondContact O-N 3.44Å; I336-T339 WeakPolarHBondContact O-CB 3.47Å; I336-T339 PolarHBondContact O-N 3.43Å; I336-T339 VanDerWaalsContact O-N 3.11Å; I336-L340 HydrophobicContact CG2-CD1 3.72Å; I336-L340 WeakPolarHBondContact O-CG 3.32Å; I336-L340 PolarHBondContact O-N 3.13Å; I336-L454 HydrophobicContact CB-CD2 4.5Å; I336-L454 HydrophobicContact CG1-CD2 4.48Å; I336-L454 HydrophobicContact CG2-CD2 4.28Å
337V83.1Confident78.6Confident20 Ų2052 Ų5212%0.12126%0.257CS..Hα-helixtrans-62.4-50-178.4168.80000110.8L34 R333 T339 L340 E341L34-V337 HydrophobicContact CD2-CG2 4Å; R333-V337 HydrophobicContact CG-CG2 4.14Å; R333-V337 WeakPolarHBondContact O-CB 3.43Å; R333-V337 WeakPolarHBondContact O-CG2 3.41Å; R333-V337 PolarHBondContact O-N 2.95Å; V337-T339 PolarHBondContact O-N 2.86Å; V337-T339 VanDerWaalsContact O-N 3.1Å; V337-L340 PolarHBondContact O-N 2.96Å; V337-E341 HydrophobicContact CG1-CG 4.35Å; V337-E341 WeakPolarHBondContact CG1-OE1 3.29Å; V337-E341 WeakPolarHBondContact O-CB 3.36Å; V337-E341 WeakPolarHBondContact O-CG 3.31Å; V337-E341 PolarHBondContact O-N 2.67Å
338S83.1Confident76.2Confident48 Ų4853.1 Ų53.134%0.33627%0.267SS..Hα-helixtrans-68.7-8.3177.169.70000113.8D334 I335 K342D334-S338 WeakPolarHBondContact O-CB 3.32Å; D334-S338 PolarHBondContact O-N 3.23Å; D334-S338 PolarHBondContact O-OG 3.17Å; I335-S338 PolarHBondContact O-OG 3.14Å; S338-K342 WeakPolarHBondContact O-CD 3.43Å; S338-K342 WeakPolarHBondContact O-CE 3.42Å; S338-K342 VanDerWaalsContact O-CG 3.27Å; S338-K342 WeakPolarHBondContact O-CG 3.43Å; S338-K342 PolarHBondContact O-NZ 3.21Å
339T83.2Confident73.4Confident11 Ų1159.1 Ų59.17%0.06730%0.299CS..Hα-helixtrans-90.6-45.7169.8-61.60000110.8I335 I336 V337 E341 K342 Y343 L454 I457I335-T339 VanDerWaalsContact O-CB 3.29Å; I335-T339 WeakPolarHBondContact O-CB 3.49Å; I335-T339 PolarHBondContact O-N 2.97Å; I335-T339 VanDerWaalsContact O-N 3.15Å; I335-T339 PolarHBondContact O-OG1 2.64Å; I336-T339 WeakPolarHBondContact O-CB 3.47Å; I336-T339 PolarHBondContact O-N 3.43Å; I336-T339 VanDerWaalsContact O-N 3.11Å; V337-T339 PolarHBondContact O-N 2.86Å; V337-T339 VanDerWaalsContact O-N 3.1Å; T339-E341 PolarHBondContact O-N 3.41Å; T339-K342 PolarHBondContact O-N 3.01Å; T339-Y343 HydrophobicContact CG2-CD2 4.27Å; T339-Y343 HydrophobicContact CG2-CE2 3.88Å; T339-Y343 VanDerWaalsContact O-CD2 3.22Å; T339-Y343 WeakPolarHBondContact O-CD2 3.49Å; T339-Y343 PolarHBondContact O-N 3.21Å; T339-L454 HydrophobicContact CG2-CD2 3.62Å; T339-L454 HydrophobicContact CG2-CG 4.18Å; T339-I457 HydrophobicContact CG2-CD1 4.03Å
340L79.4Confident70.7Confident8 Ų863.7 Ų63.74%0.04233%0.331CS..Hα-helixtrans-58.6-44.3174.5-74.7162.6000112.1I209 I214 I336 V337 K342 Y343 S344 L454I209-L340 HydrophobicContact CD1-CD2 4.06Å; I209-L340 HydrophobicContact CG1-CD2 4.33Å; I209-L340 HydrophobicContact CG2-CD2 4.23Å; I214-L340 HydrophobicContact CG1-CD2 4.35Å; I336-L340 HydrophobicContact CG2-CD1 3.72Å; I336-L340 WeakPolarHBondContact O-CG 3.32Å; I336-L340 PolarHBondContact O-N 3.13Å; V337-L340 PolarHBondContact O-N 2.96Å; L340-K342 VanDerWaalsContact C-N 3.3Å; L340-K342 PolarHBondContact O-N 3.05Å; L340-Y343 PolarHBondContact O-N 2.77Å; L340-Y343 VanDerWaalsContact O-N 3.12Å; L340-S344 PolarHBondContact O-N 2.9Å; L340-S344 VanDerWaalsContact O-N 3.09Å; L340-L454 HydrophobicContact CD2-CD1 3.8Å; L340-L454 HydrophobicContact CG-CD1 4.13Å
341E78.3Confident67.9Low75 Ų7571.7 Ų71.735%0.3536%0.362SS..Hα-helixtrans-60.3-38.4178.5-73170.4-178.600111.8R32 V337 T339 Y343 S344 Y345R32-E341 IonicContact NH1-OE1 3.42Å; R32-E341 PolarHBondContact NH1-OE1 3.15Å; V337-E341 HydrophobicContact CG1-CG 4.35Å; V337-E341 WeakPolarHBondContact CG1-OE1 3.29Å; V337-E341 WeakPolarHBondContact O-CB 3.36Å; V337-E341 WeakPolarHBondContact O-CG 3.31Å; V337-E341 PolarHBondContact O-N 2.67Å; T339-E341 PolarHBondContact O-N 3.41Å; E341-Y343 VanDerWaalsContact C-N 3.33Å; E341-Y343 PolarHBondContact O-N 3.11Å; E341-S344 PolarHBondContact O-N 2.89Å; E341-Y345 WeakPolarHBondContact O-CD2 3.41Å; E341-Y345 PolarHBondContact O-N 2.98Å
342K78.9Confident65Low137 Ų13773 Ų7360%0.59638%0.378SS*.Hα-helixtrans-63.2-35.4175.8-70168.8-171.6123.70112.9S338 T339 L340S338-K342 WeakPolarHBondContact O-CD 3.43Å; S338-K342 WeakPolarHBondContact O-CE 3.42Å; S338-K342 VanDerWaalsContact O-CG 3.27Å; S338-K342 WeakPolarHBondContact O-CG 3.43Å; S338-K342 PolarHBondContact O-NZ 3.21Å; T339-K342 PolarHBondContact O-N 3.01Å; L340-K342 VanDerWaalsContact C-N 3.3Å; L340-K342 PolarHBondContact O-N 3.05Å
343Y69.6Low62Low49 Ų4975.3 Ų75.319%0.19241%0.407CS..Hα-helixtrans-71.4-39.7175.4-76.8-71.2000112T339 L340 E341 Y345 A346 D347 P450 K453T339-Y343 HydrophobicContact CG2-CD2 4.27Å; T339-Y343 HydrophobicContact CG2-CE2 3.88Å; T339-Y343 VanDerWaalsContact O-CD2 3.22Å; T339-Y343 WeakPolarHBondContact O-CD2 3.49Å; T339-Y343 PolarHBondContact O-N 3.21Å; L340-Y343 PolarHBondContact O-N 2.77Å; L340-Y343 VanDerWaalsContact O-N 3.12Å; E341-Y343 VanDerWaalsContact C-N 3.33Å; E341-Y343 PolarHBondContact O-N 3.11Å; Y343-Y345 PolarHBondContact O-N 3.47Å; Y343-A346 WeakPolarHBondContact O-CB 3.32Å; Y343-A346 PolarHBondContact O-N 2.98Å; Y343-D347 PolarHBondContact O-N 3.44Å; Y343-P450 HydrophobicContact CD1-CB 4.09Å; Y343-P450 HydrophobicContact CD2-CB 4.1Å; Y343-P450 HydrophobicContact CE1-CB 4.04Å; Y343-P450 HydrophobicContact CE2-CB 4.07Å; Y343-P450 HydrophobicContact CG-CB 4.12Å; Y343-K453 WeakPolarHBondContact OH-CD 3.28Å; Y343-K453 VanDerWaalsContact OH-CE 3.23Å; Y343-K453 WeakPolarHBondContact OH-CE 3.41Å; Y343-K453 WeakPolarHBondContact OH-CG 3.43Å
344S65.1Low59Low7 Ų782 Ų825%0.04945%0.445CS..Hα-helixtrans-60.6-29179.5-136.70000113.8N211 L340 E341N211-S344 VanDerWaalsContact CA-OG 3.29Å; N211-S344 WeakPolarHBondContact CA-OG 3.41Å; N211-S344 PolarHBondContact N-OG 3.24Å; N211-S344 PolarHBondContact OD1-OG 3.41Å; L340-S344 PolarHBondContact O-N 2.9Å; L340-S344 VanDerWaalsContact O-N 3.09Å; E341-S344 PolarHBondContact O-N 2.89Å
345Y55.6Low56.4Low163 Ų16384 Ų8464%0.63947%0.465SS*.THydrogen-bonded Turntrans-83.4-14.2173-67.3-66.9000114.6E341 Y343 T348 N349E341-Y345 WeakPolarHBondContact O-CD2 3.41Å; E341-Y345 PolarHBondContact O-N 2.98Å; Y343-Y345 PolarHBondContact O-N 3.47Å; Y345-T348 PolarHBondContact O-OG1 3.35Å; Y345-T348 VanDerWaalsContact O-OG1 3.11Å; Y345-N349 PolarHBondContact O-ND2 3.29Å
346A52Low53.5Low48 Ų4887.6 Ų87.640%0.39749%0.49SS..THydrogen-bonded Turntrans-79.8-47.2178.700000111.6Y343 T348 N349Y343-A346 WeakPolarHBondContact O-CB 3.32Å; Y343-A346 PolarHBondContact O-N 2.98Å; A346-T348 PolarHBondContact O-N 3.15Å; A346-T348 VanDerWaalsContact O-N 3.14Å; A346-N349 PolarHBondContact O-N 2.9Å; A346-N349 VanDerWaalsContact O-N 3.15Å
347D43.9Very low50.9Low92 Ų9294 Ų9449%0.49253%0.53SS..THydrogen-bonded Turntrans-64-21.8-176.8-69.3-12.6000113Y343 N349Y343-D347 PolarHBondContact O-N 3.44Å; D347-N349 VanDerWaalsContact C-N 3.35Å; D347-N349 PolarHBondContact O-N 2.89Å
348T39Very low48.2Very low92 Ų9299.8 Ų99.856%0.56456%0.56SS**THydrogen-bonded Turntrans-78.4-11.5178.649.60000114.8Y345 A346Y345-T348 PolarHBondContact O-OG1 3.35Å; Y345-T348 VanDerWaalsContact O-OG1 3.11Å; A346-T348 PolarHBondContact O-N 3.15Å; A346-T348 VanDerWaalsContact O-N 3.14Å
349N32.6Very low45.8Very low135 Ų135108.3 Ų108.372%0.72259%0.587SS**THydrogen-bonded Turntrans-129.51.1-171.3-67.9-74.7000115.4Y345 A346 D347Y345-N349 PolarHBondContact O-ND2 3.29Å; A346-N349 PolarHBondContact O-N 2.9Å; A346-N349 VanDerWaalsContact O-N 3.15Å; D347-N349 VanDerWaalsContact C-N 3.35Å; D347-N349 PolarHBondContact O-N 2.89Å
350S31.4Very low43.3Very low98 Ų98114.5 Ų114.569%0.68562%0.619SS**SBendtrans-121.3-2.5-166.2-163.70000117.5
351W29.5Very low40.9Very low235 Ų235119.6 Ų119.689%0.8965%0.651SS**SBendtrans-1256.8-173.5-96.8-22.5000117.4
352S27.2Very low38.7Very low121 Ų121123.3 Ų123.385%0.84667%0.673SS**  trans-108.680.6171.1590000111.3
353G25.8Very low36.3Very low66 Ų66126.2 Ų126.268%0.6869%0.686SS**  trans-174.259.3-174.300000116.7
354N24.4Very low34.5Very low176 Ų176135.6 Ų135.694%0.94172%0.723SS**  trans-168.370.5154.8-100.8-29.6000112.3
355S29.5Very low32.7Very low121 Ų121138.7 Ų138.785%0.84676%0.755SS**  trans-143.9108.8163.560.60000109.8
356T26Very low31.3Very low136 Ų136136.5 Ų136.583%0.83476%0.764SS**  trans-67.6126.6-177.548.20000112.8
357T32.4Very low30.1Very low137 Ų137142 Ų14284%0.8479%0.786SS**  trans-165.7143.8132.816.90000109.9
358D25.3Very low29.3Very low140 Ų140144.4 Ų144.475%0.74980%0.799SS**  trans-69.4152.6178.5-50.4-95.2000112.7
359Y34Very low28.9Very low228 Ų228147.3 Ų147.389%0.89481%0.811SS**  -169.6149.9110.8-95.1-62.4000111.5
360N29.2Very low28.5Very low140 Ų140148.2 Ų148.275%0.74982%0.815SS**  trans-66.4166176.5-61.4-77.2000111.1
361T30.5Very low28.3Very low116 Ų116153 Ų15371%0.71282%0.824SS**  cis-170172.438.5-29.10000111.8
362N31.9Very low28Very low153 Ų153146.1 Ų146.182%0.81881%0.812SS**  trans8897.2153.3-63.5-28000120.5
363K28Very low27.9Very low198 Ų198149.6 Ų149.686%0.86181%0.812SS**  trans-37.4138.4151.5-63.2166.7170.1175.40114.9
364Y31.3Very low27.8Very low246 Ų246152.4 Ų152.497%0.96582%0.821SS**  -178.9141.3129.2-91-70.6000105.9
365G27.6Very low27.7Very low71 Ų71148.8 Ų148.873%0.73281%0.81SS**  cis-164.1162-10.200000108
366S25.9Very low27.7Very low117 Ų117151 Ų15182%0.81881%0.806SS**  trans-75.6140.5-175.1-49.80000113.1
367D28.1Very low27.5Very low163 Ų163153.9 Ų153.987%0.87281%0.808SS**  trans-139.1130.7156.1-107.1-40.6000110.9
368N25.6Very low27.2Very low143 Ų143155.6 Ų155.677%0.76580%0.804SS**  trans-99.7117.4179.7-76.5-64.1000110.1
369L30.9Very low27.2Very low154 Ų154154.3 Ų154.381%0.80680%0.803SS**  trans-114.483.3168.4-79.2173.6000111.8F371L369-F371 PolarHBondContact O-N 3.05Å
370N24.1Very low26.7Very low153 Ų153151.2 Ų151.282%0.81880%0.802SS**  trans-65.2106.1160.5-77.3-53.5000109.4
371F27.5Very low26.7Very low198 Ų198152.4 Ų152.487%0.86880%0.801SS**  trans-98.2118.9162.5-111-85000110.2L369L369-F371 PolarHBondContact O-N 3.05Å
372S23.5Very low26.4Very low91 Ų91158.1 Ų158.164%0.63681%0.809SS**  trans-117.5152.2-17275.80000112.3
373K24.4Very low26.2Very low195 Ų195161.5 Ų161.585%0.84881%0.812SS**  trans60.7108.8163.7-64.4177.8176.1176.50118.4
374S24.2Very low26.1Very low124 Ų124159.2 Ų159.287%0.86781%0.808SS**  trans-15266.9131.644.40000111.3Q376S374-Q376 PolarHBondContact O-N 3.36Å
375S23Very low25.9Very low101 Ų101156.4 Ų156.471%0.70680%0.8SS**  trans-74.4120.3171.754.30000111.3
376Q27.8Very low25.8Very low166 Ų166160.1 Ų160.178%0.77680%0.802SS**  trans-130.5118.8158.4-75.3-166-15.500110.5S374 F378S374-Q376 PolarHBondContact O-N 3.36Å; Q376-F378 HydrophobicContact CB-CE2 4.27Å
377F23Very low25.9Very low197 Ų197159.8 Ų159.886%0.86480%0.797SS**  trans-68.7142.1169.1-73.1-112.3000109.4
378F26.6Very low25.8Very low174 Ų174161.5 Ų161.576%0.76380%0.8SS**  trans-129.3145.8154.1-79-79.2000109.9Q376Q376-F378 HydrophobicContact CB-CE2 4.27Å
379P24.6Very low25.9Very low112 Ų112157.7 Ų157.773%0.72779%0.794SS**  trans-93.7166.2-152.936.3-38000114.9K381P379-K381 PolarHBondContact O-N 2.88Å; P379-K381 VanDerWaalsContact O-N 3.08Å
380N22.8Very low25.7Very low164 Ų164153.7 Ų153.788%0.87779%0.79SS**  trans-38.8106.1171.4-56.4-29.6000113.9
381K28.6Very low25.9Very low165 Ų165153.6 Ų153.672%0.71779%0.79SS**  trans-75.7144.8152.1-78.2-174.9-178.8177.80108E281 P379E281-K381 IonicContact OE1-NZ 3.17Å; E281-K381 PolarHBondContact OE1-NZ 2.86Å; E281-K381 IonicContact OE2-NZ 2.73Å; P379-K381 PolarHBondContact O-N 2.88Å; P379-K381 VanDerWaalsContact O-N 3.08Å
382R26Very low25.9Very low236 Ų236149.6 Ų149.689%0.89179%0.786SS**  trans-72.9128.3-156.4-64.4172179145-2.5113.3I384R382-I384 PolarHBondContact O-N 3.31Å
383Y26.5Very low26.3Very low224 Ų224152.8 Ų152.888%0.87880%0.796SS**  trans-66.6108.4153.5-84.2-89000108.9K385Y383-K385 VanDerWaalsContact C-N 3.32Å; Y383-K385 PolarHBondContact O-N 3.49Å; Y383-K385 VanDerWaalsContact O-N 3.08Å
384I26.8Very low26.6Very low150 Ų150152.4 Ų152.477%0.76980%0.795SS**  trans-75.193.5160.5-60.3179.4000106.6R382 I386R382-I384 PolarHBondContact O-N 3.31Å; I384-I386 PolarHBondContact O-N 3.18Å; I384-I386 VanDerWaalsContact O-N 3.16Å
385K25.7Very low26.8Very low186 Ų186153.4 Ų153.481%0.80979%0.79SS**  trans-64.6110.2161.5-81.4-171.3172.6-172.20107.5Y383 P387Y383-K385 VanDerWaalsContact C-N 3.32Å; Y383-K385 PolarHBondContact O-N 3.49Å; Y383-K385 VanDerWaalsContact O-N 3.08Å; K385-P387 WeakPolarHBondContact O-CD 3.41Å
386I26.7Very low27.3Very low149 Ų149154.5 Ų154.576%0.76479%0.793SS**  trans-62.8122.3157.4-59175.2000105.8I384 E388I384-I386 PolarHBondContact O-N 3.18Å; I384-I386 VanDerWaalsContact O-N 3.16Å; I386-E388 PolarHBondContact O-N 3.47Å
387P27.1Very low27.2Very low111 Ų111153.4 Ų153.472%0.72179%0.792SS**  trans-77.6116.8-177.129.4-32.4000110.4K385 G389K385-P387 WeakPolarHBondContact O-CD 3.41Å; P387-G389 PolarHBondContact O-N 2.82Å
388E26.2Very low27.4Very low199 Ų199154.2 Ų154.293%0.9380%0.796SS**  trans-6986.5160.5-68.9-176.5149.300108.1I386 G390I386-E388 PolarHBondContact O-N 3.47Å; E388-G390 PolarHBondContact O-N 3.38Å
389G28.2Very low27.5Very low62 Ų62148.9 Ų148.964%0.63979%0.79SS**  trans-72.455.4-172.800000114.8P387 N391P387-G389 PolarHBondContact O-N 2.82Å; G389-N391 PolarHBondContact O-N 2.95Å
390G26.2Very low27.6Very low70 Ų70151.4 Ų151.472%0.72280%0.797SS**  trans-74.267.3172.700000112.3E388 S392E388-G390 PolarHBondContact O-N 3.38Å; G390-S392 PolarHBondContact O-N 2.89Å; G390-S392 VanDerWaalsContact O-N 3.09Å
391N29.3Very low27.9Very low152 Ų152148.6 Ų148.681%0.81379%0.79SS**  trans-71.7102.4-179.3-76.18.2000111.4G389G389-N391 PolarHBondContact O-N 2.95Å
392S26.9Very low28Very low114 Ų114145.4 Ų145.480%0.79779%0.794SS**  trans-11682.2167.166.20000110.5G390G390-S392 PolarHBondContact O-N 2.89Å; G390-S392 VanDerWaalsContact O-N 3.09Å
393D32.6Very low28.2Very low158 Ų158140.9 Ų140.985%0.84579%0.785SS**  trans-111.5140.4170.7-84.1-51.6000111.1
394K28.8Very low28.5Very low187 Ų187136.7 Ų136.781%0.81378%0.778SS**  trans-96.5140.4171.2-55.9168.6-178.1170.10107.8
395D29.7Very low28.6Very low144 Ų144136.3 Ų136.377%0.7777%0.773SS**  172.5163.5105.9-92.4-25.3000113.7
396T32.3Very low28.9Very low124 Ų124134.6 Ų134.676%0.76177%0.768SS**  trans62.38916149.10000120.3
397N25.7Very low29Very low144 Ų144132.6 Ų132.677%0.7777%0.766SS**  54.4154.3118.2-76.6-16.4000123.6
398F29.1Very low29.1Very low214 Ų214131.8 Ų131.894%0.93976%0.763SS**  trans71.4127.3-179.8-53.4-82.5000114.9
399G26.8Very low29.3Very low61 Ų61131.2 Ų131.263%0.62976%0.76SS**  cis165.5148.6-8.700000112.7
400N28.7Very low29.3Very low165 Ų165132.6 Ų132.688%0.88276%0.76SS**  trans70.6150.1176.4-49.5-25000116.1
401S27.2Very low29.6Very low106 Ų106138.9 Ų138.974%0.74177%0.767SS**  cis-174.9153.9-27.752.20000109.8
402A31.4Very low29.5Very low97 Ų97138.9 Ų138.980%0.80277%0.767SS**  trans69.9151.3168.400000117.8
403M29.9Very low29.9Very low142 Ų142138.7 Ų138.770%0.776%0.763SS**  cis-165.5178.7-44.3-123.1-166.581.500109.8Q405M403-Q405 VanDerWaalsContact CE-OE1 3.25Å
404D32.2Very low29.7Very low136 Ų136138 Ų13873%0.72776%0.759SS**  trans88.3108.8171.5-50.1-21.2000115.6
405Q29.8Very low29.9Very low142 Ų142134 Ų13466%0.66476%0.761SS**  70.4125.557.1-75.4-173-94.700113.2M403M403-Q405 VanDerWaalsContact CE-OE1 3.25Å
406E31.4Very low29.7Very low150 Ų150132.9 Ų132.970%0.70176%0.764SS**  cis-138-168.80.5-68.4-142.2155.900110.2
407C29.5Very low29.5Very low106 Ų106131.8 Ų131.872%0.71676%0.762SS**  cis-152-143.311.8-154.90000113.8
408S29.5Very low29.7Very low95 Ų95130 Ų13066%0.66476%0.756SS**  trans-147.8-178.8-133.1-60.90000116.1
409E31.2Very low29.9Very low187 Ų187126.5 Ų126.587%0.87475%0.748SS**  trans85154.5168-55.4-154.5145.100120
410S28Very low29.9Very low90 Ų90132 Ų13263%0.62976%0.757SS**  -168.2143.5-73.556.70000112.9
411K31.7Very low30.2Very low202 Ų202128.8 Ų128.888%0.87875%0.745SS**  171.8149126.4-93.6160.8-176.7167.50114.9
412L28.2Very low30.2Very low153 Ų153130.5 Ų130.580%0.80175%0.745SS**  trans-117-168.2179.3-96.5158.9000108
413P34.2Very low30.2Very low109 Ų109133.4 Ų133.471%0.70875%0.747SS**  cis-145.2162.313.340.7-19.2000120.6
414N28Very low30Very low143 Ų143134.4 Ų134.477%0.76575%0.75SS**  trans31.9143.4133.4-48.7-8.8000125.2
415A32.8Very low30Very low105 Ų105135.6 Ų135.687%0.86876%0.756SS**  trans-162.1160.3135.300000112.9
416S26.6Very low29.9Very low119 Ų119136.5 Ų136.583%0.83276%0.763SS**  trans-162.4176.5-177.974.10000112.7
417S27.4Very low30Very low102 Ų102135 Ų13571%0.71377%0.77SS**  cis-130.9-96.3544.40000115.2
418T30.8Very low29.8Very low106 Ų106133.8 Ų133.865%0.6577%0.767SS**  cis-161.3141.76.2-51.10000112.2
419N31.9Very low29.7Very low141 Ų141136 Ų13675%0.75477%0.772SS**  trans41111.4160.4-59-1.4000124.8
420Q28.7Very low29.7Very low175 Ų175134.9 Ų134.982%0.81877%0.772SS**  29.7166.8102.5-87.6-170.9-0.200123.1
421P33.2Very low29.6Very low99 Ų99134.5 Ų134.564%0.64377%0.769SS**  cis-144.8172.4-16.736.6-15.7000118.4
422I27.7Very low29.5Very low142 Ų142134.2 Ų134.273%0.72876%0.764SS**  trans39.3125.6139.1-58.5161.1000121.7
423N32Very low29.4Very low158 Ų158133.4 Ų133.485%0.84576%0.76SS**  -166.1161.3121.5-113.5-35.4000115.1
424E25.9Very low29.1Very low163 Ų163136.2 Ų136.276%0.76277%0.769SS**  trans-99.8158-172.2-53170.5138.900113
425N31.9Very low29.2Very low160 Ų160139 Ų13986%0.85678%0.775SS**  -177.4164.4118.9-105.1-75.1000114.6
426I27.9Very low29.1Very low161 Ų161140.7 Ų140.783%0.82677%0.769SS**  trans-106.7133.7-173.3-60.8161.1000111
427S32.3Very low29.4Very low120 Ų120143 Ų14384%0.83977%0.772SS**  trans-150.8162.5147.681.20000110.6
428A26.4Very low29.7Very low79 Ų79146.9 Ų146.965%0.65378%0.777SS**  trans-125.5163.4-172.900000112
429N26.6Very low29.8Very low143 Ų143147.9 Ų147.977%0.76577%0.773SS**  trans66107.6168-50.7-26.5000116.2
430N31.2Very low29.9Very low163 Ų163148.5 Ų148.587%0.87278%0.777SS**  -164.2153.990.7-95.9-40.9000113.6
431S26.2Very low30.1Very low81 Ų81149.6 Ų149.657%0.56678%0.779SS**  trans-64.1139.6166.2174.70000110.7
432Y28.7Very low30.2Very low197 Ų197149.6 Ų149.677%0.77377%0.773SS**  172.4140.8107.7-90.1-65.5000111.9
433N26.7Very low30.4Very low136 Ų136147.4 Ų147.473%0.72776%0.762SS**  trans51.3105.3152.5-52.6-12000119.3
434N29.2Very low30.4Very low167 Ų167147.9 Ų147.989%0.89377%0.765SS**  trans-160.596.1140.9-96.9-24.8000107.4
435F28.6Very low30.9Very low203 Ų203144.6 Ų144.689%0.8976%0.756SS**  trans-129.638.6-166.7-137.1-73.3000111.8
436D31.5Very low31.3Very low139 Ų139142.8 Ų142.874%0.74375%0.75SS**  trans-125.6-26.1-174.2-70.2-73.3000114.4F438D436-F438 VanDerWaalsContact C-N 3.26Å; D436-F438 PolarHBondContact O-N 3.26Å
437D33.6Very low32.1Very low169 Ų169139.7 Ų139.790%0.90475%0.749SS**THydrogen-bonded Turntrans-8630.9-163.8-150.513.6000115
438F32.8Very low32.8Very low183 Ų183138.6 Ų138.680%0.80373%0.732SS**THydrogen-bonded Turntrans-128.9-5.9-178-111.5-88.3000115.1D436D436-F438 VanDerWaalsContact C-N 3.26Å; D436-F438 PolarHBondContact O-N 3.26Å
439H33.2Very low34.7Very low126 Ų126139.6 Ų139.658%0.58373%0.726SS**G310 helixtrans-81.9-29.8-174.9-94.6-73.5000114.8K441 I442H439-K441 PolarHBondContact O-N 3.45Å; H439-I442 PolarHBondContact O-N 3.05Å
440D33.8Very low36.8Very low154 Ų154134.4 Ų134.482%0.82470%0.701SS**G310 helixtrans-74.84.6-171.5-80.8-9.5000116
441K32.9Very low38.9Very low198 Ų198127.8 Ų127.886%0.86167%0.665SS**G310 helixtrans-111.73.9171.8-75.8-177177.9170.70114.9H439H439-K441 PolarHBondContact O-N 3.45Å
442I35.5Very low41.4Very low100 Ų100127.3 Ų127.351%0.51365%0.654SS.*THydrogen-bonded Turntrans-101.2-23.3-178.3-66.2172000111.8H439 D444 V445H439-I442 PolarHBondContact O-N 3.05Å; I442-D444 VanDerWaalsContact C-N 3.33Å; I442-D444 PolarHBondContact O-N 3.16Å; I442-V445 PolarHBondContact O-N 3.37Å
443N31Very low43.7Very low96 Ų96122 Ų12251%0.51363%0.634SS.*G310 helixtrans-74.8-15.7-168.5-64.3-28.3000115.1V445 T446N443-V445 VanDerWaalsContact C-N 3.26Å; N443-V445 PolarHBondContact O-N 2.93Å; N443-T446 PolarHBondContact O-OG1 3.39Å
444D32.1Very low46.3Very low168 Ų168115.5 Ų115.590%0.89860%0.6SS**G310 helixtrans-82.30.3178.4-136.213.1000113.3I442I442-D444 VanDerWaalsContact C-N 3.33Å; I442-D444 PolarHBondContact O-N 3.16Å
445V36.1Very low48.9Very low94 Ų94108.6 Ų108.657%0.5756%0.564SS**G310 helixtrans-99.6-0.6-174.3-172.30000112.5I442 N443 A447I442-V445 PolarHBondContact O-N 3.37Å; N443-V445 VanDerWaalsContact C-N 3.26Å; N443-V445 PolarHBondContact O-N 2.93Å; V445-A447 PolarHBondContact O-N 3.43Å
446T40.8Very low51.7Low121 Ų121105.1 Ų105.174%0.74255%0.55SS**THydrogen-bonded Turntrans-84.2-4.4-165.250.10000115.7N443N443-T446 PolarHBondContact O-OG1 3.39Å
447A44Very low54.3Low97 Ų97102 Ų10280%0.80253%0.533SS*.THydrogen-bonded Turntrans-115.615.6-174.400000115.5V445V445-A447 PolarHBondContact O-N 3.43Å
448M48.3Very low57Low97 Ų9794.1 Ų94.148%0.47849%0.491SS..  trans-74.7135.4176.1-81.5-81.9176.100112.1E452M448-E452 HydrophobicContact SD-CB 4.44Å
449N66.7Low59.9Low99 Ų9987.5 Ų87.553%0.52947%0.467SS..  trans-65.4143.9173.2-66.8-77.5000110.6L451 E452 K453N449-L451 PolarHBondContact O-N 2.94Å; N449-E452 HydrophobicContact CB-CG 4.06Å; N449-E452 VanDerWaalsContact CB-OE2 3.27Å; N449-E452 WeakPolarHBondContact CB-OE2 3.45Å; N449-E452 PolarHBondContact N-OE2 2.85Å; N449-E452 VanDerWaalsContact N-OE2 3.16Å; N449-E452 PolarHBondContact ND2-OE2 3.29Å; N449-E452 WeakPolarHBondContact O-CB 3.42Å; N449-E452 PolarHBondContact O-N 3.37Å; N449-K453 PolarHBondContact O-N 2.85Å; N449-K453 VanDerWaalsContact O-N 3.17Å
450P70.7Confident62.8Low35 Ų3581.5 Ų81.523%0.22744%0.439CS..Hα-helixtrans-63.5-28.8-177.125.3-34.6000112.9I209 Y343 K453 L454I209-P450 HydrophobicContact CD1-CB 3.52Å; I209-P450 HydrophobicContact CD1-CG 3.49Å; I209-P450 VanDerWaalsContact CD1-CG 3.49Å; Y343-P450 HydrophobicContact CD1-CB 4.09Å; Y343-P450 HydrophobicContact CD2-CB 4.1Å; Y343-P450 HydrophobicContact CE1-CB 4.04Å; Y343-P450 HydrophobicContact CE2-CB 4.07Å; Y343-P450 HydrophobicContact CG-CB 4.12Å; P450-K453 PolarHBondContact O-N 3.08Å; P450-L454 WeakPolarHBondContact O-CG 3.35Å; P450-L454 PolarHBondContact O-N 3.45Å
451L75Confident65.5Low23 Ų2374.1 Ų74.112%0.1240%0.4CS..Hα-helixtrans-66.5-37.4172.3-62.5-179.7000112.7P207 I214 N449 K453 L454 V455P207-L451 HydrophobicContact CG-CD1 3.69Å; I214-L451 HydrophobicContact CD1-CD2 3.65Å; I214-L451 HydrophobicContact CG1-CD2 4.33Å; N449-L451 PolarHBondContact O-N 2.94Å; L451-K453 VanDerWaalsContact C-N 3.32Å; L451-L454 HydrophobicContact CD2-CD1 4.25Å; L451-L454 PolarHBondContact O-N 2.91Å; L451-V455 WeakPolarHBondContact O-CG2 3.45Å; L451-V455 PolarHBondContact O-N 3.42Å
452E77.3Confident68.4Low71 Ų7166.6 Ų66.633%0.33238%0.375SS..Hα-helixtrans-69.1-35.4177.7-63.2176.9117.600110.9M448 N449 V455 Q456M448-E452 HydrophobicContact SD-CB 4.44Å; N449-E452 HydrophobicContact CB-CG 4.06Å; N449-E452 VanDerWaalsContact CB-OE2 3.27Å; N449-E452 WeakPolarHBondContact CB-OE2 3.45Å; N449-E452 PolarHBondContact N-OE2 2.85Å; N449-E452 VanDerWaalsContact N-OE2 3.16Å; N449-E452 PolarHBondContact ND2-OE2 3.29Å; N449-E452 WeakPolarHBondContact O-CB 3.42Å; N449-E452 PolarHBondContact O-N 3.37Å; E452-V455 WeakPolarHBondContact O-CB 3.27Å; E452-V455 PolarHBondContact O-N 2.99Å; E452-Q456 WeakPolarHBondContact O-CG 3.03Å; E452-Q456 PolarHBondContact O-N 2.86Å; E452-Q456 VanDerWaalsContact O-N 3.09Å
453K77.5Confident71.2Confident85 Ų8562.8 Ų62.837%0.3736%0.355SS..Hα-helixtrans-73.3-33.7173.6-172.5145.8150.3-166.50112.7Y343 N449 P450 L451 V455 Q456 I457Y343-K453 WeakPolarHBondContact OH-CD 3.28Å; Y343-K453 VanDerWaalsContact OH-CE 3.23Å; Y343-K453 WeakPolarHBondContact OH-CE 3.41Å; Y343-K453 WeakPolarHBondContact OH-CG 3.43Å; N449-K453 PolarHBondContact O-N 2.85Å; N449-K453 VanDerWaalsContact O-N 3.17Å; P450-K453 PolarHBondContact O-N 3.08Å; L451-K453 VanDerWaalsContact C-N 3.32Å; K453-V455 VanDerWaalsContact C-N 3.32Å; K453-V455 PolarHBondContact O-N 2.96Å; K453-Q456 PolarHBondContact O-N 3.5Å; K453-I457 HydrophobicContact CG-CD1 3.78Å; K453-I457 WeakPolarHBondContact O-CB 3.47Å; K453-I457 WeakPolarHBondContact O-CD1 3.36Å; K453-I457 VanDerWaalsContact O-CG1 3.23Å; K453-I457 WeakPolarHBondContact O-CG1 3.2Å; K453-I457 PolarHBondContact O-N 3.27Å; K453-I457 VanDerWaalsContact O-N 3.1Å
454L82.2Confident74.3Confident0 Ų058.2 Ų58.20%033%0.33CS..Hα-helixtrans-60.6-39.9167.7-81.8165.3000112.2I336 T339 L340 P450 L451 Q456 I457 S458I336-L454 HydrophobicContact CB-CD2 4.5Å; I336-L454 HydrophobicContact CG1-CD2 4.48Å; I336-L454 HydrophobicContact CG2-CD2 4.28Å; T339-L454 HydrophobicContact CG2-CD2 3.62Å; T339-L454 HydrophobicContact CG2-CG 4.18Å; L340-L454 HydrophobicContact CD2-CD1 3.8Å; L340-L454 HydrophobicContact CG-CD1 4.13Å; P450-L454 WeakPolarHBondContact O-CG 3.35Å; P450-L454 PolarHBondContact O-N 3.45Å; L451-L454 HydrophobicContact CD2-CD1 4.25Å; L451-L454 PolarHBondContact O-N 2.91Å; L454-Q456 VanDerWaalsContact C-N 3.32Å; L454-Q456 PolarHBondContact O-N 3Å; L454-I457 PolarHBondContact O-N 2.92Å; L454-S458 PolarHBondContact O-N 2.82Å
455V84.4Confident77.2Confident23 Ų2352.8 Ų52.814%0.13930%0.299CS..Hα-helixtrans-64.9-32.3174164.10000112.5F35 L451 E452 K453 C461 K465F35-V455 HydrophobicContact CE2-CG2 3.78Å; F35-V455 HydrophobicContact CZ-CG2 3.78Å; L451-V455 WeakPolarHBondContact O-CG2 3.45Å; L451-V455 PolarHBondContact O-N 3.42Å; E452-V455 WeakPolarHBondContact O-CB 3.27Å; E452-V455 PolarHBondContact O-N 2.99Å; K453-V455 VanDerWaalsContact C-N 3.32Å; K453-V455 PolarHBondContact O-N 2.96Å; V455-C461 HydrophobicContact CG2-CB 4.24Å; V455-K465 HydrophobicContact CG1-CD 3.85Å; V455-K465 HydrophobicContact CG2-CB 4.37Å; V455-K465 HydrophobicContact CG2-CD 4.1Å
456Q85.7Confident79.9Confident129 Ų12950.9 Ų50.960%0.60329%0.29SS*.Hα-helixtrans-74.6-26.2174.1-70.2170.49.700113.3E452 K453 L454E452-Q456 WeakPolarHBondContact O-CG 3.03Å; E452-Q456 PolarHBondContact O-N 2.86Å; E452-Q456 VanDerWaalsContact O-N 3.09Å; K453-Q456 PolarHBondContact O-N 3.5Å; L454-Q456 VanDerWaalsContact C-N 3.32Å; L454-Q456 PolarHBondContact O-N 3Å
457I87.3Confident82.5Confident75 Ų7545.1 Ų45.139%0.38525%0.254SS..Hα-helixtrans-96.1-41.5-172.5-68.1166.4000112.2I335 T339 K453 L454I335-I457 HydrophobicContact CG2-CG2 3.49Å; I335-I457 VanDerWaalsContact CG2-CG2 3.49Å; T339-I457 HydrophobicContact CG2-CD1 4.03Å; K453-I457 HydrophobicContact CG-CD1 3.78Å; K453-I457 WeakPolarHBondContact O-CB 3.47Å; K453-I457 WeakPolarHBondContact O-CD1 3.36Å; K453-I457 VanDerWaalsContact O-CG1 3.23Å; K453-I457 WeakPolarHBondContact O-CG1 3.2Å; K453-I457 PolarHBondContact O-N 3.27Å; K453-I457 VanDerWaalsContact O-N 3.1Å; L454-I457 PolarHBondContact O-N 2.92Å
458S90.3Very high84.9Confident2 Ų240.5 Ų40.51%0.01422%0.216CC..  trans-98.4123.7-179.8171.40000111.3Q332 L454 L460 C461 A462Q332-S458 VanDerWaalsContact OE1-CA 3.28Å; Q332-S458 PolarHBondContact OE1-OG 3.01Å; L454-S458 PolarHBondContact O-N 2.82Å; S458-L460 VanDerWaalsContact C-N 3.29Å; S458-L460 PolarHBondContact O-N 3.19Å; S458-L460 PolarHBondContact OG-N 3.29Å; S458-C461 PolarHBondContact O-N 2.99Å; S458-C461 PolarHBondContact OG-N 2.93Å; S458-A462 PolarHBondContact O-N 3.04Å
459S93.2Very high87Confident44 Ų4438 Ų3831%0.30820%0.204SC..Hα-helixtrans-63.2-36.9174.3520000111.7Y328 Q332 A462 E463Y328-S459 PolarHBondContact OH-OG 3.17Å; Q332-S459 PolarHBondContact OE1-OG 2.97Å; S459-A462 WeakPolarHBondContact O-CB 3.27Å; S459-A462 PolarHBondContact O-N 3Å; S459-E463 WeakPolarHBondContact O-CB 3.48Å; S459-E463 WeakPolarHBondContact O-CG 3.4Å; S459-E463 PolarHBondContact O-N 3.29Å
460L93.6Very high88.1Confident0 Ų034.6 Ų34.60%019%0.188CC..Hα-helixtrans-65-40.8176.217959.7000111.6L23 V319 Y328 L329 Q332 S458 A462 E463 L464L23-L460 HydrophobicContact CD2-CD2 3.7Å; L23-L460 HydrophobicContact CD2-CG 4.4Å; V319-L460 HydrophobicContact CG2-CD1 4.06Å; Y328-L460 HydrophobicContact CE1-CB 4.19Å; Y328-L460 HydrophobicContact CE1-CD1 4.31Å; Y328-L460 WeakPolarHBondContact OH-CA 3.4Å; Y328-L460 PolarHBondContact OH-N 3.42Å; Y328-L460 VanDerWaalsContact OH-N 3.1Å; L329-L460 HydrophobicContact CD1-CD2 3.45Å; L329-L460 VanDerWaalsContact CD1-CD2 3.45Å; Q332-L460 HydrophobicContact CB-CB 4.16Å; Q332-L460 HydrophobicContact CB-CD2 4.31Å; Q332-L460 HydrophobicContact CG-CB 3.95Å; S458-L460 VanDerWaalsContact C-N 3.29Å; S458-L460 PolarHBondContact O-N 3.19Å; S458-L460 PolarHBondContact OG-N 3.29Å; L460-A462 VanDerWaalsContact C-N 3.35Å; L460-E463 PolarHBondContact O-N 3.22Å; L460-L464 HydrophobicContact CD1-CD1 4.1Å; L460-L464 HydrophobicContact CD1-CG 4.05Å; L460-L464 HydrophobicContact CG-CD1 4.03Å; L460-L464 HydrophobicContact CG-CG 4.41Å; L460-L464 WeakPolarHBondContact O-CB 3.41Å; L460-L464 VanDerWaalsContact O-CG 3.23Å; L460-L464 WeakPolarHBondContact O-CG 3.39Å; L460-L464 PolarHBondContact O-N 2.92Å
461C91.9Very high89.1Confident0 Ų032.9 Ų32.90%018%0.178CC..Hα-helixtrans-65-38.1174.7-65.70000112.2F35 V455 S458 K465F35-C461 HydrophobicContact CD2-CB 3.99Å; F35-C461 WeakPolarHBondContact CD2-SG 3.43Å; F35-C461 HydrophobicContact CE1-CB 4.41Å; F35-C461 HydrophobicContact CE2-CB 3.73Å; F35-C461 HydrophobicContact CG-CB 4.44Å; F35-C461 HydrophobicContact CZ-CB 3.94Å; V455-C461 HydrophobicContact CG2-CB 4.24Å; S458-C461 PolarHBondContact O-N 2.99Å; S458-C461 PolarHBondContact OG-N 2.93Å; C461-K465 WeakPolarHBondContact O-CB 3.13Å; C461-K465 PolarHBondContact O-N 2.93Å
462A93.2Very high89.8Confident39 Ų3932 Ų3232%0.32217%0.174SC..Hα-helixtrans-64.6-44.8173.300000112.5S458 S459 L460 K465 S466S458-A462 PolarHBondContact O-N 3.04Å; S459-A462 WeakPolarHBondContact O-CB 3.27Å; S459-A462 PolarHBondContact O-N 3Å; L460-A462 VanDerWaalsContact C-N 3.35Å; A462-K465 PolarHBondContact O-N 3.09Å; A462-S466 WeakPolarHBondContact O-CB 3.24Å; A462-S466 PolarHBondContact O-N 3.38Å
463E94.6Very high90.3Very high20 Ų2035 Ų359%0.09319%0.185CC..Hα-helixtrans-61.6-47.5176.2-72.3164.3-174.500110.8Y328 S459 L460 S466 I467 V479 I481 N482Y328-E463 PolarHBondContact OH-OE2 3.44Å; S459-E463 WeakPolarHBondContact O-CB 3.48Å; S459-E463 WeakPolarHBondContact O-CG 3.4Å; S459-E463 PolarHBondContact O-N 3.29Å; L460-E463 PolarHBondContact O-N 3.22Å; E463-S466 PolarHBondContact O-N 2.87Å; E463-I467 WeakPolarHBondContact O-CD1 3.44Å; E463-I467 WeakPolarHBondContact O-CG1 3.39Å; E463-I467 PolarHBondContact O-N 3.18Å; E463-V479 HydrophobicContact CB-CG1 4.09Å; E463-V479 HydrophobicContact CG-CG1 4.16Å; E463-I481 VanDerWaalsContact OE2-CA 3.24Å; E463-I481 WeakPolarHBondContact OE2-CA 3.32Å; E463-N482 PolarHBondContact OE1-N 2.8Å; E463-N482 PolarHBondContact OE2-N 2.84Å
464L94.8Very high90.7Very high0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-63.9-40.6177.2-69.6173.7000112.8I21 L23 F35 I315 L460 I467 L468I21-L464 HydrophobicContact CD1-CB 4.31Å; I21-L464 HydrophobicContact CD1-CD2 3.81Å; L23-L464 HydrophobicContact CB-CD1 4.15Å; L23-L464 HydrophobicContact CD2-CD1 4.24Å; F35-L464 HydrophobicContact CD1-CB 4.33Å; F35-L464 HydrophobicContact CD1-CD1 4.04Å; F35-L464 HydrophobicContact CE1-CB 3.96Å; F35-L464 HydrophobicContact CE1-CD1 4.5Å; I315-L464 HydrophobicContact CG2-CD2 3.78Å; L460-L464 HydrophobicContact CD1-CD1 4.1Å; L460-L464 HydrophobicContact CD1-CG 4.05Å; L460-L464 HydrophobicContact CG-CD1 4.03Å; L460-L464 HydrophobicContact CG-CG 4.41Å; L460-L464 WeakPolarHBondContact O-CB 3.41Å; L460-L464 VanDerWaalsContact O-CG 3.23Å; L460-L464 WeakPolarHBondContact O-CG 3.39Å; L460-L464 PolarHBondContact O-N 2.92Å; L464-I467 PolarHBondContact O-N 3.22Å; L464-L468 PolarHBondContact O-N 2.74Å; L464-L468 VanDerWaalsContact O-N 3.08Å
465K93.7Very high91Very high54 Ų5433 Ų3324%0.23518%0.181CC..Hα-helixtrans-63.2-45.4172.2-178.1175.9-171.8163.40111.2Q37 V455 C461 A462 I467 L468 D469Q37-K465 HydrophobicContact CG-CB 4.41Å; Q37-K465 HydrophobicContact CG-CG 4.13Å; V455-K465 HydrophobicContact CG1-CD 3.85Å; V455-K465 HydrophobicContact CG2-CB 4.37Å; V455-K465 HydrophobicContact CG2-CD 4.1Å; C461-K465 WeakPolarHBondContact O-CB 3.13Å; C461-K465 PolarHBondContact O-N 2.93Å; A462-K465 PolarHBondContact O-N 3.09Å; K465-I467 VanDerWaalsContact C-N 3.27Å; K465-I467 PolarHBondContact O-N 2.93Å; K465-L468 PolarHBondContact O-N 3.4Å; K465-D469 WeakPolarHBondContact O-CB 3.49Å; K465-D469 PolarHBondContact O-N 3.27Å
466S93.2Very high91.4Very high55 Ų5532.7 Ų32.739%0.38518%0.178SC..Hα-helixtrans-60.1-37.7178.2-176.30000111.9A462 E463 S470A462-S466 WeakPolarHBondContact O-CB 3.24Å; A462-S466 PolarHBondContact O-N 3.38Å; E463-S466 PolarHBondContact O-N 2.87Å; S466-S470 VanDerWaalsContact O-CB 3.3Å; S466-S470 WeakPolarHBondContact O-CB 3.42Å; S466-S470 PolarHBondContact O-N 3.06Å
467I94.6Very high91.6Very high0 Ų026.8 Ų26.80%015%0.15CC..Hα-helixtrans-65-47.2174.9-67.9160.8000111.4L311 I315 E463 L464 K465 S470 V471 V477 V479L311-I467 HydrophobicContact CD1-CG2 4.25Å; L311-I467 HydrophobicContact CD2-CG2 4.26Å; I315-I467 HydrophobicContact CD1-CD1 4.28Å; I315-I467 HydrophobicContact CD1-CG2 3.91Å; I315-I467 HydrophobicContact CG1-CD1 4.16Å; E463-I467 WeakPolarHBondContact O-CD1 3.44Å; E463-I467 WeakPolarHBondContact O-CG1 3.39Å; E463-I467 PolarHBondContact O-N 3.18Å; L464-I467 PolarHBondContact O-N 3.22Å; K465-I467 VanDerWaalsContact C-N 3.27Å; K465-I467 PolarHBondContact O-N 2.93Å; I467-S470 WeakPolarHBondContact O-CB 3.3Å; I467-S470 PolarHBondContact O-N 2.72Å; I467-V471 WeakPolarHBondContact O-CG2 3.47Å; I467-V471 PolarHBondContact O-N 3.24Å; I467-V477 HydrophobicContact CB-CG1 4.19Å; I467-V477 HydrophobicContact CG1-CG1 3.75Å; I467-V477 HydrophobicContact CG2-CG1 3.93Å; I467-V477 HydrophobicContact CG2-CG2 4.2Å; I467-V479 HydrophobicContact CD1-CB 4.34Å; I467-V479 HydrophobicContact CD1-CG1 4.31Å; I467-V479 HydrophobicContact CG1-CB 3.84Å; I467-V479 HydrophobicContact CG1-CG1 4.11Å; I467-V479 HydrophobicContact CG1-CG2 3.82Å
468L94Very high91.8Very high0 Ų025.3 Ų25.30%014%0.143CC..Hα-helixtrans-59.3-48.5176.8179.969.6000111.5P18 I21 Q37 F39 F294 L464 K465 S470 V471 C472P18-L468 HydrophobicContact CB-CD1 4.1Å; P18-L468 HydrophobicContact CG-CD1 3.63Å; I21-L468 HydrophobicContact CB-CD1 4.39Å; I21-L468 HydrophobicContact CG2-CB 4.16Å; I21-L468 HydrophobicContact CG2-CD2 4.13Å; Q37-L468 HydrophobicContact CB-CD2 4.36Å; Q37-L468 HydrophobicContact CG-CD2 3.8Å; Q37-L468 WeakPolarHBondContact O-CD2 3.37Å; F39-L468 HydrophobicContact CB-CD2 4.18Å; F39-L468 HydrophobicContact CB-CG 4.45Å; F294-L468 HydrophobicContact CD1-CD1 4.49Å; F294-L468 HydrophobicContact CE1-CD1 4.48Å; L464-L468 PolarHBondContact O-N 2.74Å; L464-L468 VanDerWaalsContact O-N 3.08Å; K465-L468 PolarHBondContact O-N 3.4Å; L468-S470 VanDerWaalsContact C-N 3.34Å; L468-S470 PolarHBondContact O-N 3.5Å; L468-V471 PolarHBondContact O-N 3.49Å; L468-C472 PolarHBondContact O-N 3.32Å; L468-C472 PolarHBondContact O-SG 2.87Å
469D92.6Very high91.8Very high43 Ų4325.9 Ų25.923%0.2315%0.147CC..Hα-helixtrans-57-46175.5-92.428.2000111.5K465 C472 K473K465-D469 WeakPolarHBondContact O-CB 3.49Å; K465-D469 PolarHBondContact O-N 3.27Å; D469-C472 PolarHBondContact O-N 3Å; D469-K473 HydrophobicContact CB-CD 4.24Å; D469-K473 WeakPolarHBondContact O-CB 3.21Å; D469-K473 WeakPolarHBondContact O-CD 3.15Å; D469-K473 WeakPolarHBondContact O-CG 3.2Å; D469-K473 PolarHBondContact O-N 2.89Å; D469-K473 IonicContact OD2-NZ 3.11Å; D469-K473 PolarHBondContact OD2-NZ 3.42Å
470S91.1Very high91.8Very high28 Ų2826.4 Ų26.420%0.19614%0.143CC..Hα-helixtrans-58.6-48.5177.1-111.40000112.4S466 I467 L468 C472 T474 G475 H476S466-S470 VanDerWaalsContact O-CB 3.3Å; S466-S470 WeakPolarHBondContact O-CB 3.42Å; S466-S470 PolarHBondContact O-N 3.06Å; I467-S470 WeakPolarHBondContact O-CB 3.3Å; I467-S470 PolarHBondContact O-N 2.72Å; L468-S470 VanDerWaalsContact C-N 3.34Å; L468-S470 PolarHBondContact O-N 3.5Å; S470-C472 VanDerWaalsContact C-N 3.34Å; S470-C472 PolarHBondContact O-N 3.15Å; S470-T474 PolarHBondContact O-N 2.69Å; S470-T474 PolarHBondContact O-OG1 2.67Å; S470-G475 PolarHBondContact O-N 2.69Å; S470-H476 WeakPolarHBondContact CB-O 3.33Å; S470-H476 PolarHBondContact OG-O 3.45Å
471V91.7Very high91.7Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-59.7-45.7177.8172.60000111P18 L308 L311 I467 L468 G475 V477 L491P18-V471 HydrophobicContact CG-CG1 4.17Å; L308-V471 HydrophobicContact CD2-CG1 4.11Å; L311-V471 HydrophobicContact CD2-CG2 3.46Å; L311-V471 VanDerWaalsContact CD2-CG2 3.46Å; I467-V471 WeakPolarHBondContact O-CG2 3.47Å; I467-V471 PolarHBondContact O-N 3.24Å; L468-V471 PolarHBondContact O-N 3.49Å; V471-G475 WeakPolarHBondContact O-CA 3.49Å; V471-G475 PolarHBondContact O-N 2.87Å; V471-V477 HydrophobicContact CG2-CG2 3.55Å; V471-L491 HydrophobicContact CG1-CD2 4.11Å
472C89.4Confident91.7Very high5 Ų528.3 Ų28.33%0.03415%0.153CC..Hα-helixtrans-77-34.5-174.2-59.80000113.2F39 L468 D469 S470 K494F39-C472 HydrophobicContact CD1-CB 4.24Å; F39-C472 HydrophobicContact CD2-CB 3.8Å; F39-C472 HydrophobicContact CE1-CB 3.89Å; F39-C472 HydrophobicContact CE2-CB 3.42Å; F39-C472 VanDerWaalsContact CE2-CB 3.42Å; F39-C472 HydrophobicContact CG-CB 4.21Å; F39-C472 HydrophobicContact CZ-CB 3.47Å; F39-C472 VanDerWaalsContact CZ-CB 3.47Å; L468-C472 PolarHBondContact O-N 3.32Å; L468-C472 PolarHBondContact O-SG 2.87Å; D469-C472 PolarHBondContact O-N 3Å; S470-C472 VanDerWaalsContact C-N 3.34Å; S470-C472 PolarHBondContact O-N 3.15Å; C472-K494 WeakPolarHBondContact O-CE 3.49Å
473K87Confident91.5Very high132 Ų13234.9 Ų34.957%0.57418%0.175SC*.Hα-helixtrans-83.1-50.2-176.7-67.4168.1-179.8175.70112.6D469D469-K473 HydrophobicContact CB-CD 4.24Å; D469-K473 WeakPolarHBondContact O-CB 3.21Å; D469-K473 WeakPolarHBondContact O-CD 3.15Å; D469-K473 WeakPolarHBondContact O-CG 3.2Å; D469-K473 PolarHBondContact O-N 2.89Å; D469-K473 IonicContact OD2-NZ 3.11Å; D469-K473 PolarHBondContact OD2-NZ 3.42Å
474T86.8Confident91.3Very high45 Ų4538.2 Ų38.228%0.27619%0.192SC..THydrogen-bonded Turntrans-119.6-20.2-172.769.10000113.6S470 H476 Y542S470-T474 PolarHBondContact O-N 2.69Å; S470-T474 PolarHBondContact O-OG1 2.67Å; T474-H476 PolarHBondContact O-CD2 3.42Å; T474-H476 VanDerWaalsContact O-CD2 3.29Å; T474-H476 PolarHBondContact O-N 2.82Å; T474-H476 PolarHBondContact OG1-N 2.92Å; T474-H476 VanDerWaalsContact OG1-N 3.1Å; T474-H476 PolarHBondContact OG1-O 3.23Å; T474-Y542 HydrophobicContact CG2-CE1 4.42Å
475G88.9Confident91.1Very high0 Ų039.9 Ų39.90%020%0.199CC..SBendtrans77.9-0.8-169.700000114.1S470 V471 C490 L491S470-G475 PolarHBondContact O-N 2.69Å; V471-G475 WeakPolarHBondContact O-CA 3.49Å; V471-G475 PolarHBondContact O-N 2.87Å; G475-C490 CarbonylContact O-C 3.56Å; G475-C490 WeakPolarHBondContact O-CA 3.34Å; G475-L491 PolarHBondContact O-N 2.96Å
476H90.9Very high90.9Very high16 Ų1639.1 Ų39.17%0.07420%0.199CC..EExtended strand (participates in β ladder)trans-113.2129.1178.4-57.1-90.7000110.9S470 T474 A495 Y542 R587 G588 H589S470-H476 WeakPolarHBondContact CB-O 3.33Å; S470-H476 PolarHBondContact OG-O 3.45Å; T474-H476 PolarHBondContact O-CD2 3.42Å; T474-H476 VanDerWaalsContact O-CD2 3.29Å; T474-H476 PolarHBondContact O-N 2.82Å; T474-H476 PolarHBondContact OG1-N 2.92Å; T474-H476 VanDerWaalsContact OG1-N 3.1Å; T474-H476 PolarHBondContact OG1-O 3.23Å; H476-A495 VanDerWaalsContact CE1-CB 3.47Å; H476-A495 WeakPolarHBondContact CE1-CB 3.39Å; H476-A495 WeakPolarHBondContact NE2-CB 3.32Å; H476-Y542 HydrophobicContact CB-CD1 3.64Å; H476-Y542 HydrophobicContact CB-CE1 3.84Å; H476-Y542 AromaticContact CD2-CD1 3.85Å; H476-Y542 AromaticContact CD2-CE1 3.56Å; H476-Y542 AromaticContact CG-CD1 3.73Å; H476-Y542 AromaticContact CG-CE1 3.86Å; H476-R587 PolarHBondContact CE1-O 2.82Å; H476-R587 PolarHBondContact ND1-O 2.96Å; H476-R587 VanDerWaalsContact ND1-O 3.16Å; H476-G588 PolarHBondContact CE1-O 3.01Å; H476-H589 AromaticContact CE1-CE1 3.28Å; H476-H589 PolarHBondContact CE1-CE1 3.43Å; H476-H589 AromaticContact CE1-ND1 3.37Å; H476-H589 PolarHBondContact CE1-ND1 3.06Å; H476-H589 AromaticContact CG-CE1 3.96Å; H476-H589 AromaticContact ND1-CE1 3.21Å; H476-H589 PolarHBondContact ND1-CE1 3.07Å; H476-H589 AromaticContact ND1-ND1 3.8Å; H476-H589 AromaticContact ND1-NE2 3.93Å
477V91.5Very high90.8Very high4 Ų436.6 Ų36.62%0.02418%0.181CC..EExtended strand (participates in β ladder)trans-111.2128.8175.4-173.60000108.7L311 I467 V471 V479 V487 C488 F489L311-V477 HydrophobicContact CD1-CG2 4.41Å; L311-V477 HydrophobicContact CD2-CG2 4.49Å; I467-V477 HydrophobicContact CB-CG1 4.19Å; I467-V477 HydrophobicContact CG1-CG1 3.75Å; I467-V477 HydrophobicContact CG2-CG1 3.93Å; I467-V477 HydrophobicContact CG2-CG2 4.2Å; V471-V477 HydrophobicContact CG2-CG2 3.55Å; V477-V479 HydrophobicContact CG1-CB 4.42Å; V477-V479 HydrophobicContact CG1-CG2 4.11Å; V477-V487 HydrophobicContact CG1-CG1 4.15Å; V477-C488 CarbonylContact O-C 3.58Å; V477-C488 VanDerWaalsContact O-CA 3.32Å; V477-C488 WeakPolarHBondContact O-CA 3.32Å; V477-F489 HydrophobicContact CB-CB 4.04Å; V477-F489 HydrophobicContact CG2-CB 4.24Å; V477-F489 HydrophobicContact CG2-CD1 4.17Å; V477-F489 PolarHBondContact N-O 3.16Å; V477-F489 PolarHBondContact O-N 2.84Å
478N90.4Very high90.5Very high44 Ų4438 Ų3824%0.23519%0.191CC..EExtended strand (participates in β ladder)trans-142.776.6173.7-178.833.5000108.4Y542 L543N478-Y542 PolarHBondContact ND2-O 3.37Å; N478-L543 VanDerWaalsContact ND2-C 3.26Å; N478-L543 PolarHBondContact ND2-O 3.48Å
479V91.7Very high90.4Very high15 Ų1538.3 Ų38.39%0.09119%0.192CC..EExtended strand (participates in β ladder)trans-126.4129.3-174178.30000109.3E463 I467 V477 V487E463-V479 HydrophobicContact CB-CG1 4.09Å; E463-V479 HydrophobicContact CG-CG1 4.16Å; I467-V479 HydrophobicContact CD1-CB 4.34Å; I467-V479 HydrophobicContact CD1-CG1 4.31Å; I467-V479 HydrophobicContact CG1-CB 3.84Å; I467-V479 HydrophobicContact CG1-CG1 4.11Å; I467-V479 HydrophobicContact CG1-CG2 3.82Å; V477-V479 HydrophobicContact CG1-CB 4.42Å; V477-V479 HydrophobicContact CG1-CG2 4.11Å; V479-V487 PolarHBondContact N-O 2.98Å; V479-V487 PolarHBondContact O-N 2.81Å
480K92Very high90.3Very high54 Ų5436.3 Ų36.324%0.23518%0.182CC..EExtended strand (participates in β ladder)trans-94.2113.1176.8-69.3-177.7173.6178.30110.5K483 Y485 P486 T545 D546K480-K483 WeakPolarHBondContact CD-O 3.36Å; K480-K483 WeakPolarHBondContact O-CA 3.46Å; K480-K483 PolarHBondContact O-N 3.18Å; K480-K483 VanDerWaalsContact O-N 3.11Å; K480-Y485 CarbonylContact C-O 3.56Å; K480-Y485 WeakPolarHBondContact CA-O 3.38Å; K480-P486 HydrophobicContact CG-CB 4.37Å; K480-T545 PolarHBondContact NZ-OG1 2.76Å; K480-D546 VanDerWaalsContact CE-OD2 3.28Å; K480-D546 WeakPolarHBondContact CE-OD2 3.43Å; K480-D546 VanDerWaalsContact NZ-CG 3.29Å; K480-D546 IonicContact NZ-OD1 3.56Å; K480-D546 PolarHBondContact NZ-OD1 2.78Å; K480-D546 VanDerWaalsContact NZ-OD1 3.1Å; K480-D546 IonicContact NZ-OD2 3.56Å; K480-D546 PolarHBondContact NZ-OD2 3.38Å
481I91.7Very high90.3Very high0 Ų035 Ų350%017%0.172CC..EExtended strand (participates in β ladder)trans-70.9133.6177.6-70.8178.6000110.7I315 Q318 V319 Y328 E463 K483 I484 Y485 V487I315-I481 HydrophobicContact CG2-CD1 3.96Å; Q318-I481 HydrophobicContact CB-CB 4.46Å; Q318-I481 HydrophobicContact CB-CD1 4.12Å; V319-I481 HydrophobicContact CG2-CD1 3.85Å; V319-I481 HydrophobicContact CG2-CG2 4.23Å; Y328-I481 HydrophobicContact CD1-CG2 4.45Å; Y328-I481 HydrophobicContact CE1-CG2 3.99Å; E463-I481 VanDerWaalsContact OE2-CA 3.24Å; E463-I481 WeakPolarHBondContact OE2-CA 3.32Å; I481-K483 PolarHBondContact O-N 2.92Å; I481-K483 VanDerWaalsContact O-N 3.16Å; I481-I484 PolarHBondContact O-N 3.19Å; I481-Y485 PolarHBondContact N-O 2.83Å; I481-Y485 PolarHBondContact O-N 3.44Å; I481-V487 HydrophobicContact CD1-CG2 3.55Å; I481-V487 HydrophobicContact CG1-CG2 3.99Å
482N91.8Very high90.2Very high41 Ų4135.2 Ų35.222%0.21917%0.174CC..THydrogen-bonded Turntrans49.433.1-167.6-166.927000112.4A322 Y328 E463 I484A322-N482 HydrophobicContact CB-CB 4.43Å; Y328-N482 HydrophobicContact CD1-CB 4.03Å; Y328-N482 HydrophobicContact CD2-CB 3.8Å; Y328-N482 VanDerWaalsContact CD2-CG 3.43Å; Y328-N482 WeakPolarHBondContact CD2-OD1 3.38Å; Y328-N482 HydrophobicContact CE1-CB 3.96Å; Y328-N482 HydrophobicContact CE2-CB 3.75Å; Y328-N482 WeakPolarHBondContact CE2-OD1 3.2Å; Y328-N482 HydrophobicContact CG-CB 3.95Å; E463-N482 PolarHBondContact OE1-N 2.8Å; E463-N482 PolarHBondContact OE2-N 2.84Å; N482-I484 WeakPolarHBondContact O-CG1 3.15Å; N482-I484 PolarHBondContact O-N 3.17Å
483K89.1Confident90Very high177 Ų17735 Ų3577%0.7717%0.172SC*.THydrogen-bonded Turntrans57.9-0.9-171.9-53.1176.7-177.3176.40116.6K480 I481K480-K483 WeakPolarHBondContact CD-O 3.36Å; K480-K483 WeakPolarHBondContact O-CA 3.46Å; K480-K483 PolarHBondContact O-N 3.18Å; K480-K483 VanDerWaalsContact O-N 3.11Å; I481-K483 PolarHBondContact O-N 2.92Å; I481-K483 VanDerWaalsContact O-N 3.16Å
484I89.7Confident90.1Very high89 Ų8930.2 Ų30.246%0.45615%0.152SC..THydrogen-bonded Turntrans-110.3-49.2-172.6-67.3166.3000111.6F326 I481 N482 P486F326-I484 HydrophobicContact CE2-CD1 3.82Å; F326-I484 HydrophobicContact CZ-CD1 3.92Å; I481-I484 PolarHBondContact O-N 3.19Å; N482-I484 WeakPolarHBondContact O-CG1 3.15Å; N482-I484 PolarHBondContact O-N 3.17Å; I484-P486 VanDerWaalsContact O-CD 3.27Å; I484-P486 WeakPolarHBondContact O-CD 3.34Å
485Y90.5Very high90.2Very high35 Ų3528.6 Ų28.614%0.13714%0.143CC..EExtended strand (participates in β ladder)trans-95.3106.7-165.6-61-84.7000112.1R321 A322 F326 K480 I481 V487R321-Y485 HydrophobicContact CB-CD1 4.08Å; R321-Y485 HydrophobicContact CB-CE1 3.78Å; A322-Y485 HydrophobicContact CB-CD2 3.76Å; A322-Y485 HydrophobicContact CB-CE2 3.59Å; F326-Y485 HydrophobicContact CD2-CE2 4.18Å; F326-Y485 AromaticContact CE2-CE2 3.97Å; F326-Y485 HydrophobicContact CE2-CE2 3.97Å; F326-Y485 WeakPolarHBondContact CE2-OH 3.14Å; K480-Y485 CarbonylContact C-O 3.56Å; K480-Y485 WeakPolarHBondContact CA-O 3.38Å; I481-Y485 PolarHBondContact N-O 2.83Å; I481-Y485 PolarHBondContact O-N 3.44Å; Y485-V487 PolarHBondContact O-N 3.05Å
486P90.3Very high90.2Very high38 Ų3828.7 Ų28.725%0.24714%0.143CC..EExtended strand (participates in β ladder)trans-72.2124.1-173.528.9-35.3000113.1M121 K480 I484M121-P486 HydrophobicContact CE-CG 3.84Å; K480-P486 HydrophobicContact CG-CB 4.37Å; I484-P486 VanDerWaalsContact O-CD 3.27Å; I484-P486 WeakPolarHBondContact O-CD 3.34Å
487V91.3Very high89.9Confident2 Ų228.8 Ų28.81%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-96.195.5161.7-178.50000107.9L311 I315 Q318 V477 V479 I481 Y485L311-V487 HydrophobicContact CD1-CG1 4.05Å; I315-V487 HydrophobicContact CG1-CG1 4.03Å; I315-V487 HydrophobicContact CG1-CG2 4.48Å; Q318-V487 HydrophobicContact CB-CG2 4.25Å; Q318-V487 HydrophobicContact CG-CG2 3.9Å; V477-V487 HydrophobicContact CG1-CG1 4.15Å; V479-V487 PolarHBondContact N-O 2.98Å; V479-V487 PolarHBondContact O-N 2.81Å; I481-V487 HydrophobicContact CD1-CG2 3.55Å; I481-V487 HydrophobicContact CG1-CG2 3.99Å; Y485-V487 PolarHBondContact O-N 3.05Å
488C89Confident89.2Confident29 Ų2930.2 Ų30.220%0.19615%0.153CC..EExtended strand (participates in β ladder)trans-102.2117.3172.5-58.50000109.7V477 R587V477-C488 CarbonylContact O-C 3.58Å; V477-C488 VanDerWaalsContact O-CA 3.32Å; V477-C488 WeakPolarHBondContact O-CA 3.32Å; C488-R587 PolarHBondContact O-NH1 3Å
489F91.8Very high88Confident7 Ų733.8 Ų33.83%0.03117%0.172CC..EExtended strand (participates in β ladder)trans-142.9154.8-178.2178.4-97.1000112.1Y307 L311 L314 V477 L491Y307-F489 HydrophobicContact CD1-CE2 4.31Å; Y307-F489 HydrophobicContact CD1-CZ 4.12Å; Y307-F489 WeakPolarHBondContact O-CE2 3.27Å; Y307-F489 WeakPolarHBondContact O-CZ 3.39Å; L311-F489 HydrophobicContact CB-CD1 4.1Å; L311-F489 HydrophobicContact CB-CD2 4.04Å; L311-F489 HydrophobicContact CB-CE1 3.98Å; L311-F489 HydrophobicContact CB-CE2 3.92Å; L311-F489 HydrophobicContact CB-CG 4.13Å; L311-F489 HydrophobicContact CB-CZ 3.89Å; L311-F489 HydrophobicContact CD1-CB 3.79Å; L311-F489 HydrophobicContact CD1-CD1 3.96Å; L311-F489 HydrophobicContact CD1-CD2 4.35Å; L311-F489 HydrophobicContact CD1-CG 3.78Å; L311-F489 HydrophobicContact CD2-CD1 3.93Å; L311-F489 HydrophobicContact CD2-CE1 4.03Å; L311-F489 HydrophobicContact CG-CD1 4.21Å; L311-F489 HydrophobicContact CG-CE1 4.44Å; L311-F489 HydrophobicContact CG-CG 4.36Å; L314-F489 HydrophobicContact CD1-CD2 4.01Å; V477-F489 HydrophobicContact CB-CB 4.04Å; V477-F489 HydrophobicContact CG2-CB 4.24Å; V477-F489 HydrophobicContact CG2-CD1 4.17Å; V477-F489 PolarHBondContact N-O 3.16Å; V477-F489 PolarHBondContact O-N 2.84Å; F489-L491 HydrophobicContact CE1-CB 4.08Å
490C90.8Very high86.3Confident1 Ų135.8 Ų35.81%0.00718%0.182CC..EExtended strand (participates in β ladder)trans-135.5135172.8176.30000109.1G475 P492 A495 R587G475-C490 CarbonylContact O-C 3.56Å; G475-C490 WeakPolarHBondContact O-CA 3.34Å; C490-P492 WeakPolarHBondContact O-CD 3.49Å; C490-A495 WeakPolarHBondContact SG-CB 3.42Å; C490-R587 WeakPolarHBondContact CB-O 3.41Å; C490-R587 VanDerWaalsContact SG-C 3.58Å; C490-R587 PolarHBondContact SG-O 2.89Å
491L90.9Very high84.3Confident0 Ų037.7 Ų37.70%020%0.198CC..  trans-99.397.5165.9-179.362.2000107.5I16 Y307 V471 G475 F489 H493 K494 A495I16-L491 HydrophobicContact CG2-CD2 4.22Å; Y307-L491 HydrophobicContact CG-CD1 4.31Å; V471-L491 HydrophobicContact CG1-CD2 4.11Å; G475-L491 PolarHBondContact O-N 2.96Å; F489-L491 HydrophobicContact CE1-CB 4.08Å; L491-H493 WeakPolarHBondContact CD1-ND1 3.49Å; L491-H493 HydrophobicContact CG-CB 4.43Å; L491-H493 PolarHBondContact O-N 2.92Å; L491-K494 HydrophobicContact CD2-CB 4.23Å; L491-K494 HydrophobicContact CG-CB 4.45Å; L491-K494 PolarHBondContact O-N 3.16Å; L491-A495 PolarHBondContact O-N 3.18Å
492P88.3Confident82.1Confident5 Ų539.5 Ų39.53%0.03221%0.208CC..Hα-helixtrans-57.4-33.5-168.9-2736.3000112.9Y307 C490 K494 Y496 I516Y307-P492 HydrophobicContact CE1-CG 3.87Å; C490-P492 WeakPolarHBondContact O-CD 3.49Å; P492-K494 VanDerWaalsContact C-N 3.28Å; P492-K494 PolarHBondContact O-N 3.16Å; P492-Y496 HydrophobicContact CB-CD2 4.33Å; P492-Y496 WeakPolarHBondContact O-CB 3.45Å; P492-Y496 PolarHBondContact O-N 3.11Å; P492-I516 HydrophobicContact CB-CD1 4.04Å
493H86.6Confident80.1Confident0 Ų041.7 Ų41.70%024%0.241CC..Hα-helixtrans-56.6-35176.4-46.9120.5000114.1W11 I16 Y307 L491 C497 A510 P513W11-H493 HydrophobicContact CE3-CB 4.49Å; W11-H493 AromaticContact CH2-CD2 3.52Å; W11-H493 AromaticContact CH2-NE2 3.45Å; W11-H493 WeakPolarHBondContact CH2-NE2 3.39Å; W11-H493 HydrophobicContact CZ3-CB 3.83Å; W11-H493 AromaticContact CZ3-CD2 3.27Å; W11-H493 WeakPolarHBondContact CZ3-CD2 3.43Å; W11-H493 AromaticContact CZ3-CG 3.5Å; W11-H493 VanDerWaalsContact CZ3-CG 3.5Å; W11-H493 AromaticContact CZ3-NE2 3.68Å; I16-H493 HydrophobicContact CG2-CB 4.22Å; Y307-H493 AromaticContact CD2-CE1 3.77Å; L491-H493 WeakPolarHBondContact CD1-ND1 3.49Å; L491-H493 HydrophobicContact CG-CB 4.43Å; L491-H493 PolarHBondContact O-N 2.92Å; H493-C497 PolarHBondContact O-SG 3.03Å; H493-A510 HydrophobicContact CB-CB 4.29Å; H493-A510 WeakPolarHBondContact O-CB 3.42Å; H493-P513 WeakPolarHBondContact NE2-CD 3.46Å; H493-P513 WeakPolarHBondContact NE2-CG 3.39Å
494K87.5Confident78Confident32 Ų3240.7 Ų40.714%0.13924%0.242CC..Hα-helixtrans-96.1-42.7178.6-171.668.4167.7-170.80111.1E13 L17 C472 L491 P492 Y496 C497 M508E13-K494 IonicContact OE1-NZ 3.31Å; L17-K494 HydrophobicContact CD2-CD 4.29Å; C472-K494 WeakPolarHBondContact O-CE 3.49Å; L491-K494 HydrophobicContact CD2-CB 4.23Å; L491-K494 HydrophobicContact CG-CB 4.45Å; L491-K494 PolarHBondContact O-N 3.16Å; P492-K494 VanDerWaalsContact C-N 3.28Å; P492-K494 PolarHBondContact O-N 3.16Å; K494-Y496 VanDerWaalsContact C-N 3.3Å; K494-Y496 PolarHBondContact O-N 3.08Å; K494-C497 WeakPolarHBondContact O-CB 3.49Å; K494-C497 PolarHBondContact O-N 2.79Å; K494-M508 HydrophobicContact CB-CE 4.4Å; K494-M508 HydrophobicContact CD-CE 3.6Å; K494-M508 HydrophobicContact CD-SD 3.52Å; K494-M508 VanDerWaalsContact CD-SD 3.52Å; K494-M508 PolarHBondContact NZ-SD 3.38Å; K494-M508 VanDerWaalsContact NZ-SD 3.42Å
495A88.6Confident76.2Confident12 Ų1239.6 Ų39.610%0.09924%0.243CC..Hα-helixtrans-59.1-35.8179.100000114H476 C490 L491H476-A495 VanDerWaalsContact CE1-CB 3.47Å; H476-A495 WeakPolarHBondContact CE1-CB 3.39Å; H476-A495 WeakPolarHBondContact NE2-CB 3.32Å; C490-A495 WeakPolarHBondContact SG-CB 3.42Å; L491-A495 PolarHBondContact O-N 3.18Å
496Y89.5Confident74.8Confident2 Ų245.9 Ų45.91%0.00827%0.271CS..THydrogen-bonded Turntrans-87.8-2.6176.1-82.3-69.2000114.4P492 K494 I516 L532 I585 A590 L591 R693 F869P492-Y496 HydrophobicContact CB-CD2 4.33Å; P492-Y496 WeakPolarHBondContact O-CB 3.45Å; P492-Y496 PolarHBondContact O-N 3.11Å; K494-Y496 VanDerWaalsContact C-N 3.3Å; K494-Y496 PolarHBondContact O-N 3.08Å; Y496-I516 HydrophobicContact CD2-CD1 3.47Å; Y496-I516 VanDerWaalsContact CD2-CD1 3.47Å; Y496-I516 HydrophobicContact CE2-CD1 3.62Å; Y496-I516 HydrophobicContact CE2-CG1 4.37Å; Y496-I516 HydrophobicContact CE2-CG2 4.26Å; Y496-I516 HydrophobicContact CG-CD1 4.35Å; Y496-L532 HydrophobicContact CD1-CD1 3.81Å; Y496-L532 HydrophobicContact CE1-CD1 3.78Å; Y496-I585 PolarHBondContact OH-O 2.91Å; Y496-A590 WeakPolarHBondContact CE1-O 3.44Å; Y496-A590 PolarHBondContact OH-O 2.73Å; Y496-L591 HydrophobicContact CD1-CD2 4.11Å; Y496-L591 HydrophobicContact CE1-CD2 3.81Å; Y496-R693 PolarHBondContact O-NH1 3.05Å; Y496-R693 PolarHBondContact O-NH2 3.05Å; Y496-F869 HydrophobicContact CD1-CD1 4.22Å; Y496-F869 HydrophobicContact CD1-CE1 4.36Å; Y496-F869 AromaticContact CE1-CD1 3.93Å; Y496-F869 HydrophobicContact CE1-CD1 3.93Å; Y496-F869 AromaticContact CE1-CE1 3.7Å; Y496-F869 HydrophobicContact CE1-CE1 3.7Å; Y496-F869 HydrophobicContact CE2-CE1 4.41Å; Y496-F869 AromaticContact CZ-CE1 3.72Å
497C84.2Confident73.8Confident18 Ų1846.5 Ų46.512%0.12228%0.275CS..SBendtrans-67.2157.7175-78.50000112H493 K494 M508 V509H493-C497 PolarHBondContact O-SG 3.03Å; K494-C497 WeakPolarHBondContact O-CB 3.49Å; K494-C497 PolarHBondContact O-N 2.79Å; C497-M508 HydrophobicContact CB-CG 4.36Å; C497-M508 HydrophobicContact CB-SD 4.39Å; C497-M508 WeakPolarHBondContact SG-CE 3.32Å; C497-M508 VanDerWaalsContact SG-CG 3.54Å; C497-V509 PolarHBondContact SG-O 3.31Å
498L78.1Confident73.1Confident33 Ų3347 Ų4717%0.17328%0.278CS..  trans-89148.1156.4-57.6-177.5000107.9N500 W611 R692L498-N500 PolarHBondContact O-N 3.1Å; L498-W611 HydrophobicContact CB-CE3 4.37Å; L498-W611 HydrophobicContact CD1-CB 3.91Å; L498-W611 HydrophobicContact CD1-CD2 4.34Å; L498-W611 HydrophobicContact CD1-CE3 3.82Å; L498-W611 HydrophobicContact CD1-CG 4.43Å; L498-W611 HydrophobicContact CG-CE3 3.8Å; L498-W611 HydrophobicContact CG-CZ3 4.22Å; L498-R692 HydrophobicContact CD1-CB 4.41Å
499N65.1Low72.8Confident120 Ų12046.4 Ų46.464%0.64227%0.273SS*.  trans-68.896.9-175.3-69.34.3000111.4T501N499-T501 PolarHBondContact O-N 3.29Å; N499-T501 PolarHBondContact O-OG1 3.29Å
500N55Low72.5Confident57 Ų5746 Ų4631%0.30527%0.271SS..  trans-73.573.2157.6-90.2-1.1000108.9L498 D502 C507 T613L498-N500 PolarHBondContact O-N 3.1Å; N500-D502 PolarHBondContact O-N 3.04Å; N500-C507 PolarHBondContact ND2-O 3.17Å; N500-T613 PolarHBondContact OD1-OG1 3.43Å; N500-T613 VanDerWaalsContact OD1-OG1 3.09Å
501T50.9Low72.4Confident93 Ų9346 Ų4657%0.57127%0.271SS*.  trans-79.52.4171.98.80000112.9N499 Q615N499-T501 PolarHBondContact O-N 3.29Å; N499-T501 PolarHBondContact O-OG1 3.29Å; T501-Q615 PolarHBondContact OG1-OE1 3.41Å
502D46Very low72.2Confident38 Ų3848.6 Ų48.620%0.20328%0.281CS..  trans-88.7105.2170.1-61.3-50.9000109.9N500 I504 S505 T613 P614 Q615N500-D502 PolarHBondContact O-N 3.04Å; D502-I504 PolarHBondContact O-N 3.29Å; D502-S505 PolarHBondContact O-N 2.86Å; D502-T613 WeakPolarHBondContact OD2-CG2 3.34Å; D502-P614 WeakPolarHBondContact OD2-CD 3.34Å; D502-P614 WeakPolarHBondContact OD2-CG 3.46Å; D502-Q615 VanDerWaalsContact CG-NE2 3.26Å; D502-Q615 PolarHBondContact OD1-NE2 3.16Å; D502-Q615 WeakPolarHBondContact OD2-CG 3.35Å
503G48Very low72.2Confident88 Ų8849.2 Ų49.291%0.90729%0.285SS*.THydrogen-bonded Turntrans-6413.8-179.700000116.3
504I46.6Very low72.2Confident155 Ų15555.2 Ų55.280%0.79531%0.314SS*.THydrogen-bonded Turntrans-82.1-35.7174.2-54.2173.2000109.8D502D502-I504 PolarHBondContact O-N 3.29Å
505S51.4Low72.2Confident67 Ų6754.2 Ų54.247%0.46931%0.312SS..  trans-103.688.1-171.8-68.60000112.3D502 C507D502-S505 PolarHBondContact O-N 2.86Å; S505-C507 PolarHBondContact O-N 3.4Å; S505-C507 VanDerWaalsContact O-N 3.08Å
506K60.9Low72.3Confident167 Ų16754 Ų5473%0.72631%0.309SS*.  trans-58.9-17.3175.8-74.3-179.2176.8173.60115.1
507C69.7Low72.3Confident51 Ų5157.5 Ų57.535%0.34532%0.322SS..EExtended strand (participates in β ladder)trans-92.3124.9178.7-169.80000110.9W11 N500 S505W11-C507 CarbonylContact O-C 3.25Å; W11-C507 WeakPolarHBondContact O-CA 3.35Å; N500-C507 PolarHBondContact ND2-O 3.17Å; S505-C507 PolarHBondContact O-N 3.4Å; S505-C507 VanDerWaalsContact O-N 3.08Å
508M76.6Confident72.6Confident13 Ų1359.2 Ų59.26%0.06433%0.33CS..EExtended strand (participates in β ladder)trans-100.1140.2174.2-157.7174.280.500109.6W11 I16 K494 C497W11-M508 PolarHBondContact N-O 3.49Å; W11-M508 VanDerWaalsContact N-O 3.08Å; W11-M508 PolarHBondContact O-N 3.23Å; I16-M508 HydrophobicContact CD1-CB 4.16Å; I16-M508 HydrophobicContact CD1-CE 3.32Å; I16-M508 HydrophobicContact CD1-SD 4.36Å; I16-M508 HydrophobicContact CG2-CE 4.27Å; K494-M508 HydrophobicContact CB-CE 4.4Å; K494-M508 HydrophobicContact CD-CE 3.6Å; K494-M508 HydrophobicContact CD-SD 3.52Å; K494-M508 VanDerWaalsContact CD-SD 3.52Å; K494-M508 PolarHBondContact NZ-SD 3.38Å; K494-M508 VanDerWaalsContact NZ-SD 3.42Å; C497-M508 HydrophobicContact CB-CG 4.36Å; C497-M508 HydrophobicContact CB-SD 4.39Å; C497-M508 WeakPolarHBondContact SG-CE 3.32Å; C497-M508 VanDerWaalsContact SG-CG 3.54Å
509V83.5Confident73.3Confident15 Ų1557.6 Ų57.69%0.09132%0.322CS..EExtended strand (participates in β ladder)trans-104.5106.3-177.8-176.40000109.4L8 Y10 C497 A610 W611L8-V509 HydrophobicContact CB-CG1 4.42Å; L8-V509 HydrophobicContact CD1-CG1 3.95Å; L8-V509 HydrophobicContact CD2-CG1 4.41Å; L8-V509 HydrophobicContact CG-CG1 4.49Å; Y10-V509 HydrophobicContact CD1-CG2 3.88Å; Y10-V509 HydrophobicContact CE1-CG1 4.31Å; Y10-V509 HydrophobicContact CE1-CG2 3.72Å; C497-V509 PolarHBondContact SG-O 3.31Å; V509-A610 HydrophobicContact CG1-CB 4.2Å; V509-A610 HydrophobicContact CG2-CB 4.36Å; V509-W611 HydrophobicContact CB-CH2 4.49Å; V509-W611 HydrophobicContact CB-CZ3 4.22Å; V509-W611 HydrophobicContact CG1-CE3 4.43Å; V509-W611 HydrophobicContact CG1-CH2 3.95Å; V509-W611 HydrophobicContact CG1-CZ2 4.12Å; V509-W611 HydrophobicContact CG1-CZ3 4.09Å; V509-W611 WeakPolarHBondContact O-CH2 3.23Å; V509-W611 WeakPolarHBondContact O-CZ3 3.45Å
510A85.1Confident74.6Confident0 Ų052.8 Ų52.80%030%0.295CS..EExtended strand (participates in β ladder)trans-111149.1-17500000111.8L8 I9 W11 H493L8-A510 CarbonylContact C-O 3.51Å; L8-A510 WeakPolarHBondContact CA-O 3.44Å; I9-A510 PolarHBondContact N-O 2.68Å; I9-A510 PolarHBondContact O-N 3.14Å; W11-A510 HydrophobicContact CE3-CB 4.37Å; H493-A510 HydrophobicContact CB-CB 4.29Å; H493-A510 WeakPolarHBondContact O-CB 3.42Å
511V87.4Confident76.3Confident0 Ų055.5 Ų55.50%031%0.31CS..EExtended strand (participates in β ladder)trans-81.2133.9170.7-175.30000109.3A515 I516 W611V511-A515 HydrophobicContact CG1-CB 4.43Å; V511-I516 HydrophobicContact CB-CD1 4.34Å; V511-I516 HydrophobicContact CG1-CD1 4.24Å; V511-I516 HydrophobicContact CG1-CG1 3.88Å; V511-W611 HydrophobicContact CG2-CH2 4.26Å; V511-W611 HydrophobicContact CG2-CZ2 4.38Å
512R87.6Confident78.1Confident55 Ų5555.6 Ų55.621%0.20830%0.303CS..  trans-55.7124.3172.9-76.2-177.7170.291.44.1109.5D3 T6 S7 L8 I9 M514 A515 I516D3-R512 PolarHBondContact O-NH1 2.97Å; D3-R512 PolarHBondContact O-NH2 3.22Å; T6-R512 PolarHBondContact O-NH1 3Å; T6-R512 PolarHBondContact OG1-NH1 3.32Å; S7-R512 WeakPolarHBondContact O-CB 3.39Å; S7-R512 WeakPolarHBondContact O-CG 3.41Å; S7-R512 PolarHBondContact O-N 3.18Å; L8-R512 PolarHBondContact O-NH1 3.17Å; I9-R512 HydrophobicContact CD1-CG 3.78Å; I9-R512 HydrophobicContact CG1-CB 4.48Å; I9-R512 HydrophobicContact CG1-CG 3.4Å; I9-R512 VanDerWaalsContact CG1-CG 3.4Å; R512-M514 PolarHBondContact O-N 3.42Å; R512-A515 HydrophobicContact CB-CB 4.2Å; R512-A515 WeakPolarHBondContact O-CB 3.47Å; R512-A515 PolarHBondContact O-N 3.11Å; R512-I516 PolarHBondContact O-N 2.91Å
513P87.5Confident80.3Confident17 Ų1754.3 Ų54.311%0.1130%0.295CS..Hα-helixtrans-56.5-36.5178.2-26.233.1000113.3Y307 H493 A515 I516 W517Y307-P513 HydrophobicContact CE2-CB 4.22Å; Y307-P513 HydrophobicContact CE2-CG 4.11Å; H493-P513 WeakPolarHBondContact NE2-CD 3.46Å; H493-P513 WeakPolarHBondContact NE2-CG 3.39Å; P513-A515 PolarHBondContact O-N 3.16Å; P513-I516 WeakPolarHBondContact O-CA 3.41Å; P513-I516 WeakPolarHBondContact O-CB 3.44Å; P513-I516 PolarHBondContact O-N 2.95Å; P513-W517 PolarHBondContact O-N 3.13Å
514M86.6Confident82.3Confident127 Ų12753.9 Ų53.963%0.62627%0.266SS*.Hα-helixtrans-58.3-33.7175.9-163.765.27500112.5R512 W517 N518R512-M514 PolarHBondContact O-N 3.42Å; M514-W517 PolarHBondContact O-N 3.05Å; M514-N518 WeakPolarHBondContact O-CB 3.32Å; M514-N518 PolarHBondContact O-N 3.49Å; M514-N518 PolarHBondContact O-OD1 3.46Å
515A88.9Confident84.4Confident10 Ų1046.8 Ų46.88%0.08323%0.23CC..Hα-helixtrans-71.2-34.2176.200000111.9V511 R512 P513 A519 C868V511-A515 HydrophobicContact CG1-CB 4.43Å; R512-A515 HydrophobicContact CB-CB 4.2Å; R512-A515 WeakPolarHBondContact O-CB 3.47Å; R512-A515 PolarHBondContact O-N 3.11Å; P513-A515 PolarHBondContact O-N 3.16Å; A515-A519 WeakPolarHBondContact O-CB 2.97Å; A515-A519 PolarHBondContact O-N 3.01Å; A515-C868 HydrophobicContact CB-CB 4.19Å
516I90.3Very high86.2Confident8 Ų844.9 Ų44.94%0.04121%0.213CC..Hα-helixtrans-68.5-43.6173.5-55.1166.4000110.1P492 Y496 V511 R512 P513 A519 M520 I585 F869P492-I516 HydrophobicContact CB-CD1 4.04Å; Y496-I516 HydrophobicContact CD2-CD1 3.47Å; Y496-I516 VanDerWaalsContact CD2-CD1 3.47Å; Y496-I516 HydrophobicContact CE2-CD1 3.62Å; Y496-I516 HydrophobicContact CE2-CG1 4.37Å; Y496-I516 HydrophobicContact CE2-CG2 4.26Å; Y496-I516 HydrophobicContact CG-CD1 4.35Å; V511-I516 HydrophobicContact CB-CD1 4.34Å; V511-I516 HydrophobicContact CG1-CD1 4.24Å; V511-I516 HydrophobicContact CG1-CG1 3.88Å; R512-I516 PolarHBondContact O-N 2.91Å; P513-I516 WeakPolarHBondContact O-CA 3.41Å; P513-I516 WeakPolarHBondContact O-CB 3.44Å; P513-I516 PolarHBondContact O-N 2.95Å; I516-A519 PolarHBondContact O-N 3.15Å; I516-M520 HydrophobicContact CG2-SD 4.25Å; I516-M520 WeakPolarHBondContact O-CG 3.39Å; I516-M520 PolarHBondContact O-N 3.38Å; I516-I585 HydrophobicContact CG2-CG2 3.95Å; I516-F869 HydrophobicContact CG1-CE1 4.12Å; I516-F869 HydrophobicContact CG2-CE1 4.33Å; I516-F869 HydrophobicContact CG2-CZ 4.49Å
517W89.4Confident87.8Confident75 Ų7537 Ų3728%0.28418%0.179SC..Hα-helixtrans-61.4-48.9175.1-70.7120.3000112.2L113 P513 M514 A519 M520 D521 Y586L113-W517 HydrophobicContact CD2-CH2 3.8Å; L113-W517 HydrophobicContact CD2-CZ2 4.02Å; P513-W517 PolarHBondContact O-N 3.13Å; M514-W517 PolarHBondContact O-N 3.05Å; W517-A519 VanDerWaalsContact C-N 3.25Å; W517-A519 PolarHBondContact O-N 3.45Å; W517-M520 HydrophobicContact CE3-CE 3.96Å; W517-M520 HydrophobicContact CE3-SD 4Å; W517-M520 HydrophobicContact CZ3-CE 3.71Å; W517-M520 HydrophobicContact CZ3-SD 4.21Å; W517-M520 WeakPolarHBondContact O-CB 3.4Å; W517-M520 PolarHBondContact O-N 3.19Å; W517-D521 PolarHBondContact O-N 3.26Å; W517-Y586 AromaticContact CH2-CD2 3.42Å; W517-Y586 HydrophobicContact CH2-CD2 3.42Å; W517-Y586 VanDerWaalsContact CH2-CD2 3.42Å; W517-Y586 AromaticContact CH2-CE2 3.41Å; W517-Y586 HydrophobicContact CH2-CE2 3.41Å; W517-Y586 VanDerWaalsContact CH2-CE2 3.41Å; W517-Y586 AromaticContact CZ2-CD2 3.89Å; W517-Y586 HydrophobicContact CZ2-CD2 3.89Å; W517-Y586 AromaticContact CZ2-CE2 3.56Å; W517-Y586 HydrophobicContact CZ2-CE2 3.56Å; W517-Y586 AromaticContact CZ3-CD2 3.99Å; W517-Y586 HydrophobicContact CZ3-CD2 3.99Å; W517-Y586 HydrophobicContact CZ3-CE2 4.41Å
518N90.6Very high89Confident54 Ų5434.5 Ų34.529%0.28916%0.162SC..Hα-helixtrans-56.5-40.8175-71.54.6000111.6M514 K522 W874M514-N518 WeakPolarHBondContact O-CB 3.32Å; M514-N518 PolarHBondContact O-N 3.49Å; M514-N518 PolarHBondContact O-OD1 3.46Å; N518-K522 VanDerWaalsContact O-CB 3.27Å; N518-K522 WeakPolarHBondContact O-CB 3.35Å; N518-K522 WeakPolarHBondContact O-CG 3.42Å; N518-K522 PolarHBondContact O-N 2.89Å; N518-W874 HydrophobicContact CB-CD2 4.35Å; N518-W874 HydrophobicContact CB-CG 4.4Å
519A91.4Very high90Very high0 Ų034 Ų340%016%0.16CC..Hα-helixtrans-69.5-34.7176.600000113A515 I516 W517 K522 I523 I592 V865 C868 F869A515-A519 WeakPolarHBondContact O-CB 2.97Å; A515-A519 PolarHBondContact O-N 3.01Å; I516-A519 PolarHBondContact O-N 3.15Å; W517-A519 VanDerWaalsContact C-N 3.25Å; W517-A519 PolarHBondContact O-N 3.45Å; A519-K522 CarbonylContact O-C 3.54Å; A519-K522 PolarHBondContact O-N 3.43Å; A519-I523 PolarHBondContact O-N 3.11Å; A519-I592 HydrophobicContact CB-CD1 3.98Å; A519-I592 WeakPolarHBondContact O-CD1 3.46Å; A519-V865 HydrophobicContact CB-CG1 4.22Å; A519-V865 WeakPolarHBondContact CB-O 3.49Å; A519-C868 VanDerWaalsContact CB-SG 3.58Å; A519-F869 HydrophobicContact CB-CE2 4.35Å
520M92.3Very high90.5Very high18 Ų1833.4 Ų33.49%0.08916%0.156CC..Hα-helixtrans-63.8-47.5173.1-76.8173.157.700112I516 W517 K522 I523 L582 I585 Y586I516-M520 HydrophobicContact CG2-SD 4.25Å; I516-M520 WeakPolarHBondContact O-CG 3.39Å; I516-M520 PolarHBondContact O-N 3.38Å; W517-M520 HydrophobicContact CE3-CE 3.96Å; W517-M520 HydrophobicContact CE3-SD 4Å; W517-M520 HydrophobicContact CZ3-CE 3.71Å; W517-M520 HydrophobicContact CZ3-SD 4.21Å; W517-M520 WeakPolarHBondContact O-CB 3.4Å; W517-M520 PolarHBondContact O-N 3.19Å; M520-K522 PolarHBondContact O-N 3.32Å; M520-K522 VanDerWaalsContact O-N 3.16Å; M520-I523 VanDerWaalsContact O-CG2 3.23Å; M520-I523 WeakPolarHBondContact O-CG2 3.27Å; M520-I523 PolarHBondContact O-N 3.07Å; M520-L582 HydrophobicContact CB-CD2 3.67Å; M520-L582 HydrophobicContact CE-CB 4.45Å; M520-L582 HydrophobicContact CE-CD2 3.97Å; M520-L582 HydrophobicContact CG-CD2 3.88Å; M520-I585 HydrophobicContact CG-CB 4.3Å; M520-I585 HydrophobicContact CG-CG2 3.64Å; M520-I585 HydrophobicContact SD-CG2 3.97Å; M520-Y586 HydrophobicContact CE-CD2 4.47Å
521D91Very high91Very high115 Ų11534 Ų3462%0.61516%0.159SC*.Hα-helixtrans-62.8-23.4177.1-72.3-14.1000113.1W517 R524W517-D521 PolarHBondContact O-N 3.26Å; D521-R524 PolarHBondContact O-NH1 2.9Å; D521-R524 PolarHBondContact O-NH2 3.03Å
522K89.6Confident91.2Very high95 Ų9535.6 Ų35.641%0.41317%0.168SC..Hα-helixtrans-106.1-0.2-173.8-58.2-83.9-172.31680112.8N518 A519 M520 V865 W874N518-K522 VanDerWaalsContact O-CB 3.27Å; N518-K522 WeakPolarHBondContact O-CB 3.35Å; N518-K522 WeakPolarHBondContact O-CG 3.42Å; N518-K522 PolarHBondContact O-N 2.89Å; A519-K522 CarbonylContact O-C 3.54Å; A519-K522 PolarHBondContact O-N 3.43Å; M520-K522 PolarHBondContact O-N 3.32Å; M520-K522 VanDerWaalsContact O-N 3.16Å; K522-V865 HydrophobicContact CB-CG2 3.72Å; K522-W874 HydrophobicContact CB-CH2 3.86Å; K522-W874 HydrophobicContact CB-CZ2 3.87Å; K522-W874 HydrophobicContact CD-CH2 3.64Å; K522-W874 HydrophobicContact CD-CZ2 4.42Å; K522-W874 HydrophobicContact CD-CZ3 4.19Å; K522-W874 HydrophobicContact CG-CH2 3.41Å; K522-W874 VanDerWaalsContact CG-CH2 3.41Å; K522-W874 HydrophobicContact CG-CZ2 3.69Å; K522-W874 HydrophobicContact CG-CZ3 4.27Å
523I92.1Very high91.2Very high10 Ų1035.1 Ų35.15%0.05117%0.169CC..  trans-62.9141.9171.9-156.5174.8000110.6A519 M520 H527 L529 L564 L578 L582 I585 I592A519-I523 PolarHBondContact O-N 3.11Å; M520-I523 VanDerWaalsContact O-CG2 3.23Å; M520-I523 WeakPolarHBondContact O-CG2 3.27Å; M520-I523 PolarHBondContact O-N 3.07Å; I523-H527 HydrophobicContact CG1-CB 4.4Å; I523-L529 HydrophobicContact CD1-CD2 4.33Å; I523-L564 HydrophobicContact CD1-CD1 3.96Å; I523-L564 HydrophobicContact CG1-CD1 4.48Å; I523-L578 HydrophobicContact CG2-CD2 4.34Å; I523-L582 HydrophobicContact CG2-CD2 3.95Å; I523-L582 HydrophobicContact CG2-CG 4.44Å; I523-I585 HydrophobicContact CD1-CD1 3.6Å; I523-I592 HydrophobicContact CB-CD1 4.16Å; I523-I592 HydrophobicContact CD1-CD1 3.93Å; I523-I592 HydrophobicContact CD1-CG1 4.01Å; I523-I592 HydrophobicContact CD1-CG2 4.21Å; I523-I592 HydrophobicContact CG1-CD1 4.06Å; I523-I592 HydrophobicContact CG1-CG1 4.48Å; I523-I592 HydrophobicContact CG1-CG2 4.08Å
524R89.8Confident91.3Very high79 Ų7942.8 Ų42.830%0.29820%0.196SC..  trans-139.1155-178.7-56.9-63.8172.6-108.42.8110.3D521 Y526 H527D521-R524 PolarHBondContact O-NH1 2.9Å; D521-R524 PolarHBondContact O-NH2 3.03Å; R524-Y526 HydrophobicContact CB-CD1 3.74Å; R524-Y526 HydrophobicContact CB-CE1 3.31Å; R524-Y526 HydrophobicContact CB-CE2 4.16Å; R524-Y526 HydrophobicContact CB-CG 4.35Å; R524-Y526 HydrophobicContact CG-CE1 3.73Å; R524-Y526 PolarHBondContact O-N 3.34Å; R524-H527 PolarHBondContact N-CE1 2.89Å; R524-H527 PolarHBondContact N-ND1 2.6Å; R524-H527 WeakPolarHBondContact O-CB 3.31Å; R524-H527 PolarHBondContact O-N 2.99Å; R524-H527 PolarHBondContact O-ND1 3.18Å
525P90.4Very high91.5Very high6 Ų640.4 Ų40.44%0.03918%0.182CC..THydrogen-bonded Turntrans-55.8-21.4-176.5-29.136.5000116.6H527 L564 Y565 Q574 L578 F836P525-H527 VanDerWaalsContact C-N 3.3Å; P525-H527 PolarHBondContact O-N 3.28Å; P525-L564 CarbonylContact O-C 3.6Å; P525-L564 PolarHBondContact O-N 3.4Å; P525-Y565 HydrophobicContact CB-CD2 4.39Å; P525-Y565 WeakPolarHBondContact O-CB 3.17Å; P525-Y565 PolarHBondContact O-N 3.41Å; P525-Q574 HydrophobicContact CB-CG 4.39Å; P525-Q574 VanDerWaalsContact CG-CD 3.48Å; P525-Q574 HydrophobicContact CG-CG 3.9Å; P525-L578 HydrophobicContact CG-CD1 4.25Å; P525-F836 HydrophobicContact CB-CE2 4.01Å; P525-F836 HydrophobicContact CB-CZ 4.17Å; P525-F836 HydrophobicContact CG-CE2 4.12Å; P525-F836 HydrophobicContact CG-CZ 3.76Å
526Y90.4Very high91.4Very high28 Ų2843.1 Ų43.111%0.1120%0.2CC..THydrogen-bonded Turntrans-72.1-19.2176.455.4-107.7000114.1R524 S563 Y594 P595 E833 F836R524-Y526 HydrophobicContact CB-CD1 3.74Å; R524-Y526 HydrophobicContact CB-CE1 3.31Å; R524-Y526 HydrophobicContact CB-CE2 4.16Å; R524-Y526 HydrophobicContact CB-CG 4.35Å; R524-Y526 HydrophobicContact CG-CE1 3.73Å; R524-Y526 PolarHBondContact O-N 3.34Å; Y526-S563 WeakPolarHBondContact O-CB 3.36Å; Y526-Y594 HydrophobicContact CD2-CD1 4.06Å; Y526-Y594 AromaticContact CD2-CE1 3.39Å; Y526-Y594 HydrophobicContact CD2-CE1 3.39Å; Y526-Y594 HydrophobicContact CE2-CD1 4.41Å; Y526-Y594 AromaticContact CE2-CE1 3.39Å; Y526-Y594 HydrophobicContact CE2-CE1 3.39Å; Y526-Y594 AromaticContact CE2-CZ 3.53Å; Y526-Y594 VanDerWaalsContact CE2-OH 3.28Å; Y526-Y594 WeakPolarHBondContact CE2-OH 3.49Å; Y526-P595 WeakPolarHBondContact O-CD 3.49Å; Y526-P595 WeakPolarHBondContact O-CG 3.5Å; Y526-E833 HydrophobicContact CE1-CB 4.31Å; Y526-E833 HydrophobicContact CE1-CG 4.31Å; Y526-F836 HydrophobicContact CD1-CB 3.58Å; Y526-F836 HydrophobicContact CD1-CD1 4.09Å; Y526-F836 AromaticContact CD1-CD2 4Å; Y526-F836 HydrophobicContact CD1-CD2 4Å; Y526-F836 AromaticContact CD1-CG 3.61Å; Y526-F836 HydrophobicContact CD1-CG 3.61Å; Y526-F836 HydrophobicContact CE1-CB 3.97Å; Y526-F836 HydrophobicContact CE1-CD1 4.19Å; Y526-F836 HydrophobicContact CE1-CG 4.11Å
527H94.6Very high91.3Very high0 Ų043.6 Ų43.60%020%0.203CC..  trans-69.8161174.9-60.190.7000111.6I523 R524 P525 S563 L564 I592 V593 Y594I523-H527 HydrophobicContact CG1-CB 4.4Å; R524-H527 PolarHBondContact N-CE1 2.89Å; R524-H527 PolarHBondContact N-ND1 2.6Å; R524-H527 WeakPolarHBondContact O-CB 3.31Å; R524-H527 PolarHBondContact O-N 2.99Å; R524-H527 PolarHBondContact O-ND1 3.18Å; P525-H527 VanDerWaalsContact C-N 3.3Å; P525-H527 PolarHBondContact O-N 3.28Å; H527-S563 CarbonylContact O-C 3.49Å; H527-S563 VanDerWaalsContact O-CA 3.31Å; H527-S563 WeakPolarHBondContact O-CA 3.45Å; H527-L564 WeakPolarHBondContact O-CG 3.06Å; H527-L564 PolarHBondContact O-N 3.46Å; H527-I592 HydrophobicContact CB-CG2 3.85Å; H527-V593 CarbonylContact C-O 3.52Å; H527-V593 WeakPolarHBondContact CA-O 3.48Å; H527-V593 WeakPolarHBondContact CB-O 3.43Å; H527-Y594 AromaticContact CD2-CE2 3.98Å; H527-Y594 AromaticContact NE2-CE2 3.96Å; H527-Y594 AromaticContact NE2-CZ 3.99Å
528A94.7Very high91.2Very high0 Ų040.1 Ų40.10%019%0.19CC..EExtended strand (participates in β ladder)trans-117.6175.7166.700000110.1I562 V593 P595A528-I562 WeakPolarHBondContact CB-O 3.38Å; A528-V593 HydrophobicContact CB-CG2 4.06Å; A528-V593 PolarHBondContact N-O 2.82Å; A528-V593 PolarHBondContact O-N 3.38Å; A528-P595 HydrophobicContact CB-CB 4.22Å; A528-P595 HydrophobicContact CB-CG 3.99Å
529L96.1Very high91.1Very high2 Ų239.8 Ų39.81%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-119.7143.4174.7-57179.2000111.7I523 F554 L558 L564 A581 I585 A590 L591 I592I523-L529 HydrophobicContact CD1-CD2 4.33Å; L529-F554 HydrophobicContact CD1-CE1 4.4Å; L529-L558 HydrophobicContact CB-CD2 4.08Å; L529-L558 HydrophobicContact CD1-CD1 4.16Å; L529-L558 HydrophobicContact CD1-CD2 4.02Å; L529-L558 HydrophobicContact CG-CD2 4.29Å; L529-L564 HydrophobicContact CD1-CD2 4.42Å; L529-L564 HydrophobicContact CG-CD2 4.36Å; L529-A581 HydrophobicContact CD1-CB 3.8Å; L529-I585 HydrophobicContact CD2-CD1 3.98Å; L529-I585 HydrophobicContact CD2-CG1 4.27Å; L529-A590 HydrophobicContact CB-CB 4.34Å; L529-A590 HydrophobicContact CD1-CB 4.24Å; L529-A590 HydrophobicContact CD2-CB 4.5Å; L529-L591 WeakPolarHBondContact CA-O 3.37Å; L529-I592 HydrophobicContact CD2-CG1 4.48Å
530I95.4Very high90.7Very high3 Ų347 Ų472%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-107.8115.6163.3-62.5-172.8000108.5L532 P560 A590 L591 V593 A687 L690 R691I530-L532 PolarHBondContact O-N 2.9Å; I530-P560 HydrophobicContact CD1-CB 4.49Å; I530-P560 HydrophobicContact CG1-CB 4.17Å; I530-A590 CarbonylContact O-C 3.52Å; I530-A590 WeakPolarHBondContact O-CA 3.31Å; I530-L591 HydrophobicContact CB-CB 4.48Å; I530-L591 PolarHBondContact N-O 3.26Å; I530-L591 PolarHBondContact O-N 3.48Å; I530-V593 HydrophobicContact CD1-CG1 3.74Å; I530-V593 HydrophobicContact CD1-CG2 4.19Å; I530-V593 HydrophobicContact CG1-CB 4.48Å; I530-V593 HydrophobicContact CG1-CG1 3.88Å; I530-V593 HydrophobicContact CG1-CG2 3.76Å; I530-A687 HydrophobicContact CD1-CB 4.24Å; I530-L690 HydrophobicContact CD1-CB 3.81Å; I530-L690 HydrophobicContact CD1-CD1 3.8Å; I530-L690 HydrophobicContact CD1-CG 4.49Å; I530-R691 HydrophobicContact CG2-CB 4.14Å
531L94.6Very high90.2Very high11 Ų1149.8 Ų49.86%0.05823%0.23CC..EExtended strand (participates in β ladder)trans-66.2129.8170.1-63.8176.1000110K535 L538 I555 L558 L584 H589 A590 R691L531-K535 HydrophobicContact CD1-CG 3.76Å; L531-L538 HydrophobicContact CD1-CD2 4.15Å; L531-L538 HydrophobicContact CD2-CD2 3.89Å; L531-I555 HydrophobicContact CD1-CG2 4.12Å; L531-L558 HydrophobicContact CD1-CD1 4.29Å; L531-L558 HydrophobicContact CD2-CD1 3.8Å; L531-L558 HydrophobicContact CG-CD1 4.09Å; L531-L584 HydrophobicContact CD2-CD1 4.29Å; L531-H589 WeakPolarHBondContact CA-O 3.4Å; L531-A590 HydrophobicContact CD2-CB 4.37Å; L531-R691 VanDerWaalsContact O-CZ 3.25Å; L531-R691 PolarHBondContact O-NE 2.73Å; L531-R691 PolarHBondContact O-NH2 3.18Å
532L91.3Very high89.8Confident35 Ų3547 Ų4718%0.18321%0.212CC..SBendtrans-66.9-42.3179.1-73.3171.1000111.4Y496 I530 G588 H589 L591 R691Y496-L532 HydrophobicContact CD1-CD1 3.81Å; Y496-L532 HydrophobicContact CE1-CD1 3.78Å; I530-L532 PolarHBondContact O-N 2.9Å; L532-G588 WeakPolarHBondContact CD1-O 3.28Å; L532-H589 PolarHBondContact N-O 3.15Å; L532-L591 HydrophobicContact CD2-CD1 3.71Å; L532-L591 HydrophobicContact CD2-CD2 4.15Å; L532-L591 HydrophobicContact CD2-CG 3.7Å; L532-L591 HydrophobicContact CG-CG 4.24Å; L532-R691 HydrophobicContact CD2-CG 4.24Å; L532-R691 WeakPolarHBondContact O-CD 3.48Å; L532-R691 PolarHBondContact O-NE 3.36Å
533L88.6Confident89.5Confident44 Ų4442.7 Ų42.723%0.2319%0.193CC..SBendtrans-94.9165.8174.5-70.391.3000112.2D537 L538 Y542L533-D537 HydrophobicContact CD2-CB 4.48Å; L533-L538 HydrophobicContact CB-CB 4.41Å; L533-Y542 HydrophobicContact CD2-CD2 3.69Å; L533-Y542 HydrophobicContact CD2-CE2 3.19Å
534R88.3Confident88.9Confident179 Ų17943.7 Ų43.768%0.67520%0.2SC*.  trans-66.7142.5167.4-59.7-179.4-63.3-167.32.6109.3S536 D537 L538R534-S536 PolarHBondContact O-N 3.19Å; R534-S536 VanDerWaalsContact O-N 3.15Å; R534-D537 IonicContact CZ-OD2 2.68Å; R534-D537 IonicContact NE-OD2 3.86Å; R534-D537 PolarHBondContact NE-OD2 2.9Å; R534-D537 IonicContact NH2-OD1 3.77Å; R534-D537 IonicContact NH2-OD2 2.66Å; R534-D537 PolarHBondContact NH2-OD2 3.17Å; R534-D537 PolarHBondContact O-N 2.7Å; R534-L538 PolarHBondContact O-N 3.08Å
535K91Very high88.1Confident76 Ų7645.4 Ų45.433%0.3322%0.22SC..Hα-helixtrans-50.2-42.2-178.7-68.3-179.4178.5-177.90112.8L531 D537 L539 I555 N556 L558L531-K535 HydrophobicContact CD1-CG 3.76Å; K535-D537 PolarHBondContact O-N 3.16Å; K535-L539 WeakPolarHBondContact O-CB 3.42Å; K535-L539 VanDerWaalsContact O-CG 3.28Å; K535-L539 WeakPolarHBondContact O-CG 3.45Å; K535-L539 PolarHBondContact O-N 2.76Å; K535-I555 HydrophobicContact CB-CG2 4.45Å; K535-I555 WeakPolarHBondContact CD-O 3.15Å; K535-I555 WeakPolarHBondContact CE-O 3.26Å; K535-I555 HydrophobicContact CG-CG2 4.3Å; K535-I555 PolarHBondContact NZ-O 3.47Å; K535-N556 PolarHBondContact NZ-O 3.21Å; K535-L558 VanDerWaalsContact CE-O 3.26Å; K535-L558 WeakPolarHBondContact CE-O 3.28Å; K535-L558 PolarHBondContact NZ-O 3.01Å
536S87.3Confident87.4Confident67 Ų6750.8 Ų50.847%0.46925%0.248SC..Hα-helixtrans-60.9-40.3178.354.90000114.2R534 R540R534-S536 PolarHBondContact O-N 3.19Å; R534-S536 VanDerWaalsContact O-N 3.15Å; S536-R540 VanDerWaalsContact O-CB 3.28Å; S536-R540 WeakPolarHBondContact O-CB 3.07Å; S536-R540 PolarHBondContact O-N 3.33Å
537D88Confident87Confident19 Ų1951.3 Ų51.310%0.10225%0.252CS..Hα-helixtrans-82.5-37.8-175-54.4-32.6000110.2L533 R534 K535 L539 R540 D541L533-D537 HydrophobicContact CD2-CB 4.48Å; R534-D537 IonicContact CZ-OD2 2.68Å; R534-D537 IonicContact NE-OD2 3.86Å; R534-D537 PolarHBondContact NE-OD2 2.9Å; R534-D537 IonicContact NH2-OD1 3.77Å; R534-D537 IonicContact NH2-OD2 2.66Å; R534-D537 PolarHBondContact NH2-OD2 3.17Å; R534-D537 PolarHBondContact O-N 2.7Å; K535-D537 PolarHBondContact O-N 3.16Å; D537-L539 PolarHBondContact O-N 2.91Å; D537-R540 PolarHBondContact O-N 2.66Å; D537-R540 IonicContact OD1-CZ 3.41Å; D537-R540 IonicContact OD1-NH1 2.89Å; D537-R540 PolarHBondContact OD1-NH1 3.28Å; D537-R540 IonicContact OD1-NH2 3.11Å; D537-R540 PolarHBondContact OD1-NH2 3.21Å; D537-D541 WeakPolarHBondContact O-CB 3.39Å; D537-D541 PolarHBondContact O-N 3.1Å
538L88.8Confident86.5Confident1 Ų155.1 Ų55.11%0.00527%0.273CS..Iπ-helixtrans-56.4-48.4171179.461.7000111.4L531 L533 R534 R540 L543 I555 L584 H589L531-L538 HydrophobicContact CD1-CD2 4.15Å; L531-L538 HydrophobicContact CD2-CD2 3.89Å; L533-L538 HydrophobicContact CB-CB 4.41Å; R534-L538 PolarHBondContact O-N 3.08Å; L538-R540 VanDerWaalsContact C-N 3.31Å; L538-R540 PolarHBondContact O-N 2.9Å; L538-L543 HydrophobicContact CD1-CD1 4.2Å; L538-L543 HydrophobicContact CD1-CG 4.31Å; L538-L543 HydrophobicContact CG-CD1 3.84Å; L538-L543 HydrophobicContact CG-CG 4.44Å; L538-L543 WeakPolarHBondContact O-CD1 3.13Å; L538-L543 VanDerWaalsContact O-CG 3.29Å; L538-L543 WeakPolarHBondContact O-CG 3.12Å; L538-L543 PolarHBondContact O-N 3.38Å; L538-I555 HydrophobicContact CD2-CD1 4.21Å; L538-I555 HydrophobicContact CD2-CG1 4.47Å; L538-I555 HydrophobicContact CD2-CG2 4.2Å; L538-L584 HydrophobicContact CD2-CD2 4.44Å; L538-H589 HydrophobicContact CD1-CB 3.88Å
539L87.4Confident86.2Confident48 Ų4859.1 Ų59.125%0.25130%0.299SS..Iπ-helixtrans-71.1-18.8179.5-71.7171.3000114.7K535 D537 L543 K552 I555K535-L539 WeakPolarHBondContact O-CB 3.42Å; K535-L539 VanDerWaalsContact O-CG 3.28Å; K535-L539 WeakPolarHBondContact O-CG 3.45Å; K535-L539 PolarHBondContact O-N 2.76Å; D537-L539 PolarHBondContact O-N 2.91Å; L539-L543 HydrophobicContact CD2-CD1 3.93Å; L539-K552 HydrophobicContact CD1-CG 4.47Å; L539-K552 HydrophobicContact CD2-CB 4.33Å; L539-K552 HydrophobicContact CD2-CG 3.99Å; L539-I555 HydrophobicContact CD1-CG2 4.26Å; L539-I555 HydrophobicContact CD2-CD1 4.04Å; L539-I555 HydrophobicContact CD2-CG2 4.26Å; L539-I555 HydrophobicContact CG-CG2 4.14Å
540R84.1Confident85.8Confident150 Ų15060.2 Ų60.257%0.56631%0.306SS*.Iπ-helixtrans-100-45.7-177.3-175.8-173.663.3-117.9-14.7113.1S536 D537 L538S536-R540 VanDerWaalsContact O-CB 3.28Å; S536-R540 WeakPolarHBondContact O-CB 3.07Å; S536-R540 PolarHBondContact O-N 3.33Å; D537-R540 PolarHBondContact O-N 2.66Å; D537-R540 IonicContact OD1-CZ 3.41Å; D537-R540 IonicContact OD1-NH1 2.89Å; D537-R540 PolarHBondContact OD1-NH1 3.28Å; D537-R540 IonicContact OD1-NH2 3.11Å; D537-R540 PolarHBondContact OD1-NH2 3.21Å; L538-R540 VanDerWaalsContact C-N 3.31Å; L538-R540 PolarHBondContact O-N 2.9Å
541D81Confident85.6Confident78 Ų7860.7 Ų60.742%0.41731%0.308SS..Iπ-helixtrans-104.1-29.1-164-49.7-38.1000113D537D537-D541 WeakPolarHBondContact O-CB 3.39Å; D537-D541 PolarHBondContact O-N 3.1Å
542Y82.5Confident85.4Confident56 Ų5665.2 Ų65.222%0.2233%0.327CS..Iπ-helixtrans-110-20.2-168.8-68.7-91.4000114.4T474 H476 N478 L533 H589T474-Y542 HydrophobicContact CG2-CE1 4.42Å; H476-Y542 HydrophobicContact CB-CD1 3.64Å; H476-Y542 HydrophobicContact CB-CE1 3.84Å; H476-Y542 AromaticContact CD2-CD1 3.85Å; H476-Y542 AromaticContact CD2-CE1 3.56Å; H476-Y542 AromaticContact CG-CD1 3.73Å; H476-Y542 AromaticContact CG-CE1 3.86Å; N478-Y542 PolarHBondContact ND2-O 3.37Å; L533-Y542 HydrophobicContact CD2-CD2 3.69Å; L533-Y542 HydrophobicContact CD2-CE2 3.19Å; Y542-H589 AromaticContact CD1-CE1 3.86Å
543L83.4Confident85.4Confident5 Ų567.6 Ų67.63%0.02634%0.34CS..SBendtrans-103.2145.8-176.6-67.7172.1000110.8N478 L538 L539 I547 I555 W583N478-L543 VanDerWaalsContact ND2-C 3.26Å; N478-L543 PolarHBondContact ND2-O 3.48Å; L538-L543 HydrophobicContact CD1-CD1 4.2Å; L538-L543 HydrophobicContact CD1-CG 4.31Å; L538-L543 HydrophobicContact CG-CD1 3.84Å; L538-L543 HydrophobicContact CG-CG 4.44Å; L538-L543 WeakPolarHBondContact O-CD1 3.13Å; L538-L543 VanDerWaalsContact O-CG 3.29Å; L538-L543 WeakPolarHBondContact O-CG 3.12Å; L538-L543 PolarHBondContact O-N 3.38Å; L539-L543 HydrophobicContact CD2-CD1 3.93Å; L543-I547 HydrophobicContact CB-CD1 3.97Å; L543-I547 HydrophobicContact CD1-CD1 3.68Å; L543-I547 HydrophobicContact CD2-CD1 4.05Å; L543-I547 HydrophobicContact CG-CD1 4.1Å; L543-I555 HydrophobicContact CD1-CD1 3.54Å; L543-W583 HydrophobicContact CD2-CH2 3.4Å; L543-W583 VanDerWaalsContact CD2-CH2 3.4Å; L543-W583 HydrophobicContact CD2-CZ3 3.61Å
544P78.7Confident85.6Confident30 Ų3065.5 Ų65.520%0.19533%0.329CS..  trans-59.1148173.4-25.135.3000111.7D546 I547P544-D546 PolarHBondContact O-N 3.02Å; P544-I547 WeakPolarHBondContact O-CB 3.48Å; P544-I547 PolarHBondContact O-N 3.35Å
545T73.5Confident85.8Confident116 Ų11657 Ų5771%0.71230%0.297SS*.THydrogen-bonded Turntrans-56.2-32.2174.747.10000112.8K480 I547K480-T545 PolarHBondContact NZ-OG1 2.76Å; T545-I547 VanDerWaalsContact C-N 3.3Å; T545-I547 PolarHBondContact O-N 2.77Å
546D76.5Confident85.8Confident118 Ų11857 Ų5763%0.63130%0.301SS*.THydrogen-bonded Turntrans-100.235.2-171.7-16.8-52.3000110.5K480 P544K480-D546 VanDerWaalsContact CE-OD2 3.28Å; K480-D546 WeakPolarHBondContact CE-OD2 3.43Å; K480-D546 VanDerWaalsContact NZ-CG 3.29Å; K480-D546 IonicContact NZ-OD1 3.56Å; K480-D546 PolarHBondContact NZ-OD1 2.78Å; K480-D546 VanDerWaalsContact NZ-OD1 3.1Å; K480-D546 IonicContact NZ-OD2 3.56Å; K480-D546 PolarHBondContact NZ-OD2 3.38Å; P544-D546 PolarHBondContact O-N 3.02Å
547I80.9Confident86.1Confident39 Ų3955.8 Ų55.820%0.229%0.294CS..  trans-63.5138.6-179.7-176.3162.1000111.9L543 P544 T545 L551L543-I547 HydrophobicContact CB-CD1 3.97Å; L543-I547 HydrophobicContact CD1-CD1 3.68Å; L543-I547 HydrophobicContact CD2-CD1 4.05Å; L543-I547 HydrophobicContact CG-CD1 4.1Å; P544-I547 WeakPolarHBondContact O-CB 3.48Å; P544-I547 PolarHBondContact O-N 3.35Å; T545-I547 VanDerWaalsContact C-N 3.3Å; T545-I547 PolarHBondContact O-N 2.77Å; I547-L551 HydrophobicContact CD1-CB 4.32Å; I547-L551 HydrophobicContact CD1-CD2 3.79Å; I547-L551 HydrophobicContact CD1-CG 3.93Å; I547-L551 HydrophobicContact CG1-CB 4.28Å; I547-L551 HydrophobicContact CG1-CD2 4.18Å; I547-L551 HydrophobicContact CG1-CG 4.39Å
548N84.5Confident86.4Confident81 Ų8155.3 Ų55.343%0.43329%0.292SS..  trans-51.5123.2171.3177.3-17000110.1T550 L551 K552N548-T550 PolarHBondContact O-N 2.91Å; N548-T550 WeakPolarHBondContact OD1-CB 3.39Å; N548-T550 PolarHBondContact OD1-N 2.96Å; N548-T550 PolarHBondContact OD1-OG1 3.47Å; N548-L551 PolarHBondContact O-N 3.08Å; N548-K552 PolarHBondContact O-N 3.19Å
549P87.6Confident86.6Confident84 Ų8456.7 Ų56.755%0.54530%0.302SS..Hα-helixtrans-55.9-35.8-178.421.9-33.4000112.7L551 K552 D553P549-L551 VanDerWaalsContact C-N 3.25Å; P549-L551 PolarHBondContact O-N 3.25Å; P549-K552 WeakPolarHBondContact O-CA 3.48Å; P549-K552 WeakPolarHBondContact O-CB 3.45Å; P549-K552 PolarHBondContact O-N 2.75Å; P549-D553 PolarHBondContact O-N 3.19Å
550T89.2Confident86.8Confident25 Ų2555.9 Ų55.915%0.15330%0.3CS..Hα-helixtrans-60.7-32.3177.6-43.80000112.7N548 F554 F571 H576 L580N548-T550 PolarHBondContact O-N 2.91Å; N548-T550 WeakPolarHBondContact OD1-CB 3.39Å; N548-T550 PolarHBondContact OD1-N 2.96Å; N548-T550 PolarHBondContact OD1-OG1 3.47Å; T550-F554 WeakPolarHBondContact O-CB 2.99Å; T550-F554 PolarHBondContact O-N 3.02Å; T550-F571 HydrophobicContact CG2-CD1 3.97Å; T550-F571 HydrophobicContact CG2-CE1 4.21Å; T550-H576 WeakPolarHBondContact CG2-NE2 3.44Å; T550-L580 HydrophobicContact CG2-CD1 4.41Å
551L89.8Confident87.2Confident13 Ų1351.4 Ų51.47%0.06829%0.289CS..Hα-helixtrans-75.2-35.1174.117855.6000111.8I547 N548 P549 F554 I555 L580 W583 L584I547-L551 HydrophobicContact CD1-CB 4.32Å; I547-L551 HydrophobicContact CD1-CD2 3.79Å; I547-L551 HydrophobicContact CD1-CG 3.93Å; I547-L551 HydrophobicContact CG1-CB 4.28Å; I547-L551 HydrophobicContact CG1-CD2 4.18Å; I547-L551 HydrophobicContact CG1-CG 4.39Å; N548-L551 PolarHBondContact O-N 3.08Å; P549-L551 VanDerWaalsContact C-N 3.25Å; P549-L551 PolarHBondContact O-N 3.25Å; L551-F554 HydrophobicContact CD1-CD1 4.35Å; L551-F554 PolarHBondContact O-N 2.88Å; L551-I555 HydrophobicContact CD1-CD1 4.04Å; L551-I555 HydrophobicContact CD1-CG1 4.18Å; L551-I555 HydrophobicContact CG-CD1 4.06Å; L551-I555 WeakPolarHBondContact O-CB 3.27Å; L551-I555 WeakPolarHBondContact O-CD1 3.23Å; L551-I555 VanDerWaalsContact O-CG1 3.23Å; L551-I555 WeakPolarHBondContact O-CG1 3.41Å; L551-I555 PolarHBondContact O-N 2.73Å; L551-L580 HydrophobicContact CB-CD2 4.09Å; L551-L580 HydrophobicContact CD1-CB 4.22Å; L551-L580 HydrophobicContact CD1-CD2 4.05Å; L551-L580 HydrophobicContact CG-CD2 4.47Å; L551-W583 HydrophobicContact CD2-CD2 4.42Å; L551-W583 HydrophobicContact CD2-CE3 4.07Å; L551-W583 HydrophobicContact CD2-CZ3 4.14Å; L551-L584 HydrophobicContact CD1-CD1 4.38Å; L551-L584 HydrophobicContact CD1-CG 4.4Å
552K90.6Very high87.7Confident105 Ų10550.8 Ų50.846%0.45729%0.285SS..Hα-helixtrans-63.1-45172.4-179.7-179.3179.1-177.60110.9L539 N548 P549 I555 N556L539-K552 HydrophobicContact CD1-CG 4.47Å; L539-K552 HydrophobicContact CD2-CB 4.33Å; L539-K552 HydrophobicContact CD2-CG 3.99Å; N548-K552 PolarHBondContact O-N 3.19Å; P549-K552 WeakPolarHBondContact O-CA 3.48Å; P549-K552 WeakPolarHBondContact O-CB 3.45Å; P549-K552 PolarHBondContact O-N 2.75Å; K552-I555 PolarHBondContact O-N 3.44Å; K552-N556 VanDerWaalsContact O-CG 3.24Å; K552-N556 PolarHBondContact O-N 3.16Å; K552-N556 PolarHBondContact O-ND2 2.79Å
553D91.1Very high88.2Confident85 Ų8548.8 Ų48.846%0.45528%0.279SS..Hα-helixtrans-68.2-38.2177.8-63.6-28.2000111.7P549 N556 A557 F571P549-D553 PolarHBondContact O-N 3.19Å; D553-N556 WeakPolarHBondContact O-CB 3.42Å; D553-N556 PolarHBondContact O-N 2.69Å; D553-A557 WeakPolarHBondContact O-CB 3.47Å; D553-A557 PolarHBondContact O-N 3.12Å; D553-F571 HydrophobicContact CB-CE1 4.22Å; D553-F571 HydrophobicContact CB-CZ 4.34Å
554F93.2Very high88.7Confident0 Ų048.7 Ų48.70%028%0.278CS..Hα-helixtrans-59.1-49171.1-176.1-91.8000111.7L529 T550 L551 N556 A557 L558 L564 L567 F571 C577 L580 A581 L584L529-F554 HydrophobicContact CD1-CE1 4.4Å; T550-F554 WeakPolarHBondContact O-CB 2.99Å; T550-F554 PolarHBondContact O-N 3.02Å; L551-F554 HydrophobicContact CD1-CD1 4.35Å; L551-F554 PolarHBondContact O-N 2.88Å; F554-N556 VanDerWaalsContact C-N 3.26Å; F554-N556 PolarHBondContact O-N 2.89Å; F554-A557 PolarHBondContact O-N 2.96Å; F554-A557 VanDerWaalsContact O-N 3.13Å; F554-L558 HydrophobicContact CD1-CD1 4.09Å; F554-L558 HydrophobicContact CD1-CG 4.17Å; F554-L558 HydrophobicContact CE1-CD1 3.88Å; F554-L558 HydrophobicContact CE1-CD2 4.02Å; F554-L558 HydrophobicContact CE1-CG 4.01Å; F554-L558 HydrophobicContact CZ-CD2 4.21Å; F554-L558 WeakPolarHBondContact O-CG 3.5Å; F554-L558 PolarHBondContact O-N 2.94Å; F554-L564 HydrophobicContact CE2-CD2 4.39Å; F554-L564 HydrophobicContact CZ-CD2 3.88Å; F554-L567 HydrophobicContact CD2-CD2 3.54Å; F554-L567 HydrophobicContact CE2-CD1 4.36Å; F554-L567 HydrophobicContact CE2-CD2 3.5Å; F554-L567 VanDerWaalsContact CE2-CD2 3.5Å; F554-F571 HydrophobicContact CB-CE1 4.04Å; F554-F571 HydrophobicContact CB-CZ 4.19Å; F554-C577 HydrophobicContact CE2-CB 3.89Å; F554-C577 WeakPolarHBondContact CE2-O 3.29Å; F554-C577 WeakPolarHBondContact CZ-O 3.42Å; F554-L580 HydrophobicContact CB-CD1 3.79Å; F554-L580 HydrophobicContact CD1-CB 4Å; F554-L580 HydrophobicContact CD1-CD1 4.44Å; F554-L580 HydrophobicContact CD2-CB 4.2Å; F554-L580 HydrophobicContact CD2-CD1 3.82Å; F554-L580 HydrophobicContact CE1-CB 3.98Å; F554-L580 HydrophobicContact CE2-CB 4.18Å; F554-L580 HydrophobicContact CE2-CD1 4.5Å; F554-L580 HydrophobicContact CG-CB 4.11Å; F554-L580 HydrophobicContact CG-CD1 3.79Å; F554-L580 HydrophobicContact CZ-CB 4.07Å; F554-A581 HydrophobicContact CZ-CB 4.2Å; F554-L584 HydrophobicContact CD1-CD1 4.07Å; F554-L584 HydrophobicContact CE1-CD1 3.87Å
555I92.8Very high89.3Confident0 Ų052.8 Ų52.80%029%0.291CS..Hα-helixtrans-59.6-37.5175.4-71.5164.3000111.4L531 K535 L538 L539 L543 L551 K552 L584L531-I555 HydrophobicContact CD1-CG2 4.12Å; K535-I555 HydrophobicContact CB-CG2 4.45Å; K535-I555 WeakPolarHBondContact CD-O 3.15Å; K535-I555 WeakPolarHBondContact CE-O 3.26Å; K535-I555 HydrophobicContact CG-CG2 4.3Å; K535-I555 PolarHBondContact NZ-O 3.47Å; L538-I555 HydrophobicContact CD2-CD1 4.21Å; L538-I555 HydrophobicContact CD2-CG1 4.47Å; L538-I555 HydrophobicContact CD2-CG2 4.2Å; L539-I555 HydrophobicContact CD1-CG2 4.26Å; L539-I555 HydrophobicContact CD2-CD1 4.04Å; L539-I555 HydrophobicContact CD2-CG2 4.26Å; L539-I555 HydrophobicContact CG-CG2 4.14Å; L543-I555 HydrophobicContact CD1-CD1 3.54Å; L551-I555 HydrophobicContact CD1-CD1 4.04Å; L551-I555 HydrophobicContact CD1-CG1 4.18Å; L551-I555 HydrophobicContact CG-CD1 4.06Å; L551-I555 WeakPolarHBondContact O-CB 3.27Å; L551-I555 WeakPolarHBondContact O-CD1 3.23Å; L551-I555 VanDerWaalsContact O-CG1 3.23Å; L551-I555 WeakPolarHBondContact O-CG1 3.41Å; L551-I555 PolarHBondContact O-N 2.73Å; K552-I555 PolarHBondContact O-N 3.44Å; I555-L584 HydrophobicContact CD1-CD2 4.28Å; I555-L584 HydrophobicContact CG1-CD1 4.19Å; I555-L584 HydrophobicContact CG1-CD2 4.42Å
556N92.1Very high90.2Very high78 Ų7851.3 Ų51.342%0.41728%0.279SS..Hα-helixtrans-67.9-40.4174.7-70.5-30000112.3K535 K552 D553 F554K535-N556 PolarHBondContact NZ-O 3.21Å; K552-N556 VanDerWaalsContact O-CG 3.24Å; K552-N556 PolarHBondContact O-N 3.16Å; K552-N556 PolarHBondContact O-ND2 2.79Å; D553-N556 WeakPolarHBondContact O-CB 3.42Å; D553-N556 PolarHBondContact O-N 2.69Å; F554-N556 VanDerWaalsContact C-N 3.26Å; F554-N556 PolarHBondContact O-N 2.89Å
557A93.4Very high90.9Very high40 Ų4046.1 Ų46.133%0.33125%0.251SS..Hα-helixtrans-73.7-24.9178.800000114.4D553 F554 S559 L567 F571D553-A557 WeakPolarHBondContact O-CB 3.47Å; D553-A557 PolarHBondContact O-N 3.12Å; F554-A557 PolarHBondContact O-N 2.96Å; F554-A557 VanDerWaalsContact O-N 3.13Å; A557-S559 PolarHBondContact O-N 3.39Å; A557-L567 HydrophobicContact CB-CD1 4.15Å; A557-L567 HydrophobicContact CB-CG 4.35Å; A557-F571 HydrophobicContact CB-CE2 3.81Å; A557-F571 HydrophobicContact CB-CZ 3.96Å
558L93.9Very high91.4Very high9 Ų944.9 Ų44.95%0.04725%0.247CC..  trans-56.5127-179-81.6176.9000112.7L529 L531 K535 F554 L567 L584L529-L558 HydrophobicContact CB-CD2 4.08Å; L529-L558 HydrophobicContact CD1-CD1 4.16Å; L529-L558 HydrophobicContact CD1-CD2 4.02Å; L529-L558 HydrophobicContact CG-CD2 4.29Å; L531-L558 HydrophobicContact CD1-CD1 4.29Å; L531-L558 HydrophobicContact CD2-CD1 3.8Å; L531-L558 HydrophobicContact CG-CD1 4.09Å; K535-L558 VanDerWaalsContact CE-O 3.26Å; K535-L558 WeakPolarHBondContact CE-O 3.28Å; K535-L558 PolarHBondContact NZ-O 3.01Å; F554-L558 HydrophobicContact CD1-CD1 4.09Å; F554-L558 HydrophobicContact CD1-CG 4.17Å; F554-L558 HydrophobicContact CE1-CD1 3.88Å; F554-L558 HydrophobicContact CE1-CD2 4.02Å; F554-L558 HydrophobicContact CE1-CG 4.01Å; F554-L558 HydrophobicContact CZ-CD2 4.21Å; F554-L558 WeakPolarHBondContact O-CG 3.5Å; F554-L558 PolarHBondContact O-N 2.94Å; L558-L567 HydrophobicContact CD2-CD1 3.78Å; L558-L567 HydrophobicContact CG-CD1 4.29Å; L558-L584 HydrophobicContact CD1-CD1 3.89Å
559S92.3Very high91.7Very high31 Ų3147.3 Ų47.322%0.21726%0.255CS..  trans-136.8141.4174175.70000109.5A557 T561 I562A557-S559 PolarHBondContact O-N 3.39Å; S559-T561 PolarHBondContact O-N 3.11Å; S559-T561 VanDerWaalsContact O-N 3.08Å; S559-T561 PolarHBondContact OG-N 3.18Å; S559-T561 PolarHBondContact OG-OG1 2.98Å; S559-I562 PolarHBondContact O-N 3.24Å; S559-I562 VanDerWaalsContact O-N 3.13Å
560P91.4Very high91.6Very high31 Ų3146.6 Ų46.620%0.20126%0.263CS..THydrogen-bonded Turntrans-64-11.9175.130.3-38.1000113.4I530 P595 I596 I683 A687I530-P560 HydrophobicContact CD1-CB 4.49Å; I530-P560 HydrophobicContact CG1-CB 4.17Å; P560-P595 CarbonylContact O-C 3.43Å; P560-P595 WeakPolarHBondContact O-CA 3.23Å; P560-I596 HydrophobicContact CB-CD1 3.82Å; P560-I596 HydrophobicContact CB-CG1 4.27Å; P560-I596 HydrophobicContact CG-CD1 4.43Å; P560-I596 PolarHBondContact O-N 3.34Å; P560-I683 HydrophobicContact CG-CG2 4.31Å; P560-A687 HydrophobicContact CB-CB 4.38Å; P560-A687 HydrophobicContact CG-CB 4.32Å
561T92Very high91.5Very high56 Ų5647.5 Ų47.534%0.34427%0.265SS..THydrogen-bonded Turntrans-94.7-7.9176.958.10000114.3S559 I683S559-T561 PolarHBondContact O-N 3.11Å; S559-T561 VanDerWaalsContact O-N 3.08Å; S559-T561 PolarHBondContact OG-N 3.18Å; S559-T561 PolarHBondContact OG-OG1 2.98Å; T561-I683 HydrophobicContact CG2-CD1 3.95Å; T561-I683 HydrophobicContact CG2-CG1 4.44Å; T561-I683 HydrophobicContact CG2-CG2 3.74Å
562I92.9Very high91.1Very high64 Ų6454.5 Ų54.533%0.32830%0.297SS..SBendtrans-115.2122.2-171.4-59.7177.8000109.4A528 S559 N566 L567A528-I562 WeakPolarHBondContact CB-O 3.38Å; S559-I562 PolarHBondContact O-N 3.24Å; S559-I562 VanDerWaalsContact O-N 3.13Å; I562-N566 HydrophobicContact CG2-CB 3.82Å; I562-L567 HydrophobicContact CG2-CB 4.15Å
563S93.5Very high91Very high14 Ų1451.5 Ų51.510%0.09829%0.29CS..  trans-68.9153.5173.861.30000111.9Y526 H527 Y565 N566 L567Y526-S563 WeakPolarHBondContact O-CB 3.36Å; H527-S563 CarbonylContact O-C 3.49Å; H527-S563 VanDerWaalsContact O-CA 3.31Å; H527-S563 WeakPolarHBondContact O-CA 3.45Å; S563-Y565 PolarHBondContact O-N 3.26Å; S563-N566 PolarHBondContact O-N 2.98Å; S563-N566 PolarHBondContact OG-N 3.11Å; S563-L567 PolarHBondContact O-N 3.24Å
564L93.1Very high90.9Very high3 Ų351.2 Ų51.22%0.01629%0.285CS..Hα-helixtrans-58.3-27.7174.4-67.6169.8000111.9I523 P525 H527 L529 F554 A568 L578 A581I523-L564 HydrophobicContact CD1-CD1 3.96Å; I523-L564 HydrophobicContact CG1-CD1 4.48Å; P525-L564 CarbonylContact O-C 3.6Å; P525-L564 PolarHBondContact O-N 3.4Å; H527-L564 WeakPolarHBondContact O-CG 3.06Å; H527-L564 PolarHBondContact O-N 3.46Å; L529-L564 HydrophobicContact CD1-CD2 4.42Å; L529-L564 HydrophobicContact CG-CD2 4.36Å; F554-L564 HydrophobicContact CE2-CD2 4.39Å; F554-L564 HydrophobicContact CZ-CD2 3.88Å; L564-A568 WeakPolarHBondContact O-CB 3.06Å; L564-A568 PolarHBondContact O-N 3.16Å; L564-L578 HydrophobicContact CD1-CD2 4.2Å; L564-A581 HydrophobicContact CD1-CB 3.97Å; L564-A581 HydrophobicContact CD2-CB 4.09Å
565Y91.7Very high90.7Very high116 Ų11654.6 Ų54.646%0.45531%0.309SS..Hα-helixtrans-65.4-45.4171.3179.6-90.4000112.7P525 S563 Q569P525-Y565 HydrophobicContact CB-CD2 4.39Å; P525-Y565 WeakPolarHBondContact O-CB 3.17Å; P525-Y565 PolarHBondContact O-N 3.41Å; S563-Y565 PolarHBondContact O-N 3.26Å; Y565-Q569 PolarHBondContact O-NE2 3.41Å
566N91.8Very high90.6Very high85 Ų8557 Ų5746%0.45532%0.32SS..Hα-helixtrans-71.6-39.9177.9-74.7-7.2000111I562 S563 Q569I562-N566 HydrophobicContact CG2-CB 3.82Å; S563-N566 PolarHBondContact O-N 2.98Å; S563-N566 PolarHBondContact OG-N 3.11Å; N566-Q569 WeakPolarHBondContact O-CB 3.35Å; N566-Q569 PolarHBondContact O-N 3.05Å; N566-Q569 PolarHBondContact OD1-NE2 3.28Å
567L92.2Very high90.6Very high10 Ų1053.3 Ų53.35%0.05230%0.3CS..Hα-helixtrans-61.4-44.4174.7-170.5155.8000111F554 A557 L558 I562 S563 Q569 G570 F571F554-L567 HydrophobicContact CD2-CD2 3.54Å; F554-L567 HydrophobicContact CE2-CD1 4.36Å; F554-L567 HydrophobicContact CE2-CD2 3.5Å; F554-L567 VanDerWaalsContact CE2-CD2 3.5Å; A557-L567 HydrophobicContact CB-CD1 4.15Å; A557-L567 HydrophobicContact CB-CG 4.35Å; L558-L567 HydrophobicContact CD2-CD1 3.78Å; L558-L567 HydrophobicContact CG-CD1 4.29Å; I562-L567 HydrophobicContact CG2-CB 4.15Å; S563-L567 PolarHBondContact O-N 3.24Å; L567-Q569 PolarHBondContact O-N 3.28Å; L567-G570 PolarHBondContact O-N 3.01Å; L567-F571 HydrophobicContact CD2-CD2 3.53Å; L567-F571 HydrophobicContact CD2-CE2 3.6Å; L567-F571 HydrophobicContact CD2-CG 4.32Å; L567-F571 HydrophobicContact CD2-CZ 4.43Å; L567-F571 HydrophobicContact CG-CD2 4.34Å; L567-F571 HydrophobicContact CG-CE2 4.15Å; L567-F571 WeakPolarHBondContact O-CD2 3.36Å
568A91.4Very high90.6Very high13 Ų1353.1 Ų53.111%0.10729%0.294CS..G310 helixtrans-62-12.4179.600000115.2L564 G570 Q574 C577L564-A568 WeakPolarHBondContact O-CB 3.06Å; L564-A568 PolarHBondContact O-N 3.16Å; A568-G570 VanDerWaalsContact C-N 3.28Å; A568-Q574 HydrophobicContact CB-CB 4.19Å; A568-C577 HydrophobicContact CB-CB 4.06Å
569Q89.3Confident90.5Very high131 Ų13157.2 Ų57.261%0.61232%0.316SS*.G310 helixtrans-73.5-21.5172.2-65.3166.339.900112.5Y565 N566 L567Y565-Q569 PolarHBondContact O-NE2 3.41Å; N566-Q569 WeakPolarHBondContact O-CB 3.35Å; N566-Q569 PolarHBondContact O-N 3.05Å; N566-Q569 PolarHBondContact OD1-NE2 3.28Å; L567-Q569 PolarHBondContact O-N 3.28Å
570G85.1Confident90.5Very high69 Ų6956.5 Ų56.571%0.71131%0.31SS*.G310 helixtrans-96.33.8175.300000114.7L567 A568L567-G570 PolarHBondContact O-N 3.01Å; A568-G570 VanDerWaalsContact C-N 3.28Å
571F88.1Confident90.6Very high44 Ų4455 Ų5519%0.19330%0.3CS..SBendtrans-130.6169.9-175.6-75.1-99.5000110.8T550 D553 F554 A557 L567 S573 C577T550-F571 HydrophobicContact CG2-CD1 3.97Å; T550-F571 HydrophobicContact CG2-CE1 4.21Å; D553-F571 HydrophobicContact CB-CE1 4.22Å; D553-F571 HydrophobicContact CB-CZ 4.34Å; F554-F571 HydrophobicContact CB-CE1 4.04Å; F554-F571 HydrophobicContact CB-CZ 4.19Å; A557-F571 HydrophobicContact CB-CE2 3.81Å; A557-F571 HydrophobicContact CB-CZ 3.96Å; L567-F571 HydrophobicContact CD2-CD2 3.53Å; L567-F571 HydrophobicContact CD2-CE2 3.6Å; L567-F571 HydrophobicContact CD2-CG 4.32Å; L567-F571 HydrophobicContact CD2-CZ 4.43Å; L567-F571 HydrophobicContact CG-CD2 4.34Å; L567-F571 HydrophobicContact CG-CE2 4.15Å; L567-F571 WeakPolarHBondContact O-CD2 3.36Å; F571-S573 PolarHBondContact O-N 3.48Å; F571-C577 VanDerWaalsContact CB-SG 3.56Å
572H80.9Confident90.7Very high160 Ų16054.4 Ų54.474%0.74129%0.294SS*.SBendtrans-60.5-38.2-171.3-53.7-61.5000114.9
573S88.5Confident90.6Very high43 Ų4353.4 Ų53.430%0.30129%0.286SS..  trans-161.3154.8178.473.60000113.5F571 S575 H576 C577F571-S573 PolarHBondContact O-N 3.48Å; S573-S575 VanDerWaalsContact C-N 3.33Å; S573-S575 PolarHBondContact O-N 2.89Å; S573-S575 PolarHBondContact OG-OG 2.91Å; S573-S575 VanDerWaalsContact OG-OG 3.07Å; S573-H576 PolarHBondContact O-N 3.39Å; S573-H576 VanDerWaalsContact OG-CB 3.29Å; S573-H576 WeakPolarHBondContact OG-CB 3.3Å; S573-H576 PolarHBondContact OG-N 2.8Å; S573-H576 VanDerWaalsContact OG-N 3.1Å; S573-C577 PolarHBondContact O-N 3.28Å; S573-C577 VanDerWaalsContact O-N 3.08Å; S573-C577 PolarHBondContact O-SG 3.29Å
574Q89.4Confident90.5Very high78 Ų7852.8 Ų52.836%0.36428%0.282SS..Hα-helixtrans-63.1-36.1173.8178.9174.38800113P525 A568 C577 L578P525-Q574 HydrophobicContact CB-CG 4.39Å; P525-Q574 VanDerWaalsContact CG-CD 3.48Å; P525-Q574 HydrophobicContact CG-CG 3.9Å; A568-Q574 HydrophobicContact CB-CB 4.19Å; Q574-C577 PolarHBondContact O-N 2.95Å; Q574-L578 HydrophobicContact CG-CD1 4.36Å; Q574-L578 WeakPolarHBondContact O-CG 3.38Å; Q574-L578 PolarHBondContact O-N 2.85Å
575S89.8Confident90.5Very high72 Ų7252.6 Ų52.650%0.50328%0.281SS..Hα-helixtrans-63.2-47.1174.647.40000111S573 C577 L578 D579S573-S575 VanDerWaalsContact C-N 3.33Å; S573-S575 PolarHBondContact O-N 2.89Å; S573-S575 PolarHBondContact OG-OG 2.91Å; S573-S575 VanDerWaalsContact OG-OG 3.07Å; S575-C577 VanDerWaalsContact C-N 3.34Å; S575-C577 PolarHBondContact O-N 2.83Å; S575-L578 CarbonylContact O-C 3.5Å; S575-L578 WeakPolarHBondContact O-CA 3.44Å; S575-L578 WeakPolarHBondContact O-CB 3.39Å; S575-L578 PolarHBondContact O-N 3.47Å; S575-D579 VanDerWaalsContact O-CG 3.26Å; S575-D579 PolarHBondContact O-N 3.42Å
576H90.1Very high90.5Very high49 Ų4948.2 Ų48.223%0.22726%0.264CS..Hα-helixtrans-61.6-41.5178.5-171.259.1000112T550 S573 L578 D579 L580T550-H576 WeakPolarHBondContact CG2-NE2 3.44Å; S573-H576 PolarHBondContact O-N 3.39Å; S573-H576 VanDerWaalsContact OG-CB 3.29Å; S573-H576 WeakPolarHBondContact OG-CB 3.3Å; S573-H576 PolarHBondContact OG-N 2.8Å; S573-H576 VanDerWaalsContact OG-N 3.1Å; H576-L578 VanDerWaalsContact C-N 3.29Å; H576-L578 PolarHBondContact O-N 3.41Å; H576-D579 PolarHBondContact O-N 3.49Å; H576-L580 WeakPolarHBondContact O-CG 3.45Å; H576-L580 PolarHBondContact O-N 3Å
577C91.8Very high90.4Very high1 Ų145.2 Ų45.21%0.00725%0.246CC..Hα-helixtrans-62.7-32.7173.3-70.40000113.5F554 A568 F571 S573 Q574 S575 A581F554-C577 HydrophobicContact CE2-CB 3.89Å; F554-C577 WeakPolarHBondContact CE2-O 3.29Å; F554-C577 WeakPolarHBondContact CZ-O 3.42Å; A568-C577 HydrophobicContact CB-CB 4.06Å; F571-C577 VanDerWaalsContact CB-SG 3.56Å; S573-C577 PolarHBondContact O-N 3.28Å; S573-C577 VanDerWaalsContact O-N 3.08Å; S573-C577 PolarHBondContact O-SG 3.29Å; Q574-C577 PolarHBondContact O-N 2.95Å; S575-C577 VanDerWaalsContact C-N 3.34Å; S575-C577 PolarHBondContact O-N 2.83Å; C577-A581 VanDerWaalsContact O-CB 3.31Å; C577-A581 WeakPolarHBondContact O-CB 3.46Å; C577-A581 PolarHBondContact O-N 3.27Å; C577-A581 VanDerWaalsContact O-N 3.1Å
578L92.7Very high90.3Very high37 Ų3744.7 Ų44.719%0.19424%0.244CC..Hα-helixtrans-72.1-39.9172.1-70.4168.7000111.5I523 P525 L564 Q574 S575 H576 L580 A581 L582I523-L578 HydrophobicContact CG2-CD2 4.34Å; P525-L578 HydrophobicContact CG-CD1 4.25Å; L564-L578 HydrophobicContact CD1-CD2 4.2Å; Q574-L578 HydrophobicContact CG-CD1 4.36Å; Q574-L578 WeakPolarHBondContact O-CG 3.38Å; Q574-L578 PolarHBondContact O-N 2.85Å; S575-L578 CarbonylContact O-C 3.5Å; S575-L578 WeakPolarHBondContact O-CA 3.44Å; S575-L578 WeakPolarHBondContact O-CB 3.39Å; S575-L578 PolarHBondContact O-N 3.47Å; H576-L578 VanDerWaalsContact C-N 3.29Å; H576-L578 PolarHBondContact O-N 3.41Å; L578-L580 PolarHBondContact O-N 3.48Å; L578-A581 WeakPolarHBondContact O-CB 3.43Å; L578-A581 PolarHBondContact O-N 2.84Å; L578-L582 WeakPolarHBondContact O-CB 3.2Å; L578-L582 VanDerWaalsContact O-CG 3.24Å; L578-L582 WeakPolarHBondContact O-CG 3.37Å; L578-L582 PolarHBondContact O-N 3.13Å
579D91.8Very high90.3Very high95 Ų9544.4 Ų44.451%0.50824%0.24SC..Hα-helixtrans-61.1-44.4176.4-62.1-37.5000111.4S575 H576 L582 W583S575-D579 VanDerWaalsContact O-CG 3.26Å; S575-D579 PolarHBondContact O-N 3.42Å; H576-D579 PolarHBondContact O-N 3.49Å; D579-L582 PolarHBondContact O-N 3.15Å; D579-W583 WeakPolarHBondContact O-CB 3.17Å; D579-W583 PolarHBondContact O-N 3.33Å
580L92.3Very high90.5Very high16 Ų1638.2 Ų38.28%0.08421%0.211CC..Hα-helixtrans-66.4-37.4175.3-62-178.9000112.2T550 L551 F554 H576 L578 L584T550-L580 HydrophobicContact CG2-CD1 4.41Å; L551-L580 HydrophobicContact CB-CD2 4.09Å; L551-L580 HydrophobicContact CD1-CB 4.22Å; L551-L580 HydrophobicContact CD1-CD2 4.05Å; L551-L580 HydrophobicContact CG-CD2 4.47Å; F554-L580 HydrophobicContact CB-CD1 3.79Å; F554-L580 HydrophobicContact CD1-CB 4Å; F554-L580 HydrophobicContact CD1-CD1 4.44Å; F554-L580 HydrophobicContact CD2-CB 4.2Å; F554-L580 HydrophobicContact CD2-CD1 3.82Å; F554-L580 HydrophobicContact CE1-CB 3.98Å; F554-L580 HydrophobicContact CE2-CB 4.18Å; F554-L580 HydrophobicContact CE2-CD1 4.5Å; F554-L580 HydrophobicContact CG-CB 4.11Å; F554-L580 HydrophobicContact CG-CD1 3.79Å; F554-L580 HydrophobicContact CZ-CB 4.07Å; H576-L580 WeakPolarHBondContact O-CG 3.45Å; H576-L580 PolarHBondContact O-N 3Å; L578-L580 PolarHBondContact O-N 3.48Å; L580-L584 WeakPolarHBondContact O-CG 3.38Å; L580-L584 PolarHBondContact O-N 2.89Å; L580-L584 VanDerWaalsContact O-N 3.13Å
581A93.5Very high91Very high0 Ų035.2 Ų35.20%018%0.178CC..Hα-helixtrans-64.1-50.2173.900000111.9L529 F554 L564 C577 L578 W583 L584 I585L529-A581 HydrophobicContact CD1-CB 3.8Å; F554-A581 HydrophobicContact CZ-CB 4.2Å; L564-A581 HydrophobicContact CD1-CB 3.97Å; L564-A581 HydrophobicContact CD2-CB 4.09Å; C577-A581 VanDerWaalsContact O-CB 3.31Å; C577-A581 WeakPolarHBondContact O-CB 3.46Å; C577-A581 PolarHBondContact O-N 3.27Å; C577-A581 VanDerWaalsContact O-N 3.1Å; L578-A581 WeakPolarHBondContact O-CB 3.43Å; L578-A581 PolarHBondContact O-N 2.84Å; A581-W583 VanDerWaalsContact C-N 3.28Å; A581-W583 PolarHBondContact O-N 2.87Å; A581-L584 PolarHBondContact O-N 3.47Å; A581-L584 VanDerWaalsContact O-N 3.15Å; A581-I585 WeakPolarHBondContact O-CD1 3.28Å; A581-I585 VanDerWaalsContact O-CG1 3.3Å; A581-I585 WeakPolarHBondContact O-CG1 3.28Å; A581-I585 PolarHBondContact O-N 2.86Å
582L94.1Very high91.4Very high43 Ų4333.2 Ų33.223%0.22517%0.17CC..Hα-helixtrans-59.4-39.4177-73.8168.9000111.3M520 I523 L578 D579 I585 Y586M520-L582 HydrophobicContact CB-CD2 3.67Å; M520-L582 HydrophobicContact CE-CB 4.45Å; M520-L582 HydrophobicContact CE-CD2 3.97Å; M520-L582 HydrophobicContact CG-CD2 3.88Å; I523-L582 HydrophobicContact CG2-CD2 3.95Å; I523-L582 HydrophobicContact CG2-CG 4.44Å; L578-L582 WeakPolarHBondContact O-CB 3.2Å; L578-L582 VanDerWaalsContact O-CG 3.24Å; L578-L582 WeakPolarHBondContact O-CG 3.37Å; L578-L582 PolarHBondContact O-N 3.13Å; D579-L582 PolarHBondContact O-N 3.15Å; L582-I585 PolarHBondContact O-N 3.39Å; L582-Y586 WeakPolarHBondContact O-CB 3.35Å; L582-Y586 PolarHBondContact O-N 3.14Å
583W91.2Very high92.1Very high43 Ų4325.9 Ų25.916%0.16314%0.136CC..Hα-helixtrans-60.6-46.7173.9-170.2101.5000111.9L543 L551 D579 A581 I585 Y586 R587L543-W583 HydrophobicContact CD2-CH2 3.4Å; L543-W583 VanDerWaalsContact CD2-CH2 3.4Å; L543-W583 HydrophobicContact CD2-CZ3 3.61Å; L551-W583 HydrophobicContact CD2-CD2 4.42Å; L551-W583 HydrophobicContact CD2-CE3 4.07Å; L551-W583 HydrophobicContact CD2-CZ3 4.14Å; D579-W583 WeakPolarHBondContact O-CB 3.17Å; D579-W583 PolarHBondContact O-N 3.33Å; A581-W583 VanDerWaalsContact C-N 3.28Å; A581-W583 PolarHBondContact O-N 2.87Å; W583-I585 PolarHBondContact O-N 2.78Å; W583-Y586 PolarHBondContact O-N 3.34Å; W583-R587 HydrophobicContact CD2-CG 3.81Å; W583-R587 HydrophobicContact CE3-CB 4.35Å; W583-R587 HydrophobicContact CE3-CG 3.86Å; W583-R587 HydrophobicContact CH2-CB 4.45Å; W583-R587 HydrophobicContact CH2-CG 3.82Å; W583-R587 HydrophobicContact CZ2-CG 3.81Å; W583-R587 HydrophobicContact CZ3-CB 4.19Å; W583-R587 HydrophobicContact CZ3-CG 3.85Å; W583-R587 VanDerWaalsContact O-CB 3.26Å; W583-R587 WeakPolarHBondContact O-CB 3.29Å; W583-R587 WeakPolarHBondContact O-CG 3.37Å; W583-R587 PolarHBondContact O-N 3.17Å
584L92.6Very high92.3Very high0 Ų024.2 Ų24.20%012%0.124CC..Hα-helixtrans-66.4-35178.9-74.3169.4000113.2L531 L538 L551 F554 I555 L558 L580 A581 G588 H589 A590L531-L584 HydrophobicContact CD2-CD1 4.29Å; L538-L584 HydrophobicContact CD2-CD2 4.44Å; L551-L584 HydrophobicContact CD1-CD1 4.38Å; L551-L584 HydrophobicContact CD1-CG 4.4Å; F554-L584 HydrophobicContact CD1-CD1 4.07Å; F554-L584 HydrophobicContact CE1-CD1 3.87Å; I555-L584 HydrophobicContact CD1-CD2 4.28Å; I555-L584 HydrophobicContact CG1-CD1 4.19Å; I555-L584 HydrophobicContact CG1-CD2 4.42Å; L558-L584 HydrophobicContact CD1-CD1 3.89Å; L580-L584 WeakPolarHBondContact O-CG 3.38Å; L580-L584 PolarHBondContact O-N 2.89Å; L580-L584 VanDerWaalsContact O-N 3.13Å; A581-L584 PolarHBondContact O-N 3.47Å; A581-L584 VanDerWaalsContact O-N 3.15Å; L584-G588 PolarHBondContact O-N 3.39Å; L584-H589 HydrophobicContact CD2-CB 4.04Å; L584-H589 PolarHBondContact O-N 3.19Å; L584-A590 HydrophobicContact CB-CB 3.96Å; L584-A590 PolarHBondContact O-N 2.91Å
585I93.2Very high92.5Very high0 Ų021.4 Ų21.40%011%0.112CC..Hα-helixtrans-70.5-51.6175.1-62.4154.7000109.5Y496 I516 M520 I523 L529 A581 L582 W583 R587 G588 A590 I592 F869Y496-I585 PolarHBondContact OH-O 2.91Å; I516-I585 HydrophobicContact CG2-CG2 3.95Å; M520-I585 HydrophobicContact CG-CB 4.3Å; M520-I585 HydrophobicContact CG-CG2 3.64Å; M520-I585 HydrophobicContact SD-CG2 3.97Å; I523-I585 HydrophobicContact CD1-CD1 3.6Å; L529-I585 HydrophobicContact CD2-CD1 3.98Å; L529-I585 HydrophobicContact CD2-CG1 4.27Å; A581-I585 WeakPolarHBondContact O-CD1 3.28Å; A581-I585 VanDerWaalsContact O-CG1 3.3Å; A581-I585 WeakPolarHBondContact O-CG1 3.28Å; A581-I585 PolarHBondContact O-N 2.86Å; L582-I585 PolarHBondContact O-N 3.39Å; W583-I585 PolarHBondContact O-N 2.78Å; I585-R587 PolarHBondContact O-N 3.16Å; I585-G588 PolarHBondContact O-N 2.86Å; I585-A590 HydrophobicContact CG1-CB 4.24Å; I585-I592 HydrophobicContact CD1-CD1 3.91Å; I585-I592 HydrophobicContact CD1-CG1 3.58Å; I585-I592 HydrophobicContact CG1-CG1 4.15Å; I585-F869 HydrophobicContact CG2-CZ 4.29Å
586Y91Very high92.6Very high23 Ų2318.3 Ų18.39%0.099%0.09CC..Hα-helixtrans-56.4-37178177.4-103.7000112.8L113 W517 M520 L582 W583 G588L113-Y586 WeakPolarHBondContact CD1-OH 3.18Å; L113-Y586 HydrophobicContact CD2-CE1 4.48Å; L113-Y586 HydrophobicContact CD2-CE2 3.73Å; L113-Y586 WeakPolarHBondContact CD2-OH 3.22Å; W517-Y586 AromaticContact CH2-CD2 3.42Å; W517-Y586 HydrophobicContact CH2-CD2 3.42Å; W517-Y586 VanDerWaalsContact CH2-CD2 3.42Å; W517-Y586 AromaticContact CH2-CE2 3.41Å; W517-Y586 HydrophobicContact CH2-CE2 3.41Å; W517-Y586 VanDerWaalsContact CH2-CE2 3.41Å; W517-Y586 AromaticContact CZ2-CD2 3.89Å; W517-Y586 HydrophobicContact CZ2-CD2 3.89Å; W517-Y586 AromaticContact CZ2-CE2 3.56Å; W517-Y586 HydrophobicContact CZ2-CE2 3.56Å; W517-Y586 AromaticContact CZ3-CD2 3.99Å; W517-Y586 HydrophobicContact CZ3-CD2 3.99Å; W517-Y586 HydrophobicContact CZ3-CE2 4.41Å; M520-Y586 HydrophobicContact CE-CD2 4.47Å; L582-Y586 WeakPolarHBondContact O-CB 3.35Å; L582-Y586 PolarHBondContact O-N 3.14Å; W583-Y586 PolarHBondContact O-N 3.34Å; Y586-G588 VanDerWaalsContact C-N 3.27Å; Y586-G588 PolarHBondContact O-N 2.89Å
587R88.5Confident92.5Very high22 Ų2219.7 Ų19.78%0.08310%0.101CC..THydrogen-bonded Turntrans-79.1-2.4176.5-66.9-67.4-177.2-178.70.8114.4H476 C488 C490 W583 I585H476-R587 PolarHBondContact CE1-O 2.82Å; H476-R587 PolarHBondContact ND1-O 2.96Å; H476-R587 VanDerWaalsContact ND1-O 3.16Å; C488-R587 PolarHBondContact O-NH1 3Å; C490-R587 WeakPolarHBondContact CB-O 3.41Å; C490-R587 VanDerWaalsContact SG-C 3.58Å; C490-R587 PolarHBondContact SG-O 2.89Å; W583-R587 HydrophobicContact CD2-CG 3.81Å; W583-R587 HydrophobicContact CE3-CB 4.35Å; W583-R587 HydrophobicContact CE3-CG 3.86Å; W583-R587 HydrophobicContact CH2-CB 4.45Å; W583-R587 HydrophobicContact CH2-CG 3.82Å; W583-R587 HydrophobicContact CZ2-CG 3.81Å; W583-R587 HydrophobicContact CZ3-CB 4.19Å; W583-R587 HydrophobicContact CZ3-CG 3.85Å; W583-R587 VanDerWaalsContact O-CB 3.26Å; W583-R587 WeakPolarHBondContact O-CB 3.29Å; W583-R587 WeakPolarHBondContact O-CG 3.37Å; W583-R587 PolarHBondContact O-N 3.17Å; I585-R587 PolarHBondContact O-N 3.16Å
588G90.7Very high92Very high0 Ų020.7 Ų20.70%011%0.109CC..THydrogen-bonded Turntrans73.730.2178.500000114H476 L532 L584 I585 Y586H476-G588 PolarHBondContact CE1-O 3.01Å; L532-G588 WeakPolarHBondContact CD1-O 3.28Å; L584-G588 PolarHBondContact O-N 3.39Å; I585-G588 PolarHBondContact O-N 2.86Å; Y586-G588 VanDerWaalsContact C-N 3.27Å; Y586-G588 PolarHBondContact O-N 2.89Å
589H92.1Very high91.6Very high7 Ų723.6 Ų23.63%0.03213%0.125CC..  trans-107.6-15.1-178.9-63.4-42.7000113.7H476 L531 L532 L538 Y542 L584H476-H589 AromaticContact CE1-CE1 3.28Å; H476-H589 PolarHBondContact CE1-CE1 3.43Å; H476-H589 AromaticContact CE1-ND1 3.37Å; H476-H589 PolarHBondContact CE1-ND1 3.06Å; H476-H589 AromaticContact CG-CE1 3.96Å; H476-H589 AromaticContact ND1-CE1 3.21Å; H476-H589 PolarHBondContact ND1-CE1 3.07Å; H476-H589 AromaticContact ND1-ND1 3.8Å; H476-H589 AromaticContact ND1-NE2 3.93Å; L531-H589 WeakPolarHBondContact CA-O 3.4Å; L532-H589 PolarHBondContact N-O 3.15Å; L538-H589 HydrophobicContact CD1-CB 3.88Å; Y542-H589 AromaticContact CD1-CE1 3.86Å; L584-H589 HydrophobicContact CD2-CB 4.04Å; L584-H589 PolarHBondContact O-N 3.19Å
590A94Very high91.4Very high0 Ų020.3 Ų20.30%011%0.108CC..EExtended strand (participates in β ladder)trans-133.2150.4-178.200000113.2Y496 L529 I530 L531 L584 I585Y496-A590 WeakPolarHBondContact CE1-O 3.44Å; Y496-A590 PolarHBondContact OH-O 2.73Å; L529-A590 HydrophobicContact CB-CB 4.34Å; L529-A590 HydrophobicContact CD1-CB 4.24Å; L529-A590 HydrophobicContact CD2-CB 4.5Å; I530-A590 CarbonylContact O-C 3.52Å; I530-A590 WeakPolarHBondContact O-CA 3.31Å; L531-A590 HydrophobicContact CD2-CB 4.37Å; L584-A590 HydrophobicContact CB-CB 3.96Å; L584-A590 PolarHBondContact O-N 2.91Å; I585-A590 HydrophobicContact CG1-CB 4.24Å
591L95.2Very high91.3Very high6 Ų620.4 Ų20.43%0.03111%0.108CC..EExtended strand (participates in β ladder)trans-103.7144.7164.1-60.9169.4000109.1Y496 L529 I530 L532 F869Y496-L591 HydrophobicContact CD1-CD2 4.11Å; Y496-L591 HydrophobicContact CE1-CD2 3.81Å; L529-L591 WeakPolarHBondContact CA-O 3.37Å; I530-L591 HydrophobicContact CB-CB 4.48Å; I530-L591 PolarHBondContact N-O 3.26Å; I530-L591 PolarHBondContact O-N 3.48Å; L532-L591 HydrophobicContact CD2-CD1 3.71Å; L532-L591 HydrophobicContact CD2-CD2 4.15Å; L532-L591 HydrophobicContact CD2-CG 3.7Å; L532-L591 HydrophobicContact CG-CG 4.24Å; L591-F869 HydrophobicContact CD2-CB 3.78Å; L591-F869 HydrophobicContact CD2-CD1 3.49Å; L591-F869 VanDerWaalsContact CD2-CD1 3.49Å; L591-F869 HydrophobicContact CD2-CD2 4.33Å; L591-F869 HydrophobicContact CD2-CE1 4.16Å; L591-F869 HydrophobicContact CD2-CG 3.6Å
592I95.7Very high91.3Very high2 Ų220.4 Ų20.41%0.0111%0.108CC..EExtended strand (participates in β ladder)trans-81.6134.6168.1-47.9173.2000108.3A519 I523 H527 L529 I585 V865 T866 F869A519-I592 HydrophobicContact CB-CD1 3.98Å; A519-I592 WeakPolarHBondContact O-CD1 3.46Å; I523-I592 HydrophobicContact CB-CD1 4.16Å; I523-I592 HydrophobicContact CD1-CD1 3.93Å; I523-I592 HydrophobicContact CD1-CG1 4.01Å; I523-I592 HydrophobicContact CD1-CG2 4.21Å; I523-I592 HydrophobicContact CG1-CD1 4.06Å; I523-I592 HydrophobicContact CG1-CG1 4.48Å; I523-I592 HydrophobicContact CG1-CG2 4.08Å; H527-I592 HydrophobicContact CB-CG2 3.85Å; L529-I592 HydrophobicContact CD2-CG1 4.48Å; I585-I592 HydrophobicContact CD1-CD1 3.91Å; I585-I592 HydrophobicContact CD1-CG1 3.58Å; I585-I592 HydrophobicContact CG1-CG1 4.15Å; I592-V865 HydrophobicContact CB-CG1 4.44Å; I592-V865 HydrophobicContact CD1-CG1 3.8Å; I592-V865 HydrophobicContact CG2-CG1 3.96Å; I592-T866 HydrophobicContact CG2-CG2 4.3Å; I592-F869 HydrophobicContact CB-CE2 4.08Å; I592-F869 HydrophobicContact CD1-CE2 4.25Å; I592-F869 HydrophobicContact CG1-CE2 3.97Å; I592-F869 HydrophobicContact CG1-CZ 4.31Å
593V95.1Very high91.3Very high6 Ų620.4 Ų20.44%0.03611%0.108CC..EExtended strand (participates in β ladder)trans-138.5166.3172.3-63.70000109.9H527 A528 I530 L690 T866H527-V593 CarbonylContact C-O 3.52Å; H527-V593 WeakPolarHBondContact CA-O 3.48Å; H527-V593 WeakPolarHBondContact CB-O 3.43Å; A528-V593 HydrophobicContact CB-CG2 4.06Å; A528-V593 PolarHBondContact N-O 2.82Å; A528-V593 PolarHBondContact O-N 3.38Å; I530-V593 HydrophobicContact CD1-CG1 3.74Å; I530-V593 HydrophobicContact CD1-CG2 4.19Å; I530-V593 HydrophobicContact CG1-CB 4.48Å; I530-V593 HydrophobicContact CG1-CG1 3.88Å; I530-V593 HydrophobicContact CG1-CG2 3.76Å; V593-L690 HydrophobicContact CG1-CD1 4.43Å; V593-T866 VanDerWaalsContact CA-CG2 3.44Å
594Y93.3Very high91.3Very high9 Ų921.1 Ų21.14%0.03511%0.114CC..  trans-77.8148.1154.1-76.5-100.4000109.5Y526 H527 I596 Q697 H699 H830 E832 D863 T866Y526-Y594 HydrophobicContact CD2-CD1 4.06Å; Y526-Y594 AromaticContact CD2-CE1 3.39Å; Y526-Y594 HydrophobicContact CD2-CE1 3.39Å; Y526-Y594 HydrophobicContact CE2-CD1 4.41Å; Y526-Y594 AromaticContact CE2-CE1 3.39Å; Y526-Y594 HydrophobicContact CE2-CE1 3.39Å; Y526-Y594 AromaticContact CE2-CZ 3.53Å; Y526-Y594 VanDerWaalsContact CE2-OH 3.28Å; Y526-Y594 WeakPolarHBondContact CE2-OH 3.49Å; H527-Y594 AromaticContact CD2-CE2 3.98Å; H527-Y594 AromaticContact NE2-CE2 3.96Å; H527-Y594 AromaticContact NE2-CZ 3.99Å; Y594-I596 PolarHBondContact O-N 3.49Å; Y594-Q697 PolarHBondContact O-NE2 2.83Å; Y594-H699 AromaticContact CD1-CE1 3.77Å; Y594-H699 AromaticContact CD2-CD2 3.99Å; Y594-H699 AromaticContact CD2-CE1 3.26Å; Y594-H699 WeakPolarHBondContact CD2-CE1 3.49Å; Y594-H699 AromaticContact CD2-NE2 3.12Å; Y594-H699 WeakPolarHBondContact CD2-NE2 3.44Å; Y594-H699 AromaticContact CE2-CD2 4Å; Y594-H699 AromaticContact CE2-CE1 3.66Å; Y594-H699 AromaticContact CE2-NE2 3.57Å; Y594-H699 AromaticContact CG-CE1 3.32Å; Y594-H699 AromaticContact CG-NE2 3.63Å; Y594-H830 AromaticContact CE1-CE1 3.47Å; Y594-H830 VanDerWaalsContact CE1-CE1 3.47Å; Y594-H830 WeakPolarHBondContact CE1-CE1 3.38Å; Y594-H830 AromaticContact CE1-ND1 3.7Å; Y594-H830 AromaticContact CZ-CE1 3.59Å; Y594-H830 AromaticContact CZ-ND1 3.44Å; Y594-H830 PolarHBondContact OH-ND1 3.27Å; Y594-E832 HydrophobicContact CE1-CB 4.08Å; Y594-E832 HydrophobicContact CE1-CG 4.42Å; Y594-D863 HydrophobicContact CE2-CB 4Å; Y594-T866 HydrophobicContact CD2-CG2 3.85Å; Y594-T866 HydrophobicContact CE2-CG2 4.12Å
595P93.4Very high91.3Very high18 Ų1821.2 Ų21.212%0.11712%0.115CC..  trans-52136.1175.8-20.328.4000110.7Y526 A528 P560 V597 N600Y526-P595 WeakPolarHBondContact O-CD 3.49Å; Y526-P595 WeakPolarHBondContact O-CG 3.5Å; A528-P595 HydrophobicContact CB-CB 4.22Å; A528-P595 HydrophobicContact CB-CG 3.99Å; P560-P595 CarbonylContact O-C 3.43Å; P560-P595 WeakPolarHBondContact O-CA 3.23Å; P595-V597 HydrophobicContact CB-CG2 4.31Å; P595-V597 WeakPolarHBondContact O-CG2 3.28Å; P595-V597 PolarHBondContact O-N 2.65Å; P595-V597 VanDerWaalsContact O-N 3.1Å; P595-N600 PolarHBondContact O-ND2 3.01Å
596I92.4Very high90.9Very high8 Ų825.4 Ų25.44%0.04114%0.143CC..  trans-71.7105.5179.2-58.9177.8000108.9P560 Y594 L642 I683 I686 A687 L690P560-I596 HydrophobicContact CB-CD1 3.82Å; P560-I596 HydrophobicContact CB-CG1 4.27Å; P560-I596 HydrophobicContact CG-CD1 4.43Å; P560-I596 PolarHBondContact O-N 3.34Å; Y594-I596 PolarHBondContact O-N 3.49Å; I596-L642 HydrophobicContact CG2-CD1 4Å; I596-I683 HydrophobicContact CD1-CG2 4.43Å; I596-I683 HydrophobicContact CG2-CG1 4.25Å; I596-I683 HydrophobicContact CG2-CG2 4.5Å; I596-I686 HydrophobicContact CD1-CB 4.24Å; I596-I686 HydrophobicContact CD1-CG2 3.84Å; I596-I686 HydrophobicContact CG1-CG2 4.29Å; I596-I686 HydrophobicContact CG2-CB 4.49Å; I596-I686 HydrophobicContact CG2-CG2 4.17Å; I596-A687 HydrophobicContact CD1-CB 3.87Å; I596-L690 HydrophobicContact CD1-CD1 4.09Å; I596-L690 HydrophobicContact CG1-CD1 4.29Å
597V86.9Confident90.6Very high77 Ų7726.4 Ų26.447%0.46715%0.148SC..  trans-124.4155.1177-151.70000110.3P595 N599 N600P595-V597 HydrophobicContact CB-CG2 4.31Å; P595-V597 WeakPolarHBondContact O-CG2 3.28Å; P595-V597 PolarHBondContact O-N 2.65Å; P595-V597 VanDerWaalsContact O-N 3.1Å; V597-N599 PolarHBondContact O-N 3.42Å; V597-N599 VanDerWaalsContact O-N 3.16Å; V597-N600 PolarHBondContact N-ND2 2.67Å; V597-N600 WeakPolarHBondContact O-CB 3.47Å; V597-N600 PolarHBondContact O-N 3.28Å; V597-N600 VanDerWaalsContact O-N 3.08Å
598A83.1Confident90.5Very high22 Ų2226.1 Ų26.118%0.18215%0.149CC..THydrogen-bonded Turntrans-52.2-35.1179.100000114.2N600 L642 K643 F646A598-N600 VanDerWaalsContact C-N 3.28Å; A598-N600 PolarHBondContact O-N 2.96Å; A598-L642 CarbonylContact O-C 3.56Å; A598-L642 VanDerWaalsContact O-CB 3.31Å; A598-L642 WeakPolarHBondContact O-CB 3.45Å; A598-L642 PolarHBondContact O-N 2.99Å; A598-K643 HydrophobicContact CB-CB 4.31Å; A598-K643 WeakPolarHBondContact O-CB 3.41Å; A598-K643 PolarHBondContact O-N 3.12Å; A598-F646 HydrophobicContact CB-CD2 4.27Å; A598-F646 HydrophobicContact CB-CE1 4.07Å; A598-F646 HydrophobicContact CB-CE2 3.58Å; A598-F646 HydrophobicContact CB-CZ 3.45Å; A598-F646 VanDerWaalsContact CB-CZ 3.45Å
599N84.3Confident90.2Very high98 Ų9835.1 Ų35.152%0.52419%0.188SC..THydrogen-bonded Turntrans-840.9-176.1-62.4-6.6000113.7V597V597-N599 PolarHBondContact O-N 3.42Å; V597-N599 VanDerWaalsContact O-N 3.16Å
600N87.4Confident89.7Confident27 Ų2736 Ų3614%0.14420%0.197CC..  trans-77.4145177.7-65.76.3000110.6P595 V597 A598 Y602 L642P595-N600 PolarHBondContact O-ND2 3.01Å; V597-N600 PolarHBondContact N-ND2 2.67Å; V597-N600 WeakPolarHBondContact O-CB 3.47Å; V597-N600 PolarHBondContact O-N 3.28Å; V597-N600 VanDerWaalsContact O-N 3.08Å; A598-N600 VanDerWaalsContact C-N 3.28Å; A598-N600 PolarHBondContact O-N 2.96Å; N600-Y602 HydrophobicContact CB-CD2 4.46Å; N600-Y602 HydrophobicContact CB-CE2 3.52Å; N600-Y602 WeakPolarHBondContact CB-OH 3.24Å; N600-Y602 PolarHBondContact ND2-OH 3.41Å; N600-L642 PolarHBondContact O-N 3.19Å
601M90Very high89.1Confident18 Ų1836.2 Ų36.29%0.08920%0.198CC..EExtended strand (participates in β ladder)trans-105.5138175.6-159.2175.585.100110.4S639 F640 I641 I698 R860M601-S639 VanDerWaalsContact CE-OG 3.28Å; M601-S639 WeakPolarHBondContact CE-OG 3.33Å; M601-F640 CarbonylContact C-O 3.59Å; M601-F640 WeakPolarHBondContact CA-O 3.45Å; M601-I641 HydrophobicContact CB-CG1 4.2Å; M601-I641 HydrophobicContact CG-CG1 3.76Å; M601-I641 HydrophobicContact SD-CG1 4.24Å; M601-I698 HydrophobicContact CE-CB 3.65Å; M601-I698 HydrophobicContact CE-CG1 4.29Å; M601-I698 HydrophobicContact CE-CG2 3.41Å; M601-I698 VanDerWaalsContact CE-CG2 3.41Å; M601-I698 PolarHBondContact O-N 3.22Å; M601-R860 HydrophobicContact CE-CB 4.02Å; M601-R860 HydrophobicContact CE-CG 4.33Å; M601-R860 VanDerWaalsContact SD-CD 3.53Å
602Y93.4Very high88.5Confident0 Ų040.2 Ų40.20%022%0.215CC..EExtended strand (participates in β ladder)trans-126.6150.5-178.5-60.4-92.3000110.2N600 F640 L642 I686 L690 I695 I696 Q697N600-Y602 HydrophobicContact CB-CD2 4.46Å; N600-Y602 HydrophobicContact CB-CE2 3.52Å; N600-Y602 WeakPolarHBondContact CB-OH 3.24Å; N600-Y602 PolarHBondContact ND2-OH 3.41Å; Y602-F640 PolarHBondContact N-O 3.33Å; Y602-F640 PolarHBondContact O-N 3.12Å; Y602-L642 HydrophobicContact CD2-CD1 4.34Å; Y602-L642 HydrophobicContact CD2-CG 4.31Å; Y602-L642 HydrophobicContact CE2-CD1 3.53Å; Y602-L642 HydrophobicContact CE2-CG 3.96Å; Y602-I686 HydrophobicContact CD1-CG2 4.19Å; Y602-I686 HydrophobicContact CE1-CG2 3.6Å; Y602-I686 HydrophobicContact CE2-CG2 4.42Å; Y602-L690 HydrophobicContact CD1-CD2 4.39Å; Y602-L690 HydrophobicContact CE1-CD1 4.13Å; Y602-L690 HydrophobicContact CE1-CD2 4.27Å; Y602-I695 HydrophobicContact CD1-CD1 3.87Å; Y602-I695 HydrophobicContact CD1-CG1 4.44Å; Y602-I695 HydrophobicContact CG-CD1 4.36Å; Y602-I696 WeakPolarHBondContact CA-O 3.47Å; Y602-Q697 HydrophobicContact CD1-CG 3.88Å; Y602-Q697 HydrophobicContact CE1-CG 3.38Å; Y602-Q697 PolarHBondContact OH-NE2 3.34Å
603I93.3Very high87.8Confident43 Ų4340.5 Ų40.522%0.22122%0.217CC..EExtended strand (participates in β ladder)trans-146.2158.4171.8-162.9170.2000108.9F636 I695 I696 I698I603-F636 CarbonylContact C-O 3.52Å; I603-F636 WeakPolarHBondContact CG1-O 3.36Å; I603-I695 CarbonylContact O-C 3.41Å; I603-I695 WeakPolarHBondContact O-CA 3.25Å; I603-I695 WeakPolarHBondContact O-CB 3.33Å; I603-I696 HydrophobicContact CG2-CD1 3.88Å; I603-I696 HydrophobicContact CG2-CG1 3.62Å; I603-I696 PolarHBondContact N-O 2.9Å; I603-I696 PolarHBondContact O-N 2.65Å; I603-I698 HydrophobicContact CB-CG1 4.3Å; I603-I698 HydrophobicContact CG2-CD1 3.68Å; I603-I698 HydrophobicContact CG2-CG1 3.55Å
604L92.7Very high87.1Confident57 Ų5744.3 Ų44.330%0.29824%0.242SC..EExtended strand (participates in β ladder)trans-55.9136172.3-16578.5000110L633 F636 L694L604-L633 HydrophobicContact CD1-CD2 4.02Å; L604-F636 WeakPolarHBondContact CB-O 3.42Å; L604-F636 PolarHBondContact N-O 2.96Å; L604-L694 WeakPolarHBondContact CA-O 3.49Å; L604-L694 WeakPolarHBondContact CD1-O 3.34Å
605A90.8Very high86.6Confident2 Ų246.9 Ų46.92%0.01725%0.254CS..  trans-66.9137177.500000110.4H607 S608 R693 L694 I696 A870A605-H607 PolarHBondContact O-N 3.05Å; A605-S608 WeakPolarHBondContact O-CB 3.33Å; A605-S608 PolarHBondContact O-N 2.99Å; A605-S608 PolarHBondContact O-OG 3.37Å; A605-R693 WeakPolarHBondContact CB-O 3.38Å; A605-L694 PolarHBondContact N-O 3.44Å; A605-I696 HydrophobicContact CB-CG2 3.94Å; A605-A870 HydrophobicContact CB-CB 4.29Å
606P86.4Confident86.3Confident89 Ų8946.4 Ų46.458%0.57825%0.251SS*.THydrogen-bonded Turntrans-54.6-36.9176.5-28.835.3000113.2I872P606-I872 HydrophobicContact CG-CD1 4.08Å; P606-I872 HydrophobicContact CG-CG1 4.25Å
607H84.5Confident86Confident44 Ų4449.9 Ų49.920%0.20427%0.269CS..THydrogen-bonded Turntrans-98.120.5177.3-48-67.5000113.3L8 A605 K609 A610 G871L8-H607 HydrophobicContact CD1-CB 3.64Å; A605-H607 PolarHBondContact O-N 3.05Å; H607-K609 PolarHBondContact O-N 3.34Å; H607-K609 VanDerWaalsContact O-N 3.17Å; H607-A610 HydrophobicContact CB-CB 4.39Å; H607-A610 VanDerWaalsContact O-CB 3.32Å; H607-A610 WeakPolarHBondContact O-CB 3.44Å; H607-A610 PolarHBondContact O-N 3.32Å; H607-G871 PolarHBondContact NE2-O 3.43Å
608S85.1Confident86Confident15 Ų1548.3 Ų48.311%0.10527%0.268CS..G310 helixtrans-50.9-38.3176.749.50000112.9A605 A610 W611 F612A605-S608 WeakPolarHBondContact O-CB 3.33Å; A605-S608 PolarHBondContact O-N 2.99Å; A605-S608 PolarHBondContact O-OG 3.37Å; S608-A610 VanDerWaalsContact C-N 3.27Å; S608-A610 PolarHBondContact O-N 2.84Å; S608-W611 PolarHBondContact O-N 2.86Å; S608-F612 PolarHBondContact O-N 3.26Å
609K84.5Confident86.3Confident189 Ų18950.6 Ų50.682%0.82228%0.275SS*.G310 helixtrans-55.5-35.4172.5-73.1-179177.5174.40113.6H607 W611 F612H607-K609 PolarHBondContact O-N 3.34Å; H607-K609 VanDerWaalsContact O-N 3.17Å; K609-W611 PolarHBondContact O-N 3.49Å; K609-F612 PolarHBondContact O-N 3.38Å
610A81.6Confident86.6Confident27 Ų2746.1 Ų46.122%0.22325%0.25CS..G310 helixtrans-73.8-1717900000113.1L8 Y10 V509 H607 S608L8-A610 HydrophobicContact CD1-CB 4.33Å; Y10-A610 HydrophobicContact CE1-CB 4.24Å; Y10-A610 WeakPolarHBondContact OH-CB 3.32Å; V509-A610 HydrophobicContact CG1-CB 4.2Å; V509-A610 HydrophobicContact CG2-CB 4.36Å; H607-A610 HydrophobicContact CB-CB 4.39Å; H607-A610 VanDerWaalsContact O-CB 3.32Å; H607-A610 WeakPolarHBondContact O-CB 3.44Å; H607-A610 PolarHBondContact O-N 3.32Å; S608-A610 VanDerWaalsContact C-N 3.27Å; S608-A610 PolarHBondContact O-N 2.84Å
611W81.9Confident86.7Confident4 Ų447.5 Ų47.52%0.01527%0.266CS..G310 helixtrans-1031.1177.6-59.5117.2000113.2L8 L498 V509 V511 S608 K609 T613 R693 A870L8-W611 HydrophobicContact CD1-CZ2 4.43Å; L8-W611 HydrophobicContact CD2-CH2 4.29Å; L8-W611 HydrophobicContact CD2-CZ2 3.47Å; L8-W611 VanDerWaalsContact CD2-CZ2 3.47Å; L498-W611 HydrophobicContact CB-CE3 4.37Å; L498-W611 HydrophobicContact CD1-CB 3.91Å; L498-W611 HydrophobicContact CD1-CD2 4.34Å; L498-W611 HydrophobicContact CD1-CE3 3.82Å; L498-W611 HydrophobicContact CD1-CG 4.43Å; L498-W611 HydrophobicContact CG-CE3 3.8Å; L498-W611 HydrophobicContact CG-CZ3 4.22Å; V509-W611 HydrophobicContact CB-CH2 4.49Å; V509-W611 HydrophobicContact CB-CZ3 4.22Å; V509-W611 HydrophobicContact CG1-CE3 4.43Å; V509-W611 HydrophobicContact CG1-CH2 3.95Å; V509-W611 HydrophobicContact CG1-CZ2 4.12Å; V509-W611 HydrophobicContact CG1-CZ3 4.09Å; V509-W611 WeakPolarHBondContact O-CH2 3.23Å; V509-W611 WeakPolarHBondContact O-CZ3 3.45Å; V511-W611 HydrophobicContact CG2-CH2 4.26Å; V511-W611 HydrophobicContact CG2-CZ2 4.38Å; S608-W611 PolarHBondContact O-N 2.86Å; K609-W611 PolarHBondContact O-N 3.49Å; W611-T613 PolarHBondContact O-N 3.16Å; W611-R693 HydrophobicContact CD2-CB 4.22Å; W611-R693 HydrophobicContact CG-CB 3.87Å; W611-A870 PolarHBondContact NE1-O 2.75Å
612F83.4Confident86.7Confident89 Ų8952.5 Ų52.539%0.3930%0.297SS..  trans-93.889-173.5-162.9-83.5000112.1S608 K609 I617 F629 L633 L694S608-F612 PolarHBondContact O-N 3.26Å; K609-F612 PolarHBondContact O-N 3.38Å; F612-I617 HydrophobicContact CE1-CD1 4Å; F612-I617 HydrophobicContact CE1-CG1 4.26Å; F612-I617 HydrophobicContact CZ-CD1 3.88Å; F612-I617 HydrophobicContact CZ-CG1 3.89Å; F612-F629 AromaticContact CE2-CE1 3.69Å; F612-F629 HydrophobicContact CE2-CE1 3.69Å; F612-F629 HydrophobicContact CE2-CZ 4.24Å; F612-F629 HydrophobicContact CZ-CE1 4.11Å; F612-L633 HydrophobicContact CE2-CD1 4.12Å; F612-L694 HydrophobicContact CD2-CD2 4.44Å
613T80.4Confident86.4Confident8 Ų855 Ų555%0.04932%0.315CS..  trans-85.9141.7171.2-45.80000109.8N500 D502 W611 Q615 L616N500-T613 PolarHBondContact OD1-OG1 3.43Å; N500-T613 VanDerWaalsContact OD1-OG1 3.09Å; D502-T613 WeakPolarHBondContact OD2-CG2 3.34Å; W611-T613 PolarHBondContact O-N 3.16Å; T613-Q615 HydrophobicContact CG2-CB 4.08Å; T613-Q615 HydrophobicContact CG2-CG 4.25Å; T613-Q615 PolarHBondContact O-N 3.34Å; T613-L616 WeakPolarHBondContact O-CB 3.32Å; T613-L616 PolarHBondContact O-N 3.34Å
614P79.8Confident86.3Confident87 Ų8754.3 Ų54.357%0.56531%0.311SS*.THydrogen-bonded Turntrans-61.3-31.6178.124-33.9000112.9D502 L616 I617D502-P614 WeakPolarHBondContact OD2-CD 3.34Å; D502-P614 WeakPolarHBondContact OD2-CG 3.46Å; P614-L616 PolarHBondContact O-N 2.82Å; P614-L616 VanDerWaalsContact O-N 3.11Å; P614-I617 PolarHBondContact O-N 3.25Å
615Q83.8Confident86Confident63 Ų6356.4 Ų56.429%0.29433%0.328SS..Hα-helixtrans-55.8-25171.2-60.9-176.48.300113.3T501 D502 T613 I617 G618 Q619T501-Q615 PolarHBondContact OG1-OE1 3.41Å; D502-Q615 VanDerWaalsContact CG-NE2 3.26Å; D502-Q615 PolarHBondContact OD1-NE2 3.16Å; D502-Q615 WeakPolarHBondContact OD2-CG 3.35Å; T613-Q615 HydrophobicContact CG2-CB 4.08Å; T613-Q615 HydrophobicContact CG2-CG 4.25Å; T613-Q615 PolarHBondContact O-N 3.34Å; Q615-I617 VanDerWaalsContact C-N 3.3Å; Q615-I617 PolarHBondContact O-N 3.19Å; Q615-G618 PolarHBondContact O-N 3.04Å; Q615-Q619 WeakPolarHBondContact O-CG 3.08Å; Q615-Q619 PolarHBondContact O-N 2.85Å
616L87Confident85.7Confident7 Ų762.8 Ų62.84%0.03736%0.361CS..Hα-helixtrans-65.7-32.5-179.3-151.870000112.3T613 P614 Q619 F620 W688 R692 L694T613-L616 WeakPolarHBondContact O-CB 3.32Å; T613-L616 PolarHBondContact O-N 3.34Å; P614-L616 PolarHBondContact O-N 2.82Å; P614-L616 VanDerWaalsContact O-N 3.11Å; L616-Q619 PolarHBondContact O-N 3.38Å; L616-F620 WeakPolarHBondContact O-CB 3.38Å; L616-F620 PolarHBondContact O-N 3.29Å; L616-W688 HydrophobicContact CG-CH2 4.2Å; L616-R692 HydrophobicContact CD1-CG 4.04Å; L616-L694 HydrophobicContact CD2-CD1 3.93Å; L616-L694 HydrophobicContact CD2-CD2 4.04Å; L616-L694 HydrophobicContact CD2-CG 4.37Å
617I86.8Confident85.7Confident82 Ų8259.3 Ų59.342%0.42134%0.339SS..Hα-helixtrans-67.9-44.5177.1-53.7173000109.8F612 P614 Q615 F620 A621 F629F612-I617 HydrophobicContact CE1-CD1 4Å; F612-I617 HydrophobicContact CE1-CG1 4.26Å; F612-I617 HydrophobicContact CZ-CD1 3.88Å; F612-I617 HydrophobicContact CZ-CG1 3.89Å; P614-I617 PolarHBondContact O-N 3.25Å; Q615-I617 VanDerWaalsContact C-N 3.3Å; Q615-I617 PolarHBondContact O-N 3.19Å; I617-F620 WeakPolarHBondContact O-CB 3.44Å; I617-F620 PolarHBondContact O-N 3.23Å; I617-F620 VanDerWaalsContact O-N 3.16Å; I617-A621 PolarHBondContact O-N 3.3Å; I617-F629 HydrophobicContact CG1-CD1 4.27Å; I617-F629 HydrophobicContact CG1-CE1 4.16Å
618G86.8Confident86Confident43 Ų4361 Ų6144%0.44335%0.349SS..Hα-helixtrans-64-39.5174.500000112.8Q615 F620 T622Q615-G618 PolarHBondContact O-N 3.04Å; G618-F620 VanDerWaalsContact C-N 3.31Å; G618-F620 PolarHBondContact O-N 3.1Å; G618-T622 WeakPolarHBondContact O-CG2 3.42Å; G618-T622 PolarHBondContact O-N 3.48Å; G618-T622 VanDerWaalsContact O-N 3.11Å; G618-T622 PolarHBondContact O-OG1 3.2Å
619Q87.7Confident86.2Confident70 Ų7061.2 Ų61.233%0.32735%0.348SS..Hα-helixtrans-63.8-35.9171.7-70.1177.223.300112.4Q615 L616 T622 S623 W688Q615-Q619 WeakPolarHBondContact O-CG 3.08Å; Q615-Q619 PolarHBondContact O-N 2.85Å; L616-Q619 PolarHBondContact O-N 3.38Å; Q619-T622 PolarHBondContact O-OG1 2.94Å; Q619-T622 VanDerWaalsContact O-OG1 3.12Å; Q619-S623 WeakPolarHBondContact O-CB 3.26Å; Q619-S623 PolarHBondContact O-N 3.49Å; Q619-S623 PolarHBondContact O-OG 2.81Å; Q619-W688 HydrophobicContact CB-CZ2 4.36Å
620F90.9Very high86.4Confident4 Ų455.1 Ų55.12%0.01833%0.333CS..Hα-helixtrans-67-51176.4-174-89.1000110.9L616 I617 G618 T622 S623 F624 V627 F629 L632 L685 W688L616-F620 WeakPolarHBondContact O-CB 3.38Å; L616-F620 PolarHBondContact O-N 3.29Å; I617-F620 WeakPolarHBondContact O-CB 3.44Å; I617-F620 PolarHBondContact O-N 3.23Å; I617-F620 VanDerWaalsContact O-N 3.16Å; G618-F620 VanDerWaalsContact C-N 3.31Å; G618-F620 PolarHBondContact O-N 3.1Å; F620-T622 PolarHBondContact O-N 2.96Å; F620-S623 CarbonylContact O-C 3.53Å; F620-S623 WeakPolarHBondContact O-CA 3.32Å; F620-S623 WeakPolarHBondContact O-CB 3.28Å; F620-S623 PolarHBondContact O-N 2.83Å; F620-F624 HydrophobicContact CD2-CD2 4.03Å; F620-F624 HydrophobicContact CE1-CB 4.03Å; F620-F624 HydrophobicContact CE2-CB 4.38Å; F620-F624 AromaticContact CE2-CD2 3.67Å; F620-F624 HydrophobicContact CE2-CD2 3.67Å; F620-F624 HydrophobicContact CE2-CE2 4.4Å; F620-F624 HydrophobicContact CE2-CG 4.38Å; F620-F624 HydrophobicContact CZ-CB 3.88Å; F620-F624 HydrophobicContact CZ-CD2 4.04Å; F620-F624 HydrophobicContact CZ-CG 4.3Å; F620-F624 PolarHBondContact O-N 3.49Å; F620-V627 HydrophobicContact CE1-CB 4.01Å; F620-V627 HydrophobicContact CE1-CG1 4.07Å; F620-V627 WeakPolarHBondContact CE1-O 3.25Å; F620-V627 HydrophobicContact CZ-CB 3.99Å; F620-V627 HydrophobicContact CZ-CG1 3.76Å; F620-F629 HydrophobicContact CB-CD2 4.23Å; F620-F629 HydrophobicContact CB-CE2 4.45Å; F620-F629 HydrophobicContact CB-CG 4.34Å; F620-F629 HydrophobicContact CD1-CB 3.62Å; F620-F629 AromaticContact CD1-CD2 3.85Å; F620-F629 HydrophobicContact CD1-CD2 3.85Å; F620-F629 AromaticContact CD1-CG 3.9Å; F620-F629 HydrophobicContact CD1-CG 3.9Å; F620-F629 AromaticContact CD2-CD2 3.45Å; F620-F629 HydrophobicContact CD2-CD2 3.45Å; F620-F629 VanDerWaalsContact CD2-CD2 3.45Å; F620-F629 AromaticContact CD2-CE2 3.72Å; F620-F629 HydrophobicContact CD2-CE2 3.72Å; F620-F629 HydrophobicContact CD2-CG 4.27Å; F620-F629 HydrophobicContact CE1-CB 3.8Å; F620-F629 HydrophobicContact CE1-CD2 4.06Å; F620-F629 HydrophobicContact CE1-CG 4.3Å; F620-F629 AromaticContact CE2-CD2 3.68Å; F620-F629 HydrophobicContact CE2-CD2 3.68Å; F620-F629 HydrophobicContact CE2-CE2 4.16Å; F620-F629 HydrophobicContact CG-CB 4.14Å; F620-F629 AromaticContact CG-CD2 3.53Å; F620-F629 HydrophobicContact CG-CD2 3.53Å; F620-F629 HydrophobicContact CG-CE2 4.05Å; F620-F629 AromaticContact CG-CG 3.88Å; F620-F629 HydrophobicContact CG-CG 3.88Å; F620-F629 HydrophobicContact CZ-CB 4.45Å; F620-F629 AromaticContact CZ-CD2 3.99Å; F620-F629 HydrophobicContact CZ-CD2 3.99Å; F620-L632 HydrophobicContact CE2-CD2 3.56Å; F620-L632 HydrophobicContact CZ-CD2 3.52Å; F620-L685 HydrophobicContact CE2-CD1 3.66Å; F620-L685 HydrophobicContact CZ-CD1 3.91Å; F620-W688 HydrophobicContact CB-CH2 3.67Å; F620-W688 HydrophobicContact CB-CZ2 3.78Å; F620-W688 HydrophobicContact CD2-CD2 4.36Å; F620-W688 HydrophobicContact CD2-CE3 4.01Å; F620-W688 AromaticContact CD2-CH2 3.61Å; F620-W688 HydrophobicContact CD2-CH2 3.61Å; F620-W688 AromaticContact CD2-CZ2 3.91Å; F620-W688 HydrophobicContact CD2-CZ2 3.91Å; F620-W688 AromaticContact CD2-CZ3 3.65Å; F620-W688 HydrophobicContact CD2-CZ3 3.65Å; F620-W688 HydrophobicContact CE2-CZ3 4.45Å; F620-W688 HydrophobicContact CG-CH2 4.14Å; F620-W688 HydrophobicContact CG-CZ2 4.34Å
621A89.4Confident86.7Confident57 Ų5756.8 Ų56.847%0.47134%0.336SS..Hα-helixtrans-59.8-32.618000000113.1I617 P625I617-A621 PolarHBondContact O-N 3.3Å; A621-P625 WeakPolarHBondContact O-CA 3.17Å
622T90.3Very high87.1Confident122 Ų12256.6 Ų56.675%0.74834%0.335SS*.Hα-helixtrans-79.2-14.7172.753.60000114.2G618 Q619 F620G618-T622 WeakPolarHBondContact O-CG2 3.42Å; G618-T622 PolarHBondContact O-N 3.48Å; G618-T622 VanDerWaalsContact O-N 3.11Å; G618-T622 PolarHBondContact O-OG1 3.2Å; Q619-T622 PolarHBondContact O-OG1 2.94Å; Q619-T622 VanDerWaalsContact O-OG1 3.12Å; F620-T622 PolarHBondContact O-N 2.96Å
623S87.8Confident87.3Confident53 Ų5353.8 Ų53.837%0.37132%0.324SS..Hα-helixtrans-94.7-37.2176.9-56.60000113Q619 F620 W688Q619-S623 WeakPolarHBondContact O-CB 3.26Å; Q619-S623 PolarHBondContact O-N 3.49Å; Q619-S623 PolarHBondContact O-OG 2.81Å; F620-S623 CarbonylContact O-C 3.53Å; F620-S623 WeakPolarHBondContact O-CA 3.32Å; F620-S623 WeakPolarHBondContact O-CB 3.28Å; F620-S623 PolarHBondContact O-N 2.83Å; S623-W688 PolarHBondContact OG-NE1 2.91Å
624F90.8Very high87.7Confident29 Ų2957.8 Ų57.813%0.12735%0.349CS..  trans-143.174.6-172.8-56.7-75.1000109.7F620 D626 V627 L685 W688F620-F624 HydrophobicContact CD2-CD2 4.03Å; F620-F624 HydrophobicContact CE1-CB 4.03Å; F620-F624 HydrophobicContact CE2-CB 4.38Å; F620-F624 AromaticContact CE2-CD2 3.67Å; F620-F624 HydrophobicContact CE2-CD2 3.67Å; F620-F624 HydrophobicContact CE2-CE2 4.4Å; F620-F624 HydrophobicContact CE2-CG 4.38Å; F620-F624 HydrophobicContact CZ-CB 3.88Å; F620-F624 HydrophobicContact CZ-CD2 4.04Å; F620-F624 HydrophobicContact CZ-CG 4.3Å; F620-F624 PolarHBondContact O-N 3.49Å; F624-D626 VanDerWaalsContact C-N 3.29Å; F624-D626 PolarHBondContact O-N 2.91Å; F624-V627 HydrophobicContact CB-CB 4.24Å; F624-V627 HydrophobicContact CB-CG2 4.23Å; F624-V627 PolarHBondContact O-N 3.28Å; F624-L685 HydrophobicContact CD1-CD1 4.01Å; F624-L685 HydrophobicContact CD2-CD1 3.52Å; F624-L685 HydrophobicContact CE1-CB 4.27Å; F624-L685 HydrophobicContact CE1-CD1 4Å; F624-L685 HydrophobicContact CE2-CD1 3.51Å; F624-L685 HydrophobicContact CG-CD1 3.78Å; F624-L685 HydrophobicContact CZ-CB 4.14Å; F624-L685 HydrophobicContact CZ-CD1 3.77Å; F624-W688 HydrophobicContact CE2-CB 3.89Å; F624-W688 AromaticContact CE2-CD1 3.58Å; F624-W688 HydrophobicContact CE2-CD2 4.18Å; F624-W688 AromaticContact CE2-CG 3.67Å; F624-W688 HydrophobicContact CE2-CG 3.67Å; F624-W688 HydrophobicContact CZ-CB 4.24Å; F624-W688 HydrophobicContact CZ-CG 4.42Å
625P86.5Confident88.1Confident101 Ų10155 Ų5566%0.65633%0.332SS*.THydrogen-bonded Turntrans-65.5-29.3-171.925.5-34.2000113.7A621 V627A621-P625 WeakPolarHBondContact O-CA 3.17Å; P625-V627 VanDerWaalsContact C-N 3.33Å; P625-V627 PolarHBondContact O-N 3.4Å
626D84.1Confident88.4Confident135 Ų13552 Ų5272%0.72232%0.318SS*.THydrogen-bonded Turntrans-86.21.1-176.1-53.4-74.1000114.2F624F624-D626 VanDerWaalsContact C-N 3.29Å; F624-D626 PolarHBondContact O-N 2.91Å
627V87.6Confident88.4Confident17 Ų1755.1 Ų55.110%0.10334%0.34CS..SBendtrans-110.2131.5-176178.90000111.3F620 F624 P625 F629 L632 W674 L677F620-V627 HydrophobicContact CE1-CB 4.01Å; F620-V627 HydrophobicContact CE1-CG1 4.07Å; F620-V627 WeakPolarHBondContact CE1-O 3.25Å; F620-V627 HydrophobicContact CZ-CB 3.99Å; F620-V627 HydrophobicContact CZ-CG1 3.76Å; F624-V627 HydrophobicContact CB-CB 4.24Å; F624-V627 HydrophobicContact CB-CG2 4.23Å; F624-V627 PolarHBondContact O-N 3.28Å; P625-V627 VanDerWaalsContact C-N 3.33Å; P625-V627 PolarHBondContact O-N 3.4Å; V627-F629 PolarHBondContact O-N 2.67Å; V627-L632 HydrophobicContact CG1-CB 4.27Å; V627-L632 HydrophobicContact CG1-CD2 4.22Å; V627-W674 HydrophobicContact CG1-CB 3.94Å; V627-W674 HydrophobicContact CG2-CB 4.23Å; V627-L677 HydrophobicContact CG2-CD1 3.78Å
628N89.1Confident88.2Confident78 Ų7855.9 Ų55.942%0.41735%0.348SS..  trans-76.8113.8169.3-177.4-21.2000110.5A630 E631 L632N628-A630 VanDerWaalsContact C-N 3.32Å; N628-A630 PolarHBondContact O-N 2.82Å; N628-A630 PolarHBondContact OD1-N 3.02Å; N628-E631 HydrophobicContact CB-CB 3.73Å; N628-E631 PolarHBondContact O-N 2.98Å; N628-E631 PolarHBondContact OD1-N 3.33Å; N628-L632 WeakPolarHBondContact O-CB 3.46Å; N628-L632 PolarHBondContact O-N 2.97Å
629F90.3Very high87.9Confident20 Ų2056.8 Ų56.89%0.08835%0.348CS..Hα-helixtrans-63.5-33.6-178.4-172-135.2000113.6F612 I617 F620 V627 L632 L633 W688 L689 L694F612-F629 AromaticContact CE2-CE1 3.69Å; F612-F629 HydrophobicContact CE2-CE1 3.69Å; F612-F629 HydrophobicContact CE2-CZ 4.24Å; F612-F629 HydrophobicContact CZ-CE1 4.11Å; I617-F629 HydrophobicContact CG1-CD1 4.27Å; I617-F629 HydrophobicContact CG1-CE1 4.16Å; F620-F629 HydrophobicContact CB-CD2 4.23Å; F620-F629 HydrophobicContact CB-CE2 4.45Å; F620-F629 HydrophobicContact CB-CG 4.34Å; F620-F629 HydrophobicContact CD1-CB 3.62Å; F620-F629 AromaticContact CD1-CD2 3.85Å; F620-F629 HydrophobicContact CD1-CD2 3.85Å; F620-F629 AromaticContact CD1-CG 3.9Å; F620-F629 HydrophobicContact CD1-CG 3.9Å; F620-F629 AromaticContact CD2-CD2 3.45Å; F620-F629 HydrophobicContact CD2-CD2 3.45Å; F620-F629 VanDerWaalsContact CD2-CD2 3.45Å; F620-F629 AromaticContact CD2-CE2 3.72Å; F620-F629 HydrophobicContact CD2-CE2 3.72Å; F620-F629 HydrophobicContact CD2-CG 4.27Å; F620-F629 HydrophobicContact CE1-CB 3.8Å; F620-F629 HydrophobicContact CE1-CD2 4.06Å; F620-F629 HydrophobicContact CE1-CG 4.3Å; F620-F629 AromaticContact CE2-CD2 3.68Å; F620-F629 HydrophobicContact CE2-CD2 3.68Å; F620-F629 HydrophobicContact CE2-CE2 4.16Å; F620-F629 HydrophobicContact CG-CB 4.14Å; F620-F629 AromaticContact CG-CD2 3.53Å; F620-F629 HydrophobicContact CG-CD2 3.53Å; F620-F629 HydrophobicContact CG-CE2 4.05Å; F620-F629 AromaticContact CG-CG 3.88Å; F620-F629 HydrophobicContact CG-CG 3.88Å; F620-F629 HydrophobicContact CZ-CB 4.45Å; F620-F629 AromaticContact CZ-CD2 3.99Å; F620-F629 HydrophobicContact CZ-CD2 3.99Å; V627-F629 PolarHBondContact O-N 2.67Å; F629-L632 HydrophobicContact CD2-CD2 4.46Å; F629-L633 HydrophobicContact CD1-CD1 4.35Å; F629-L633 HydrophobicContact CD2-CD1 4.41Å; F629-L633 HydrophobicContact CD2-CG 4.29Å; F629-L633 HydrophobicContact CE1-CD1 3.93Å; F629-L633 HydrophobicContact CE2-CD1 3.98Å; F629-L633 HydrophobicContact CE2-CD2 4.25Å; F629-L633 HydrophobicContact CE2-CG 4.02Å; F629-L633 HydrophobicContact CZ-CD1 3.73Å; F629-L633 HydrophobicContact CZ-CG 4.29Å; F629-L633 WeakPolarHBondContact O-CG 3.32Å; F629-L633 PolarHBondContact O-N 2.93Å; F629-W688 HydrophobicContact CE2-CH2 4.42Å; F629-W688 HydrophobicContact CE2-CZ3 4.05Å; F629-W688 HydrophobicContact CZ-CZ3 4.43Å; F629-L689 HydrophobicContact CE2-CD2 4.25Å; F629-L694 HydrophobicContact CE2-CD1 4.08Å; F629-L694 HydrophobicContact CZ-CD1 3.78Å
630A88.2Confident87.6Confident61 Ų6154.2 Ų54.250%0.50434%0.336SS..Hα-helixtrans-74.4-40.9178.300000111.4N628 L632 L633 T634N628-A630 VanDerWaalsContact C-N 3.32Å; N628-A630 PolarHBondContact O-N 2.82Å; N628-A630 PolarHBondContact OD1-N 3.02Å; A630-L632 VanDerWaalsContact C-N 3.33Å; A630-L633 PolarHBondContact O-N 3.19Å; A630-T634 VanDerWaalsContact O-CB 3.31Å; A630-T634 WeakPolarHBondContact O-CB 3.23Å; A630-T634 PolarHBondContact O-N 3.21Å; A630-T634 PolarHBondContact O-OG1 2.94Å
631E87.7Confident87.3Confident63 Ų6356.6 Ų56.629%0.29435%0.348SS..Hα-helixtrans-58.6-46.4172.3-168.1-170.9143.200110.6N628 T634 S635 T672 S673N628-E631 HydrophobicContact CB-CB 3.73Å; N628-E631 PolarHBondContact O-N 2.98Å; N628-E631 PolarHBondContact OD1-N 3.33Å; E631-T634 PolarHBondContact O-N 3.31Å; E631-S635 PolarHBondContact O-N 3.09Å; E631-T672 PolarHBondContact OE2-OG1 2.93Å; E631-T672 VanDerWaalsContact OE2-OG1 3.09Å; E631-S673 VanDerWaalsContact OE1-CA 3.32Å; E631-S673 WeakPolarHBondContact OE1-CA 3.28Å
632L90.1Very high86.8Confident0 Ų054.3 Ų54.30%033%0.328CS..Hα-helixtrans-58.6-52.9175.7179.864.6000112.4F620 V627 N628 F629 A630 T634 S635 F636 W674 L685 L689F620-L632 HydrophobicContact CE2-CD2 3.56Å; F620-L632 HydrophobicContact CZ-CD2 3.52Å; V627-L632 HydrophobicContact CG1-CB 4.27Å; V627-L632 HydrophobicContact CG1-CD2 4.22Å; N628-L632 WeakPolarHBondContact O-CB 3.46Å; N628-L632 PolarHBondContact O-N 2.97Å; F629-L632 HydrophobicContact CD2-CD2 4.46Å; A630-L632 VanDerWaalsContact C-N 3.33Å; L632-T634 VanDerWaalsContact C-N 3.3Å; L632-T634 PolarHBondContact O-N 2.84Å; L632-S635 PolarHBondContact O-N 3.18Å; L632-S635 PolarHBondContact O-OG 3.01Å; L632-F636 HydrophobicContact CD1-CE2 3.64Å; L632-F636 HydrophobicContact CD1-CZ 4.36Å; L632-F636 HydrophobicContact CG-CE2 4.08Å; L632-F636 WeakPolarHBondContact O-CD2 2.98Å; L632-W674 HydrophobicContact CD1-CD2 3.47Å; L632-W674 VanDerWaalsContact CD1-CD2 3.47Å; L632-W674 VanDerWaalsContact CD1-CE2 3.4Å; L632-W674 HydrophobicContact CD1-CE3 4.01Å; L632-W674 HydrophobicContact CD1-CG 3.71Å; L632-W674 HydrophobicContact CD1-CH2 4.33Å; L632-W674 HydrophobicContact CD1-CZ2 3.88Å; L632-W674 HydrophobicContact CD1-CZ3 4.4Å; L632-L685 HydrophobicContact CD1-CD2 3.75Å; L632-L685 HydrophobicContact CD1-CG 4.37Å; L632-L685 HydrophobicContact CD2-CD1 3.73Å; L632-L685 HydrophobicContact CD2-CD2 4Å; L632-L685 HydrophobicContact CD2-CG 3.99Å; L632-L689 HydrophobicContact CD1-CD1 4.43Å; L632-L689 HydrophobicContact CD2-CD1 4.14Å; L632-L689 HydrophobicContact CD2-CD2 4.34Å; L632-L689 HydrophobicContact CG-CD1 4.29Å
633L89.2Confident85.9Confident29 Ų2953.2 Ų53.215%0.15231%0.313CS..Hα-helixtrans-64.5-34.9178.5-70.1179.4000112.6L604 F612 F629 A630 S635 F636 S637 L689 L694L604-L633 HydrophobicContact CD1-CD2 4.02Å; F612-L633 HydrophobicContact CE2-CD1 4.12Å; F629-L633 HydrophobicContact CD1-CD1 4.35Å; F629-L633 HydrophobicContact CD2-CD1 4.41Å; F629-L633 HydrophobicContact CD2-CG 4.29Å; F629-L633 HydrophobicContact CE1-CD1 3.93Å; F629-L633 HydrophobicContact CE2-CD1 3.98Å; F629-L633 HydrophobicContact CE2-CD2 4.25Å; F629-L633 HydrophobicContact CE2-CG 4.02Å; F629-L633 HydrophobicContact CZ-CD1 3.73Å; F629-L633 HydrophobicContact CZ-CG 4.29Å; F629-L633 WeakPolarHBondContact O-CG 3.32Å; F629-L633 PolarHBondContact O-N 2.93Å; A630-L633 PolarHBondContact O-N 3.19Å; L633-S635 VanDerWaalsContact C-N 3.29Å; L633-S635 PolarHBondContact O-N 3.47Å; L633-F636 PolarHBondContact O-N 2.82Å; L633-F636 VanDerWaalsContact O-N 3.12Å; L633-S637 PolarHBondContact O-N 3.47Å; L633-L689 HydrophobicContact CD2-CD2 4.2Å; L633-L694 HydrophobicContact CD2-CB 4.27Å; L633-L694 HydrophobicContact CD2-CD1 4.33Å
634T88.7Confident84.9Confident92 Ų9255.7 Ų55.756%0.56432%0.322SS*.Hα-helixtrans-62-38.3174.8-56.30000111A630 E631 L632 F636 S637A630-T634 VanDerWaalsContact O-CB 3.31Å; A630-T634 WeakPolarHBondContact O-CB 3.23Å; A630-T634 PolarHBondContact O-N 3.21Å; A630-T634 PolarHBondContact O-OG1 2.94Å; E631-T634 PolarHBondContact O-N 3.31Å; L632-T634 VanDerWaalsContact C-N 3.3Å; L632-T634 PolarHBondContact O-N 2.84Å; T634-F636 PolarHBondContact O-N 2.92Å; T634-S637 VanDerWaalsContact O-CB 3.29Å; T634-S637 WeakPolarHBondContact O-CB 3.42Å; T634-S637 PolarHBondContact O-N 3.38Å; T634-S637 PolarHBondContact O-OG 2.97Å
635S87.3Confident83.4Confident30 Ų3057.5 Ų57.521%0.2133%0.33CS..Hα-helixtrans-66.4-13.8176.368.60000115E631 L632 L633 F640 W674E631-S635 PolarHBondContact O-N 3.09Å; L632-S635 PolarHBondContact O-N 3.18Å; L632-S635 PolarHBondContact O-OG 3.01Å; L633-S635 VanDerWaalsContact C-N 3.29Å; L633-S635 PolarHBondContact O-N 3.47Å; S635-F640 WeakPolarHBondContact O-CD2 3.33Å; S635-W674 VanDerWaalsContact OG-CZ2 3.25Å; S635-W674 WeakPolarHBondContact OG-CZ2 3.07Å; S635-W674 PolarHBondContact OG-NE1 3.43Å; S635-W674 VanDerWaalsContact OG-NE1 3.1Å
636F89.8Confident82Confident0 Ų055.6 Ų55.60%031%0.312CS..THydrogen-bonded Turntrans-102.53.4170.3-60.3-71000113.8I603 L604 L632 L633 T634 T638 F640 W674 I686 L689 I695I603-F636 CarbonylContact C-O 3.52Å; I603-F636 WeakPolarHBondContact CG1-O 3.36Å; L604-F636 WeakPolarHBondContact CB-O 3.42Å; L604-F636 PolarHBondContact N-O 2.96Å; L632-F636 HydrophobicContact CD1-CE2 3.64Å; L632-F636 HydrophobicContact CD1-CZ 4.36Å; L632-F636 HydrophobicContact CG-CE2 4.08Å; L632-F636 WeakPolarHBondContact O-CD2 2.98Å; L633-F636 PolarHBondContact O-N 2.82Å; L633-F636 VanDerWaalsContact O-N 3.12Å; T634-F636 PolarHBondContact O-N 2.92Å; F636-T638 VanDerWaalsContact C-N 3.27Å; F636-T638 CarbonylContact C-O 3.56Å; F636-T638 VanDerWaalsContact C-O 3.25Å; F636-T638 PolarHBondContact O-N 3.5Å; F636-F640 HydrophobicContact CD1-CB 3.77Å; F636-F640 HydrophobicContact CD1-CD1 4.42Å; F636-F640 HydrophobicContact CD1-CG 4.17Å; F636-F640 HydrophobicContact CE1-CB 4.02Å; F636-F640 AromaticContact CE1-CD1 3.79Å; F636-F640 HydrophobicContact CE1-CD1 3.79Å; F636-F640 HydrophobicContact CE1-CE1 4.49Å; F636-F640 AromaticContact CE1-CG 3.96Å; F636-F640 HydrophobicContact CE1-CG 3.96Å; F636-W674 HydrophobicContact CE1-CH2 4.35Å; F636-W674 HydrophobicContact CE2-CH2 4.37Å; F636-W674 HydrophobicContact CE2-CZ2 4.25Å; F636-W674 AromaticContact CZ-CH2 3.67Å; F636-W674 HydrophobicContact CZ-CH2 3.67Å; F636-W674 AromaticContact CZ-CZ2 3.92Å; F636-W674 HydrophobicContact CZ-CZ2 3.92Å; F636-I686 HydrophobicContact CE1-CD1 3.88Å; F636-I686 HydrophobicContact CZ-CD1 3.51Å; F636-L689 HydrophobicContact CD2-CD1 4.18Å; F636-L689 HydrophobicContact CE2-CD1 3.46Å; F636-L689 VanDerWaalsContact CE2-CD1 3.46Å; F636-L689 HydrophobicContact CZ-CD1 4.04Å; F636-I695 HydrophobicContact CB-CG2 3.94Å; F636-I695 HydrophobicContact CD1-CG2 4.2Å; F636-I695 HydrophobicContact CD2-CG2 3.82Å; F636-I695 HydrophobicContact CE1-CD1 4.39Å; F636-I695 HydrophobicContact CE2-CG2 4.41Å; F636-I695 HydrophobicContact CG-CG2 3.72Å; F636-I695 HydrophobicContact CZ-CD1 4.42Å
637S87.4Confident80.3Confident72 Ų7254.6 Ų54.650%0.50331%0.307SS..THydrogen-bonded Turntrans-64.2-36.4174.7640000111.5L633 T634L633-S637 PolarHBondContact O-N 3.47Å; T634-S637 VanDerWaalsContact O-CB 3.29Å; T634-S637 WeakPolarHBondContact O-CB 3.42Å; T634-S637 PolarHBondContact O-N 3.38Å; T634-S637 PolarHBondContact O-OG 2.97Å
638T83.6Confident78.3Confident97 Ų9757.1 Ų57.160%0.59533%0.325SS*.SBendtrans-96.2168.5164.955.10000110.7F636 F640F636-T638 VanDerWaalsContact C-N 3.27Å; F636-T638 CarbonylContact C-O 3.56Å; F636-T638 VanDerWaalsContact C-O 3.25Å; F636-T638 PolarHBondContact O-N 3.5Å; T638-F640 PolarHBondContact O-N 2.85Å
639S80.5Confident76.1Confident62 Ų6257.7 Ų57.743%0.43434%0.335SS..  trans-67.6113.4176.2-73.20000111.6M601M601-S639 VanDerWaalsContact CE-OG 3.28Å; M601-S639 WeakPolarHBondContact CE-OG 3.33Å
640F80.6Confident73.5Confident17 Ų1763.2 Ų63.28%0.07537%0.365CS..EExtended strand (participates in β ladder)trans-101.8127.8-176.8-173.9-87.2000111.5M601 Y602 S635 F636 T638 L642 H645 W674M601-F640 CarbonylContact C-O 3.59Å; M601-F640 WeakPolarHBondContact CA-O 3.45Å; Y602-F640 PolarHBondContact N-O 3.33Å; Y602-F640 PolarHBondContact O-N 3.12Å; S635-F640 WeakPolarHBondContact O-CD2 3.33Å; F636-F640 HydrophobicContact CD1-CB 3.77Å; F636-F640 HydrophobicContact CD1-CD1 4.42Å; F636-F640 HydrophobicContact CD1-CG 4.17Å; F636-F640 HydrophobicContact CE1-CB 4.02Å; F636-F640 AromaticContact CE1-CD1 3.79Å; F636-F640 HydrophobicContact CE1-CD1 3.79Å; F636-F640 HydrophobicContact CE1-CE1 4.49Å; F636-F640 AromaticContact CE1-CG 3.96Å; F636-F640 HydrophobicContact CE1-CG 3.96Å; T638-F640 PolarHBondContact O-N 2.85Å; F640-L642 HydrophobicContact CE1-CD2 4.15Å; F640-L642 HydrophobicContact CE1-CG 4.47Å; F640-H645 AromaticContact CE2-CD2 3.5Å; F640-H645 VanDerWaalsContact CE2-CD2 3.5Å; F640-H645 WeakPolarHBondContact CE2-CD2 3.44Å; F640-H645 AromaticContact CE2-NE2 3.64Å; F640-H645 AromaticContact CZ-CD2 3.36Å; F640-H645 WeakPolarHBondContact CZ-CD2 3.25Å; F640-W674 HydrophobicContact CD1-CH2 4.23Å; F640-W674 HydrophobicContact CD2-CZ2 4.39Å; F640-W674 AromaticContact CE1-CH2 3.43Å; F640-W674 HydrophobicContact CE1-CH2 3.43Å; F640-W674 VanDerWaalsContact CE1-CH2 3.43Å; F640-W674 AromaticContact CE1-CZ2 4Å; F640-W674 HydrophobicContact CE1-CZ2 4Å; F640-W674 HydrophobicContact CE1-CZ3 4.42Å; F640-W674 HydrophobicContact CE2-CH2 4.02Å; F640-W674 AromaticContact CE2-CZ2 3.71Å; F640-W674 HydrophobicContact CE2-CZ2 3.71Å; F640-W674 AromaticContact CZ-CH2 3.29Å; F640-W674 HydrophobicContact CZ-CH2 3.29Å; F640-W674 AromaticContact CZ-CZ2 3.47Å; F640-W674 HydrophobicContact CZ-CZ2 3.47Å; F640-W674 VanDerWaalsContact CZ-CZ2 3.47Å; F640-W674 HydrophobicContact CZ-CZ3 4.31Å
641I84.1Confident71Confident53 Ų5364.8 Ų64.827%0.27237%0.373SS..EExtended strand (participates in β ladder)trans-104.4128.1172.8-59.6174.6000108.5M601 K643M601-I641 HydrophobicContact CB-CG1 4.2Å; M601-I641 HydrophobicContact CG-CG1 3.76Å; M601-I641 HydrophobicContact SD-CG1 4.24Å; I641-K643 VanDerWaalsContact C-N 3.28Å; I641-K643 HydrophobicContact CG2-CB 4.07Å; I641-K643 PolarHBondContact O-N 3.1Å
642L78.2Confident68.5Low9 Ų968.2 Ų68.25%0.04740%0.398CS..G310 helixtrans-59.8-37.8-177.5-87.8169.9000112.8I596 A598 N600 Y602 F640 D644 H645 F646 I686I596-L642 HydrophobicContact CG2-CD1 4Å; A598-L642 CarbonylContact O-C 3.56Å; A598-L642 VanDerWaalsContact O-CB 3.31Å; A598-L642 WeakPolarHBondContact O-CB 3.45Å; A598-L642 PolarHBondContact O-N 2.99Å; N600-L642 PolarHBondContact O-N 3.19Å; Y602-L642 HydrophobicContact CD2-CD1 4.34Å; Y602-L642 HydrophobicContact CD2-CG 4.31Å; Y602-L642 HydrophobicContact CE2-CD1 3.53Å; Y602-L642 HydrophobicContact CE2-CG 3.96Å; F640-L642 HydrophobicContact CE1-CD2 4.15Å; F640-L642 HydrophobicContact CE1-CG 4.47Å; L642-D644 VanDerWaalsContact C-N 3.3Å; L642-D644 PolarHBondContact O-N 2.96Å; L642-H645 PolarHBondContact O-N 2.81Å; L642-F646 HydrophobicContact CB-CE2 4.17Å; L642-F646 WeakPolarHBondContact O-CD2 3.28Å; L642-F646 VanDerWaalsContact O-CE2 3.31Å; L642-F646 WeakPolarHBondContact O-CE2 3.46Å; L642-I686 HydrophobicContact CD1-CG1 4.33Å; L642-I686 HydrophobicContact CD2-CD1 4.22Å; L642-I686 HydrophobicContact CD2-CG1 4.06Å
643K73.4Confident65.9Low100 Ų10074 Ų7444%0.43543%0.433SS..G310 helixtrans-56.2-39.4-174.4-164.5-161.6168.6-157.60113.4A598 I641 H645 F646A598-K643 HydrophobicContact CB-CB 4.31Å; A598-K643 WeakPolarHBondContact O-CB 3.41Å; A598-K643 PolarHBondContact O-N 3.12Å; I641-K643 VanDerWaalsContact C-N 3.28Å; I641-K643 HydrophobicContact CG2-CB 4.07Å; I641-K643 PolarHBondContact O-N 3.1Å; K643-H645 PolarHBondContact O-N 3.09Å; K643-F646 WeakPolarHBondContact O-CB 3.39Å; K643-F646 PolarHBondContact O-N 2.98Å
644D65.2Low63.1Low105 Ų10579.1 Ų79.156%0.56146%0.46SS*.G310 helixtrans-66.9-11.2-168.9-54.5-20.2000112.3L642L642-D644 VanDerWaalsContact C-N 3.3Å; L642-D644 PolarHBondContact O-N 2.96Å
645H59.5Low60.7Low66 Ų6682.5 Ų82.531%0.30648%0.475SS..G310 helixtrans-11831.4172.7-58.1-76.9000113.7F640 L642 K643 T675 K682F640-H645 AromaticContact CE2-CD2 3.5Å; F640-H645 VanDerWaalsContact CE2-CD2 3.5Å; F640-H645 WeakPolarHBondContact CE2-CD2 3.44Å; F640-H645 AromaticContact CE2-NE2 3.64Å; F640-H645 AromaticContact CZ-CD2 3.36Å; F640-H645 WeakPolarHBondContact CZ-CD2 3.25Å; L642-H645 PolarHBondContact O-N 2.81Å; K643-H645 PolarHBondContact O-N 3.09Å; H645-T675 HydrophobicContact CB-CG2 4.02Å; H645-T675 WeakPolarHBondContact ND1-CG2 3.49Å; H645-K682 PolarHBondContact O-NZ 2.87Å
646F56.6Low58.3Low62 Ų6289.2 Ų89.227%0.27251%0.508SS..THydrogen-bonded Turntrans-91.9-48.8163.6-80.5-117.6000111.1A598 L642 K643 S648 L679A598-F646 HydrophobicContact CB-CD2 4.27Å; A598-F646 HydrophobicContact CB-CE1 4.07Å; A598-F646 HydrophobicContact CB-CE2 3.58Å; A598-F646 HydrophobicContact CB-CZ 3.45Å; A598-F646 VanDerWaalsContact CB-CZ 3.45Å; L642-F646 HydrophobicContact CB-CE2 4.17Å; L642-F646 WeakPolarHBondContact O-CD2 3.28Å; L642-F646 VanDerWaalsContact O-CE2 3.31Å; L642-F646 WeakPolarHBondContact O-CE2 3.46Å; K643-F646 WeakPolarHBondContact O-CB 3.39Å; K643-F646 PolarHBondContact O-N 2.98Å; F646-S648 VanDerWaalsContact C-N 3.28Å; F646-S648 PolarHBondContact O-N 3.02Å; F646-L679 HydrophobicContact CE1-CD1 3.56Å; F646-L679 HydrophobicContact CE1-CD2 3.91Å; F646-L679 HydrophobicContact CE1-CG 4.33Å; F646-L679 HydrophobicContact CE2-CD1 4.4Å; F646-L679 HydrophobicContact CZ-CD1 3.39Å
647D50.3Low55.9Low114 Ų11498.1 Ų98.161%0.6155%0.549SS*.G310 helixtrans-76-16.2-165.6-59-35.8000113.3S649 N650D647-S649 PolarHBondContact O-N 2.82Å; D647-S649 VanDerWaalsContact O-N 3.14Å; D647-N650 PolarHBondContact O-N 3.29Å
648S45.3Very low53.7Low70 Ų70105.5 Ų105.549%0.4957%0.567SS.*G310 helixtrans-69.2-4.7-178.9-167.80000115.2F646 N650F646-S648 VanDerWaalsContact C-N 3.28Å; F646-S648 PolarHBondContact O-N 3.02Å; S648-N650 VanDerWaalsContact C-N 3.31Å
649S41.4Very low51.6Low90 Ų90108.8 Ų108.863%0.62958%0.581SS**G310 helixtrans-78.9-11.2176.964.80000114.2D647D647-S649 PolarHBondContact O-N 2.82Å; D647-S649 VanDerWaalsContact O-N 3.14Å
650N37.2Very low49.6Very low135 Ų135108.4 Ų108.472%0.72259%0.587SS**SBendtrans-112.20.4-165.3-68.1-0.6000114.8D647 S648D647-N650 PolarHBondContact O-N 3.29Å; S648-N650 VanDerWaalsContact C-N 3.31Å
651S34.2Very low47.4Very low94 Ų94115.5 Ų115.566%0.65763%0.626SS**  trans-102.460.8-178.463.90000112.9
652V36.5Very low45.3Very low135 Ų135118 Ų11882%0.81865%0.648SS**  trans-130.650.1171.8-162.70000110.6
653V34.5Very low43.2Very low121 Ų121126 Ų12673%0.73369%0.691SS**  trans-142.7155165.9-1480000107.4
654D31.6Very low41.6Very low137 Ų137126.8 Ų126.873%0.73370%0.704SS**  trans56.588172.6-56-22.3000116.6
655N37.9Very low40.1Very low164 Ų164127.4 Ų127.488%0.87771%0.711SS**  -169.7116.199-95.9-66.7000111.3
656L37.1Very low38.8Very low171 Ų171130.4 Ų130.490%0.89574%0.738SS**  trans-89.1118.3168.1-77.4166.5000109.4
657H39.7Very low37.6Very low186 Ų186133.4 Ų133.486%0.86176%0.757SS**  trans-140.3134.9156.2-115.158.7000110.7
658Y39.9Very low36.7Very low227 Ų227139.6 Ų139.689%0.8977%0.772SS**  trans-76.1136.9166.6-93.4-122.2000108.8
659D41Very low36.4Very low166 Ų166140.1 Ų140.189%0.88878%0.775SS**  -156.8172.3123.1-137.3-26.8000112
660G36.6Very low36.6Very low55 Ų55140.7 Ų140.757%0.56778%0.779SS**  trans-62157.3-156.900000121.5
661D35.4Very low36.8Very low166 Ų166143.4 Ų143.489%0.88879%0.785SS**  trans39.9101.5143.6-58.4-13.2000119.9
662S40.5Very low37.7Very low105 Ų105142 Ų14273%0.73477%0.772SS**  trans-163.7131.2131.337.80000112.9V664S662-V664 PolarHBondContact O-N 3.26Å
663D34.4Very low39.1Very low178 Ų178137.2 Ų137.295%0.95275%0.745SS**  trans-72.187.1172.1-76.9-58.7000110.9
664V38.9Very low41.3Very low116 Ų116131.8 Ų131.870%0.70371%0.711SS**  trans-120.3119.4171-174.50000110.3S662 C666S662-V664 PolarHBondContact O-N 3.26Å; V664-C666 PolarHBondContact O-N 3.12Å; V664-C666 VanDerWaalsContact O-N 3.16Å
665V32.9Very low43.5Very low118 Ų118126.4 Ų126.472%0.71568%0.683SS**  trans-47.8116.7179.6177.40000111.3N667V665-N667 PolarHBondContact O-N 3.34Å
666C32.9Very low45.4Very low129 Ų129123.3 Ų123.387%0.87267%0.667SS**  trans-61.493.9170.8-710000110.3V664 R668V664-C666 PolarHBondContact O-N 3.12Å; V664-C666 VanDerWaalsContact O-N 3.16Å; C666-R668 PolarHBondContact O-N 3.14Å
667N30.8Very low47.5Very low125 Ų125116.9 Ų116.967%0.66863%0.633SS**  trans-57.5126.2-174.9-95.5-33.2000111.5V665 S669V665-N667 PolarHBondContact O-N 3.34Å; N667-S669 PolarHBondContact O-N 3.15Å
668R31.9Very low49.7Very low244 Ų244111.4 Ų111.492%0.92161%0.614SS**THydrogen-bonded Turntrans-72.93.7-172.3-142-178-161.6-165.45.7114.1C666C666-R668 PolarHBondContact O-N 3.14Å
669S40.3Very low51.7Low80 Ų80104.6 Ų104.656%0.55959%0.593SS**THydrogen-bonded Turntrans-84.2-18-169.451.70000114.9N667 K671N667-S669 PolarHBondContact O-N 3.15Å; S669-K671 PolarHBondContact O-N 2.87Å
670S43.8Very low53.9Low102 Ų102101.5 Ų101.571%0.71358%0.58SS**THydrogen-bonded Turntrans-76.418.3-172.6-44.10000115.4
671K43Very low56.3Low193 Ų193103 Ų10384%0.83957%0.572SS**THydrogen-bonded Turntrans-117.1-9.5-174.5-105.9-171.3176.5-1730115.6S669S669-K671 PolarHBondContact O-N 2.87Å
672T52.8Low58.9Low63 Ų6396 Ų9639%0.38753%0.534SS..  trans-95.7-5.4-174.255.10000114.8E631 W674E631-T672 PolarHBondContact OE2-OG1 2.93Å; E631-T672 VanDerWaalsContact OE2-OG1 3.09Å; T672-W674 PolarHBondContact O-N 3.03Å
673S66Low61.2Low35 Ų3592.5 Ų92.525%0.24551%0.507CS..  trans-65.6107.5-178.962.30000110.7E631 T675 N676E631-S673 VanDerWaalsContact OE1-CA 3.32Å; E631-S673 WeakPolarHBondContact OE1-CA 3.28Å; S673-T675 WeakPolarHBondContact CB-OG1 3.31Å; S673-T675 PolarHBondContact O-N 3.44Å; S673-T675 PolarHBondContact O-OG1 2.86Å; S673-T675 PolarHBondContact OG-OG1 3.37Å; S673-N676 WeakPolarHBondContact O-CB 3.34Å; S673-N676 PolarHBondContact O-N 2.68Å; S673-N676 PolarHBondContact OG-ND2 2.86Å
674W80.2Confident63.9Low7 Ų788.1 Ų88.13%0.02748%0.483CS..G310 helixtrans-55.8-16.4179.668.2-87.2000113.7V627 L632 S635 F636 F640 T672 N676 L677 L685V627-W674 HydrophobicContact CG1-CB 3.94Å; V627-W674 HydrophobicContact CG2-CB 4.23Å; L632-W674 HydrophobicContact CD1-CD2 3.47Å; L632-W674 VanDerWaalsContact CD1-CD2 3.47Å; L632-W674 VanDerWaalsContact CD1-CE2 3.4Å; L632-W674 HydrophobicContact CD1-CE3 4.01Å; L632-W674 HydrophobicContact CD1-CG 3.71Å; L632-W674 HydrophobicContact CD1-CH2 4.33Å; L632-W674 HydrophobicContact CD1-CZ2 3.88Å; L632-W674 HydrophobicContact CD1-CZ3 4.4Å; S635-W674 VanDerWaalsContact OG-CZ2 3.25Å; S635-W674 WeakPolarHBondContact OG-CZ2 3.07Å; S635-W674 PolarHBondContact OG-NE1 3.43Å; S635-W674 VanDerWaalsContact OG-NE1 3.1Å; F636-W674 HydrophobicContact CE1-CH2 4.35Å; F636-W674 HydrophobicContact CE2-CH2 4.37Å; F636-W674 HydrophobicContact CE2-CZ2 4.25Å; F636-W674 AromaticContact CZ-CH2 3.67Å; F636-W674 HydrophobicContact CZ-CH2 3.67Å; F636-W674 AromaticContact CZ-CZ2 3.92Å; F636-W674 HydrophobicContact CZ-CZ2 3.92Å; F640-W674 HydrophobicContact CD1-CH2 4.23Å; F640-W674 HydrophobicContact CD2-CZ2 4.39Å; F640-W674 AromaticContact CE1-CH2 3.43Å; F640-W674 HydrophobicContact CE1-CH2 3.43Å; F640-W674 VanDerWaalsContact CE1-CH2 3.43Å; F640-W674 AromaticContact CE1-CZ2 4Å; F640-W674 HydrophobicContact CE1-CZ2 4Å; F640-W674 HydrophobicContact CE1-CZ3 4.42Å; F640-W674 HydrophobicContact CE2-CH2 4.02Å; F640-W674 AromaticContact CE2-CZ2 3.71Å; F640-W674 HydrophobicContact CE2-CZ2 3.71Å; F640-W674 AromaticContact CZ-CH2 3.29Å; F640-W674 HydrophobicContact CZ-CH2 3.29Å; F640-W674 AromaticContact CZ-CZ2 3.47Å; F640-W674 HydrophobicContact CZ-CZ2 3.47Å; F640-W674 VanDerWaalsContact CZ-CZ2 3.47Å; F640-W674 HydrophobicContact CZ-CZ3 4.31Å; T672-W674 PolarHBondContact O-N 3.03Å; W674-N676 PolarHBondContact O-N 3.34Å; W674-N676 VanDerWaalsContact O-N 3.17Å; W674-L677 HydrophobicContact CB-CD1 4.08Å; W674-L677 WeakPolarHBondContact O-CB 3.33Å; W674-L677 WeakPolarHBondContact O-CG 3.39Å; W674-L677 PolarHBondContact O-N 3.22Å; W674-L677 VanDerWaalsContact O-N 3.12Å; W674-L685 HydrophobicContact CB-CD2 4.32Å; W674-L685 HydrophobicContact CD2-CD2 4.23Å; W674-L685 HydrophobicContact CE3-CD2 3.74Å; W674-L685 HydrophobicContact CG-CD2 4.5Å; W674-L685 HydrophobicContact CZ3-CD2 4.38Å
675T76.9Confident66.5Low24 Ų2482.6 Ų82.615%0.14745%0.449CS..G310 helixtrans-56.3-18.1166.856.40000113.9H645 S673 K682H645-T675 HydrophobicContact CB-CG2 4.02Å; H645-T675 WeakPolarHBondContact ND1-CG2 3.49Å; S673-T675 WeakPolarHBondContact CB-OG1 3.31Å; S673-T675 PolarHBondContact O-N 3.44Å; S673-T675 PolarHBondContact O-OG1 2.86Å; S673-T675 PolarHBondContact OG-OG1 3.37Å; T675-K682 WeakPolarHBondContact O-CE 3.47Å; T675-K682 PolarHBondContact O-NZ 3.04Å
676N77.8Confident69.3Low99 Ų9977 Ų7753%0.52942%0.415SS..G310 helixtrans-93.8-5.2177.8-63.8-21.7000113.8S673 W674S673-N676 WeakPolarHBondContact O-CB 3.34Å; S673-N676 PolarHBondContact O-N 2.68Å; S673-N676 PolarHBondContact OG-ND2 2.86Å; W674-N676 PolarHBondContact O-N 3.34Å; W674-N676 VanDerWaalsContact O-N 3.17Å
677L82.8Confident72.2Confident37 Ų3771 Ų7119%0.19438%0.376CS..SBendtrans-67.6151.7179.7-63.9175.8000112.3V627 W674 E681 K682 L685V627-L677 HydrophobicContact CG2-CD1 3.78Å; W674-L677 HydrophobicContact CB-CD1 4.08Å; W674-L677 WeakPolarHBondContact O-CB 3.33Å; W674-L677 WeakPolarHBondContact O-CG 3.39Å; W674-L677 PolarHBondContact O-N 3.22Å; W674-L677 VanDerWaalsContact O-N 3.12Å; L677-E681 HydrophobicContact CB-CB 4.31Å; L677-K682 HydrophobicContact CB-CG 4.15Å; L677-K682 WeakPolarHBondContact O-CD 3.36Å; L677-K682 WeakPolarHBondContact O-CE 3.26Å; L677-K682 PolarHBondContact O-NZ 2.99Å; L677-L685 HydrophobicContact CD1-CD2 4.46Å
678P84.9Confident75.2Confident71 Ų7165.9 Ų65.946%0.46135%0.347SS..  trans-61.4151.217327.5-35.4000111.5T680 E681 K682P678-T680 VanDerWaalsContact C-N 3.27Å; P678-T680 PolarHBondContact O-N 3.1Å; P678-T680 VanDerWaalsContact O-N 3.14Å; P678-E681 WeakPolarHBondContact CD-OE2 3.47Å; P678-E681 HydrophobicContact CG-CB 4.13Å; P678-E681 HydrophobicContact CG-CG 3.99Å; P678-E681 WeakPolarHBondContact CG-OE1 3.39Å; P678-E681 PolarHBondContact O-N 3.01Å; P678-K682 PolarHBondContact O-N 2.94Å; P678-K682 VanDerWaalsContact O-N 3.07Å
679L83.2Confident78.1Confident83 Ų8354.2 Ų54.244%0.43530%0.303SS..Hα-helixtrans-54.2-39.4-172.5178.356.6000113.7F646 E681 K682 I683F646-L679 HydrophobicContact CE1-CD1 3.56Å; F646-L679 HydrophobicContact CE1-CD2 3.91Å; F646-L679 HydrophobicContact CE1-CG 4.33Å; F646-L679 HydrophobicContact CE2-CD1 4.4Å; F646-L679 HydrophobicContact CZ-CD1 3.39Å; L679-E681 VanDerWaalsContact C-N 3.31Å; L679-E681 PolarHBondContact O-N 2.84Å; L679-K682 PolarHBondContact O-N 2.96Å; L679-I683 HydrophobicContact CD1-CD1 3.81Å; L679-I683 HydrophobicContact CD1-CG1 4.07Å; L679-I683 HydrophobicContact CG-CD1 3.76Å; L679-I683 HydrophobicContact CG-CG1 4.46Å; L679-I683 WeakPolarHBondContact O-CD1 3.4Å; L679-I683 VanDerWaalsContact O-CG1 3.29Å; L679-I683 WeakPolarHBondContact O-CG1 3.12Å; L679-I683 PolarHBondContact O-N 3.01Å
680T86.2Confident80.7Confident101 Ų10151.1 Ų51.162%0.6228%0.28SS*.Hα-helixtrans-60.8-39.8177.9-47.40000112.2P678 N684P678-T680 VanDerWaalsContact C-N 3.27Å; P678-T680 PolarHBondContact O-N 3.1Å; P678-T680 VanDerWaalsContact O-N 3.14Å; T680-N684 WeakPolarHBondContact O-CB 3.42Å; T680-N684 VanDerWaalsContact O-CG 3.25Å; T680-N684 PolarHBondContact O-N 3.49Å; T680-N684 PolarHBondContact O-ND2 3.37Å
681E87.7Confident83Confident87 Ų8749.5 Ų49.541%0.40726%0.258SS..Hα-helixtrans-73.5-41.4177.6-73.5166.9-149.500111.3L677 P678 L679 I683 N684 L685L677-E681 HydrophobicContact CB-CB 4.31Å; P678-E681 WeakPolarHBondContact CD-OE2 3.47Å; P678-E681 HydrophobicContact CG-CB 4.13Å; P678-E681 HydrophobicContact CG-CG 3.99Å; P678-E681 WeakPolarHBondContact CG-OE1 3.39Å; P678-E681 PolarHBondContact O-N 3.01Å; L679-E681 VanDerWaalsContact C-N 3.31Å; L679-E681 PolarHBondContact O-N 2.84Å; E681-I683 VanDerWaalsContact C-N 3.31Å; E681-I683 PolarHBondContact O-N 3.38Å; E681-N684 PolarHBondContact O-N 3.08Å; E681-L685 VanDerWaalsContact O-CB 3.28Å; E681-L685 WeakPolarHBondContact O-CB 3.31Å; E681-L685 PolarHBondContact O-N 2.84Å
682K88.3Confident85.3Confident20 Ų2042 Ų429%0.08723%0.225CC..Hα-helixtrans-54.8-45.5170.5-71.3173.6171.7162.30111.8H645 T675 L677 P678 L679 L685 I686H645-K682 PolarHBondContact O-NZ 2.87Å; T675-K682 WeakPolarHBondContact O-CE 3.47Å; T675-K682 PolarHBondContact O-NZ 3.04Å; L677-K682 HydrophobicContact CB-CG 4.15Å; L677-K682 WeakPolarHBondContact O-CD 3.36Å; L677-K682 WeakPolarHBondContact O-CE 3.26Å; L677-K682 PolarHBondContact O-NZ 2.99Å; P678-K682 PolarHBondContact O-N 2.94Å; P678-K682 VanDerWaalsContact O-N 3.07Å; L679-K682 PolarHBondContact O-N 2.96Å; K682-L685 WeakPolarHBondContact O-CB 3.33Å; K682-L685 PolarHBondContact O-N 3.44Å; K682-I686 VanDerWaalsContact O-CG1 3.32Å; K682-I686 WeakPolarHBondContact O-CG1 3.48Å; K682-I686 PolarHBondContact O-N 3.39Å
683I90.2Very high87.2Confident31 Ų3139.2 Ų39.216%0.15921%0.207CC..Hα-helixtrans-64.3-43.9177.4-70.1162.2000111.1P560 T561 I596 L679 E681 L685 I686 A687P560-I683 HydrophobicContact CG-CG2 4.31Å; T561-I683 HydrophobicContact CG2-CD1 3.95Å; T561-I683 HydrophobicContact CG2-CG1 4.44Å; T561-I683 HydrophobicContact CG2-CG2 3.74Å; I596-I683 HydrophobicContact CD1-CG2 4.43Å; I596-I683 HydrophobicContact CG2-CG1 4.25Å; I596-I683 HydrophobicContact CG2-CG2 4.5Å; L679-I683 HydrophobicContact CD1-CD1 3.81Å; L679-I683 HydrophobicContact CD1-CG1 4.07Å; L679-I683 HydrophobicContact CG-CD1 3.76Å; L679-I683 HydrophobicContact CG-CG1 4.46Å; L679-I683 WeakPolarHBondContact O-CD1 3.4Å; L679-I683 VanDerWaalsContact O-CG1 3.29Å; L679-I683 WeakPolarHBondContact O-CG1 3.12Å; L679-I683 PolarHBondContact O-N 3.01Å; E681-I683 VanDerWaalsContact C-N 3.31Å; E681-I683 PolarHBondContact O-N 3.38Å; I683-L685 VanDerWaalsContact C-N 3.32Å; I683-L685 PolarHBondContact O-N 3.05Å; I683-I686 PolarHBondContact O-N 3.03Å; I683-A687 VanDerWaalsContact O-CB 3.28Å; I683-A687 WeakPolarHBondContact O-CB 3.2Å; I683-A687 PolarHBondContact O-N 2.92Å
684N91.1Very high88.5Confident85 Ų8537.6 Ų37.646%0.45520%0.196SC..Hα-helixtrans-62.9-37.9176.1-74.8-27.9000112.2T680 E681 A687 W688T680-N684 WeakPolarHBondContact O-CB 3.42Å; T680-N684 VanDerWaalsContact O-CG 3.25Å; T680-N684 PolarHBondContact O-N 3.49Å; T680-N684 PolarHBondContact O-ND2 3.37Å; E681-N684 PolarHBondContact O-N 3.08Å; N684-A687 PolarHBondContact O-N 2.8Å; N684-W688 VanDerWaalsContact O-CB 3.28Å; N684-W688 WeakPolarHBondContact O-CB 3.4Å; N684-W688 PolarHBondContact O-N 3.22Å
685L92.1Very high89.1Confident0 Ų037.4 Ų37.40%020%0.195CC..Hα-helixtrans-65.4-50.3177.3-17065.6000111.5F620 F624 L632 W674 L677 E681 K682 I683 A687 W688 L689F620-L685 HydrophobicContact CE2-CD1 3.66Å; F620-L685 HydrophobicContact CZ-CD1 3.91Å; F624-L685 HydrophobicContact CD1-CD1 4.01Å; F624-L685 HydrophobicContact CD2-CD1 3.52Å; F624-L685 HydrophobicContact CE1-CB 4.27Å; F624-L685 HydrophobicContact CE1-CD1 4Å; F624-L685 HydrophobicContact CE2-CD1 3.51Å; F624-L685 HydrophobicContact CG-CD1 3.78Å; F624-L685 HydrophobicContact CZ-CB 4.14Å; F624-L685 HydrophobicContact CZ-CD1 3.77Å; L632-L685 HydrophobicContact CD1-CD2 3.75Å; L632-L685 HydrophobicContact CD1-CG 4.37Å; L632-L685 HydrophobicContact CD2-CD1 3.73Å; L632-L685 HydrophobicContact CD2-CD2 4Å; L632-L685 HydrophobicContact CD2-CG 3.99Å; W674-L685 HydrophobicContact CB-CD2 4.32Å; W674-L685 HydrophobicContact CD2-CD2 4.23Å; W674-L685 HydrophobicContact CE3-CD2 3.74Å; W674-L685 HydrophobicContact CG-CD2 4.5Å; W674-L685 HydrophobicContact CZ3-CD2 4.38Å; L677-L685 HydrophobicContact CD1-CD2 4.46Å; E681-L685 VanDerWaalsContact O-CB 3.28Å; E681-L685 WeakPolarHBondContact O-CB 3.31Å; E681-L685 PolarHBondContact O-N 2.84Å; K682-L685 WeakPolarHBondContact O-CB 3.33Å; K682-L685 PolarHBondContact O-N 3.44Å; I683-L685 VanDerWaalsContact C-N 3.32Å; I683-L685 PolarHBondContact O-N 3.05Å; L685-A687 VanDerWaalsContact C-N 3.34Å; L685-A687 PolarHBondContact O-N 2.81Å; L685-W688 WeakPolarHBondContact O-CB 3.28Å; L685-W688 PolarHBondContact O-N 3.3Å; L685-W688 VanDerWaalsContact O-N 3.12Å; L685-L689 WeakPolarHBondContact O-CG 3.33Å; L685-L689 PolarHBondContact O-N 3.22Å
686I92.5Very high89.9Confident0 Ų036.7 Ų36.70%019%0.19CC..Hα-helixtrans-60-43.9174.2-63.2-68.4000110.7I596 Y602 F636 L642 K682 I683 W688 L689 L690 I695I596-I686 HydrophobicContact CD1-CB 4.24Å; I596-I686 HydrophobicContact CD1-CG2 3.84Å; I596-I686 HydrophobicContact CG1-CG2 4.29Å; I596-I686 HydrophobicContact CG2-CB 4.49Å; I596-I686 HydrophobicContact CG2-CG2 4.17Å; Y602-I686 HydrophobicContact CD1-CG2 4.19Å; Y602-I686 HydrophobicContact CE1-CG2 3.6Å; Y602-I686 HydrophobicContact CE2-CG2 4.42Å; F636-I686 HydrophobicContact CE1-CD1 3.88Å; F636-I686 HydrophobicContact CZ-CD1 3.51Å; L642-I686 HydrophobicContact CD1-CG1 4.33Å; L642-I686 HydrophobicContact CD2-CD1 4.22Å; L642-I686 HydrophobicContact CD2-CG1 4.06Å; K682-I686 VanDerWaalsContact O-CG1 3.32Å; K682-I686 WeakPolarHBondContact O-CG1 3.48Å; K682-I686 PolarHBondContact O-N 3.39Å; I683-I686 PolarHBondContact O-N 3.03Å; I686-W688 VanDerWaalsContact C-N 3.29Å; I686-W688 PolarHBondContact O-N 2.99Å; I686-L689 PolarHBondContact O-N 2.9Å; I686-L690 HydrophobicContact CG2-CD1 3.8Å; I686-L690 HydrophobicContact CG2-CG 4.26Å; I686-L690 WeakPolarHBondContact O-CB 3.34Å; I686-L690 VanDerWaalsContact O-CG 3.32Å; I686-L690 WeakPolarHBondContact O-CG 3.22Å; I686-L690 PolarHBondContact O-N 2.9Å; I686-I695 HydrophobicContact CD1-CD1 4.05Å; I686-I695 HydrophobicContact CG2-CD1 4.21Å
687A93.3Very high90.7Very high5 Ų532.2 Ų32.24%0.04117%0.166CC..Hα-helixtrans-65.4-30176.200000113.1I530 P560 I596 I683 N684 L685 R691I530-A687 HydrophobicContact CD1-CB 4.24Å; P560-A687 HydrophobicContact CB-CB 4.38Å; P560-A687 HydrophobicContact CG-CB 4.32Å; I596-A687 HydrophobicContact CD1-CB 3.87Å; I683-A687 VanDerWaalsContact O-CB 3.28Å; I683-A687 WeakPolarHBondContact O-CB 3.2Å; I683-A687 PolarHBondContact O-N 2.92Å; N684-A687 PolarHBondContact O-N 2.8Å; L685-A687 VanDerWaalsContact C-N 3.34Å; L685-A687 PolarHBondContact O-N 2.81Å; A687-R691 WeakPolarHBondContact O-CB 3.4Å; A687-R691 PolarHBondContact O-N 3.34Å; A687-R691 PolarHBondContact O-NH1 3.46Å
688W93.7Very high91.1Very high16 Ų1631.4 Ų31.46%0.06116%0.162CC..Hα-helixtrans-70.4-42174.3-173.1113.7000111.3L616 Q619 F620 S623 F624 F629 N684 L685 I686 R692 L694L616-W688 HydrophobicContact CG-CH2 4.2Å; Q619-W688 HydrophobicContact CB-CZ2 4.36Å; F620-W688 HydrophobicContact CB-CH2 3.67Å; F620-W688 HydrophobicContact CB-CZ2 3.78Å; F620-W688 HydrophobicContact CD2-CD2 4.36Å; F620-W688 HydrophobicContact CD2-CE3 4.01Å; F620-W688 AromaticContact CD2-CH2 3.61Å; F620-W688 HydrophobicContact CD2-CH2 3.61Å; F620-W688 AromaticContact CD2-CZ2 3.91Å; F620-W688 HydrophobicContact CD2-CZ2 3.91Å; F620-W688 AromaticContact CD2-CZ3 3.65Å; F620-W688 HydrophobicContact CD2-CZ3 3.65Å; F620-W688 HydrophobicContact CE2-CZ3 4.45Å; F620-W688 HydrophobicContact CG-CH2 4.14Å; F620-W688 HydrophobicContact CG-CZ2 4.34Å; S623-W688 PolarHBondContact OG-NE1 2.91Å; F624-W688 HydrophobicContact CE2-CB 3.89Å; F624-W688 AromaticContact CE2-CD1 3.58Å; F624-W688 HydrophobicContact CE2-CD2 4.18Å; F624-W688 AromaticContact CE2-CG 3.67Å; F624-W688 HydrophobicContact CE2-CG 3.67Å; F624-W688 HydrophobicContact CZ-CB 4.24Å; F624-W688 HydrophobicContact CZ-CG 4.42Å; F629-W688 HydrophobicContact CE2-CH2 4.42Å; F629-W688 HydrophobicContact CE2-CZ3 4.05Å; F629-W688 HydrophobicContact CZ-CZ3 4.43Å; N684-W688 VanDerWaalsContact O-CB 3.28Å; N684-W688 WeakPolarHBondContact O-CB 3.4Å; N684-W688 PolarHBondContact O-N 3.22Å; L685-W688 WeakPolarHBondContact O-CB 3.28Å; L685-W688 PolarHBondContact O-N 3.3Å; L685-W688 VanDerWaalsContact O-N 3.12Å; I686-W688 VanDerWaalsContact C-N 3.29Å; I686-W688 PolarHBondContact O-N 2.99Å; W688-R692 VanDerWaalsContact CD1-NH1 3.32Å; W688-R692 VanDerWaalsContact CD2-NH1 3.34Å; W688-R692 VanDerWaalsContact CZ2-CZ 3.45Å; W688-R692 VanDerWaalsContact CZ2-NE 3.34Å; W688-R692 VanDerWaalsContact NE1-NH1 3.17Å; W688-R692 PolarHBondContact O-N 3.1Å; W688-L694 HydrophobicContact CZ3-CD1 4.05Å
689L93.6Very high91.4Very high0 Ų028.7 Ų28.70%014%0.143CC..Hα-helixtrans-69.5-45.9178-67.2170.4000112.3F629 L632 L633 F636 L685 I686 R692 R693 L694 I695F629-L689 HydrophobicContact CE2-CD2 4.25Å; L632-L689 HydrophobicContact CD1-CD1 4.43Å; L632-L689 HydrophobicContact CD2-CD1 4.14Å; L632-L689 HydrophobicContact CD2-CD2 4.34Å; L632-L689 HydrophobicContact CG-CD1 4.29Å; L633-L689 HydrophobicContact CD2-CD2 4.2Å; F636-L689 HydrophobicContact CD2-CD1 4.18Å; F636-L689 HydrophobicContact CE2-CD1 3.46Å; F636-L689 VanDerWaalsContact CE2-CD1 3.46Å; F636-L689 HydrophobicContact CZ-CD1 4.04Å; L685-L689 WeakPolarHBondContact O-CG 3.33Å; L685-L689 PolarHBondContact O-N 3.22Å; I686-L689 PolarHBondContact O-N 2.9Å; L689-R692 CarbonylContact O-C 3.57Å; L689-R692 PolarHBondContact O-N 3.39Å; L689-R692 VanDerWaalsContact O-N 3.14Å; L689-R693 PolarHBondContact O-N 3.08Å; L689-L694 HydrophobicContact CD2-CB 4.34Å; L689-L694 HydrophobicContact CD2-CD1 3.92Å; L689-L694 PolarHBondContact O-N 3.3Å; L689-I695 HydrophobicContact CB-CD1 3.64Å; L689-I695 HydrophobicContact CB-CG1 3.76Å; L689-I695 HydrophobicContact CB-CG2 4.41Å; L689-I695 HydrophobicContact CD1-CD1 3.96Å; L689-I695 HydrophobicContact CD1-CG2 4.41Å; L689-I695 HydrophobicContact CG-CD1 4.47Å
690L94.2Very high91.8Very high15 Ų1526.9 Ų26.98%0.07913%0.133CC..Hα-helixtrans-59.9-45.9175.4-73.5168.6000111.6I530 V593 I596 Y602 I686 R692 R693 I695 Q697I530-L690 HydrophobicContact CD1-CB 3.81Å; I530-L690 HydrophobicContact CD1-CD1 3.8Å; I530-L690 HydrophobicContact CD1-CG 4.49Å; V593-L690 HydrophobicContact CG1-CD1 4.43Å; I596-L690 HydrophobicContact CD1-CD1 4.09Å; I596-L690 HydrophobicContact CG1-CD1 4.29Å; Y602-L690 HydrophobicContact CD1-CD2 4.39Å; Y602-L690 HydrophobicContact CE1-CD1 4.13Å; Y602-L690 HydrophobicContact CE1-CD2 4.27Å; I686-L690 HydrophobicContact CG2-CD1 3.8Å; I686-L690 HydrophobicContact CG2-CG 4.26Å; I686-L690 WeakPolarHBondContact O-CB 3.34Å; I686-L690 VanDerWaalsContact O-CG 3.32Å; I686-L690 WeakPolarHBondContact O-CG 3.22Å; I686-L690 PolarHBondContact O-N 2.9Å; L690-R692 PolarHBondContact O-N 3.13Å; L690-R692 VanDerWaalsContact O-N 3.16Å; L690-R693 PolarHBondContact O-N 2.93Å; L690-I695 HydrophobicContact CD2-CD1 4.43Å; L690-I695 HydrophobicContact CD2-CG1 3.9Å; L690-I695 HydrophobicContact CG-CD1 4.25Å; L690-I695 HydrophobicContact CG-CG1 4.07Å; L690-Q697 HydrophobicContact CD2-CG 4.12Å
691R93.3Very high92Very high67 Ų6723.5 Ų23.525%0.25311%0.11SC..Hα-helixtrans-56.9-30176180-177.9-73.9102.7-10.4112.9I530 L531 L532 A687I530-R691 HydrophobicContact CG2-CB 4.14Å; L531-R691 VanDerWaalsContact O-CZ 3.25Å; L531-R691 PolarHBondContact O-NE 2.73Å; L531-R691 PolarHBondContact O-NH2 3.18Å; L532-R691 HydrophobicContact CD2-CG 4.24Å; L532-R691 WeakPolarHBondContact O-CD 3.48Å; L532-R691 PolarHBondContact O-NE 3.36Å; A687-R691 WeakPolarHBondContact O-CB 3.4Å; A687-R691 PolarHBondContact O-N 3.34Å; A687-R691 PolarHBondContact O-NH1 3.46Å
692R91.5Very high92.2Very high37 Ų3719.3 Ų19.314%0.149%0.09CC..THydrogen-bonded Turntrans-98.86.3178.4-73.4168.7168.588-2113.6L498 L616 W688 L689 L690 L694L498-R692 HydrophobicContact CD1-CB 4.41Å; L616-R692 HydrophobicContact CD1-CG 4.04Å; W688-R692 VanDerWaalsContact CD1-NH1 3.32Å; W688-R692 VanDerWaalsContact CD2-NH1 3.34Å; W688-R692 VanDerWaalsContact CZ2-CZ 3.45Å; W688-R692 VanDerWaalsContact CZ2-NE 3.34Å; W688-R692 VanDerWaalsContact NE1-NH1 3.17Å; W688-R692 PolarHBondContact O-N 3.1Å; L689-R692 CarbonylContact O-C 3.57Å; L689-R692 PolarHBondContact O-N 3.39Å; L689-R692 VanDerWaalsContact O-N 3.14Å; L690-R692 PolarHBondContact O-N 3.13Å; L690-R692 VanDerWaalsContact O-N 3.16Å; R692-L694 HydrophobicContact CB-CD1 4.3Å; R692-L694 HydrophobicContact CB-CG 4.08Å; R692-L694 PolarHBondContact O-N 3.13Å; R692-L694 VanDerWaalsContact O-N 3.08Å
693R92.5Very high92.2Very high4 Ų420.3 Ų20.32%0.0159%0.094CC..THydrogen-bonded Turntrans57.124.6174.9-54.9163.1174.2116.4-3.4114Y496 A605 W611 L689 L690 F869 A870Y496-R693 PolarHBondContact O-NH1 3.05Å; Y496-R693 PolarHBondContact O-NH2 3.05Å; A605-R693 WeakPolarHBondContact CB-O 3.38Å; W611-R693 HydrophobicContact CD2-CB 4.22Å; W611-R693 HydrophobicContact CG-CB 3.87Å; L689-R693 PolarHBondContact O-N 3.08Å; L690-R693 PolarHBondContact O-N 2.93Å; R693-F869 WeakPolarHBondContact CD-O 3.5Å; R693-F869 PolarHBondContact NE-O 3.17Å; R693-A870 HydrophobicContact CB-CB 4.07Å; R693-A870 HydrophobicContact CG-CB 4.43Å
694L92.3Very high92Very high1 Ų121.2 Ų21.21%0.00510%0.103CC..SBendtrans-78.5-29.5176.8-61178.8000111L604 A605 F612 L616 F629 L633 W688 L689 R692L604-L694 WeakPolarHBondContact CA-O 3.49Å; L604-L694 WeakPolarHBondContact CD1-O 3.34Å; A605-L694 PolarHBondContact N-O 3.44Å; F612-L694 HydrophobicContact CD2-CD2 4.44Å; L616-L694 HydrophobicContact CD2-CD1 3.93Å; L616-L694 HydrophobicContact CD2-CD2 4.04Å; L616-L694 HydrophobicContact CD2-CG 4.37Å; F629-L694 HydrophobicContact CE2-CD1 4.08Å; F629-L694 HydrophobicContact CZ-CD1 3.78Å; L633-L694 HydrophobicContact CD2-CB 4.27Å; L633-L694 HydrophobicContact CD2-CD1 4.33Å; W688-L694 HydrophobicContact CZ3-CD1 4.05Å; L689-L694 HydrophobicContact CD2-CB 4.34Å; L689-L694 HydrophobicContact CD2-CD1 3.92Å; L689-L694 PolarHBondContact O-N 3.3Å; R692-L694 HydrophobicContact CB-CD1 4.3Å; R692-L694 HydrophobicContact CB-CG 4.08Å; R692-L694 PolarHBondContact O-N 3.13Å; R692-L694 VanDerWaalsContact O-N 3.08Å
695I93.8Very high91.5Very high3 Ų319.8 Ų19.82%0.01510%0.097CC..EExtended strand (participates in β ladder)trans-126.3160174.169.4-180000110.5Y602 I603 F636 I686 L689 L690Y602-I695 HydrophobicContact CD1-CD1 3.87Å; Y602-I695 HydrophobicContact CD1-CG1 4.44Å; Y602-I695 HydrophobicContact CG-CD1 4.36Å; I603-I695 CarbonylContact O-C 3.41Å; I603-I695 WeakPolarHBondContact O-CA 3.25Å; I603-I695 WeakPolarHBondContact O-CB 3.33Å; F636-I695 HydrophobicContact CB-CG2 3.94Å; F636-I695 HydrophobicContact CD1-CG2 4.2Å; F636-I695 HydrophobicContact CD2-CG2 3.82Å; F636-I695 HydrophobicContact CE1-CD1 4.39Å; F636-I695 HydrophobicContact CE2-CG2 4.41Å; F636-I695 HydrophobicContact CG-CG2 3.72Å; F636-I695 HydrophobicContact CZ-CD1 4.42Å; I686-I695 HydrophobicContact CD1-CD1 4.05Å; I686-I695 HydrophobicContact CG2-CD1 4.21Å; L689-I695 HydrophobicContact CB-CD1 3.64Å; L689-I695 HydrophobicContact CB-CG1 3.76Å; L689-I695 HydrophobicContact CB-CG2 4.41Å; L689-I695 HydrophobicContact CD1-CD1 3.96Å; L689-I695 HydrophobicContact CD1-CG2 4.41Å; L689-I695 HydrophobicContact CG-CD1 4.47Å; L690-I695 HydrophobicContact CD2-CD1 4.43Å; L690-I695 HydrophobicContact CD2-CG1 3.9Å; L690-I695 HydrophobicContact CG-CD1 4.25Å; L690-I695 HydrophobicContact CG-CG1 4.07Å
696I93.8Very high90.4Very high9 Ų921.9 Ų21.95%0.04611%0.106CC..EExtended strand (participates in β ladder)trans-127164175.257.1-178.3000110.6Y602 I603 A605 I698 P862 A870 I872Y602-I696 WeakPolarHBondContact CA-O 3.47Å; I603-I696 HydrophobicContact CG2-CD1 3.88Å; I603-I696 HydrophobicContact CG2-CG1 3.62Å; I603-I696 PolarHBondContact N-O 2.9Å; I603-I696 PolarHBondContact O-N 2.65Å; A605-I696 HydrophobicContact CB-CG2 3.94Å; I696-I698 HydrophobicContact CD1-CD1 3.84Å; I696-I698 HydrophobicContact CG1-CD1 3.97Å; I696-P862 HydrophobicContact CD1-CB 4.2Å; I696-A870 HydrophobicContact CG2-CB 3.47Å; I696-A870 VanDerWaalsContact CG2-CB 3.47Å; I696-I872 HydrophobicContact CD1-CD1 3.34Å; I696-I872 HydrophobicContact CG2-CD1 4.44Å
697Q93.5Very high88.2Confident4 Ų429.2 Ų29.22%0.01915%0.145CC..EExtended strand (participates in β ladder)trans-95.5131.6174.3-71.5174.2-48.800110.2Y594 Y602 L690 H699Y594-Q697 PolarHBondContact O-NE2 2.83Å; Y602-Q697 HydrophobicContact CD1-CG 3.88Å; Y602-Q697 HydrophobicContact CE1-CG 3.38Å; Y602-Q697 PolarHBondContact OH-NE2 3.34Å; L690-Q697 HydrophobicContact CD2-CG 4.12Å; Q697-H699 WeakPolarHBondContact CB-NE2 3.36Å
698I92.2Very high85.7Confident20 Ų2033.2 Ų33.210%0.10317%0.172CC..EExtended strand (participates in β ladder)trans-110.6135.6-179.8-55.3-60.5000110M601 I603 I696 R860 P862M601-I698 HydrophobicContact CE-CB 3.65Å; M601-I698 HydrophobicContact CE-CG1 4.29Å; M601-I698 HydrophobicContact CE-CG2 3.41Å; M601-I698 VanDerWaalsContact CE-CG2 3.41Å; M601-I698 PolarHBondContact O-N 3.22Å; I603-I698 HydrophobicContact CB-CG1 4.3Å; I603-I698 HydrophobicContact CG2-CD1 3.68Å; I603-I698 HydrophobicContact CG2-CG1 3.55Å; I696-I698 HydrophobicContact CD1-CD1 3.84Å; I696-I698 HydrophobicContact CG1-CD1 3.97Å; I698-R860 HydrophobicContact CG2-CB 3.77Å; I698-P862 HydrophobicContact CD1-CB 3.93Å
699H90.3Very high82.7Confident15 Ų1539.9 Ų39.97%0.06921%0.209CC..EExtended strand (participates in β ladder)trans-127.5146.1-162.8-77.9-71.7000111.6Y594 Q697 Y701 H830 R860 L861 D863Y594-H699 AromaticContact CD1-CE1 3.77Å; Y594-H699 AromaticContact CD2-CD2 3.99Å; Y594-H699 AromaticContact CD2-CE1 3.26Å; Y594-H699 WeakPolarHBondContact CD2-CE1 3.49Å; Y594-H699 AromaticContact CD2-NE2 3.12Å; Y594-H699 WeakPolarHBondContact CD2-NE2 3.44Å; Y594-H699 AromaticContact CE2-CD2 4Å; Y594-H699 AromaticContact CE2-CE1 3.66Å; Y594-H699 AromaticContact CE2-NE2 3.57Å; Y594-H699 AromaticContact CG-CE1 3.32Å; Y594-H699 AromaticContact CG-NE2 3.63Å; Q697-H699 WeakPolarHBondContact CB-NE2 3.36Å; H699-Y701 HydrophobicContact CB-CD2 4.39Å; H699-Y701 HydrophobicContact CB-CE2 4.01Å; H699-Y701 PolarHBondContact O-N 3.35Å; H699-H830 AromaticContact CE1-CE1 3.83Å; H699-H830 AromaticContact CG-CE1 3.71Å; H699-H830 AromaticContact CG-NE2 3.67Å; H699-H830 AromaticContact ND1-CD2 3.87Å; H699-H830 AromaticContact ND1-CE1 2.99Å; H699-H830 PolarHBondContact ND1-CE1 2.98Å; H699-H830 AromaticContact ND1-ND1 3.8Å; H699-H830 AromaticContact ND1-NE2 3.03Å; H699-H830 PolarHBondContact ND1-NE2 2.82Å; H699-R860 WeakPolarHBondContact O-CA 3.34Å; H699-L861 PolarHBondContact N-O 3.33Å; H699-L861 PolarHBondContact O-N 3.29Å; H699-D863 HydrophobicContact CB-CB 4.4Å
700L90.7Very high79.6Confident44 Ų4446.1 Ų46.123%0.2324%0.242CC..EExtended strand (participates in β ladder)trans-85.6100.6-177.3-172.369.8000110.4H830 L831 R860L700-H830 PolarHBondContact O-CD2 2.95Å; L700-L831 HydrophobicContact CB-CB 4.42Å; L700-L831 HydrophobicContact CD2-CD2 4.39Å; L700-L831 PolarHBondContact O-N 2.86Å; L700-R860 HydrophobicContact CD1-CG 4.1Å
701Y92Very high76.5Confident30 Ų3052.3 Ų52.312%0.11828%0.276CS..EExtended strand (participates in β ladder)trans-86147.6173.3-79-101.8000111.1H699 F703 A829 H830 T858 A859 L861 P864H699-Y701 HydrophobicContact CB-CD2 4.39Å; H699-Y701 HydrophobicContact CB-CE2 4.01Å; H699-Y701 PolarHBondContact O-N 3.35Å; Y701-F703 VanDerWaalsContact CB-CE2 3.49Å; Y701-A829 WeakPolarHBondContact CA-O 3.12Å; Y701-A829 VanDerWaalsContact CD1-C 3.49Å; Y701-H830 HydrophobicContact CD1-CB 4.38Å; Y701-H830 HydrophobicContact CD2-CB 4.34Å; Y701-H830 HydrophobicContact CE1-CB 4.06Å; Y701-H830 HydrophobicContact CE2-CB 4.04Å; Y701-T858 CarbonylContact O-C 3.5Å; Y701-T858 VanDerWaalsContact O-CA 3.25Å; Y701-T858 WeakPolarHBondContact O-CA 3.21Å; Y701-A859 PolarHBondContact N-O 3.28Å; Y701-A859 PolarHBondContact O-N 2.85Å; Y701-L861 HydrophobicContact CD2-CB 3.77Å; Y701-L861 HydrophobicContact CD2-CD1 4.39Å; Y701-L861 HydrophobicContact CD2-CG 4.48Å; Y701-L861 HydrophobicContact CE2-CB 4.16Å; Y701-L861 HydrophobicContact CG-CB 4.48Å; Y701-L861 HydrophobicContact CG-CD1 4.3Å; Y701-P864 VanDerWaalsContact OH-CD 3.28Å; Y701-P864 WeakPolarHBondContact OH-CD 3.43Å
702I91.1Very high73.4Confident0 Ų057.5 Ų57.50%031%0.307CS..EExtended strand (participates in β ladder)trans-118.2136.3178.3-48.4173.4000108.1L827 P828 A829 L831 L834 I849 L856 A857 T858I702-L827 HydrophobicContact CB-CD2 3.87Å; I702-L827 HydrophobicContact CG2-CD1 4.06Å; I702-L827 HydrophobicContact CG2-CD2 4.02Å; I702-P828 WeakPolarHBondContact O-CA 3.36Å; I702-A829 PolarHBondContact N-O 3.18Å; I702-A829 PolarHBondContact O-N 3.47Å; I702-L831 HydrophobicContact CD1-CD1 4.14Å; I702-L834 HydrophobicContact CD1-CD1 3.62Å; I702-L834 HydrophobicContact CG1-CD1 4.41Å; I702-I849 HydrophobicContact CD1-CD1 3.35Å; I702-I849 HydrophobicContact CD1-CG1 3.81Å; I702-I849 HydrophobicContact CG1-CD1 4.24Å; I702-L856 HydrophobicContact CG2-CB 4.27Å; I702-L856 HydrophobicContact CG2-CD1 4.44Å; I702-L856 HydrophobicContact CG2-CD2 4Å; I702-L856 HydrophobicContact CG2-CG 4.48Å; I702-A857 WeakPolarHBondContact CA-O 3.4Å; I702-T858 HydrophobicContact CG1-CG2 4.32Å
703F89.4Confident70.6Confident40 Ų4059 Ų5918%0.17532%0.322CS..EExtended strand (participates in β ladder)trans-129.4144.8-177.1-63.1-97000110Y701 F718 P828 L856 A857 A859 L861Y701-F703 VanDerWaalsContact CB-CE2 3.49Å; F703-F718 HydrophobicContact CD1-CZ 4.46Å; F703-F718 HydrophobicContact CE1-CZ 4.17Å; F703-P828 HydrophobicContact CD1-CB 3.56Å; F703-P828 HydrophobicContact CD1-CG 4.46Å; F703-P828 HydrophobicContact CE1-CB 3.53Å; F703-P828 HydrophobicContact CE1-CG 4.31Å; F703-P828 HydrophobicContact CG-CB 4.32Å; F703-P828 HydrophobicContact CZ-CB 4.28Å; F703-L856 WeakPolarHBondContact O-CA 3.4Å; F703-A857 HydrophobicContact CB-CB 4.34Å; F703-A857 PolarHBondContact N-O 2.82Å; F703-A857 PolarHBondContact O-N 3.3Å; F703-A859 HydrophobicContact CD2-CB 4.49Å; F703-A859 HydrophobicContact CE2-CB 3.95Å; F703-L861 HydrophobicContact CE2-CD1 4.04Å; F703-L861 HydrophobicContact CZ-CD1 3.66Å
704P85.4Confident67.8Low51 Ų5166.8 Ų66.833%0.33136%0.359SS..EExtended strand (participates in β ladder)trans-76.3124.1172.431.4-30.2000109.9F706 L827P704-F706 HydrophobicContact CB-CD2 3.68Å; P704-F706 HydrophobicContact CB-CE2 3.83Å; P704-F706 HydrophobicContact CB-CG 4.23Å; P704-F706 HydrophobicContact CB-CZ 4.5Å; P704-F706 PolarHBondContact O-N 2.73Å; P704-L827 HydrophobicContact CB-CD1 4.48Å; P704-L827 HydrophobicContact CG-CB 4.49Å
705T81Confident65.1Low55 Ų5571.4 Ų71.434%0.33739%0.387SS..  trans-83.134.4-179.9-34.10000112.2L707 F855 L856 A857T705-L707 HydrophobicContact CG2-CD1 4.26Å; T705-L707 PolarHBondContact O-N 2.72Å; T705-F855 PolarHBondContact N-O 2.89Å; T705-F855 PolarHBondContact OG1-O 3.05Å; T705-L856 VanDerWaalsContact OG1-C 3.28Å; T705-L856 PolarHBondContact OG1-N 2.84Å; T705-A857 PolarHBondContact OG1-N 2.84Å
706F67.8Low62.1Low44 Ų4476 Ų7619%0.19341%0.412CS..  trans-77.972-178.4-58.8-34.9000110.9P704 S708 L792 P793 L800 I804 L824 F855P704-F706 HydrophobicContact CB-CD2 3.68Å; P704-F706 HydrophobicContact CB-CE2 3.83Å; P704-F706 HydrophobicContact CB-CG 4.23Å; P704-F706 HydrophobicContact CB-CZ 4.5Å; P704-F706 PolarHBondContact O-N 2.73Å; F706-S708 VanDerWaalsContact C-N 3.34Å; F706-S708 PolarHBondContact O-N 3.43Å; F706-L792 HydrophobicContact CE1-CD2 4.48Å; F706-L792 HydrophobicContact CE2-CD2 3.91Å; F706-L792 HydrophobicContact CZ-CD2 3.68Å; F706-P793 HydrophobicContact CD2-CG 4.39Å; F706-L800 HydrophobicContact CB-CD1 4.09Å; F706-L800 HydrophobicContact CB-CD2 4.39Å; F706-L800 HydrophobicContact CD1-CD1 3.75Å; F706-L800 HydrophobicContact CD1-CD2 3.56Å; F706-L800 HydrophobicContact CD1-CG 4.27Å; F706-L800 HydrophobicContact CD2-CD1 3.9Å; F706-L800 HydrophobicContact CE1-CD1 4.1Å; F706-L800 HydrophobicContact CE1-CD2 4.1Å; F706-L800 HydrophobicContact CE2-CD1 4.25Å; F706-L800 HydrophobicContact CG-CD1 3.65Å; F706-L800 HydrophobicContact CG-CD2 4.13Å; F706-L800 HydrophobicContact CZ-CD1 4.35Å; F706-I804 HydrophobicContact CE1-CD1 4.41Å; F706-I804 HydrophobicContact CZ-CD1 4.46Å; F706-L824 HydrophobicContact CE2-CD2 3.97Å; F706-L824 HydrophobicContact CZ-CD1 4.26Å; F706-L824 HydrophobicContact CZ-CD2 3.82Å; F706-F855 HydrophobicContact CE1-CB 4.22Å; F706-F855 HydrophobicContact CE1-CD1 4.43Å
707L47.9Very low59.2Low154 Ų15481.9 Ų81.981%0.80644%0.441SS*.  trans-61.492.9170.9-78.8146.7000109.8T705 N709T705-L707 HydrophobicContact CG2-CD1 4.26Å; T705-L707 PolarHBondContact O-N 2.72Å; L707-N709 PolarHBondContact O-N 3.29Å; L707-N709 VanDerWaalsContact O-N 3.15Å
708S40.2Very low56.5Low88 Ų8888 Ų8862%0.61547%0.467SS*.  trans-62.4112.9162.9-169.30000107.4F706 N710F706-S708 VanDerWaalsContact C-N 3.34Å; F706-S708 PolarHBondContact O-N 3.43Å; S708-N710 PolarHBondContact O-N 2.91Å
709N30.5Very low53.5Low157 Ų15790.3 Ų90.384%0.8448%0.48SS*.SBendtrans-80.356.8-173.9-168.439.8000111.5L707L707-N709 PolarHBondContact O-N 3.29Å; L707-N709 VanDerWaalsContact O-N 3.15Å
710N28.2Very low50.8Low131 Ų13194 Ų9470%0.70150%0.501SS*.SBendtrans-159.3146.3171.6-88.4-49.6000109.7S708S708-N710 PolarHBondContact O-N 2.91Å
711N29Very low48.3Very low145 Ų14598.3 Ų98.378%0.77552%0.522SS*.  trans74.4104.3175.9-55.4-23.2000117.1S713N711-S713 PolarHBondContact O-N 3.38Å
712I29.2Very low45.6Very low176 Ų176101.1 Ų101.190%0.90355%0.546SS*.THydrogen-bonded Turntrans-75.994.8170.1-61.2157.7000108.5
713S32.3Very low42.8Very low67 Ų67107.8 Ų107.847%0.46958%0.575SS.*THydrogen-bonded Turntrans-157.1-39.2174.146.40000115.7N711 N716N711-S713 PolarHBondContact O-N 3.38Å; S713-N716 PolarHBondContact O-ND2 3.33Å
714E33.7Very low40.2Very low169 Ų169113.5 Ų113.579%0.7960%0.602SS**G310 helixtrans-86.3-15.1-165.1-60.7-170.516400115.1N716E714-N716 PolarHBondContact O-N 3Å; E714-N716 VanDerWaalsContact O-N 3.11Å
715T34.7Very low37.7Very low97 Ų97115.2 Ų115.260%0.59562%0.616SS**G310 helixtrans-67.7-5.7175.538.10000114.5N719T715-N719 PolarHBondContact O-ND2 3.18Å; T715-N719 VanDerWaalsContact O-ND2 3.16Å
716N30.7Very low35.3Very low99 Ų99121.3 Ų121.353%0.52964%0.64SS.*G310 helixtrans-76.2-36.8179.7-70.4-33.2000113.3S713 E714 F718 N719 D720S713-N716 PolarHBondContact O-ND2 3.33Å; E714-N716 PolarHBondContact O-N 3Å; E714-N716 VanDerWaalsContact O-N 3.11Å; N716-F718 PolarHBondContact O-N 3.46Å; N716-F718 VanDerWaalsContact O-N 3.13Å; N716-N719 WeakPolarHBondContact O-CB 3.48Å; N716-N719 PolarHBondContact O-N 3.07Å; N716-D720 PolarHBondContact O-N 3.33Å
717M33.7Very low33.3Very low133 Ų133127.6 Ų127.666%0.65568%0.676SS**Hα-helixtrans-60.6-27.7-179-82.3-174.767.900113.9
718F35.9Very low32.6Very low132 Ų132126 Ų12658%0.57967%0.672SS**Hα-helixtrans-77.9-23175.9-78.9-85.9000113.4F703 N716F703-F718 HydrophobicContact CD1-CZ 4.46Å; F703-F718 HydrophobicContact CE1-CZ 4.17Å; N716-F718 PolarHBondContact O-N 3.46Å; N716-F718 VanDerWaalsContact O-N 3.13Å
719N30.2Very low31.9Very low69 Ų69130.5 Ų130.537%0.36968%0.683SS.*Hα-helixtrans-75.3-39.1177.5-84.3-70.7000111.9T715 N716 I721 S722 K723T715-N719 PolarHBondContact O-ND2 3.18Å; T715-N719 VanDerWaalsContact O-ND2 3.16Å; N716-N719 WeakPolarHBondContact O-CB 3.48Å; N716-N719 PolarHBondContact O-N 3.07Å; N719-I721 VanDerWaalsContact C-N 3.31Å; N719-I721 PolarHBondContact O-N 3.14Å; N719-S722 CarbonylContact O-C 3.6Å; N719-S722 WeakPolarHBondContact O-CA 3.29Å; N719-S722 PolarHBondContact O-N 2.97Å; N719-K723 HydrophobicContact CB-CD 4.39Å; N719-K723 WeakPolarHBondContact O-CB 3.5Å; N719-K723 VanDerWaalsContact O-CG 3.31Å; N719-K723 WeakPolarHBondContact O-CG 3.5Å; N719-K723 PolarHBondContact O-N 3.23Å; N719-K723 VanDerWaalsContact O-N 3.11Å
720D34.2Very low31.9Very low94 Ų94128.6 Ų128.650%0.50368%0.677SS.*Hα-helixtrans-67-33.6-174.6-61.3-24.1000112.1N716 S722 K723 H724N716-D720 PolarHBondContact O-N 3.33Å; D720-S722 PolarHBondContact O-N 3.41Å; D720-K723 PolarHBondContact O-N 3.31Å; D720-H724 PolarHBondContact O-CD2 3.07Å
721I37.5Very low31.8Very low134 Ų134127 Ų12769%0.68768%0.676SS**Hα-helixtrans-65.3-27.3172.8-59.6175.8000111.7N719N719-I721 VanDerWaalsContact C-N 3.31Å; N719-I721 PolarHBondContact O-N 3.14Å
722S35.3Very low31.9Very low89 Ų89127.5 Ų127.562%0.62268%0.679SS**THydrogen-bonded Turntrans-96-1.8180-166.90000114.2N719 D720N719-S722 CarbonylContact O-C 3.6Å; N719-S722 WeakPolarHBondContact O-CA 3.29Å; N719-S722 PolarHBondContact O-N 2.97Å; D720-S722 PolarHBondContact O-N 3.41Å
723K33.2Very low31.9Very low140 Ų140125.6 Ų125.661%0.60967%0.67SS**THydrogen-bonded Turntrans-111.9-4.5-174.7-75.9176.6-179.1-179.30114.9N719 D720 S725N719-K723 HydrophobicContact CB-CD 4.39Å; N719-K723 WeakPolarHBondContact O-CB 3.5Å; N719-K723 VanDerWaalsContact O-CG 3.31Å; N719-K723 WeakPolarHBondContact O-CG 3.5Å; N719-K723 PolarHBondContact O-N 3.23Å; N719-K723 VanDerWaalsContact O-N 3.11Å; D720-K723 PolarHBondContact O-N 3.31Å; K723-S725 PolarHBondContact O-N 3.46Å
724H33.7Very low31.5Very low160 Ų160129.6 Ų129.674%0.74169%0.686SS**SBendtrans-83.627175.8-87.1-67.1000114.5D720D720-H724 PolarHBondContact O-CD2 3.07Å
725S32.9Very low31.4Very low87 Ų87127.7 Ų127.761%0.60869%0.686SS**SBendtrans-133.2137.4167.852.60000109.7K723K723-S725 PolarHBondContact O-N 3.46Å
726E30Very low30.9Very low182 Ų182130.6 Ų130.685%0.8570%0.698SS**  trans84.652.7173.8-49.7-167.1155.800118.4V728E726-V728 PolarHBondContact O-N 3.17Å
727D26.7Very low30.9Very low176 Ų176130.7 Ų130.794%0.94171%0.706SS**  trans-72.674.6148.8-88-45.1000110.7
728V31.9Very low30.5Very low122 Ų122130.3 Ų130.374%0.73971%0.706SS**  trans-137.5114.9162.7-177.20000109.9E726 V730E726-V728 PolarHBondContact O-N 3.17Å; V728-V730 HydrophobicContact CG1-CG2 4.43Å; V728-V730 PolarHBondContact O-N 2.9Å
729H25.9Very low30.4Very low181 Ų181131.8 Ų131.884%0.83872%0.718SS**  trans-8198.7-171.4-161.1-56.7000111.8
730V31.5Very low30.4Very low118 Ų118136 Ų13672%0.71574%0.735SS**  trans-129.8115169.1-1780000110.1V728V728-V730 HydrophobicContact CG1-CG2 4.43Å; V728-V730 PolarHBondContact O-N 2.9Å
731S26.2Very low30.3Very low96 Ų96137 Ų13767%0.67175%0.749SS**  trans-74.8136.4170.5-44.10000110.2
732N30.2Very low30.1Very low157 Ų157135.5 Ų135.584%0.8475%0.751SS**  trans-160.6148.4151.5-109.2-22.4000112.6
733D28.8Very low30.1Very low136 Ų136135.6 Ų135.673%0.72775%0.751SS**  trans-85157-166.5-63.2-71.6000115.4
734N25.8Very low30.1Very low150 Ų150136 Ų13680%0.80276%0.76SS**  trans40.592.2138.9-61.1-35.6000120
735V30.3Very low30Very low130 Ų130132.9 Ų132.979%0.78876%0.756SS**  trans-140.9126137.5-178.90000110.7
736N24.1Very low30Very low158 Ų158134 Ų13485%0.84576%0.764SS**  trans-102.2126.6161.7-89.1-43.4000109.3
737S30.3Very low30.3Very low100 Ų100131 Ų13170%0.69976%0.763SS**  trans-146.2103.4169.156.50000108.7
738I27Very low30.5Very low126 Ų126131.1 Ų131.165%0.64676%0.758SS**  66.39265.9-54.5169.3000112.7H740I738-H740 VanDerWaalsContact CG2-NE2 3.34Å; I738-H740 WeakPolarHBondContact CG2-NE2 3.1Å
739I32Very low30.8Very low163 Ų163136.9 Ų136.984%0.83677%0.768SS**  trans-147.7103136.5-42.7-179.2000103.8
740H30.3Very low30.9Very low158 Ų158135.1 Ų135.173%0.73177%0.765SS**  46.9138.288.4-60.7-54.3000113.5I738I738-H740 VanDerWaalsContact CG2-NE2 3.34Å; I738-H740 WeakPolarHBondContact CG2-NE2 3.1Å
741S33.1Very low31.2Very low113 Ų113135 Ų13579%0.7977%0.77SS**  cis-156.417218.647.20000108.6
742S34Very low31.5Very low104 Ų104138 Ų13873%0.72778%0.778SS**  cis-161.7170.2-16.348.30000106.1
743S35Very low31.7Very low90 Ų90138.6 Ų138.663%0.62978%0.776SS**  cis-166.8161.935.6-34.70000111.3
744N32.3Very low32.1Very low150 Ų150139.2 Ų139.280%0.80278%0.778SS**  trans61.1100.6154.8-66.219.9000118.2
745S32Very low32.1Very low94 Ų94138 Ų13866%0.65778%0.776SS**  86.392.674.870.40000113.1
746S32.5Very low32.4Very low109 Ų109137 Ų13776%0.76277%0.772SS**  87.2103.667.869.50000114.7
747S37.1Very low32.8Very low120 Ų120137.4 Ų137.484%0.83977%0.769SS**  trans-166.3125.31382.80000109
748E30.5Very low33.1Very low178 Ų178138.3 Ų138.383%0.83277%0.77SS**  trans-94143.8165.3-60.9164.9133.300107.9
749Y37.4Very low33.3Very low243 Ų243141 Ų14195%0.95378%0.777SS**  trans-149.9148.1145.7-89.7-63000110.1
750D28.3Very low33.4Very low144 Ų144139.6 Ų139.677%0.7777%0.771SS**  trans-102.6155-165.6-178.927.5000111.9
751S38.7Very low33.6Very low117 Ų117137.6 Ų137.682%0.81877%0.766SS**  trans166.2135.5155.2-75.10000112
752D32.1Very low33.6Very low157 Ų157138.7 Ų138.784%0.8476%0.762SS**  trans-70.1169.7168.9-61.7-75.5000113.6
753E34.7Very low33.5Very low171 Ų171141 Ų14180%0.79977%0.766SS**  169.2116.2110.2-169.5161.7-13900114.2
754I37.5Very low33.2Very low149 Ų149145.4 Ų145.476%0.76478%0.782SS**  trans62.3138.6148.9-65.9170.1000121.9
755T25.9Very low33.1Very low124 Ų124141.8 Ų141.876%0.76178%0.781SS**  trans-116.7-179.5168.645.20000109.4
756P36.7Very low33.1Very low108 Ų108144.9 Ų144.970%0.70179%0.788SS**  cis-131.8-165.5-725.40.4000113.2
757E32.1Very low33Very low168 Ų168147.1 Ų147.179%0.78579%0.791SS**  139.3137129-71.6-126.4146.400118.5
758V35.3Very low32.8Very low119 Ų119145.8 Ų145.872%0.72178%0.78SS**  trans63.2104.4152.4-179.60000121.6
759K32.1Very low33.2Very low183 Ų183143.4 Ų143.480%0.79678%0.778SS**  trans10135135.5-51.2170.6-177.6172.10119.4
760D34.2Very low33.2Very low133 Ų133137.5 Ų137.571%0.71177%0.767SS**  -168.2130.996.8-111.11.1000116.1
761N34.5Very low33.9Very low116 Ų116138.6 Ų138.662%0.6277%0.765SS**  trans46.3118138.3-55.6-35.6000123.7
762N33.4Very low34.2Very low135 Ų135137.6 Ų137.672%0.72275%0.75SS**  trans91.1114.2133-61.9-16.3000122.3
763N31.6Very low35.2Very low152 Ų152133.8 Ų133.881%0.81373%0.73SS**  trans94.5131.1138-63.8-17.5000121.7
764L29.3Very low36.3Very low184 Ų184130.3 Ų130.396%0.96372%0.716SS**  trans81.495.4153.1-149.871.8000118.2
765G30.3Very low37.4Very low74 Ų74128.2 Ų128.276%0.76370%0.704SS**  trans167.764.3173.400000112.5
766I31.6Very low39Very low159 Ų159124.2 Ų124.282%0.81568%0.677SS**  trans-98.1107.4177.2-55.8178.1000108.7P768I766-P768 WeakPolarHBondContact O-CD 3.04Å
767D29.5Very low40.1Very low156 Ų156120.9 Ų120.983%0.83466%0.656SS**  trans-99.7106.9167.8-105.2-31.8000109.9T769D767-T769 PolarHBondContact O-N 2.96Å
768P34.4Very low41.5Very low92 Ų92119.7 Ų119.760%0.59765%0.648SS**  trans-93.591.5-178.735.1-31.8000111I766 V770I766-P768 WeakPolarHBondContact O-CD 3.04Å; P768-V770 HydrophobicContact CB-CG2 4.08Å; P768-V770 PolarHBondContact O-N 3.12Å
769T37.1Very low43Very low128 Ų128120 Ų12079%0.78564%0.64SS**  trans-72.739.6164.954.40000112.4D767 F771D767-T769 PolarHBondContact O-N 2.96Å; T769-F771 VanDerWaalsContact C-N 3.31Å; T769-F771 PolarHBondContact O-N 2.99Å
770V38Very low44.8Very low119 Ų119111.8 Ų111.872%0.72160%0.604SS**  trans-75.186.3174.2-1790000107.3P768 N772P768-V770 HydrophobicContact CB-CG2 4.08Å; P768-V770 PolarHBondContact O-N 3.12Å; V770-N772 PolarHBondContact O-N 3.16Å
771F42.2Very low46.8Very low166 Ų166107.8 Ų107.873%0.72859%0.586SS**  trans-53.6116.5172.2-90-88.9000109.2T769 L773T769-F771 VanDerWaalsContact C-N 3.31Å; T769-F771 PolarHBondContact O-N 2.99Å; F771-L773 PolarHBondContact O-N 3.19Å
772N45.1Very low48.4Very low96 Ų96110.3 Ų110.351%0.51359%0.591SS.*  trans-78.388.1-162.1-160.2-8.3000110.3V770 D774 E775V770-N772 PolarHBondContact O-N 3.16Å; N772-D774 PolarHBondContact O-N 3.18Å; N772-D774 WeakPolarHBondContact OD1-CB 3.43Å; N772-E775 PolarHBondContact O-N 2.95Å
773L53.9Low50.3Low78 Ų78108.2 Ų108.241%0.40858%0.58SS.*Hα-helixtrans-48.9-34.7179.4-170.972.1000111.4F771 E775 L776 C777 L802F771-L773 PolarHBondContact O-N 3.19Å; L773-E775 VanDerWaalsContact C-N 3.26Å; L773-E775 PolarHBondContact O-N 3.12Å; L773-L776 PolarHBondContact O-N 2.89Å; L773-C777 WeakPolarHBondContact O-CB 3.36Å; L773-C777 PolarHBondContact O-N 3.27Å; L773-C777 PolarHBondContact O-SG 2.99Å; L773-C777 VanDerWaalsContact O-SG 3.33Å; L773-L802 HydrophobicContact CD1-CD1 3.98Å
774D57.4Low52.2Low97 Ų97101.1 Ų101.152%0.51954%0.542SS..Hα-helixtrans-59.7-28.1176.8-131.650.8000113.9N772 K778N772-D774 PolarHBondContact O-N 3.18Å; N772-D774 WeakPolarHBondContact OD1-CB 3.43Å; D774-K778 WeakPolarHBondContact O-CD 3.33Å; D774-K778 WeakPolarHBondContact O-CE 3.36Å; D774-K778 WeakPolarHBondContact O-CG 3.47Å; D774-K778 PolarHBondContact O-N 2.88Å; D774-K778 PolarHBondContact O-NZ 3.11Å; D774-K778 WeakPolarHBondContact OD2-CE 3.43Å; D774-K778 IonicContact OD2-NZ 3.21Å; D774-K778 PolarHBondContact OD2-NZ 3.49Å
775E61.1Low54.2Low106 Ų10693.2 Ų93.250%0.49550%0.501SS..Hα-helixtrans-84.3-35.9176.9-163.1-173.8148.800112.6N772 L773 K778 K779N772-E775 PolarHBondContact O-N 2.95Å; L773-E775 VanDerWaalsContact C-N 3.26Å; L773-E775 PolarHBondContact O-N 3.12Å; E775-K778 PolarHBondContact O-N 3.28Å; E775-K779 IonicContact OE1-NZ 3.33Å; E775-K779 PolarHBondContact OE1-NZ 3.01Å
776L58.3Low56.1Low39 Ų3993 Ų9320%0.20449%0.487CS..Hα-helixtrans-66.5-46171.6-70.9170000110.5L773 K778 K779 L802 L805L773-L776 PolarHBondContact O-N 2.89Å; L776-K778 PolarHBondContact O-N 3.26Å; L776-K779 PolarHBondContact O-N 3.16Å; L776-L802 HydrophobicContact CD1-CD1 4.41Å; L776-L805 HydrophobicContact CD1-CB 4.37Å
777C60.6Low57.9Low38 Ų3887.3 Ų87.326%0.25746%0.457SS..THydrogen-bonded Turntrans-63.9-19.9177.1-71.60000114.1L773 L785L773-C777 WeakPolarHBondContact O-CB 3.36Å; L773-C777 PolarHBondContact O-N 3.27Å; L773-C777 PolarHBondContact O-SG 2.99Å; L773-C777 VanDerWaalsContact O-SG 3.33Å; C777-L785 HydrophobicContact CB-CD1 3.95Å
778K62.2Low60Low144 Ų14479.9 Ų79.963%0.62642%0.417SS*.THydrogen-bonded Turntrans-76.8-17.9173.3-79159.8-160.81460113.8D774 E775 L776D774-K778 WeakPolarHBondContact O-CD 3.33Å; D774-K778 WeakPolarHBondContact O-CE 3.36Å; D774-K778 WeakPolarHBondContact O-CG 3.47Å; D774-K778 PolarHBondContact O-N 2.88Å; D774-K778 PolarHBondContact O-NZ 3.11Å; D774-K778 WeakPolarHBondContact OD2-CE 3.43Å; D774-K778 IonicContact OD2-NZ 3.21Å; D774-K778 PolarHBondContact OD2-NZ 3.49Å; E775-K778 PolarHBondContact O-N 3.28Å; L776-K778 PolarHBondContact O-N 3.26Å
779K66.9Low61.8Low126 Ų12677.6 Ų77.655%0.54840%0.401SS..SBendtrans-93-7.6-176.9-69.4173.6-175.91610114E775 L776E775-K779 IonicContact OE1-NZ 3.33Å; E775-K779 PolarHBondContact OE1-NZ 3.01Å; L776-K779 PolarHBondContact O-N 3.16Å
780I69.1Low63.5Low9 Ų977.5 Ų77.55%0.04640%0.396CS..SBendtrans-124.9139.8-172.3-62.6166.5000109.4K782 V784 L785 L805 L817I780-K782 PolarHBondContact O-N 3.35Å; I780-V784 HydrophobicContact CG2-CB 4.23Å; I780-V784 HydrophobicContact CG2-CG1 4.27Å; I780-L785 HydrophobicContact CB-CD1 4.34Å; I780-L785 HydrophobicContact CB-CD2 4.21Å; I780-L785 HydrophobicContact CB-CG 4.18Å; I780-L785 HydrophobicContact CD1-CD2 4.44Å; I780-L785 HydrophobicContact CG2-CD2 3.96Å; I780-L785 HydrophobicContact CG2-CG 3.86Å; I780-L805 HydrophobicContact CD1-CD2 3.57Å; I780-L817 HydrophobicContact CD1-CD2 3.98Å; I780-L817 HydrophobicContact CG1-CD2 4.48Å; I780-L817 HydrophobicContact CG2-CD2 4.03Å
781P75.4Confident65.2Low49 Ų4974.5 Ų74.532%0.31838%0.376SS..  trans-55.9132.5176.4-25.434.6000112D783 V784 L785 I814P781-D783 WeakPolarHBondContact CB-OD1 3.45Å; P781-D783 PolarHBondContact O-N 2.89Å; P781-V784 HydrophobicContact CB-CG2 4.18Å; P781-V784 HydrophobicContact CG-CG2 4.47Å; P781-V784 PolarHBondContact O-N 2.91Å; P781-L785 PolarHBondContact O-N 2.93Å; P781-L785 VanDerWaalsContact O-N 3.08Å; P781-I814 HydrophobicContact CG-CG2 4.1Å
782K68.7Low66.6Low170 Ų17066.9 Ų66.974%0.73934%0.343SS*.Hα-helixtrans-58.7-35.2-176.1-65.5-175.5178.3-176.10112.2I780 L785 C786I780-K782 PolarHBondContact O-N 3.35Å; K782-L785 PolarHBondContact O-N 2.85Å; K782-C786 PolarHBondContact O-N 3.38Å; K782-C786 PolarHBondContact O-SG 2.93Å
783D72.7Confident67.7Low90 Ų9065.4 Ų65.448%0.48134%0.339SS..Hα-helixtrans-61.4-37.4173.845.9-64.1000113P781 E787 R818P781-D783 WeakPolarHBondContact CB-OD1 3.45Å; P781-D783 PolarHBondContact O-N 2.89Å; D783-E787 WeakPolarHBondContact O-CB 3.38Å; D783-E787 PolarHBondContact O-N 3.3Å; D783-R818 IonicContact OD2-NH1 2.75Å
784V72.5Confident68.2Low3 Ų367.4 Ų67.42%0.01835%0.354CS..Hα-helixtrans-73.6-37.2173.3178.60000111.3I780 P781 C786 E787 L788 I814 L817 R818I780-V784 HydrophobicContact CG2-CB 4.23Å; I780-V784 HydrophobicContact CG2-CG1 4.27Å; P781-V784 HydrophobicContact CB-CG2 4.18Å; P781-V784 HydrophobicContact CG-CG2 4.47Å; P781-V784 PolarHBondContact O-N 2.91Å; V784-C786 VanDerWaalsContact C-N 3.33Å; V784-C786 PolarHBondContact O-N 3.07Å; V784-E787 PolarHBondContact O-N 3.16Å; V784-L788 HydrophobicContact CG1-CD1 4.17Å; V784-L788 WeakPolarHBondContact O-CB 3.45Å; V784-L788 WeakPolarHBondContact O-CG 3.45Å; V784-L788 PolarHBondContact O-N 2.91Å; V784-I814 HydrophobicContact CG2-CG2 4.39Å; V784-L817 HydrophobicContact CG1-CD2 4.22Å; V784-L817 HydrophobicContact CG1-CG 4.27Å; V784-R818 HydrophobicContact CG1-CB 4.26Å; V784-R818 HydrophobicContact CG2-CB 4.26Å; V784-R818 HydrophobicContact CG2-CG 4.18Å
785L71Confident68.3Low18 Ų1872.3 Ų72.39%0.09437%0.373CS..Hα-helixtrans-63.2-38.8173.4-67.6170.3000111.9C777 I780 P781 K782 T789 L805C777-L785 HydrophobicContact CB-CD1 3.95Å; I780-L785 HydrophobicContact CB-CD1 4.34Å; I780-L785 HydrophobicContact CB-CD2 4.21Å; I780-L785 HydrophobicContact CB-CG 4.18Å; I780-L785 HydrophobicContact CD1-CD2 4.44Å; I780-L785 HydrophobicContact CG2-CD2 3.96Å; I780-L785 HydrophobicContact CG2-CG 3.86Å; P781-L785 PolarHBondContact O-N 2.93Å; P781-L785 VanDerWaalsContact O-N 3.08Å; K782-L785 PolarHBondContact O-N 2.85Å; L785-T789 VanDerWaalsContact O-CB 3.31Å; L785-T789 WeakPolarHBondContact O-CB 3.43Å; L785-T789 PolarHBondContact O-N 2.97Å; L785-T789 PolarHBondContact O-OG1 2.66Å; L785-L805 HydrophobicContact CD2-CD1 3.78Å; L785-L805 HydrophobicContact CD2-CD2 3.83Å; L785-L805 HydrophobicContact CD2-CG 4.44Å
786C69.8Low68.3Low71 Ų7168.9 Ų68.948%0.4836%0.361SS..Hα-helixtrans-66.6-44.6172-69.10000112.1K782 V784 L788 T789 N790K782-C786 PolarHBondContact O-N 3.38Å; K782-C786 PolarHBondContact O-SG 2.93Å; V784-C786 VanDerWaalsContact C-N 3.33Å; V784-C786 PolarHBondContact O-N 3.07Å; C786-L788 VanDerWaalsContact C-N 3.29Å; C786-L788 PolarHBondContact O-N 3.48Å; C786-T789 PolarHBondContact O-N 3.49Å; C786-N790 WeakPolarHBondContact O-CB 3.39Å; C786-N790 PolarHBondContact O-N 3.27Å; C786-N790 PolarHBondContact O-ND2 3.23Å
787E70Confident68.7Low38 Ų3869.2 Ų69.218%0.17836%0.362CS..Hα-helixtrans-60.5-37.8177.5-163.3164.6-171.200111.1D783 V784 N791 R818 R822D783-E787 WeakPolarHBondContact O-CB 3.38Å; D783-E787 PolarHBondContact O-N 3.3Å; V784-E787 PolarHBondContact O-N 3.16Å; E787-N791 WeakPolarHBondContact O-CB 3.34Å; E787-N791 PolarHBondContact O-ND2 3.17Å; E787-N791 VanDerWaalsContact O-ND2 3.09Å; E787-R818 IonicContact OE1-NE 3.17Å; E787-R818 IonicContact OE2-CZ 3.7Å; E787-R818 IonicContact OE2-NE 2.77Å; E787-R818 PolarHBondContact OE2-NE 2.99Å; E787-R818 IonicContact OE2-NH2 3.73Å; E787-R818 PolarHBondContact OE2-NH2 3.21Å; E787-R822 WeakPolarHBondContact OE1-CD 3.33Å; E787-R822 VanDerWaalsContact OE1-CG 3.32Å; E787-R822 WeakPolarHBondContact OE1-CG 3.49Å; E787-R822 IonicContact OE1-CZ 2.82Å; E787-R822 IonicContact OE1-NE 3.83Å; E787-R822 PolarHBondContact OE1-NE 3.48Å; E787-R822 IonicContact OE1-NH2 3.94Å
788L73.8Confident68.8Low1 Ų175.8 Ų75.81%0.00539%0.389CS..Hα-helixtrans-69.6-51.6171.7-72.6163.3000113.2V784 C786 N790 N791 L792 L801 L817 F820V784-L788 HydrophobicContact CG1-CD1 4.17Å; V784-L788 WeakPolarHBondContact O-CB 3.45Å; V784-L788 WeakPolarHBondContact O-CG 3.45Å; V784-L788 PolarHBondContact O-N 2.91Å; C786-L788 VanDerWaalsContact C-N 3.29Å; C786-L788 PolarHBondContact O-N 3.48Å; L788-N790 VanDerWaalsContact C-N 3.34Å; L788-N790 PolarHBondContact O-N 2.75Å; L788-N791 PolarHBondContact O-N 2.89Å; L788-L792 WeakPolarHBondContact O-CG 3.41Å; L788-L792 PolarHBondContact O-N 2.96Å; L788-L801 HydrophobicContact CB-CD1 4.44Å; L788-L817 HydrophobicContact CD1-CD1 3.89Å; L788-L817 HydrophobicContact CD1-CD2 4.04Å; L788-L817 HydrophobicContact CD1-CG 3.9Å; L788-L817 HydrophobicContact CD2-CD1 4.25Å; L788-F820 HydrophobicContact CD2-CD1 4.1Å
789T71.7Confident69Low43 Ų4373.6 Ų73.626%0.26439%0.388SS..Hα-helixtrans-63.8-40.1-172.1-55.10000111.5L785 C786 N791 L792 Q797L785-T789 VanDerWaalsContact O-CB 3.31Å; L785-T789 WeakPolarHBondContact O-CB 3.43Å; L785-T789 PolarHBondContact O-N 2.97Å; L785-T789 PolarHBondContact O-OG1 2.66Å; C786-T789 PolarHBondContact O-N 3.49Å; T789-N791 PolarHBondContact O-N 3Å; T789-L792 PolarHBondContact O-N 3.33Å; T789-Q797 PolarHBondContact O-NE2 3.39Å; T789-Q797 VanDerWaalsContact O-NE2 3.12Å
790N73.9Confident69.2Low127 Ų12768.7 Ų68.768%0.67937%0.367SS*.THydrogen-bonded Turntrans-66.3-22.3177.1-68-20000113.3C786 L788C786-N790 WeakPolarHBondContact O-CB 3.39Å; C786-N790 PolarHBondContact O-N 3.27Å; C786-N790 PolarHBondContact O-ND2 3.23Å; L788-N790 VanDerWaalsContact C-N 3.34Å; L788-N790 PolarHBondContact O-N 2.75Å
791N71.8Confident69.5Low55 Ų5569.2 Ų69.229%0.29437%0.37SS..THydrogen-bonded Turntrans-102.62.8-173.6-69.3-3.9000113.3E787 L788 T789 G821 P825E787-N791 WeakPolarHBondContact O-CB 3.34Å; E787-N791 PolarHBondContact O-ND2 3.17Å; E787-N791 VanDerWaalsContact O-ND2 3.09Å; L788-N791 PolarHBondContact O-N 2.89Å; T789-N791 PolarHBondContact O-N 3Å; N791-G821 PolarHBondContact ND2-O 2.9Å; N791-P825 HydrophobicContact CB-CG 3.66Å; N791-P825 VanDerWaalsContact ND2-CG 3.33Å; N791-P825 WeakPolarHBondContact ND2-CG 3.36Å
792L73.1Confident69.2Low7 Ų770.2 Ų70.24%0.03737%0.372CS..SBendtrans-100.3146.8177.1-77.9166.3000111.9F706 L788 T789 V794 Q797 L800 L801 I804 L824F706-L792 HydrophobicContact CE1-CD2 4.48Å; F706-L792 HydrophobicContact CE2-CD2 3.91Å; F706-L792 HydrophobicContact CZ-CD2 3.68Å; L788-L792 WeakPolarHBondContact O-CG 3.41Å; L788-L792 PolarHBondContact O-N 2.96Å; T789-L792 PolarHBondContact O-N 3.33Å; L792-V794 PolarHBondContact O-N 3.03Å; L792-Q797 HydrophobicContact CB-CG 3.79Å; L792-Q797 WeakPolarHBondContact O-CG 3.35Å; L792-Q797 PolarHBondContact O-NE2 2.82Å; L792-L800 HydrophobicContact CD2-CB 4.2Å; L792-L800 HydrophobicContact CD2-CD1 4.18Å; L792-L801 HydrophobicContact CD1-CB 4.28Å; L792-L801 HydrophobicContact CD1-CD1 4.33Å; L792-I804 HydrophobicContact CD1-CD1 4.06Å; L792-I804 HydrophobicContact CD2-CD1 3.85Å; L792-L824 HydrophobicContact CD2-CD1 4.01Å
793P67.6Low69.3Low65 Ų6564.3 Ų64.342%0.42235%0.353SS..  trans-59125.9177.7-2434.2000112.9F706 E795 S796 Q797F706-P793 HydrophobicContact CD2-CG 4.39Å; P793-E795 PolarHBondContact O-N 3.39Å; P793-E795 VanDerWaalsContact O-N 3.14Å; P793-S796 PolarHBondContact O-N 3.08Å; P793-S796 VanDerWaalsContact O-N 3.12Å; P793-Q797 WeakPolarHBondContact O-CG 3.33Å; P793-Q797 PolarHBondContact O-N 2.95Å
794V64.6Low69.5Low120 Ų12060 Ų6073%0.72733%0.33SS*.THydrogen-bonded Turntrans-54.8-38.3-171.5-176.60000113L792 S796L792-V794 PolarHBondContact O-N 3.03Å; V794-S796 PolarHBondContact O-N 3.16Å
795E59.7Low69.6Low199 Ų19960 Ų6093%0.9333%0.329SS*.THydrogen-bonded Turntrans-67.6-20.8-175.2-59.7-179.5176.300113.9P793P793-E795 PolarHBondContact O-N 3.39Å; P793-E795 VanDerWaalsContact O-N 3.14Å
796S60.5Low69.6Low34 Ų3462.7 Ų62.724%0.23835%0.35CS..THydrogen-bonded Turntrans-130.18-17856.40000113.9P793 V794 Q798 T799 L800P793-S796 PolarHBondContact O-N 3.08Å; P793-S796 VanDerWaalsContact O-N 3.12Å; V794-S796 PolarHBondContact O-N 3.16Å; S796-Q798 PolarHBondContact O-N 2.81Å; S796-T799 PolarHBondContact O-N 3.45Å; S796-L800 PolarHBondContact O-N 3.3Å; S796-L800 VanDerWaalsContact OG-CD1 3.23Å; S796-L800 WeakPolarHBondContact OG-CD1 3.29Å
797Q67Low69.9Low47 Ų4761.5 Ų61.522%0.2234%0.337CS..Hα-helixtrans-46.5-49.1-174.5-105.917119.800114T789 L792 P793 L801T789-Q797 PolarHBondContact O-NE2 3.39Å; T789-Q797 VanDerWaalsContact O-NE2 3.12Å; L792-Q797 HydrophobicContact CB-CG 3.79Å; L792-Q797 WeakPolarHBondContact O-CG 3.35Å; L792-Q797 PolarHBondContact O-NE2 2.82Å; P793-Q797 WeakPolarHBondContact O-CG 3.33Å; P793-Q797 PolarHBondContact O-N 2.95Å; Q797-L801 WeakPolarHBondContact O-CB 3.46Å; Q797-L801 PolarHBondContact O-N 2.89Å
798Q63Low69.9Low175 Ų17563.2 Ų63.282%0.81835%0.352SS*.Hα-helixtrans-67.7-45.4-175.9-65.9-174.81.700112.5S796 L802S796-Q798 PolarHBondContact O-N 2.81Å; Q798-L802 WeakPolarHBondContact O-CB 3.14Å; Q798-L802 PolarHBondContact O-N 2.69Å
799T66.1Low69.7Low99 Ų9963.3 Ų63.361%0.60735%0.352SS*.Hα-helixtrans-66.9-47.7179.6-49.50000110.9S796 L802 S803S796-T799 PolarHBondContact O-N 3.45Å; T799-L802 PolarHBondContact O-N 3.29Å; T799-S803 PolarHBondContact O-N 3.02Å; T799-S803 PolarHBondContact O-OG 3.26Å; T799-S803 VanDerWaalsContact O-OG 3.13Å
800L71.6Confident69.6Low23 Ų2361.2 Ų61.212%0.1234%0.34CS..Hα-helixtrans-63.9-42.3178.3-68-177.8000111.8F706 L792 S796 S803 I804F706-L800 HydrophobicContact CB-CD1 4.09Å; F706-L800 HydrophobicContact CB-CD2 4.39Å; F706-L800 HydrophobicContact CD1-CD1 3.75Å; F706-L800 HydrophobicContact CD1-CD2 3.56Å; F706-L800 HydrophobicContact CD1-CG 4.27Å; F706-L800 HydrophobicContact CD2-CD1 3.9Å; F706-L800 HydrophobicContact CE1-CD1 4.1Å; F706-L800 HydrophobicContact CE1-CD2 4.1Å; F706-L800 HydrophobicContact CE2-CD1 4.25Å; F706-L800 HydrophobicContact CG-CD1 3.65Å; F706-L800 HydrophobicContact CG-CD2 4.13Å; F706-L800 HydrophobicContact CZ-CD1 4.35Å; L792-L800 HydrophobicContact CD2-CB 4.2Å; L792-L800 HydrophobicContact CD2-CD1 4.18Å; S796-L800 PolarHBondContact O-N 3.3Å; S796-L800 VanDerWaalsContact OG-CD1 3.23Å; S796-L800 WeakPolarHBondContact OG-CD1 3.29Å; L800-S803 PolarHBondContact O-N 3.48Å; L800-I804 HydrophobicContact CB-CD1 4.49Å; L800-I804 WeakPolarHBondContact O-CB 3.11Å; L800-I804 WeakPolarHBondContact O-CD1 3.35Å; L800-I804 WeakPolarHBondContact O-CG1 3.35Å; L800-I804 PolarHBondContact O-N 2.96Å
801L74.5Confident69.2Low20 Ų2058.3 Ų58.311%0.10533%0.327CS..Hα-helixtrans-61.2-46.6175.3-174.668.3000110.6L788 L792 Q797 S803 I804 L805L788-L801 HydrophobicContact CB-CD1 4.44Å; L792-L801 HydrophobicContact CD1-CB 4.28Å; L792-L801 HydrophobicContact CD1-CD1 4.33Å; Q797-L801 WeakPolarHBondContact O-CB 3.46Å; Q797-L801 PolarHBondContact O-N 2.89Å; L801-S803 PolarHBondContact O-N 2.9Å; L801-I804 PolarHBondContact O-N 2.89Å; L801-L805 HydrophobicContact CD1-CD1 4Å; L801-L805 HydrophobicContact CD1-CD2 4.35Å; L801-L805 HydrophobicContact CD1-CG 3.97Å; L801-L805 HydrophobicContact CD2-CD1 4.47Å; L801-L805 HydrophobicContact CG-CD1 3.88Å; L801-L805 HydrophobicContact CG-CG 4.12Å; L801-L805 VanDerWaalsContact O-CB 3.31Å; L801-L805 WeakPolarHBondContact O-CB 3.31Å; L801-L805 WeakPolarHBondContact O-CG 3.38Å; L801-L805 PolarHBondContact O-N 3.35Å
802L68.9Low69.4Low70 Ų7061.8 Ų61.837%0.36634%0.341SS..Hα-helixtrans-58.8-45.2176-179.562.5000111.7L773 L776 Q798 T799 L805 S806L773-L802 HydrophobicContact CD1-CD1 3.98Å; L776-L802 HydrophobicContact CD1-CD1 4.41Å; Q798-L802 WeakPolarHBondContact O-CB 3.14Å; Q798-L802 PolarHBondContact O-N 2.69Å; T799-L802 PolarHBondContact O-N 3.29Å; L802-L805 PolarHBondContact O-N 3.22Å; L802-S806 VanDerWaalsContact O-CB 3.25Å; L802-S806 WeakPolarHBondContact O-CB 3.21Å; L802-S806 PolarHBondContact O-N 3.07Å; L802-S806 PolarHBondContact O-OG 3.39Å
803S70.3Confident69.8Low46 Ų4663.5 Ų63.532%0.32235%0.351SS..Hα-helixtrans-61.2-48.5176.3-60.20000112.3T799 L800 L801 L805 S806 H807T799-S803 PolarHBondContact O-N 3.02Å; T799-S803 PolarHBondContact O-OG 3.26Å; T799-S803 VanDerWaalsContact O-OG 3.13Å; L800-S803 PolarHBondContact O-N 3.48Å; L801-S803 PolarHBondContact O-N 2.9Å; S803-L805 PolarHBondContact O-N 3.4Å; S803-S806 PolarHBondContact O-N 3.31Å; S803-S806 PolarHBondContact O-OG 2.92Å; S803-H807 PolarHBondContact O-N 3.42Å
804I77.7Confident70.5Confident0 Ų063.5 Ų63.50%035%0.346CS..Hα-helixtrans-62-44.3179-69159.2000110.9F706 L792 L800 L801 H807 A810 L817 F820 F855F706-I804 HydrophobicContact CE1-CD1 4.41Å; F706-I804 HydrophobicContact CZ-CD1 4.46Å; L792-I804 HydrophobicContact CD1-CD1 4.06Å; L792-I804 HydrophobicContact CD2-CD1 3.85Å; L800-I804 HydrophobicContact CB-CD1 4.49Å; L800-I804 WeakPolarHBondContact O-CB 3.11Å; L800-I804 WeakPolarHBondContact O-CD1 3.35Å; L800-I804 WeakPolarHBondContact O-CG1 3.35Å; L800-I804 PolarHBondContact O-N 2.96Å; L801-I804 PolarHBondContact O-N 2.89Å; I804-H807 WeakPolarHBondContact O-CB 3.48Å; I804-H807 PolarHBondContact O-N 3.3Å; I804-A810 WeakPolarHBondContact O-CB 3.4Å; I804-L817 HydrophobicContact CG2-CD1 4.08Å; I804-F820 HydrophobicContact CD1-CE1 3.96Å; I804-F820 HydrophobicContact CD1-CZ 4.37Å; I804-F820 HydrophobicContact CG1-CE1 4.16Å; I804-F820 HydrophobicContact CG2-CE1 3.99Å; I804-F855 HydrophobicContact CB-CZ 4.46Å; I804-F855 HydrophobicContact CG1-CD1 4.03Å; I804-F855 HydrophobicContact CG1-CD2 4.25Å; I804-F855 HydrophobicContact CG1-CE1 3.93Å; I804-F855 HydrophobicContact CG1-CE2 4.17Å; I804-F855 HydrophobicContact CG1-CG 4.19Å; I804-F855 HydrophobicContact CG1-CZ 4.01Å
805L74.3Confident71.4Confident1 Ų162.2 Ų62.21%0.00534%0.342CS..Hα-helixtrans-72.9-27.2179.8-64.2-170.9000113.2L776 I780 L785 L801 L802 S803 H807L776-L805 HydrophobicContact CD1-CB 4.37Å; I780-L805 HydrophobicContact CD1-CD2 3.57Å; L785-L805 HydrophobicContact CD2-CD1 3.78Å; L785-L805 HydrophobicContact CD2-CD2 3.83Å; L785-L805 HydrophobicContact CD2-CG 4.44Å; L801-L805 HydrophobicContact CD1-CD1 4Å; L801-L805 HydrophobicContact CD1-CD2 4.35Å; L801-L805 HydrophobicContact CD1-CG 3.97Å; L801-L805 HydrophobicContact CD2-CD1 4.47Å; L801-L805 HydrophobicContact CG-CD1 3.88Å; L801-L805 HydrophobicContact CG-CG 4.12Å; L801-L805 VanDerWaalsContact O-CB 3.31Å; L801-L805 WeakPolarHBondContact O-CB 3.31Å; L801-L805 WeakPolarHBondContact O-CG 3.38Å; L801-L805 PolarHBondContact O-N 3.35Å; L802-L805 PolarHBondContact O-N 3.22Å; S803-L805 PolarHBondContact O-N 3.4Å; L805-H807 VanDerWaalsContact C-N 3.29Å
806S71.3Confident72.7Confident76 Ų7653 Ų5353%0.53130%0.299SS..Hα-helixtrans-72.3-21.8172.874.90000113.1L802 S803L802-S806 VanDerWaalsContact O-CB 3.25Å; L802-S806 WeakPolarHBondContact O-CB 3.21Å; L802-S806 PolarHBondContact O-N 3.07Å; L802-S806 PolarHBondContact O-OG 3.39Å; S803-S806 PolarHBondContact O-N 3.31Å; S803-S806 PolarHBondContact O-OG 2.92Å
807H76.9Confident73.9Confident45 Ų4551.3 Ų51.321%0.20829%0.288CS..SBendtrans-69.8128.2-178.9-168.4-109.9000111.2S803 I804 L805 G809 A810 R851 F855S803-H807 PolarHBondContact O-N 3.42Å; I804-H807 WeakPolarHBondContact O-CB 3.48Å; I804-H807 PolarHBondContact O-N 3.3Å; L805-H807 VanDerWaalsContact C-N 3.29Å; H807-G809 PolarHBondContact ND1-N 3.09Å; H807-G809 PolarHBondContact O-N 2.85Å; H807-A810 WeakPolarHBondContact O-CB 3.48Å; H807-A810 PolarHBondContact O-N 3.13Å; H807-R851 PolarHBondContact CE1-O 3.03Å; H807-R851 PolarHBondContact ND1-O 2.8Å; H807-F855 HydrophobicContact CB-CE2 3.91Å; H807-F855 HydrophobicContact CB-CZ 4.19Å
808P70.4Confident74.7Confident75 Ų7553.7 Ų53.749%0.48730%0.295SS..Hα-helixtrans-58.8-27-176.521.6-33.9000113.6A810 T811 Q812P808-A810 PolarHBondContact O-N 3.41Å; P808-T811 PolarHBondContact O-N 3.11Å; P808-T811 PolarHBondContact O-OG1 3.18Å; P808-Q812 VanDerWaalsContact O-CG 3.27Å; P808-Q812 WeakPolarHBondContact O-CG 3.31Å; P808-Q812 PolarHBondContact O-N 3.41Å
809G68.9Low75.9Confident2 Ų246 Ų462%0.02126%0.259CS..Hα-helixtrans-58.9-30.4174.300000114.5H807 N813H807-G809 PolarHBondContact ND1-N 3.09Å; H807-G809 PolarHBondContact O-N 2.85Å; G809-N813 PolarHBondContact O-N 2.98Å
810A68.8Low76.9Confident0 Ų041.2 Ų41.20%023%0.23CC..Hα-helixtrans-70-37.1-178.300000112.9I804 H807 P808 L817 F852I804-A810 WeakPolarHBondContact O-CB 3.4Å; H807-A810 WeakPolarHBondContact O-CB 3.48Å; H807-A810 PolarHBondContact O-N 3.13Å; P808-A810 PolarHBondContact O-N 3.41Å; A810-L817 HydrophobicContact CB-CD1 3.88Å; A810-L817 HydrophobicContact CB-CD2 4.08Å; A810-L817 HydrophobicContact CB-CG 4.5Å; A810-F852 HydrophobicContact CB-CE1 4.45Å
811T66.8Low77.5Confident66 Ų6640.2 Ų40.241%0.40523%0.225SC..Hα-helixtrans-86-26.8-179.857.40000113.1P808P808-T811 PolarHBondContact O-N 3.11Å; P808-T811 PolarHBondContact O-OG1 3.18Å
812Q75.5Confident78Confident128 Ų12844.2 Ų44.260%0.59824%0.239SC*.Hα-helixtrans-74.2-36.3-178.7-73.3173.17.100114.3P808P808-Q812 VanDerWaalsContact O-CG 3.27Å; P808-Q812 WeakPolarHBondContact O-CG 3.31Å; P808-Q812 PolarHBondContact O-N 3.41Å
813N81.1Confident78.9Confident43 Ų4341.1 Ų41.123%0.2322%0.222CC..  trans-141.787.5-176.5-168.5-24.4000111.2G809 S815 L816 L817G809-N813 PolarHBondContact O-N 2.98Å; N813-S815 PolarHBondContact O-N 3.06Å; N813-S815 WeakPolarHBondContact OD1-CB 3.49Å; N813-S815 PolarHBondContact OD1-N 3.19Å; N813-L816 HydrophobicContact CB-CB 4.22Å; N813-L816 HydrophobicContact CB-CD1 4.07Å; N813-L816 HydrophobicContact CB-CG 4.26Å; N813-L816 VanDerWaalsContact ND2-CD1 3.31Å; N813-L816 WeakPolarHBondContact ND2-CD1 3.16Å; N813-L816 WeakPolarHBondContact ND2-CG 3.31Å; N813-L816 PolarHBondContact O-N 2.75Å; N813-L816 VanDerWaalsContact O-N 3.09Å; N813-L816 PolarHBondContact OD1-N 2.89Å; N813-L816 VanDerWaalsContact OD1-N 3.12Å; N813-L817 PolarHBondContact O-N 3.06Å
814I82.1Confident79.6Confident64 Ų6439.6 Ų39.633%0.32821%0.211SC..Hα-helixtrans-58.3-31.1179.9-60166.3000111.5P781 V784 L817 R818P781-I814 HydrophobicContact CG-CG2 4.1Å; V784-I814 HydrophobicContact CG2-CG2 4.39Å; I814-L817 PolarHBondContact O-N 3.34Å; I814-R818 WeakPolarHBondContact O-CB 3.4Å; I814-R818 PolarHBondContact O-N 2.98Å
815S84.4Confident79.9Confident93 Ų9342.9 Ų42.965%0.6523%0.232SC*.Hα-helixtrans-67.3-40.6176.8-54.50000112.2N813 L819N813-S815 PolarHBondContact O-N 3.06Å; N813-S815 WeakPolarHBondContact OD1-CB 3.49Å; N813-S815 PolarHBondContact OD1-N 3.19Å; S815-L819 PolarHBondContact O-N 3.27Å
816L86.8Confident80.4Confident5 Ų545.9 Ų45.93%0.02625%0.246CC..Hα-helixtrans-71.5-36.5172.7-69176.4000112N813 R818 L819 F820 T844 E847 C848 F852N813-L816 HydrophobicContact CB-CB 4.22Å; N813-L816 HydrophobicContact CB-CD1 4.07Å; N813-L816 HydrophobicContact CB-CG 4.26Å; N813-L816 VanDerWaalsContact ND2-CD1 3.31Å; N813-L816 WeakPolarHBondContact ND2-CD1 3.16Å; N813-L816 WeakPolarHBondContact ND2-CG 3.31Å; N813-L816 PolarHBondContact O-N 2.75Å; N813-L816 VanDerWaalsContact O-N 3.09Å; N813-L816 PolarHBondContact OD1-N 2.89Å; N813-L816 VanDerWaalsContact OD1-N 3.12Å; L816-R818 VanDerWaalsContact C-N 3.3Å; L816-R818 PolarHBondContact O-N 2.85Å; L816-L819 HydrophobicContact CD2-CD2 4.28Å; L816-L819 WeakPolarHBondContact O-CB 3.07Å; L816-L819 PolarHBondContact O-N 3.44Å; L816-F820 WeakPolarHBondContact O-CB 3.35Å; L816-F820 PolarHBondContact O-N 2.87Å; L816-T844 HydrophobicContact CD2-CG2 4.19Å; L816-E847 HydrophobicContact CD1-CG 3.87Å; L816-E847 WeakPolarHBondContact CD1-OE1 3.4Å; L816-C848 HydrophobicContact CD2-CB 3.96Å; L816-F852 HydrophobicContact CB-CE2 4.18Å
817L84.8Confident81.1Confident0 Ų043.5 Ų43.50%023%0.227CC..Hα-helixtrans-60.5-41.4173.6-179.765.4000111.6I780 V784 L788 I804 A810 N813 I814 F820 G821 F852I780-L817 HydrophobicContact CD1-CD2 3.98Å; I780-L817 HydrophobicContact CG1-CD2 4.48Å; I780-L817 HydrophobicContact CG2-CD2 4.03Å; V784-L817 HydrophobicContact CG1-CD2 4.22Å; V784-L817 HydrophobicContact CG1-CG 4.27Å; L788-L817 HydrophobicContact CD1-CD1 3.89Å; L788-L817 HydrophobicContact CD1-CD2 4.04Å; L788-L817 HydrophobicContact CD1-CG 3.9Å; L788-L817 HydrophobicContact CD2-CD1 4.25Å; I804-L817 HydrophobicContact CG2-CD1 4.08Å; A810-L817 HydrophobicContact CB-CD1 3.88Å; A810-L817 HydrophobicContact CB-CD2 4.08Å; A810-L817 HydrophobicContact CB-CG 4.5Å; N813-L817 PolarHBondContact O-N 3.06Å; I814-L817 PolarHBondContact O-N 3.34Å; L817-F820 HydrophobicContact CD1-CD1 4.48Å; L817-F820 PolarHBondContact O-N 3Å; L817-G821 PolarHBondContact O-N 3.38Å; L817-F852 HydrophobicContact CB-CZ 4.1Å; L817-F852 HydrophobicContact CD1-CE1 3.99Å; L817-F852 HydrophobicContact CD1-CZ 3.82Å
818R85.1Confident81.5Confident96 Ų9645.3 Ų45.336%0.36224%0.243SC..Hα-helixtrans-65.4-40.9174.8-168.1177.7-164.4144.919.6112.1D783 V784 E787 I814 L816 G821 R822D783-R818 IonicContact OD2-NH1 2.75Å; V784-R818 HydrophobicContact CG1-CB 4.26Å; V784-R818 HydrophobicContact CG2-CB 4.26Å; V784-R818 HydrophobicContact CG2-CG 4.18Å; E787-R818 IonicContact OE1-NE 3.17Å; E787-R818 IonicContact OE2-CZ 3.7Å; E787-R818 IonicContact OE2-NE 2.77Å; E787-R818 PolarHBondContact OE2-NE 2.99Å; E787-R818 IonicContact OE2-NH2 3.73Å; E787-R818 PolarHBondContact OE2-NH2 3.21Å; I814-R818 WeakPolarHBondContact O-CB 3.4Å; I814-R818 PolarHBondContact O-N 2.98Å; L816-R818 VanDerWaalsContact C-N 3.3Å; L816-R818 PolarHBondContact O-N 2.85Å; R818-G821 PolarHBondContact O-N 2.89Å; R818-R822 WeakPolarHBondContact O-CG 3.38Å; R818-R822 PolarHBondContact O-N 3.01Å
819L87.3Confident82.4Confident13 Ų1341.8 Ų41.87%0.06822%0.22CC..Hα-helixtrans-62.2-46.5174174.452.7000111.7S815 L816 G821 R822 I823 I840 T844 C848S815-L819 PolarHBondContact O-N 3.27Å; L816-L819 HydrophobicContact CD2-CD2 4.28Å; L816-L819 WeakPolarHBondContact O-CB 3.07Å; L816-L819 PolarHBondContact O-N 3.44Å; L819-G821 VanDerWaalsContact C-N 3.34Å; L819-G821 PolarHBondContact O-N 3.27Å; L819-R822 WeakPolarHBondContact O-CB 3.21Å; L819-R822 PolarHBondContact O-N 3.38Å; L819-I823 HydrophobicContact CD1-CD1 3.63Å; L819-I823 HydrophobicContact CD1-CG1 3.95Å; L819-I823 HydrophobicContact CG-CD1 3.68Å; L819-I823 HydrophobicContact CG-CG1 4.48Å; L819-I823 WeakPolarHBondContact O-CG1 3.34Å; L819-I823 PolarHBondContact O-N 3.44Å; L819-I840 HydrophobicContact CD1-CD1 3.28Å; L819-I840 HydrophobicContact CD2-CD1 3.98Å; L819-I840 HydrophobicContact CD2-CG2 4.38Å; L819-I840 HydrophobicContact CG-CD1 4.22Å; L819-T844 HydrophobicContact CD2-CG2 4.14Å; L819-C848 HydrophobicContact CD2-CB 3.93Å; L819-C848 HydrophobicContact CG-CB 4.33Å
820F87.3Confident83.3Confident0 Ų041.9 Ų41.90%022%0.22CC..Hα-helixtrans-54.6-49.1174.5172.9-106.5000111.4L788 I804 L816 L817 R822 I823 L824 F852 F855 L856L788-F820 HydrophobicContact CD2-CD1 4.1Å; I804-F820 HydrophobicContact CD1-CE1 3.96Å; I804-F820 HydrophobicContact CD1-CZ 4.37Å; I804-F820 HydrophobicContact CG1-CE1 4.16Å; I804-F820 HydrophobicContact CG2-CE1 3.99Å; L816-F820 WeakPolarHBondContact O-CB 3.35Å; L816-F820 PolarHBondContact O-N 2.87Å; L817-F820 HydrophobicContact CD1-CD1 4.48Å; L817-F820 PolarHBondContact O-N 3Å; F820-R822 PolarHBondContact O-N 3.07Å; F820-I823 PolarHBondContact O-N 3.01Å; F820-I823 VanDerWaalsContact O-N 3.11Å; F820-L824 HydrophobicContact CD1-CD1 4.33Å; F820-L824 HydrophobicContact CE1-CD1 3.82Å; F820-L824 HydrophobicContact CE1-CG 4.41Å; F820-L824 HydrophobicContact CE2-CD2 4.05Å; F820-L824 HydrophobicContact CE2-CG 4.37Å; F820-L824 HydrophobicContact CZ-CD1 3.97Å; F820-L824 HydrophobicContact CZ-CD2 4Å; F820-L824 HydrophobicContact CZ-CG 4.21Å; F820-L824 PolarHBondContact O-N 3.29Å; F820-L824 VanDerWaalsContact O-N 3.16Å; F820-F852 HydrophobicContact CB-CD2 3.7Å; F820-F852 HydrophobicContact CB-CE2 3.78Å; F820-F852 HydrophobicContact CB-CG 4.23Å; F820-F852 HydrophobicContact CB-CZ 4.37Å; F820-F852 HydrophobicContact CD1-CD1 4.27Å; F820-F852 HydrophobicContact CD1-CE1 4.44Å; F820-F852 HydrophobicContact CD1-CG 4.38Å; F820-F852 HydrophobicContact CD2-CB 3.65Å; F820-F852 HydrophobicContact CD2-CD1 4.35Å; F820-F852 AromaticContact CD2-CD2 3.97Å; F820-F852 HydrophobicContact CD2-CD2 3.97Å; F820-F852 AromaticContact CD2-CG 3.73Å; F820-F852 HydrophobicContact CD2-CG 3.73Å; F820-F852 HydrophobicContact CE1-CD1 4.45Å; F820-F852 HydrophobicContact CE2-CB 3.76Å; F820-F852 HydrophobicContact CE2-CG 4.15Å; F820-F852 HydrophobicContact CG-CB 4.3Å; F820-F852 HydrophobicContact CG-CD1 4.22Å; F820-F852 AromaticContact CG-CD2 3.86Å; F820-F852 HydrophobicContact CG-CD2 3.86Å; F820-F852 HydrophobicContact CG-CE2 4.24Å; F820-F852 AromaticContact CG-CG 3.86Å; F820-F852 HydrophobicContact CG-CG 3.86Å; F820-F852 HydrophobicContact CZ-CB 4.48Å; F820-F855 HydrophobicContact CE2-CB 4.25Å; F820-F855 HydrophobicContact CZ-CB 3.93Å; F820-F855 HydrophobicContact CZ-CD2 4.45Å; F820-F855 HydrophobicContact CZ-CG 4.39Å; F820-L856 HydrophobicContact CD2-CD1 4.01Å; F820-L856 HydrophobicContact CD2-CG 4.44Å; F820-L856 HydrophobicContact CE2-CD1 3.96Å; F820-L856 HydrophobicContact CE2-CD2 3.96Å; F820-L856 HydrophobicContact CE2-CG 3.87Å
821G84.3Confident84.3Confident1 Ų142 Ų421%0.0122%0.22CC..Hα-helixtrans-58.7-2817600000114.7N791 L817 R818 L819 P825N791-G821 PolarHBondContact ND2-O 2.9Å; L817-G821 PolarHBondContact O-N 3.38Å; R818-G821 PolarHBondContact O-N 2.89Å; L819-G821 VanDerWaalsContact C-N 3.34Å; L819-G821 PolarHBondContact O-N 3.27Å; G821-P825 WeakPolarHBondContact O-CD 3.47Å
822R85.3Confident85.3Confident105 Ų10541 Ų4140%0.39621%0.211SC..Hα-helixtrans-84.3-27.5176.1-72.8166.5145-110.1-6.8114.2E787 R818 L819 F820 E838E787-R822 WeakPolarHBondContact OE1-CD 3.33Å; E787-R822 VanDerWaalsContact OE1-CG 3.32Å; E787-R822 WeakPolarHBondContact OE1-CG 3.49Å; E787-R822 IonicContact OE1-CZ 2.82Å; E787-R822 IonicContact OE1-NE 3.83Å; E787-R822 PolarHBondContact OE1-NE 3.48Å; E787-R822 IonicContact OE1-NH2 3.94Å; R818-R822 WeakPolarHBondContact O-CG 3.38Å; R818-R822 PolarHBondContact O-N 3.01Å; L819-R822 WeakPolarHBondContact O-CB 3.21Å; L819-R822 PolarHBondContact O-N 3.38Å; F820-R822 PolarHBondContact O-N 3.07Å; R822-E838 WeakPolarHBondContact CD-OE2 3.25Å; R822-E838 IonicContact CZ-OE2 3.98Å; R822-E838 IonicContact NE-OE2 2.76Å; R822-E838 IonicContact NH1-OE1 3.18Å; R822-E838 IonicContact NH1-OE2 3.85Å; R822-E838 PolarHBondContact NH1-OE2 2.75Å
823I88.2Confident85.8Confident4 Ų437.1 Ų37.12%0.02119%0.193CC..Hα-helixtrans-74.5-36.1176.6-70159.3000110.9L819 F820 H826 L827 L834 L845L819-I823 HydrophobicContact CD1-CD1 3.63Å; L819-I823 HydrophobicContact CD1-CG1 3.95Å; L819-I823 HydrophobicContact CG-CD1 3.68Å; L819-I823 HydrophobicContact CG-CG1 4.48Å; L819-I823 WeakPolarHBondContact O-CG1 3.34Å; L819-I823 PolarHBondContact O-N 3.44Å; F820-I823 PolarHBondContact O-N 3.01Å; F820-I823 VanDerWaalsContact O-N 3.11Å; I823-H826 WeakPolarHBondContact O-CA 3.37Å; I823-H826 WeakPolarHBondContact O-CB 3.46Å; I823-H826 PolarHBondContact O-N 3.29Å; I823-L827 HydrophobicContact CG2-CD1 4.22Å; I823-L827 HydrophobicContact CG2-CD2 3.61Å; I823-L827 HydrophobicContact CG2-CG 3.95Å; I823-L827 PolarHBondContact O-N 3.14Å; I823-L834 HydrophobicContact CG2-CD1 4.13Å; I823-L834 HydrophobicContact CG2-CD2 4.23Å; I823-L845 HydrophobicContact CD1-CD1 3.35Å; I823-L845 HydrophobicContact CG1-CD1 4.26Å
824L85.1Confident86.3Confident15 Ų1535.2 Ų35.28%0.07918%0.183CC..G310 helixtrans-51.3-47.6-175.1-73.2175.7000114.4F706 L792 F820 H826 L827F706-L824 HydrophobicContact CE2-CD2 3.97Å; F706-L824 HydrophobicContact CZ-CD1 4.26Å; F706-L824 HydrophobicContact CZ-CD2 3.82Å; L792-L824 HydrophobicContact CD2-CD1 4.01Å; F820-L824 HydrophobicContact CD1-CD1 4.33Å; F820-L824 HydrophobicContact CE1-CD1 3.82Å; F820-L824 HydrophobicContact CE1-CG 4.41Å; F820-L824 HydrophobicContact CE2-CD2 4.05Å; F820-L824 HydrophobicContact CE2-CG 4.37Å; F820-L824 HydrophobicContact CZ-CD1 3.97Å; F820-L824 HydrophobicContact CZ-CD2 4Å; F820-L824 HydrophobicContact CZ-CG 4.21Å; F820-L824 PolarHBondContact O-N 3.29Å; F820-L824 VanDerWaalsContact O-N 3.16Å; L824-H826 PolarHBondContact O-N 3.46Å; L824-L827 HydrophobicContact CD2-CD1 4.32Å; L824-L827 PolarHBondContact O-N 3.4Å
825P84.2Confident86.7Confident68 Ų6833.7 Ų33.744%0.44218%0.175SC..G310 helixtrans-67.30.5176-21.134.2000115.7N791 G821N791-P825 HydrophobicContact CB-CG 3.66Å; N791-P825 VanDerWaalsContact ND2-CG 3.33Å; N791-P825 WeakPolarHBondContact ND2-CG 3.36Å; G821-P825 WeakPolarHBondContact O-CD 3.47Å
826H84.3Confident86.8Confident65 Ų6532.6 Ų32.630%0.30116%0.158SC..G310 helixtrans-115.6-1179.7-67.1-15.2000112.9I823 L824 A829 L834 K837I823-H826 WeakPolarHBondContact O-CA 3.37Å; I823-H826 WeakPolarHBondContact O-CB 3.46Å; I823-H826 PolarHBondContact O-N 3.29Å; L824-H826 PolarHBondContact O-N 3.46Å; H826-A829 WeakPolarHBondContact O-CB 3.4Å; H826-L834 HydrophobicContact CB-CD2 3.51Å; H826-K837 HydrophobicContact CB-CD 4.44Å
827L85.4Confident86.8Confident25 Ų2536 Ų3613%0.13117%0.173CC..  trans-87.2146.7175.2-54.9-173.4000111.4I702 P704 I823 L824 L834 L856I702-L827 HydrophobicContact CB-CD2 3.87Å; I702-L827 HydrophobicContact CG2-CD1 4.06Å; I702-L827 HydrophobicContact CG2-CD2 4.02Å; P704-L827 HydrophobicContact CB-CD1 4.48Å; P704-L827 HydrophobicContact CG-CB 4.49Å; I823-L827 HydrophobicContact CG2-CD1 4.22Å; I823-L827 HydrophobicContact CG2-CD2 3.61Å; I823-L827 HydrophobicContact CG2-CG 3.95Å; I823-L827 PolarHBondContact O-N 3.14Å; L824-L827 HydrophobicContact CD2-CD1 4.32Å; L824-L827 PolarHBondContact O-N 3.4Å; L827-L834 HydrophobicContact CD2-CD1 3.86Å; L827-L834 HydrophobicContact CD2-CD2 4.49Å; L827-L856 HydrophobicContact CD1-CD2 3.52Å
828P86Confident87Confident84 Ų8438 Ų3855%0.54518%0.182SC..SBendcis-76.7134.9-2.431.8-34.9000112.8I702 F703I702-P828 WeakPolarHBondContact O-CA 3.36Å; F703-P828 HydrophobicContact CD1-CB 3.56Å; F703-P828 HydrophobicContact CD1-CG 4.46Å; F703-P828 HydrophobicContact CE1-CB 3.53Å; F703-P828 HydrophobicContact CE1-CG 4.31Å; F703-P828 HydrophobicContact CG-CB 4.32Å; F703-P828 HydrophobicContact CZ-CB 4.28Å
829A88.2Confident87.2Confident1 Ų142.4 Ų42.41%0.00820%0.204CC..EExtended strand (participates in β ladder)trans-150.7159.5177.400000112.9Y701 I702 H826 L834Y701-A829 WeakPolarHBondContact CA-O 3.12Å; Y701-A829 VanDerWaalsContact CD1-C 3.49Å; I702-A829 PolarHBondContact N-O 3.18Å; I702-A829 PolarHBondContact O-N 3.47Å; H826-A829 WeakPolarHBondContact O-CB 3.4Å; A829-L834 HydrophobicContact CB-CD1 4.21Å; A829-L834 HydrophobicContact CB-CD2 4.06Å; A829-L834 HydrophobicContact CB-CG 3.94Å
830H88.4Confident87.4Confident4 Ų444 Ų442%0.01921%0.212CC..EExtended strand (participates in β ladder)trans-75140.5171.7168.7-137.4000111.3Y594 H699 L700 Y701 E832 E833 L834Y594-H830 AromaticContact CE1-CE1 3.47Å; Y594-H830 VanDerWaalsContact CE1-CE1 3.47Å; Y594-H830 WeakPolarHBondContact CE1-CE1 3.38Å; Y594-H830 AromaticContact CE1-ND1 3.7Å; Y594-H830 AromaticContact CZ-CE1 3.59Å; Y594-H830 AromaticContact CZ-ND1 3.44Å; Y594-H830 PolarHBondContact OH-ND1 3.27Å; H699-H830 AromaticContact CE1-CE1 3.83Å; H699-H830 AromaticContact CG-CE1 3.71Å; H699-H830 AromaticContact CG-NE2 3.67Å; H699-H830 AromaticContact ND1-CD2 3.87Å; H699-H830 AromaticContact ND1-CE1 2.99Å; H699-H830 PolarHBondContact ND1-CE1 2.98Å; H699-H830 AromaticContact ND1-ND1 3.8Å; H699-H830 AromaticContact ND1-NE2 3.03Å; H699-H830 PolarHBondContact ND1-NE2 2.82Å; L700-H830 PolarHBondContact O-CD2 2.95Å; Y701-H830 HydrophobicContact CD1-CB 4.38Å; Y701-H830 HydrophobicContact CD2-CB 4.34Å; Y701-H830 HydrophobicContact CE1-CB 4.06Å; Y701-H830 HydrophobicContact CE2-CB 4.04Å; H830-E832 VanDerWaalsContact C-N 3.33Å; H830-E832 WeakPolarHBondContact CE1-CB 3.42Å; H830-E832 WeakPolarHBondContact CE1-CG 3.25Å; H830-E832 PolarHBondContact O-N 2.89Å; H830-E833 WeakPolarHBondContact O-CB 3.29Å; H830-E833 PolarHBondContact O-N 3.3Å; H830-L834 PolarHBondContact O-N 2.88Å; H830-L834 VanDerWaalsContact O-N 3.16Å
831L90.1Very high87.5Confident1 Ų151.7 Ų51.71%0.00525%0.245CC..Hα-helixtrans-41.4-49.7175.1-16778.5000114.6L700 I702 E833 L834 M835 R842 L845 I849L700-L831 HydrophobicContact CB-CB 4.42Å; L700-L831 HydrophobicContact CD2-CD2 4.39Å; L700-L831 PolarHBondContact O-N 2.86Å; I702-L831 HydrophobicContact CD1-CD1 4.14Å; L831-E833 PolarHBondContact O-N 3.48Å; L831-L834 PolarHBondContact O-N 3.32Å; L831-M835 HydrophobicContact CD2-SD 4.47Å; L831-M835 HydrophobicContact CG-SD 4.22Å; L831-M835 WeakPolarHBondContact O-CG 3.31Å; L831-M835 PolarHBondContact O-N 2.68Å; L831-R842 HydrophobicContact CD2-CG 4.11Å; L831-R842 VanDerWaalsContact CD2-CZ 3.42Å; L831-L845 HydrophobicContact CD1-CD2 3.48Å; L831-L845 VanDerWaalsContact CD1-CD2 3.48Å; L831-L845 HydrophobicContact CD1-CG 3.81Å; L831-L845 HydrophobicContact CG-CD2 4Å; L831-I849 HydrophobicContact CD1-CD1 3.57Å
832E87.1Confident87.8Confident47 Ų4756.4 Ų56.422%0.2226%0.263CS..Hα-helixtrans-72-27.8-177.9-58.6-66.5148.400112.8Y594 H830 M835 F836 R842Y594-E832 HydrophobicContact CE1-CB 4.08Å; Y594-E832 HydrophobicContact CE1-CG 4.42Å; H830-E832 VanDerWaalsContact C-N 3.33Å; H830-E832 WeakPolarHBondContact CE1-CB 3.42Å; H830-E832 WeakPolarHBondContact CE1-CG 3.25Å; H830-E832 PolarHBondContact O-N 2.89Å; E832-M835 WeakPolarHBondContact OE2-CE 3.26Å; E832-F836 WeakPolarHBondContact O-CB 3.31Å; E832-F836 PolarHBondContact O-N 3.49Å; E832-R842 IonicContact OE1-CZ 2.75Å; E832-R842 IonicContact OE1-NH1 3.73Å; E832-R842 PolarHBondContact OE1-NH1 2.96Å
833E87.1Confident88.1Confident45 Ų4555.3 Ų55.321%0.2127%0.271CS..Hα-helixtrans-67.9-39.5173-167.9-172.6174.100110.5Y526 H830 L831 F836 K837Y526-E833 HydrophobicContact CE1-CB 4.31Å; Y526-E833 HydrophobicContact CE1-CG 4.31Å; H830-E833 WeakPolarHBondContact O-CB 3.29Å; H830-E833 PolarHBondContact O-N 3.3Å; L831-E833 PolarHBondContact O-N 3.48Å; E833-F836 PolarHBondContact O-N 2.84Å; E833-K837 VanDerWaalsContact CD-NZ 3.28Å; E833-K837 HydrophobicContact CG-CD 4.24Å; E833-K837 WeakPolarHBondContact O-CB 3.45Å; E833-K837 WeakPolarHBondContact O-CG 3.46Å; E833-K837 PolarHBondContact O-N 3.48Å; E833-K837 WeakPolarHBondContact OE1-CE 3.38Å; E833-K837 IonicContact OE1-NZ 3.56Å; E833-K837 PolarHBondContact OE1-NZ 2.82Å; E833-K837 IonicContact OE2-NZ 3.62Å
834L90.9Very high88.3Confident3 Ų357.6 Ų57.62%0.01629%0.286CS..Hα-helixtrans-68.3-43.2175.3-66.3168.3000111.8I702 I823 H826 L827 A829 H830 L831 F836 K837 E838 L845I702-L834 HydrophobicContact CD1-CD1 3.62Å; I702-L834 HydrophobicContact CG1-CD1 4.41Å; I823-L834 HydrophobicContact CG2-CD1 4.13Å; I823-L834 HydrophobicContact CG2-CD2 4.23Å; H826-L834 HydrophobicContact CB-CD2 3.51Å; L827-L834 HydrophobicContact CD2-CD1 3.86Å; L827-L834 HydrophobicContact CD2-CD2 4.49Å; A829-L834 HydrophobicContact CB-CD1 4.21Å; A829-L834 HydrophobicContact CB-CD2 4.06Å; A829-L834 HydrophobicContact CB-CG 3.94Å; H830-L834 PolarHBondContact O-N 2.88Å; H830-L834 VanDerWaalsContact O-N 3.16Å; L831-L834 PolarHBondContact O-N 3.32Å; L834-F836 PolarHBondContact O-N 3.33Å; L834-K837 PolarHBondContact O-N 2.77Å; L834-E838 PolarHBondContact O-N 2.91Å; L834-L845 HydrophobicContact CB-CD2 3.98Å
835M89.9Confident88.6Confident32 Ų3257 Ų5716%0.15828%0.283CS..Hα-helixtrans-57-39171.8-73.5171.341.400111.9L831 E832 K839 I840 R842 L845L831-M835 HydrophobicContact CD2-SD 4.47Å; L831-M835 HydrophobicContact CG-SD 4.22Å; L831-M835 WeakPolarHBondContact O-CG 3.31Å; L831-M835 PolarHBondContact O-N 2.68Å; E832-M835 WeakPolarHBondContact OE2-CE 3.26Å; M835-K839 CarbonylContact O-C 3.59Å; M835-K839 WeakPolarHBondContact O-CA 3.2Å; M835-K839 PolarHBondContact O-N 3.3Å; M835-I840 PolarHBondContact O-N 2.76Å; M835-R842 HydrophobicContact CE-CB 3.79Å; M835-R842 HydrophobicContact CE-CG 4.44Å; M835-R842 HydrophobicContact SD-CB 3.56Å; M835-R842 VanDerWaalsContact SD-CB 3.56Å; M835-R842 HydrophobicContact SD-CG 3.74Å; M835-L845 HydrophobicContact CG-CD2 3.54Å
836F86.9Confident89Confident70 Ų7055.9 Ų55.931%0.30727%0.274SS..Hα-helixtrans-74-44.8178-178.4-97.9000113.2P525 Y526 E832 E833 L834P525-F836 HydrophobicContact CB-CE2 4.01Å; P525-F836 HydrophobicContact CB-CZ 4.17Å; P525-F836 HydrophobicContact CG-CE2 4.12Å; P525-F836 HydrophobicContact CG-CZ 3.76Å; Y526-F836 HydrophobicContact CD1-CB 3.58Å; Y526-F836 HydrophobicContact CD1-CD1 4.09Å; Y526-F836 AromaticContact CD1-CD2 4Å; Y526-F836 HydrophobicContact CD1-CD2 4Å; Y526-F836 AromaticContact CD1-CG 3.61Å; Y526-F836 HydrophobicContact CD1-CG 3.61Å; Y526-F836 HydrophobicContact CE1-CB 3.97Å; Y526-F836 HydrophobicContact CE1-CD1 4.19Å; Y526-F836 HydrophobicContact CE1-CG 4.11Å; E832-F836 WeakPolarHBondContact O-CB 3.31Å; E832-F836 PolarHBondContact O-N 3.49Å; E833-F836 PolarHBondContact O-N 2.84Å; L834-F836 PolarHBondContact O-N 3.33Å
837K87.6Confident89.3Confident78 Ų7856.6 Ų56.634%0.33928%0.278SS..Hα-helixtrans-60.7-55.4178.6-79.1173.4177.7163.70111.6H826 E833 L834 K839H826-K837 HydrophobicContact CB-CD 4.44Å; E833-K837 VanDerWaalsContact CD-NZ 3.28Å; E833-K837 HydrophobicContact CG-CD 4.24Å; E833-K837 WeakPolarHBondContact O-CB 3.45Å; E833-K837 WeakPolarHBondContact O-CG 3.46Å; E833-K837 PolarHBondContact O-N 3.48Å; E833-K837 WeakPolarHBondContact OE1-CE 3.38Å; E833-K837 IonicContact OE1-NZ 3.56Å; E833-K837 PolarHBondContact OE1-NZ 2.82Å; E833-K837 IonicContact OE2-NZ 3.62Å; L834-K837 PolarHBondContact O-N 2.77Å; K837-K839 VanDerWaalsContact C-N 3.34Å
838E87.6Confident89.6Confident41 Ų4155.4 Ų55.419%0.19227%0.272CS..Hα-helixtrans-83-9.4-178.5-72.3-61.1106.500113.6R822 L834 I840R822-E838 WeakPolarHBondContact CD-OE2 3.25Å; R822-E838 IonicContact CZ-OE2 3.98Å; R822-E838 IonicContact NE-OE2 2.76Å; R822-E838 IonicContact NH1-OE1 3.18Å; R822-E838 IonicContact NH1-OE2 3.85Å; R822-E838 PolarHBondContact NH1-OE2 2.75Å; L834-E838 PolarHBondContact O-N 2.91Å; E838-I840 HydrophobicContact CB-CD1 3.78Å; E838-I840 HydrophobicContact CB-CG1 4.15Å
839K89.7Confident89.7Confident189 Ų18952.3 Ų52.382%0.82225%0.25SS*.THydrogen-bonded Turntrans61.745-178.7-54.8176-177.3174.70113.3M835 K837M835-K839 CarbonylContact O-C 3.59Å; M835-K839 WeakPolarHBondContact O-CA 3.2Å; M835-K839 PolarHBondContact O-N 3.3Å; K837-K839 VanDerWaalsContact C-N 3.34Å
840I91.2Very high89.8Confident45 Ų4558.8 Ų58.823%0.23128%0.28CS..  trans-115.8145.5-170-75.1173.3000112.5L819 M835 E838 T844 L845L819-I840 HydrophobicContact CD1-CD1 3.28Å; L819-I840 HydrophobicContact CD2-CD1 3.98Å; L819-I840 HydrophobicContact CD2-CG2 4.38Å; L819-I840 HydrophobicContact CG-CD1 4.22Å; M835-I840 PolarHBondContact O-N 2.76Å; E838-I840 HydrophobicContact CB-CD1 3.78Å; E838-I840 HydrophobicContact CB-CG1 4.15Å; I840-T844 HydrophobicContact CG2-CG2 4.23Å; I840-L845 HydrophobicContact CG2-CB 4.3Å
841K90.5Very high89.8Confident162 Ų16261.8 Ų61.870%0.70429%0.291SS*.  trans-68.5139.5177.1-65.5-177.7179.8-1800110.9S843 T844 L845K841-S843 PolarHBondContact O-N 3.24Å; K841-S843 VanDerWaalsContact O-N 3.13Å; K841-T844 PolarHBondContact O-N 3.32Å; K841-L845 PolarHBondContact O-N 2.91Å; K841-L845 VanDerWaalsContact O-N 3.14Å
842R89.9Confident89.7Confident101 Ų10161.7 Ų61.738%0.38129%0.291SS..Hα-helixtrans-49.4-41.6180-168.3167.7174.5132.8-4.1113.8L831 E832 M835 L845 V846L831-R842 HydrophobicContact CD2-CG 4.11Å; L831-R842 VanDerWaalsContact CD2-CZ 3.42Å; E832-R842 IonicContact OE1-CZ 2.75Å; E832-R842 IonicContact OE1-NH1 3.73Å; E832-R842 PolarHBondContact OE1-NH1 2.96Å; M835-R842 HydrophobicContact CE-CB 3.79Å; M835-R842 HydrophobicContact CE-CG 4.44Å; M835-R842 HydrophobicContact SD-CB 3.56Å; M835-R842 VanDerWaalsContact SD-CB 3.56Å; M835-R842 HydrophobicContact SD-CG 3.74Å; R842-L845 PolarHBondContact O-N 3.45Å; R842-V846 HydrophobicContact CG-CG2 4.34Å; R842-V846 WeakPolarHBondContact O-CB 3.49Å; R842-V846 VanDerWaalsContact O-CG2 3.29Å; R842-V846 WeakPolarHBondContact O-CG2 3.42Å; R842-V846 PolarHBondContact O-N 3.39Å
843S92Very high89.6Confident81 Ų8161.8 Ų61.857%0.56630%0.3SS*.Hα-helixtrans-60.8-44.7178.653.50000113.1K841 V846 E847K841-S843 PolarHBondContact O-N 3.24Å; K841-S843 VanDerWaalsContact O-N 3.13Å; S843-V846 PolarHBondContact O-N 2.98Å; S843-E847 WeakPolarHBondContact O-CB 3.35Å; S843-E847 PolarHBondContact O-N 2.81Å
844T92.7Very high89.5Confident53 Ų5363.6 Ų63.633%0.32532%0.315SS..Hα-helixtrans-70.5-33.3179.1-53.10000111.9L816 L819 I840 K841 C848L816-T844 HydrophobicContact CD2-CG2 4.19Å; L819-T844 HydrophobicContact CD2-CG2 4.14Å; I840-T844 HydrophobicContact CG2-CG2 4.23Å; K841-T844 PolarHBondContact O-N 3.32Å; T844-C848 WeakPolarHBondContact O-CB 3.4Å; T844-C848 PolarHBondContact O-N 3.05Å; T844-C848 VanDerWaalsContact O-N 3.1Å
845L91.8Very high89.3Confident3 Ų364.5 Ų64.52%0.01632%0.319CS..Hα-helixtrans-69.7-41.2173.2-176.658.2000111.5I823 L831 L834 M835 I840 K841 R842 C848 I849I823-L845 HydrophobicContact CD1-CD1 3.35Å; I823-L845 HydrophobicContact CG1-CD1 4.26Å; L831-L845 HydrophobicContact CD1-CD2 3.48Å; L831-L845 VanDerWaalsContact CD1-CD2 3.48Å; L831-L845 HydrophobicContact CD1-CG 3.81Å; L831-L845 HydrophobicContact CG-CD2 4Å; L834-L845 HydrophobicContact CB-CD2 3.98Å; M835-L845 HydrophobicContact CG-CD2 3.54Å; I840-L845 HydrophobicContact CG2-CB 4.3Å; K841-L845 PolarHBondContact O-N 2.91Å; K841-L845 VanDerWaalsContact O-N 3.14Å; R842-L845 PolarHBondContact O-N 3.45Å; L845-C848 VanDerWaalsContact O-CB 3.31Å; L845-C848 WeakPolarHBondContact O-CB 3.36Å; L845-C848 PolarHBondContact O-N 3.43Å; L845-I849 HydrophobicContact CG-CD1 4.13Å; L845-I849 WeakPolarHBondContact O-CD1 3.49Å; L845-I849 VanDerWaalsContact O-CG1 3.25Å; L845-I849 WeakPolarHBondContact O-CG1 3.35Å; L845-I849 PolarHBondContact O-N 3.09Å
846V91.6Very high89.2Confident44 Ų4463.4 Ų63.427%0.26731%0.314SS..Hα-helixtrans-63.9-45174.4170.20000111.4R842 S843 C848 I849 E850R842-V846 HydrophobicContact CG-CG2 4.34Å; R842-V846 WeakPolarHBondContact O-CB 3.49Å; R842-V846 VanDerWaalsContact O-CG2 3.29Å; R842-V846 WeakPolarHBondContact O-CG2 3.42Å; R842-V846 PolarHBondContact O-N 3.39Å; S843-V846 PolarHBondContact O-N 2.98Å; V846-C848 PolarHBondContact O-N 3.24Å; V846-I849 PolarHBondContact O-N 3.42Å; V846-I849 VanDerWaalsContact O-N 3.07Å; V846-E850 HydrophobicContact CG1-CG 4.21Å; V846-E850 VanDerWaalsContact CG1-OE1 3.26Å; V846-E850 WeakPolarHBondContact CG1-OE1 3.32Å; V846-E850 WeakPolarHBondContact O-CG 3.5Å; V846-E850 PolarHBondContact O-N 3.02Å
847E91.3Very high89.3Confident80 Ų8062.1 Ų62.137%0.37432%0.316SS..Hα-helixtrans-58.3-36.2174.2-167.7-166.7165.400112L816 S843 R851L816-E847 HydrophobicContact CD1-CG 3.87Å; L816-E847 WeakPolarHBondContact CD1-OE1 3.4Å; S843-E847 WeakPolarHBondContact O-CB 3.35Å; S843-E847 PolarHBondContact O-N 2.81Å; E847-R851 WeakPolarHBondContact O-CB 3.2Å; E847-R851 PolarHBondContact O-N 3.4Å; E847-R851 IonicContact OE1-NH1 2.67Å; E847-R851 PolarHBondContact OE1-NH1 3.26Å; E847-R851 VanDerWaalsContact OE1-NH1 3.17Å
848C90.3Very high89.5Confident0 Ų061.8 Ų61.80%032%0.321CS..Hα-helixtrans-64.7-47.3173.8-164.70000111.7L816 L819 T844 L845 V846 R851 F852L816-C848 HydrophobicContact CD2-CB 3.96Å; L819-C848 HydrophobicContact CD2-CB 3.93Å; L819-C848 HydrophobicContact CG-CB 4.33Å; T844-C848 WeakPolarHBondContact O-CB 3.4Å; T844-C848 PolarHBondContact O-N 3.05Å; T844-C848 VanDerWaalsContact O-N 3.1Å; L845-C848 VanDerWaalsContact O-CB 3.31Å; L845-C848 WeakPolarHBondContact O-CB 3.36Å; L845-C848 PolarHBondContact O-N 3.43Å; V846-C848 PolarHBondContact O-N 3.24Å; C848-R851 PolarHBondContact O-N 3.03Å; C848-F852 WeakPolarHBondContact O-CD2 3.46Å; C848-F852 PolarHBondContact O-N 3.1Å
849I89.5Confident89.7Confident18 Ų1861.4 Ų61.49%0.09232%0.324CS..Hα-helixtrans-63-47.8179.6-63.6158.1000110.7I702 L831 L845 V846 R851 F852 A853 T858I702-I849 HydrophobicContact CD1-CD1 3.35Å; I702-I849 HydrophobicContact CD1-CG1 3.81Å; I702-I849 HydrophobicContact CG1-CD1 4.24Å; L831-I849 HydrophobicContact CD1-CD1 3.57Å; L845-I849 HydrophobicContact CG-CD1 4.13Å; L845-I849 WeakPolarHBondContact O-CD1 3.49Å; L845-I849 VanDerWaalsContact O-CG1 3.25Å; L845-I849 WeakPolarHBondContact O-CG1 3.35Å; L845-I849 PolarHBondContact O-N 3.09Å; V846-I849 PolarHBondContact O-N 3.42Å; V846-I849 VanDerWaalsContact O-N 3.07Å; I849-R851 VanDerWaalsContact C-N 3.34Å; I849-R851 PolarHBondContact O-N 3.46Å; I849-F852 CarbonylContact O-C 3.49Å; I849-F852 PolarHBondContact O-N 3.47Å; I849-A853 WeakPolarHBondContact O-CA 3.49Å; I849-A853 PolarHBondContact O-N 3.14Å; I849-T858 HydrophobicContact CG2-CG2 3.83Å
850E89.6Confident89.7Confident138 Ų13860.3 Ų60.365%0.64532%0.315SS*.Hα-helixtrans-61.1-42.1178.5-70.5171.7175.200111.5V846 F852V846-E850 HydrophobicContact CG1-CG 4.21Å; V846-E850 VanDerWaalsContact CG1-OE1 3.26Å; V846-E850 WeakPolarHBondContact CG1-OE1 3.32Å; V846-E850 WeakPolarHBondContact O-CG 3.5Å; V846-E850 PolarHBondContact O-N 3.02Å; E850-F852 VanDerWaalsContact C-N 3.35Å; E850-F852 PolarHBondContact O-N 3.35Å
851R88.8Confident89.7Confident66 Ų6660.8 Ų60.825%0.24932%0.318CS..Hα-helixtrans-74.7-18.7179.4-172.7171.1-116.5125.3-2.8114.2H807 E847 C848 I849H807-R851 PolarHBondContact CE1-O 3.03Å; H807-R851 PolarHBondContact ND1-O 2.8Å; E847-R851 WeakPolarHBondContact O-CB 3.2Å; E847-R851 PolarHBondContact O-N 3.4Å; E847-R851 IonicContact OE1-NH1 2.67Å; E847-R851 PolarHBondContact OE1-NH1 3.26Å; E847-R851 VanDerWaalsContact OE1-NH1 3.17Å; C848-R851 PolarHBondContact O-N 3.03Å; I849-R851 VanDerWaalsContact C-N 3.34Å; I849-R851 PolarHBondContact O-N 3.46Å
852F87.5Confident89.6Confident0 Ų054.9 Ų54.90%030%0.296CS..THydrogen-bonded Turntrans-118.819.1176.7-66-73.5000113.6A810 L816 L817 F820 C848 I849 E850 P854 F855 L856A810-F852 HydrophobicContact CB-CE1 4.45Å; L816-F852 HydrophobicContact CB-CE2 4.18Å; L817-F852 HydrophobicContact CB-CZ 4.1Å; L817-F852 HydrophobicContact CD1-CE1 3.99Å; L817-F852 HydrophobicContact CD1-CZ 3.82Å; F820-F852 HydrophobicContact CB-CD2 3.7Å; F820-F852 HydrophobicContact CB-CE2 3.78Å; F820-F852 HydrophobicContact CB-CG 4.23Å; F820-F852 HydrophobicContact CB-CZ 4.37Å; F820-F852 HydrophobicContact CD1-CD1 4.27Å; F820-F852 HydrophobicContact CD1-CE1 4.44Å; F820-F852 HydrophobicContact CD1-CG 4.38Å; F820-F852 HydrophobicContact CD2-CB 3.65Å; F820-F852 HydrophobicContact CD2-CD1 4.35Å; F820-F852 AromaticContact CD2-CD2 3.97Å; F820-F852 HydrophobicContact CD2-CD2 3.97Å; F820-F852 AromaticContact CD2-CG 3.73Å; F820-F852 HydrophobicContact CD2-CG 3.73Å; F820-F852 HydrophobicContact CE1-CD1 4.45Å; F820-F852 HydrophobicContact CE2-CB 3.76Å; F820-F852 HydrophobicContact CE2-CG 4.15Å; F820-F852 HydrophobicContact CG-CB 4.3Å; F820-F852 HydrophobicContact CG-CD1 4.22Å; F820-F852 AromaticContact CG-CD2 3.86Å; F820-F852 HydrophobicContact CG-CD2 3.86Å; F820-F852 HydrophobicContact CG-CE2 4.24Å; F820-F852 AromaticContact CG-CG 3.86Å; F820-F852 HydrophobicContact CG-CG 3.86Å; F820-F852 HydrophobicContact CZ-CB 4.48Å; C848-F852 WeakPolarHBondContact O-CD2 3.46Å; C848-F852 PolarHBondContact O-N 3.1Å; I849-F852 CarbonylContact O-C 3.49Å; I849-F852 PolarHBondContact O-N 3.47Å; E850-F852 VanDerWaalsContact C-N 3.35Å; E850-F852 PolarHBondContact O-N 3.35Å; F852-P854 VanDerWaalsContact C-N 3.31Å; F852-P854 VanDerWaalsContact O-N 3.17Å; F852-F855 HydrophobicContact CB-CD2 4.49Å; F852-F855 HydrophobicContact CD1-CD2 4.23Å; F852-F855 PolarHBondContact O-N 3.03Å; F852-L856 HydrophobicContact CB-CD1 4.09Å; F852-L856 PolarHBondContact O-N 3.03Å
853A86.4Confident89.6Confident49 Ų4950.4 Ų50.441%0.40528%0.28SS..G310 helixtrans-51.9-33.8179.400000115.4I849 F855 L856I849-A853 WeakPolarHBondContact O-CA 3.49Å; I849-A853 PolarHBondContact O-N 3.14Å; A853-F855 PolarHBondContact O-N 3.13Å; A853-L856 PolarHBondContact O-N 2.9Å; A853-L856 VanDerWaalsContact O-N 3.11Å; A853-L856 VanDerWaalsContact O-O 3.1Å
854P85Confident89.4Confident82 Ų8247.1 Ų47.153%0.53226%0.256SS..G310 helixtrans-59-18.7172.6-2737.1000114.8F852F852-P854 VanDerWaalsContact C-N 3.31Å; F852-P854 VanDerWaalsContact O-N 3.17Å
855F85.2Confident89.3Confident23 Ų2344.9 Ų44.910%0.10124%0.243CC..G310 helixtrans-112.4-3.6178.4-49.2-70.5000113.1T705 F706 I804 H807 F820 F852 A853T705-F855 PolarHBondContact N-O 2.89Å; T705-F855 PolarHBondContact OG1-O 3.05Å; F706-F855 HydrophobicContact CE1-CB 4.22Å; F706-F855 HydrophobicContact CE1-CD1 4.43Å; I804-F855 HydrophobicContact CB-CZ 4.46Å; I804-F855 HydrophobicContact CG1-CD1 4.03Å; I804-F855 HydrophobicContact CG1-CD2 4.25Å; I804-F855 HydrophobicContact CG1-CE1 3.93Å; I804-F855 HydrophobicContact CG1-CE2 4.17Å; I804-F855 HydrophobicContact CG1-CG 4.19Å; I804-F855 HydrophobicContact CG1-CZ 4.01Å; H807-F855 HydrophobicContact CB-CE2 3.91Å; H807-F855 HydrophobicContact CB-CZ 4.19Å; F820-F855 HydrophobicContact CE2-CB 4.25Å; F820-F855 HydrophobicContact CZ-CB 3.93Å; F820-F855 HydrophobicContact CZ-CD2 4.45Å; F820-F855 HydrophobicContact CZ-CG 4.39Å; F852-F855 HydrophobicContact CB-CD2 4.49Å; F852-F855 HydrophobicContact CD1-CD2 4.23Å; F852-F855 PolarHBondContact O-N 3.03Å; A853-F855 PolarHBondContact O-N 3.13Å
856L88.3Confident89.4Confident9 Ų945.3 Ų45.35%0.04725%0.246CC..EExtended strand (participates in β ladder)trans-133.3111.2-172.4-64.7178.2000111.8I702 F703 T705 F820 L827 F852 A853I702-L856 HydrophobicContact CG2-CB 4.27Å; I702-L856 HydrophobicContact CG2-CD1 4.44Å; I702-L856 HydrophobicContact CG2-CD2 4Å; I702-L856 HydrophobicContact CG2-CG 4.48Å; F703-L856 WeakPolarHBondContact O-CA 3.4Å; T705-L856 VanDerWaalsContact OG1-C 3.28Å; T705-L856 PolarHBondContact OG1-N 2.84Å; F820-L856 HydrophobicContact CD2-CD1 4.01Å; F820-L856 HydrophobicContact CD2-CG 4.44Å; F820-L856 HydrophobicContact CE2-CD1 3.96Å; F820-L856 HydrophobicContact CE2-CD2 3.96Å; F820-L856 HydrophobicContact CE2-CG 3.87Å; L827-L856 HydrophobicContact CD1-CD2 3.52Å; F852-L856 HydrophobicContact CB-CD1 4.09Å; F852-L856 PolarHBondContact O-N 3.03Å; A853-L856 PolarHBondContact O-N 2.9Å; A853-L856 VanDerWaalsContact O-N 3.11Å; A853-L856 VanDerWaalsContact O-O 3.1Å
857A89.9Confident89.3Confident42 Ų4243.3 Ų43.335%0.34723%0.233SC..EExtended strand (participates in β ladder)trans-84.5148.616800000109.6I702 F703 T705I702-A857 WeakPolarHBondContact CA-O 3.4Å; F703-A857 HydrophobicContact CB-CB 4.34Å; F703-A857 PolarHBondContact N-O 2.82Å; F703-A857 PolarHBondContact O-N 3.3Å; T705-A857 PolarHBondContact OG1-N 2.84Å
858T90.9Very high89.3Confident71 Ų7139.5 Ų39.544%0.43622%0.216SC..EExtended strand (participates in β ladder)trans-126140.5171.367.30000110.7Y701 I702 I849Y701-T858 CarbonylContact O-C 3.5Å; Y701-T858 VanDerWaalsContact O-CA 3.25Å; Y701-T858 WeakPolarHBondContact O-CA 3.21Å; I702-T858 HydrophobicContact CG1-CG2 4.32Å; I849-T858 HydrophobicContact CG2-CG2 3.83Å
859A91.3Very high89.3Confident33 Ų3339.7 Ų39.727%0.27322%0.217SC..EExtended strand (participates in β ladder)trans-135.1149.9177.500000110.2Y701 F703 L861Y701-A859 PolarHBondContact N-O 3.28Å; Y701-A859 PolarHBondContact O-N 2.85Å; F703-A859 HydrophobicContact CD2-CB 4.49Å; F703-A859 HydrophobicContact CE2-CB 3.95Å; A859-L861 HydrophobicContact CB-CD1 4.38Å; A859-L861 HydrophobicContact CB-CG 4.16Å
860R90.3Very high89.3Confident166 Ų16639.2 Ų39.263%0.62622%0.215SC*.EExtended strand (participates in β ladder)trans-97.8107.9175.1-67.5-164.5-174.488.5-7.1108.5M601 I698 H699 L700M601-R860 HydrophobicContact CE-CB 4.02Å; M601-R860 HydrophobicContact CE-CG 4.33Å; M601-R860 VanDerWaalsContact SD-CD 3.53Å; I698-R860 HydrophobicContact CG2-CB 3.77Å; H699-R860 WeakPolarHBondContact O-CA 3.34Å; L700-R860 HydrophobicContact CD1-CG 4.1Å
861L90.4Very high89.1Confident55 Ų5532.6 Ų32.629%0.28818%0.184SC..EExtended strand (participates in β ladder)trans-127.6151.3-173-62175.3000111.3H699 Y701 F703 A859 D863H699-L861 PolarHBondContact N-O 3.33Å; H699-L861 PolarHBondContact O-N 3.29Å; Y701-L861 HydrophobicContact CD2-CB 3.77Å; Y701-L861 HydrophobicContact CD2-CD1 4.39Å; Y701-L861 HydrophobicContact CD2-CG 4.48Å; Y701-L861 HydrophobicContact CE2-CB 4.16Å; Y701-L861 HydrophobicContact CG-CB 4.48Å; Y701-L861 HydrophobicContact CG-CD1 4.3Å; F703-L861 HydrophobicContact CE2-CD1 4.04Å; F703-L861 HydrophobicContact CZ-CD1 3.66Å; A859-L861 HydrophobicContact CB-CD1 4.38Å; A859-L861 HydrophobicContact CB-CG 4.16Å; L861-D863 PolarHBondContact O-N 3.28Å
862P90.2Very high89Confident38 Ų3830.5 Ų30.525%0.24718%0.178CC..EExtended strand (participates in β ladder)trans-62.2133.616927.3-34.4000110.4I696 I698 P864 S867 I872I696-P862 HydrophobicContact CD1-CB 4.2Å; I698-P862 HydrophobicContact CD1-CB 3.93Å; P862-P864 WeakPolarHBondContact O-CD 3.27Å; P862-S867 WeakPolarHBondContact CB-OG 3.34Å; P862-I872 HydrophobicContact CB-CD1 3.81Å; P862-I872 HydrophobicContact CB-CG2 4.37Å; P862-I872 HydrophobicContact CG-CD1 4.01Å; P862-I872 HydrophobicContact CG-CG2 4.1Å
863D88.7Confident88.6Confident7 Ų732.9 Ų32.94%0.03719%0.193CC..  trans-74.4127.5172.815468.6000110.3Y594 H699 L861 V865 T866 S867Y594-D863 HydrophobicContact CE2-CB 4Å; H699-D863 HydrophobicContact CB-CB 4.4Å; L861-D863 PolarHBondContact O-N 3.28Å; D863-V865 VanDerWaalsContact C-N 3.3Å; D863-V865 PolarHBondContact O-N 3.28Å; D863-V865 PolarHBondContact OD1-N 2.95Å; D863-V865 WeakPolarHBondContact OD2-CB 3.44Å; D863-V865 PolarHBondContact OD2-N 3.05Å; D863-T866 PolarHBondContact O-N 3.38Å; D863-T866 PolarHBondContact O-OG1 3.08Å; D863-T866 WeakPolarHBondContact OD2-CB 3.38Å; D863-T866 VanDerWaalsContact OD2-CG2 3.25Å; D863-T866 WeakPolarHBondContact OD2-CG2 3.31Å; D863-T866 PolarHBondContact OD2-N 2.96Å; D863-T866 PolarHBondContact OD2-OG1 3.39Å; D863-S867 WeakPolarHBondContact O-CB 3.42Å; D863-S867 PolarHBondContact O-N 3.22Å; D863-S867 PolarHBondContact O-OG 3.28Å
864P87.9Confident88Confident12 Ų1233.3 Ų33.38%0.07818%0.184CC..Hα-helixtrans-65.1-22.2180-26.137.1000115.8Y701 P862 C868 W874 P875Y701-P864 VanDerWaalsContact OH-CD 3.28Å; Y701-P864 WeakPolarHBondContact OH-CD 3.43Å; P862-P864 WeakPolarHBondContact O-CD 3.27Å; P864-C868 VanDerWaalsContact O-CB 3.23Å; P864-C868 WeakPolarHBondContact O-CB 3.38Å; P864-C868 PolarHBondContact O-N 3.21Å; P864-C868 PolarHBondContact O-SG 3.05Å; P864-C868 VanDerWaalsContact O-SG 3.41Å; P864-W874 HydrophobicContact CB-CD2 3.64Å; P864-W874 HydrophobicContact CB-CE3 4.17Å; P864-W874 HydrophobicContact CB-CG 3.92Å; P864-W874 HydrophobicContact CB-CH2 4.18Å; P864-W874 HydrophobicContact CB-CZ2 3.71Å; P864-W874 HydrophobicContact CB-CZ3 4.41Å; P864-W874 PolarHBondContact O-NE1 3.33Å; P864-P875 VanDerWaalsContact CG-CD 3.49Å; P864-P875 HydrophobicContact CG-CG 4.06Å
865V91.6Very high87.1Confident6 Ų633.4 Ų33.44%0.03619%0.185CC..Hα-helixtrans-71.4-37.2178.9-173.10000111.4A519 K522 I592 D863 C868 W874A519-V865 HydrophobicContact CB-CG1 4.22Å; A519-V865 WeakPolarHBondContact CB-O 3.49Å; K522-V865 HydrophobicContact CB-CG2 3.72Å; I592-V865 HydrophobicContact CB-CG1 4.44Å; I592-V865 HydrophobicContact CD1-CG1 3.8Å; I592-V865 HydrophobicContact CG2-CG1 3.96Å; D863-V865 VanDerWaalsContact C-N 3.3Å; D863-V865 PolarHBondContact O-N 3.28Å; D863-V865 PolarHBondContact OD1-N 2.95Å; D863-V865 WeakPolarHBondContact OD2-CB 3.44Å; D863-V865 PolarHBondContact OD2-N 3.05Å; V865-C868 PolarHBondContact O-SG 3.12Å; V865-C868 VanDerWaalsContact O-SG 3.41Å; V865-W874 HydrophobicContact CG2-CH2 4.42Å; V865-W874 HydrophobicContact CG2-CZ2 3.95Å
866T92.3Very high85.7Confident13 Ų1342.4 Ų42.48%0.0823%0.234CC..Hα-helixtrans-96-38.2-177.855.10000112.3I592 V593 Y594 D863 C868I592-T866 HydrophobicContact CG2-CG2 4.3Å; V593-T866 VanDerWaalsContact CA-CG2 3.44Å; Y594-T866 HydrophobicContact CD2-CG2 3.85Å; Y594-T866 HydrophobicContact CE2-CG2 4.12Å; D863-T866 PolarHBondContact O-N 3.38Å; D863-T866 PolarHBondContact O-OG1 3.08Å; D863-T866 WeakPolarHBondContact OD2-CB 3.38Å; D863-T866 VanDerWaalsContact OD2-CG2 3.25Å; D863-T866 WeakPolarHBondContact OD2-CG2 3.31Å; D863-T866 PolarHBondContact OD2-N 2.96Å; D863-T866 PolarHBondContact OD2-OG1 3.39Å; T866-C868 PolarHBondContact O-N 3.48Å
867S91.3Very high85.6Confident1 Ų144.1 Ų44.11%0.00724%0.244CC..Hα-helixtrans-79.5-18.8-173.4-53.40000113.8P862 D863 F869 A870 G871 I872P862-S867 WeakPolarHBondContact CB-OG 3.34Å; D863-S867 WeakPolarHBondContact O-CB 3.42Å; D863-S867 PolarHBondContact O-N 3.22Å; D863-S867 PolarHBondContact O-OG 3.28Å; S867-F869 PolarHBondContact O-N 3.09Å; S867-A870 PolarHBondContact O-N 3.21Å; S867-G871 PolarHBondContact O-N 3.25Å; S867-I872 PolarHBondContact O-N 3.4Å
868C89.7Confident85.3Confident0 Ų044.2 Ų44.20%024%0.238CC..THydrogen-bonded Turntrans-61.3-23.7175.768.10000113.2S7 A515 A519 P864 V865 T866 A870 I872S7-C868 WeakPolarHBondContact CB-O 3.44Å; S7-C868 PolarHBondContact OG-O 2.9Å; A515-C868 HydrophobicContact CB-CB 4.19Å; A519-C868 VanDerWaalsContact CB-SG 3.58Å; P864-C868 VanDerWaalsContact O-CB 3.23Å; P864-C868 WeakPolarHBondContact O-CB 3.38Å; P864-C868 PolarHBondContact O-N 3.21Å; P864-C868 PolarHBondContact O-SG 3.05Å; P864-C868 VanDerWaalsContact O-SG 3.41Å; V865-C868 PolarHBondContact O-SG 3.12Å; V865-C868 VanDerWaalsContact O-SG 3.41Å; T866-C868 PolarHBondContact O-N 3.48Å; C868-A870 VanDerWaalsContact C-N 3.34Å; C868-I872 WeakPolarHBondContact CA-O 3.12Å
869F91.1Very high85Confident5 Ų542.7 Ų42.72%0.02223%0.227CC..THydrogen-bonded Turntrans-74.1-26.1174-66.3-79.3000112.4Y496 I516 A519 I585 L591 I592 R693 S867Y496-F869 HydrophobicContact CD1-CD1 4.22Å; Y496-F869 HydrophobicContact CD1-CE1 4.36Å; Y496-F869 AromaticContact CE1-CD1 3.93Å; Y496-F869 HydrophobicContact CE1-CD1 3.93Å; Y496-F869 AromaticContact CE1-CE1 3.7Å; Y496-F869 HydrophobicContact CE1-CE1 3.7Å; Y496-F869 HydrophobicContact CE2-CE1 4.41Å; Y496-F869 AromaticContact CZ-CE1 3.72Å; I516-F869 HydrophobicContact CG1-CE1 4.12Å; I516-F869 HydrophobicContact CG2-CE1 4.33Å; I516-F869 HydrophobicContact CG2-CZ 4.49Å; A519-F869 HydrophobicContact CB-CE2 4.35Å; I585-F869 HydrophobicContact CG2-CZ 4.29Å; L591-F869 HydrophobicContact CD2-CB 3.78Å; L591-F869 HydrophobicContact CD2-CD1 3.49Å; L591-F869 VanDerWaalsContact CD2-CD1 3.49Å; L591-F869 HydrophobicContact CD2-CD2 4.33Å; L591-F869 HydrophobicContact CD2-CE1 4.16Å; L591-F869 HydrophobicContact CD2-CG 3.6Å; I592-F869 HydrophobicContact CB-CE2 4.08Å; I592-F869 HydrophobicContact CD1-CE2 4.25Å; I592-F869 HydrophobicContact CG1-CE2 3.97Å; I592-F869 HydrophobicContact CG1-CZ 4.31Å; R693-F869 WeakPolarHBondContact CD-O 3.5Å; R693-F869 PolarHBondContact NE-O 3.17Å; S867-F869 PolarHBondContact O-N 3.09Å
870A89.5Confident84.7Confident7 Ų743.3 Ų43.36%0.05822%0.224CC..THydrogen-bonded Turntrans-88.9-18.5-179.200000113.8A605 W611 R693 I696 S867 C868A605-A870 HydrophobicContact CB-CB 4.29Å; W611-A870 PolarHBondContact NE1-O 2.75Å; R693-A870 HydrophobicContact CB-CB 4.07Å; R693-A870 HydrophobicContact CG-CB 4.43Å; I696-A870 HydrophobicContact CG2-CB 3.47Å; I696-A870 VanDerWaalsContact CG2-CB 3.47Å; S867-A870 PolarHBondContact O-N 3.21Å; C868-A870 VanDerWaalsContact C-N 3.34Å
871G85.3Confident84.3Confident0 Ų035.6 Ų35.60%020%0.199CC..THydrogen-bonded Turntrans131.9-8.3172.100000115.6T6 S7 L8 H607 S867T6-G871 WeakPolarHBondContact CB-O 3.44Å; S7-G871 PolarHBondContact N-O 3.12Å; S7-G871 WeakPolarHBondContact OG-CA 3.12Å; S7-G871 PolarHBondContact OG-O 3.26Å; L8-G871 VanDerWaalsContact CD2-CA 3.41Å; L8-G871 VanDerWaalsContact CG-CA 3.42Å; H607-G871 PolarHBondContact NE2-O 3.43Å; S867-G871 PolarHBondContact O-N 3.25Å
872I85.9Confident83.9Confident21 Ų2134.3 Ų34.311%0.10819%0.193CC..PPolyproline II helixtrans-71135.7-178.4-74164.5000109.8S7 P606 I696 P862 S867 C868S7-I872 WeakPolarHBondContact CB-O 3.05Å; S7-I872 PolarHBondContact OG-O 3.2Å; P606-I872 HydrophobicContact CG-CD1 4.08Å; P606-I872 HydrophobicContact CG-CG1 4.25Å; I696-I872 HydrophobicContact CD1-CD1 3.34Å; I696-I872 HydrophobicContact CG2-CD1 4.44Å; P862-I872 HydrophobicContact CB-CD1 3.81Å; P862-I872 HydrophobicContact CB-CG2 4.37Å; P862-I872 HydrophobicContact CG-CD1 4.01Å; P862-I872 HydrophobicContact CG-CG2 4.1Å; S867-I872 PolarHBondContact O-N 3.4Å; C868-I872 WeakPolarHBondContact CA-O 3.12Å
873P78.8Confident83.5Confident50 Ų5034.1 Ų34.133%0.32519%0.19SC..PPolyproline II helixtrans-65.9161.8178.530.9-38.7000112G5G5-P873 WeakPolarHBondContact O-CB 3.4Å; G5-P873 VanDerWaalsContact O-CD 3.32Å; G5-P873 WeakPolarHBondContact O-CD 3.33Å; G5-P873 WeakPolarHBondContact O-CG 3.44Å
874W75.4Confident83.1Confident58 Ų5836.2 Ų36.222%0.2220%0.201CC..PPolyproline II helixtrans-74129.3153.4-95.367.8000108.6N518 K522 P864 V865N518-W874 HydrophobicContact CB-CD2 4.35Å; N518-W874 HydrophobicContact CB-CG 4.4Å; K522-W874 HydrophobicContact CB-CH2 3.86Å; K522-W874 HydrophobicContact CB-CZ2 3.87Å; K522-W874 HydrophobicContact CD-CH2 3.64Å; K522-W874 HydrophobicContact CD-CZ2 4.42Å; K522-W874 HydrophobicContact CD-CZ3 4.19Å; K522-W874 HydrophobicContact CG-CH2 3.41Å; K522-W874 VanDerWaalsContact CG-CH2 3.41Å; K522-W874 HydrophobicContact CG-CZ2 3.69Å; K522-W874 HydrophobicContact CG-CZ3 4.27Å; P864-W874 HydrophobicContact CB-CD2 3.64Å; P864-W874 HydrophobicContact CB-CE3 4.17Å; P864-W874 HydrophobicContact CB-CG 3.92Å; P864-W874 HydrophobicContact CB-CH2 4.18Å; P864-W874 HydrophobicContact CB-CZ2 3.71Å; P864-W874 HydrophobicContact CB-CZ3 4.41Å; P864-W874 PolarHBondContact O-NE1 3.33Å; V865-W874 HydrophobicContact CG2-CH2 4.42Å; V865-W874 HydrophobicContact CG2-CZ2 3.95Å
875P66.3Low82.6Confident84 Ų8438.2 Ų38.255%0.54521%0.212SC..PPolyproline II helixtrans-63.5135161.129.3-31.8000108.2P864P864-P875 VanDerWaalsContact CG-CD 3.49Å; P864-P875 HydrophobicContact CG-CG 4.06Å
876N54.7Low81.8Confident213 Ų21341.1 Ų41.1100%1.13923%0.228SC*.  trans-88.50175.7-66.2-47.1000110.7

Retrieved 876 of 876 residues in 951.3 ms (Link to these results)

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