A0A096NIU8_PAPAN Loading...

Cleavage and polyadenylation specificity factor subunit 3

AlphaFold DB , UniProt , Accession A0A096NIU8, Species PAPAN (Papio anubis, Olive baboon), Gene CPSF3, Length 684 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.8Very low68.7Low242 Ų24296.8 Ų96.8100%1.19256%0.563SS**  0115.80-69.3174.3-162.600106.5A3M1-A3 PolarHBondContact O-N 3.2Å
2S39.7Very low71Confident122 Ų12289.1 Ų89.185%0.85352%0.518SS*.  trans-65.2113.5177.7179.80000107.9I4S2-I4 PolarHBondContact O-N 3.44Å
3A54.7Low73.1Confident87 Ų8785 Ų8572%0.71949%0.493SS*.PPolyproline II helixtrans-57.1129.8172.600000108M1 P5M1-A3 PolarHBondContact O-N 3.2Å; A3-P5 WeakPolarHBondContact O-CD 3.15Å
4I63.7Low74.9Confident127 Ų12779 Ų7965%0.65146%0.458SS*.PPolyproline II helixtrans-58.5126.3172.7-61.8171.3000106S2 A6 E8S2-I4 PolarHBondContact O-N 3.44Å; I4-A6 PolarHBondContact O-N 3.13Å; I4-E8 HydrophobicContact CG2-CB 3.75Å
5P73.4Confident76.5Confident81 Ų8177.4 Ų77.453%0.52644%0.441SS..PPolyproline II helixtrans-52.3141.1176.9-25.833.8000110.4A3 E7 E8 S9A3-P5 WeakPolarHBondContact O-CD 3.15Å; P5-E7 PolarHBondContact O-N 3.22Å; P5-E8 HydrophobicContact CB-CB 4.44Å; P5-E8 HydrophobicContact CB-CG 4.18Å; P5-E8 HydrophobicContact CG-CG 4.38Å; P5-E8 WeakPolarHBondContact O-CA 3.43Å; P5-E8 WeakPolarHBondContact O-CB 3.19Å; P5-E8 PolarHBondContact O-N 3.29Å; P5-S9 PolarHBondContact O-N 3.47Å
6A73.7Confident77.9Confident67 Ų6772.6 Ų72.655%0.55441%0.414SS*.G310 helixtrans-55.4-32.2-176.200000113I4 E8 S9 K33 G34I4-A6 PolarHBondContact O-N 3.13Å; A6-E8 PolarHBondContact O-N 2.85Å; A6-S9 PolarHBondContact O-N 3.16Å; A6-K33 CarbonylContact O-C 3.52Å; A6-K33 WeakPolarHBondContact O-CA 3.28Å; A6-G34 PolarHBondContact O-N 3.43Å
7E72.8Confident79.1Confident83 Ų8368.3 Ų68.339%0.38839%0.389SS..G310 helixtrans-64.1-22174.4-61.6-168.1174.700114.7P5 K487P5-E7 PolarHBondContact O-N 3.22Å; E7-K487 IonicContact OE2-NZ 3.3Å; E7-K487 PolarHBondContact OE2-NZ 2.81Å
8E75.1Confident80.2Confident56 Ų5664.5 Ų64.526%0.26237%0.368SS..G310 helixtrans-105-1.7-175-60-63.1149.400111.6I4 P5 A6 K462 K487 Y492I4-E8 HydrophobicContact CG2-CB 3.75Å; P5-E8 HydrophobicContact CB-CB 4.44Å; P5-E8 HydrophobicContact CB-CG 4.18Å; P5-E8 HydrophobicContact CG-CG 4.38Å; P5-E8 WeakPolarHBondContact O-CA 3.43Å; P5-E8 WeakPolarHBondContact O-CB 3.19Å; P5-E8 PolarHBondContact O-N 3.29Å; A6-E8 PolarHBondContact O-N 2.85Å; E8-K462 WeakPolarHBondContact OE2-CE 3.42Å; E8-K462 IonicContact OE2-NZ 3.02Å; E8-K462 PolarHBondContact OE2-NZ 3.44Å; E8-K487 IonicContact OE1-NZ 3.99Å; E8-K487 PolarHBondContact OE1-NZ 2.91Å; E8-K487 VanDerWaalsContact OE1-NZ 3.15Å; E8-Y492 PolarHBondContact OE1-OH 3.2Å
9S83.9Confident81.1Confident34 Ų3461.1 Ų61.124%0.23835%0.348CS..  trans-68.9140.8173-172.80000111.1P5 A6 Q11 K33P5-S9 PolarHBondContact O-N 3.47Å; A6-S9 PolarHBondContact O-N 3.16Å; S9-Q11 PolarHBondContact OG-N 2.95Å; S9-K33 PolarHBondContact O-NZ 2.88Å
10D88.1Confident82Confident57 Ų5758.3 Ų58.331%0.30533%0.334SS..  trans-93.5-0.7171.6-67.5-28.2000112.1K33 N457 F458 R459D10-K33 IonicContact OD1-NZ 3.17Å; D10-K33 PolarHBondContact OD1-NZ 2.87Å; D10-N457 CarbonylContact O-C 3.59Å; D10-N457 WeakPolarHBondContact O-CA 3.14Å; D10-F458 WeakPolarHBondContact CB-O 3.5Å; D10-F458 PolarHBondContact O-N 3.21Å; D10-R459 HydrophobicContact CB-CG 4.47Å
11Q93.4Very high82.7Confident109 Ų10956.9 Ų56.951%0.50932%0.324SS..EExtended strand (participates in β ladder)trans-83123.7176.7-72.9179.3-800111S9 F32 T455 L456 N457S9-Q11 PolarHBondContact OG-N 2.95Å; Q11-F32 WeakPolarHBondContact O-CD2 3.34Å; Q11-T455 HydrophobicContact CB-CG2 4.4Å; Q11-T455 HydrophobicContact CG-CG2 4.18Å; Q11-L456 WeakPolarHBondContact CA-O 3.48Å; Q11-N457 VanDerWaalsContact CG-OD1 3.25Å; Q11-N457 WeakPolarHBondContact CG-OD1 3.33Å
12L96.6Very high85.6Confident4 Ų447.1 Ų47.12%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-101.9129.2166.8-174.3150.7000108.2I14 L30 E31 F32 V172 I200 L456 F458L12-I14 HydrophobicContact CD2-CD1 3.58Å; L12-I14 HydrophobicContact CD2-CG1 3.63Å; L12-L30 HydrophobicContact CD1-CD1 4.1Å; L12-L30 HydrophobicContact CD2-CD1 3.73Å; L12-L30 HydrophobicContact CG-CD1 3.86Å; L12-E31 WeakPolarHBondContact CA-O 3.19Å; L12-F32 HydrophobicContact CB-CB 4.37Å; L12-F32 HydrophobicContact CB-CD2 3.51Å; L12-F32 HydrophobicContact CB-CE2 3.98Å; L12-F32 HydrophobicContact CB-CG 4.08Å; L12-F32 HydrophobicContact CD1-CB 4.04Å; L12-F32 HydrophobicContact CD1-CD1 4.15Å; L12-F32 HydrophobicContact CD1-CD2 4.09Å; L12-F32 HydrophobicContact CD1-CG 3.85Å; L12-F32 HydrophobicContact CG-CB 4Å; L12-F32 HydrophobicContact CG-CD2 4.04Å; L12-F32 HydrophobicContact CG-CG 4.08Å; L12-V172 HydrophobicContact CD1-CG1 3.98Å; L12-I200 HydrophobicContact CD1-CD1 3.67Å; L12-I200 HydrophobicContact CD2-CD1 3.63Å; L12-I200 HydrophobicContact CG-CD1 4.3Å; L12-L456 PolarHBondContact N-O 3.13Å; L12-L456 PolarHBondContact O-N 3.33Å; L12-F458 HydrophobicContact CB-CD2 3.97Å; L12-F458 HydrophobicContact CB-CE2 4.31Å; L12-F458 HydrophobicContact CD1-CD2 4.22Å; L12-F458 HydrophobicContact CD1-CE2 4.26Å
13L98.2Very high88.3Confident36 Ų3641.8 Ų41.819%0.18824%0.238CC..EExtended strand (participates in β ladder)trans-117.7128.2-178.4-169.6148.5000109.9R15 L30 E31 A453 V454L13-R15 HydrophobicContact CD2-CB 3.84Å; L13-L30 WeakPolarHBondContact O-CA 3.44Å; L13-E31 HydrophobicContact CB-CB 4.27Å; L13-E31 PolarHBondContact N-O 3.38Å; L13-E31 PolarHBondContact O-N 3.44Å; L13-A453 HydrophobicContact CD1-CB 3.93Å; L13-A453 HydrophobicContact CD2-CB 3.88Å; L13-A453 HydrophobicContact CG-CB 3.86Å; L13-V454 WeakPolarHBondContact CA-O 3.24Å
14I98.8Very high90.2Very high1 Ų137.6 Ų37.61%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-119.3122.6173.5-66.1161.9000108.2L12 I28 I29 L30 L174 I200 I202 I415 A453 V454L12-I14 HydrophobicContact CD2-CD1 3.58Å; L12-I14 HydrophobicContact CD2-CG1 3.63Å; I14-I28 HydrophobicContact CG2-CG2 3.75Å; I14-I29 CarbonylContact C-O 3.55Å; I14-I29 WeakPolarHBondContact CA-O 3.46Å; I14-L30 HydrophobicContact CD1-CD1 4.45Å; I14-L30 HydrophobicContact CG1-CD1 3.83Å; I14-L174 HydrophobicContact CD1-CD1 3.63Å; I14-L174 HydrophobicContact CG1-CD1 4.36Å; I14-I200 HydrophobicContact CD1-CD1 4.22Å; I14-I200 HydrophobicContact CD1-CG2 3.83Å; I14-I202 HydrophobicContact CD1-CD1 4.23Å; I14-I202 HydrophobicContact CG2-CD1 3.87Å; I14-I415 HydrophobicContact CB-CD1 4.12Å; I14-I415 HydrophobicContact CD1-CD1 3.23Å; I14-I415 HydrophobicContact CG1-CD1 4.26Å; I14-I415 HydrophobicContact CG2-CD1 4.04Å; I14-A453 CarbonylContact O-C 3.57Å; I14-A453 WeakPolarHBondContact O-CA 3.23Å; I14-V454 PolarHBondContact N-O 2.87Å; I14-V454 PolarHBondContact O-N 3.44Å
15R98.8Very high91.8Very high55 Ų5532.4 Ų32.421%0.20818%0.176CC..EExtended strand (participates in β ladder)trans-132.9111.6-177.4-174.9-175.4-59167.37110.4L13 L17 I29 A453L13-R15 HydrophobicContact CD2-CB 3.84Å; R15-L17 HydrophobicContact CG-CD2 4.19Å; R15-L17 PolarHBondContact O-N 2.58Å; R15-I29 PolarHBondContact N-O 3.07Å; R15-I29 PolarHBondContact O-N 2.61Å; R15-A453 HydrophobicContact CB-CB 4.48Å
16P98.8Very high93Very high0 Ų028.6 Ų28.60%015%0.151CC..EExtended strand (participates in β ladder)trans-66.3123.4166.9-11.526.1000109.6I28 V417 P448 N450 T451 E452P16-I28 HydrophobicContact CB-CG1 4.41Å; P16-V417 HydrophobicContact CG-CG1 4.47Å; P16-P448 HydrophobicContact CG-CB 4.06Å; P16-P448 HydrophobicContact CG-CG 3.6Å; P16-N450 CarbonylContact O-C 3.57Å; P16-N450 WeakPolarHBondContact O-CA 3.43Å; P16-T451 PolarHBondContact O-N 3.35Å; P16-E452 VanDerWaalsContact CD-O 3.32Å; P16-E452 WeakPolarHBondContact CD-O 3.42Å
17L98.7Very high94.2Very high0 Ų025.4 Ų25.40%012%0.124CC..EExtended strand (participates in β ladder)trans-92.8-9.7164.8-58.2-175.5000111.6R15 C27 I29 P54 Y55 I56 L58 I59R15-L17 HydrophobicContact CG-CD2 4.19Å; R15-L17 PolarHBondContact O-N 2.58Å; L17-C27 HydrophobicContact CB-CB 4.29Å; L17-C27 PolarHBondContact N-O 2.97Å; L17-I29 HydrophobicContact CD1-CD1 4.04Å; L17-I29 HydrophobicContact CD1-CG1 3.49Å; L17-I29 VanDerWaalsContact CD1-CG1 3.49Å; L17-I29 HydrophobicContact CG-CG1 3.78Å; L17-P54 HydrophobicContact CB-CB 4.1Å; L17-P54 WeakPolarHBondContact O-CA 3.31Å; L17-P54 WeakPolarHBondContact O-CB 3.41Å; L17-Y55 WeakPolarHBondContact O-CD2 3.17Å; L17-Y55 PolarHBondContact O-N 2.97Å; L17-I56 HydrophobicContact CD1-CD1 4.15Å; L17-L58 HydrophobicContact CD2-CB 4.2Å; L17-L58 HydrophobicContact CD2-CD1 4.16Å; L17-I59 HydrophobicContact CD1-CD1 4.09Å; L17-I59 HydrophobicContact CD1-CG1 4.02Å; L17-I59 HydrophobicContact CD1-CG2 4.19Å
18G98.3Very high95.5Very high0 Ų021.5 Ų21.50%011%0.106CC..EExtended strand (participates in β ladder)trans-162.1166.2169.400000109.7G20 R25 C27 N450G18-G20 PolarHBondContact O-N 3.04Å; G18-R25 VanDerWaalsContact CA-O 3.28Å; G18-R25 WeakPolarHBondContact CA-O 3.37Å; G18-C27 PolarHBondContact N-O 3.11Å; G18-C27 VanDerWaalsContact N-O 3.1Å; G18-N450 VanDerWaalsContact C-OD1 3.23Å; G18-N450 WeakPolarHBondContact CA-OD1 3.37Å; G18-N450 PolarHBondContact N-OD1 2.95Å
19A98.2Very high96.6Very high0 Ų018.8 Ų18.80%09%0.094CC..SBendtrans61.314.2-173.100000115.5Q21 E22 G24 V417 H418 N450A19-Q21 PolarHBondContact O-N 3.5Å; A19-E22 CarbonylContact C-O 3.59Å; A19-E22 WeakPolarHBondContact CA-O 3.39Å; A19-E22 PolarHBondContact N-OE1 2.87Å; A19-G24 PolarHBondContact N-O 3.35Å; A19-V417 CarbonylContact O-C 3.21Å; A19-H418 HydrophobicContact CB-CB 4.3Å; A19-H418 PolarHBondContact O-N 3.03Å; A19-N450 PolarHBondContact N-OD1 3.02Å
20G98.2Very high97.3Very high5 Ų517.3 Ų17.35%0.0528%0.083CC..SBendtrans-84.3103.4170.500000111.2G18 E22 P448 N450G18-G20 PolarHBondContact O-N 3.04Å; G20-E22 PolarHBondContact O-N 3.23Å; G20-P448 CarbonylContact C-O 3.42Å; G20-P448 VanDerWaalsContact CA-O 3.3Å; G20-P448 WeakPolarHBondContact CA-O 3.26Å; G20-N450 WeakPolarHBondContact CA-OD1 3.48Å; G20-N450 PolarHBondContact N-OD1 2.74Å; G20-N450 PolarHBondContact O-N 2.84Å
21Q98Very high97.8Very high28 Ų2816.8 Ų16.813%0.1318%0.079CC..SBendtrans61.126-170.6-57.2-172.4-3.200114.7A19 G419 Q421 M424 N447 R449A19-Q21 PolarHBondContact O-N 3.5Å; Q21-G419 CarbonylContact C-O 3.58Å; Q21-Q421 HydrophobicContact CB-CB 4.14Å; Q21-Q421 HydrophobicContact CB-CG 4.33Å; Q21-Q421 PolarHBondContact O-N 3Å; Q21-M424 HydrophobicContact CB-SD 4.44Å; Q21-M424 HydrophobicContact CG-SD 3.89Å; Q21-N447 PolarHBondContact NE2-O 3.19Å; Q21-R449 HydrophobicContact CB-CG 4.49Å; Q21-R449 HydrophobicContact CG-CG 4.02Å; Q21-R449 VanDerWaalsContact OE1-NE 3.11Å
22E97.1Very high97.9Very high37 Ų3711.8 Ų11.817%0.1736%0.055CC..SBendtrans-145.9168.9172.668.5-175.9-176.600110.9A19 G20 R25 H418 G419 N450A19-E22 CarbonylContact C-O 3.59Å; A19-E22 WeakPolarHBondContact CA-O 3.39Å; A19-E22 PolarHBondContact N-OE1 2.87Å; G20-E22 PolarHBondContact O-N 3.23Å; E22-R25 IonicContact OE1-CZ 2.69Å; E22-R25 IonicContact OE1-NE 3.83Å; E22-R25 PolarHBondContact OE1-NE 2.9Å; E22-R25 IonicContact OE1-NH2 3.71Å; E22-R25 PolarHBondContact OE1-NH2 3.48Å; E22-R25 IonicContact OE2-CZ 3.8Å; E22-R25 IonicContact OE2-NE 3.16Å; E22-R25 IonicContact OE2-NH2 3.34Å; E22-R25 PolarHBondContact OE2-NH2 3.26Å; E22-H418 WeakPolarHBondContact O-CA 3.44Å; E22-G419 CarbonylContact C-O 3.52Å; E22-G419 WeakPolarHBondContact CA-O 3.48Å; E22-G419 PolarHBondContact N-O 3.03Å; E22-G419 PolarHBondContact O-N 3.06Å; E22-N450 PolarHBondContact OE1-ND2 3.36Å; E22-N450 PolarHBondContact OE2-ND2 3.32Å
23V96.6Very high97.6Very high10 Ų1012.6 Ų12.66%0.0616%0.058CC..SBendtrans-109.8126169.3174.60000108H44 Y357 V359V23-H44 PolarHBondContact O-NE2 3.43Å; V23-Y357 HydrophobicContact CB-CE1 3.92Å; V23-Y357 HydrophobicContact CG1-CD1 3.99Å; V23-Y357 HydrophobicContact CG1-CE1 3.71Å; V23-Y357 HydrophobicContact CG2-CE1 3.97Å; V23-V359 HydrophobicContact CG1-CG2 4.07Å
24G94.4Very high97.3Very high0 Ų012.6 Ų12.60%07%0.068CC..SBendtrans122157.4-174.500000113.4A19 S26A19-G24 PolarHBondContact N-O 3.35Å; G24-S26 PolarHBondContact O-N 3.36Å; G24-S26 VanDerWaalsContact O-N 3.14Å
25R97.6Very high97.2Very high18 Ų1815 Ų157%0.0688%0.076CC..SBendtrans4640.1177.260.2177.4171.1-170.4-2.2115.1G18 E22 C27 I43 H44 D51 L53 P54G18-R25 VanDerWaalsContact CA-O 3.28Å; G18-R25 WeakPolarHBondContact CA-O 3.37Å; E22-R25 IonicContact OE1-CZ 2.69Å; E22-R25 IonicContact OE1-NE 3.83Å; E22-R25 PolarHBondContact OE1-NE 2.9Å; E22-R25 IonicContact OE1-NH2 3.71Å; E22-R25 PolarHBondContact OE1-NH2 3.48Å; E22-R25 IonicContact OE2-CZ 3.8Å; E22-R25 IonicContact OE2-NE 3.16Å; E22-R25 IonicContact OE2-NH2 3.34Å; E22-R25 PolarHBondContact OE2-NH2 3.26Å; R25-C27 PolarHBondContact O-N 3.4Å; R25-C27 VanDerWaalsContact O-N 3.14Å; R25-I43 PolarHBondContact N-O 3.33Å; R25-H44 HydrophobicContact CB-CB 4.03Å; R25-H44 HydrophobicContact CG-CB 3.88Å; R25-D51 PolarHBondContact NH1-O 2.96Å; R25-D51 VanDerWaalsContact NH1-O 3.16Å; R25-L53 WeakPolarHBondContact CD-O 3.45Å; R25-L53 PolarHBondContact NH1-O 3.28Å; R25-P54 HydrophobicContact CB-CG 4.24Å
26S98.8Very high97.1Very high1 Ų114.4 Ų14.41%0.0078%0.075CC..  trans-50.3120.5178-61.30000111G24 D40 C41 G42 D75 H76 H418G24-S26 PolarHBondContact O-N 3.36Å; G24-S26 VanDerWaalsContact O-N 3.14Å; S26-D40 CarbonylContact O-C 3.45Å; S26-D40 VanDerWaalsContact O-C 3.31Å; S26-C41 WeakPolarHBondContact O-CA 3.39Å; S26-C41 PolarHBondContact O-N 3.13Å; S26-G42 PolarHBondContact O-N 3.33Å; S26-D75 WeakPolarHBondContact CA-O 3.5Å; S26-D75 WeakPolarHBondContact CB-O 3.48Å; S26-D75 PolarHBondContact N-O 2.74Å; S26-D75 PolarHBondContact OG-O 2.74Å; S26-H76 PolarHBondContact OG-CE1 2.9Å; S26-H76 VanDerWaalsContact OG-CE1 3.25Å; S26-H76 PolarHBondContact OG-NE2 3.39Å; S26-H418 PolarHBondContact OG-CD2 3.23Å; S26-H418 VanDerWaalsContact OG-CD2 3.24Å
27C98.8Very high97.1Very high0 Ų014.4 Ų14.40%08%0.075CC..EExtended strand (participates in β ladder)trans-162.9113.2178-1800000108.2L17 G18 R25 L39 P54L17-C27 HydrophobicContact CB-CB 4.29Å; L17-C27 PolarHBondContact N-O 2.97Å; G18-C27 PolarHBondContact N-O 3.11Å; G18-C27 VanDerWaalsContact N-O 3.1Å; R25-C27 PolarHBondContact O-N 3.4Å; R25-C27 VanDerWaalsContact O-N 3.14Å; C27-L39 WeakPolarHBondContact CA-O 3.36Å; C27-P54 HydrophobicContact CB-CB 3.58Å; C27-P54 HydrophobicContact CB-CG 3.52Å
28I98.9Very high97.1Very high0 Ų014.4 Ų14.40%08%0.075CC..EExtended strand (participates in β ladder)trans-125.1129-177.6-58.9136.7000109.2I14 P16 M38 L39 Y176 I202 V417I14-I28 HydrophobicContact CG2-CG2 3.75Å; P16-I28 HydrophobicContact CB-CG1 4.41Å; I28-M38 CarbonylContact O-C 3.57Å; I28-M38 WeakPolarHBondContact O-CA 3.26Å; I28-L39 HydrophobicContact CB-CB 4.27Å; I28-L39 PolarHBondContact N-O 3.43Å; I28-L39 PolarHBondContact O-N 3.5Å; I28-Y176 HydrophobicContact CD1-CD2 4.39Å; I28-Y176 HydrophobicContact CD1-CE2 3.68Å; I28-I202 HydrophobicContact CD1-CG2 4.19Å; I28-I202 HydrophobicContact CG2-CD1 4.16Å; I28-V417 HydrophobicContact CD1-CB 4.4Å; I28-V417 HydrophobicContact CD1-CG1 4.13Å; I28-V417 HydrophobicContact CD1-CG2 4.13Å; I28-V417 HydrophobicContact CG1-CG1 4.38Å
29I98.8Very high97.2Very high0 Ų014.4 Ų14.40%08%0.075CC..EExtended strand (participates in β ladder)trans-95.2130.8175.5-60.2-61.7000109.6I14 R15 L17 E31 I37 M38 I59 I64I14-I29 CarbonylContact C-O 3.55Å; I14-I29 WeakPolarHBondContact CA-O 3.46Å; R15-I29 PolarHBondContact N-O 3.07Å; R15-I29 PolarHBondContact O-N 2.61Å; L17-I29 HydrophobicContact CD1-CD1 4.04Å; L17-I29 HydrophobicContact CD1-CG1 3.49Å; L17-I29 VanDerWaalsContact CD1-CG1 3.49Å; L17-I29 HydrophobicContact CG-CG1 3.78Å; I29-E31 HydrophobicContact CG2-CG 3.74Å; I29-I37 WeakPolarHBondContact CA-O 3.39Å; I29-M38 HydrophobicContact CD1-CB 3.86Å; I29-M38 HydrophobicContact CD1-CE 3.71Å; I29-M38 HydrophobicContact CD1-CG 3.95Å; I29-I59 HydrophobicContact CD1-CD1 3.88Å; I29-I59 HydrophobicContact CG1-CG2 4.15Å; I29-I64 HydrophobicContact CD1-CD1 4.12Å
30L98.4Very high97.2Very high2 Ų214.4 Ų14.41%0.018%0.075CC..EExtended strand (participates in β ladder)trans-116.2118.8172.2167.663.7000108.5L12 L13 I14 K36 I37 I167 L174L12-L30 HydrophobicContact CD1-CD1 4.1Å; L12-L30 HydrophobicContact CD2-CD1 3.73Å; L12-L30 HydrophobicContact CG-CD1 3.86Å; L13-L30 WeakPolarHBondContact O-CA 3.44Å; I14-L30 HydrophobicContact CD1-CD1 4.45Å; I14-L30 HydrophobicContact CG1-CD1 3.83Å; L30-K36 WeakPolarHBondContact O-CA 3.48Å; L30-I37 HydrophobicContact CB-CB 4.25Å; L30-I37 HydrophobicContact CD2-CB 4.46Å; L30-I37 HydrophobicContact CD2-CD1 4.06Å; L30-I37 PolarHBondContact N-O 2.85Å; L30-I37 PolarHBondContact O-N 3.02Å; L30-I167 HydrophobicContact CD2-CD1 4.42Å; L30-I167 HydrophobicContact CD2-CG2 4.42Å; L30-L174 HydrophobicContact CD1-CD1 4.09Å; L30-L174 HydrophobicContact CD2-CD1 4.11Å
31E97.7Very high97.2Very high47 Ų4714.1 Ų14.122%0.227%0.073CC..EExtended strand (participates in β ladder)trans-116.6122.7175.4-46.9-172.5-153.900110L12 L13 I29 R35 K36L12-E31 WeakPolarHBondContact CA-O 3.19Å; L13-E31 HydrophobicContact CB-CB 4.27Å; L13-E31 PolarHBondContact N-O 3.38Å; L13-E31 PolarHBondContact O-N 3.44Å; I29-E31 HydrophobicContact CG2-CG 3.74Å; E31-R35 WeakPolarHBondContact CA-O 3.26Å; E31-K36 HydrophobicContact CG-CD 4.46Å; E31-K36 HydrophobicContact CG-CG 4.09Å; E31-K36 WeakPolarHBondContact OE2-CE 3.41Å; E31-K36 IonicContact OE2-NZ 3.66Å
32F95.8Very high97.2Very high4 Ų412.8 Ų12.82%0.0187%0.067CC..EExtended strand (participates in β ladder)trans-154.7135174.5-171.4-130.3000111.6Q11 L12 G34 R35 I169 A170 V172 F458Q11-F32 WeakPolarHBondContact O-CD2 3.34Å; L12-F32 HydrophobicContact CB-CB 4.37Å; L12-F32 HydrophobicContact CB-CD2 3.51Å; L12-F32 HydrophobicContact CB-CE2 3.98Å; L12-F32 HydrophobicContact CB-CG 4.08Å; L12-F32 HydrophobicContact CD1-CB 4.04Å; L12-F32 HydrophobicContact CD1-CD1 4.15Å; L12-F32 HydrophobicContact CD1-CD2 4.09Å; L12-F32 HydrophobicContact CD1-CG 3.85Å; L12-F32 HydrophobicContact CG-CB 4Å; L12-F32 HydrophobicContact CG-CD2 4.04Å; L12-F32 HydrophobicContact CG-CG 4.08Å; F32-G34 VanDerWaalsContact C-N 3.27Å; F32-G34 PolarHBondContact O-N 3.44Å; F32-R35 PolarHBondContact N-O 2.84Å; F32-R35 WeakPolarHBondContact O-CB 3.22Å; F32-R35 PolarHBondContact O-N 2.83Å; F32-I169 HydrophobicContact CB-CD1 4.37Å; F32-I169 HydrophobicContact CD1-CB 3.87Å; F32-I169 HydrophobicContact CD1-CG2 3.62Å; F32-I169 HydrophobicContact CE1-CB 4.48Å; F32-I169 HydrophobicContact CE1-CG2 4.26Å; F32-A170 HydrophobicContact CE1-CB 4.47Å; F32-V172 HydrophobicContact CE1-CB 4.01Å; F32-V172 HydrophobicContact CE1-CG2 3.68Å; F32-V172 HydrophobicContact CZ-CG2 3.81Å; F32-F458 HydrophobicContact CE2-CB 4.42Å; F32-F458 HydrophobicContact CZ-CB 4.1Å
33K91Very high97.2Very high20 Ų2011.2 Ų11.29%0.0876%0.059CC..THydrogen-bonded Turntrans46.247.9178.1-61.2-164.2175.8-59.90113.9A6 S9 D10 R35 A170 F490A6-K33 CarbonylContact O-C 3.52Å; A6-K33 WeakPolarHBondContact O-CA 3.28Å; S9-K33 PolarHBondContact O-NZ 2.88Å; D10-K33 IonicContact OD1-NZ 3.17Å; D10-K33 PolarHBondContact OD1-NZ 2.87Å; K33-R35 PolarHBondContact O-N 2.68Å; K33-A170 HydrophobicContact CD-CB 3.68Å; K33-F490 HydrophobicContact CB-CD1 4.42Å; K33-F490 HydrophobicContact CB-CE1 3.52Å; K33-F490 HydrophobicContact CB-CZ 4Å; K33-F490 HydrophobicContact CD-CD1 4.18Å; K33-F490 HydrophobicContact CD-CE1 4.09Å; K33-F490 HydrophobicContact CG-CE1 4.43Å
34G92.1Very high97.2Very high37 Ų3711.8 Ų11.838%0.3816%0.061SC..THydrogen-bonded Turntrans72.710.8177.600000115A6 F32A6-G34 PolarHBondContact O-N 3.43Å; F32-G34 VanDerWaalsContact C-N 3.27Å; F32-G34 PolarHBondContact O-N 3.44Å
35R95.4Very high96.9Very high50 Ų5013.3 Ų13.319%0.1897%0.071CC..EExtended strand (participates in β ladder)trans-109142.6174-61.3-60176.2-139.8-10111.4E31 F32 K33 D65 A147 I149 F490E31-R35 WeakPolarHBondContact CA-O 3.26Å; F32-R35 PolarHBondContact N-O 2.84Å; F32-R35 WeakPolarHBondContact O-CB 3.22Å; F32-R35 PolarHBondContact O-N 2.83Å; K33-R35 PolarHBondContact O-N 2.68Å; R35-D65 VanDerWaalsContact CA-OD2 3.27Å; R35-D65 WeakPolarHBondContact CA-OD2 3.44Å; R35-D65 VanDerWaalsContact CD-OD2 3.31Å; R35-D65 WeakPolarHBondContact CD-OD2 3.27Å; R35-D65 IonicContact NH1-OD1 2.52Å; R35-A147 PolarHBondContact NE-O 2.83Å; R35-I149 HydrophobicContact CB-CD1 4.12Å; R35-I149 HydrophobicContact CB-CG1 4.26Å; R35-I149 HydrophobicContact CG-CD1 4.36Å; R35-I149 HydrophobicContact CG-CG1 4.22Å; R35-F490 HydrophobicContact CG-CE2 4.4Å; R35-F490 HydrophobicContact CG-CZ 3.93Å
36K98.3Very high96.4Very high43 Ų4313.4 Ų13.419%0.1878%0.078CC..EExtended strand (participates in β ladder)trans-123.8123.8177.6-61.7-170.9177.7-177.70110.7L30 E31 E63 I64 D65L30-K36 WeakPolarHBondContact O-CA 3.48Å; E31-K36 HydrophobicContact CG-CD 4.46Å; E31-K36 HydrophobicContact CG-CG 4.09Å; E31-K36 WeakPolarHBondContact OE2-CE 3.41Å; E31-K36 IonicContact OE2-NZ 3.66Å; K36-E63 HydrophobicContact CD-CB 4.11Å; K36-E63 IonicContact NZ-OE2 2.7Å; K36-E63 PolarHBondContact NZ-OE2 2.95Å; K36-I64 HydrophobicContact CB-CD1 3.87Å; K36-I64 HydrophobicContact CD-CD1 4.32Å; K36-D65 PolarHBondContact N-OD2 2.9Å; K36-D65 PolarHBondContact O-N 3.05Å
37I98.8Very high96Very high0 Ų016.8 Ų16.80%010%0.095CC..EExtended strand (participates in β ladder)trans-119.9134.5179.3-54.2175.7000108.1I29 L30 L39 L66 L68 I149 I167 I169I29-I37 WeakPolarHBondContact CA-O 3.39Å; L30-I37 HydrophobicContact CB-CB 4.25Å; L30-I37 HydrophobicContact CD2-CB 4.46Å; L30-I37 HydrophobicContact CD2-CD1 4.06Å; L30-I37 PolarHBondContact N-O 2.85Å; L30-I37 PolarHBondContact O-N 3.02Å; I37-L39 HydrophobicContact CG2-CD2 3.82Å; I37-L39 HydrophobicContact CG2-CG 4.49Å; I37-L66 CarbonylContact C-O 3.52Å; I37-L66 WeakPolarHBondContact CA-O 3.34Å; I37-L66 HydrophobicContact CD1-CD2 4.44Å; I37-L66 HydrophobicContact CG1-CB 4.23Å; I37-L66 HydrophobicContact CG2-CB 4.28Å; I37-L66 HydrophobicContact CG2-CD2 4.41Å; I37-L68 HydrophobicContact CG2-CD1 4.47Å; I37-I149 HydrophobicContact CD1-CB 4.41Å; I37-I149 HydrophobicContact CD1-CD1 3.77Å; I37-I149 HydrophobicContact CD1-CG1 4.05Å; I37-I149 HydrophobicContact CD1-CG2 3.54Å; I37-I149 HydrophobicContact CG1-CD1 3.76Å; I37-I167 HydrophobicContact CD1-CG2 3.72Å; I37-I169 HydrophobicContact CD1-CD1 3.76Å
38M98.9Very high95.5Very high0 Ų024.4 Ų24.40%013%0.131CC..EExtended strand (participates in β ladder)trans-104.2130.8169-177.4-176.8-75.200109.1I28 I29 C41 I56 I59 I64 L66 L67 L68 F83I28-M38 CarbonylContact O-C 3.57Å; I28-M38 WeakPolarHBondContact O-CA 3.26Å; I29-M38 HydrophobicContact CD1-CB 3.86Å; I29-M38 HydrophobicContact CD1-CE 3.71Å; I29-M38 HydrophobicContact CD1-CG 3.95Å; M38-C41 HydrophobicContact SD-CB 4.24Å; M38-I56 HydrophobicContact CE-CD1 3.89Å; M38-I59 HydrophobicContact CE-CD1 3.46Å; M38-I59 VanDerWaalsContact CE-CD1 3.46Å; M38-I64 HydrophobicContact CB-CG2 3.93Å; M38-L66 PolarHBondContact N-O 2.94Å; M38-L67 HydrophobicContact CB-CD1 3.77Å; M38-L67 HydrophobicContact CG-CD1 3.62Å; M38-L67 WeakPolarHBondContact O-CA 3.28Å; M38-L67 WeakPolarHBondContact O-CD1 3.05Å; M38-L67 HydrophobicContact SD-CD1 3.8Å; M38-L68 PolarHBondContact O-N 2.9Å; M38-F83 HydrophobicContact CE-CE1 4.2Å; M38-F83 HydrophobicContact CE-CE2 3.69Å; M38-F83 HydrophobicContact CE-CZ 3.49Å; M38-F83 VanDerWaalsContact CE-CZ 3.49Å; M38-F83 HydrophobicContact SD-CD1 4.46Å; M38-F83 HydrophobicContact SD-CE1 3.97Å; M38-F83 HydrophobicContact SD-CE2 4.26Å; M38-F83 HydrophobicContact SD-CZ 3.86Å
39L98.9Very high95Very high0 Ų025.4 Ų25.40%014%0.141CC..EExtended strand (participates in β ladder)trans-110.7116.4178-52.7174.1000108.1C27 I28 I37 L68 I167 L174 Y176 I202C27-L39 WeakPolarHBondContact CA-O 3.36Å; I28-L39 HydrophobicContact CB-CB 4.27Å; I28-L39 PolarHBondContact N-O 3.43Å; I28-L39 PolarHBondContact O-N 3.5Å; I37-L39 HydrophobicContact CG2-CD2 3.82Å; I37-L39 HydrophobicContact CG2-CG 4.49Å; L39-L68 HydrophobicContact CD2-CB 4.16Å; L39-L68 HydrophobicContact CD2-CD1 4.06Å; L39-L68 HydrophobicContact CD2-CG 4.47Å; L39-I167 HydrophobicContact CD2-CD1 3.56Å; L39-L174 HydrophobicContact CD1-CD2 4.38Å; L39-Y176 HydrophobicContact CB-CD1 3.91Å; L39-Y176 HydrophobicContact CB-CE1 3.94Å; L39-Y176 HydrophobicContact CB-CG 4.38Å; L39-Y176 HydrophobicContact CD1-CD1 4.23Å; L39-Y176 HydrophobicContact CD1-CD2 4.41Å; L39-Y176 HydrophobicContact CD1-CG 3.94Å; L39-Y176 HydrophobicContact CD2-CD1 4.42Å; L39-Y176 HydrophobicContact CG-CD1 4.42Å; L39-I202 HydrophobicContact CD1-CD1 4.04Å
40D98.9Very high94.6Very high0 Ų031 Ų310%017%0.169CC..  trans57.4160-170.1-68.8-32.3000115.1S26 L68 I69 S70 H76 Y176S26-D40 CarbonylContact O-C 3.45Å; S26-D40 VanDerWaalsContact O-C 3.31Å; D40-L68 PolarHBondContact N-O 3.45Å; D40-I69 VanDerWaalsContact OD1-CA 3.27Å; D40-I69 WeakPolarHBondContact OD1-CA 3.22Å; D40-S70 VanDerWaalsContact CG-OG 3.26Å; D40-S70 PolarHBondContact OD1-N 3.2Å; D40-S70 PolarHBondContact OD1-OG 3.01Å; D40-S70 VanDerWaalsContact OD1-OG 3.04Å; D40-S70 WeakPolarHBondContact OD2-CB 3.43Å; D40-S70 PolarHBondContact OD2-OG 2.97Å; D40-H76 HydrophobicContact CB-CB 4.22Å; D40-H76 WeakPolarHBondContact CB-O 3.16Å; D40-H76 IonicContact OD2-CE1 3.23Å; D40-H76 IonicContact OD2-CG 3.86Å; D40-H76 IonicContact OD2-ND1 2.93Å; D40-H76 PolarHBondContact OD2-ND1 3.17Å; D40-Y176 WeakPolarHBondContact OD2-CE1 3.35Å; D40-Y176 VanDerWaalsContact OD2-CZ 3.27Å; D40-Y176 PolarHBondContact OD2-OH 3.13Å
41C98.7Very high94.4Very high0 Ų036.8 Ų36.80%020%0.2CC..  trans-154.777.4176.9-168.60000109.6S26 M38 L67 I69 H76 C77 G78 A79 L80S26-C41 WeakPolarHBondContact O-CA 3.39Å; S26-C41 PolarHBondContact O-N 3.13Å; M38-C41 HydrophobicContact SD-CB 4.24Å; C41-L67 HydrophobicContact CB-CD1 4.36Å; C41-I69 HydrophobicContact CB-CD1 4.33Å; C41-H76 CarbonylContact C-O 3.52Å; C41-H76 VanDerWaalsContact C-O 3.26Å; C41-H76 PolarHBondContact N-O 3.44Å; C41-C77 CarbonylContact O-C 3.58Å; C41-C77 WeakPolarHBondContact O-CA 3.43Å; C41-G78 PolarHBondContact O-N 3.07Å; C41-A79 PolarHBondContact O-N 3.36Å; C41-L80 HydrophobicContact CB-CD1 4.48Å; C41-L80 PolarHBondContact O-N 2.97Å
42G98.3Very high94.3Very high0 Ų034.7 Ų34.70%019%0.191CC..  trans-99.6179.3-177.100000116.1S26 P54 L74 D75 H76 A79S26-G42 PolarHBondContact O-N 3.33Å; G42-P54 WeakPolarHBondContact O-CD 3.26Å; G42-L74 VanDerWaalsContact CA-O 3.29Å; G42-L74 WeakPolarHBondContact CA-O 3.22Å; G42-D75 WeakPolarHBondContact CA-O 3.27Å; G42-H76 PolarHBondContact N-O 2.89Å; G42-A79 WeakPolarHBondContact O-CB 3.44Å
43I96.7Very high94.4Very high3 Ų335 Ų352%0.01519%0.192CC..  trans-112.7157.3169.755.8174.5000111.4R25 P45 A52 L53 L74 D75 A79 Y110 L122R25-I43 PolarHBondContact N-O 3.33Å; I43-P45 WeakPolarHBondContact O-CD 3.26Å; I43-A52 CarbonylContact C-O 3.6Å; I43-A52 WeakPolarHBondContact CA-O 3.32Å; I43-L53 HydrophobicContact CG2-CD2 4.36Å; I43-L74 HydrophobicContact CD1-CB 4.36Å; I43-L74 HydrophobicContact CG1-CB 4.18Å; I43-L74 PolarHBondContact N-O 2.61Å; I43-D75 WeakPolarHBondContact O-CA 3.32Å; I43-A79 HydrophobicContact CG2-CB 3.9Å; I43-Y110 HydrophobicContact CD1-CD2 4.23Å; I43-Y110 HydrophobicContact CD1-CE1 3.87Å; I43-Y110 HydrophobicContact CD1-CE2 3.48Å; I43-Y110 VanDerWaalsContact CD1-CE2 3.48Å; I43-Y110 VanDerWaalsContact CD1-OH 3.27Å; I43-Y110 WeakPolarHBondContact CD1-OH 3.31Å; I43-L122 HydrophobicContact CG2-CD1 3.94Å
44H95.5Very high94.7Very high22 Ų2234.4 Ų34.410%0.10219%0.191CC..  trans-90.6113.6175.1-169.2-71.4000110.1V23 R25 G46 L47 A52 V359V23-H44 PolarHBondContact O-NE2 3.43Å; R25-H44 HydrophobicContact CB-CB 4.03Å; R25-H44 HydrophobicContact CG-CB 3.88Å; H44-G46 PolarHBondContact ND1-N 3.46Å; H44-G46 VanDerWaalsContact ND1-N 3.12Å; H44-G46 PolarHBondContact O-N 3.44Å; H44-G46 VanDerWaalsContact O-N 3.17Å; H44-L47 HydrophobicContact CB-CB 4.2Å; H44-L47 HydrophobicContact CB-CD1 4Å; H44-L47 HydrophobicContact CB-CG 4.2Å; H44-L47 PolarHBondContact ND1-N 3.01Å; H44-L47 PolarHBondContact O-N 2.93Å; H44-L47 VanDerWaalsContact O-N 3.16Å; H44-A52 PolarHBondContact N-O 3.44Å; H44-V359 VanDerWaalsContact CE1-CG1 3.49Å; H44-V359 WeakPolarHBondContact CE1-CG1 3.39Å
45P88.9Confident95Very high33 Ų3336.9 Ų36.921%0.21419%0.189CC..THydrogen-bonded Turntrans-66.6-19.9-173.5-23.135.1000115.5I43 M331I43-P45 WeakPolarHBondContact O-CD 3.26Å; P45-M331 HydrophobicContact CB-CE 4.44Å; P45-M331 HydrophobicContact CB-SD 3.83Å; P45-M331 HydrophobicContact CG-CE 4.39Å; P45-M331 HydrophobicContact CG-SD 4.41Å
46G87.8Confident95.1Very high20 Ų2035.1 Ų35.121%0.20618%0.183CC..THydrogen-bonded Turntrans-93.12.7177.300000115.2H44H44-G46 PolarHBondContact ND1-N 3.46Å; H44-G46 VanDerWaalsContact ND1-N 3.12Å; H44-G46 PolarHBondContact O-N 3.44Å; H44-G46 VanDerWaalsContact O-N 3.17Å
47L90.5Very high95Very high71 Ų7139.3 Ų39.337%0.37221%0.208SC..SBendtrans-119.6164178-64.1176.7000110H44 D51 A52H44-L47 HydrophobicContact CB-CB 4.2Å; H44-L47 HydrophobicContact CB-CD1 4Å; H44-L47 HydrophobicContact CB-CG 4.2Å; H44-L47 PolarHBondContact ND1-N 3.01Å; H44-L47 PolarHBondContact O-N 2.93Å; H44-L47 VanDerWaalsContact O-N 3.16Å; L47-D51 VanDerWaalsContact CD1-O 3.28Å; L47-D51 WeakPolarHBondContact CD1-O 3.5Å; L47-A52 HydrophobicContact CB-CB 4.06Å
48E86.5Confident94.9Very high160 Ų16043 Ų4375%0.74823%0.227SC*.  trans-120154.3-174-64.1-179.5172.700111.7M50 D51E48-M50 PolarHBondContact O-N 2.92Å; E48-D51 PolarHBondContact O-N 3.17Å
49G88.9Confident94.8Very high21 Ų2143.9 Ų43.922%0.21623%0.232CC..G310 helixtrans54.9-136.5175.400000113.7D51 A52G49-D51 VanDerWaalsContact C-N 3.29Å; G49-D51 PolarHBondContact O-N 2.9Å; G49-A52 PolarHBondContact O-N 3.18Å
50M91.6Very high94.7Very high118 Ų11847.2 Ų47.258%0.58125%0.25SC*.G310 helixtrans-68.6-24.9-179.3-66.8-64.2-70.200113.2E48 A52 L53 W82 L122E48-M50 PolarHBondContact O-N 2.92Å; M50-A52 PolarHBondContact O-N 3.4Å; M50-L53 HydrophobicContact CE-CD1 3.57Å; M50-L53 WeakPolarHBondContact O-CB 3.41Å; M50-L53 PolarHBondContact O-N 3.44Å; M50-L53 VanDerWaalsContact O-N 3.08Å; M50-L53 HydrophobicContact SD-CD1 3.76Å; M50-W82 HydrophobicContact CE-CZ2 4.07Å; M50-L122 HydrophobicContact SD-CD2 3.7Å
51D93.9Very high94.7Very high123 Ų12348 Ų4866%0.65825%0.254SS*.G310 helixtrans-69-21.1-180-67.6-31.6000112.3R25 L47 E48 G49 L53R25-D51 PolarHBondContact NH1-O 2.96Å; R25-D51 VanDerWaalsContact NH1-O 3.16Å; L47-D51 VanDerWaalsContact CD1-O 3.28Å; L47-D51 WeakPolarHBondContact CD1-O 3.5Å; E48-D51 PolarHBondContact O-N 3.17Å; G49-D51 VanDerWaalsContact C-N 3.29Å; G49-D51 PolarHBondContact O-N 2.9Å; D51-L53 PolarHBondContact O-N 3.36Å
52A94.9Very high94.6Very high4 Ų448.8 Ų48.83%0.03326%0.261CS..G310 helixtrans-71.6-14.5173.400000113.4I43 H44 L47 G49 M50I43-A52 CarbonylContact C-O 3.6Å; I43-A52 WeakPolarHBondContact CA-O 3.32Å; H44-A52 PolarHBondContact N-O 3.44Å; L47-A52 HydrophobicContact CB-CB 4.06Å; G49-A52 PolarHBondContact O-N 3.18Å; M50-A52 PolarHBondContact O-N 3.4Å
53L97.9Very high94.6Very high9 Ų953.4 Ų53.45%0.04728%0.283CS..SBendtrans-75.5159.3177.2-64175.2000111.6R25 I43 M50 D51 A79 W82 L122R25-L53 WeakPolarHBondContact CD-O 3.45Å; R25-L53 PolarHBondContact NH1-O 3.28Å; I43-L53 HydrophobicContact CG2-CD2 4.36Å; M50-L53 HydrophobicContact CE-CD1 3.57Å; M50-L53 WeakPolarHBondContact O-CB 3.41Å; M50-L53 PolarHBondContact O-N 3.44Å; M50-L53 VanDerWaalsContact O-N 3.08Å; M50-L53 HydrophobicContact SD-CD1 3.76Å; D51-L53 PolarHBondContact O-N 3.36Å; L53-A79 HydrophobicContact CD2-CB 3.63Å; L53-W82 HydrophobicContact CD1-CD2 3.95Å; L53-W82 HydrophobicContact CD1-CE3 4.12Å; L53-W82 HydrophobicContact CD1-CH2 3.97Å; L53-W82 HydrophobicContact CD1-CZ2 3.77Å; L53-W82 HydrophobicContact CD1-CZ3 4.13Å; L53-W82 HydrophobicContact CD2-CD2 4.28Å; L53-W82 HydrophobicContact CD2-CE3 4.11Å; L53-L122 HydrophobicContact CD1-CD2 3.94Å; L53-L122 HydrophobicContact CD2-CD1 3.96Å; L53-L122 HydrophobicContact CD2-CD2 4.14Å; L53-L122 HydrophobicContact CG-CD1 4.44Å; L53-L122 HydrophobicContact CG-CD2 3.98Å
54P98.4Very high94.7Very high8 Ų853.4 Ų53.45%0.05228%0.283CS..  trans-63.7166.3163.9-13.427.9000111.4L17 R25 C27 G42 I56L17-P54 HydrophobicContact CB-CB 4.1Å; L17-P54 WeakPolarHBondContact O-CA 3.31Å; L17-P54 WeakPolarHBondContact O-CB 3.41Å; R25-P54 HydrophobicContact CB-CG 4.24Å; C27-P54 HydrophobicContact CB-CB 3.58Å; C27-P54 HydrophobicContact CB-CG 3.52Å; G42-P54 WeakPolarHBondContact O-CD 3.26Å; P54-I56 HydrophobicContact CB-CD1 3.95Å; P54-I56 HydrophobicContact CB-CG1 4.09Å; P54-I56 HydrophobicContact CG-CD1 4.23Å; P54-I56 HydrophobicContact CG-CG1 4.39Å; P54-I56 PolarHBondContact O-N 2.91Å
55Y98.4Very high94.8Very high90 Ų9054.3 Ų54.335%0.35329%0.288SS..  trans-72.258.7174.8-63.4-79.6000112.4L17 D57 L58 N450 T451L17-Y55 WeakPolarHBondContact O-CD2 3.17Å; L17-Y55 PolarHBondContact O-N 2.97Å; Y55-D57 WeakPolarHBondContact CA-OD1 3.34Å; Y55-D57 PolarHBondContact O-N 3.24Å; Y55-L58 PolarHBondContact O-N 3.21Å; Y55-N450 HydrophobicContact CD2-CB 3.86Å; Y55-N450 HydrophobicContact CE2-CB 3.69Å; Y55-T451 HydrophobicContact CD2-CG2 4.07Å; Y55-T451 HydrophobicContact CG-CG2 4.04Å
56I97.6Very high95.3Very high12 Ų1252.7 Ų52.76%0.06228%0.278CS..G310 helixtrans-67.4-21.8-176.5-59.4-62.4000112L17 M38 P54 L58 I59 P61 W82 F83L17-I56 HydrophobicContact CD1-CD1 4.15Å; M38-I56 HydrophobicContact CE-CD1 3.89Å; P54-I56 HydrophobicContact CB-CD1 3.95Å; P54-I56 HydrophobicContact CB-CG1 4.09Å; P54-I56 HydrophobicContact CG-CD1 4.23Å; P54-I56 HydrophobicContact CG-CG1 4.39Å; P54-I56 PolarHBondContact O-N 2.91Å; I56-L58 PolarHBondContact O-N 3.27Å; I56-L58 VanDerWaalsContact O-N 3.14Å; I56-I59 HydrophobicContact CG2-CG1 4.37Å; I56-I59 WeakPolarHBondContact O-CG1 3.43Å; I56-I59 PolarHBondContact O-N 3.17Å; I56-I59 VanDerWaalsContact O-N 3.15Å; I56-I59 VanDerWaalsContact O-O 3.13Å; I56-P61 HydrophobicContact CG2-CG 4.22Å; I56-W82 HydrophobicContact CB-CH2 4.35Å; I56-W82 HydrophobicContact CB-CZ3 4.41Å; I56-W82 HydrophobicContact CG1-CZ3 4.14Å; I56-W82 HydrophobicContact CG2-CH2 4.18Å; I56-W82 HydrophobicContact CG2-CZ3 4.24Å; I56-F83 HydrophobicContact CD1-CE2 4.5Å; I56-F83 HydrophobicContact CG2-CD2 4.33Å; I56-F83 HydrophobicContact CG2-CE2 4.04Å
57D95.9Very high95.8Very high132 Ų13251.8 Ų51.871%0.70627%0.268SS*.G310 helixtrans-61.7-16.8175.662-45.1000114Y55 I59Y55-D57 WeakPolarHBondContact CA-OD1 3.34Å; Y55-D57 PolarHBondContact O-N 3.24Å; D57-I59 VanDerWaalsContact C-N 3.29Å; D57-I59 PolarHBondContact O-N 3.04Å
58L95.8Very high96.2Very high76 Ų7648.4 Ų48.440%0.39825%0.25SS..G310 helixtrans-81.4-4.1176.4-63.2-178.5000114.6L17 Y55 I56 T451L17-L58 HydrophobicContact CD2-CB 4.2Å; L17-L58 HydrophobicContact CD2-CD1 4.16Å; Y55-L58 PolarHBondContact O-N 3.21Å; I56-L58 PolarHBondContact O-N 3.27Å; I56-L58 VanDerWaalsContact O-N 3.14Å; L58-T451 HydrophobicContact CD1-CG2 3.36Å
59I96.6Very high96.8Very high20 Ų2040.8 Ų40.810%0.10322%0.215CC..SBendtrans-132.3160.7179.258.2154.4000110.9L17 I29 M38 I56 D57 P61 I64L17-I59 HydrophobicContact CD1-CD1 4.09Å; L17-I59 HydrophobicContact CD1-CG1 4.02Å; L17-I59 HydrophobicContact CD1-CG2 4.19Å; I29-I59 HydrophobicContact CD1-CD1 3.88Å; I29-I59 HydrophobicContact CG1-CG2 4.15Å; M38-I59 HydrophobicContact CE-CD1 3.46Å; M38-I59 VanDerWaalsContact CE-CD1 3.46Å; I56-I59 HydrophobicContact CG2-CG1 4.37Å; I56-I59 WeakPolarHBondContact O-CG1 3.43Å; I56-I59 PolarHBondContact O-N 3.17Å; I56-I59 VanDerWaalsContact O-N 3.15Å; I56-I59 VanDerWaalsContact O-O 3.13Å; D57-I59 VanDerWaalsContact C-N 3.29Å; D57-I59 PolarHBondContact O-N 3.04Å; I59-P61 WeakPolarHBondContact O-CD 3.29Å; I59-I64 HydrophobicContact CD1-CD1 3.93Å; I59-I64 HydrophobicContact CD1-CG1 4.07Å
60D97.6Very high97.2Very high70 Ų7039.8 Ų39.837%0.37421%0.205SC..  trans-94.1113.5163.5-177.2-0.2000109A62 E63 S88D60-A62 PolarHBondContact O-N 3.02Å; D60-A62 VanDerWaalsContact O-N 3.07Å; D60-A62 WeakPolarHBondContact OD1-CB 3.48Å; D60-A62 PolarHBondContact OD1-N 2.82Å; D60-E63 HydrophobicContact CB-CG 4.07Å; D60-E63 PolarHBondContact O-N 2.84Å; D60-S88 PolarHBondContact OD1-OG 3.22Å
61P98.2Very high97.6Very high15 Ų1534.2 Ų34.210%0.09718%0.177CC..G310 helixtrans-54.2-27.5175.6-26.335.5000113.2I56 I59 E63 I64 F83 F89I56-P61 HydrophobicContact CG2-CG 4.22Å; I59-P61 WeakPolarHBondContact O-CD 3.29Å; P61-E63 PolarHBondContact O-N 3.28Å; P61-I64 PolarHBondContact O-N 2.87Å; P61-F83 HydrophobicContact CB-CE2 3.86Å; P61-F83 HydrophobicContact CB-CZ 3.95Å; P61-F83 HydrophobicContact CG-CE2 4.03Å; P61-F89 HydrophobicContact CB-CB 4Å; P61-F89 WeakPolarHBondContact O-CA 3.42Å; P61-F89 WeakPolarHBondContact O-CD2 3.26Å
62A97.7Very high97.7Very high18 Ų1828.3 Ų28.315%0.14915%0.146CC..G310 helixtrans-66.9-19.4179.800000113.4D60 S88 K90D60-A62 PolarHBondContact O-N 3.02Å; D60-A62 VanDerWaalsContact O-N 3.07Å; D60-A62 WeakPolarHBondContact OD1-CB 3.48Å; D60-A62 PolarHBondContact OD1-N 2.82Å; A62-S88 WeakPolarHBondContact CA-O 3.39Å; A62-S88 PolarHBondContact N-OG 2.96Å; A62-K90 WeakPolarHBondContact O-CE 3.43Å; A62-K90 PolarHBondContact O-NZ 2.91Å
63E97.1Very high97.7Very high97 Ų9729.7 Ų29.745%0.45315%0.151SC..G310 helixtrans-95.3-6.1-178.8-62.2-174.2158.200113.6K36 D60 P61 D65K36-E63 HydrophobicContact CD-CB 4.11Å; K36-E63 IonicContact NZ-OE2 2.7Å; K36-E63 PolarHBondContact NZ-OE2 2.95Å; D60-E63 HydrophobicContact CB-CG 4.07Å; D60-E63 PolarHBondContact O-N 2.84Å; P61-E63 PolarHBondContact O-N 3.28Å; E63-D65 PolarHBondContact O-N 2.89Å
64I98.3Very high97.5Very high3 Ų329.9 Ų29.92%0.01515%0.153CC..  trans-78118.2179.3-53.1-56.9000109.5I29 K36 M38 I59 P61 L66 F89 G91I29-I64 HydrophobicContact CD1-CD1 4.12Å; K36-I64 HydrophobicContact CB-CD1 3.87Å; K36-I64 HydrophobicContact CD-CD1 4.32Å; M38-I64 HydrophobicContact CB-CG2 3.93Å; I59-I64 HydrophobicContact CD1-CD1 3.93Å; I59-I64 HydrophobicContact CD1-CG1 4.07Å; P61-I64 PolarHBondContact O-N 2.87Å; I64-L66 WeakPolarHBondContact CG2-O 3.49Å; I64-F89 HydrophobicContact CB-CD2 4.02Å; I64-F89 HydrophobicContact CB-CE2 3.9Å; I64-F89 HydrophobicContact CG2-CD2 4.44Å; I64-F89 HydrophobicContact CG2-CE2 3.89Å; I64-G91 WeakPolarHBondContact O-CA 3.38Å
65D97.9Very high97.4Very high40 Ų4030.6 Ų30.621%0.21416%0.156CC..  trans-77.3-41.1-178.9-62.2-68.4000111.7R35 K36 E63 G91 R92 A147 I149R35-D65 VanDerWaalsContact CA-OD2 3.27Å; R35-D65 WeakPolarHBondContact CA-OD2 3.44Å; R35-D65 VanDerWaalsContact CD-OD2 3.31Å; R35-D65 WeakPolarHBondContact CD-OD2 3.27Å; R35-D65 IonicContact NH1-OD1 2.52Å; K36-D65 PolarHBondContact N-OD2 2.9Å; K36-D65 PolarHBondContact O-N 3.05Å; E63-D65 PolarHBondContact O-N 2.89Å; D65-G91 WeakPolarHBondContact O-CA 3.31Å; D65-R92 PolarHBondContact O-N 3.43Å; D65-R92 VanDerWaalsContact O-N 3.09Å; D65-A147 HydrophobicContact CB-CB 4.44Å; D65-I149 HydrophobicContact CB-CD1 4.3Å
66L98.7Very high97.4Very high0 Ų026.3 Ų26.30%014%0.139CC..EExtended strand (participates in β ladder)trans-141.4135.1-168-168.968.4000111.2I37 M38 I64 L68 R92 F94 V146 I149 F151I37-L66 CarbonylContact C-O 3.52Å; I37-L66 WeakPolarHBondContact CA-O 3.34Å; I37-L66 HydrophobicContact CD1-CD2 4.44Å; I37-L66 HydrophobicContact CG1-CB 4.23Å; I37-L66 HydrophobicContact CG2-CB 4.28Å; I37-L66 HydrophobicContact CG2-CD2 4.41Å; M38-L66 PolarHBondContact N-O 2.94Å; I64-L66 WeakPolarHBondContact CG2-O 3.49Å; L66-L68 HydrophobicContact CD1-CD2 4.29Å; L66-L68 HydrophobicContact CD2-CD1 4.2Å; L66-L68 HydrophobicContact CD2-CD2 3.99Å; L66-L68 HydrophobicContact CD2-CG 4.12Å; L66-L68 HydrophobicContact CG-CD2 3.97Å; L66-L68 HydrophobicContact CG-CG 4.16Å; L66-R92 WeakPolarHBondContact CA-O 3.48Å; L66-F94 HydrophobicContact CD1-CD2 3.64Å; L66-F94 HydrophobicContact CD1-CE2 3.66Å; L66-V146 HydrophobicContact CD1-CB 3.99Å; L66-V146 HydrophobicContact CD1-CG1 4.2Å; L66-V146 HydrophobicContact CD1-CG2 3.99Å; L66-I149 HydrophobicContact CB-CD1 4.26Å; L66-I149 HydrophobicContact CD2-CD1 4.38Å; L66-I149 HydrophobicContact CD2-CG2 4.01Å; L66-F151 HydrophobicContact CD1-CE1 3.99Å; L66-F151 HydrophobicContact CD1-CZ 4.08Å; L66-F151 HydrophobicContact CD2-CD1 3.7Å; L66-F151 HydrophobicContact CD2-CE1 3.75Å; L66-F151 HydrophobicContact CD2-CG 4.31Å; L66-F151 HydrophobicContact CD2-CZ 4.37Å
67L98.9Very high97.5Very high0 Ų025.7 Ų25.70%014%0.136CC..EExtended strand (participates in β ladder)trans-121.7122172.5173.556000109.4M38 C41 I69 L80 F83 L84 F89 R92 T93 F94M38-L67 HydrophobicContact CB-CD1 3.77Å; M38-L67 HydrophobicContact CG-CD1 3.62Å; M38-L67 WeakPolarHBondContact O-CA 3.28Å; M38-L67 WeakPolarHBondContact O-CD1 3.05Å; M38-L67 HydrophobicContact SD-CD1 3.8Å; C41-L67 HydrophobicContact CB-CD1 4.36Å; L67-I69 HydrophobicContact CD1-CD1 3.75Å; L67-I69 HydrophobicContact CD2-CD1 4.42Å; L67-I69 HydrophobicContact CG-CD1 3.98Å; L67-I69 HydrophobicContact CG-CG1 4.45Å; L67-L80 HydrophobicContact CD2-CD1 3.35Å; L67-L80 HydrophobicContact CG-CD1 4.39Å; L67-F83 HydrophobicContact CD2-CD1 3.89Å; L67-F83 HydrophobicContact CD2-CE1 4.05Å; L67-L84 HydrophobicContact CD2-CD2 4.44Å; L67-F89 HydrophobicContact CB-CZ 4.12Å; L67-R92 PolarHBondContact N-O 2.77Å; L67-T93 HydrophobicContact CB-CG2 4.26Å; L67-T93 HydrophobicContact CD2-CG2 4.02Å; L67-T93 HydrophobicContact CG-CG2 3.96Å; L67-T93 CarbonylContact O-C 3.58Å; L67-T93 VanDerWaalsContact O-CA 3.28Å; L67-T93 WeakPolarHBondContact O-CA 3.36Å; L67-F94 PolarHBondContact O-N 2.88Å
68L98.9Very high97.5Very high0 Ų019.4 Ų19.40%010%0.102CC..EExtended strand (participates in β ladder)trans-114.5122.8-179.8-59.1178.4000109.5I37 M38 L39 D40 L66 F94 F151 F165 I167I37-L68 HydrophobicContact CG2-CD1 4.47Å; M38-L68 PolarHBondContact O-N 2.9Å; L39-L68 HydrophobicContact CD2-CB 4.16Å; L39-L68 HydrophobicContact CD2-CD1 4.06Å; L39-L68 HydrophobicContact CD2-CG 4.47Å; D40-L68 PolarHBondContact N-O 3.45Å; L66-L68 HydrophobicContact CD1-CD2 4.29Å; L66-L68 HydrophobicContact CD2-CD1 4.2Å; L66-L68 HydrophobicContact CD2-CD2 3.99Å; L66-L68 HydrophobicContact CD2-CG 4.12Å; L66-L68 HydrophobicContact CG-CD2 3.97Å; L66-L68 HydrophobicContact CG-CG 4.16Å; L68-F94 HydrophobicContact CD2-CB 3.88Å; L68-F94 HydrophobicContact CD2-CD2 4.36Å; L68-F94 HydrophobicContact CD2-CG 4.45Å; L68-F151 HydrophobicContact CD1-CB 4.47Å; L68-F151 HydrophobicContact CD1-CD2 4.46Å; L68-F151 HydrophobicContact CD1-CG 4.49Å; L68-F151 HydrophobicContact CD2-CD2 3.81Å; L68-F151 HydrophobicContact CD2-CE2 3.77Å; L68-F151 HydrophobicContact CD2-CG 4.39Å; L68-F151 HydrophobicContact CD2-CZ 4.34Å; L68-F165 HydrophobicContact CB-CD1 4.34Å; L68-F165 HydrophobicContact CB-CD2 4.12Å; L68-F165 HydrophobicContact CB-CE1 4.43Å; L68-F165 HydrophobicContact CB-CE2 4.22Å; L68-F165 HydrophobicContact CB-CG 4.17Å; L68-F165 HydrophobicContact CB-CZ 4.36Å; L68-F165 HydrophobicContact CD1-CB 4.06Å; L68-F165 HydrophobicContact CD1-CD1 3.87Å; L68-F165 HydrophobicContact CD1-CG 3.98Å; L68-F165 HydrophobicContact CD2-CD1 4.19Å; L68-F165 HydrophobicContact CD2-CE1 4.02Å; L68-F165 HydrophobicContact CG-CD1 4.36Å; L68-I167 HydrophobicContact CD1-CD1 3.75Å; L68-I167 HydrophobicContact CD1-CG1 3.89Å
69I98.9Very high97.6Very high0 Ų015.8 Ų15.80%08%0.083CC..  trans-107.3115.5179.3-53-61.1000109.9D40 C41 L67 H71 C77 L80 T93 F94 M95 F165D40-I69 VanDerWaalsContact OD1-CA 3.27Å; D40-I69 WeakPolarHBondContact OD1-CA 3.22Å; C41-I69 HydrophobicContact CB-CD1 4.33Å; L67-I69 HydrophobicContact CD1-CD1 3.75Å; L67-I69 HydrophobicContact CD2-CD1 4.42Å; L67-I69 HydrophobicContact CG-CD1 3.98Å; L67-I69 HydrophobicContact CG-CG1 4.45Å; I69-H71 WeakPolarHBondContact CG2-O 3.4Å; I69-C77 HydrophobicContact CG2-CB 3.73Å; I69-L80 HydrophobicContact CD1-CD1 4.23Å; I69-L80 HydrophobicContact CD1-CD2 4.41Å; I69-L80 HydrophobicContact CG1-CD2 4.05Å; I69-T93 HydrophobicContact CG1-CG2 4.31Å; I69-F94 PolarHBondContact N-O 3.1Å; I69-M95 HydrophobicContact CB-CE 3.88Å; I69-M95 HydrophobicContact CB-CG 3.74Å; I69-M95 HydrophobicContact CG1-CE 3.89Å; I69-M95 HydrophobicContact CG1-CG 4.28Å; I69-M95 HydrophobicContact CG2-CE 3.67Å; I69-M95 HydrophobicContact CG2-CG 4.23Å; I69-F165 WeakPolarHBondContact O-CE2 3.43Å
70S98.8Very high97.7Very high1 Ų114.9 Ų14.91%0.0078%0.079CC..  trans-62.8-51.1-17662.30000111.8D40 H76 A162 A163D40-S70 VanDerWaalsContact CG-OG 3.26Å; D40-S70 PolarHBondContact OD1-N 3.2Å; D40-S70 PolarHBondContact OD1-OG 3.01Å; D40-S70 VanDerWaalsContact OD1-OG 3.04Å; D40-S70 WeakPolarHBondContact OD2-CB 3.43Å; D40-S70 PolarHBondContact OD2-OG 2.97Å; S70-H76 PolarHBondContact OG-ND1 3.34Å; S70-A162 WeakPolarHBondContact O-CA 3.36Å; S70-A163 PolarHBondContact O-N 2.8Å
71H98.3Very high97.8Very high0 Ų011.5 Ų11.50%06%0.061CC..  trans-158.9-178.8-176.371.1-74.4000112.5I69 H73 H76 H158 V159 A162 D179I69-H71 WeakPolarHBondContact CG2-O 3.4Å; H71-H73 AromaticContact CD2-CG 3.48Å; H71-H73 VanDerWaalsContact CD2-CG 3.48Å; H71-H73 PolarHBondContact CD2-N 2.91Å; H71-H73 AromaticContact CD2-ND1 3.33Å; H71-H73 PolarHBondContact CD2-ND1 3.31Å; H71-H73 VanDerWaalsContact CD2-ND1 3.33Å; H71-H73 VanDerWaalsContact NE2-CB 3.34Å; H71-H73 WeakPolarHBondContact NE2-CB 3.46Å; H71-H73 AromaticContact NE2-CG 3.35Å; H71-H73 AromaticContact NE2-ND1 2.97Å; H71-H73 PolarHBondContact NE2-ND1 2.89Å; H71-H76 AromaticContact CE1-CD2 3.16Å; H71-H76 PolarHBondContact CE1-CD2 3.32Å; H71-H76 AromaticContact CE1-CE1 3.67Å; H71-H76 AromaticContact CE1-CG 3.24Å; H71-H76 AromaticContact CE1-ND1 3.56Å; H71-H76 AromaticContact CE1-NE2 3.48Å; H71-H76 PolarHBondContact CE1-NE2 3.45Å; H71-H76 AromaticContact ND1-CG 3.71Å; H71-H76 AromaticContact ND1-ND1 3.9Å; H71-H76 AromaticContact NE2-CD2 3.65Å; H71-H158 AromaticContact NE2-CD2 3.93Å; H71-H158 AromaticContact NE2-NE2 3.76Å; H71-V159 HydrophobicContact CB-CG2 3.86Å; H71-A162 HydrophobicContact CB-CB 3.66Å; H71-D179 IonicContact CE1-OD2 2.76Å; H71-D179 IonicContact NE2-OD2 3.93Å
72F96.4Very high97.8Very high0 Ų012.6 Ų12.60%06%0.063CC..SBendtrans-91.41.7-166.261.2-110.5000115.3C77 T99 I102 L106 V159 L160 L243F72-C77 VanDerWaalsContact C-SG 3.51Å; F72-C77 PolarHBondContact O-SG 2.97Å; F72-T99 HydrophobicContact CB-CG2 4.16Å; F72-I102 HydrophobicContact CB-CB 4.25Å; F72-I102 HydrophobicContact CB-CG2 3.97Å; F72-I102 HydrophobicContact CD1-CB 3.86Å; F72-I102 HydrophobicContact CD1-CD1 3.68Å; F72-I102 HydrophobicContact CD1-CG1 4.37Å; F72-I102 HydrophobicContact CD1-CG2 3.62Å; F72-I102 HydrophobicContact CD2-CG2 3.65Å; F72-I102 HydrophobicContact CE1-CB 4.33Å; F72-I102 HydrophobicContact CE1-CD1 3.41Å; F72-I102 VanDerWaalsContact CE1-CD1 3.41Å; F72-I102 HydrophobicContact CE1-CG1 4.45Å; F72-I102 HydrophobicContact CE1-CG2 3.9Å; F72-I102 HydrophobicContact CE2-CG2 3.93Å; F72-I102 HydrophobicContact CG-CB 4.02Å; F72-I102 HydrophobicContact CG-CG2 3.46Å; F72-I102 VanDerWaalsContact CG-CG2 3.46Å; F72-I102 HydrophobicContact CZ-CD1 4.15Å; F72-I102 HydrophobicContact CZ-CG2 4.03Å; F72-L106 HydrophobicContact CD2-CD1 3.51Å; F72-L106 HydrophobicContact CE2-CD1 4.02Å; F72-L106 WeakPolarHBondContact O-CD1 3.38Å; F72-V159 HydrophobicContact CD1-CG2 4.01Å; F72-V159 HydrophobicContact CE1-CB 3.68Å; F72-V159 HydrophobicContact CE1-CG2 3.57Å; F72-V159 HydrophobicContact CE2-CB 4.27Å; F72-V159 HydrophobicContact CE2-CG1 4.38Å; F72-V159 HydrophobicContact CE2-CG2 4.27Å; F72-V159 HydrophobicContact CZ-CB 3.51Å; F72-V159 HydrophobicContact CZ-CG1 3.99Å; F72-V159 HydrophobicContact CZ-CG2 3.74Å; F72-L160 WeakPolarHBondContact CE1-O 3.4Å; F72-L243 HydrophobicContact CE2-CB 4.19Å
73H95.1Very high97.8Very high32 Ų3211.7 Ų11.715%0.1486%0.056CC..SBendtrans-68.6151.5179-68.9153.4000111.6H71 D75 H76 C77 H158 V159H71-H73 AromaticContact CD2-CG 3.48Å; H71-H73 VanDerWaalsContact CD2-CG 3.48Å; H71-H73 PolarHBondContact CD2-N 2.91Å; H71-H73 AromaticContact CD2-ND1 3.33Å; H71-H73 PolarHBondContact CD2-ND1 3.31Å; H71-H73 VanDerWaalsContact CD2-ND1 3.33Å; H71-H73 VanDerWaalsContact NE2-CB 3.34Å; H71-H73 WeakPolarHBondContact NE2-CB 3.46Å; H71-H73 AromaticContact NE2-CG 3.35Å; H71-H73 AromaticContact NE2-ND1 2.97Å; H71-H73 PolarHBondContact NE2-ND1 2.89Å; H73-D75 VanDerWaalsContact C-N 3.28Å; H73-D75 WeakPolarHBondContact CB-OD1 3.14Å; H73-D75 PolarHBondContact O-N 3.4Å; H73-H76 PolarHBondContact O-N 3.04Å; H73-C77 PolarHBondContact O-N 2.82Å; H73-C77 PolarHBondContact O-SG 3.24Å; H73-H158 AromaticContact CE1-CD2 3.99Å; H73-H158 AromaticContact CE1-CE1 3.83Å; H73-H158 AromaticContact CE1-NE2 3.07Å; H73-H158 PolarHBondContact CE1-NE2 2.87Å; H73-H158 AromaticContact ND1-NE2 3.17Å; H73-H158 PolarHBondContact ND1-NE2 3.27Å; H73-H158 VanDerWaalsContact ND1-NE2 3.17Å; H73-V159 VanDerWaalsContact CE1-CG1 3.42Å; H73-V159 WeakPolarHBondContact CE1-CG1 3.3Å; H73-V159 WeakPolarHBondContact NE2-CG1 3.42Å
74L94.5Very high97.9Very high14 Ų147.2 Ų7.27%0.0734%0.035CC..Hα-helixtrans-60.9-37.1-172.3-70.7175.7000113.1G42 I43 H76 G78 L106 L107 Y110 F241G42-L74 VanDerWaalsContact CA-O 3.29Å; G42-L74 WeakPolarHBondContact CA-O 3.22Å; I43-L74 HydrophobicContact CD1-CB 4.36Å; I43-L74 HydrophobicContact CG1-CB 4.18Å; I43-L74 PolarHBondContact N-O 2.61Å; L74-H76 PolarHBondContact O-N 3.29Å; L74-G78 VanDerWaalsContact O-CA 3.22Å; L74-G78 WeakPolarHBondContact O-CA 3.44Å; L74-G78 PolarHBondContact O-N 3.12Å; L74-L106 HydrophobicContact CD1-CD2 4.49Å; L74-L106 HydrophobicContact CD2-CD2 3.39Å; L74-L106 HydrophobicContact CG-CD2 3.7Å; L74-L107 HydrophobicContact CD2-CD2 3.28Å; L74-Y110 HydrophobicContact CD1-CD2 3.78Å; L74-Y110 HydrophobicContact CD1-CE2 4.47Å; L74-Y110 HydrophobicContact CD1-CG 4.35Å; L74-Y110 HydrophobicContact CD2-CD2 4.14Å; L74-Y110 HydrophobicContact CD2-CG 3.95Å; L74-F241 HydrophobicContact CD1-CE1 3.86Å; L74-F241 HydrophobicContact CD1-CZ 3.84Å
75D96.5Very high97.9Very high22 Ų229.2 Ų9.212%0.1184%0.044CC..Hα-helixtrans-69.5-6.1175.250.8-23.9000114.3S26 G42 I43 H73 H418S26-D75 WeakPolarHBondContact CA-O 3.5Å; S26-D75 WeakPolarHBondContact CB-O 3.48Å; S26-D75 PolarHBondContact N-O 2.74Å; S26-D75 PolarHBondContact OG-O 2.74Å; G42-D75 WeakPolarHBondContact CA-O 3.27Å; I43-D75 WeakPolarHBondContact O-CA 3.32Å; H73-D75 VanDerWaalsContact C-N 3.28Å; H73-D75 WeakPolarHBondContact CB-OD1 3.14Å; H73-D75 PolarHBondContact O-N 3.4Å; D75-H418 IonicContact OD2-CE1 2.83Å; D75-H418 IonicContact OD2-NE2 2.68Å; D75-H418 PolarHBondContact OD2-NE2 3.25Å
76H98.6Very high97.8Very high0 Ų012 Ų120%05%0.054CC..Hα-helixtrans-118.9-24.6174.5-68.6-101.4000113.9S26 D40 C41 G42 S70 H71 H73 L74 D179 H418S26-H76 PolarHBondContact OG-CE1 2.9Å; S26-H76 VanDerWaalsContact OG-CE1 3.25Å; S26-H76 PolarHBondContact OG-NE2 3.39Å; D40-H76 HydrophobicContact CB-CB 4.22Å; D40-H76 WeakPolarHBondContact CB-O 3.16Å; D40-H76 IonicContact OD2-CE1 3.23Å; D40-H76 IonicContact OD2-CG 3.86Å; D40-H76 IonicContact OD2-ND1 2.93Å; D40-H76 PolarHBondContact OD2-ND1 3.17Å; C41-H76 CarbonylContact C-O 3.52Å; C41-H76 VanDerWaalsContact C-O 3.26Å; C41-H76 PolarHBondContact N-O 3.44Å; G42-H76 PolarHBondContact N-O 2.89Å; S70-H76 PolarHBondContact OG-ND1 3.34Å; H71-H76 AromaticContact CE1-CD2 3.16Å; H71-H76 PolarHBondContact CE1-CD2 3.32Å; H71-H76 AromaticContact CE1-CE1 3.67Å; H71-H76 AromaticContact CE1-CG 3.24Å; H71-H76 AromaticContact CE1-ND1 3.56Å; H71-H76 AromaticContact CE1-NE2 3.48Å; H71-H76 PolarHBondContact CE1-NE2 3.45Å; H71-H76 AromaticContact ND1-CG 3.71Å; H71-H76 AromaticContact ND1-ND1 3.9Å; H71-H76 AromaticContact NE2-CD2 3.65Å; H73-H76 PolarHBondContact O-N 3.04Å; L74-H76 PolarHBondContact O-N 3.29Å; H76-D179 IonicContact CE1-OD1 3.97Å; H76-D179 IonicContact NE2-OD1 3.87Å; H76-D179 IonicContact NE2-OD2 3.76Å; H76-D179 PolarHBondContact NE2-OD2 3.46Å; H76-H418 AromaticContact NE2-CD2 3.75Å; H76-H418 AromaticContact NE2-CE1 3.94Å; H76-H418 AromaticContact NE2-NE2 3.51Å
77C98.3Very high97.8Very high0 Ų013.8 Ų13.80%07%0.065CC..Hα-helixtrans-134.50-17875.70000115.3C41 I69 F72 H73 A79 L80 M95 Y103C41-C77 CarbonylContact O-C 3.58Å; C41-C77 WeakPolarHBondContact O-CA 3.43Å; I69-C77 HydrophobicContact CG2-CB 3.73Å; F72-C77 VanDerWaalsContact C-SG 3.51Å; F72-C77 PolarHBondContact O-SG 2.97Å; H73-C77 PolarHBondContact O-N 2.82Å; H73-C77 PolarHBondContact O-SG 3.24Å; C77-A79 VanDerWaalsContact C-N 3.33Å; C77-A79 PolarHBondContact O-N 2.84Å; C77-L80 WeakPolarHBondContact O-CB 3.04Å; C77-L80 PolarHBondContact O-N 3.36Å; C77-M95 HydrophobicContact CB-CE 4.27Å; C77-Y103 HydrophobicContact CB-CD2 4.13Å; C77-Y103 HydrophobicContact CB-CE2 4.37Å
78G97.1Very high97.8Very high0 Ų016.9 Ų16.90%09%0.087CC..THydrogen-bonded Turntrans-68.5-24.9-173.700000114.7C41 L74 L80 Y123C41-G78 PolarHBondContact O-N 3.07Å; L74-G78 VanDerWaalsContact O-CA 3.22Å; L74-G78 WeakPolarHBondContact O-CA 3.44Å; L74-G78 PolarHBondContact O-N 3.12Å; G78-L80 VanDerWaalsContact C-N 3.31Å; G78-Y123 WeakPolarHBondContact O-CE1 3.44Å; G78-Y123 PolarHBondContact O-OH 3.24Å; G78-Y123 VanDerWaalsContact O-OH 3.04Å
79A98.2Very high97.7Very high0 Ų017.9 Ų17.90%09%0.091CC..THydrogen-bonded Turntrans-87.5-4.217600000112.4C41 G42 I43 L53 C77 W82 F83C41-A79 PolarHBondContact O-N 3.36Å; G42-A79 WeakPolarHBondContact O-CB 3.44Å; I43-A79 HydrophobicContact CG2-CB 3.9Å; L53-A79 HydrophobicContact CD2-CB 3.63Å; C77-A79 VanDerWaalsContact C-N 3.33Å; C77-A79 PolarHBondContact O-N 2.84Å; A79-W82 PolarHBondContact O-N 3.32Å; A79-F83 PolarHBondContact O-N 3.27Å
80L98.6Very high97.7Very high0 Ų025.5 Ų25.50%012%0.124CC..Hα-helixtrans-62.3-43.9-171.8-172.665.3000114.4C41 L67 I69 C77 G78 W82 F83 L84 T93 M95 Y103 I135C41-L80 HydrophobicContact CB-CD1 4.48Å; C41-L80 PolarHBondContact O-N 2.97Å; L67-L80 HydrophobicContact CD2-CD1 3.35Å; L67-L80 HydrophobicContact CG-CD1 4.39Å; I69-L80 HydrophobicContact CD1-CD1 4.23Å; I69-L80 HydrophobicContact CD1-CD2 4.41Å; I69-L80 HydrophobicContact CG1-CD2 4.05Å; C77-L80 WeakPolarHBondContact O-CB 3.04Å; C77-L80 PolarHBondContact O-N 3.36Å; G78-L80 VanDerWaalsContact C-N 3.31Å; L80-W82 VanDerWaalsContact C-N 3.31Å; L80-W82 PolarHBondContact O-N 3.28Å; L80-F83 PolarHBondContact O-N 3.32Å; L80-L84 HydrophobicContact CD1-CD1 3.82Å; L80-L84 HydrophobicContact CD1-CD2 4.18Å; L80-L84 HydrophobicContact CD1-CG 3.75Å; L80-L84 HydrophobicContact CD2-CD1 4.27Å; L80-L84 HydrophobicContact CG-CD1 3.73Å; L80-L84 HydrophobicContact CG-CG 4.02Å; L80-L84 WeakPolarHBondContact O-CB 3.3Å; L80-L84 VanDerWaalsContact O-CG 3.32Å; L80-L84 WeakPolarHBondContact O-CG 3.5Å; L80-L84 PolarHBondContact O-N 3.43Å; L80-T93 HydrophobicContact CD1-CG2 4.31Å; L80-T93 HydrophobicContact CD2-CG2 4.49Å; L80-M95 HydrophobicContact CD2-CE 3.32Å; L80-Y103 HydrophobicContact CB-CE2 4.09Å; L80-Y103 HydrophobicContact CD2-CE2 3.76Å; L80-Y103 HydrophobicContact CG-CE2 4.39Å; L80-I135 HydrophobicContact CD2-CD1 3.86Å; L80-I135 HydrophobicContact CD2-CG1 4.4Å
81P98.3Very high97.6Very high0 Ų026.4 Ų26.40%013%0.134CC..Hα-helixtrans-60.1-42.7177.3-21.731.4000112.3L84 Q85 Y103 L107 Y123 L128P81-L84 PolarHBondContact O-N 3.28Å; P81-Q85 WeakPolarHBondContact O-CB 3.48Å; P81-Q85 PolarHBondContact O-N 3.35Å; P81-Y103 WeakPolarHBondContact CD-OH 3.26Å; P81-Y103 VanDerWaalsContact CG-OH 3.3Å; P81-Y103 WeakPolarHBondContact CG-OH 3.32Å; P81-L107 HydrophobicContact CG-CD1 3.47Å; P81-L107 VanDerWaalsContact CG-CD1 3.47Å; P81-Y123 HydrophobicContact CB-CD1 4.06Å; P81-Y123 HydrophobicContact CB-CD2 3.64Å; P81-Y123 HydrophobicContact CB-CE1 4.33Å; P81-Y123 HydrophobicContact CB-CE2 3.94Å; P81-Y123 HydrophobicContact CB-CG 3.72Å; P81-Y123 HydrophobicContact CG-CD1 4.35Å; P81-Y123 HydrophobicContact CG-CD2 3.89Å; P81-Y123 HydrophobicContact CG-CE1 4.11Å; P81-Y123 HydrophobicContact CG-CE2 3.62Å; P81-Y123 HydrophobicContact CG-CG 4.25Å; P81-L128 HydrophobicContact CG-CD1 3.94Å
82W98Very high97.6Very high37 Ų3731.1 Ų31.114%0.1415%0.152CC..Hα-helixtrans-61.2-47.5174.9172.891.9000110.7M50 L53 I56 A79 L80 L84 K86 T87 Y123M50-W82 HydrophobicContact CE-CZ2 4.07Å; L53-W82 HydrophobicContact CD1-CD2 3.95Å; L53-W82 HydrophobicContact CD1-CE3 4.12Å; L53-W82 HydrophobicContact CD1-CH2 3.97Å; L53-W82 HydrophobicContact CD1-CZ2 3.77Å; L53-W82 HydrophobicContact CD1-CZ3 4.13Å; L53-W82 HydrophobicContact CD2-CD2 4.28Å; L53-W82 HydrophobicContact CD2-CE3 4.11Å; I56-W82 HydrophobicContact CB-CH2 4.35Å; I56-W82 HydrophobicContact CB-CZ3 4.41Å; I56-W82 HydrophobicContact CG1-CZ3 4.14Å; I56-W82 HydrophobicContact CG2-CH2 4.18Å; I56-W82 HydrophobicContact CG2-CZ3 4.24Å; A79-W82 PolarHBondContact O-N 3.32Å; L80-W82 VanDerWaalsContact C-N 3.31Å; L80-W82 PolarHBondContact O-N 3.28Å; W82-L84 PolarHBondContact O-N 3.1Å; W82-K86 WeakPolarHBondContact O-CA 3.31Å; W82-K86 WeakPolarHBondContact O-CB 3.17Å; W82-K86 PolarHBondContact O-N 3.34Å; W82-T87 HydrophobicContact CD2-CG2 4.45Å; W82-T87 HydrophobicContact CE3-CG2 4.15Å; W82-T87 HydrophobicContact CH2-CG2 3.8Å; W82-T87 HydrophobicContact CZ2-CG2 4.12Å; W82-T87 HydrophobicContact CZ3-CG2 3.82Å; W82-Y123 HydrophobicContact CB-CD1 3.97Å
83F98.6Very high97.7Very high0 Ų031.1 Ų31.10%015%0.152CC..Hα-helixtrans-62.7-43-179.2-170.8-104.8000112.3M38 I56 P61 L67 A79 L80 T87 F89M38-F83 HydrophobicContact CE-CE1 4.2Å; M38-F83 HydrophobicContact CE-CE2 3.69Å; M38-F83 HydrophobicContact CE-CZ 3.49Å; M38-F83 VanDerWaalsContact CE-CZ 3.49Å; M38-F83 HydrophobicContact SD-CD1 4.46Å; M38-F83 HydrophobicContact SD-CE1 3.97Å; M38-F83 HydrophobicContact SD-CE2 4.26Å; M38-F83 HydrophobicContact SD-CZ 3.86Å; I56-F83 HydrophobicContact CD1-CE2 4.5Å; I56-F83 HydrophobicContact CG2-CD2 4.33Å; I56-F83 HydrophobicContact CG2-CE2 4.04Å; P61-F83 HydrophobicContact CB-CE2 3.86Å; P61-F83 HydrophobicContact CB-CZ 3.95Å; P61-F83 HydrophobicContact CG-CE2 4.03Å; L67-F83 HydrophobicContact CD2-CD1 3.89Å; L67-F83 HydrophobicContact CD2-CE1 4.05Å; A79-F83 PolarHBondContact O-N 3.27Å; L80-F83 PolarHBondContact O-N 3.32Å; F83-T87 HydrophobicContact CD2-CG2 4.11Å; F83-T87 WeakPolarHBondContact O-CB 3.43Å; F83-T87 WeakPolarHBondContact O-CG2 3.25Å; F83-T87 PolarHBondContact O-OG1 2.99Å; F83-F89 HydrophobicContact CD1-CB 4.31Å; F83-F89 HydrophobicContact CD1-CD1 4.4Å; F83-F89 HydrophobicContact CD1-CD2 4.48Å; F83-F89 HydrophobicContact CD1-CG 4.15Å; F83-F89 HydrophobicContact CE1-CB 3.82Å; F83-F89 HydrophobicContact CE1-CD1 4.1Å; F83-F89 AromaticContact CE1-CD2 3.46Å; F83-F89 HydrophobicContact CE1-CD2 3.46Å; F83-F89 VanDerWaalsContact CE1-CD2 3.46Å; F83-F89 AromaticContact CE1-CE2 3.99Å; F83-F89 HydrophobicContact CE1-CE2 3.99Å; F83-F89 AromaticContact CE1-CG 3.51Å; F83-F89 HydrophobicContact CE1-CG 3.51Å; F83-F89 HydrophobicContact CE1-CZ 4.48Å; F83-F89 HydrophobicContact CZ-CB 4.07Å; F83-F89 AromaticContact CZ-CD2 3.87Å; F83-F89 HydrophobicContact CZ-CD2 3.87Å; F83-F89 HydrophobicContact CZ-CG 4.1Å
84L98.5Very high97.9Very high2 Ų229.6 Ų29.61%0.0115%0.145CC..Hα-helixtrans-76.3-30.6-176.6-66.9-177.4000114.2L67 L80 P81 W82 F89 T93 K134 I135L67-L84 HydrophobicContact CD2-CD2 4.44Å; L80-L84 HydrophobicContact CD1-CD1 3.82Å; L80-L84 HydrophobicContact CD1-CD2 4.18Å; L80-L84 HydrophobicContact CD1-CG 3.75Å; L80-L84 HydrophobicContact CD2-CD1 4.27Å; L80-L84 HydrophobicContact CG-CD1 3.73Å; L80-L84 HydrophobicContact CG-CG 4.02Å; L80-L84 WeakPolarHBondContact O-CB 3.3Å; L80-L84 VanDerWaalsContact O-CG 3.32Å; L80-L84 WeakPolarHBondContact O-CG 3.5Å; L80-L84 PolarHBondContact O-N 3.43Å; P81-L84 PolarHBondContact O-N 3.28Å; W82-L84 PolarHBondContact O-N 3.1Å; L84-F89 HydrophobicContact CD2-CD1 3.48Å; L84-F89 VanDerWaalsContact CD2-CD1 3.48Å; L84-F89 HydrophobicContact CD2-CE1 3.42Å; L84-F89 VanDerWaalsContact CD2-CE1 3.42Å; L84-T93 WeakPolarHBondContact CD2-OG1 3.43Å; L84-K134 HydrophobicContact CB-CD 4.26Å; L84-K134 HydrophobicContact CD1-CB 4.33Å; L84-K134 PolarHBondContact O-NZ 2.88Å; L84-I135 HydrophobicContact CD1-CD1 4.17Å; L84-I135 HydrophobicContact CD1-CG1 3.8Å
85Q97.9Very high98.1Very high45 Ų4528.9 Ų28.921%0.2114%0.141CC..Hα-helixtrans-105.6-31.3-174.6-60.2-55.8-1600114.1P81 D127 E130P81-Q85 WeakPolarHBondContact O-CB 3.48Å; P81-Q85 PolarHBondContact O-N 3.35Å; Q85-D127 HydrophobicContact CG-CB 4.38Å; Q85-D127 WeakPolarHBondContact CG-O 2.95Å; Q85-E130 PolarHBondContact NE2-O 3.3Å; Q85-E130 VanDerWaalsContact NE2-O 3.09Å
86K97.4Very high98.2Very high100 Ų10027.9 Ų27.944%0.43514%0.136SC..Hα-helixtrans-110.312.4-170-54.6-161.6178179.50113.7W82 L122 D127W82-K86 WeakPolarHBondContact O-CA 3.31Å; W82-K86 WeakPolarHBondContact O-CB 3.17Å; W82-K86 PolarHBondContact O-N 3.34Å; K86-L122 PolarHBondContact NZ-O 3.48Å; K86-D127 VanDerWaalsContact CE-OD2 3.25Å; K86-D127 WeakPolarHBondContact CE-OD2 3.48Å; K86-D127 IonicContact NZ-OD2 3.4Å; K86-D127 PolarHBondContact NZ-OD2 2.73Å
87T98.1Very high98.2Very high36 Ų3631 Ų3122%0.22115%0.15CC..SBendtrans-127.1175.6175.683.90000112.1W82 F83 F89W82-T87 HydrophobicContact CD2-CG2 4.45Å; W82-T87 HydrophobicContact CE3-CG2 4.15Å; W82-T87 HydrophobicContact CH2-CG2 3.8Å; W82-T87 HydrophobicContact CZ2-CG2 4.12Å; W82-T87 HydrophobicContact CZ3-CG2 3.82Å; F83-T87 HydrophobicContact CD2-CG2 4.11Å; F83-T87 WeakPolarHBondContact O-CB 3.43Å; F83-T87 WeakPolarHBondContact O-CG2 3.25Å; F83-T87 PolarHBondContact O-OG1 2.99Å; T87-F89 PolarHBondContact O-N 2.85Å; T87-F89 WeakPolarHBondContact OG1-CB 3.41Å; T87-F89 PolarHBondContact OG1-N 3.1Å
88S98.2Very high98.1Very high65 Ų6531.2 Ų31.246%0.45515%0.152SC..  trans-77.76.4176.355.60000114.3D60 A62 K90D60-S88 PolarHBondContact OD1-OG 3.22Å; A62-S88 WeakPolarHBondContact CA-O 3.39Å; A62-S88 PolarHBondContact N-OG 2.96Å; S88-K90 PolarHBondContact O-N 3.25Å
89F98.5Very high98.1Very high22 Ų2231.2 Ų31.210%0.09615%0.152CC..  trans-58.9131.4-177.8177-104.3000112.5P61 I64 L67 F83 L84 T87 G91P61-F89 HydrophobicContact CB-CB 4Å; P61-F89 WeakPolarHBondContact O-CA 3.42Å; P61-F89 WeakPolarHBondContact O-CD2 3.26Å; I64-F89 HydrophobicContact CB-CD2 4.02Å; I64-F89 HydrophobicContact CB-CE2 3.9Å; I64-F89 HydrophobicContact CG2-CD2 4.44Å; I64-F89 HydrophobicContact CG2-CE2 3.89Å; L67-F89 HydrophobicContact CB-CZ 4.12Å; F83-F89 HydrophobicContact CD1-CB 4.31Å; F83-F89 HydrophobicContact CD1-CD1 4.4Å; F83-F89 HydrophobicContact CD1-CD2 4.48Å; F83-F89 HydrophobicContact CD1-CG 4.15Å; F83-F89 HydrophobicContact CE1-CB 3.82Å; F83-F89 HydrophobicContact CE1-CD1 4.1Å; F83-F89 AromaticContact CE1-CD2 3.46Å; F83-F89 HydrophobicContact CE1-CD2 3.46Å; F83-F89 VanDerWaalsContact CE1-CD2 3.46Å; F83-F89 AromaticContact CE1-CE2 3.99Å; F83-F89 HydrophobicContact CE1-CE2 3.99Å; F83-F89 AromaticContact CE1-CG 3.51Å; F83-F89 HydrophobicContact CE1-CG 3.51Å; F83-F89 HydrophobicContact CE1-CZ 4.48Å; F83-F89 HydrophobicContact CZ-CB 4.07Å; F83-F89 AromaticContact CZ-CD2 3.87Å; F83-F89 HydrophobicContact CZ-CD2 3.87Å; F83-F89 HydrophobicContact CZ-CG 4.1Å; L84-F89 HydrophobicContact CD2-CD1 3.48Å; L84-F89 VanDerWaalsContact CD2-CD1 3.48Å; L84-F89 HydrophobicContact CD2-CE1 3.42Å; L84-F89 VanDerWaalsContact CD2-CE1 3.42Å; T87-F89 PolarHBondContact O-N 2.85Å; T87-F89 WeakPolarHBondContact OG1-CB 3.41Å; T87-F89 PolarHBondContact OG1-N 3.1Å; F89-G91 VanDerWaalsContact CE1-O 3.3Å; F89-G91 WeakPolarHBondContact CE1-O 3.4Å; F89-G91 VanDerWaalsContact CZ-CA 3.43Å; F89-G91 WeakPolarHBondContact CZ-O 3.32Å
90K96.9Very high98.1Very high159 Ų15933.3 Ų33.369%0.69116%0.161SC*.  trans-134.76.6-179.762174.9-176.5-76.50114A62 S88A62-K90 WeakPolarHBondContact O-CE 3.43Å; A62-K90 PolarHBondContact O-NZ 2.91Å; S88-K90 PolarHBondContact O-N 3.25Å
91G97.7Very high97.9Very high21 Ų2134.4 Ų34.422%0.21617%0.17CC..SBendtrans-74.5-174.9176.900000112.6I64 D65 F89I64-G91 WeakPolarHBondContact O-CA 3.38Å; D65-G91 WeakPolarHBondContact O-CA 3.31Å; F89-G91 VanDerWaalsContact CE1-O 3.3Å; F89-G91 WeakPolarHBondContact CE1-O 3.4Å; F89-G91 VanDerWaalsContact CZ-CA 3.43Å; F89-G91 WeakPolarHBondContact CZ-O 3.32Å
92R98.6Very high97.7Very high98 Ų9834.4 Ų34.437%0.3717%0.17SC..EExtended strand (participates in β ladder)trans-102.5140.2178.8-65.3171.565.8-173.62.8110.7D65 L66 L67 F94 E136 V146D65-R92 PolarHBondContact O-N 3.43Å; D65-R92 VanDerWaalsContact O-N 3.09Å; L66-R92 WeakPolarHBondContact CA-O 3.48Å; L67-R92 PolarHBondContact N-O 2.77Å; R92-F94 HydrophobicContact CB-CE2 3.87Å; R92-E136 IonicContact CZ-OE1 3.47Å; R92-E136 IonicContact CZ-OE2 3.76Å; R92-E136 IonicContact NE-OE1 3.32Å; R92-E136 PolarHBondContact NE-OE1 3.39Å; R92-E136 IonicContact NE-OE2 3.78Å; R92-E136 VanDerWaalsContact NH2-CD 3.33Å; R92-E136 IonicContact NH2-OE1 2.73Å; R92-E136 PolarHBondContact NH2-OE1 2.95Å; R92-E136 VanDerWaalsContact NH2-OE1 3.16Å; R92-E136 IonicContact NH2-OE2 3.18Å; R92-E136 PolarHBondContact NH2-OE2 2.82Å; R92-V146 VanDerWaalsContact NH1-CG2 3.25Å
93T98.9Very high97.5Very high0 Ų032.6 Ų32.60%016%0.163CC..EExtended strand (participates in β ladder)trans-115.2135.9-178.4-58.70000110.6L67 I69 L80 L84 I135 E136L67-T93 HydrophobicContact CB-CG2 4.26Å; L67-T93 HydrophobicContact CD2-CG2 4.02Å; L67-T93 HydrophobicContact CG-CG2 3.96Å; L67-T93 CarbonylContact O-C 3.58Å; L67-T93 VanDerWaalsContact O-CA 3.28Å; L67-T93 WeakPolarHBondContact O-CA 3.36Å; I69-T93 HydrophobicContact CG1-CG2 4.31Å; L80-T93 HydrophobicContact CD1-CG2 4.31Å; L80-T93 HydrophobicContact CD2-CG2 4.49Å; L84-T93 WeakPolarHBondContact CD2-OG1 3.43Å; T93-I135 HydrophobicContact CG2-CG1 4.17Å; T93-I135 HydrophobicContact CG2-CG2 4.46Å; T93-E136 WeakPolarHBondContact O-CB 3.28Å; T93-E136 PolarHBondContact O-N 3.36Å
94F98.9Very high97.3Very high0 Ų034.1 Ų34.10%017%0.169CC..EExtended strand (participates in β ladder)trans-125.9138.9179.1-69.8-96.7000113.2L66 L67 L68 I69 R92 E136 I138 K144 V146 F151L66-F94 HydrophobicContact CD1-CD2 3.64Å; L66-F94 HydrophobicContact CD1-CE2 3.66Å; L67-F94 PolarHBondContact O-N 2.88Å; L68-F94 HydrophobicContact CD2-CB 3.88Å; L68-F94 HydrophobicContact CD2-CD2 4.36Å; L68-F94 HydrophobicContact CD2-CG 4.45Å; I69-F94 PolarHBondContact N-O 3.1Å; R92-F94 HydrophobicContact CB-CE2 3.87Å; F94-E136 WeakPolarHBondContact CA-O 3.34Å; F94-E136 HydrophobicContact CD1-CB 3.74Å; F94-E136 HydrophobicContact CE1-CB 3.56Å; F94-E136 HydrophobicContact CE1-CG 4.44Å; F94-E136 HydrophobicContact CG-CB 4.34Å; F94-E136 HydrophobicContact CZ-CB 4.01Å; F94-E136 HydrophobicContact CZ-CG 4.48Å; F94-I138 HydrophobicContact CD1-CB 4.26Å; F94-K144 HydrophobicContact CE1-CG 4.48Å; F94-V146 HydrophobicContact CE2-CG2 3.86Å; F94-V146 HydrophobicContact CZ-CG2 4.06Å; F94-F151 HydrophobicContact CB-CE2 4.25Å; F94-F151 HydrophobicContact CD1-CE2 4.11Å; F94-F151 HydrophobicContact CD1-CZ 4.13Å; F94-F151 HydrophobicContact CD2-CE2 4.04Å; F94-F151 AromaticContact CD2-CZ 3.66Å; F94-F151 HydrophobicContact CD2-CZ 3.66Å; F94-F151 HydrophobicContact CE1-CE2 4.49Å; F94-F151 HydrophobicContact CE1-CZ 4.11Å; F94-F151 HydrophobicContact CE2-CE2 4.44Å; F94-F151 AromaticContact CE2-CZ 3.66Å; F94-F151 HydrophobicContact CE2-CZ 3.66Å; F94-F151 AromaticContact CG-CE2 3.86Å; F94-F151 HydrophobicContact CG-CE2 3.86Å; F94-F151 AromaticContact CG-CZ 3.9Å; F94-F151 HydrophobicContact CG-CZ 3.9Å; F94-F151 AromaticContact CZ-CZ 3.88Å; F94-F151 HydrophobicContact CZ-CZ 3.88Å
95M98.9Very high96.9Very high0 Ų037 Ų370%018%0.179CC..EExtended strand (participates in β ladder)trans-132162.8169.6-79.3176.6176.700109.9I69 C77 L80 T99 K100 Y103 I135 E136 T137 I138I69-M95 HydrophobicContact CB-CE 3.88Å; I69-M95 HydrophobicContact CB-CG 3.74Å; I69-M95 HydrophobicContact CG1-CE 3.89Å; I69-M95 HydrophobicContact CG1-CG 4.28Å; I69-M95 HydrophobicContact CG2-CE 3.67Å; I69-M95 HydrophobicContact CG2-CG 4.23Å; C77-M95 HydrophobicContact CB-CE 4.27Å; L80-M95 HydrophobicContact CD2-CE 3.32Å; M95-T99 HydrophobicContact CB-CG2 4.15Å; M95-T99 HydrophobicContact CE-CG2 4.4Å; M95-T99 HydrophobicContact CG-CG2 3.85Å; M95-T99 HydrophobicContact SD-CG2 3.89Å; M95-K100 HydrophobicContact CB-CB 4.15Å; M95-K100 HydrophobicContact SD-CB 4.04Å; M95-K100 HydrophobicContact SD-CG 4.5Å; M95-Y103 HydrophobicContact CE-CD2 3.68Å; M95-Y103 HydrophobicContact CE-CE2 4.01Å; M95-Y103 HydrophobicContact CE-CG 3.94Å; M95-Y103 HydrophobicContact SD-CG 4.3Å; M95-I135 HydrophobicContact CB-CG2 4.05Å; M95-I135 HydrophobicContact CE-CD1 4.33Å; M95-I135 HydrophobicContact CG-CG2 3.94Å; M95-I135 HydrophobicContact SD-CD1 4.35Å; M95-I135 HydrophobicContact SD-CG2 3.76Å; M95-E136 PolarHBondContact N-O 3.39Å; M95-T137 CarbonylContact O-C 3.56Å; M95-T137 VanDerWaalsContact O-CA 3.24Å; M95-T137 WeakPolarHBondContact O-CA 3.28Å; M95-I138 PolarHBondContact O-N 3.2Å
96T98.6Very high96.5Very high1 Ų135.4 Ų35.41%0.00617%0.172CC..EExtended strand (participates in β ladder)trans-70.4161.2161.4730000110.6A98 T99 K100 F140 G161 A163T96-A98 VanDerWaalsContact C-N 3.34Å; T96-A98 PolarHBondContact O-N 3.38Å; T96-T99 PolarHBondContact O-N 3.33Å; T96-T99 WeakPolarHBondContact OG1-CB 3.48Å; T96-T99 PolarHBondContact OG1-N 3.12Å; T96-T99 PolarHBondContact OG1-OG1 3.39Å; T96-K100 PolarHBondContact O-N 3.28Å; T96-F140 HydrophobicContact CG2-CE1 4.04Å; T96-F140 HydrophobicContact CG2-CE2 4.29Å; T96-F140 HydrophobicContact CG2-CZ 3.79Å; T96-G161 WeakPolarHBondContact CB-O 3.4Å; T96-G161 VanDerWaalsContact CG2-O 3.26Å; T96-G161 WeakPolarHBondContact CG2-O 3.46Å; T96-G161 PolarHBondContact OG1-O 2.82Å; T96-A163 HydrophobicContact CG2-CB 3.64Å
97H97.6Very high96.2Very high65 Ų6530.6 Ų30.630%0.30115%0.151SC..Hα-helixtrans-56.7-45.5179.4-69.2-81.8000113.1A101 T137 N139 Y285H97-A101 PolarHBondContact O-N 3.42Å; H97-T137 VanDerWaalsContact CE1-CB 3.46Å; H97-T137 WeakPolarHBondContact CE1-CB 3.47Å; H97-T137 PolarHBondContact CE1-OG1 2.79Å; H97-N139 PolarHBondContact CD2-OD1 3.27Å; H97-N139 PolarHBondContact NE2-OD1 2.79Å; H97-N139 VanDerWaalsContact NE2-OD1 3.13Å; H97-Y285 HydrophobicContact CB-CE1 3.72Å; H97-Y285 PolarHBondContact O-OH 3.3Å
98A95.9Very high95.8Very high4 Ų429 Ų293%0.03314%0.142CC..Hα-helixtrans-67.3-42.917900000111.5T96 K100 A101 I102 L160 Y285T96-A98 VanDerWaalsContact C-N 3.34Å; T96-A98 PolarHBondContact O-N 3.38Å; A98-K100 PolarHBondContact O-N 3.28Å; A98-A101 PolarHBondContact O-N 3.38Å; A98-I102 WeakPolarHBondContact O-CB 3.44Å; A98-I102 VanDerWaalsContact O-CG1 3.29Å; A98-I102 WeakPolarHBondContact O-CG1 3.48Å; A98-I102 PolarHBondContact O-N 2.92Å; A98-L160 HydrophobicContact CB-CG 4.29Å; A98-Y285 HydrophobicContact CB-CD1 4.15Å; A98-Y285 HydrophobicContact CB-CD2 4.11Å; A98-Y285 HydrophobicContact CB-CG 3.86Å
99T97.4Very high95.1Very high0 Ų026.5 Ų26.50%012%0.123CC..Hα-helixtrans-57.3-48.9176.7-63.20000111.4F72 M95 T96 A101 I102 Y103 G161F72-T99 HydrophobicContact CB-CG2 4.16Å; M95-T99 HydrophobicContact CB-CG2 4.15Å; M95-T99 HydrophobicContact CE-CG2 4.4Å; M95-T99 HydrophobicContact CG-CG2 3.85Å; M95-T99 HydrophobicContact SD-CG2 3.89Å; T96-T99 PolarHBondContact O-N 3.33Å; T96-T99 WeakPolarHBondContact OG1-CB 3.48Å; T96-T99 PolarHBondContact OG1-N 3.12Å; T96-T99 PolarHBondContact OG1-OG1 3.39Å; T99-A101 VanDerWaalsContact C-N 3.35Å; T99-A101 PolarHBondContact O-N 3.32Å; T99-I102 PolarHBondContact O-N 3.47Å; T99-Y103 WeakPolarHBondContact O-CB 3.26Å; T99-Y103 PolarHBondContact O-N 3.06Å; T99-G161 PolarHBondContact OG1-O 3.38Å; T99-G161 VanDerWaalsContact OG1-O 3.05Å
100K97.7Very high94.5Very high45 Ų4528.2 Ų28.220%0.19613%0.129CC..Hα-helixtrans-60.7-41.4178.9-174.3177.9-179.7178.90112.6M95 T96 A98 R104 M132 I135 T137M95-K100 HydrophobicContact CB-CB 4.15Å; M95-K100 HydrophobicContact SD-CB 4.04Å; M95-K100 HydrophobicContact SD-CG 4.5Å; T96-K100 PolarHBondContact O-N 3.28Å; A98-K100 PolarHBondContact O-N 3.28Å; K100-R104 PolarHBondContact O-N 3.23Å; K100-M132 HydrophobicContact CD-CE 4.42Å; K100-M132 WeakPolarHBondContact CE-O 3.37Å; K100-M132 HydrophobicContact CG-CE 3.77Å; K100-M132 HydrophobicContact CG-SD 4.49Å; K100-M132 PolarHBondContact NZ-O 3.26Å; K100-I135 HydrophobicContact CD-CB 4.29Å; K100-I135 HydrophobicContact CD-CG2 3.94Å; K100-I135 WeakPolarHBondContact CE-O 3.41Å; K100-I135 HydrophobicContact CG-CG2 4.17Å; K100-I135 PolarHBondContact NZ-O 3.03Å; K100-T137 HydrophobicContact CB-CG2 4.16Å; K100-T137 HydrophobicContact CD-CG2 3.61Å; K100-T137 HydrophobicContact CG-CG2 4.5Å
101A95.1Very high94Very high22 Ų2221.6 Ų21.618%0.18210%0.102CC..Hα-helixtrans-68.4-38.8-179.800000112.7H97 A98 T99 W105 V281 Y285H97-A101 PolarHBondContact O-N 3.42Å; A98-A101 PolarHBondContact O-N 3.38Å; T99-A101 VanDerWaalsContact C-N 3.35Å; T99-A101 PolarHBondContact O-N 3.32Å; A101-W105 VanDerWaalsContact O-CD1 3.26Å; A101-V281 HydrophobicContact CB-CG1 3.92Å; A101-Y285 HydrophobicContact CB-CD2 4.5Å; A101-Y285 HydrophobicContact CB-CE2 3.47Å; A101-Y285 VanDerWaalsContact CB-CE2 3.47Å
102I93.7Very high93.2Very high0 Ų026.7 Ų26.70%012%0.119CC..Hα-helixtrans-74.9-41.9179.3-65.4172.1000110.7F72 A98 T99 R104 W105 L106 L160 L243 V281 Y282F72-I102 HydrophobicContact CB-CB 4.25Å; F72-I102 HydrophobicContact CB-CG2 3.97Å; F72-I102 HydrophobicContact CD1-CB 3.86Å; F72-I102 HydrophobicContact CD1-CD1 3.68Å; F72-I102 HydrophobicContact CD1-CG1 4.37Å; F72-I102 HydrophobicContact CD1-CG2 3.62Å; F72-I102 HydrophobicContact CD2-CG2 3.65Å; F72-I102 HydrophobicContact CE1-CB 4.33Å; F72-I102 HydrophobicContact CE1-CD1 3.41Å; F72-I102 VanDerWaalsContact CE1-CD1 3.41Å; F72-I102 HydrophobicContact CE1-CG1 4.45Å; F72-I102 HydrophobicContact CE1-CG2 3.9Å; F72-I102 HydrophobicContact CE2-CG2 3.93Å; F72-I102 HydrophobicContact CG-CB 4.02Å; F72-I102 HydrophobicContact CG-CG2 3.46Å; F72-I102 VanDerWaalsContact CG-CG2 3.46Å; F72-I102 HydrophobicContact CZ-CD1 4.15Å; F72-I102 HydrophobicContact CZ-CG2 4.03Å; A98-I102 WeakPolarHBondContact O-CB 3.44Å; A98-I102 VanDerWaalsContact O-CG1 3.29Å; A98-I102 WeakPolarHBondContact O-CG1 3.48Å; A98-I102 PolarHBondContact O-N 2.92Å; T99-I102 PolarHBondContact O-N 3.47Å; I102-R104 VanDerWaalsContact C-N 3.28Å; I102-R104 PolarHBondContact O-N 3.3Å; I102-W105 PolarHBondContact O-N 2.91Å; I102-L106 WeakPolarHBondContact O-CB 3.4Å; I102-L106 PolarHBondContact O-N 3.16Å; I102-L160 HydrophobicContact CD1-CB 4.2Å; I102-L160 HydrophobicContact CD1-CD2 4.24Å; I102-L160 HydrophobicContact CD1-CG 4.49Å; I102-L243 HydrophobicContact CG1-CD2 4.49Å; I102-L243 HydrophobicContact CG2-CB 3.91Å; I102-L243 HydrophobicContact CG2-CD1 3.69Å; I102-L243 HydrophobicContact CG2-CD2 4Å; I102-L243 HydrophobicContact CG2-CG 4.05Å; I102-V281 HydrophobicContact CD1-CG1 4.41Å; I102-V281 HydrophobicContact CG1-CG1 3.56Å; I102-Y282 HydrophobicContact CD1-CE2 4.01Å
103Y95.4Very high92.1Very high0 Ų023.4 Ų23.40%011%0.109CC..Hα-helixtrans-46.3-48.9176.1162.3-94.9000112.5C77 L80 P81 M95 T99 W105 L106 L107 L128 S131 M132 I135C77-Y103 HydrophobicContact CB-CD2 4.13Å; C77-Y103 HydrophobicContact CB-CE2 4.37Å; L80-Y103 HydrophobicContact CB-CE2 4.09Å; L80-Y103 HydrophobicContact CD2-CE2 3.76Å; L80-Y103 HydrophobicContact CG-CE2 4.39Å; P81-Y103 WeakPolarHBondContact CD-OH 3.26Å; P81-Y103 VanDerWaalsContact CG-OH 3.3Å; P81-Y103 WeakPolarHBondContact CG-OH 3.32Å; M95-Y103 HydrophobicContact CE-CD2 3.68Å; M95-Y103 HydrophobicContact CE-CE2 4.01Å; M95-Y103 HydrophobicContact CE-CG 3.94Å; M95-Y103 HydrophobicContact SD-CG 4.3Å; T99-Y103 WeakPolarHBondContact O-CB 3.26Å; T99-Y103 PolarHBondContact O-N 3.06Å; Y103-W105 VanDerWaalsContact C-N 3.26Å; Y103-W105 PolarHBondContact O-N 2.82Å; Y103-L106 PolarHBondContact O-N 3.33Å; Y103-L107 HydrophobicContact CD2-CD1 3.66Å; Y103-L107 HydrophobicContact CD2-CG 3.96Å; Y103-L107 HydrophobicContact CE2-CD1 3.13Å; Y103-L107 HydrophobicContact CE2-CG 3.95Å; Y103-L107 WeakPolarHBondContact O-CB 3.44Å; Y103-L107 PolarHBondContact O-N 2.94Å; Y103-L128 HydrophobicContact CD1-CD1 4.23Å; Y103-L128 HydrophobicContact CE1-CD1 3.49Å; Y103-L128 VanDerWaalsContact CE1-CD1 3.49Å; Y103-L128 HydrophobicContact CE2-CD1 4.46Å; Y103-S131 PolarHBondContact OH-OG 3.44Å; Y103-M132 HydrophobicContact CD1-SD 3.53Å; Y103-M132 VanDerWaalsContact CD1-SD 3.53Å; Y103-M132 HydrophobicContact CE1-SD 3.6Å; Y103-I135 HydrophobicContact CD1-CD1 4.22Å; Y103-I135 HydrophobicContact CE1-CD1 3.63Å
104R94.1Very high90.9Very high32 Ų3224.4 Ų24.412%0.12112%0.116CC..Hα-helixtrans-55.8-39.9179.7174.659-172.683.2-7.8112.9K100 I102 S108 E125 E129 M132K100-R104 PolarHBondContact O-N 3.23Å; I102-R104 VanDerWaalsContact C-N 3.28Å; I102-R104 PolarHBondContact O-N 3.3Å; R104-S108 WeakPolarHBondContact O-CB 3.29Å; R104-E125 IonicContact CZ-OE1 2.72Å; R104-E125 IonicContact NH1-OE1 3.36Å; R104-E125 PolarHBondContact NH1-OE1 3.05Å; R104-E125 IonicContact NH2-OE1 3.61Å; R104-E125 PolarHBondContact NH2-OE1 2.88Å; R104-E129 IonicContact CZ-OE1 2.8Å; R104-E129 IonicContact NH2-OE1 3.98Å; R104-E129 PolarHBondContact NH2-OE1 2.79Å; R104-M132 HydrophobicContact CB-CE 3.77Å; R104-M132 HydrophobicContact CB-SD 3.9Å; R104-M132 HydrophobicContact CG-CE 4.37Å
105W90.3Very high89.2Confident62 Ų6230.5 Ų30.524%0.23515%0.149CC..Hα-helixtrans-87.7-39.7-176.4-62.1113.5000111.8A101 I102 Y103 S108 D109 L243 L274 K277A101-W105 VanDerWaalsContact O-CD1 3.26Å; I102-W105 PolarHBondContact O-N 2.91Å; Y103-W105 VanDerWaalsContact C-N 3.26Å; Y103-W105 PolarHBondContact O-N 2.82Å; W105-S108 WeakPolarHBondContact O-CB 2.93Å; W105-S108 PolarHBondContact O-N 3.08Å; W105-D109 PolarHBondContact O-N 3.27Å; W105-L243 HydrophobicContact CB-CD1 4.3Å; W105-L274 HydrophobicContact CE3-CD2 3.9Å; W105-L274 WeakPolarHBondContact O-CD1 3.14Å; W105-K277 HydrophobicContact CD2-CB 4.41Å; W105-K277 HydrophobicContact CD2-CD 4.05Å; W105-K277 HydrophobicContact CE3-CD 3.7Å; W105-K277 HydrophobicContact CH2-CD 3.65Å; W105-K277 HydrophobicContact CZ2-CD 3.94Å; W105-K277 HydrophobicContact CZ3-CD 3.53Å
106L89.3Confident87.7Confident11 Ų1133.4 Ų33.46%0.05816%0.164CC..Hα-helixtrans-62.1-47.7178.8-168.1156.9000111.1F72 L74 I102 Y103 S108 D109 Y110 L243F72-L106 HydrophobicContact CD2-CD1 3.51Å; F72-L106 HydrophobicContact CE2-CD1 4.02Å; F72-L106 WeakPolarHBondContact O-CD1 3.38Å; L74-L106 HydrophobicContact CD1-CD2 4.49Å; L74-L106 HydrophobicContact CD2-CD2 3.39Å; L74-L106 HydrophobicContact CG-CD2 3.7Å; I102-L106 WeakPolarHBondContact O-CB 3.4Å; I102-L106 PolarHBondContact O-N 3.16Å; Y103-L106 PolarHBondContact O-N 3.33Å; L106-S108 VanDerWaalsContact C-N 3.25Å; L106-S108 PolarHBondContact O-N 2.96Å; L106-D109 WeakPolarHBondContact O-CB 3.25Å; L106-D109 PolarHBondContact O-N 3.2Å; L106-D109 VanDerWaalsContact O-N 3.11Å; L106-Y110 PolarHBondContact O-N 3.29Å; L106-L243 HydrophobicContact CB-CD1 4.09Å; L106-L243 HydrophobicContact CD1-CB 4.25Å
107L91.3Very high86Confident0 Ų036.5 Ų36.50%019%0.185CC..Hα-helixtrans-68.3-27178.2-65.8-160.1000112.8L74 P81 Y103 D109 Y110 V111 L128L74-L107 HydrophobicContact CD2-CD2 3.28Å; P81-L107 HydrophobicContact CG-CD1 3.47Å; P81-L107 VanDerWaalsContact CG-CD1 3.47Å; Y103-L107 HydrophobicContact CD2-CD1 3.66Å; Y103-L107 HydrophobicContact CD2-CG 3.96Å; Y103-L107 HydrophobicContact CE2-CD1 3.13Å; Y103-L107 HydrophobicContact CE2-CG 3.95Å; Y103-L107 WeakPolarHBondContact O-CB 3.44Å; Y103-L107 PolarHBondContact O-N 2.94Å; L107-D109 VanDerWaalsContact C-N 3.35Å; L107-Y110 PolarHBondContact O-N 3.3Å; L107-V111 WeakPolarHBondContact O-CG2 3.37Å; L107-V111 PolarHBondContact O-N 3.08Å; L107-L128 HydrophobicContact CB-CD1 3.81Å; L107-L128 HydrophobicContact CB-CD2 3.68Å; L107-L128 HydrophobicContact CB-CG 4.39Å; L107-L128 HydrophobicContact CD1-CD1 3.9Å; L107-L128 HydrophobicContact CG-CD1 4.35Å
108S89.1Confident84.5Confident2 Ų237.5 Ų37.51%0.01421%0.205CC..Hα-helixtrans-66.2-37.7170.8-172.70000112.2R104 W105 L106 K112 E125R104-S108 WeakPolarHBondContact O-CB 3.29Å; W105-S108 WeakPolarHBondContact O-CB 2.93Å; W105-S108 PolarHBondContact O-N 3.08Å; L106-S108 VanDerWaalsContact C-N 3.25Å; L106-S108 PolarHBondContact O-N 2.96Å; S108-K112 WeakPolarHBondContact O-CG 3.29Å; S108-K112 PolarHBondContact O-N 3.46Å; S108-E125 VanDerWaalsContact CA-OE2 3.24Å; S108-E125 WeakPolarHBondContact CA-OE2 3.35Å; S108-E125 WeakPolarHBondContact CB-OE1 3.47Å; S108-E125 WeakPolarHBondContact CB-OE2 3.18Å; S108-E125 PolarHBondContact OG-OE1 3.45Å; S108-E125 PolarHBondContact OG-OE2 3.45Å
109D84.1Confident83.1Confident13 Ų1344.8 Ų44.87%0.0724%0.243CC..Hα-helixtrans-63.5-46.1171.8-149.237.8000110.3W105 L106 L107 V111 K112 V113 L274 S328W105-D109 PolarHBondContact O-N 3.27Å; L106-D109 WeakPolarHBondContact O-CB 3.25Å; L106-D109 PolarHBondContact O-N 3.2Å; L106-D109 VanDerWaalsContact O-N 3.11Å; L107-D109 VanDerWaalsContact C-N 3.35Å; D109-V111 PolarHBondContact O-N 3.13Å; D109-K112 PolarHBondContact O-N 2.95Å; D109-K112 VanDerWaalsContact O-N 3.1Å; D109-V113 WeakPolarHBondContact O-CB 3.46Å; D109-V113 VanDerWaalsContact O-CG2 3.25Å; D109-V113 WeakPolarHBondContact O-CG2 3.33Å; D109-V113 PolarHBondContact O-N 3.26Å; D109-L274 HydrophobicContact CB-CD1 3.44Å; D109-L274 VanDerWaalsContact CB-CD1 3.44Å; D109-S328 PolarHBondContact OD2-OG 2.9Å
110Y86Confident82.2Confident57 Ų5749.3 Ų49.322%0.22427%0.267CS..Hα-helixtrans-58.3-47.2-179.8170.5-102.6000112.4I43 L74 L106 L107 K112 V113 S114 Y123I43-Y110 HydrophobicContact CD1-CD2 4.23Å; I43-Y110 HydrophobicContact CD1-CE1 3.87Å; I43-Y110 HydrophobicContact CD1-CE2 3.48Å; I43-Y110 VanDerWaalsContact CD1-CE2 3.48Å; I43-Y110 VanDerWaalsContact CD1-OH 3.27Å; I43-Y110 WeakPolarHBondContact CD1-OH 3.31Å; L74-Y110 HydrophobicContact CD1-CD2 3.78Å; L74-Y110 HydrophobicContact CD1-CE2 4.47Å; L74-Y110 HydrophobicContact CD1-CG 4.35Å; L74-Y110 HydrophobicContact CD2-CD2 4.14Å; L74-Y110 HydrophobicContact CD2-CG 3.95Å; L106-Y110 PolarHBondContact O-N 3.29Å; L107-Y110 PolarHBondContact O-N 3.3Å; Y110-K112 PolarHBondContact O-N 3.24Å; Y110-V113 PolarHBondContact O-N 2.75Å; Y110-S114 VanDerWaalsContact O-CB 3.3Å; Y110-S114 WeakPolarHBondContact O-CB 3.31Å; Y110-S114 PolarHBondContact O-N 2.97Å; Y110-Y123 VanDerWaalsContact CD1-OH 3.28Å; Y110-Y123 WeakPolarHBondContact CD1-OH 3.3Å; Y110-Y123 HydrophobicContact CE1-CE1 4.47Å; Y110-Y123 WeakPolarHBondContact CE1-OH 3.1Å
111V85.9Confident81.7Confident20 Ų2049.8 Ų49.812%0.12127%0.271CS..Hα-helixtrans-62.7-32.6177.8175.20000111.5L107 D109 M121 Y123L107-V111 WeakPolarHBondContact O-CG2 3.37Å; L107-V111 PolarHBondContact O-N 3.08Å; D109-V111 PolarHBondContact O-N 3.13Å; V111-M121 HydrophobicContact CG1-CE 4.19Å; V111-M121 WeakPolarHBondContact O-CE 3.31Å; V111-Y123 HydrophobicContact CG2-CD2 3.96Å; V111-Y123 HydrophobicContact CG2-CE2 3.47Å; V111-Y123 VanDerWaalsContact CG2-CE2 3.47Å
112K80.4Confident81.5Confident129 Ų12949.5 Ų49.556%0.56127%0.266SS*.Hα-helixtrans-77.6-35.8176.5-72.3173.6-176.41710114S108 D109 Y110S108-K112 WeakPolarHBondContact O-CG 3.29Å; S108-K112 PolarHBondContact O-N 3.46Å; D109-K112 PolarHBondContact O-N 2.95Å; D109-K112 VanDerWaalsContact O-N 3.1Å; Y110-K112 PolarHBondContact O-N 3.24Å
113V75.9Confident81.5Confident29 Ų2949.8 Ų49.818%0.17627%0.267CS..Hα-helixtrans-80.3-26.7-178170.80000111.3D109 Y110 N115 P329 S334D109-V113 WeakPolarHBondContact O-CB 3.46Å; D109-V113 VanDerWaalsContact O-CG2 3.25Å; D109-V113 WeakPolarHBondContact O-CG2 3.33Å; D109-V113 PolarHBondContact O-N 3.26Å; Y110-V113 PolarHBondContact O-N 2.75Å; V113-N115 PolarHBondContact O-N 2.89Å; V113-P329 HydrophobicContact CG1-CB 4.49Å; V113-P329 HydrophobicContact CG1-CG 4.02Å; V113-S334 WeakPolarHBondContact CG1-OG 3.3Å; V113-S334 PolarHBondContact O-OG 2.8Å
114S73Confident81.4Confident20 Ų2052.7 Ų52.714%0.1429%0.286CS..  trans-62108.9174.1-173.60000109.9Y110 I116Y110-S114 VanDerWaalsContact O-CB 3.3Å; Y110-S114 WeakPolarHBondContact O-CB 3.31Å; Y110-S114 PolarHBondContact O-N 2.97Å; S114-I116 PolarHBondContact O-N 3.25Å; S114-I116 WeakPolarHBondContact OG-CD1 3.49Å; S114-I116 WeakPolarHBondContact OG-CG1 3.3Å
115N64.1Low81.2Confident129 Ų12953.5 Ų53.569%0.6929%0.291SS*.  trans-88.826.3-176.2-129.623.4000112V113 M377V113-N115 PolarHBondContact O-N 2.89Å; N115-M377 HydrophobicContact CB-CE 4.46Å; N115-M377 VanDerWaalsContact ND2-CE 3.35Å; N115-M377 WeakPolarHBondContact ND2-CE 3.13Å
116I66.8Low81.4Confident61 Ų6154.4 Ų54.431%0.31330%0.303SS..  trans-87.1145.6-174.1-61178.5000109.1S114 D120S114-I116 PolarHBondContact O-N 3.25Å; S114-I116 WeakPolarHBondContact OG-CD1 3.49Å; S114-I116 WeakPolarHBondContact OG-CG1 3.3Å; I116-D120 HydrophobicContact CG2-CB 3.34Å
117S62.2Low81.8Confident65 Ų6555 Ų5546%0.45531%0.306SS..  trans-50.2144.7171.29.20000111D119 D120 M121S117-D119 PolarHBondContact O-N 3.44Å; S117-D120 PolarHBondContact O-N 2.97Å; S117-D120 PolarHBondContact OG-OD2 3.24Å; S117-M121 PolarHBondContact O-N 3.49Å
118A65.6Low82Confident87 Ų8755 Ų5572%0.71931%0.306SS*.THydrogen-bonded Turntrans-54.7-28.3178.200000113.2
119D67.9Low82.3Confident157 Ų15759.6 Ų59.684%0.8433%0.327SS*.THydrogen-bonded Turntrans-73.5-24.3178.8-65.1-32.9000113.8S117S117-D119 PolarHBondContact O-N 3.44Å
120D78.6Confident83Confident94 Ų9464 Ų6450%0.50335%0.347SS..THydrogen-bonded Turntrans-103.72-177.4-60.4-55.5000112.5I116 S117I116-D120 HydrophobicContact CG2-CB 3.34Å; S117-D120 PolarHBondContact O-N 2.97Å; S117-D120 PolarHBondContact OG-OD2 3.24Å
121M86.3Confident83.5Confident55 Ų5561.2 Ų61.227%0.27134%0.337SS..  trans-73.4127.3174.4-79.8-170.8147.300111.6V111 S117 Y123V111-M121 HydrophobicContact CG1-CE 4.19Å; V111-M121 WeakPolarHBondContact O-CE 3.31Å; S117-M121 PolarHBondContact O-N 3.49Å; M121-Y123 VanDerWaalsContact C-N 3.29Å; M121-Y123 PolarHBondContact O-N 2.95Å
122L90.9Very high84.1Confident17 Ų1761.8 Ų61.89%0.08934%0.339CS..SBendtrans-57.2-42.5176.4-65.4172.3000112.1I43 M50 L53 K86I43-L122 HydrophobicContact CG2-CD1 3.94Å; M50-L122 HydrophobicContact SD-CD2 3.7Å; L53-L122 HydrophobicContact CD1-CD2 3.94Å; L53-L122 HydrophobicContact CD2-CD1 3.96Å; L53-L122 HydrophobicContact CD2-CD2 4.14Å; L53-L122 HydrophobicContact CG-CD1 4.44Å; L53-L122 HydrophobicContact CG-CD2 3.98Å; K86-L122 PolarHBondContact NZ-O 3.48Å
123Y94Very high84.9Confident5 Ų562.9 Ų62.92%0.0235%0.35CS..  trans-158.5164.6-176.958.7-93.5000111.6G78 P81 W82 Y110 V111 M121G78-Y123 WeakPolarHBondContact O-CE1 3.44Å; G78-Y123 PolarHBondContact O-OH 3.24Å; G78-Y123 VanDerWaalsContact O-OH 3.04Å; P81-Y123 HydrophobicContact CB-CD1 4.06Å; P81-Y123 HydrophobicContact CB-CD2 3.64Å; P81-Y123 HydrophobicContact CB-CE1 4.33Å; P81-Y123 HydrophobicContact CB-CE2 3.94Å; P81-Y123 HydrophobicContact CB-CG 3.72Å; P81-Y123 HydrophobicContact CG-CD1 4.35Å; P81-Y123 HydrophobicContact CG-CD2 3.89Å; P81-Y123 HydrophobicContact CG-CE1 4.11Å; P81-Y123 HydrophobicContact CG-CE2 3.62Å; P81-Y123 HydrophobicContact CG-CG 4.25Å; W82-Y123 HydrophobicContact CB-CD1 3.97Å; Y110-Y123 VanDerWaalsContact CD1-OH 3.28Å; Y110-Y123 WeakPolarHBondContact CD1-OH 3.3Å; Y110-Y123 HydrophobicContact CE1-CE1 4.47Å; Y110-Y123 WeakPolarHBondContact CE1-OH 3.1Å; V111-Y123 HydrophobicContact CG2-CD2 3.96Å; V111-Y123 HydrophobicContact CG2-CE2 3.47Å; V111-Y123 VanDerWaalsContact CG2-CE2 3.47Å; M121-Y123 VanDerWaalsContact C-N 3.29Å; M121-Y123 PolarHBondContact O-N 2.95Å
124T92.7Very high86Confident62 Ų6266.1 Ų66.138%0.3836%0.362SS..  trans-104169.3-179.465.20000111.9T126 D127 L128T124-T126 PolarHBondContact O-N 3.35Å; T124-T126 PolarHBondContact OG1-N 3.41Å; T124-D127 PolarHBondContact N-OD2 2.88Å; T124-D127 PolarHBondContact O-N 3.28Å; T124-D127 VanDerWaalsContact OG1-CG 3.31Å; T124-D127 PolarHBondContact OG1-N 3.5Å; T124-D127 PolarHBondContact OG1-OD2 3.46Å; T124-L128 PolarHBondContact O-N 3.45Å; T124-L128 VanDerWaalsContact O-N 3.15Å
125E91.6Very high87.2Confident49 Ų4965.3 Ų65.323%0.22936%0.356CS..Hα-helixtrans-58.8-33.9171.3-176.476.4-169.700111.9R104 S108 L128 E129R104-E125 IonicContact CZ-OE1 2.72Å; R104-E125 IonicContact NH1-OE1 3.36Å; R104-E125 PolarHBondContact NH1-OE1 3.05Å; R104-E125 IonicContact NH2-OE1 3.61Å; R104-E125 PolarHBondContact NH2-OE1 2.88Å; S108-E125 VanDerWaalsContact CA-OE2 3.24Å; S108-E125 WeakPolarHBondContact CA-OE2 3.35Å; S108-E125 WeakPolarHBondContact CB-OE1 3.47Å; S108-E125 WeakPolarHBondContact CB-OE2 3.18Å; S108-E125 PolarHBondContact OG-OE1 3.45Å; S108-E125 PolarHBondContact OG-OE2 3.45Å; E125-L128 WeakPolarHBondContact O-CB 3.45Å; E125-L128 PolarHBondContact O-N 3.28Å; E125-E129 PolarHBondContact O-N 2.73Å
126T94.3Very high88.8Confident80 Ų8062.5 Ų62.549%0.49134%0.339SS..Hα-helixtrans-65.3-45.5176.4-50.50000111.2T124 L128 E129 E130T124-T126 PolarHBondContact O-N 3.35Å; T124-T126 PolarHBondContact OG1-N 3.41Å; T126-L128 PolarHBondContact O-N 2.92Å; T126-E129 PolarHBondContact O-N 3.41Å; T126-E129 VanDerWaalsContact O-N 3.14Å; T126-E130 WeakPolarHBondContact O-CG 3.25Å; T126-E130 PolarHBondContact O-N 2.92Å
127D96.7Very high90.4Very high24 Ų2461.9 Ų61.913%0.12834%0.338CS..Hα-helixtrans-58.4-39175.8-62.4-53.9000111Q85 K86 T124 S131Q85-D127 HydrophobicContact CG-CB 4.38Å; Q85-D127 WeakPolarHBondContact CG-O 2.95Å; K86-D127 VanDerWaalsContact CE-OD2 3.25Å; K86-D127 WeakPolarHBondContact CE-OD2 3.48Å; K86-D127 IonicContact NZ-OD2 3.4Å; K86-D127 PolarHBondContact NZ-OD2 2.73Å; T124-D127 PolarHBondContact N-OD2 2.88Å; T124-D127 PolarHBondContact O-N 3.28Å; T124-D127 VanDerWaalsContact OG1-CG 3.31Å; T124-D127 PolarHBondContact OG1-N 3.5Å; T124-D127 PolarHBondContact OG1-OD2 3.46Å; D127-S131 WeakPolarHBondContact O-CB 3.39Å; D127-S131 PolarHBondContact O-N 3.03Å
128L96.6Very high92.1Very high0 Ų058.8 Ų58.80%032%0.316CS..Hα-helixtrans-63.2-47.3175.2171.764.2000111.8P81 Y103 L107 T124 E125 T126 S131 M132P81-L128 HydrophobicContact CG-CD1 3.94Å; Y103-L128 HydrophobicContact CD1-CD1 4.23Å; Y103-L128 HydrophobicContact CE1-CD1 3.49Å; Y103-L128 VanDerWaalsContact CE1-CD1 3.49Å; Y103-L128 HydrophobicContact CE2-CD1 4.46Å; L107-L128 HydrophobicContact CB-CD1 3.81Å; L107-L128 HydrophobicContact CB-CD2 3.68Å; L107-L128 HydrophobicContact CB-CG 4.39Å; L107-L128 HydrophobicContact CD1-CD1 3.9Å; L107-L128 HydrophobicContact CG-CD1 4.35Å; T124-L128 PolarHBondContact O-N 3.45Å; T124-L128 VanDerWaalsContact O-N 3.15Å; E125-L128 WeakPolarHBondContact O-CB 3.45Å; E125-L128 PolarHBondContact O-N 3.28Å; T126-L128 PolarHBondContact O-N 2.92Å; L128-S131 WeakPolarHBondContact O-CB 3.3Å; L128-S131 PolarHBondContact O-N 2.88Å; L128-S131 PolarHBondContact O-OG 3.04Å; L128-M132 PolarHBondContact O-N 3.42Å
129E95.5Very high93.6Very high98 Ų9858.6 Ų58.646%0.45830%0.303SS..Hα-helixtrans-60.1-47.1177.6-73.2-174.3165.400111.8R104 E125 T126 S131 M132R104-E129 IonicContact CZ-OE1 2.8Å; R104-E129 IonicContact NH2-OE1 3.98Å; R104-E129 PolarHBondContact NH2-OE1 2.79Å; E125-E129 PolarHBondContact O-N 2.73Å; T126-E129 PolarHBondContact O-N 3.41Å; T126-E129 VanDerWaalsContact O-N 3.14Å; E129-S131 VanDerWaalsContact C-N 3.25Å; E129-S131 PolarHBondContact O-N 3.22Å; E129-M132 VanDerWaalsContact O-CB 3.31Å; E129-M132 WeakPolarHBondContact O-CB 3.29Å; E129-M132 PolarHBondContact O-N 3.31Å; E129-M132 VanDerWaalsContact O-N 3.15Å
130E97Very high95.1Very high105 Ų10553.1 Ų53.149%0.49127%0.272SS..Hα-helixtrans-65-28.9177.9-67.7178.3-179.400112.4Q85 T126 M132Q85-E130 PolarHBondContact NE2-O 3.3Å; Q85-E130 VanDerWaalsContact NE2-O 3.09Å; T126-E130 WeakPolarHBondContact O-CG 3.25Å; T126-E130 PolarHBondContact O-N 2.92Å; E130-M132 PolarHBondContact O-N 3.04Å
131S97.9Very high96Very high0 Ų053.2 Ų53.20%027%0.269CS..Hα-helixtrans-65.7-27176.181.60000113Y103 D127 L128 E129 D133 K134 I135Y103-S131 PolarHBondContact OH-OG 3.44Å; D127-S131 WeakPolarHBondContact O-CB 3.39Å; D127-S131 PolarHBondContact O-N 3.03Å; L128-S131 WeakPolarHBondContact O-CB 3.3Å; L128-S131 PolarHBondContact O-N 2.88Å; L128-S131 PolarHBondContact O-OG 3.04Å; E129-S131 VanDerWaalsContact C-N 3.25Å; E129-S131 PolarHBondContact O-N 3.22Å; S131-D133 VanDerWaalsContact C-N 3.27Å; S131-D133 PolarHBondContact O-N 3.03Å; S131-K134 PolarHBondContact O-N 3.04Å; S131-K134 VanDerWaalsContact O-N 3.11Å; S131-I135 WeakPolarHBondContact O-CG1 3.17Å
132M98.1Very high96.5Very high32 Ų3253.5 Ų53.516%0.15827%0.27CS..G310 helixtrans-62.6-33.1-175.7-67.7-66.5-70.500113K100 Y103 R104 L128 E129 E130 K134 I135K100-M132 HydrophobicContact CD-CE 4.42Å; K100-M132 WeakPolarHBondContact CE-O 3.37Å; K100-M132 HydrophobicContact CG-CE 3.77Å; K100-M132 HydrophobicContact CG-SD 4.49Å; K100-M132 PolarHBondContact NZ-O 3.26Å; Y103-M132 HydrophobicContact CD1-SD 3.53Å; Y103-M132 VanDerWaalsContact CD1-SD 3.53Å; Y103-M132 HydrophobicContact CE1-SD 3.6Å; R104-M132 HydrophobicContact CB-CE 3.77Å; R104-M132 HydrophobicContact CB-SD 3.9Å; R104-M132 HydrophobicContact CG-CE 4.37Å; L128-M132 PolarHBondContact O-N 3.42Å; E129-M132 VanDerWaalsContact O-CB 3.31Å; E129-M132 WeakPolarHBondContact O-CB 3.29Å; E129-M132 PolarHBondContact O-N 3.31Å; E129-M132 VanDerWaalsContact O-N 3.15Å; E130-M132 PolarHBondContact O-N 3.04Å; M132-K134 VanDerWaalsContact C-N 3.29Å; M132-K134 PolarHBondContact O-N 3.37Å; M132-I135 PolarHBondContact O-N 3.07Å
133D97.3Very high96.9Very high151 Ų15156.7 Ų56.781%0.80729%0.29SS*.G310 helixtrans-74.1-22.5-179.5-69.5-19.5000112.4S131S131-D133 VanDerWaalsContact C-N 3.27Å; S131-D133 PolarHBondContact O-N 3.03Å
134K98.3Very high97.1Very high97 Ų9759.7 Ų59.742%0.42230%0.303SS..G310 helixtrans-84.7-9.3177.1-66.1178.5174.9171.10113.5L84 S131 M132L84-K134 HydrophobicContact CB-CD 4.26Å; L84-K134 HydrophobicContact CD1-CB 4.33Å; L84-K134 PolarHBondContact O-NZ 2.88Å; S131-K134 PolarHBondContact O-N 3.04Å; S131-K134 VanDerWaalsContact O-N 3.11Å; M132-K134 VanDerWaalsContact C-N 3.29Å; M132-K134 PolarHBondContact O-N 3.37Å
135I98.8Very high97.3Very high3 Ų361 Ų612%0.01531%0.305CS..EExtended strand (participates in β ladder)trans-98.9116.3-176.9-60.7165000109.5L80 L84 T93 M95 K100 Y103 S131 M132L80-I135 HydrophobicContact CD2-CD1 3.86Å; L80-I135 HydrophobicContact CD2-CG1 4.4Å; L84-I135 HydrophobicContact CD1-CD1 4.17Å; L84-I135 HydrophobicContact CD1-CG1 3.8Å; T93-I135 HydrophobicContact CG2-CG1 4.17Å; T93-I135 HydrophobicContact CG2-CG2 4.46Å; M95-I135 HydrophobicContact CB-CG2 4.05Å; M95-I135 HydrophobicContact CE-CD1 4.33Å; M95-I135 HydrophobicContact CG-CG2 3.94Å; M95-I135 HydrophobicContact SD-CD1 4.35Å; M95-I135 HydrophobicContact SD-CG2 3.76Å; K100-I135 HydrophobicContact CD-CB 4.29Å; K100-I135 HydrophobicContact CD-CG2 3.94Å; K100-I135 WeakPolarHBondContact CE-O 3.41Å; K100-I135 HydrophobicContact CG-CG2 4.17Å; K100-I135 PolarHBondContact NZ-O 3.03Å; Y103-I135 HydrophobicContact CD1-CD1 4.22Å; Y103-I135 HydrophobicContact CE1-CD1 3.63Å; S131-I135 WeakPolarHBondContact O-CG1 3.17Å; M132-I135 PolarHBondContact O-N 3.07Å
136E98.8Very high97.5Very high70 Ų7059.2 Ų59.233%0.32730%0.297SS..EExtended strand (participates in β ladder)trans-85.8157.4172-65.4-179.2-114.900111.5R92 T93 F94 M95R92-E136 IonicContact CZ-OE1 3.47Å; R92-E136 IonicContact CZ-OE2 3.76Å; R92-E136 IonicContact NE-OE1 3.32Å; R92-E136 PolarHBondContact NE-OE1 3.39Å; R92-E136 IonicContact NE-OE2 3.78Å; R92-E136 VanDerWaalsContact NH2-CD 3.33Å; R92-E136 IonicContact NH2-OE1 2.73Å; R92-E136 PolarHBondContact NH2-OE1 2.95Å; R92-E136 VanDerWaalsContact NH2-OE1 3.16Å; R92-E136 IonicContact NH2-OE2 3.18Å; R92-E136 PolarHBondContact NH2-OE2 2.82Å; T93-E136 WeakPolarHBondContact O-CB 3.28Å; T93-E136 PolarHBondContact O-N 3.36Å; F94-E136 WeakPolarHBondContact CA-O 3.34Å; F94-E136 HydrophobicContact CD1-CB 3.74Å; F94-E136 HydrophobicContact CE1-CB 3.56Å; F94-E136 HydrophobicContact CE1-CG 4.44Å; F94-E136 HydrophobicContact CG-CB 4.34Å; F94-E136 HydrophobicContact CZ-CB 4.01Å; F94-E136 HydrophobicContact CZ-CG 4.48Å; M95-E136 PolarHBondContact N-O 3.39Å
137T98.5Very high97.4Very high48 Ų4857.2 Ų57.229%0.29429%0.289SS..EExtended strand (participates in β ladder)trans-111.1141.5178.652.50000112.4M95 H97 K100M95-T137 CarbonylContact O-C 3.56Å; M95-T137 VanDerWaalsContact O-CA 3.24Å; M95-T137 WeakPolarHBondContact O-CA 3.28Å; H97-T137 VanDerWaalsContact CE1-CB 3.46Å; H97-T137 WeakPolarHBondContact CE1-CB 3.47Å; H97-T137 PolarHBondContact CE1-OG1 2.79Å; K100-T137 HydrophobicContact CB-CG2 4.16Å; K100-T137 HydrophobicContact CD-CG2 3.61Å; K100-T137 HydrophobicContact CG-CG2 4.5Å
138I98.5Very high97.1Very high0 Ų056.4 Ų56.40%029%0.286CS..EExtended strand (participates in β ladder)trans-122.5141.7174.2-170.2169.8000110.7F94 M95 E142 K144 F151 F165F94-I138 HydrophobicContact CD1-CB 4.26Å; M95-I138 PolarHBondContact O-N 3.2Å; I138-E142 HydrophobicContact CG1-CB 4.41Å; I138-K144 HydrophobicContact CD1-CB 4.06Å; I138-K144 HydrophobicContact CD1-CG 3.58Å; I138-K144 HydrophobicContact CG1-CG 3.94Å; I138-F151 HydrophobicContact CD1-CD2 3.81Å; I138-F151 HydrophobicContact CD1-CE2 3.63Å; I138-F165 HydrophobicContact CG2-CE1 4.16Å; I138-F165 HydrophobicContact CG2-CZ 4.4Å
139N97.9Very high97.1Very high83 Ų8356.4 Ų56.444%0.44429%0.286SS..  trans-83.7152.8170.6-65.9-71.5000111H97 H141 E142H97-N139 PolarHBondContact CD2-OD1 3.27Å; H97-N139 PolarHBondContact NE2-OD1 2.79Å; H97-N139 VanDerWaalsContact NE2-OD1 3.13Å; N139-H141 PolarHBondContact O-N 3.27Å; N139-E142 HydrophobicContact CB-CB 4.14Å; N139-E142 PolarHBondContact N-OE2 2.89Å; N139-E142 PolarHBondContact ND2-OE2 2.8Å; N139-E142 WeakPolarHBondContact O-CB 3.39Å; N139-E142 PolarHBondContact O-N 3.07Å
140F98Very high97.3Very high42 Ų4255.3 Ų55.318%0.18428%0.28CS..THydrogen-bonded Turntrans-56.2139.1170-66.1-78.5000110.5T96 E142 H155 A163T96-F140 HydrophobicContact CG2-CE1 4.04Å; T96-F140 HydrophobicContact CG2-CE2 4.29Å; T96-F140 HydrophobicContact CG2-CZ 3.79Å; F140-E142 PolarHBondContact O-N 3.47Å; F140-H155 AromaticContact CD1-CE1 3.73Å; F140-H155 AromaticContact CD1-CG 3.99Å; F140-H155 AromaticContact CD1-ND1 3.58Å; F140-H155 AromaticContact CD2-CE1 3.18Å; F140-H155 WeakPolarHBondContact CD2-CE1 3.49Å; F140-H155 AromaticContact CD2-ND1 3.74Å; F140-H155 AromaticContact CD2-NE2 3.91Å; F140-H155 AromaticContact CE1-CE1 3.88Å; F140-H155 AromaticContact CE1-ND1 3.4Å; F140-H155 WeakPolarHBondContact CE1-ND1 3.26Å; F140-H155 AromaticContact CE2-CE1 3.36Å; F140-H155 WeakPolarHBondContact CE2-CE1 3.45Å; F140-H155 AromaticContact CE2-ND1 3.56Å; F140-H155 AromaticContact CG-CE1 3.37Å; F140-H155 WeakPolarHBondContact CG-CE1 3.46Å; F140-H155 AromaticContact CG-ND1 3.74Å; F140-H155 AromaticContact CG-NE2 3.76Å; F140-H155 AromaticContact CZ-CE1 3.7Å; F140-H155 AromaticContact CZ-ND1 3.38Å; F140-H155 WeakPolarHBondContact CZ-ND1 3.42Å; F140-A163 HydrophobicContact CE1-CB 4.18Å
141H97.9Very high97.3Very high96 Ų9650.3 Ų50.344%0.44426%0.257SS..THydrogen-bonded Turntrans62.16.3-180-41.5128.1000116.2N139 C153 Y154 E192N139-H141 PolarHBondContact O-N 3.27Å; H141-C153 PolarHBondContact N-O 3.07Å; H141-Y154 AromaticContact CD2-CD1 3.67Å; H141-Y154 AromaticContact NE2-CD1 3.82Å; H141-E192 IonicContact CD2-OE2 3.59Å; H141-E192 IonicContact CE1-OE1 3.33Å; H141-E192 PolarHBondContact CE1-OE1 3.15Å; H141-E192 IonicContact CE1-OE2 3.86Å; H141-E192 VanDerWaalsContact NE2-CD 3.31Å; H141-E192 IonicContact NE2-OE1 3.27Å; H141-E192 PolarHBondContact NE2-OE1 3.45Å; H141-E192 VanDerWaalsContact NE2-OE1 3.11Å; H141-E192 IonicContact NE2-OE2 2.68Å; H141-E192 PolarHBondContact NE2-OE2 2.94Å
142E97.8Very high97.4Very high61 Ų6151.2 Ų51.229%0.28526%0.26SS..  trans-82130.6171.7-174.9-174.6169.100110.2I138 N139 F140 K144 W152I138-E142 HydrophobicContact CG1-CB 4.41Å; N139-E142 HydrophobicContact CB-CB 4.14Å; N139-E142 PolarHBondContact N-OE2 2.89Å; N139-E142 PolarHBondContact ND2-OE2 2.8Å; N139-E142 WeakPolarHBondContact O-CB 3.39Å; N139-E142 PolarHBondContact O-N 3.07Å; F140-E142 PolarHBondContact O-N 3.47Å; E142-K144 WeakPolarHBondContact OE1-CE 3.44Å; E142-K144 IonicContact OE1-NZ 3.75Å; E142-K144 PolarHBondContact OE1-NZ 2.91Å; E142-W152 WeakPolarHBondContact O-CA 3.45Å; E142-W152 WeakPolarHBondContact O-CB 3.44Å
143V98.4Very high97.4Very high85 Ų8549.7 Ų49.752%0.51525%0.253SS..  trans-87.6121.6173.6-177.40000109.8K150 W152V143-K150 HydrophobicContact CG1-CB 4.36Å; V143-W152 HydrophobicContact CG1-CE3 4.32Å; V143-W152 HydrophobicContact CG2-CB 4.3Å; V143-W152 HydrophobicContact CG2-CD2 4.39Å; V143-W152 HydrophobicContact CG2-CE3 4.09Å
144K98.2Very high97.5Very high68 Ų6843.6 Ų43.630%0.29622%0.218SC..EExtended strand (participates in β ladder)trans-108.8154.7169.3-70.4-64.4-163.4-161.20110.3F94 I138 E142 K150 F151F94-K144 HydrophobicContact CE1-CG 4.48Å; I138-K144 HydrophobicContact CD1-CB 4.06Å; I138-K144 HydrophobicContact CD1-CG 3.58Å; I138-K144 HydrophobicContact CG1-CG 3.94Å; E142-K144 WeakPolarHBondContact OE1-CE 3.44Å; E142-K144 IonicContact OE1-NZ 3.75Å; E142-K144 PolarHBondContact OE1-NZ 2.91Å; K144-K150 WeakPolarHBondContact O-CA 3.29Å; K144-F151 HydrophobicContact CB-CD1 4.41Å; K144-F151 HydrophobicContact CB-CD2 4.4Å; K144-F151 HydrophobicContact CB-CE1 3.8Å; K144-F151 HydrophobicContact CB-CE2 3.81Å; K144-F151 HydrophobicContact CB-CZ 3.47Å; K144-F151 VanDerWaalsContact CB-CZ 3.47Å; K144-F151 HydrophobicContact CG-CE2 4.41Å; K144-F151 HydrophobicContact CG-CZ 4.32Å; K144-F151 PolarHBondContact N-O 3.34Å; K144-F151 PolarHBondContact O-N 3.3Å
145E97.1Very high97.5Very high90 Ų9040.3 Ų40.342%0.42121%0.205SC..EExtended strand (participates in β ladder)trans-129.5128.2174.1-169.4177.7146.500110.7I149 K150 N489E145-I149 VanDerWaalsContact CA-O 3.26Å; E145-I149 WeakPolarHBondContact CA-O 3.29Å; E145-K150 HydrophobicContact CB-CG 4.41Å; E145-K150 HydrophobicContact CG-CG 4.17Å; E145-N489 PolarHBondContact OE1-ND2 2.9Å; E145-N489 VanDerWaalsContact OE1-ND2 3.16Å
146V95.9Very high97.4Very high11 Ų1140.2 Ų40.27%0.06720%0.204CC..EExtended strand (participates in β ladder)trans-133.6126.5173.4177.60000108.8L66 R92 F94 G148 I149 F151L66-V146 HydrophobicContact CD1-CB 3.99Å; L66-V146 HydrophobicContact CD1-CG1 4.2Å; L66-V146 HydrophobicContact CD1-CG2 3.99Å; R92-V146 VanDerWaalsContact NH1-CG2 3.25Å; F94-V146 HydrophobicContact CE2-CG2 3.86Å; F94-V146 HydrophobicContact CZ-CG2 4.06Å; V146-G148 PolarHBondContact O-N 3.25Å; V146-I149 PolarHBondContact N-O 3.22Å; V146-I149 WeakPolarHBondContact O-CA 3.32Å; V146-I149 VanDerWaalsContact O-CB 3.24Å; V146-I149 WeakPolarHBondContact O-CB 3.48Å; V146-I149 PolarHBondContact O-N 3.09Å; V146-F151 HydrophobicContact CB-CE1 4.33Å; V146-F151 HydrophobicContact CG2-CE1 3.92Å; V146-F151 HydrophobicContact CG2-CZ 4.27Å
147A92.5Very high97.3Very high37 Ų3737.2 Ų37.231%0.30619%0.192SC..THydrogen-bonded Turntrans51.929.4178.800000114.7R35 D65 I149R35-A147 PolarHBondContact NE-O 2.83Å; D65-A147 HydrophobicContact CB-CB 4.44Å; A147-I149 VanDerWaalsContact C-N 3.32Å
148G90.4Very high97.1Very high8 Ų835 Ų358%0.08218%0.179CC..THydrogen-bonded Turntrans82.42.9-176.500000115.4V146 N489 F490V146-G148 PolarHBondContact O-N 3.25Å; G148-N489 WeakPolarHBondContact CA-ND2 3.48Å; G148-F490 WeakPolarHBondContact O-CD2 3.19Å
149I96.8Very high97Very high0 Ų035 Ų350%018%0.179CC..EExtended strand (participates in β ladder)trans-89.2119.2171.4-55.5152.2000107.5R35 I37 D65 L66 E145 V146 A147 F151 I167 I169R35-I149 HydrophobicContact CB-CD1 4.12Å; R35-I149 HydrophobicContact CB-CG1 4.26Å; R35-I149 HydrophobicContact CG-CD1 4.36Å; R35-I149 HydrophobicContact CG-CG1 4.22Å; I37-I149 HydrophobicContact CD1-CB 4.41Å; I37-I149 HydrophobicContact CD1-CD1 3.77Å; I37-I149 HydrophobicContact CD1-CG1 4.05Å; I37-I149 HydrophobicContact CD1-CG2 3.54Å; I37-I149 HydrophobicContact CG1-CD1 3.76Å; D65-I149 HydrophobicContact CB-CD1 4.3Å; L66-I149 HydrophobicContact CB-CD1 4.26Å; L66-I149 HydrophobicContact CD2-CD1 4.38Å; L66-I149 HydrophobicContact CD2-CG2 4.01Å; E145-I149 VanDerWaalsContact CA-O 3.26Å; E145-I149 WeakPolarHBondContact CA-O 3.29Å; V146-I149 PolarHBondContact N-O 3.22Å; V146-I149 WeakPolarHBondContact O-CA 3.32Å; V146-I149 VanDerWaalsContact O-CB 3.24Å; V146-I149 WeakPolarHBondContact O-CB 3.48Å; V146-I149 PolarHBondContact O-N 3.09Å; A147-I149 VanDerWaalsContact C-N 3.32Å; I149-F151 HydrophobicContact CG2-CD1 4.47Å; I149-I167 HydrophobicContact CG2-CG2 3.75Å; I149-I169 HydrophobicContact CB-CG1 4.42Å; I149-I169 HydrophobicContact CG1-CD1 4.22Å; I149-I169 HydrophobicContact CG1-CG1 4.14Å; I149-I169 HydrophobicContact CG2-CD1 4.45Å; I149-I169 HydrophobicContact CG2-CG1 4.05Å
150K98.3Very high96.8Very high75 Ų7531.1 Ų31.133%0.32616%0.158SC..EExtended strand (participates in β ladder)trans-91.3139.9169.1-67.2179.1-176.2175.80109.4V143 K144 E145 W152 I167 E168V143-K150 HydrophobicContact CG1-CB 4.36Å; K144-K150 WeakPolarHBondContact O-CA 3.29Å; E145-K150 HydrophobicContact CB-CG 4.41Å; E145-K150 HydrophobicContact CG-CG 4.17Å; K150-W152 HydrophobicContact CB-CZ3 4.48Å; K150-I167 CarbonylContact O-C 3.26Å; K150-I167 WeakPolarHBondContact O-CA 3.23Å; K150-E168 HydrophobicContact CB-CB 4.27Å; K150-E168 PolarHBondContact N-O 2.86Å; K150-E168 PolarHBondContact O-N 2.88Å
151F98.8Very high96.7Very high0 Ų029.3 Ų29.30%015%0.151CC..EExtended strand (participates in β ladder)trans-150.1153174.461.2-80.1000111.2L66 L68 F94 I138 K144 V146 I149 F165 M166 I167L66-F151 HydrophobicContact CD1-CE1 3.99Å; L66-F151 HydrophobicContact CD1-CZ 4.08Å; L66-F151 HydrophobicContact CD2-CD1 3.7Å; L66-F151 HydrophobicContact CD2-CE1 3.75Å; L66-F151 HydrophobicContact CD2-CG 4.31Å; L66-F151 HydrophobicContact CD2-CZ 4.37Å; L68-F151 HydrophobicContact CD1-CB 4.47Å; L68-F151 HydrophobicContact CD1-CD2 4.46Å; L68-F151 HydrophobicContact CD1-CG 4.49Å; L68-F151 HydrophobicContact CD2-CD2 3.81Å; L68-F151 HydrophobicContact CD2-CE2 3.77Å; L68-F151 HydrophobicContact CD2-CG 4.39Å; L68-F151 HydrophobicContact CD2-CZ 4.34Å; F94-F151 HydrophobicContact CB-CE2 4.25Å; F94-F151 HydrophobicContact CD1-CE2 4.11Å; F94-F151 HydrophobicContact CD1-CZ 4.13Å; F94-F151 HydrophobicContact CD2-CE2 4.04Å; F94-F151 AromaticContact CD2-CZ 3.66Å; F94-F151 HydrophobicContact CD2-CZ 3.66Å; F94-F151 HydrophobicContact CE1-CE2 4.49Å; F94-F151 HydrophobicContact CE1-CZ 4.11Å; F94-F151 HydrophobicContact CE2-CE2 4.44Å; F94-F151 AromaticContact CE2-CZ 3.66Å; F94-F151 HydrophobicContact CE2-CZ 3.66Å; F94-F151 AromaticContact CG-CE2 3.86Å; F94-F151 HydrophobicContact CG-CE2 3.86Å; F94-F151 AromaticContact CG-CZ 3.9Å; F94-F151 HydrophobicContact CG-CZ 3.9Å; F94-F151 AromaticContact CZ-CZ 3.88Å; F94-F151 HydrophobicContact CZ-CZ 3.88Å; I138-F151 HydrophobicContact CD1-CD2 3.81Å; I138-F151 HydrophobicContact CD1-CE2 3.63Å; K144-F151 HydrophobicContact CB-CD1 4.41Å; K144-F151 HydrophobicContact CB-CD2 4.4Å; K144-F151 HydrophobicContact CB-CE1 3.8Å; K144-F151 HydrophobicContact CB-CE2 3.81Å; K144-F151 HydrophobicContact CB-CZ 3.47Å; K144-F151 VanDerWaalsContact CB-CZ 3.47Å; K144-F151 HydrophobicContact CG-CE2 4.41Å; K144-F151 HydrophobicContact CG-CZ 4.32Å; K144-F151 PolarHBondContact N-O 3.34Å; K144-F151 PolarHBondContact O-N 3.3Å; V146-F151 HydrophobicContact CB-CE1 4.33Å; V146-F151 HydrophobicContact CG2-CE1 3.92Å; V146-F151 HydrophobicContact CG2-CZ 4.27Å; I149-F151 HydrophobicContact CG2-CD1 4.47Å; F151-F165 HydrophobicContact CD2-CD1 4.33Å; F151-F165 HydrophobicContact CD2-CE1 4.37Å; F151-M166 WeakPolarHBondContact CA-O 3.44Å; F151-M166 WeakPolarHBondContact CB-O 3.39Å; F151-I167 HydrophobicContact CB-CG1 4.29Å
152W98.8Very high96.7Very high18 Ų1824.9 Ų24.97%0.06813%0.131CC..EExtended strand (participates in β ladder)trans-149.4163.8173.857.695.5000108.5E142 V143 K150 Y154 M166 E168 I196E142-W152 WeakPolarHBondContact O-CA 3.45Å; E142-W152 WeakPolarHBondContact O-CB 3.44Å; V143-W152 HydrophobicContact CG1-CE3 4.32Å; V143-W152 HydrophobicContact CG2-CB 4.3Å; V143-W152 HydrophobicContact CG2-CD2 4.39Å; V143-W152 HydrophobicContact CG2-CE3 4.09Å; K150-W152 HydrophobicContact CB-CZ3 4.48Å; W152-Y154 AromaticContact CD1-CE2 3.55Å; W152-Y154 AromaticContact CD1-CZ 3.64Å; W152-Y154 AromaticContact NE1-CE2 3.25Å; W152-Y154 VanDerWaalsContact NE1-CE2 3.25Å; W152-Y154 AromaticContact NE1-CZ 3.26Å; W152-Y154 VanDerWaalsContact NE1-CZ 3.26Å; W152-Y154 PolarHBondContact NE1-OH 3.01Å; W152-M166 HydrophobicContact CD2-CB 4.05Å; W152-M166 HydrophobicContact CD2-CG 4.22Å; W152-M166 VanDerWaalsContact CE2-CG 3.4Å; W152-M166 HydrophobicContact CG-CB 4.31Å; W152-M166 HydrophobicContact CH2-CG 3.83Å; W152-M166 HydrophobicContact CZ2-CB 3.93Å; W152-M166 HydrophobicContact CZ2-CG 3.2Å; W152-M166 PolarHBondContact N-O 2.82Å; W152-M166 PolarHBondContact O-N 2.88Å; W152-E168 HydrophobicContact CH2-CB 4.28Å; W152-E168 HydrophobicContact CZ3-CB 4.17Å; W152-I196 HydrophobicContact CH2-CD1 4.4Å; W152-I196 HydrophobicContact CZ2-CD1 3.6Å; W152-I196 HydrophobicContact CZ2-CG2 4.45Å
153C98.7Very high96.8Very high0 Ų022 Ų220%012%0.118CC..EExtended strand (participates in β ladder)trans-123.4148.7178.358.20000113.5H141 A163 M164 F165H141-C153 PolarHBondContact N-O 3.07Å; C153-A163 HydrophobicContact CB-CB 3.72Å; C153-M164 CarbonylContact C-O 3.47Å; C153-M164 VanDerWaalsContact CA-O 3.23Å; C153-M164 WeakPolarHBondContact CA-O 3.38Å; C153-F165 HydrophobicContact CB-CD1 3.93Å; C153-F165 HydrophobicContact CB-CE1 3.91Å; C153-F165 HydrophobicContact CB-CG 4.4Å; C153-F165 HydrophobicContact CB-CZ 4.34Å
154Y98.7Very high96.8Very high23 Ų2318 Ų189%0.099%0.094CC..EExtended strand (participates in β ladder)trans-108.2160.3172.5-63.9-79.6000109.9H141 W152 A156 A163 M164 M166 L175 E192 P194H141-Y154 AromaticContact CD2-CD1 3.67Å; H141-Y154 AromaticContact NE2-CD1 3.82Å; W152-Y154 AromaticContact CD1-CE2 3.55Å; W152-Y154 AromaticContact CD1-CZ 3.64Å; W152-Y154 AromaticContact NE1-CE2 3.25Å; W152-Y154 VanDerWaalsContact NE1-CE2 3.25Å; W152-Y154 AromaticContact NE1-CZ 3.26Å; W152-Y154 VanDerWaalsContact NE1-CZ 3.26Å; W152-Y154 PolarHBondContact NE1-OH 3.01Å; Y154-A156 PolarHBondContact O-N 2.82Å; Y154-A163 WeakPolarHBondContact O-CA 3.43Å; Y154-M164 PolarHBondContact N-O 2.79Å; Y154-M164 PolarHBondContact O-N 2.79Å; Y154-M166 HydrophobicContact CD2-CB 4.44Å; Y154-M166 HydrophobicContact CE2-CB 3.88Å; Y154-M166 HydrophobicContact CE2-CE 4.26Å; Y154-L175 HydrophobicContact CD2-CD1 4.44Å; Y154-E192 WeakPolarHBondContact CA-OE2 3.45Å; Y154-E192 VanDerWaalsContact CB-OE2 3.28Å; Y154-E192 WeakPolarHBondContact CB-OE2 3.47Å; Y154-E192 HydrophobicContact CD1-CB 4.46Å; Y154-E192 VanDerWaalsContact CD1-OE2 3.3Å; Y154-E192 WeakPolarHBondContact CD1-OE2 3.45Å; Y154-P194 HydrophobicContact CD1-CG 4.41Å; Y154-P194 HydrophobicContact CD2-CB 4.34Å; Y154-P194 HydrophobicContact CD2-CG 3.69Å; Y154-P194 HydrophobicContact CE1-CB 4.24Å; Y154-P194 HydrophobicContact CE1-CG 4.36Å; Y154-P194 HydrophobicContact CE2-CB 3.76Å; Y154-P194 HydrophobicContact CE2-CG 3.6Å; Y154-P194 HydrophobicContact CG-CG 4.09Å
155H98.1Very high96.8Very high29 Ų2914.8 Ų14.813%0.1348%0.08CC..EExtended strand (participates in β ladder)trans-65.8132.2172.4-68.9-68.7000110.5F140 M189 A191 E192F140-H155 AromaticContact CD1-CE1 3.73Å; F140-H155 AromaticContact CD1-CG 3.99Å; F140-H155 AromaticContact CD1-ND1 3.58Å; F140-H155 AromaticContact CD2-CE1 3.18Å; F140-H155 WeakPolarHBondContact CD2-CE1 3.49Å; F140-H155 AromaticContact CD2-ND1 3.74Å; F140-H155 AromaticContact CD2-NE2 3.91Å; F140-H155 AromaticContact CE1-CE1 3.88Å; F140-H155 AromaticContact CE1-ND1 3.4Å; F140-H155 WeakPolarHBondContact CE1-ND1 3.26Å; F140-H155 AromaticContact CE2-CE1 3.36Å; F140-H155 WeakPolarHBondContact CE2-CE1 3.45Å; F140-H155 AromaticContact CE2-ND1 3.56Å; F140-H155 AromaticContact CG-CE1 3.37Å; F140-H155 WeakPolarHBondContact CG-CE1 3.46Å; F140-H155 AromaticContact CG-ND1 3.74Å; F140-H155 AromaticContact CG-NE2 3.76Å; F140-H155 AromaticContact CZ-CE1 3.7Å; F140-H155 AromaticContact CZ-ND1 3.38Å; F140-H155 WeakPolarHBondContact CZ-ND1 3.42Å; H155-M189 HydrophobicContact CB-CE 4.19Å; H155-M189 VanDerWaalsContact CE1-CE 3.42Å; H155-M189 WeakPolarHBondContact CE1-CE 3.44Å; H155-M189 VanDerWaalsContact CG-CE 3.46Å; H155-M189 WeakPolarHBondContact ND1-CE 3.32Å; H155-A191 CarbonylContact O-C 3.55Å; H155-A191 VanDerWaalsContact O-CA 3.22Å; H155-A191 WeakPolarHBondContact O-CA 3.45Å; H155-E192 HydrophobicContact CB-CG 4.16Å; H155-E192 IonicContact CD2-OE1 2.78Å; H155-E192 PolarHBondContact CD2-OE1 2.84Å; H155-E192 PolarHBondContact N-OE2 3.37Å; H155-E192 PolarHBondContact O-N 2.81Å
156A98Very high96.9Very high0 Ų010.5 Ų10.50%06%0.06CC..  trans-98.6-6.6175.500000113.6Y154 H158 A162 M164 F180 S181 A191Y154-A156 PolarHBondContact O-N 2.82Å; A156-H158 PolarHBondContact O-N 3.39Å; A156-A162 HydrophobicContact CB-CB 3.86Å; A156-A162 PolarHBondContact N-O 3.34Å; A156-A162 VanDerWaalsContact N-O 3.1Å; A156-M164 HydrophobicContact CB-CG 3.67Å; A156-F180 HydrophobicContact CB-CB 4.01Å; A156-F180 CarbonylContact O-C 3.54Å; A156-F180 WeakPolarHBondContact O-CA 3.31Å; A156-F180 WeakPolarHBondContact O-CB 3.32Å; A156-S181 PolarHBondContact O-N 3.34Å; A156-A191 WeakPolarHBondContact O-CB 3.39Å
157G95.6Very high97.1Very high8 Ų810 Ų108%0.0826%0.057CC..  trans63.1-131-166.600000109.6V159 A162 M189G157-V159 PolarHBondContact O-N 2.8Å; G157-A162 WeakPolarHBondContact O-CB 3.42Å; G157-M189 WeakPolarHBondContact CA-O 3.44Å
158H95.3Very high97.3Very high1 Ų111 Ų111%0.0056%0.055CC..SBendtrans59.9-65170.5-177.769.9000115.8H71 H73 A156 D179 S181 R245 S394 A395 H396H71-H158 AromaticContact NE2-CD2 3.93Å; H71-H158 AromaticContact NE2-NE2 3.76Å; H73-H158 AromaticContact CE1-CD2 3.99Å; H73-H158 AromaticContact CE1-CE1 3.83Å; H73-H158 AromaticContact CE1-NE2 3.07Å; H73-H158 PolarHBondContact CE1-NE2 2.87Å; H73-H158 AromaticContact ND1-NE2 3.17Å; H73-H158 PolarHBondContact ND1-NE2 3.27Å; H73-H158 VanDerWaalsContact ND1-NE2 3.17Å; A156-H158 PolarHBondContact O-N 3.39Å; H158-D179 IonicContact NE2-OD2 3.48Å; H158-S181 VanDerWaalsContact CA-OG 3.28Å; H158-S181 WeakPolarHBondContact CA-OG 3.34Å; H158-S181 PolarHBondContact N-OG 2.96Å; H158-R245 PolarHBondContact O-NE 2.79Å; H158-R245 PolarHBondContact O-NH1 2.89Å; H158-R245 PolarHBondContact O-NH2 2.91Å; H158-S394 PolarHBondContact CE1-O 3.08Å; H158-S394 VanDerWaalsContact CE1-O 3.31Å; H158-S394 PolarHBondContact ND1-O 2.97Å; H158-A395 PolarHBondContact ND1-O 2.96Å; H158-H396 AromaticContact CE1-CE1 3.57Å; H158-H396 AromaticContact CE1-NE2 3.74Å
159V95.3Very high97.5Very high1 Ų110.8 Ų10.81%0.0065%0.052CC..SBendtrans-140.8161.7169.7-650000111.9H71 F72 H73 G157 G161 A162 L188H71-V159 HydrophobicContact CB-CG2 3.86Å; F72-V159 HydrophobicContact CD1-CG2 4.01Å; F72-V159 HydrophobicContact CE1-CB 3.68Å; F72-V159 HydrophobicContact CE1-CG2 3.57Å; F72-V159 HydrophobicContact CE2-CB 4.27Å; F72-V159 HydrophobicContact CE2-CG1 4.38Å; F72-V159 HydrophobicContact CE2-CG2 4.27Å; F72-V159 HydrophobicContact CZ-CB 3.51Å; F72-V159 HydrophobicContact CZ-CG1 3.99Å; F72-V159 HydrophobicContact CZ-CG2 3.74Å; H73-V159 VanDerWaalsContact CE1-CG1 3.42Å; H73-V159 WeakPolarHBondContact CE1-CG1 3.3Å; H73-V159 WeakPolarHBondContact NE2-CG1 3.42Å; G157-V159 PolarHBondContact O-N 2.8Å; V159-G161 PolarHBondContact O-N 2.79Å; V159-G161 VanDerWaalsContact O-N 3.09Å; V159-A162 HydrophobicContact CG2-CB 3.9Å; V159-A162 WeakPolarHBondContact O-CB 3.44Å; V159-A162 PolarHBondContact O-N 2.8Å; V159-L188 VanDerWaalsContact CA-CD1 3.49Å
160L94.9Very high97.1Very high0 Ų012.8 Ų12.80%07%0.069CC..THydrogen-bonded Turntrans-58.6116.1-178.1-172.266.8000112.1F72 A98 I102 L188 Y282 A288 M289F72-L160 WeakPolarHBondContact CE1-O 3.4Å; A98-L160 HydrophobicContact CB-CG 4.29Å; I102-L160 HydrophobicContact CD1-CB 4.2Å; I102-L160 HydrophobicContact CD1-CD2 4.24Å; I102-L160 HydrophobicContact CD1-CG 4.49Å; L160-L188 HydrophobicContact CB-CD2 4.22Å; L160-L188 HydrophobicContact CD1-CD2 3.95Å; L160-Y282 HydrophobicContact CB-CE1 3.89Å; L160-Y282 HydrophobicContact CB-CE2 4.45Å; L160-Y282 HydrophobicContact CD2-CD1 3.7Å; L160-Y282 HydrophobicContact CD2-CD2 4.05Å; L160-Y282 HydrophobicContact CD2-CE1 3.8Å; L160-Y282 HydrophobicContact CD2-CE2 4.15Å; L160-Y282 HydrophobicContact CD2-CG 3.82Å; L160-Y282 HydrophobicContact CG-CE1 4.42Å; L160-A288 HydrophobicContact CD1-CB 4.04Å; L160-M289 HydrophobicContact CD1-CE 4.07Å; L160-M289 HydrophobicContact CD1-CG 3.78Å; L160-M289 HydrophobicContact CD2-CE 3.96Å
161G95.9Very high96.7Very high5 Ų511.1 Ų11.15%0.0527%0.072CC..THydrogen-bonded Turntrans90.5-0.2-179.700000115.4T96 T99 V159T96-G161 WeakPolarHBondContact CB-O 3.4Å; T96-G161 VanDerWaalsContact CG2-O 3.26Å; T96-G161 WeakPolarHBondContact CG2-O 3.46Å; T96-G161 PolarHBondContact OG1-O 2.82Å; T99-G161 PolarHBondContact OG1-O 3.38Å; T99-G161 VanDerWaalsContact OG1-O 3.05Å; V159-G161 PolarHBondContact O-N 2.79Å; V159-G161 VanDerWaalsContact O-N 3.09Å
162A98.1Very high96.5Very high3 Ų311.8 Ų11.83%0.0258%0.077CC..  trans-61.8139.5176.700000111.9S70 H71 A156 G157 V159S70-A162 WeakPolarHBondContact O-CA 3.36Å; H71-A162 HydrophobicContact CB-CB 3.66Å; A156-A162 HydrophobicContact CB-CB 3.86Å; A156-A162 PolarHBondContact N-O 3.34Å; A156-A162 VanDerWaalsContact N-O 3.1Å; G157-A162 WeakPolarHBondContact O-CB 3.42Å; V159-A162 HydrophobicContact CG2-CB 3.9Å; V159-A162 WeakPolarHBondContact O-CB 3.44Å; V159-A162 PolarHBondContact O-N 2.8Å
163A98.6Very high96.5Very high1 Ų113 Ų131%0.0088%0.082CC..EExtended strand (participates in β ladder)trans-130.8134.3-17000000112.3S70 T96 F140 C153 Y154 F165S70-A163 PolarHBondContact O-N 2.8Å; T96-A163 HydrophobicContact CG2-CB 3.64Å; F140-A163 HydrophobicContact CE1-CB 4.18Å; C153-A163 HydrophobicContact CB-CB 3.72Å; Y154-A163 WeakPolarHBondContact O-CA 3.43Å; A163-F165 HydrophobicContact CB-CD2 4.32Å; A163-F165 HydrophobicContact CB-CE2 3.87Å; A163-F165 HydrophobicContact CB-CZ 4.26Å
164M98.9Very high96.5Very high0 Ų013.2 Ų13.20%08%0.083CC..EExtended strand (participates in β ladder)trans-93.3118.7163-50.9-168.8-70.500108.6C153 Y154 A156 L175 Y176 T177 F180 A191 E192 F405C153-M164 CarbonylContact C-O 3.47Å; C153-M164 VanDerWaalsContact CA-O 3.23Å; C153-M164 WeakPolarHBondContact CA-O 3.38Å; Y154-M164 PolarHBondContact N-O 2.79Å; Y154-M164 PolarHBondContact O-N 2.79Å; A156-M164 HydrophobicContact CB-CG 3.67Å; M164-L175 HydrophobicContact CB-CD1 4.03Å; M164-Y176 CarbonylContact C-O 3.57Å; M164-Y176 VanDerWaalsContact CA-O 3.25Å; M164-Y176 WeakPolarHBondContact CA-O 3.38Å; M164-T177 WeakPolarHBondContact CG-O 3.43Å; M164-T177 HydrophobicContact SD-CG2 4.05Å; M164-F180 HydrophobicContact SD-CB 4.32Å; M164-F180 HydrophobicContact SD-CD2 4.24Å; M164-F180 HydrophobicContact SD-CG 4.42Å; M164-A191 HydrophobicContact CE-CB 4.23Å; M164-A191 HydrophobicContact SD-CB 4.39Å; M164-E192 WeakPolarHBondContact CE-O 3.46Å; M164-F405 HydrophobicContact CE-CE2 4.26Å; M164-F405 HydrophobicContact CE-CZ 4.07Å; M164-F405 HydrophobicContact SD-CE2 4.43Å; M164-F405 HydrophobicContact SD-CZ 3.92Å
165F98.9Very high96.5Very high0 Ų012.1 Ų12.10%08%0.079CC..EExtended strand (participates in β ladder)trans-90.7121.5-177.8-78.3-83.1000111.2L68 I69 I138 F151 C153 A163 Y176L68-F165 HydrophobicContact CB-CD1 4.34Å; L68-F165 HydrophobicContact CB-CD2 4.12Å; L68-F165 HydrophobicContact CB-CE1 4.43Å; L68-F165 HydrophobicContact CB-CE2 4.22Å; L68-F165 HydrophobicContact CB-CG 4.17Å; L68-F165 HydrophobicContact CB-CZ 4.36Å; L68-F165 HydrophobicContact CD1-CB 4.06Å; L68-F165 HydrophobicContact CD1-CD1 3.87Å; L68-F165 HydrophobicContact CD1-CG 3.98Å; L68-F165 HydrophobicContact CD2-CD1 4.19Å; L68-F165 HydrophobicContact CD2-CE1 4.02Å; L68-F165 HydrophobicContact CG-CD1 4.36Å; I69-F165 WeakPolarHBondContact O-CE2 3.43Å; I138-F165 HydrophobicContact CG2-CE1 4.16Å; I138-F165 HydrophobicContact CG2-CZ 4.4Å; F151-F165 HydrophobicContact CD2-CD1 4.33Å; F151-F165 HydrophobicContact CD2-CE1 4.37Å; C153-F165 HydrophobicContact CB-CD1 3.93Å; C153-F165 HydrophobicContact CB-CE1 3.91Å; C153-F165 HydrophobicContact CB-CG 4.4Å; C153-F165 HydrophobicContact CB-CZ 4.34Å; A163-F165 HydrophobicContact CB-CD2 4.32Å; A163-F165 HydrophobicContact CB-CE2 3.87Å; A163-F165 HydrophobicContact CB-CZ 4.26Å; F165-Y176 PolarHBondContact N-O 3Å; F165-Y176 PolarHBondContact O-N 3.28Å
166M98.9Very high96.6Very high0 Ų010.8 Ų10.80%07%0.073CC..EExtended strand (participates in β ladder)trans-94.7130.1166.4-174.969.778.300108.8F151 W152 Y154 K173 L174 L175 P194 I196 P198F151-M166 WeakPolarHBondContact CA-O 3.44Å; F151-M166 WeakPolarHBondContact CB-O 3.39Å; W152-M166 HydrophobicContact CD2-CB 4.05Å; W152-M166 HydrophobicContact CD2-CG 4.22Å; W152-M166 VanDerWaalsContact CE2-CG 3.4Å; W152-M166 HydrophobicContact CG-CB 4.31Å; W152-M166 HydrophobicContact CH2-CG 3.83Å; W152-M166 HydrophobicContact CZ2-CB 3.93Å; W152-M166 HydrophobicContact CZ2-CG 3.2Å; W152-M166 PolarHBondContact N-O 2.82Å; W152-M166 PolarHBondContact O-N 2.88Å; Y154-M166 HydrophobicContact CD2-CB 4.44Å; Y154-M166 HydrophobicContact CE2-CB 3.88Å; Y154-M166 HydrophobicContact CE2-CE 4.26Å; M166-K173 HydrophobicContact SD-CB 4.28Å; M166-L174 CarbonylContact C-O 3.6Å; M166-L174 WeakPolarHBondContact CA-O 3.46Å; M166-L175 HydrophobicContact CB-CD1 4.21Å; M166-L175 HydrophobicContact CE-CB 3.98Å; M166-L175 HydrophobicContact CE-CD1 4.07Å; M166-L175 HydrophobicContact CE-CD2 4.33Å; M166-L175 HydrophobicContact CE-CG 4.36Å; M166-L175 HydrophobicContact SD-CB 4Å; M166-L175 HydrophobicContact SD-CD1 4.46Å; M166-P194 HydrophobicContact CE-CB 4.1Å; M166-P194 HydrophobicContact CE-CG 4.37Å; M166-I196 WeakPolarHBondContact CE-O 3.49Å; M166-P198 HydrophobicContact CE-CB 4.14Å; M166-P198 HydrophobicContact CE-CG 4.46Å; M166-P198 HydrophobicContact SD-CB 4.09Å
167I98.8Very high96.6Very high2 Ų210.8 Ų10.81%0.017%0.073CC..EExtended strand (participates in β ladder)trans-126.2129.8-173-59.8162.7000107.8L30 I37 L39 L68 I149 K150 F151 I169 K173 L174L30-I167 HydrophobicContact CD2-CD1 4.42Å; L30-I167 HydrophobicContact CD2-CG2 4.42Å; I37-I167 HydrophobicContact CD1-CG2 3.72Å; L39-I167 HydrophobicContact CD2-CD1 3.56Å; L68-I167 HydrophobicContact CD1-CD1 3.75Å; L68-I167 HydrophobicContact CD1-CG1 3.89Å; I149-I167 HydrophobicContact CG2-CG2 3.75Å; K150-I167 CarbonylContact O-C 3.26Å; K150-I167 WeakPolarHBondContact O-CA 3.23Å; F151-I167 HydrophobicContact CB-CG1 4.29Å; I167-I169 HydrophobicContact CG2-CD1 4.36Å; I167-I169 HydrophobicContact CG2-CG1 4.18Å; I167-K173 CarbonylContact O-C 3.56Å; I167-K173 VanDerWaalsContact O-CA 3.31Å; I167-K173 WeakPolarHBondContact O-CA 3.28Å; I167-L174 HydrophobicContact CD1-CD2 4.21Å; I167-L174 PolarHBondContact N-O 3.38Å; I167-L174 PolarHBondContact O-N 3.18Å
168E97.8Very high96.7Very high56 Ų5610.5 Ų10.526%0.2627%0.069SC..EExtended strand (participates in β ladder)trans-123.1121.1178.1-174.3-169.6163.600110.3K150 W152 V172 K173K150-E168 HydrophobicContact CB-CB 4.27Å; K150-E168 PolarHBondContact N-O 2.86Å; K150-E168 PolarHBondContact O-N 2.88Å; W152-E168 HydrophobicContact CH2-CB 4.28Å; W152-E168 HydrophobicContact CZ3-CB 4.17Å; E168-V172 WeakPolarHBondContact CA-O 3.39Å; E168-K173 HydrophobicContact CB-CG 4.26Å; E168-K173 HydrophobicContact CG-CG 4.01Å
169I94.1Very high96.9Very high5 Ų510.5 Ų10.53%0.0267%0.07CC..EExtended strand (participates in β ladder)trans-129.5117.4175.8-55.2173.5000107.8F32 I37 I149 I167 G171 V172 F490F32-I169 HydrophobicContact CB-CD1 4.37Å; F32-I169 HydrophobicContact CD1-CB 3.87Å; F32-I169 HydrophobicContact CD1-CG2 3.62Å; F32-I169 HydrophobicContact CE1-CB 4.48Å; F32-I169 HydrophobicContact CE1-CG2 4.26Å; I37-I169 HydrophobicContact CD1-CD1 3.76Å; I149-I169 HydrophobicContact CB-CG1 4.42Å; I149-I169 HydrophobicContact CG1-CD1 4.22Å; I149-I169 HydrophobicContact CG1-CG1 4.14Å; I149-I169 HydrophobicContact CG2-CD1 4.45Å; I149-I169 HydrophobicContact CG2-CG1 4.05Å; I167-I169 HydrophobicContact CG2-CD1 4.36Å; I167-I169 HydrophobicContact CG2-CG1 4.18Å; I169-G171 PolarHBondContact O-N 2.98Å; I169-G171 VanDerWaalsContact O-N 3.11Å; I169-V172 PolarHBondContact N-O 3.24Å; I169-V172 PolarHBondContact O-N 3.45Å; I169-F490 HydrophobicContact CG2-CD2 4.26Å; I169-F490 HydrophobicContact CG2-CE2 3.63Å; I169-F490 HydrophobicContact CG2-CZ 3.77Å
170A89.2Confident97Very high42 Ų4210.5 Ų10.535%0.3477%0.069SC..THydrogen-bonded Turntrans49.438179.500000114.1F32 K33 V172 F490F32-A170 HydrophobicContact CE1-CB 4.47Å; K33-A170 HydrophobicContact CD-CB 3.68Å; A170-V172 VanDerWaalsContact C-N 3.32Å; A170-V172 PolarHBondContact O-N 2.86Å; A170-F490 HydrophobicContact CB-CB 3.96Å; A170-F490 HydrophobicContact CB-CD1 4.03Å; A170-F490 HydrophobicContact CB-CD2 4.44Å; A170-F490 HydrophobicContact CB-CG 3.87Å
171G89.8Confident97.1Very high39 Ų3910.9 Ų10.940%0.4027%0.072SC..THydrogen-bonded Turntrans86.6-14.5178.900000115.7I169 K173I169-G171 PolarHBondContact O-N 2.98Å; I169-G171 VanDerWaalsContact O-N 3.11Å; G171-K173 PolarHBondContact O-NZ 2.97Å; G171-K173 VanDerWaalsContact O-NZ 3.14Å
172V95.1Very high97.1Very high15 Ų1513.4 Ų13.49%0.0918%0.08CC..EExtended strand (participates in β ladder)trans-78.5126.7172.4-1770000108.7L12 F32 E168 I169 A170 D199 I200 F458L12-V172 HydrophobicContact CD1-CG1 3.98Å; F32-V172 HydrophobicContact CE1-CB 4.01Å; F32-V172 HydrophobicContact CE1-CG2 3.68Å; F32-V172 HydrophobicContact CZ-CG2 3.81Å; E168-V172 WeakPolarHBondContact CA-O 3.39Å; I169-V172 PolarHBondContact N-O 3.24Å; I169-V172 PolarHBondContact O-N 3.45Å; A170-V172 VanDerWaalsContact C-N 3.32Å; A170-V172 PolarHBondContact O-N 2.86Å; V172-D199 HydrophobicContact CG1-CB 4.37Å; V172-I200 HydrophobicContact CG1-CD1 4.36Å; V172-F458 HydrophobicContact CG1-CD1 4Å; V172-F458 HydrophobicContact CG1-CD2 4.1Å; V172-F458 HydrophobicContact CG1-CE1 4.09Å; V172-F458 HydrophobicContact CG1-CE2 4.19Å; V172-F458 HydrophobicContact CG1-CG 4.01Å; V172-F458 HydrophobicContact CG1-CZ 4.18Å; V172-F458 HydrophobicContact CG2-CB 3.61Å; V172-F458 HydrophobicContact CG2-CD1 3.91Å; V172-F458 HydrophobicContact CG2-CD2 4.44Å; V172-F458 HydrophobicContact CG2-CG 3.73Å
173K97.9Very high96.9Very high43 Ų4316.9 Ų16.919%0.18710%0.096CC..EExtended strand (participates in β ladder)trans-111.9126.4-176-66.6167.4-57-51.10110.5M166 I167 E168 G171 I196 K197 D199 I200M166-K173 HydrophobicContact SD-CB 4.28Å; I167-K173 CarbonylContact O-C 3.56Å; I167-K173 VanDerWaalsContact O-CA 3.31Å; I167-K173 WeakPolarHBondContact O-CA 3.28Å; E168-K173 HydrophobicContact CB-CG 4.26Å; E168-K173 HydrophobicContact CG-CG 4.01Å; G171-K173 PolarHBondContact O-NZ 2.97Å; G171-K173 VanDerWaalsContact O-NZ 3.14Å; K173-I196 HydrophobicContact CD-CG2 3.69Å; K173-K197 WeakPolarHBondContact CE-O 3.32Å; K173-D199 PolarHBondContact N-OD2 2.87Å; K173-D199 IonicContact NZ-OD1 3.8Å; K173-D199 IonicContact NZ-OD2 3.66Å; K173-D199 PolarHBondContact NZ-OD2 3.21Å; K173-D199 WeakPolarHBondContact O-CA 3.44Å; K173-D199 WeakPolarHBondContact O-CB 3.44Å; K173-D199 PolarHBondContact O-N 3.05Å; K173-I200 PolarHBondContact O-N 2.59Å; K173-I200 VanDerWaalsContact O-N 3.15Å
174L98.8Very high96.6Very high4 Ų421.8 Ų21.82%0.02112%0.119CC..EExtended strand (participates in β ladder)trans-119.9132.1175.8-177.2148.3000109.6I14 L30 L39 M166 I167 I200 I202I14-L174 HydrophobicContact CD1-CD1 3.63Å; I14-L174 HydrophobicContact CG1-CD1 4.36Å; L30-L174 HydrophobicContact CD1-CD1 4.09Å; L30-L174 HydrophobicContact CD2-CD1 4.11Å; L39-L174 HydrophobicContact CD1-CD2 4.38Å; M166-L174 CarbonylContact C-O 3.6Å; M166-L174 WeakPolarHBondContact CA-O 3.46Å; I167-L174 HydrophobicContact CD1-CD2 4.21Å; I167-L174 PolarHBondContact N-O 3.38Å; I167-L174 PolarHBondContact O-N 3.18Å; L174-I200 CarbonylContact C-O 3.59Å; L174-I200 WeakPolarHBondContact CA-O 3.34Å; L174-I200 HydrophobicContact CB-CB 4.29Å; L174-I200 HydrophobicContact CD1-CB 3.97Å; L174-I200 HydrophobicContact CD1-CD1 4.01Å; L174-I200 HydrophobicContact CD1-CG2 3.81Å; L174-I200 HydrophobicContact CG-CB 4.04Å; L174-I200 HydrophobicContact CG-CG2 4.17Å; L174-I202 HydrophobicContact CD1-CD1 3.95Å; L174-I202 HydrophobicContact CD1-CG1 4.24Å; L174-I202 HydrophobicContact CD2-CD1 3.99Å; L174-I202 HydrophobicContact CD2-CG1 4.24Å; L174-I202 HydrophobicContact CG-CD1 4.41Å; L174-I202 HydrophobicContact CG-CG1 4.42Å
175L98.9Very high96.2Very high0 Ų022.7 Ų22.70%012%0.124CC..EExtended strand (participates in β ladder)trans-107.3124170.9-178.761.8000109.3Y154 M164 M166 P194 P198 I200 L201 I202 F405 L409Y154-L175 HydrophobicContact CD2-CD1 4.44Å; M164-L175 HydrophobicContact CB-CD1 4.03Å; M166-L175 HydrophobicContact CB-CD1 4.21Å; M166-L175 HydrophobicContact CE-CB 3.98Å; M166-L175 HydrophobicContact CE-CD1 4.07Å; M166-L175 HydrophobicContact CE-CD2 4.33Å; M166-L175 HydrophobicContact CE-CG 4.36Å; M166-L175 HydrophobicContact SD-CB 4Å; M166-L175 HydrophobicContact SD-CD1 4.46Å; L175-P194 HydrophobicContact CD2-CG 3.91Å; L175-P198 HydrophobicContact CB-CB 3.9Å; L175-P198 HydrophobicContact CB-CG 3.94Å; L175-P198 HydrophobicContact CD2-CG 4.47Å; L175-I200 PolarHBondContact N-O 2.72Å; L175-L201 HydrophobicContact CB-CD1 4.07Å; L175-L201 HydrophobicContact CD2-CD1 3.98Å; L175-L201 HydrophobicContact CG-CD1 4.06Å; L175-I202 PolarHBondContact O-N 3.05Å; L175-F405 HydrophobicContact CD2-CE1 4.23Å; L175-F405 HydrophobicContact CD2-CZ 4.08Å; L175-L409 HydrophobicContact CD2-CD1 3.83Å
176Y98.9Very high95.9Very high2 Ų224 Ų241%0.00813%0.128CC..EExtended strand (participates in β ladder)trans-107.8120.9169.1173.5-125.1000109.6I28 L39 D40 M164 F165 I202I28-Y176 HydrophobicContact CD1-CD2 4.39Å; I28-Y176 HydrophobicContact CD1-CE2 3.68Å; L39-Y176 HydrophobicContact CB-CD1 3.91Å; L39-Y176 HydrophobicContact CB-CE1 3.94Å; L39-Y176 HydrophobicContact CB-CG 4.38Å; L39-Y176 HydrophobicContact CD1-CD1 4.23Å; L39-Y176 HydrophobicContact CD1-CD2 4.41Å; L39-Y176 HydrophobicContact CD1-CG 3.94Å; L39-Y176 HydrophobicContact CD2-CD1 4.42Å; L39-Y176 HydrophobicContact CG-CD1 4.42Å; D40-Y176 WeakPolarHBondContact OD2-CE1 3.35Å; D40-Y176 VanDerWaalsContact OD2-CZ 3.27Å; D40-Y176 PolarHBondContact OD2-OH 3.13Å; M164-Y176 CarbonylContact C-O 3.57Å; M164-Y176 VanDerWaalsContact CA-O 3.25Å; M164-Y176 WeakPolarHBondContact CA-O 3.38Å; F165-Y176 PolarHBondContact N-O 3Å; F165-Y176 PolarHBondContact O-N 3.28Å; Y176-I202 HydrophobicContact CD2-CB 3.91Å; Y176-I202 HydrophobicContact CD2-CG2 3.69Å; Y176-I202 HydrophobicContact CE2-CG2 4.09Å
177T98.8Very high95.6Very high0 Ų024 Ų240%013%0.128CC..  trans-77.6-27-175.861.60000113.3M164 F180 L201 I202 I203 E204 F405M164-T177 WeakPolarHBondContact CG-O 3.43Å; M164-T177 HydrophobicContact SD-CG2 4.05Å; T177-F180 HydrophobicContact CG2-CD1 4.42Å; T177-F180 HydrophobicContact CG2-CE1 4.47Å; T177-L201 HydrophobicContact CG2-CD1 3.95Å; T177-I202 PolarHBondContact N-O 3.17Å; T177-I203 HydrophobicContact CG2-CB 4.25Å; T177-I203 HydrophobicContact CG2-CD1 4.43Å; T177-I203 HydrophobicContact CG2-CG1 4.02Å; T177-I203 WeakPolarHBondContact OG1-CA 3.29Å; T177-E204 PolarHBondContact OG1-N 3.41Å; T177-F405 HydrophobicContact CG2-CE1 4.12Å
178G98.6Very high95.4Very high1 Ų124.1 Ų24.11%0.0113%0.129CC..  trans53.8-141.5-154.200000109.5
179D98.4Very high95.2Very high2 Ų223.8 Ų23.81%0.01113%0.128CC..SBendtrans-92135.4168.5-68.7-6.4000110.8H71 H76 H158 E204 H396 H418H71-D179 IonicContact CE1-OD2 2.76Å; H71-D179 IonicContact NE2-OD2 3.93Å; H76-D179 IonicContact CE1-OD1 3.97Å; H76-D179 IonicContact NE2-OD1 3.87Å; H76-D179 IonicContact NE2-OD2 3.76Å; H76-D179 PolarHBondContact NE2-OD2 3.46Å; H158-D179 IonicContact NE2-OD2 3.48Å; D179-E204 WeakPolarHBondContact CA-OE1 3.38Å; D179-H396 IonicContact OD2-CE1 3.99Å; D179-H396 PolarHBondContact OD2-CE1 2.95Å; D179-H396 VanDerWaalsContact OD2-CE1 3.28Å; D179-H396 IonicContact OD2-ND1 2.65Å; D179-H418 IonicContact OD1-CE1 3.96Å; D179-H418 PolarHBondContact OD1-CE1 3.42Å; D179-H418 IonicContact OD1-CG 2.91Å; D179-H418 IonicContact OD1-ND1 2.7Å; D179-H418 PolarHBondContact OD1-ND1 3.18Å; D179-H418 IonicContact OD2-CE1 3.88Å; D179-H418 PolarHBondContact OD2-CE1 2.74Å
180F98.1Very high95.3Very high0 Ų024.9 Ų24.90%014%0.138CC..  trans-144.7153-174.583.4-62.2000112.9A156 M164 T177 R182 A191 I203 E204 H396 T397 F405A156-F180 HydrophobicContact CB-CB 4.01Å; A156-F180 CarbonylContact O-C 3.54Å; A156-F180 WeakPolarHBondContact O-CA 3.31Å; A156-F180 WeakPolarHBondContact O-CB 3.32Å; M164-F180 HydrophobicContact SD-CB 4.32Å; M164-F180 HydrophobicContact SD-CD2 4.24Å; M164-F180 HydrophobicContact SD-CG 4.42Å; T177-F180 HydrophobicContact CG2-CD1 4.42Å; T177-F180 HydrophobicContact CG2-CE1 4.47Å; F180-R182 HydrophobicContact CD2-CG 4.09Å; F180-R182 HydrophobicContact CE2-CG 3.75Å; F180-A191 HydrophobicContact CB-CB 4.12Å; F180-A191 HydrophobicContact CD2-CB 3.65Å; F180-A191 HydrophobicContact CG-CB 4.38Å; F180-I203 HydrophobicContact CE1-CD1 3.92Å; F180-I203 HydrophobicContact CE1-CG1 3.83Å; F180-I203 HydrophobicContact CZ-CD1 3.8Å; F180-I203 HydrophobicContact CZ-CG1 4.25Å; F180-E204 HydrophobicContact CD1-CG 3.8Å; F180-E204 HydrophobicContact CE1-CG 3.9Å; F180-E204 PolarHBondContact N-OE1 3.41Å; F180-E204 VanDerWaalsContact O-OE1 3.13Å; F180-H396 CarbonylContact O-C 3.53Å; F180-H396 WeakPolarHBondContact O-CA 3.37Å; F180-T397 HydrophobicContact CD1-CG2 4.2Å; F180-T397 HydrophobicContact CD2-CG2 3.89Å; F180-T397 HydrophobicContact CE1-CG2 3.8Å; F180-T397 VanDerWaalsContact CE1-OG1 3.29Å; F180-T397 WeakPolarHBondContact CE1-OG1 3.4Å; F180-T397 HydrophobicContact CE2-CG2 3.47Å; F180-T397 VanDerWaalsContact CE2-CG2 3.47Å; F180-T397 HydrophobicContact CG-CG2 4.23Å; F180-T397 HydrophobicContact CZ-CG2 3.41Å; F180-T397 VanDerWaalsContact CZ-CG2 3.41Å; F180-T397 WeakPolarHBondContact CZ-OG1 3.32Å; F180-T397 PolarHBondContact O-N 3.31Å; F180-T397 VanDerWaalsContact O-N 3.14Å; F180-F405 HydrophobicContact CE2-CB 4.38Å; F180-F405 HydrophobicContact CE2-CD1 4.23Å; F180-F405 AromaticContact CE2-CD2 3.94Å; F180-F405 HydrophobicContact CE2-CD2 3.94Å; F180-F405 HydrophobicContact CE2-CE1 4.49Å; F180-F405 HydrophobicContact CE2-CE2 4.23Å; F180-F405 AromaticContact CE2-CG 3.93Å; F180-F405 HydrophobicContact CE2-CG 3.93Å; F180-F405 HydrophobicContact CE2-CZ 4.49Å; F180-F405 HydrophobicContact CZ-CB 4.5Å; F180-F405 HydrophobicContact CZ-CD1 4.28Å; F180-F405 HydrophobicContact CZ-CG 4.26Å
181S97.1Very high95.7Very high9 Ų922.9 Ų22.96%0.06312%0.121CC..  trans-131.1140.3170.335.30000111.7A156 H158 A191 A395A156-S181 PolarHBondContact O-N 3.34Å; H158-S181 VanDerWaalsContact CA-OG 3.28Å; H158-S181 WeakPolarHBondContact CA-OG 3.34Å; H158-S181 PolarHBondContact N-OG 2.96Å; S181-A191 WeakPolarHBondContact O-CB 3.18Å; S181-A191 PolarHBondContact O-N 3.29Å; S181-A395 WeakPolarHBondContact CB-O 3.45Å; S181-A395 PolarHBondContact OG-O 3.31Å
182R95.9Very high96.1Very high58 Ų5823.7 Ų23.722%0.21912%0.115CC..SBendtrans-101.37-178.6-75.2-73-63.4133.49.4114.1F180 A190 A191 T397 Q401 E404F180-R182 HydrophobicContact CD2-CG 4.09Å; F180-R182 HydrophobicContact CE2-CG 3.75Å; R182-A190 WeakPolarHBondContact O-CB 3.48Å; R182-A191 WeakPolarHBondContact CD-O 3.34Å; R182-A191 HydrophobicContact CG-CB 4.4Å; R182-A191 PolarHBondContact NH1-O 3.15Å; R182-T397 HydrophobicContact CB-CG2 4.17Å; R182-T397 HydrophobicContact CG-CG2 3.92Å; R182-Q401 HydrophobicContact CB-CB 4.15Å; R182-Q401 HydrophobicContact CB-CG 4.14Å; R182-E404 IonicContact NH2-OE1 3.53Å
183Q92.8Very high96.3Very high75 Ų7525.7 Ų25.735%0.3512%0.124SC..SBendtrans-107.8135.6171.7-92.2170.360.600109.5
184E91.9Very high96.3Very high104 Ų10423.9 Ų23.949%0.48612%0.117SC..  trans-70.6133.8171.5-161.9177.3-179.100109.3L188 N290E184-L188 VanDerWaalsContact CG-O 3.23Å; E184-L188 WeakPolarHBondContact CG-O 3.35Å; E184-N290 HydrophobicContact CG-CB 4.35Å; E184-N290 VanDerWaalsContact OE1-CB 3.26Å; E184-N290 WeakPolarHBondContact OE1-CB 3.39Å
185D90.7Very high96.1Very high19 Ų1931.5 Ų31.510%0.10216%0.158CC..  trans-102.7-168.9174.878.722.8000110.2H187 L188 R245 E248 N290D185-H187 PolarHBondContact O-N 3.27Å; D185-H187 IonicContact OD1-CE1 3.18Å; D185-H187 IonicContact OD1-CG 3.75Å; D185-H187 PolarHBondContact OD1-N 2.82Å; D185-H187 IonicContact OD1-ND1 3.16Å; D185-H187 PolarHBondContact OD1-ND1 2.87Å; D185-H187 IonicContact OD2-CE1 2.68Å; D185-H187 IonicContact OD2-ND1 3.29Å; D185-L188 PolarHBondContact N-O 3.31Å; D185-L188 WeakPolarHBondContact OD1-CB 3.46Å; D185-L188 PolarHBondContact OD1-N 2.85Å; D185-R245 IonicContact OD2-CZ 2.68Å; D185-R245 IonicContact OD2-NH1 3.77Å; D185-R245 PolarHBondContact OD2-NH1 3.29Å; D185-R245 IonicContact OD2-NH2 3.72Å; D185-R245 PolarHBondContact OD2-NH2 2.92Å; D185-E248 WeakPolarHBondContact CB-OE1 3.46Å; D185-N290 PolarHBondContact O-ND2 3.19Å; D185-N290 VanDerWaalsContact O-ND2 3.13Å
186R93.6Very high96Very high27 Ų2734.9 Ų34.910%0.10218%0.175CC..SBendtrans-65.4-26.3-178.8-67.1167.4164.5-99.8-2.5112.3E219 E248 L251 E255 N290 I293R186-E219 IonicContact CZ-OE2 3.33Å; R186-E219 VanDerWaalsContact CZ-OE2 3.32Å; R186-E219 IonicContact NE-OE1 2.74Å; R186-E219 PolarHBondContact NE-OE1 3.28Å; R186-E219 IonicContact NE-OE2 3.43Å; R186-E219 PolarHBondContact NE-OE2 2.93Å; R186-E219 VanDerWaalsContact NE-OE2 3.09Å; R186-E219 IonicContact NH2-OE2 2.69Å; R186-E219 PolarHBondContact NH2-OE2 3.43Å; R186-E248 VanDerWaalsContact CB-OE1 3.24Å; R186-E248 WeakPolarHBondContact CB-OE1 3.31Å; R186-E248 WeakPolarHBondContact CB-OE2 3.49Å; R186-E248 VanDerWaalsContact CG-OE1 3.23Å; R186-E248 WeakPolarHBondContact CG-OE1 3.27Å; R186-E248 PolarHBondContact N-OE1 3.02Å; R186-E248 PolarHBondContact N-OE2 3.11Å; R186-L251 HydrophobicContact CB-CD1 4.17Å; R186-E255 IonicContact CZ-OE1 2.77Å; R186-E255 IonicContact CZ-OE2 3.91Å; R186-E255 IonicContact NH1-OE1 3.81Å; R186-E255 PolarHBondContact NH1-OE1 2.52Å; R186-E255 VanDerWaalsContact NH1-OE1 3.11Å; R186-E255 IonicContact NH1-OE2 3.48Å; R186-E255 PolarHBondContact NH1-OE2 3.17Å; R186-E255 IonicContact NH2-OE1 3.84Å; R186-E255 PolarHBondContact NH2-OE1 3.34Å; R186-E255 IonicContact NH2-OE2 3.58Å; R186-N290 PolarHBondContact O-ND2 3.2Å; R186-I293 WeakPolarHBondContact O-CG1 3.45Å
187H92.4Very high96Very high0 Ų040.6 Ų40.60%020%0.2CC..SBendtrans-128.6-20.4-175.871.2-67.8000117.3D185 R245 E248 L251 Y282 M289 N290 I293 F303D185-H187 PolarHBondContact O-N 3.27Å; D185-H187 IonicContact OD1-CE1 3.18Å; D185-H187 IonicContact OD1-CG 3.75Å; D185-H187 PolarHBondContact OD1-N 2.82Å; D185-H187 IonicContact OD1-ND1 3.16Å; D185-H187 PolarHBondContact OD1-ND1 2.87Å; D185-H187 IonicContact OD2-CE1 2.68Å; D185-H187 IonicContact OD2-ND1 3.29Å; H187-R245 PolarHBondContact CE1-NH2 2.9Å; H187-E248 IonicContact CE1-OE2 3.11Å; H187-E248 PolarHBondContact CE1-OE2 2.98Å; H187-E248 IonicContact CG-OE2 2.73Å; H187-E248 IonicContact ND1-OE2 3.08Å; H187-E248 PolarHBondContact ND1-OE2 3.29Å; H187-L251 HydrophobicContact CB-CD1 3.98Å; H187-Y282 AromaticContact NE2-CE1 3.81Å; H187-M289 CarbonylContact O-C 3.54Å; H187-M289 WeakPolarHBondContact O-CA 3.09Å; H187-M289 WeakPolarHBondContact O-CB 3.42Å; H187-N290 WeakPolarHBondContact CA-ND2 3.41Å; H187-N290 PolarHBondContact N-ND2 3.4Å; H187-N290 PolarHBondContact O-N 3.33Å; H187-I293 HydrophobicContact CB-CD1 4.35Å; H187-I293 HydrophobicContact CB-CG1 3.87Å; H187-F303 HydrophobicContact CB-CZ 3.92Å
188L94.3Very high95.9Very high5 Ų540.8 Ų40.83%0.02620%0.201CC..  trans-107.2151.4-178.7-59-176.6000111.8V159 L160 E184 D185V159-L188 VanDerWaalsContact CA-CD1 3.49Å; L160-L188 HydrophobicContact CB-CD2 4.22Å; L160-L188 HydrophobicContact CD1-CD2 3.95Å; E184-L188 VanDerWaalsContact CG-O 3.23Å; E184-L188 WeakPolarHBondContact CG-O 3.35Å; D185-L188 PolarHBondContact N-O 3.31Å; D185-L188 WeakPolarHBondContact OD1-CB 3.46Å; D185-L188 PolarHBondContact OD1-N 2.85Å
189M93.6Very high95.9Very high49 Ų4942.7 Ų42.724%0.24121%0.212CC..PPolyproline II helixtrans-77.5156.9172.3-59.1174.4-62.900110.3H155 G157 N290H155-M189 HydrophobicContact CB-CE 4.19Å; H155-M189 VanDerWaalsContact CE1-CE 3.42Å; H155-M189 WeakPolarHBondContact CE1-CE 3.44Å; H155-M189 VanDerWaalsContact CG-CE 3.46Å; H155-M189 WeakPolarHBondContact ND1-CE 3.32Å; G157-M189 WeakPolarHBondContact CA-O 3.44Å; M189-N290 HydrophobicContact CG-CB 3.85Å
190A96.4Very high95.9Very high28 Ų2842.6 Ų42.623%0.23121%0.211CC..PPolyproline II helixtrans-66.9151.8163.300000110.7R182R182-A190 WeakPolarHBondContact O-CB 3.48Å
191A97.9Very high96Very high0 Ų042.6 Ų42.60%021%0.211CC..PPolyproline II helixtrans-56.7140.4172.700000111H155 A156 M164 F180 S181 R182H155-A191 CarbonylContact O-C 3.55Å; H155-A191 VanDerWaalsContact O-CA 3.22Å; H155-A191 WeakPolarHBondContact O-CA 3.45Å; A156-A191 WeakPolarHBondContact O-CB 3.39Å; M164-A191 HydrophobicContact CE-CB 4.23Å; M164-A191 HydrophobicContact SD-CB 4.39Å; F180-A191 HydrophobicContact CB-CB 4.12Å; F180-A191 HydrophobicContact CD2-CB 3.65Å; F180-A191 HydrophobicContact CG-CB 4.38Å; S181-A191 WeakPolarHBondContact O-CB 3.18Å; S181-A191 PolarHBondContact O-N 3.29Å; R182-A191 WeakPolarHBondContact CD-O 3.34Å; R182-A191 HydrophobicContact CG-CB 4.4Å; R182-A191 PolarHBondContact NH1-O 3.15Å
192E98.2Very high96Very high56 Ų5642.2 Ų42.226%0.26221%0.208SC..PPolyproline II helixtrans-75154.2179.9-67.4169.3148.600111.5H141 Y154 H155 M164 P194 F405H141-E192 IonicContact CD2-OE2 3.59Å; H141-E192 IonicContact CE1-OE1 3.33Å; H141-E192 PolarHBondContact CE1-OE1 3.15Å; H141-E192 IonicContact CE1-OE2 3.86Å; H141-E192 VanDerWaalsContact NE2-CD 3.31Å; H141-E192 IonicContact NE2-OE1 3.27Å; H141-E192 PolarHBondContact NE2-OE1 3.45Å; H141-E192 VanDerWaalsContact NE2-OE1 3.11Å; H141-E192 IonicContact NE2-OE2 2.68Å; H141-E192 PolarHBondContact NE2-OE2 2.94Å; Y154-E192 WeakPolarHBondContact CA-OE2 3.45Å; Y154-E192 VanDerWaalsContact CB-OE2 3.28Å; Y154-E192 WeakPolarHBondContact CB-OE2 3.47Å; Y154-E192 HydrophobicContact CD1-CB 4.46Å; Y154-E192 VanDerWaalsContact CD1-OE2 3.3Å; Y154-E192 WeakPolarHBondContact CD1-OE2 3.45Å; H155-E192 HydrophobicContact CB-CG 4.16Å; H155-E192 IonicContact CD2-OE1 2.78Å; H155-E192 PolarHBondContact CD2-OE1 2.84Å; H155-E192 PolarHBondContact N-OE2 3.37Å; H155-E192 PolarHBondContact O-N 2.81Å; M164-E192 WeakPolarHBondContact CE-O 3.46Å; E192-P194 WeakPolarHBondContact O-CD 3.21Å; E192-F405 WeakPolarHBondContact O-CE2 3.33Å
193I98.4Very high96.2Very high57 Ų5739.4 Ų39.429%0.29220%0.198SC..  trans-100113164.9-62.1178.4000106.9N195 F405 A408 L409I193-N195 PolarHBondContact O-N 3.03Å; I193-F405 HydrophobicContact CG1-CD2 3.97Å; I193-F405 HydrophobicContact CG1-CE2 4.11Å; I193-A408 HydrophobicContact CD1-CB 4.13Å; I193-A408 HydrophobicContact CG2-CB 3.87Å; I193-L409 HydrophobicContact CG2-CD2 4.02Å; I193-L409 HydrophobicContact CG2-CG 4.47Å
194P97.8Very high96.5Very high6 Ų635.9 Ų35.94%0.03918%0.181CC..  trans-58.6133.7179.6-30.138.1000113Y154 M166 L175 E192 I196 L409Y154-P194 HydrophobicContact CD1-CG 4.41Å; Y154-P194 HydrophobicContact CD2-CB 4.34Å; Y154-P194 HydrophobicContact CD2-CG 3.69Å; Y154-P194 HydrophobicContact CE1-CB 4.24Å; Y154-P194 HydrophobicContact CE1-CG 4.36Å; Y154-P194 HydrophobicContact CE2-CB 3.76Å; Y154-P194 HydrophobicContact CE2-CG 3.6Å; Y154-P194 HydrophobicContact CG-CG 4.09Å; M166-P194 HydrophobicContact CE-CB 4.1Å; M166-P194 HydrophobicContact CE-CG 4.37Å; L175-P194 HydrophobicContact CD2-CG 3.91Å; E192-P194 WeakPolarHBondContact O-CD 3.21Å; P194-I196 PolarHBondContact O-N 2.84Å; P194-L409 HydrophobicContact CB-CD2 4.43Å
195N96.3Very high96.7Very high164 Ų16431 Ų3188%0.87716%0.159SC*.SBendtrans-68.3-25.6169.8-68.6-40.7000112.1I193I193-N195 PolarHBondContact O-N 3.03Å
196I96.6Very high96.8Very high71 Ų7130.2 Ų30.236%0.36415%0.154SC..SBendtrans-85.6116.7175.9-60.3172000107.8W152 M166 K173 P194W152-I196 HydrophobicContact CH2-CD1 4.4Å; W152-I196 HydrophobicContact CZ2-CD1 3.6Å; W152-I196 HydrophobicContact CZ2-CG2 4.45Å; M166-I196 WeakPolarHBondContact CE-O 3.49Å; K173-I196 HydrophobicContact CD-CG2 3.69Å; P194-I196 PolarHBondContact O-N 2.84Å
197K97.2Very high96.7Very high121 Ų12129.7 Ų29.753%0.52615%0.152SC..PPolyproline II helixtrans-75.8127.3178.7-66-171.7173.6-1680111K173K173-K197 WeakPolarHBondContact CE-O 3.32Å
198P98.2Very high96.4Very high4 Ų429.7 Ų29.73%0.02615%0.153CC..PPolyproline II helixtrans-80.6152.7174.332.9-33.3000111.5M166 L175 I200 L409 P411M166-P198 HydrophobicContact CE-CB 4.14Å; M166-P198 HydrophobicContact CE-CG 4.46Å; M166-P198 HydrophobicContact SD-CB 4.09Å; L175-P198 HydrophobicContact CB-CB 3.9Å; L175-P198 HydrophobicContact CB-CG 3.94Å; L175-P198 HydrophobicContact CD2-CG 4.47Å; P198-I200 WeakPolarHBondContact CB-O 3.43Å; P198-L409 HydrophobicContact CG-CD1 4.37Å; P198-P411 HydrophobicContact CG-CB 4.47Å
199D98.1Very high96.2Very high42 Ų4231.7 Ų31.723%0.22517%0.165CC..SBendtrans-80.9-27.8170.8-54.8-65.6000110.9V172 K173 P412 H413 F458V172-D199 HydrophobicContact CG1-CB 4.37Å; K173-D199 PolarHBondContact N-OD2 2.87Å; K173-D199 IonicContact NZ-OD1 3.8Å; K173-D199 IonicContact NZ-OD2 3.66Å; K173-D199 PolarHBondContact NZ-OD2 3.21Å; K173-D199 WeakPolarHBondContact O-CA 3.44Å; K173-D199 WeakPolarHBondContact O-CB 3.44Å; K173-D199 PolarHBondContact O-N 3.05Å; D199-P412 WeakPolarHBondContact O-CD 3.4Å; D199-H413 PolarHBondContact O-N 3.39Å; D199-F458 HydrophobicContact CB-CE1 3.91Å; D199-F458 HydrophobicContact CB-CZ 4.31Å
200I98.8Very high96Very high0 Ų033 Ų330%017%0.17CC..EExtended strand (participates in β ladder)trans-134.1132.9178.5-52.8161.2000109.4L12 I14 V172 K173 L174 L175 P198 H413 I415 L456 F458L12-I200 HydrophobicContact CD1-CD1 3.67Å; L12-I200 HydrophobicContact CD2-CD1 3.63Å; L12-I200 HydrophobicContact CG-CD1 4.3Å; I14-I200 HydrophobicContact CD1-CD1 4.22Å; I14-I200 HydrophobicContact CD1-CG2 3.83Å; V172-I200 HydrophobicContact CG1-CD1 4.36Å; K173-I200 PolarHBondContact O-N 2.59Å; K173-I200 VanDerWaalsContact O-N 3.15Å; L174-I200 CarbonylContact C-O 3.59Å; L174-I200 WeakPolarHBondContact CA-O 3.34Å; L174-I200 HydrophobicContact CB-CB 4.29Å; L174-I200 HydrophobicContact CD1-CB 3.97Å; L174-I200 HydrophobicContact CD1-CD1 4.01Å; L174-I200 HydrophobicContact CD1-CG2 3.81Å; L174-I200 HydrophobicContact CG-CB 4.04Å; L174-I200 HydrophobicContact CG-CG2 4.17Å; L175-I200 PolarHBondContact N-O 2.72Å; P198-I200 WeakPolarHBondContact CB-O 3.43Å; I200-H413 WeakPolarHBondContact CA-O 3.46Å; I200-I415 HydrophobicContact CG2-CD1 3.78Å; I200-L456 HydrophobicContact CD1-CD1 3.87Å; I200-L456 HydrophobicContact CG1-CD1 3.9Å; I200-F458 HydrophobicContact CD1-CE2 3.65Å; I200-F458 HydrophobicContact CD1-CZ 3.8Å; I200-F458 HydrophobicContact CG1-CE2 4.09Å; I200-F458 HydrophobicContact CG1-CZ 3.72Å
201L98.9Very high95.7Very high0 Ų036.8 Ų36.80%019%0.186CC..EExtended strand (participates in β ladder)trans-115.6117.4172.417562.1000109.8L175 T177 I203 F405 I406 P411 H413 V414 I415L175-L201 HydrophobicContact CB-CD1 4.07Å; L175-L201 HydrophobicContact CD2-CD1 3.98Å; L175-L201 HydrophobicContact CG-CD1 4.06Å; T177-L201 HydrophobicContact CG2-CD1 3.95Å; L201-I203 HydrophobicContact CD1-CB 4.36Å; L201-I203 HydrophobicContact CD2-CB 4.36Å; L201-I203 HydrophobicContact CD2-CD1 4.13Å; L201-I203 HydrophobicContact CG-CB 4.05Å; L201-I203 HydrophobicContact CG-CG2 4.42Å; L201-F405 HydrophobicContact CD1-CE1 4.15Å; L201-F405 HydrophobicContact CD2-CD1 4.32Å; L201-F405 HydrophobicContact CD2-CE1 4.38Å; L201-I406 HydrophobicContact CD2-CG1 3.91Å; L201-P411 HydrophobicContact CB-CB 3.89Å; L201-P411 HydrophobicContact CB-CG 3.67Å; L201-P411 HydrophobicContact CD2-CG 3.96Å; L201-P411 HydrophobicContact CG-CG 4.49Å; L201-H413 PolarHBondContact N-O 2.87Å; L201-V414 CarbonylContact O-C 3.31Å; L201-V414 WeakPolarHBondContact O-CA 3.24Å; L201-I415 PolarHBondContact O-N 3.5Å
202I98.9Very high95.2Very high0 Ų038.6 Ų38.60%019%0.194CC..EExtended strand (participates in β ladder)trans-97.3116.7165.9-54.5-179.1000107.4I14 I28 L39 L174 L175 Y176 T177 I415 V417I14-I202 HydrophobicContact CD1-CD1 4.23Å; I14-I202 HydrophobicContact CG2-CD1 3.87Å; I28-I202 HydrophobicContact CD1-CG2 4.19Å; I28-I202 HydrophobicContact CG2-CD1 4.16Å; L39-I202 HydrophobicContact CD1-CD1 4.04Å; L174-I202 HydrophobicContact CD1-CD1 3.95Å; L174-I202 HydrophobicContact CD1-CG1 4.24Å; L174-I202 HydrophobicContact CD2-CD1 3.99Å; L174-I202 HydrophobicContact CD2-CG1 4.24Å; L174-I202 HydrophobicContact CG-CD1 4.41Å; L174-I202 HydrophobicContact CG-CG1 4.42Å; L175-I202 PolarHBondContact O-N 3.05Å; Y176-I202 HydrophobicContact CD2-CB 3.91Å; Y176-I202 HydrophobicContact CD2-CG2 3.69Å; Y176-I202 HydrophobicContact CE2-CG2 4.09Å; T177-I202 PolarHBondContact N-O 3.17Å; I202-I415 WeakPolarHBondContact CA-O 3.34Å; I202-I415 HydrophobicContact CG1-CB 4.26Å; I202-I415 HydrophobicContact CG1-CD1 4.3Å; I202-V417 HydrophobicContact CG2-CG1 4.01Å; I202-V417 HydrophobicContact CG2-CG2 3.7Å
203I98.9Very high94.8Very high0 Ų038.8 Ų38.80%020%0.195CC..EExtended strand (participates in β ladder)trans-131141.3-170.1-170.5162.4000111.8T177 F180 L201 T402 F405 I406 V414 I415 L416 V417T177-I203 HydrophobicContact CG2-CB 4.25Å; T177-I203 HydrophobicContact CG2-CD1 4.43Å; T177-I203 HydrophobicContact CG2-CG1 4.02Å; T177-I203 WeakPolarHBondContact OG1-CA 3.29Å; F180-I203 HydrophobicContact CE1-CD1 3.92Å; F180-I203 HydrophobicContact CE1-CG1 3.83Å; F180-I203 HydrophobicContact CZ-CD1 3.8Å; F180-I203 HydrophobicContact CZ-CG1 4.25Å; L201-I203 HydrophobicContact CD1-CB 4.36Å; L201-I203 HydrophobicContact CD2-CB 4.36Å; L201-I203 HydrophobicContact CD2-CD1 4.13Å; L201-I203 HydrophobicContact CG-CB 4.05Å; L201-I203 HydrophobicContact CG-CG2 4.42Å; I203-T402 HydrophobicContact CD1-CG2 3.88Å; I203-F405 HydrophobicContact CD1-CD1 3.97Å; I203-I406 HydrophobicContact CD1-CG1 4.35Å; I203-V414 HydrophobicContact CG2-CG1 3.75Å; I203-I415 PolarHBondContact N-O 3.3Å; I203-L416 HydrophobicContact CG2-CD2 3.66Å; I203-V417 PolarHBondContact O-N 2.62Å
204E98.5Very high94.5Very high1 Ų142.3 Ų42.31%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-63.1161.2172.266.5153.3134.200112.2T177 D179 F180 T206 H396 V417 H418T177-E204 PolarHBondContact OG1-N 3.41Å; D179-E204 WeakPolarHBondContact CA-OE1 3.38Å; F180-E204 HydrophobicContact CD1-CG 3.8Å; F180-E204 HydrophobicContact CE1-CG 3.9Å; F180-E204 PolarHBondContact N-OE1 3.41Å; F180-E204 VanDerWaalsContact O-OE1 3.13Å; E204-T206 VanDerWaalsContact OE2-CB 3.27Å; E204-T206 WeakPolarHBondContact OE2-CB 3.46Å; E204-T206 PolarHBondContact OE2-OG1 3.2Å; E204-H396 IonicContact OE1-CG 3.5Å; E204-H396 IonicContact OE1-ND1 3.36Å; E204-H396 PolarHBondContact OE1-ND1 3.19Å; E204-H396 IonicContact OE2-CE1 2.74Å; E204-H396 IonicContact OE2-CG 3.67Å; E204-H396 IonicContact OE2-ND1 2.67Å; E204-H396 PolarHBondContact OE2-ND1 3.23Å; E204-V417 CarbonylContact C-O 3.58Å; E204-V417 WeakPolarHBondContact CA-O 3.49Å; E204-H418 HydrophobicContact CB-CB 4.08Å
205S97.7Very high94.2Very high2 Ų245.3 Ų45.31%0.01422%0.219CC..  trans-137.217.2-178.553.40000113.9Y207 G208 V417 H418 G419 M424S205-Y207 PolarHBondContact O-N 3.16Å; S205-G208 PolarHBondContact O-N 2.9Å; S205-V417 PolarHBondContact N-O 3.2Å; S205-V417 PolarHBondContact OG-O 2.85Å; S205-H418 CarbonylContact C-O 3.51Å; S205-H418 PolarHBondContact N-O 2.76Å; S205-H418 PolarHBondContact OG-O 2.92Å; S205-G419 WeakPolarHBondContact OG-CA 3.42Å; S205-M424 WeakPolarHBondContact OG-CE 3.43Å
206T93.1Very high94.1Very high1 Ų143 Ų431%0.00620%0.203CC..THydrogen-bonded Turntrans-51.8-46.8-172.1-41.80000114E204 Y357 H396 H418E204-T206 VanDerWaalsContact OE2-CB 3.27Å; E204-T206 WeakPolarHBondContact OE2-CB 3.46Å; E204-T206 PolarHBondContact OE2-OG1 3.2Å; T206-Y357 HydrophobicContact CG2-CD2 3.87Å; T206-Y357 HydrophobicContact CG2-CE2 4.13Å; T206-Y357 HydrophobicContact CG2-CG 4.18Å; T206-H396 PolarHBondContact OG1-ND1 3.45Å; T206-H418 PolarHBondContact N-O 3.32Å; T206-H418 PolarHBondContact OG1-ND1 3.47Å; T206-H418 VanDerWaalsContact OG1-ND1 3.11Å; T206-H418 PolarHBondContact OG1-O 3.08Å
207Y91.3Very high94Very high16 Ų1644.6 Ų44.66%0.06321%0.208CC..BIsolated β-bridgetrans-121.924178.3-70.7-91.9000113.1S205 T209 H210 Y357 Y390 S392 S394 H396 T397S205-Y207 PolarHBondContact O-N 3.16Å; Y207-T209 PolarHBondContact O-N 3.35Å; Y207-H210 HydrophobicContact CD1-CB 4.2Å; Y207-H210 AromaticContact CD1-CD2 3.72Å; Y207-H210 PolarHBondContact O-N 3.17Å; Y207-Y357 AromaticContact CE2-CD2 3.96Å; Y207-Y357 HydrophobicContact CE2-CD2 3.96Å; Y207-Y357 AromaticContact CZ-CD2 3.79Å; Y207-Y390 PolarHBondContact OH-OH 3.46Å; Y207-S392 PolarHBondContact OH-OG 2.7Å; Y207-S394 PolarHBondContact OH-OG 3.43Å; Y207-H396 HydrophobicContact CD2-CB 3.67Å; Y207-H396 AromaticContact CD2-CD2 3.89Å; Y207-H396 AromaticContact CD2-CG 3.99Å; Y207-H396 HydrophobicContact CE2-CB 4.28Å; Y207-H396 AromaticContact CE2-CD2 3.63Å; Y207-T397 WeakPolarHBondContact CB-O 3.38Å
208G85.1Confident93.9Very high1 Ų140.1 Ų40.11%0.0119%0.188CC..THydrogen-bonded Turntrans-65.1-2.3-17200000115.9S205 Y399 L427S205-G208 PolarHBondContact O-N 2.9Å; G208-Y399 VanDerWaalsContact O-CB 3.32Å; G208-Y399 WeakPolarHBondContact O-CB 2.95Å; G208-Y399 VanDerWaalsContact O-CD2 3.28Å; G208-Y399 WeakPolarHBondContact O-CD2 3.46Å; G208-L427 WeakPolarHBondContact O-CD1 3.18Å
209T89.8Confident93.9Very high46 Ų4641 Ų4128%0.28219%0.192SC..THydrogen-bonded Turntrans-118.7-2.2174.563.40000113.7Y207 E423 R426 L427Y207-T209 PolarHBondContact O-N 3.35Å; T209-E423 HydrophobicContact CG2-CB 4.49Å; T209-E423 WeakPolarHBondContact CG2-O 3.42Å; T209-R426 HydrophobicContact CG2-CB 3.51Å; T209-L427 HydrophobicContact CG2-CB 4.24Å
210H90.1Very high93.8Very high76 Ų7641.2 Ų41.235%0.35220%0.2SC..  trans-96.6167178.4-62-75.4000109.9Y207 D398 Y399 E423Y207-H210 HydrophobicContact CD1-CB 4.2Å; Y207-H210 AromaticContact CD1-CD2 3.72Å; Y207-H210 PolarHBondContact O-N 3.17Å; H210-D398 WeakPolarHBondContact O-CB 3.46Å; H210-Y399 PolarHBondContact O-N 3.3Å; H210-Y399 VanDerWaalsContact O-N 3.08Å; H210-E423 IonicContact CD2-OE1 2.72Å; H210-E423 IonicContact CE1-OE1 2.59Å; H210-E423 IonicContact NE2-OE1 3.15Å; H210-E423 PolarHBondContact NE2-OE1 2.94Å
211I90.3Very high93.8Very high109 Ų10946 Ų4656%0.55922%0.218SC*.  trans-126.1128.7170-64-64.8000106.8Q400I211-Q400 HydrophobicContact CD1-CB 4.31Å
212H87.6Confident93.8Very high38 Ų3846 Ų4618%0.17622%0.218CC..PPolyproline II helixtrans-72.4139.5179.8-73.8-47.5000111.1H396 D398H212-H396 PolarHBondContact NE2-O 2.94Å; H212-D398 VanDerWaalsContact CD2-CB 3.49Å; H212-D398 WeakPolarHBondContact CD2-CB 3.32Å; H212-D398 IonicContact CD2-OD2 3.18Å; H212-D398 IonicContact CG-OD2 3.47Å; H212-D398 PolarHBondContact N-OD2 3.44Å
213E89.8Confident93.7Very high59 Ų5946.2 Ų46.228%0.27622%0.219SC..PPolyproline II helixtrans-63155.4160.571.3-172.2145.300109.5R218 R221E213-R218 HydrophobicContact CG-CB 3.71Å; E213-R218 HydrophobicContact CG-CG 4.29Å; E213-R218 PolarHBondContact O-NH1 2.85Å; E213-R218 WeakPolarHBondContact OE1-CB 3.37Å; E213-R218 VanDerWaalsContact OE1-CG 3.27Å; E213-R218 WeakPolarHBondContact OE1-CG 3.47Å; E213-R221 IonicContact OE1-CZ 3.63Å; E213-R221 IonicContact OE1-NE 3.26Å; E213-R221 PolarHBondContact OE1-NE 3.43Å; E213-R221 IonicContact OE1-NH2 3.09Å; E213-R221 PolarHBondContact OE1-NH2 3.29Å; E213-R221 IonicContact OE2-CZ 2.81Å; E213-R221 IonicContact OE2-NE 3.41Å; E213-R221 PolarHBondContact OE2-NE 2.77Å; E213-R221 IonicContact OE2-NH2 2.73Å
214K91.9Very high93.7Very high132 Ų13250.2 Ų50.257%0.57424%0.241SC*.PPolyproline II helixtrans-60.9145.1178.4-70.4-177.7-176166.20110E216 E217 R218K214-E216 PolarHBondContact O-N 2.91Å; K214-E217 HydrophobicContact CB-CB 4.35Å; K214-E217 HydrophobicContact CB-CG 4.14Å; K214-E217 PolarHBondContact O-N 2.95Å; K214-E217 VanDerWaalsContact O-N 3.08Å; K214-R218 PolarHBondContact O-N 2.78Å
215R92.1Very high93.7Very high69 Ų6951.1 Ų51.126%0.2625%0.246SC..Hα-helixtrans-55.4-42.2-179.6-175.5-175.764.1148.9-4.6111.8E217 R218 E219R215-E217 VanDerWaalsContact C-N 3.32Å; R215-E217 PolarHBondContact O-N 2.88Å; R215-R218 PolarHBondContact O-N 3.02Å; R215-E219 WeakPolarHBondContact CD-OE1 3.49Å; R215-E219 HydrophobicContact CG-CG 4.25Å; R215-E219 WeakPolarHBondContact CG-OE1 3.42Å; R215-E219 IonicContact NE-OE1 3.73Å; R215-E219 IonicContact NH1-OE1 3.7Å; R215-E219 WeakPolarHBondContact O-CB 3.25Å; R215-E219 WeakPolarHBondContact O-CG 3.26Å; R215-E219 PolarHBondContact O-N 3.21Å
216E93.5Very high93.7Very high116 Ų11651.1 Ų51.154%0.54225%0.246SC..Hα-helixtrans-64-39.4-179.4-5675.9-154.300111.8K214 A220K214-E216 PolarHBondContact O-N 2.91Å; E216-A220 VanDerWaalsContact O-CB 3.29Å; E216-A220 WeakPolarHBondContact O-CB 3.47Å; E216-A220 PolarHBondContact O-N 2.78Å
217E95.4Very high94Very high103 Ų10352.3 Ų52.348%0.48125%0.251SS..Hα-helixtrans-68.1-42.6177.5-66.8167.5-173.500110.7K214 R215 A220 R221K214-E217 HydrophobicContact CB-CB 4.35Å; K214-E217 HydrophobicContact CB-CG 4.14Å; K214-E217 PolarHBondContact O-N 2.95Å; K214-E217 VanDerWaalsContact O-N 3.08Å; R215-E217 VanDerWaalsContact C-N 3.32Å; R215-E217 PolarHBondContact O-N 2.88Å; E217-A220 PolarHBondContact O-N 3.09Å; E217-R221 WeakPolarHBondContact O-CB 3.39Å; E217-R221 PolarHBondContact O-N 3.15Å
218R94.9Very high94.3Very high28 Ų2856 Ų5611%0.10627%0.273CS..Hα-helixtrans-62.6-48.3175.7-171.3166.952.7-119.9-2.9112.7E213 K214 R215 A220 R221 F222 I391 S392 F393E213-R218 HydrophobicContact CG-CB 3.71Å; E213-R218 HydrophobicContact CG-CG 4.29Å; E213-R218 PolarHBondContact O-NH1 2.85Å; E213-R218 WeakPolarHBondContact OE1-CB 3.37Å; E213-R218 VanDerWaalsContact OE1-CG 3.27Å; E213-R218 WeakPolarHBondContact OE1-CG 3.47Å; K214-R218 PolarHBondContact O-N 2.78Å; R215-R218 PolarHBondContact O-N 3.02Å; R218-A220 VanDerWaalsContact C-N 3.33Å; R218-R221 PolarHBondContact O-N 2.86Å; R218-F222 WeakPolarHBondContact O-CB 3.49Å; R218-F222 PolarHBondContact O-N 2.88Å; R218-I391 HydrophobicContact CG-CG2 3.77Å; R218-S392 WeakPolarHBondContact CD-O 3.13Å; R218-S392 PolarHBondContact NE-O 3.38Å; R218-F393 HydrophobicContact CG-CE1 4.14Å; R218-F393 HydrophobicContact CG-CE2 3.89Å; R218-F393 HydrophobicContact CG-CZ 3.68Å
219E97Very high95Very high21 Ų2156 Ų5610%0.09827%0.272CS..Hα-helixtrans-61.5-43178-74.4-173.7-161.500110.6R186 R215 F222 C223 I252 F393R186-E219 IonicContact CZ-OE2 3.33Å; R186-E219 VanDerWaalsContact CZ-OE2 3.32Å; R186-E219 IonicContact NE-OE1 2.74Å; R186-E219 PolarHBondContact NE-OE1 3.28Å; R186-E219 IonicContact NE-OE2 3.43Å; R186-E219 PolarHBondContact NE-OE2 2.93Å; R186-E219 VanDerWaalsContact NE-OE2 3.09Å; R186-E219 IonicContact NH2-OE2 2.69Å; R186-E219 PolarHBondContact NH2-OE2 3.43Å; R215-E219 WeakPolarHBondContact CD-OE1 3.49Å; R215-E219 HydrophobicContact CG-CG 4.25Å; R215-E219 WeakPolarHBondContact CG-OE1 3.42Å; R215-E219 IonicContact NE-OE1 3.73Å; R215-E219 IonicContact NH1-OE1 3.7Å; R215-E219 WeakPolarHBondContact O-CB 3.25Å; R215-E219 WeakPolarHBondContact O-CG 3.26Å; R215-E219 PolarHBondContact O-N 3.21Å; E219-F222 PolarHBondContact O-N 2.78Å; E219-C223 PolarHBondContact O-N 2.94Å; E219-C223 PolarHBondContact O-SG 3.5Å; E219-I252 HydrophobicContact CG-CD1 3.89Å; E219-I252 HydrophobicContact CG-CG1 4.22Å; E219-F393 HydrophobicContact CG-CE1 4.26Å; E219-F393 HydrophobicContact CG-CZ 4.49Å
220A96.9Very high95.3Very high47 Ų4754 Ų5439%0.38826%0.26SS..Hα-helixtrans-62.4-46175.200000112E216 E217 R218 F222 C223 N224E216-A220 VanDerWaalsContact O-CB 3.29Å; E216-A220 WeakPolarHBondContact O-CB 3.47Å; E216-A220 PolarHBondContact O-N 2.78Å; E217-A220 PolarHBondContact O-N 3.09Å; R218-A220 VanDerWaalsContact C-N 3.33Å; A220-F222 VanDerWaalsContact C-N 3.33Å; A220-F222 PolarHBondContact O-N 2.88Å; A220-C223 PolarHBondContact O-N 3.46Å; A220-N224 VanDerWaalsContact O-CB 3.31Å; A220-N224 WeakPolarHBondContact O-CB 3.37Å; A220-N224 PolarHBondContact O-N 2.77Å; A220-N224 PolarHBondContact O-ND2 2.84Å
221R97.9Very high95.7Very high101 Ų10155.5 Ų55.538%0.38127%0.271SS..Hα-helixtrans-60.4-43.3177.9-172.4165.669100.7-1.7111.5E213 E217 R218 T225 Y390 I391E213-R221 IonicContact OE1-CZ 3.63Å; E213-R221 IonicContact OE1-NE 3.26Å; E213-R221 PolarHBondContact OE1-NE 3.43Å; E213-R221 IonicContact OE1-NH2 3.09Å; E213-R221 PolarHBondContact OE1-NH2 3.29Å; E213-R221 IonicContact OE2-CZ 2.81Å; E213-R221 IonicContact OE2-NE 3.41Å; E213-R221 PolarHBondContact OE2-NE 2.77Å; E213-R221 IonicContact OE2-NH2 2.73Å; E217-R221 WeakPolarHBondContact O-CB 3.39Å; E217-R221 PolarHBondContact O-N 3.15Å; R218-R221 PolarHBondContact O-N 2.86Å; R221-T225 WeakPolarHBondContact O-CB 3.37Å; R221-T225 PolarHBondContact O-N 3.49Å; R221-T225 PolarHBondContact O-OG1 3.46Å; R221-Y390 PolarHBondContact NH1-O 3.16Å; R221-I391 HydrophobicContact CG-CD1 4.25Å
222F98.2Very high96.1Very high0 Ų055 Ų550%026%0.262CS..Hα-helixtrans-59.9-54.5175.1174.6-106000112.2R218 E219 A220 N224 T225 V226 I238 L249 I252 L253 I353 I391 F393R218-F222 WeakPolarHBondContact O-CB 3.49Å; R218-F222 PolarHBondContact O-N 2.88Å; E219-F222 PolarHBondContact O-N 2.78Å; A220-F222 VanDerWaalsContact C-N 3.33Å; A220-F222 PolarHBondContact O-N 2.88Å; F222-N224 VanDerWaalsContact C-N 3.35Å; F222-N224 PolarHBondContact O-N 2.9Å; F222-T225 PolarHBondContact O-N 3Å; F222-V226 HydrophobicContact CE1-CG2 4.49Å; F222-V226 HydrophobicContact CE2-CG2 4.19Å; F222-V226 HydrophobicContact CZ-CG2 4.15Å; F222-V226 WeakPolarHBondContact O-CG2 3.35Å; F222-V226 PolarHBondContact O-N 3.2Å; F222-I238 HydrophobicContact CE2-CD1 4.09Å; F222-I238 HydrophobicContact CZ-CD1 3.87Å; F222-L249 HydrophobicContact CE1-CD2 4.16Å; F222-L249 HydrophobicContact CE2-CD2 4.09Å; F222-L249 HydrophobicContact CZ-CB 4.42Å; F222-L249 HydrophobicContact CZ-CD2 3.89Å; F222-I252 HydrophobicContact CD1-CG2 3.88Å; F222-I252 HydrophobicContact CE1-CG2 4.12Å; F222-L253 HydrophobicContact CE1-CD1 4.47Å; F222-L253 HydrophobicContact CE1-CD2 3.72Å; F222-L253 HydrophobicContact CE1-CG 3.86Å; F222-L253 HydrophobicContact CZ-CD1 4.3Å; F222-L253 HydrophobicContact CZ-CD2 4.11Å; F222-L253 HydrophobicContact CZ-CG 4.19Å; F222-I353 HydrophobicContact CD2-CG2 4.05Å; F222-I353 HydrophobicContact CE2-CD1 4.43Å; F222-I353 HydrophobicContact CE2-CG2 4.13Å; F222-I391 HydrophobicContact CB-CD1 4.29Å; F222-I391 HydrophobicContact CB-CG2 4.27Å; F222-I391 HydrophobicContact CD2-CD1 4.49Å; F222-F393 HydrophobicContact CB-CE2 3.78Å; F222-F393 HydrophobicContact CB-CZ 3.88Å; F222-F393 HydrophobicContact CD1-CZ 4.48Å; F222-F393 AromaticContact CD2-CE2 3.99Å; F222-F393 HydrophobicContact CD2-CE2 3.99Å; F222-F393 AromaticContact CG-CE2 3.86Å; F222-F393 HydrophobicContact CG-CE2 3.86Å; F222-F393 HydrophobicContact CG-CZ 4.11Å
223C98.3Very high96.5Very high5 Ų554.5 Ų54.53%0.03427%0.267CS..Hα-helixtrans-62.3-41.4-179-67.50000112.4E219 A220 T225 V226 H227 I252 Y256E219-C223 PolarHBondContact O-N 2.94Å; E219-C223 PolarHBondContact O-SG 3.5Å; A220-C223 PolarHBondContact O-N 3.46Å; C223-T225 PolarHBondContact O-N 3.11Å; C223-V226 PolarHBondContact O-N 2.9Å; C223-H227 WeakPolarHBondContact O-CB 3.2Å; C223-H227 PolarHBondContact O-N 2.84Å; C223-I252 WeakPolarHBondContact SG-CG2 3.44Å; C223-Y256 HydrophobicContact CB-CD1 4.22Å; C223-Y256 HydrophobicContact CB-CD2 3.46Å; C223-Y256 VanDerWaalsContact CB-CD2 3.46Å; C223-Y256 HydrophobicContact CB-CE1 4.21Å; C223-Y256 HydrophobicContact CB-CE2 3.44Å; C223-Y256 VanDerWaalsContact CB-CE2 3.44Å; C223-Y256 HydrophobicContact CB-CG 3.86Å
224N98.1Very high96.9Very high84 Ų8451.7 Ų51.745%0.44925%0.254SS..Hα-helixtrans-62.8-42.2177.1-69.5-18.7000111.5A220 F222 V226 H227 D228A220-N224 VanDerWaalsContact O-CB 3.31Å; A220-N224 WeakPolarHBondContact O-CB 3.37Å; A220-N224 PolarHBondContact O-N 2.77Å; A220-N224 PolarHBondContact O-ND2 2.84Å; F222-N224 VanDerWaalsContact C-N 3.35Å; F222-N224 PolarHBondContact O-N 2.9Å; N224-V226 VanDerWaalsContact C-N 3.35Å; N224-V226 PolarHBondContact O-N 2.93Å; N224-H227 PolarHBondContact O-N 2.8Å; N224-D228 WeakPolarHBondContact O-CB 3.47Å; N224-D228 VanDerWaalsContact O-CG 3.27Å; N224-D228 PolarHBondContact O-N 2.87Å
225T98.4Very high97.2Very high20 Ų2047.5 Ų47.512%0.12323%0.234CC..Hα-helixtrans-61.6-44.3177.3-53.20000111.1R221 F222 C223 D228 I229 I353 D389R221-T225 WeakPolarHBondContact O-CB 3.37Å; R221-T225 PolarHBondContact O-N 3.49Å; R221-T225 PolarHBondContact O-OG1 3.46Å; F222-T225 PolarHBondContact O-N 3Å; C223-T225 PolarHBondContact O-N 3.11Å; T225-D228 PolarHBondContact O-N 3.23Å; T225-I229 HydrophobicContact CG2-CD1 4.28Å; T225-I229 WeakPolarHBondContact O-CD1 3.31Å; T225-I229 VanDerWaalsContact O-CG1 3.26Å; T225-I229 WeakPolarHBondContact O-CG1 3.33Å; T225-I229 PolarHBondContact O-N 3.16Å; T225-I353 HydrophobicContact CG2-CD1 3.78Å; T225-I353 HydrophobicContact CG2-CG1 3.94Å; T225-D389 HydrophobicContact CG2-CB 3.98Å
226V98.4Very high97.5Very high1 Ų144.2 Ų44.21%0.00622%0.222CC..Hα-helixtrans-61.2-46.8175.2174.20000111.1F222 C223 N224 D228 I229 V230 I238 L253 W257 V324 I353F222-V226 HydrophobicContact CE1-CG2 4.49Å; F222-V226 HydrophobicContact CE2-CG2 4.19Å; F222-V226 HydrophobicContact CZ-CG2 4.15Å; F222-V226 WeakPolarHBondContact O-CG2 3.35Å; F222-V226 PolarHBondContact O-N 3.2Å; C223-V226 PolarHBondContact O-N 2.9Å; N224-V226 VanDerWaalsContact C-N 3.35Å; N224-V226 PolarHBondContact O-N 2.93Å; V226-D228 PolarHBondContact O-N 3.05Å; V226-I229 PolarHBondContact O-N 2.7Å; V226-V230 PolarHBondContact O-N 3.34Å; V226-I238 HydrophobicContact CG2-CD1 4.29Å; V226-L253 HydrophobicContact CG1-CD2 4.16Å; V226-L253 HydrophobicContact CG2-CD2 4.25Å; V226-W257 HydrophobicContact CG1-CH2 3.65Å; V226-W257 HydrophobicContact CG1-CZ3 4.01Å; V226-V324 HydrophobicContact CG1-CG1 4.39Å; V226-V324 HydrophobicContact CG1-CG2 3.67Å; V226-I353 HydrophobicContact CB-CD1 4.46Å; V226-I353 HydrophobicContact CG2-CD1 3.41Å; V226-I353 VanDerWaalsContact CG2-CD1 3.41Å
227H98.4Very high97.7Very high26 Ų2638.7 Ų38.712%0.1220%0.196CC..Hα-helixtrans-61.2-44179.8-164160.8000111.3C223 N224 I229 V230 N231 Y256 E262C223-H227 WeakPolarHBondContact O-CB 3.2Å; C223-H227 PolarHBondContact O-N 2.84Å; N224-H227 PolarHBondContact O-N 2.8Å; H227-I229 VanDerWaalsContact C-N 3.32Å; H227-I229 PolarHBondContact O-N 2.91Å; H227-V230 VanDerWaalsContact O-CG2 3.22Å; H227-V230 WeakPolarHBondContact O-CG2 3.26Å; H227-V230 PolarHBondContact O-N 3.07Å; H227-N231 VanDerWaalsContact CD2-CG 3.46Å; H227-N231 PolarHBondContact CD2-ND2 3.23Å; H227-N231 PolarHBondContact NE2-ND2 3.38Å; H227-N231 VanDerWaalsContact NE2-ND2 3.11Å; H227-N231 WeakPolarHBondContact O-CB 3.33Å; H227-N231 PolarHBondContact O-N 2.68Å; H227-Y256 HydrophobicContact CB-CE1 4.32Å; H227-Y256 AromaticContact ND1-CE1 3.88Å; H227-Y256 AromaticContact ND1-CZ 3.87Å; H227-Y256 PolarHBondContact ND1-OH 2.83Å; H227-E262 IonicContact CE1-OE1 3.48Å
228D98.5Very high97.8Very high95 Ų9533.8 Ų33.851%0.50817%0.173SC..Hα-helixtrans-62.9-37.1179.1-74-19.7000112.6N224 T225 V226 R232N224-D228 WeakPolarHBondContact O-CB 3.47Å; N224-D228 VanDerWaalsContact O-CG 3.27Å; N224-D228 PolarHBondContact O-N 2.87Å; T225-D228 PolarHBondContact O-N 3.23Å; V226-D228 PolarHBondContact O-N 3.05Å; D228-R232 WeakPolarHBondContact O-CG 3.37Å; D228-R232 PolarHBondContact O-N 2.67Å
229I98.6Very high97.8Very high1 Ų132.7 Ų32.71%0.00517%0.17CC..Hα-helixtrans-64.9-45.7176.3-66.4161.5000111T225 V226 H227 R232 G234 R235 I353T225-I229 HydrophobicContact CG2-CD1 4.28Å; T225-I229 WeakPolarHBondContact O-CD1 3.31Å; T225-I229 VanDerWaalsContact O-CG1 3.26Å; T225-I229 WeakPolarHBondContact O-CG1 3.33Å; T225-I229 PolarHBondContact O-N 3.16Å; V226-I229 PolarHBondContact O-N 2.7Å; H227-I229 VanDerWaalsContact C-N 3.32Å; H227-I229 PolarHBondContact O-N 2.91Å; I229-R232 VanDerWaalsContact O-CG 3.26Å; I229-R232 WeakPolarHBondContact O-CG 3.25Å; I229-G234 WeakPolarHBondContact O-CA 3.44Å; I229-G234 PolarHBondContact O-N 3.32Å; I229-R235 WeakPolarHBondContact CG2-O 3.43Å; I229-I353 HydrophobicContact CD1-CD1 4.05Å; I229-I353 HydrophobicContact CD1-CG1 4.19Å
230V97.9Very high97.6Very high4 Ų432.3 Ų32.32%0.02417%0.169CC..Hα-helixtrans-74.8-32.7-178.3-59.70000111.9V226 H227 R232 G233 L263 I266 P322 V324V226-V230 PolarHBondContact O-N 3.34Å; H227-V230 VanDerWaalsContact O-CG2 3.22Å; H227-V230 WeakPolarHBondContact O-CG2 3.26Å; H227-V230 PolarHBondContact O-N 3.07Å; V230-R232 VanDerWaalsContact C-N 3.33Å; V230-R232 PolarHBondContact O-N 3.01Å; V230-G233 WeakPolarHBondContact O-CA 3.39Å; V230-G233 PolarHBondContact O-N 3.47Å; V230-L263 HydrophobicContact CG2-CD2 4.06Å; V230-I266 HydrophobicContact CB-CD1 4.05Å; V230-I266 HydrophobicContact CB-CG2 4.25Å; V230-I266 HydrophobicContact CG1-CG2 4.04Å; V230-I266 HydrophobicContact CG2-CD1 4.03Å; V230-P322 HydrophobicContact CB-CB 4.06Å; V230-P322 HydrophobicContact CG1-CB 4.38Å; V230-V324 HydrophobicContact CG1-CG2 3.78Å
231N97.7Very high96.9Very high107 Ų10732.9 Ų32.957%0.57216%0.163SC*.Hα-helixtrans-62.8-35.9175.4-89.9-18000113H227 G233H227-N231 VanDerWaalsContact CD2-CG 3.46Å; H227-N231 PolarHBondContact CD2-ND2 3.23Å; H227-N231 PolarHBondContact NE2-ND2 3.38Å; H227-N231 VanDerWaalsContact NE2-ND2 3.11Å; H227-N231 WeakPolarHBondContact O-CB 3.33Å; H227-N231 PolarHBondContact O-N 2.68Å; N231-G233 PolarHBondContact O-N 2.81Å
232R97.8Very high96Very high99 Ų9928.3 Ų28.337%0.37415%0.147SC..THydrogen-bonded Turntrans-81.49.3173.570.1-167.6-175.9-146.88.6113.6D228 I229 V230 G234 R349 N350 S387D228-R232 WeakPolarHBondContact O-CG 3.37Å; D228-R232 PolarHBondContact O-N 2.67Å; I229-R232 VanDerWaalsContact O-CG 3.26Å; I229-R232 WeakPolarHBondContact O-CG 3.25Å; V230-R232 VanDerWaalsContact C-N 3.33Å; V230-R232 PolarHBondContact O-N 3.01Å; R232-G234 VanDerWaalsContact C-N 3.35Å; R232-R349 HydrophobicContact CG-CB 4.48Å; R232-R349 PolarHBondContact NE-O 3.26Å; R232-R349 PolarHBondContact NH2-O 3.09Å; R232-N350 PolarHBondContact NH2-O 3.39Å; R232-S387 PolarHBondContact NH2-OG 3.07Å
233G97.2Very high95.1Very high27 Ų2728.5 Ų28.528%0.27815%0.148SC..THydrogen-bonded Turntrans70.927.1177.600000113.9V230 N231V230-G233 WeakPolarHBondContact O-CA 3.39Å; V230-G233 PolarHBondContact O-N 3.47Å; N231-G233 PolarHBondContact O-N 2.81Å
234G97.8Very high94.3Very high0 Ų028.3 Ų28.30%015%0.146CC..  trans-97.6173.617700000113.5I229 R232 P322 R349I229-G234 WeakPolarHBondContact O-CA 3.44Å; I229-G234 PolarHBondContact O-N 3.32Å; R232-G234 VanDerWaalsContact C-N 3.35Å; G234-P322 WeakPolarHBondContact O-CA 3.04Å; G234-P322 WeakPolarHBondContact O-CB 3.4Å; G234-R349 WeakPolarHBondContact CA-O 3.33Å
235R98.3Very high93.8Very high43 Ų4325.3 Ų25.316%0.16213%0.128CC..EExtended strand (participates in β ladder)trans-97.6133.9169-57.592.6171.8173.8-4.7110.7I229 D319 S323 W344 N350 G351I229-R235 WeakPolarHBondContact CG2-O 3.43Å; R235-D319 IonicContact CZ-OD1 2.73Å; R235-D319 VanDerWaalsContact CZ-OD1 3.28Å; R235-D319 IonicContact CZ-OD2 3.28Å; R235-D319 IonicContact NE-OD1 3.72Å; R235-D319 PolarHBondContact NE-OD1 2.87Å; R235-D319 IonicContact NE-OD2 3.26Å; R235-D319 PolarHBondContact NE-OD2 3.39Å; R235-D319 VanDerWaalsContact NH2-CG 3.33Å; R235-D319 PolarHBondContact NH2-O 3.07Å; R235-D319 IonicContact NH2-OD1 3.65Å; R235-D319 PolarHBondContact NH2-OD1 3.3Å; R235-D319 IonicContact NH2-OD2 2.99Å; R235-D319 PolarHBondContact NH2-OD2 2.73Å; R235-S323 CarbonylContact C-O 3.6Å; R235-S323 WeakPolarHBondContact CA-O 3.41Å; R235-W344 HydrophobicContact CB-CD2 3.77Å; R235-W344 HydrophobicContact CB-CE3 3.72Å; R235-W344 HydrophobicContact CB-CH2 3.69Å; R235-W344 HydrophobicContact CB-CZ2 3.75Å; R235-W344 HydrophobicContact CB-CZ3 3.68Å; R235-W344 HydrophobicContact CG-CD2 4.23Å; R235-W344 HydrophobicContact CG-CH2 4.17Å; R235-W344 HydrophobicContact CG-CZ2 3.75Å; R235-N350 VanDerWaalsContact CD-OD1 3.23Å; R235-N350 WeakPolarHBondContact CD-OD1 3.48Å; R235-N350 PolarHBondContact N-OD1 3.42Å; R235-N350 WeakPolarHBondContact O-CA 3.33Å; R235-G351 PolarHBondContact O-N 3.41Å
236G98.1Very high93.4Very high1 Ų124.4 Ų24.41%0.0112%0.123CC..EExtended strand (participates in β ladder)trans-95.1112.817300000110.8S323 V324 V325 G351G236-S323 PolarHBondContact N-O 3.28Å; G236-V324 CarbonylContact O-C 3.59Å; G236-V324 WeakPolarHBondContact O-CA 3.34Å; G236-V325 PolarHBondContact O-N 2.77Å; G236-G351 WeakPolarHBondContact CA-O 3.37Å
237L98.3Very high93.1Very high0 Ų024.3 Ų24.30%012%0.122CC..EExtended strand (participates in β ladder)trans-93.8127.3171.8-176.960.8000110.1A327 M332 L340 F341 W344 G351 V352 I353L237-A327 HydrophobicContact CD1-CB 4.45Å; L237-M332 HydrophobicContact CD2-CE 4.34Å; L237-L340 HydrophobicContact CD1-CB 3.93Å; L237-L340 HydrophobicContact CD1-CD1 3.96Å; L237-L340 HydrophobicContact CD2-CB 4.37Å; L237-F341 HydrophobicContact CD2-CB 3.68Å; L237-F341 HydrophobicContact CD2-CD2 4.38Å; L237-W344 HydrophobicContact CB-CE3 3.86Å; L237-W344 HydrophobicContact CB-CZ3 3.75Å; L237-W344 HydrophobicContact CD1-CZ3 4.09Å; L237-W344 HydrophobicContact CG-CZ3 4.43Å; L237-G351 PolarHBondContact N-O 3.29Å; L237-V352 HydrophobicContact CB-CB 4.32Å; L237-V352 HydrophobicContact CB-CG2 4.2Å; L237-V352 HydrophobicContact CD2-CG2 4.16Å; L237-V352 HydrophobicContact CG-CG2 4.22Å; L237-V352 CarbonylContact O-C 3.59Å; L237-V352 VanDerWaalsContact O-CA 3.3Å; L237-V352 WeakPolarHBondContact O-CA 3.46Å; L237-I353 PolarHBondContact O-N 3.26Å
238I97.9Very high92.9Very high0 Ų023.3 Ų23.30%012%0.118CC..EExtended strand (participates in β ladder)trans-122.791.5174.4-56.2166.3000107.5F222 V226 V240 L249 L253 V324 V325 M326 A327 I353F222-I238 HydrophobicContact CE2-CD1 4.09Å; F222-I238 HydrophobicContact CZ-CD1 3.87Å; V226-I238 HydrophobicContact CG2-CD1 4.29Å; I238-V240 PolarHBondContact O-N 2.93Å; I238-L249 HydrophobicContact CG2-CD1 3.98Å; I238-L253 HydrophobicContact CD1-CD1 4.08Å; I238-V324 HydrophobicContact CD1-CG1 3.71Å; I238-V325 PolarHBondContact N-O 3.19Å; I238-M326 HydrophobicContact CB-CG 3.95Å; I238-M326 HydrophobicContact CD1-CG 4.1Å; I238-M326 HydrophobicContact CG2-CG 4.3Å; I238-M326 VanDerWaalsContact O-CA 3.32Å; I238-M326 WeakPolarHBondContact O-CA 3.49Å; I238-A327 PolarHBondContact O-N 2.78Å; I238-I353 HydrophobicContact CG1-CB 4.34Å
239P95.1Very high92.7Very high4 Ų418.8 Ų18.83%0.0269%0.094CC..EExtended strand (participates in β ladder)trans-72.1121.5179.931-34.3000109.5A327 M332 V352 I353 I354P239-A327 WeakPolarHBondContact CA-O 3.44Å; P239-M332 HydrophobicContact CB-CG 3.57Å; P239-M332 HydrophobicContact CB-SD 3.9Å; P239-M332 HydrophobicContact CG-CG 4.01Å; P239-M332 HydrophobicContact CG-SD 3.67Å; P239-V352 HydrophobicContact CG-CG2 4.09Å; P239-I353 WeakPolarHBondContact CD-O 3.34Å; P239-I354 HydrophobicContact CG-CD1 3.37Å
240V91Very high92.6Very high14 Ų1418.8 Ų18.89%0.0859%0.093CC..  trans-155.8147.6-178.562.30000110.3I238 A246 M326 A327 S328I238-V240 PolarHBondContact O-N 2.93Å; V240-A246 HydrophobicContact CB-CB 4.46Å; V240-A246 HydrophobicContact CG1-CB 3.83Å; V240-A246 HydrophobicContact CG2-CB 3.77Å; V240-M326 HydrophobicContact CG1-CB 4.26Å; V240-M326 HydrophobicContact CG1-CE 3.7Å; V240-A327 PolarHBondContact N-O 2.78Å; V240-A327 CarbonylContact O-C 3.55Å; V240-A327 VanDerWaalsContact O-O 3.05Å; V240-S328 VanDerWaalsContact O-CA 3.23Å; V240-S328 WeakPolarHBondContact O-CA 3.3Å; V240-S328 PolarHBondContact O-N 3.14Å
241F82.4Confident92.4Very high59 Ų5919.3 Ų19.326%0.25910%0.096SC..  trans-63.7150.2171.3-76-73.1000111.6L74 L243 A246 P329L74-F241 HydrophobicContact CD1-CE1 3.86Å; L74-F241 HydrophobicContact CD1-CZ 3.84Å; F241-L243 PolarHBondContact O-N 3Å; F241-L243 VanDerWaalsContact O-N 3.08Å; F241-A246 VanDerWaalsContact O-CB 3.25Å; F241-A246 WeakPolarHBondContact O-CB 3.41Å; F241-P329 HydrophobicContact CD1-CB 4.28Å; F241-P329 HydrophobicContact CE1-CB 3.65Å; F241-P329 HydrophobicContact CZ-CB 4.02Å
242A78.9Confident92.4Very high5 Ų514.3 Ų14.34%0.0417%0.069CC..SBendtrans-59.9-23.3-178.300000113.7Q247 Y270 S272A242-Q247 PolarHBondContact O-NE2 2.83Å; A242-Y270 VanDerWaalsContact C-OH 3.24Å; A242-Y270 WeakPolarHBondContact CA-OH 3.46Å; A242-Y270 VanDerWaalsContact CB-OH 3.25Å; A242-Y270 WeakPolarHBondContact CB-OH 3.45Å; A242-Y270 PolarHBondContact O-OH 3.02Å; A242-S272 WeakPolarHBondContact CB-OG 3.39Å
243L80.4Confident92.4Very high4 Ų49.6 Ų9.62%0.0215%0.052CC..SBendtrans-132.1135.4-176.4-73.3151.5000108.9F72 I102 W105 L106 F241 C278 Y282F72-L243 HydrophobicContact CE2-CB 4.19Å; I102-L243 HydrophobicContact CG1-CD2 4.49Å; I102-L243 HydrophobicContact CG2-CB 3.91Å; I102-L243 HydrophobicContact CG2-CD1 3.69Å; I102-L243 HydrophobicContact CG2-CD2 4Å; I102-L243 HydrophobicContact CG2-CG 4.05Å; W105-L243 HydrophobicContact CB-CD1 4.3Å; L106-L243 HydrophobicContact CB-CD1 4.09Å; L106-L243 HydrophobicContact CD1-CB 4.25Å; F241-L243 PolarHBondContact O-N 3Å; F241-L243 VanDerWaalsContact O-N 3.08Å; L243-C278 HydrophobicContact CD1-CB 4.27Å; L243-C278 WeakPolarHBondContact CD1-SG 3.22Å; L243-C278 HydrophobicContact CD2-CB 3.45Å; L243-C278 VanDerWaalsContact CD2-CB 3.45Å; L243-C278 HydrophobicContact CG-CB 3.82Å; L243-C278 WeakPolarHBondContact CG-SG 3.44Å; L243-Y282 HydrophobicContact CD2-CD2 3.88Å; L243-Y282 HydrophobicContact CD2-CE2 3.57Å
244G81.9Confident92.4Very high0 Ų08.8 Ų8.80%04%0.041CC..SBendtrans122.8-117.8-179.200000111.2A246 Q247 Y282G244-A246 VanDerWaalsContact C-N 3.28Å; G244-A246 PolarHBondContact O-N 3.15Å; G244-Q247 PolarHBondContact O-OE1 2.95Å; G244-Q247 VanDerWaalsContact O-OE1 3.09Å; G244-Y282 PolarHBondContact N-OH 3.23Å
245R86.7Confident92.3Very high22 Ų2212.6 Ų12.68%0.0836%0.059CC..THydrogen-bonded Turntrans-72.8-18-177.3-59.3-63.879.6-159.4-10.5114.1H158 D185 H187 Q247 E248 L249 F393H158-R245 PolarHBondContact O-NE 2.79Å; H158-R245 PolarHBondContact O-NH1 2.89Å; H158-R245 PolarHBondContact O-NH2 2.91Å; D185-R245 IonicContact OD2-CZ 2.68Å; D185-R245 IonicContact OD2-NH1 3.77Å; D185-R245 PolarHBondContact OD2-NH1 3.29Å; D185-R245 IonicContact OD2-NH2 3.72Å; D185-R245 PolarHBondContact OD2-NH2 2.92Å; H187-R245 PolarHBondContact CE1-NH2 2.9Å; R245-Q247 PolarHBondContact O-N 2.88Å; R245-E248 WeakPolarHBondContact O-CB 3.33Å; R245-E248 PolarHBondContact O-N 3.44Å; R245-E248 VanDerWaalsContact O-N 3.13Å; R245-L249 PolarHBondContact O-N 3.45Å; R245-F393 WeakPolarHBondContact CD-O 3.4Å; R245-F393 VanDerWaalsContact CG-O 3.31Å; R245-F393 WeakPolarHBondContact CG-O 3.42Å
246A90.3Very high92.3Very high0 Ų012.1 Ų12.10%06%0.057CC..Hα-helixtrans-54.9-40174.600000112V240 F241 G244 E248 L249 L250 M326V240-A246 HydrophobicContact CB-CB 4.46Å; V240-A246 HydrophobicContact CG1-CB 3.83Å; V240-A246 HydrophobicContact CG2-CB 3.77Å; F241-A246 VanDerWaalsContact O-CB 3.25Å; F241-A246 WeakPolarHBondContact O-CB 3.41Å; G244-A246 VanDerWaalsContact C-N 3.28Å; G244-A246 PolarHBondContact O-N 3.15Å; A246-E248 VanDerWaalsContact C-N 3.29Å; A246-E248 PolarHBondContact O-N 3Å; A246-L249 PolarHBondContact O-N 3.3Å; A246-L250 WeakPolarHBondContact O-CB 3.13Å; A246-L250 WeakPolarHBondContact O-CG 3.34Å; A246-L250 PolarHBondContact O-N 3.47Å; A246-M326 HydrophobicContact CB-CE 4.03Å
247Q91.7Very high92.2Very high0 Ų012.1 Ų12.10%06%0.057CC..Hα-helixtrans-63.6-35.2-179-7671.550.800112.7A242 G244 R245 L251 M279 Y282 F303A242-Q247 PolarHBondContact O-NE2 2.83Å; G244-Q247 PolarHBondContact O-OE1 2.95Å; G244-Q247 VanDerWaalsContact O-OE1 3.09Å; R245-Q247 PolarHBondContact O-N 2.88Å; Q247-L251 VanDerWaalsContact O-CG 3.31Å; Q247-L251 WeakPolarHBondContact O-CG 3.32Å; Q247-L251 PolarHBondContact O-N 3.27Å; Q247-M279 HydrophobicContact CG-CE 3.65Å; Q247-Y282 HydrophobicContact CB-CD1 4.22Å; Q247-Y282 HydrophobicContact CB-CE1 3.8Å; Q247-Y282 HydrophobicContact CG-CD1 3.75Å; Q247-Y282 HydrophobicContact CG-CD2 4.23Å; Q247-Y282 HydrophobicContact CG-CE1 3.59Å; Q247-Y282 HydrophobicContact CG-CE2 4.07Å; Q247-Y282 HydrophobicContact CG-CG 4.09Å; Q247-Y282 PolarHBondContact OE1-OH 3.04Å; Q247-F303 HydrophobicContact CB-CE1 4.46Å
248E93.8Very high92.1Very high5 Ų515.8 Ų15.82%0.0237%0.074CC..Hα-helixtrans-67.9-46.3175.1-170.565.2-17900111.3D185 R186 H187 R245 A246 L250 L251 I252D185-E248 WeakPolarHBondContact CB-OE1 3.46Å; R186-E248 VanDerWaalsContact CB-OE1 3.24Å; R186-E248 WeakPolarHBondContact CB-OE1 3.31Å; R186-E248 WeakPolarHBondContact CB-OE2 3.49Å; R186-E248 VanDerWaalsContact CG-OE1 3.23Å; R186-E248 WeakPolarHBondContact CG-OE1 3.27Å; R186-E248 PolarHBondContact N-OE1 3.02Å; R186-E248 PolarHBondContact N-OE2 3.11Å; H187-E248 IonicContact CE1-OE2 3.11Å; H187-E248 PolarHBondContact CE1-OE2 2.98Å; H187-E248 IonicContact CG-OE2 2.73Å; H187-E248 IonicContact ND1-OE2 3.08Å; H187-E248 PolarHBondContact ND1-OE2 3.29Å; R245-E248 WeakPolarHBondContact O-CB 3.33Å; R245-E248 PolarHBondContact O-N 3.44Å; R245-E248 VanDerWaalsContact O-N 3.13Å; A246-E248 VanDerWaalsContact C-N 3.29Å; A246-E248 PolarHBondContact O-N 3Å; E248-L250 VanDerWaalsContact C-N 3.32Å; E248-L250 PolarHBondContact O-N 2.84Å; E248-L251 WeakPolarHBondContact O-CB 3.28Å; E248-L251 PolarHBondContact O-N 3.36Å; E248-I252 HydrophobicContact CG-CD1 4.13Å; E248-I252 WeakPolarHBondContact O-CG1 3.34Å; E248-I252 PolarHBondContact O-N 3.08Å
249L95.7Very high92.1Very high0 Ų020.9 Ų20.90%010%0.101CC..Hα-helixtrans-62.9-38.2178.3-61.3177.5000112F222 I238 R245 A246 I252 L253 M326 A355 F393F222-L249 HydrophobicContact CE1-CD2 4.16Å; F222-L249 HydrophobicContact CE2-CD2 4.09Å; F222-L249 HydrophobicContact CZ-CB 4.42Å; F222-L249 HydrophobicContact CZ-CD2 3.89Å; I238-L249 HydrophobicContact CG2-CD1 3.98Å; R245-L249 PolarHBondContact O-N 3.45Å; A246-L249 PolarHBondContact O-N 3.3Å; L249-I252 HydrophobicContact CD2-CD1 4.42Å; L249-I252 PolarHBondContact O-N 2.83Å; L249-L253 WeakPolarHBondContact O-CB 3.44Å; L249-L253 WeakPolarHBondContact O-CG 3.29Å; L249-L253 PolarHBondContact O-N 3.23Å; L249-M326 HydrophobicContact CB-CE 3.64Å; L249-M326 HydrophobicContact CB-SD 4.45Å; L249-M326 HydrophobicContact CD1-CE 4.14Å; L249-A355 HydrophobicContact CD1-CB 3.79Å; L249-F393 HydrophobicContact CD2-CB 4.27Å; L249-F393 HydrophobicContact CD2-CD1 4.08Å; L249-F393 HydrophobicContact CD2-CD2 3.68Å; L249-F393 HydrophobicContact CD2-CE1 4.31Å; L249-F393 HydrophobicContact CD2-CE2 3.93Å; L249-F393 HydrophobicContact CD2-CG 3.75Å; L249-F393 HydrophobicContact CD2-CZ 4.23Å
250L95.4Very high92.2Very high0 Ų023 Ų230%011%0.111CC..Hα-helixtrans-62.7-41.8174.9-68.6167.2000111.6A246 E248 L253 D254 Y270 F305 I308 M326A246-L250 WeakPolarHBondContact O-CB 3.13Å; A246-L250 WeakPolarHBondContact O-CG 3.34Å; A246-L250 PolarHBondContact O-N 3.47Å; E248-L250 VanDerWaalsContact C-N 3.32Å; E248-L250 PolarHBondContact O-N 2.84Å; L250-L253 PolarHBondContact O-N 3.02Å; L250-D254 WeakPolarHBondContact O-CB 3.44Å; L250-D254 PolarHBondContact O-N 3.2Å; L250-Y270 HydrophobicContact CD1-CD1 4.21Å; L250-Y270 HydrophobicContact CD1-CD2 4.48Å; L250-Y270 HydrophobicContact CD1-CE1 4.41Å; L250-Y270 HydrophobicContact CD1-CG 4.27Å; L250-Y270 HydrophobicContact CD2-CG 4.22Å; L250-F305 HydrophobicContact CB-CE1 3.77Å; L250-F305 HydrophobicContact CB-CE2 3.96Å; L250-F305 HydrophobicContact CB-CZ 3.44Å; L250-F305 VanDerWaalsContact CB-CZ 3.44Å; L250-F305 HydrophobicContact CD1-CE2 3.89Å; L250-F305 HydrophobicContact CD1-CZ 4.07Å; L250-F305 HydrophobicContact CG-CE2 4.41Å; L250-F305 HydrophobicContact CG-CZ 4.32Å; L250-I308 HydrophobicContact CB-CD1 4.03Å; L250-I308 HydrophobicContact CD2-CD1 3.59Å; L250-I308 HydrophobicContact CD2-CG2 3.89Å; L250-I308 HydrophobicContact CG-CD1 4.44Å; L250-I308 WeakPolarHBondContact O-CD1 3.19Å; L250-M326 HydrophobicContact CD2-CE 4.16Å; L250-M326 HydrophobicContact CD2-SD 3.46Å; L250-M326 WeakPolarHBondContact CD2-SD 3.37Å; L250-M326 HydrophobicContact CG-CE 3.99Å; L250-M326 HydrophobicContact CG-SD 3.91Å
251L95.3Very high92.5Very high15 Ų1526.8 Ų26.88%0.07914%0.135CC..Hα-helixtrans-64.3-40.3175.8-71.4169.2000112R186 H187 Q247 E248 E255 P302 F303 F305R186-L251 HydrophobicContact CB-CD1 4.17Å; H187-L251 HydrophobicContact CB-CD1 3.98Å; Q247-L251 VanDerWaalsContact O-CG 3.31Å; Q247-L251 WeakPolarHBondContact O-CG 3.32Å; Q247-L251 PolarHBondContact O-N 3.27Å; E248-L251 WeakPolarHBondContact O-CB 3.28Å; E248-L251 PolarHBondContact O-N 3.36Å; L251-E255 WeakPolarHBondContact O-CB 3.42Å; L251-E255 PolarHBondContact O-N 3.36Å; L251-P302 HydrophobicContact CD2-CB 3.76Å; L251-P302 HydrophobicContact CD2-CG 4.45Å; L251-P302 WeakPolarHBondContact CD2-O 3.43Å; L251-F303 HydrophobicContact CD1-CE1 4.01Å; L251-F303 HydrophobicContact CD1-CZ 4.38Å; L251-F303 HydrophobicContact CD2-CE1 4.49Å; L251-F303 HydrophobicContact CG-CE1 4.43Å; L251-F305 HydrophobicContact CD2-CE1 4.02Å; L251-F305 HydrophobicContact CG-CE1 4.35Å
252I97Very high93.2Very high3 Ų329.2 Ų29.22%0.01515%0.148CC..Hα-helixtrans-64.7-48.7177.2-66160.8000110.3E219 F222 C223 E248 L249 Y256 F393E219-I252 HydrophobicContact CG-CD1 3.89Å; E219-I252 HydrophobicContact CG-CG1 4.22Å; F222-I252 HydrophobicContact CD1-CG2 3.88Å; F222-I252 HydrophobicContact CE1-CG2 4.12Å; C223-I252 WeakPolarHBondContact SG-CG2 3.44Å; E248-I252 HydrophobicContact CG-CD1 4.13Å; E248-I252 WeakPolarHBondContact O-CG1 3.34Å; E248-I252 PolarHBondContact O-N 3.08Å; L249-I252 HydrophobicContact CD2-CD1 4.42Å; L249-I252 PolarHBondContact O-N 2.83Å; I252-Y256 WeakPolarHBondContact O-CB 3.48Å; I252-Y256 PolarHBondContact O-N 3.11Å; I252-F393 HydrophobicContact CD1-CD1 4.32Å; I252-F393 HydrophobicContact CD1-CE1 3.58Å; I252-F393 HydrophobicContact CD1-CZ 4.07Å
253L97.7Very high94.1Very high0 Ų029.1 Ų29.10%015%0.146CC..Hα-helixtrans-66.2-43.7-178.6-71.2173.3000112.5F222 V226 I238 L249 L250 E255 Y256 W257 I268 V324 M326F222-L253 HydrophobicContact CE1-CD1 4.47Å; F222-L253 HydrophobicContact CE1-CD2 3.72Å; F222-L253 HydrophobicContact CE1-CG 3.86Å; F222-L253 HydrophobicContact CZ-CD1 4.3Å; F222-L253 HydrophobicContact CZ-CD2 4.11Å; F222-L253 HydrophobicContact CZ-CG 4.19Å; V226-L253 HydrophobicContact CG1-CD2 4.16Å; V226-L253 HydrophobicContact CG2-CD2 4.25Å; I238-L253 HydrophobicContact CD1-CD1 4.08Å; L249-L253 WeakPolarHBondContact O-CB 3.44Å; L249-L253 WeakPolarHBondContact O-CG 3.29Å; L249-L253 PolarHBondContact O-N 3.23Å; L250-L253 PolarHBondContact O-N 3.02Å; L253-E255 PolarHBondContact O-N 3.19Å; L253-Y256 PolarHBondContact O-N 3.44Å; L253-W257 HydrophobicContact CD2-CE3 4.38Å; L253-W257 HydrophobicContact CD2-CH2 4.48Å; L253-W257 HydrophobicContact CD2-CZ3 3.7Å; L253-W257 PolarHBondContact O-N 2.93Å; L253-I268 HydrophobicContact CB-CD1 4Å; L253-I268 HydrophobicContact CD1-CG2 4.29Å; L253-V324 HydrophobicContact CD1-CG1 4.46Å; L253-M326 HydrophobicContact CD1-SD 3.85Å
254D96.6Very high94.8Very high10 Ų1033.3 Ų33.35%0.05317%0.166CC..Hα-helixtrans-65.1-40179.5-165.270.6000111.2L250 Q258 F305 K306 H307 I308L250-D254 WeakPolarHBondContact O-CB 3.44Å; L250-D254 PolarHBondContact O-N 3.2Å; D254-Q258 WeakPolarHBondContact O-CB 3.41Å; D254-Q258 WeakPolarHBondContact O-CG 3.13Å; D254-Q258 PolarHBondContact O-N 2.86Å; D254-Q258 PolarHBondContact OD2-NE2 2.96Å; D254-F305 HydrophobicContact CB-CD1 3.83Å; D254-K306 PolarHBondContact OD1-N 2.63Å; D254-H307 IonicContact OD1-CD2 3.77Å; D254-H307 IonicContact OD1-CG 3.57Å; D254-H307 PolarHBondContact OD1-N 2.76Å; D254-I308 HydrophobicContact CB-CD1 3.98Å; D254-I308 HydrophobicContact CB-CG1 4.38Å
255E95.8Very high95.5Very high80 Ų8040.8 Ų40.837%0.37421%0.206SC..Hα-helixtrans-65.3-41.4173.4-174.2179101.300111.8R186 L251 L253 Q258 N259R186-E255 IonicContact CZ-OE1 2.77Å; R186-E255 IonicContact CZ-OE2 3.91Å; R186-E255 IonicContact NH1-OE1 3.81Å; R186-E255 PolarHBondContact NH1-OE1 2.52Å; R186-E255 VanDerWaalsContact NH1-OE1 3.11Å; R186-E255 IonicContact NH1-OE2 3.48Å; R186-E255 PolarHBondContact NH1-OE2 3.17Å; R186-E255 IonicContact NH2-OE1 3.84Å; R186-E255 PolarHBondContact NH2-OE1 3.34Å; R186-E255 IonicContact NH2-OE2 3.58Å; L251-E255 WeakPolarHBondContact O-CB 3.42Å; L251-E255 PolarHBondContact O-N 3.36Å; L253-E255 PolarHBondContact O-N 3.19Å; E255-Q258 PolarHBondContact O-N 2.88Å; E255-N259 PolarHBondContact O-N 2.77Å; E255-N259 PolarHBondContact O-ND2 3.25Å
256Y97.9Very high95.9Very high32 Ų3241 Ų4113%0.12521%0.208CC..Hα-helixtrans-63.7-45177.8-167.9-98.8000111.4C223 H227 I252 L253 Q258 N259 H260 L263C223-Y256 HydrophobicContact CB-CD1 4.22Å; C223-Y256 HydrophobicContact CB-CD2 3.46Å; C223-Y256 VanDerWaalsContact CB-CD2 3.46Å; C223-Y256 HydrophobicContact CB-CE1 4.21Å; C223-Y256 HydrophobicContact CB-CE2 3.44Å; C223-Y256 VanDerWaalsContact CB-CE2 3.44Å; C223-Y256 HydrophobicContact CB-CG 3.86Å; H227-Y256 HydrophobicContact CB-CE1 4.32Å; H227-Y256 AromaticContact ND1-CE1 3.88Å; H227-Y256 AromaticContact ND1-CZ 3.87Å; H227-Y256 PolarHBondContact ND1-OH 2.83Å; I252-Y256 WeakPolarHBondContact O-CB 3.48Å; I252-Y256 PolarHBondContact O-N 3.11Å; L253-Y256 PolarHBondContact O-N 3.44Å; Y256-Q258 PolarHBondContact O-N 2.83Å; Y256-N259 PolarHBondContact O-N 2.81Å; Y256-N259 VanDerWaalsContact O-N 3.15Å; Y256-H260 AromaticContact CD1-ND1 3.83Å; Y256-H260 AromaticContact CD2-CE1 3.57Å; Y256-H260 AromaticContact CD2-ND1 3.82Å; Y256-H260 AromaticContact CE1-CE1 3.96Å; Y256-H260 AromaticContact CE1-ND1 3.78Å; Y256-H260 AromaticContact CE2-CE1 3.22Å; Y256-H260 WeakPolarHBondContact CE2-CE1 3.43Å; Y256-H260 AromaticContact CE2-ND1 3.77Å; Y256-H260 AromaticContact CE2-NE2 3.85Å; Y256-H260 AromaticContact CG-ND1 3.87Å; Y256-H260 AromaticContact CZ-CE1 3.44Å; Y256-H260 VanDerWaalsContact CZ-CE1 3.44Å; Y256-H260 AromaticContact CZ-ND1 3.75Å; Y256-H260 AromaticContact CZ-NE2 3.76Å; Y256-H260 PolarHBondContact O-N 3.36Å; Y256-H260 PolarHBondContact O-ND1 3.15Å; Y256-L263 HydrophobicContact CD1-CD1 4.07Å; Y256-L263 HydrophobicContact CE1-CD1 3.75Å
257W97.6Very high96.2Very high2 Ų243 Ų431%0.00822%0.221CC..Hα-helixtrans-63-41.1176.4-102.5-113.2000112.4V226 L253 N259 H260 L263 H264 I266 I268 H307 V324V226-W257 HydrophobicContact CG1-CH2 3.65Å; V226-W257 HydrophobicContact CG1-CZ3 4.01Å; L253-W257 HydrophobicContact CD2-CE3 4.38Å; L253-W257 HydrophobicContact CD2-CH2 4.48Å; L253-W257 HydrophobicContact CD2-CZ3 3.7Å; L253-W257 PolarHBondContact O-N 2.93Å; W257-N259 PolarHBondContact O-N 3.44Å; W257-H260 PolarHBondContact O-N 2.8Å; W257-H260 VanDerWaalsContact O-N 3.13Å; W257-L263 HydrophobicContact CD2-CB 4.34Å; W257-L263 HydrophobicContact CD2-CD1 4.4Å; W257-L263 HydrophobicContact CE3-CD1 4.41Å; W257-L263 HydrophobicContact CG-CB 4.44Å; W257-L263 HydrophobicContact CH2-CD1 4.49Å; W257-L263 HydrophobicContact CZ2-CB 4.45Å; W257-L263 HydrophobicContact CZ2-CD1 4.47Å; W257-L263 HydrophobicContact CZ3-CD1 4.46Å; W257-L263 PolarHBondContact NE1-O 3.24Å; W257-H264 PolarHBondContact O-CE1 2.84Å; W257-I266 PolarHBondContact NE1-O 3.38Å; W257-I268 HydrophobicContact CB-CD1 4.47Å; W257-I268 HydrophobicContact CD2-CD1 3.25Å; W257-I268 HydrophobicContact CD2-CG1 4.01Å; W257-I268 VanDerWaalsContact CE2-CD1 3.41Å; W257-I268 HydrophobicContact CE3-CD1 3.49Å; W257-I268 VanDerWaalsContact CE3-CD1 3.49Å; W257-I268 HydrophobicContact CE3-CG1 4.39Å; W257-I268 HydrophobicContact CG-CD1 3.72Å; W257-I268 HydrophobicContact CH2-CD1 3.98Å; W257-I268 HydrophobicContact CH2-CG1 4.03Å; W257-I268 HydrophobicContact CZ2-CD1 3.78Å; W257-I268 HydrophobicContact CZ2-CG1 3.6Å; W257-I268 HydrophobicContact CZ3-CD1 3.85Å; W257-I268 HydrophobicContact CZ3-CG1 4.4Å; W257-H307 HydrophobicContact CB-CB 3.79Å; W257-H307 HydrophobicContact CG-CB 4.11Å; W257-V324 HydrophobicContact CH2-CG2 3.9Å; W257-V324 HydrophobicContact CZ2-CG2 4.2Å
258Q96Very high96.5Very high77 Ų7743 Ų4336%0.3622%0.221SC..Hα-helixtrans-57-33.2175.5-75.8173.92300112.3D254 E255 Y256 H307D254-Q258 WeakPolarHBondContact O-CB 3.41Å; D254-Q258 WeakPolarHBondContact O-CG 3.13Å; D254-Q258 PolarHBondContact O-N 2.86Å; D254-Q258 PolarHBondContact OD2-NE2 2.96Å; E255-Q258 PolarHBondContact O-N 2.88Å; Y256-Q258 PolarHBondContact O-N 2.83Å; Q258-H307 VanDerWaalsContact CG-NE2 3.31Å; Q258-H307 WeakPolarHBondContact CG-NE2 3.47Å
259N97.5Very high96.5Very high107 Ų10745.2 Ų45.257%0.57223%0.23SC*.Hα-helixtrans-87.1-9.5-178.3-67.4-35.1000114.3E255 Y256 W257E255-N259 PolarHBondContact O-N 2.77Å; E255-N259 PolarHBondContact O-ND2 3.25Å; Y256-N259 PolarHBondContact O-N 2.81Å; Y256-N259 VanDerWaalsContact O-N 3.15Å; W257-N259 PolarHBondContact O-N 3.44Å
260H97.8Very high96.4Very high48 Ų4845.4 Ų45.422%0.22223%0.23CC..  trans-126.885.1-174.6-64.585.9000111Y256 W257 E262 L263 H264Y256-H260 AromaticContact CD1-ND1 3.83Å; Y256-H260 AromaticContact CD2-CE1 3.57Å; Y256-H260 AromaticContact CD2-ND1 3.82Å; Y256-H260 AromaticContact CE1-CE1 3.96Å; Y256-H260 AromaticContact CE1-ND1 3.78Å; Y256-H260 AromaticContact CE2-CE1 3.22Å; Y256-H260 WeakPolarHBondContact CE2-CE1 3.43Å; Y256-H260 AromaticContact CE2-ND1 3.77Å; Y256-H260 AromaticContact CE2-NE2 3.85Å; Y256-H260 AromaticContact CG-ND1 3.87Å; Y256-H260 AromaticContact CZ-CE1 3.44Å; Y256-H260 VanDerWaalsContact CZ-CE1 3.44Å; Y256-H260 AromaticContact CZ-ND1 3.75Å; Y256-H260 AromaticContact CZ-NE2 3.76Å; Y256-H260 PolarHBondContact O-N 3.36Å; Y256-H260 PolarHBondContact O-ND1 3.15Å; W257-H260 PolarHBondContact O-N 2.8Å; W257-H260 VanDerWaalsContact O-N 3.13Å; H260-E262 WeakPolarHBondContact CA-OE2 3.49Å; H260-E262 WeakPolarHBondContact CB-OE1 3.24Å; H260-E262 IonicContact CD2-OE1 3.27Å; H260-E262 PolarHBondContact CD2-OE1 2.95Å; H260-E262 VanDerWaalsContact CD2-OE1 3.29Å; H260-E262 IonicContact CG-OE1 3.23Å; H260-E262 PolarHBondContact O-N 2.83Å; H260-E262 VanDerWaalsContact O-N 3.14Å; H260-L263 HydrophobicContact CB-CD1 3.87Å; H260-L263 HydrophobicContact CB-CG 4.07Å; H260-L263 PolarHBondContact O-N 3.14Å; H260-H264 PolarHBondContact O-ND1 3.35Å; H260-H264 VanDerWaalsContact O-ND1 3.12Å
261P97.3Very high96Very high93 Ų9345.5 Ų45.560%0.60423%0.231SC*.G310 helixtrans-51.4-32.7179.2-29.938000115.2L263 H264P261-L263 PolarHBondContact O-N 3.18Å; P261-H264 VanDerWaalsContact CA-CE1 3.48Å; P261-H264 WeakPolarHBondContact CA-CE1 3.34Å; P261-H264 VanDerWaalsContact CA-ND1 3.3Å; P261-H264 WeakPolarHBondContact CA-ND1 3.32Å; P261-H264 WeakPolarHBondContact O-CB 3.26Å; P261-H264 PolarHBondContact O-N 3.49Å; P261-H264 PolarHBondContact O-ND1 2.65Å
262E96.7Very high95.3Very high111 Ų11145.1 Ų45.152%0.51923%0.229SC..G310 helixtrans-65.5-19.4179.171-80-167.400114H227 H260H227-E262 IonicContact CE1-OE1 3.48Å; H260-E262 WeakPolarHBondContact CA-OE2 3.49Å; H260-E262 WeakPolarHBondContact CB-OE1 3.24Å; H260-E262 IonicContact CD2-OE1 3.27Å; H260-E262 PolarHBondContact CD2-OE1 2.95Å; H260-E262 VanDerWaalsContact CD2-OE1 3.29Å; H260-E262 IonicContact CG-OE1 3.23Å; H260-E262 PolarHBondContact O-N 2.83Å; H260-E262 VanDerWaalsContact O-N 3.14Å
263L97.2Very high94.3Very high2 Ų248.5 Ų48.51%0.0125%0.254CS..G310 helixtrans-93.1-2.9178.7-59.7-180000113.2V230 Y256 W257 H260 P261 D265 I266V230-L263 HydrophobicContact CG2-CD2 4.06Å; Y256-L263 HydrophobicContact CD1-CD1 4.07Å; Y256-L263 HydrophobicContact CE1-CD1 3.75Å; W257-L263 HydrophobicContact CD2-CB 4.34Å; W257-L263 HydrophobicContact CD2-CD1 4.4Å; W257-L263 HydrophobicContact CE3-CD1 4.41Å; W257-L263 HydrophobicContact CG-CB 4.44Å; W257-L263 HydrophobicContact CH2-CD1 4.49Å; W257-L263 HydrophobicContact CZ2-CB 4.45Å; W257-L263 HydrophobicContact CZ2-CD1 4.47Å; W257-L263 HydrophobicContact CZ3-CD1 4.46Å; W257-L263 PolarHBondContact NE1-O 3.24Å; H260-L263 HydrophobicContact CB-CD1 3.87Å; H260-L263 HydrophobicContact CB-CG 4.07Å; H260-L263 PolarHBondContact O-N 3.14Å; P261-L263 PolarHBondContact O-N 3.18Å; L263-D265 PolarHBondContact O-N 2.9Å; L263-I266 HydrophobicContact CD2-CD1 3.93Å; L263-I266 WeakPolarHBondContact O-CB 3.42Å; L263-I266 PolarHBondContact O-N 3.47Å
264H95.9Very high93.2Very high93 Ų9348.8 Ų48.843%0.43126%0.255SS..THydrogen-bonded Turntrans-65.2-24.2-172.1-77.341.8000114.2W257 H260 P261 I266 H307W257-H264 PolarHBondContact O-CE1 2.84Å; H260-H264 PolarHBondContact O-ND1 3.35Å; H260-H264 VanDerWaalsContact O-ND1 3.12Å; P261-H264 VanDerWaalsContact CA-CE1 3.48Å; P261-H264 WeakPolarHBondContact CA-CE1 3.34Å; P261-H264 VanDerWaalsContact CA-ND1 3.3Å; P261-H264 WeakPolarHBondContact CA-ND1 3.32Å; P261-H264 WeakPolarHBondContact O-CB 3.26Å; P261-H264 PolarHBondContact O-N 3.49Å; P261-H264 PolarHBondContact O-ND1 2.65Å; H264-I266 VanDerWaalsContact C-N 3.27Å; H264-H307 AromaticContact CD2-CE1 3.8Å; H264-H307 AromaticContact CE1-CE1 3.9Å; H264-H307 AromaticContact NE2-CE1 3.47Å; H264-H307 PolarHBondContact NE2-CE1 3.41Å
265D94.9Very high92.2Very high157 Ų15748.3 Ų48.384%0.8425%0.253SS*.THydrogen-bonded Turntrans-80-11.6175.8-64.7-30.2000112.5L263L263-D265 PolarHBondContact O-N 2.9Å
266I96.8Very high91.4Very high25 Ų2552.6 Ų52.613%0.12827%0.27CS..SBendtrans-99.1114.4-175.7-57.4173.1000108.8V230 W257 L263 H264 P322V230-I266 HydrophobicContact CB-CD1 4.05Å; V230-I266 HydrophobicContact CB-CG2 4.25Å; V230-I266 HydrophobicContact CG1-CG2 4.04Å; V230-I266 HydrophobicContact CG2-CD1 4.03Å; W257-I266 PolarHBondContact NE1-O 3.38Å; L263-I266 HydrophobicContact CD2-CD1 3.93Å; L263-I266 WeakPolarHBondContact O-CB 3.42Å; L263-I266 PolarHBondContact O-N 3.47Å; H264-I266 VanDerWaalsContact C-N 3.27Å; I266-P322 HydrophobicContact CD1-CG 4.22Å; I266-P322 HydrophobicContact CG1-CG 4.13Å; I266-P322 HydrophobicContact CG2-CB 4.33Å; I266-P322 HydrophobicContact CG2-CG 4.48Å
267P95.9Very high90.7Very high42 Ų4256 Ų5627%0.27329%0.285SS..  trans-77.3142.3-174.431.2-36.2000112.5Y269 V324P267-Y269 HydrophobicContact CB-CD2 4.27Å; P267-Y269 HydrophobicContact CB-CE1 4.37Å; P267-Y269 HydrophobicContact CB-CE2 3.5Å; P267-Y269 HydrophobicContact CG-CD2 4.39Å; P267-Y269 HydrophobicContact CG-CE2 3.42Å; P267-Y269 VanDerWaalsContact CG-CE2 3.42Å; P267-V324 PolarHBondContact O-N 2.92Å
268I96.9Very high89.7Confident0 Ų055.9 Ų55.90%029%0.285CS..EExtended strand (participates in β ladder)trans-104.3124.1164.5-54.1164.4000108.6L253 W257 I308 S309 V324L253-I268 HydrophobicContact CB-CD1 4Å; L253-I268 HydrophobicContact CD1-CG2 4.29Å; W257-I268 HydrophobicContact CB-CD1 4.47Å; W257-I268 HydrophobicContact CD2-CD1 3.25Å; W257-I268 HydrophobicContact CD2-CG1 4.01Å; W257-I268 VanDerWaalsContact CE2-CD1 3.41Å; W257-I268 HydrophobicContact CE3-CD1 3.49Å; W257-I268 VanDerWaalsContact CE3-CD1 3.49Å; W257-I268 HydrophobicContact CE3-CG1 4.39Å; W257-I268 HydrophobicContact CG-CD1 3.72Å; W257-I268 HydrophobicContact CH2-CD1 3.98Å; W257-I268 HydrophobicContact CH2-CG1 4.03Å; W257-I268 HydrophobicContact CZ2-CD1 3.78Å; W257-I268 HydrophobicContact CZ2-CG1 3.6Å; W257-I268 HydrophobicContact CZ3-CD1 3.85Å; W257-I268 HydrophobicContact CZ3-CG1 4.4Å; I268-I308 HydrophobicContact CB-CG1 4.12Å; I268-I308 HydrophobicContact CD1-CG1 4.17Å; I268-I308 HydrophobicContact CG2-CD1 4.46Å; I268-I308 HydrophobicContact CG2-CG1 4.08Å; I268-I308 HydrophobicContact CG2-CG2 4.14Å; I268-I308 WeakPolarHBondContact O-CA 2.82Å; I268-S309 PolarHBondContact O-N 2.91Å; I268-V324 CarbonylContact C-O 3.38Å; I268-V324 WeakPolarHBondContact CA-O 3.45Å; I268-V324 HydrophobicContact CG1-CB 4.28Å; I268-V324 HydrophobicContact CG2-CB 4.33Å; I268-V324 HydrophobicContact CG2-CG1 4.36Å
269Y94.9Very high89Confident53 Ų5353 Ų5321%0.20827%0.272CS..EExtended strand (participates in β ladder)trans-108.5128.6176.5-60.7-77.6000111.3P267 S309 L311 F317 V324 V325 M326P267-Y269 HydrophobicContact CB-CD2 4.27Å; P267-Y269 HydrophobicContact CB-CE1 4.37Å; P267-Y269 HydrophobicContact CB-CE2 3.5Å; P267-Y269 HydrophobicContact CG-CD2 4.39Å; P267-Y269 HydrophobicContact CG-CE2 3.42Å; P267-Y269 VanDerWaalsContact CG-CE2 3.42Å; Y269-S309 CarbonylContact C-O 3.59Å; Y269-S309 WeakPolarHBondContact CA-O 3.48Å; Y269-L311 HydrophobicContact CD1-CB 4.2Å; Y269-L311 HydrophobicContact CG-CB 4.48Å; Y269-F317 HydrophobicContact CD2-CD2 4.13Å; Y269-F317 AromaticContact CD2-CE2 3.72Å; Y269-F317 HydrophobicContact CD2-CE2 3.72Å; Y269-F317 AromaticContact CE2-CD2 3.91Å; Y269-F317 HydrophobicContact CE2-CD2 3.91Å; Y269-F317 AromaticContact CE2-CE2 3.48Å; Y269-F317 HydrophobicContact CE2-CE2 3.48Å; Y269-F317 VanDerWaalsContact CE2-CE2 3.48Å; Y269-V324 PolarHBondContact N-O 2.89Å; Y269-V325 HydrophobicContact CD2-CG2 4.04Å; Y269-V325 WeakPolarHBondContact O-CA 3.28Å; Y269-M326 PolarHBondContact O-N 3.48Å
270Y92.6Very high88.5Confident4 Ų450.2 Ų50.22%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-97.499.8164.5178.3-138.8000109.1A242 L250 S272 A275 M279 S309 N310 L311 M326A242-Y270 VanDerWaalsContact C-OH 3.24Å; A242-Y270 WeakPolarHBondContact CA-OH 3.46Å; A242-Y270 VanDerWaalsContact CB-OH 3.25Å; A242-Y270 WeakPolarHBondContact CB-OH 3.45Å; A242-Y270 PolarHBondContact O-OH 3.02Å; L250-Y270 HydrophobicContact CD1-CD1 4.21Å; L250-Y270 HydrophobicContact CD1-CD2 4.48Å; L250-Y270 HydrophobicContact CD1-CE1 4.41Å; L250-Y270 HydrophobicContact CD1-CG 4.27Å; L250-Y270 HydrophobicContact CD2-CG 4.22Å; Y270-S272 PolarHBondContact O-N 3.37Å; Y270-A275 HydrophobicContact CD1-CB 3.46Å; Y270-A275 VanDerWaalsContact CD1-CB 3.46Å; Y270-A275 VanDerWaalsContact CE1-CA 3.49Å; Y270-A275 HydrophobicContact CE1-CB 3.22Å; Y270-A275 HydrophobicContact CG-CB 4.41Å; Y270-M279 HydrophobicContact CE1-CE 4.42Å; Y270-S309 PolarHBondContact N-O 3.41Å; Y270-N310 WeakPolarHBondContact O-CA 3.33Å; Y270-L311 PolarHBondContact O-N 3.01Å; Y270-M326 HydrophobicContact CD2-CB 4.23Å
271A87.9Confident87.9Confident1 Ų148.7 Ų48.71%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-94.888-170.100000111.2L311 V325 M326 A327 L336A271-L311 WeakPolarHBondContact CA-O 3.47Å; A271-L311 HydrophobicContact CB-CB 3.99Å; A271-L311 HydrophobicContact CB-CD2 3.97Å; A271-L311 HydrophobicContact CB-CG 4.34Å; A271-V325 HydrophobicContact CB-CG1 3.75Å; A271-M326 WeakPolarHBondContact CA-O 3.44Å; A271-M326 WeakPolarHBondContact CB-O 3.49Å; A271-M326 PolarHBondContact N-O 3.42Å; A271-A327 HydrophobicContact CB-CB 4.18Å; A271-L336 HydrophobicContact CB-CD2 3.58Å
272S81.4Confident87.3Confident7 Ų744.2 Ų44.25%0.04923%0.228CC..  trans-150.1133.6172.3173.40000110.4A242 Y270 L274 A275 L311A242-S272 WeakPolarHBondContact CB-OG 3.39Å; Y270-S272 PolarHBondContact O-N 3.37Å; S272-L274 PolarHBondContact O-N 3.3Å; S272-L274 VanDerWaalsContact O-N 3.12Å; S272-L274 PolarHBondContact OG-N 2.98Å; S272-A275 VanDerWaalsContact O-CB 3.24Å; S272-A275 WeakPolarHBondContact O-CB 3.28Å; S272-A275 PolarHBondContact O-N 3.44Å; S272-A275 VanDerWaalsContact O-N 3.11Å; S272-L311 PolarHBondContact N-O 3.21Å
273S74.8Confident86.8Confident75 Ų7542.4 Ų42.452%0.52422%0.22SC..THydrogen-bonded Turntrans-60.6-21.3173.874.60000112.8
274L75.1Confident86.4Confident5 Ų547 Ų473%0.02625%0.248CC..THydrogen-bonded Turntrans-101.6-4.7-179.5-68167.4000113.6W105 D109 S272 K276 K277 C278W105-L274 HydrophobicContact CE3-CD2 3.9Å; W105-L274 WeakPolarHBondContact O-CD1 3.14Å; D109-L274 HydrophobicContact CB-CD1 3.44Å; D109-L274 VanDerWaalsContact CB-CD1 3.44Å; S272-L274 PolarHBondContact O-N 3.3Å; S272-L274 VanDerWaalsContact O-N 3.12Å; S272-L274 PolarHBondContact OG-N 2.98Å; L274-K276 VanDerWaalsContact C-N 3.28Å; L274-K276 PolarHBondContact O-N 2.86Å; L274-K277 HydrophobicContact CD2-CD 4.18Å; L274-K277 WeakPolarHBondContact O-CA 3.33Å; L274-K277 PolarHBondContact O-N 3.47Å; L274-C278 PolarHBondContact O-N 2.98Å; L274-C278 PolarHBondContact O-SG 3.25Å
275A74.7Confident86.2Confident1 Ų145.1 Ų45.11%0.00824%0.238CC..Hα-helixtrans-42.5-51.4-175.400000113.7Y270 S272 K277 C278 M279Y270-A275 HydrophobicContact CD1-CB 3.46Å; Y270-A275 VanDerWaalsContact CD1-CB 3.46Å; Y270-A275 VanDerWaalsContact CE1-CA 3.49Å; Y270-A275 HydrophobicContact CE1-CB 3.22Å; Y270-A275 HydrophobicContact CG-CB 4.41Å; S272-A275 VanDerWaalsContact O-CB 3.24Å; S272-A275 WeakPolarHBondContact O-CB 3.28Å; S272-A275 PolarHBondContact O-N 3.44Å; S272-A275 VanDerWaalsContact O-N 3.11Å; A275-K277 PolarHBondContact O-N 3.08Å; A275-C278 WeakPolarHBondContact O-CB 3.44Å; A275-C278 PolarHBondContact O-N 2.97Å; A275-M279 WeakPolarHBondContact O-CG 3.37Å; A275-M279 PolarHBondContact O-N 3.38Å
276K79.6Confident86Confident169 Ų16938.5 Ų38.574%0.73520%0.203SC*.Hα-helixtrans-63.6-39.2-179.4-171.6176.5-179.51770113.1L274 A280L274-K276 VanDerWaalsContact C-N 3.28Å; L274-K276 PolarHBondContact O-N 2.86Å; K276-A280 PolarHBondContact O-N 3.06Å
277K82.8Confident85.6Confident104 Ų10443 Ų4345%0.45223%0.227SC..Hα-helixtrans-72.2-43178.3-68.4-175.1176.4-178.70110.7W105 L274 A275 M279 A280 V281W105-K277 HydrophobicContact CD2-CB 4.41Å; W105-K277 HydrophobicContact CD2-CD 4.05Å; W105-K277 HydrophobicContact CE3-CD 3.7Å; W105-K277 HydrophobicContact CH2-CD 3.65Å; W105-K277 HydrophobicContact CZ2-CD 3.94Å; W105-K277 HydrophobicContact CZ3-CD 3.53Å; L274-K277 HydrophobicContact CD2-CD 4.18Å; L274-K277 WeakPolarHBondContact O-CA 3.33Å; L274-K277 PolarHBondContact O-N 3.47Å; A275-K277 PolarHBondContact O-N 3.08Å; K277-M279 VanDerWaalsContact C-N 3.32Å; K277-M279 PolarHBondContact O-N 2.99Å; K277-A280 PolarHBondContact O-N 2.83Å; K277-V281 WeakPolarHBondContact O-CG2 3.47Å; K277-V281 PolarHBondContact O-N 2.8Å; K277-V281 VanDerWaalsContact O-N 3.13Å
278C77.2Confident85.3Confident0 Ų041.6 Ų41.60%022%0.219CC..Hα-helixtrans-56-45.8176.1-63.30000111.8L243 L274 A275 A280 V281 Y282L243-C278 HydrophobicContact CD1-CB 4.27Å; L243-C278 WeakPolarHBondContact CD1-SG 3.22Å; L243-C278 HydrophobicContact CD2-CB 3.45Å; L243-C278 VanDerWaalsContact CD2-CB 3.45Å; L243-C278 HydrophobicContact CG-CB 3.82Å; L243-C278 WeakPolarHBondContact CG-SG 3.44Å; L274-C278 PolarHBondContact O-N 2.98Å; L274-C278 PolarHBondContact O-SG 3.25Å; A275-C278 WeakPolarHBondContact O-CB 3.44Å; A275-C278 PolarHBondContact O-N 2.97Å; C278-A280 PolarHBondContact O-N 2.9Å; C278-V281 PolarHBondContact O-N 2.96Å; C278-Y282 PolarHBondContact O-N 2.88Å; C278-Y282 VanDerWaalsContact O-N 3.09Å
279M82Confident85.1Confident17 Ų1741.6 Ų41.68%0.08422%0.219CC..Hα-helixtrans-65.7-39.5179.5-69.9-53.996.100112.2Q247 Y270 A275 K277 V281 Y282 Q283 F305Q247-M279 HydrophobicContact CG-CE 3.65Å; Y270-M279 HydrophobicContact CE1-CE 4.42Å; A275-M279 WeakPolarHBondContact O-CG 3.37Å; A275-M279 PolarHBondContact O-N 3.38Å; K277-M279 VanDerWaalsContact C-N 3.32Å; K277-M279 PolarHBondContact O-N 2.99Å; M279-V281 VanDerWaalsContact C-N 3.29Å; M279-V281 PolarHBondContact O-N 2.79Å; M279-Y282 PolarHBondContact O-N 3.46Å; M279-Q283 WeakPolarHBondContact O-CB 3.45Å; M279-Q283 VanDerWaalsContact O-CG 3.28Å; M279-Q283 WeakPolarHBondContact O-CG 3.48Å; M279-Q283 PolarHBondContact O-N 3.41Å; M279-F305 HydrophobicContact SD-CE2 3.89Å
280A85.9Confident85Confident48 Ų4839.1 Ų39.140%0.39721%0.21SC..Hα-helixtrans-62-37.7176.200000112.2K276 K277 C278 Q283 T284K276-A280 PolarHBondContact O-N 3.06Å; K277-A280 PolarHBondContact O-N 2.83Å; C278-A280 PolarHBondContact O-N 2.9Å; A280-Q283 PolarHBondContact O-N 2.95Å; A280-T284 PolarHBondContact O-N 2.84Å; A280-T284 PolarHBondContact O-OG1 2.87Å
281V85.1Confident84.9Confident15 Ų1542.8 Ų42.89%0.09123%0.229CC..Hα-helixtrans-65.5-47.3175.3176.10000110.8A101 I102 K277 C278 M279 Q283 T284 Y285A101-V281 HydrophobicContact CB-CG1 3.92Å; I102-V281 HydrophobicContact CD1-CG1 4.41Å; I102-V281 HydrophobicContact CG1-CG1 3.56Å; K277-V281 WeakPolarHBondContact O-CG2 3.47Å; K277-V281 PolarHBondContact O-N 2.8Å; K277-V281 VanDerWaalsContact O-N 3.13Å; C278-V281 PolarHBondContact O-N 2.96Å; M279-V281 VanDerWaalsContact C-N 3.29Å; M279-V281 PolarHBondContact O-N 2.79Å; V281-Q283 VanDerWaalsContact C-N 3.31Å; V281-Q283 PolarHBondContact O-N 3.28Å; V281-T284 WeakPolarHBondContact O-CB 3.44Å; V281-T284 PolarHBondContact O-N 2.75Å; V281-T284 VanDerWaalsContact O-N 3.08Å; V281-Y285 HydrophobicContact CG1-CD2 3.89Å; V281-Y285 HydrophobicContact CG1-CE2 4Å; V281-Y285 VanDerWaalsContact O-CD2 3.31Å; V281-Y285 WeakPolarHBondContact O-CD2 3.17Å; V281-Y285 PolarHBondContact O-N 2.97Å
282Y84.3Confident85Confident0 Ų048 Ų480%025%0.252CS..Hα-helixtrans-58.1-42.4176.4-96.7-107000112.4I102 L160 H187 L243 G244 Q247 C278 M279 T284 Y285 M289 F303I102-Y282 HydrophobicContact CD1-CE2 4.01Å; L160-Y282 HydrophobicContact CB-CE1 3.89Å; L160-Y282 HydrophobicContact CB-CE2 4.45Å; L160-Y282 HydrophobicContact CD2-CD1 3.7Å; L160-Y282 HydrophobicContact CD2-CD2 4.05Å; L160-Y282 HydrophobicContact CD2-CE1 3.8Å; L160-Y282 HydrophobicContact CD2-CE2 4.15Å; L160-Y282 HydrophobicContact CD2-CG 3.82Å; L160-Y282 HydrophobicContact CG-CE1 4.42Å; H187-Y282 AromaticContact NE2-CE1 3.81Å; L243-Y282 HydrophobicContact CD2-CD2 3.88Å; L243-Y282 HydrophobicContact CD2-CE2 3.57Å; G244-Y282 PolarHBondContact N-OH 3.23Å; Q247-Y282 HydrophobicContact CB-CD1 4.22Å; Q247-Y282 HydrophobicContact CB-CE1 3.8Å; Q247-Y282 HydrophobicContact CG-CD1 3.75Å; Q247-Y282 HydrophobicContact CG-CD2 4.23Å; Q247-Y282 HydrophobicContact CG-CE1 3.59Å; Q247-Y282 HydrophobicContact CG-CE2 4.07Å; Q247-Y282 HydrophobicContact CG-CG 4.09Å; Q247-Y282 PolarHBondContact OE1-OH 3.04Å; C278-Y282 PolarHBondContact O-N 2.88Å; C278-Y282 VanDerWaalsContact O-N 3.09Å; M279-Y282 PolarHBondContact O-N 3.46Å; Y282-T284 VanDerWaalsContact C-N 3.28Å; Y282-T284 PolarHBondContact O-N 2.85Å; Y282-Y285 PolarHBondContact O-N 3.25Å; Y282-M289 HydrophobicContact CD1-CE 3.59Å; Y282-M289 HydrophobicContact CE1-CE 4.39Å; Y282-M289 HydrophobicContact CG-CE 4.3Å; Y282-M289 VanDerWaalsContact O-CE 3.25Å; Y282-M289 WeakPolarHBondContact O-CE 3.33Å; Y282-F303 HydrophobicContact CD1-CE1 4.19Å; Y282-F303 HydrophobicContact CD1-CZ 4.44Å
283Q86.6Confident85.5Confident73 Ų7347.9 Ų47.934%0.34125%0.251SS..Hα-helixtrans-67.1-28.1177.1-70.3176.1-10.600113.2M279 A280 V281 V286 N301 F303M279-Q283 WeakPolarHBondContact O-CB 3.45Å; M279-Q283 VanDerWaalsContact O-CG 3.28Å; M279-Q283 WeakPolarHBondContact O-CG 3.48Å; M279-Q283 PolarHBondContact O-N 3.41Å; A280-Q283 PolarHBondContact O-N 2.95Å; V281-Q283 VanDerWaalsContact C-N 3.31Å; V281-Q283 PolarHBondContact O-N 3.28Å; Q283-V286 VanDerWaalsContact O-CG2 3.3Å; Q283-V286 WeakPolarHBondContact O-CG2 3.19Å; Q283-N301 PolarHBondContact NE2-ND2 3.03Å; Q283-F303 HydrophobicContact CG-CB 4.17Å
284T89.9Confident86.2Confident99 Ų9950 Ų5061%0.60725%0.247SC*.Hα-helixtrans-72.3-37.5177.6-57.40000111.3A280 V281 Y282A280-T284 PolarHBondContact O-N 2.84Å; A280-T284 PolarHBondContact O-OG1 2.87Å; V281-T284 WeakPolarHBondContact O-CB 3.44Å; V281-T284 PolarHBondContact O-N 2.75Å; V281-T284 VanDerWaalsContact O-N 3.08Å; Y282-T284 VanDerWaalsContact C-N 3.28Å; Y282-T284 PolarHBondContact O-N 2.85Å
285Y91.7Very high86.9Confident53 Ų5356.8 Ų56.821%0.20828%0.277CS..THydrogen-bonded Turntrans-100.232.1-175.3-65.5-71.9000113.8H97 A98 A101 V281 Y282 N287 A288H97-Y285 HydrophobicContact CB-CE1 3.72Å; H97-Y285 PolarHBondContact O-OH 3.3Å; A98-Y285 HydrophobicContact CB-CD1 4.15Å; A98-Y285 HydrophobicContact CB-CD2 4.11Å; A98-Y285 HydrophobicContact CB-CG 3.86Å; A101-Y285 HydrophobicContact CB-CD2 4.5Å; A101-Y285 HydrophobicContact CB-CE2 3.47Å; A101-Y285 VanDerWaalsContact CB-CE2 3.47Å; V281-Y285 HydrophobicContact CG1-CD2 3.89Å; V281-Y285 HydrophobicContact CG1-CE2 4Å; V281-Y285 VanDerWaalsContact O-CD2 3.31Å; V281-Y285 WeakPolarHBondContact O-CD2 3.17Å; V281-Y285 PolarHBondContact O-N 2.97Å; Y282-Y285 PolarHBondContact O-N 3.25Å; Y285-N287 WeakPolarHBondContact CA-OD1 3.47Å; Y285-N287 PolarHBondContact O-N 3.01Å; Y285-N287 VanDerWaalsContact O-N 3.12Å; Y285-N287 PolarHBondContact O-OD1 3.04Å; Y285-A288 PolarHBondContact O-N 2.99Å
286V90.1Very high87.5Confident18 Ų1860 Ų6011%0.10929%0.292CS..G310 helixtrans-58-24.4173.5170.30000111.9Q283 A288 M289 I293 R294 I297Q283-V286 VanDerWaalsContact O-CG2 3.3Å; Q283-V286 WeakPolarHBondContact O-CG2 3.19Å; V286-A288 PolarHBondContact O-N 2.84Å; V286-M289 HydrophobicContact CB-SD 4.47Å; V286-M289 HydrophobicContact CG2-SD 4.15Å; V286-M289 WeakPolarHBondContact O-CB 3.24Å; V286-M289 PolarHBondContact O-N 3.16Å; V286-M289 VanDerWaalsContact O-N 3.13Å; V286-I293 HydrophobicContact CG1-CG2 4.26Å; V286-R294 HydrophobicContact CG1-CG 4.27Å; V286-R294 VanDerWaalsContact O-CG 3.26Å; V286-R294 WeakPolarHBondContact O-CG 3.3Å; V286-I297 HydrophobicContact CG1-CB 4.27Å; V286-I297 HydrophobicContact CG1-CD1 4.36Å; V286-I297 HydrophobicContact CG1-CG1 4.21Å; V286-I297 HydrophobicContact CG1-CG2 4.26Å; V286-I297 HydrophobicContact CG2-CD1 3.9Å; V286-I297 HydrophobicContact CG2-CG1 4.35Å
287N88Confident87.9Confident119 Ų11954.1 Ų54.164%0.63627%0.267SS*.G310 helixtrans-63.4-21.8173.866.5-41.7000113.9Y285Y285-N287 WeakPolarHBondContact CA-OD1 3.47Å; Y285-N287 PolarHBondContact O-N 3.01Å; Y285-N287 VanDerWaalsContact O-N 3.12Å; Y285-N287 PolarHBondContact O-OD1 3.04Å
288A89.8Confident87.8Confident13 Ų1356 Ų5611%0.10728%0.283CS..G310 helixtrans-95.46.2176.700000113.3L160 Y285 V286L160-A288 HydrophobicContact CD1-CB 4.04Å; Y285-A288 PolarHBondContact O-N 2.99Å; V286-A288 PolarHBondContact O-N 2.84Å
289M92.6Very high88.2Confident0 Ų063.5 Ų63.50%032%0.321CS..SBendtrans-94.4171176.8-68.3-179.8-175.400111.6L160 H187 Y282 V286 I293 R294 F303L160-M289 HydrophobicContact CD1-CE 4.07Å; L160-M289 HydrophobicContact CD1-CG 3.78Å; L160-M289 HydrophobicContact CD2-CE 3.96Å; H187-M289 CarbonylContact O-C 3.54Å; H187-M289 WeakPolarHBondContact O-CA 3.09Å; H187-M289 WeakPolarHBondContact O-CB 3.42Å; Y282-M289 HydrophobicContact CD1-CE 3.59Å; Y282-M289 HydrophobicContact CE1-CE 4.39Å; Y282-M289 HydrophobicContact CG-CE 4.3Å; Y282-M289 VanDerWaalsContact O-CE 3.25Å; Y282-M289 WeakPolarHBondContact O-CE 3.33Å; V286-M289 HydrophobicContact CB-SD 4.47Å; V286-M289 HydrophobicContact CG2-SD 4.15Å; V286-M289 WeakPolarHBondContact O-CB 3.24Å; V286-M289 PolarHBondContact O-N 3.16Å; V286-M289 VanDerWaalsContact O-N 3.13Å; M289-I293 HydrophobicContact CB-CB 4.27Å; M289-I293 HydrophobicContact CB-CG2 4.28Å; M289-I293 HydrophobicContact SD-CB 4.44Å; M289-I293 HydrophobicContact SD-CG2 3.65Å; M289-R294 VanDerWaalsContact O-CD 3.27Å; M289-R294 WeakPolarHBondContact O-CD 3.27Å; M289-F303 HydrophobicContact CE-CD2 4.48Å; M289-F303 HydrophobicContact CE-CE1 4.4Å; M289-F303 HydrophobicContact CE-CE2 3.54Å; M289-F303 HydrophobicContact CE-CZ 3.48Å; M289-F303 VanDerWaalsContact CE-CZ 3.48Å; M289-F303 HydrophobicContact SD-CE2 3.38Å; M289-F303 WeakPolarHBondContact SD-CE2 3.36Å; M289-F303 HydrophobicContact SD-CZ 3.56Å; M289-F303 VanDerWaalsContact SD-CZ 3.56Å
290N92.5Very high88.4Confident1 Ų166 Ų661%0.00534%0.335CS..  trans-64.7163.8177.970.324.2000113.7E184 D185 R186 H187 M189 K292 I293 R294E184-N290 HydrophobicContact CG-CB 4.35Å; E184-N290 VanDerWaalsContact OE1-CB 3.26Å; E184-N290 WeakPolarHBondContact OE1-CB 3.39Å; D185-N290 PolarHBondContact O-ND2 3.19Å; D185-N290 VanDerWaalsContact O-ND2 3.13Å; R186-N290 PolarHBondContact O-ND2 3.2Å; H187-N290 WeakPolarHBondContact CA-ND2 3.41Å; H187-N290 PolarHBondContact N-ND2 3.4Å; H187-N290 PolarHBondContact O-N 3.33Å; M189-N290 HydrophobicContact CG-CB 3.85Å; N290-K292 PolarHBondContact O-N 3.46Å; N290-K292 WeakPolarHBondContact OD1-CB 3.29Å; N290-K292 PolarHBondContact OD1-N 2.87Å; N290-I293 PolarHBondContact O-N 2.92Å; N290-I293 WeakPolarHBondContact OD1-CG1 3.49Å; N290-I293 PolarHBondContact OD1-N 2.87Å; N290-R294 VanDerWaalsContact O-CG 3.32Å; N290-R294 WeakPolarHBondContact O-CG 3.43Å; N290-R294 PolarHBondContact O-N 3.02Å; N290-R294 VanDerWaalsContact O-N 3.07Å
291D91.3Very high88.4Confident80 Ų8065.6 Ų65.643%0.42833%0.326SS..Hα-helixtrans-63.8-26-178.2-80.2-12.3000113.1R294 K295D291-R294 IonicContact OD1-CZ 3.88Å; D291-R294 IonicContact OD1-NH1 2.79Å; D291-R294 PolarHBondContact OD1-NH1 3.04Å; D291-K295 WeakPolarHBondContact O-CB 3.37Å; D291-K295 WeakPolarHBondContact O-CD 3.25Å; D291-K295 VanDerWaalsContact O-CG 3.22Å; D291-K295 WeakPolarHBondContact O-CG 3.46Å; D291-K295 PolarHBondContact O-N 3.48Å; D291-K295 VanDerWaalsContact O-N 3.12Å
292K90.7Very high88.3Confident111 Ų11165.7 Ų65.748%0.48333%0.327SS..Hα-helixtrans-63.5-53.8176.7-175.4-175.8175.6-172.10110.5N290 K295 Q296N290-K292 PolarHBondContact O-N 3.46Å; N290-K292 WeakPolarHBondContact OD1-CB 3.29Å; N290-K292 PolarHBondContact OD1-N 2.87Å; K292-K295 PolarHBondContact O-N 3.21Å; K292-Q296 WeakPolarHBondContact O-CB 3.44Å; K292-Q296 PolarHBondContact O-N 2.81Å
293I91.2Very high88.5Confident4 Ų465.9 Ų65.92%0.02133%0.328CS..Hα-helixtrans-65.5-43.1178.6-65.6-65.7000111.2R186 H187 V286 M289 N290 K295 Q296 I297 P302 F303R186-I293 WeakPolarHBondContact O-CG1 3.45Å; H187-I293 HydrophobicContact CB-CD1 4.35Å; H187-I293 HydrophobicContact CB-CG1 3.87Å; V286-I293 HydrophobicContact CG1-CG2 4.26Å; M289-I293 HydrophobicContact CB-CB 4.27Å; M289-I293 HydrophobicContact CB-CG2 4.28Å; M289-I293 HydrophobicContact SD-CB 4.44Å; M289-I293 HydrophobicContact SD-CG2 3.65Å; N290-I293 PolarHBondContact O-N 2.92Å; N290-I293 WeakPolarHBondContact OD1-CG1 3.49Å; N290-I293 PolarHBondContact OD1-N 2.87Å; I293-K295 PolarHBondContact O-N 3.47Å; I293-Q296 PolarHBondContact O-N 3.44Å; I293-Q296 VanDerWaalsContact O-N 3.09Å; I293-I297 WeakPolarHBondContact O-CB 3.42Å; I293-I297 PolarHBondContact O-N 2.76Å; I293-P302 HydrophobicContact CD1-CB 4.4Å; I293-P302 HydrophobicContact CD1-CG 3.47Å; I293-P302 VanDerWaalsContact CD1-CG 3.47Å; I293-P302 HydrophobicContact CG2-CG 4.5Å; I293-F303 HydrophobicContact CG2-CE2 4Å
294R89.3Confident88.7Confident120 Ų12066.7 Ų66.745%0.45334%0.337SS..Hα-helixtrans-58.2-32.8179-71.9174.364.5-149.27.9113V286 M289 N290 D291 I297V286-R294 HydrophobicContact CG1-CG 4.27Å; V286-R294 VanDerWaalsContact O-CG 3.26Å; V286-R294 WeakPolarHBondContact O-CG 3.3Å; M289-R294 VanDerWaalsContact O-CD 3.27Å; M289-R294 WeakPolarHBondContact O-CD 3.27Å; N290-R294 VanDerWaalsContact O-CG 3.32Å; N290-R294 WeakPolarHBondContact O-CG 3.43Å; N290-R294 PolarHBondContact O-N 3.02Å; N290-R294 VanDerWaalsContact O-N 3.07Å; D291-R294 IonicContact OD1-CZ 3.88Å; D291-R294 IonicContact OD1-NH1 2.79Å; D291-R294 PolarHBondContact OD1-NH1 3.04Å; R294-I297 WeakPolarHBondContact O-CG2 3.04Å
295K89.6Confident88.7Confident148 Ų14863.6 Ų63.664%0.64332%0.315SS*.Hα-helixtrans-80-40.7174.3-70.3168.4-171.6168.60111.9D291 K292 I293D291-K295 WeakPolarHBondContact O-CB 3.37Å; D291-K295 WeakPolarHBondContact O-CD 3.25Å; D291-K295 VanDerWaalsContact O-CG 3.22Å; D291-K295 WeakPolarHBondContact O-CG 3.46Å; D291-K295 PolarHBondContact O-N 3.48Å; D291-K295 VanDerWaalsContact O-N 3.12Å; K292-K295 PolarHBondContact O-N 3.21Å; I293-K295 PolarHBondContact O-N 3.47Å
296Q88.1Confident88.8Confident69 Ų6967.5 Ų67.532%0.32233%0.333SS..Hα-helixtrans-68.7-32.8-176.5-171.1173.9-3.200112.9K292 I293 N298 I299 N300K292-Q296 WeakPolarHBondContact O-CB 3.44Å; K292-Q296 PolarHBondContact O-N 2.81Å; I293-Q296 PolarHBondContact O-N 3.44Å; I293-Q296 VanDerWaalsContact O-N 3.09Å; Q296-N298 PolarHBondContact O-N 2.81Å; Q296-I299 PolarHBondContact O-N 3.3Å; Q296-N300 CarbonylContact C-O 3.57Å; Q296-N300 PolarHBondContact O-N 2.72Å
297I87.1Confident89Confident44 Ų4468.7 Ų68.723%0.22634%0.338CS..THydrogen-bonded Turntrans-55.4-30.4-175.3-156.278.8000113.7V286 I293 R294 I299 N301V286-I297 HydrophobicContact CG1-CB 4.27Å; V286-I297 HydrophobicContact CG1-CD1 4.36Å; V286-I297 HydrophobicContact CG1-CG1 4.21Å; V286-I297 HydrophobicContact CG1-CG2 4.26Å; V286-I297 HydrophobicContact CG2-CD1 3.9Å; V286-I297 HydrophobicContact CG2-CG1 4.35Å; I293-I297 WeakPolarHBondContact O-CB 3.42Å; I293-I297 PolarHBondContact O-N 2.76Å; R294-I297 WeakPolarHBondContact O-CG2 3.04Å; I297-I299 VanDerWaalsContact C-N 3.29Å; I297-I299 PolarHBondContact O-N 3.26Å; I297-N301 HydrophobicContact CD1-CB 3.89Å; I297-N301 WeakPolarHBondContact CD1-OD1 3.41Å
298N80.1Confident89.3Confident145 Ų14563.8 Ų63.878%0.77531%0.311SS*.THydrogen-bonded Turntrans-74.3-19.1178.9-68.6-34.6000113.2Q296Q296-N298 PolarHBondContact O-N 2.81Å
299I86.9Confident89.4Confident157 Ų15766.4 Ų66.481%0.80533%0.329SS*.THydrogen-bonded Turntrans-102.1-52.9-179-56.2172.1000109.5Q296 I297Q296-I299 PolarHBondContact O-N 3.3Å; I297-I299 VanDerWaalsContact C-N 3.29Å; I297-I299 PolarHBondContact O-N 3.26Å
300N84.9Confident89.3Confident70 Ų7070.9 Ų70.937%0.37435%0.353SS..  trans-150.9128.2-178.8-177.8-70.2000108.6Q296 P302Q296-N300 CarbonylContact C-O 3.57Å; Q296-N300 PolarHBondContact O-N 2.72Å; N300-P302 VanDerWaalsContact O-CD 3.24Å; N300-P302 WeakPolarHBondContact O-CD 3.23Å
301N86.1Confident88.9Confident39 Ų3971.1 Ų71.121%0.20935%0.354CS..  trans-81.9110.2176.5-175.9-18.8000110Q283 I297 F303 V304Q283-N301 PolarHBondContact NE2-ND2 3.03Å; I297-N301 HydrophobicContact CD1-CB 3.89Å; I297-N301 WeakPolarHBondContact CD1-OD1 3.41Å; N301-F303 PolarHBondContact O-N 3.3Å; N301-F303 WeakPolarHBondContact OD1-CB 3.22Å; N301-F303 PolarHBondContact OD1-N 2.9Å; N301-V304 HydrophobicContact CB-CG2 3.93Å; N301-V304 WeakPolarHBondContact O-CB 3.15Å; N301-V304 PolarHBondContact O-N 3.1Å
302P84.4Confident88.1Confident16 Ų1675 Ų7510%0.10437%0.367CS..THydrogen-bonded Turntrans-72.8-10.5-173.931.5-34.5000113.2L251 I293 N300 V304 F305L251-P302 HydrophobicContact CD2-CB 3.76Å; L251-P302 HydrophobicContact CD2-CG 4.45Å; L251-P302 WeakPolarHBondContact CD2-O 3.43Å; I293-P302 HydrophobicContact CD1-CB 4.4Å; I293-P302 HydrophobicContact CD1-CG 3.47Å; I293-P302 VanDerWaalsContact CD1-CG 3.47Å; I293-P302 HydrophobicContact CG2-CG 4.5Å; N300-P302 VanDerWaalsContact O-CD 3.24Å; N300-P302 WeakPolarHBondContact O-CD 3.23Å; P302-V304 VanDerWaalsContact C-N 3.28Å; P302-F305 VanDerWaalsContact O-CE1 3.3Å; P302-F305 WeakPolarHBondContact O-CE1 3.21Å
303F87.6Confident87.3Confident5 Ų571.2 Ų71.22%0.02236%0.355CS..THydrogen-bonded Turntrans-86.72170.8-57.1-74.6000113H187 Q247 L251 Y282 Q283 M289 I293 N301 F305H187-F303 HydrophobicContact CB-CZ 3.92Å; Q247-F303 HydrophobicContact CB-CE1 4.46Å; L251-F303 HydrophobicContact CD1-CE1 4.01Å; L251-F303 HydrophobicContact CD1-CZ 4.38Å; L251-F303 HydrophobicContact CD2-CE1 4.49Å; L251-F303 HydrophobicContact CG-CE1 4.43Å; Y282-F303 HydrophobicContact CD1-CE1 4.19Å; Y282-F303 HydrophobicContact CD1-CZ 4.44Å; Q283-F303 HydrophobicContact CG-CB 4.17Å; M289-F303 HydrophobicContact CE-CD2 4.48Å; M289-F303 HydrophobicContact CE-CE1 4.4Å; M289-F303 HydrophobicContact CE-CE2 3.54Å; M289-F303 HydrophobicContact CE-CZ 3.48Å; M289-F303 VanDerWaalsContact CE-CZ 3.48Å; M289-F303 HydrophobicContact SD-CE2 3.38Å; M289-F303 WeakPolarHBondContact SD-CE2 3.36Å; M289-F303 HydrophobicContact SD-CZ 3.56Å; M289-F303 VanDerWaalsContact SD-CZ 3.56Å; I293-F303 HydrophobicContact CG2-CE2 4Å; N301-F303 PolarHBondContact O-N 3.3Å; N301-F303 WeakPolarHBondContact OD1-CB 3.22Å; N301-F303 PolarHBondContact OD1-N 2.9Å; F303-F305 HydrophobicContact CD1-CZ 4.35Å
304V89.8Confident86.6Confident89 Ų8973.6 Ų73.654%0.53937%0.366SS..SBendtrans-9882.1167.1-176.40000107.4N301 P302N301-V304 HydrophobicContact CB-CG2 3.93Å; N301-V304 WeakPolarHBondContact O-CB 3.15Å; N301-V304 PolarHBondContact O-N 3.1Å; P302-V304 VanDerWaalsContact C-N 3.28Å
305F91.3Very high86Confident35 Ų3574.8 Ų74.815%0.15438%0.382CS..  trans-66143.7-176-53.1-64.8000111.9L250 L251 D254 M279 P302 F303 I308L250-F305 HydrophobicContact CB-CE1 3.77Å; L250-F305 HydrophobicContact CB-CE2 3.96Å; L250-F305 HydrophobicContact CB-CZ 3.44Å; L250-F305 VanDerWaalsContact CB-CZ 3.44Å; L250-F305 HydrophobicContact CD1-CE2 3.89Å; L250-F305 HydrophobicContact CD1-CZ 4.07Å; L250-F305 HydrophobicContact CG-CE2 4.41Å; L250-F305 HydrophobicContact CG-CZ 4.32Å; L251-F305 HydrophobicContact CD2-CE1 4.02Å; L251-F305 HydrophobicContact CG-CE1 4.35Å; D254-F305 HydrophobicContact CB-CD1 3.83Å; M279-F305 HydrophobicContact SD-CE2 3.89Å; P302-F305 VanDerWaalsContact O-CE1 3.3Å; P302-F305 WeakPolarHBondContact O-CE1 3.21Å; F303-F305 HydrophobicContact CD1-CZ 4.35Å; F305-I308 HydrophobicContact CB-CB 3.75Å; F305-I308 HydrophobicContact CB-CD1 4.19Å; F305-I308 HydrophobicContact CB-CG1 4.05Å; F305-I308 HydrophobicContact CD1-CD1 4.07Å; F305-I308 HydrophobicContact CD2-CD1 4.49Å; F305-I308 HydrophobicContact CG-CB 4.23Å; F305-I308 HydrophobicContact CG-CD1 3.99Å; F305-I308 HydrophobicContact CG-CG1 4.38Å
306K92.5Very high85.3Confident134 Ų13474.1 Ų74.158%0.58338%0.381SS*.SBendtrans-97.5-33.1-178.5-64.5178.8-171.5163.40112.4D254D254-K306 PolarHBondContact OD1-N 2.63Å
307H95Very high85Confident43 Ų4371.6 Ų71.620%0.19937%0.369CS..SBendtrans-108.93-174.1-57-81.8000112.8D254 W257 Q258 H264D254-H307 IonicContact OD1-CD2 3.77Å; D254-H307 IonicContact OD1-CG 3.57Å; D254-H307 PolarHBondContact OD1-N 2.76Å; W257-H307 HydrophobicContact CB-CB 3.79Å; W257-H307 HydrophobicContact CG-CB 4.11Å; Q258-H307 VanDerWaalsContact CG-NE2 3.31Å; Q258-H307 WeakPolarHBondContact CG-NE2 3.47Å; H264-H307 AromaticContact CD2-CE1 3.8Å; H264-H307 AromaticContact CE1-CE1 3.9Å; H264-H307 AromaticContact NE2-CE1 3.47Å; H264-H307 PolarHBondContact NE2-CE1 3.41Å
308I94.6Very high84.9Confident16 Ų1675.8 Ų75.88%0.08239%0.391CS..EExtended strand (participates in β ladder)trans-115.2126.7-177.1-51-179.6000110.3L250 D254 I268 F305L250-I308 HydrophobicContact CB-CD1 4.03Å; L250-I308 HydrophobicContact CD2-CD1 3.59Å; L250-I308 HydrophobicContact CD2-CG2 3.89Å; L250-I308 HydrophobicContact CG-CD1 4.44Å; L250-I308 WeakPolarHBondContact O-CD1 3.19Å; D254-I308 HydrophobicContact CB-CD1 3.98Å; D254-I308 HydrophobicContact CB-CG1 4.38Å; I268-I308 HydrophobicContact CB-CG1 4.12Å; I268-I308 HydrophobicContact CD1-CG1 4.17Å; I268-I308 HydrophobicContact CG2-CD1 4.46Å; I268-I308 HydrophobicContact CG2-CG1 4.08Å; I268-I308 HydrophobicContact CG2-CG2 4.14Å; I268-I308 WeakPolarHBondContact O-CA 2.82Å; F305-I308 HydrophobicContact CB-CB 3.75Å; F305-I308 HydrophobicContact CB-CD1 4.19Å; F305-I308 HydrophobicContact CB-CG1 4.05Å; F305-I308 HydrophobicContact CD1-CD1 4.07Å; F305-I308 HydrophobicContact CD2-CD1 4.49Å; F305-I308 HydrophobicContact CG-CB 4.23Å; F305-I308 HydrophobicContact CG-CD1 3.99Å; F305-I308 HydrophobicContact CG-CG1 4.38Å
309S91.8Very high85.3Confident68 Ų6871.6 Ų71.648%0.47637%0.369SS..EExtended strand (participates in β ladder)trans-109.9143.6178.4-66.70000111.5I268 Y269 Y270I268-S309 PolarHBondContact O-N 2.91Å; Y269-S309 CarbonylContact C-O 3.59Å; Y269-S309 WeakPolarHBondContact CA-O 3.48Å; Y270-S309 PolarHBondContact N-O 3.41Å
310N89.9Confident85.5Confident94 Ų9471 Ų7150%0.50337%0.366SS..EExtended strand (participates in β ladder)trans-78.2135.1174.8-65.7-39.3000110.4Y270Y270-N310 WeakPolarHBondContact O-CA 3.33Å
311L85Confident86Confident6 Ų669.4 Ų69.43%0.03137%0.366CS..EExtended strand (participates in β ladder)trans-114.9127.5173-177.767.9000110Y269 Y270 A271 S272 S313 H316 F317Y269-L311 HydrophobicContact CD1-CB 4.2Å; Y269-L311 HydrophobicContact CG-CB 4.48Å; Y270-L311 PolarHBondContact O-N 3.01Å; A271-L311 WeakPolarHBondContact CA-O 3.47Å; A271-L311 HydrophobicContact CB-CB 3.99Å; A271-L311 HydrophobicContact CB-CD2 3.97Å; A271-L311 HydrophobicContact CB-CG 4.34Å; S272-L311 PolarHBondContact N-O 3.21Å; L311-S313 WeakPolarHBondContact CD1-O 3.49Å; L311-H316 HydrophobicContact CD1-CB 4.12Å; L311-F317 HydrophobicContact CD1-CB 3.78Å; L311-F317 HydrophobicContact CD2-CB 3.79Å; L311-F317 HydrophobicContact CD2-CD2 4.06Å; L311-F317 HydrophobicContact CD2-CG 4.01Å; L311-F317 HydrophobicContact CG-CB 4.39Å
312K74.7Confident86.5Confident161 Ų16169.3 Ų69.370%0.737%0.368SS*.  trans-87.9-45.2-175.2-73.1-178.5-180176.50113.4
313S73.8Confident87.1Confident33 Ų3368.7 Ų68.723%0.23136%0.364CS..  trans-152.316617971.20000109.5L311 D315 H316L311-S313 WeakPolarHBondContact CD1-O 3.49Å; S313-D315 PolarHBondContact O-N 3.16Å; S313-D315 PolarHBondContact OG-N 3.33Å; S313-D315 PolarHBondContact OG-OD2 2.77Å; S313-H316 PolarHBondContact O-N 3.47Å; S313-H316 PolarHBondContact OG-ND1 3.34Å
314M75.3Confident87.6Confident53 Ų5368.4 Ų68.426%0.26136%0.363SS..G310 helixtrans-58-30.4174.3-162.677.385.700112.4H316 F317 L336 E339 L340M314-H316 PolarHBondContact O-N 3.35Å; M314-H316 VanDerWaalsContact O-N 3.12Å; M314-F317 WeakPolarHBondContact O-CB 3.44Å; M314-F317 PolarHBondContact O-N 3.25Å; M314-F317 HydrophobicContact SD-CD1 3.94Å; M314-L336 HydrophobicContact CB-CD1 4.37Å; M314-L336 HydrophobicContact CE-CD1 3.95Å; M314-L336 HydrophobicContact SD-CD1 4.47Å; M314-E339 HydrophobicContact CE-CB 4.29Å; M314-L340 HydrophobicContact CE-CD2 3.48Å; M314-L340 VanDerWaalsContact CE-CD2 3.48Å; M314-L340 HydrophobicContact CE-CG 3.76Å; M314-L340 HydrophobicContact SD-CD2 3.64Å; M314-L340 HydrophobicContact SD-CG 4.43Å
315D78.1Confident88Confident145 Ų14564.2 Ų64.278%0.77534%0.337SS*.G310 helixtrans-64.6-19.5-179.5-40.3-62000113.6S313S313-D315 PolarHBondContact O-N 3.16Å; S313-D315 PolarHBondContact OG-N 3.33Å; S313-D315 PolarHBondContact OG-OD2 2.77Å
316H74.4Confident88.2Confident134 Ų13462.5 Ų62.562%0.6233%0.33SS*.G310 helixtrans-99.98.5178.3-58.682.2000112.1L311 S313 M314L311-H316 HydrophobicContact CD1-CB 4.12Å; S313-H316 PolarHBondContact O-N 3.47Å; S313-H316 PolarHBondContact OG-ND1 3.34Å; M314-H316 PolarHBondContact O-N 3.35Å; M314-H316 VanDerWaalsContact O-N 3.12Å
317F82.4Confident88.1Confident17 Ų1756.1 Ų56.18%0.07530%0.302CS..  trans-114.4109.5-177.5178.5-116.1000110.1Y269 L311 M314 D319 V325 W344Y269-F317 HydrophobicContact CD2-CD2 4.13Å; Y269-F317 AromaticContact CD2-CE2 3.72Å; Y269-F317 HydrophobicContact CD2-CE2 3.72Å; Y269-F317 AromaticContact CE2-CD2 3.91Å; Y269-F317 HydrophobicContact CE2-CD2 3.91Å; Y269-F317 AromaticContact CE2-CE2 3.48Å; Y269-F317 HydrophobicContact CE2-CE2 3.48Å; Y269-F317 VanDerWaalsContact CE2-CE2 3.48Å; L311-F317 HydrophobicContact CD1-CB 3.78Å; L311-F317 HydrophobicContact CD2-CB 3.79Å; L311-F317 HydrophobicContact CD2-CD2 4.06Å; L311-F317 HydrophobicContact CD2-CG 4.01Å; L311-F317 HydrophobicContact CG-CB 4.39Å; M314-F317 WeakPolarHBondContact O-CB 3.44Å; M314-F317 PolarHBondContact O-N 3.25Å; M314-F317 HydrophobicContact SD-CD1 3.94Å; F317-D319 HydrophobicContact CD1-CB 3.98Å; F317-D319 HydrophobicContact CE1-CB 3.44Å; F317-D319 VanDerWaalsContact CE1-CB 3.44Å; F317-D319 HydrophobicContact CZ-CB 4.09Å; F317-D319 PolarHBondContact O-N 3.02Å; F317-V325 HydrophobicContact CE2-CG2 4.32Å; F317-V325 HydrophobicContact CZ-CG2 4.23Å; F317-W344 HydrophobicContact CE1-CZ2 4.02Å; F317-W344 HydrophobicContact CZ-CZ2 4.21Å
318D84.4Confident87.8Confident131 Ų13154.6 Ų54.670%0.70130%0.296SS*.  trans-83103167.7-68.4-33000108.4I320D318-I320 HydrophobicContact CB-CD1 4.12Å; D318-I320 HydrophobicContact CB-CG1 4.27Å; D318-I320 PolarHBondContact O-N 3.39Å
319D89.1Confident87.6Confident57 Ų5754.3 Ų54.331%0.30530%0.295SS..  trans-73.966.3-179.5-169.81.2000112.2R235 F317 W344R235-D319 IonicContact CZ-OD1 2.73Å; R235-D319 VanDerWaalsContact CZ-OD1 3.28Å; R235-D319 IonicContact CZ-OD2 3.28Å; R235-D319 IonicContact NE-OD1 3.72Å; R235-D319 PolarHBondContact NE-OD1 2.87Å; R235-D319 IonicContact NE-OD2 3.26Å; R235-D319 PolarHBondContact NE-OD2 3.39Å; R235-D319 VanDerWaalsContact NH2-CG 3.33Å; R235-D319 PolarHBondContact NH2-O 3.07Å; R235-D319 IonicContact NH2-OD1 3.65Å; R235-D319 PolarHBondContact NH2-OD1 3.3Å; R235-D319 IonicContact NH2-OD2 2.99Å; R235-D319 PolarHBondContact NH2-OD2 2.73Å; F317-D319 HydrophobicContact CD1-CB 3.98Å; F317-D319 HydrophobicContact CE1-CB 3.44Å; F317-D319 VanDerWaalsContact CE1-CB 3.44Å; F317-D319 HydrophobicContact CZ-CB 4.09Å; F317-D319 PolarHBondContact O-N 3.02Å; D319-W344 PolarHBondContact OD2-NE1 2.88Å
320I91.1Very high87.5Confident144 Ų14451.7 Ų51.774%0.73828%0.279SS*.  trans-115.1115.8-177.2-56.7175.7000109.8D318D318-I320 HydrophobicContact CB-CD1 4.12Å; D318-I320 HydrophobicContact CB-CG1 4.27Å; D318-I320 PolarHBondContact O-N 3.39Å
321G94.3Very high87.6Confident37 Ų3748.5 Ų48.538%0.38126%0.261SS..SBendtrans78.9-170.9176.900000113.9
322P97.3Very high88Confident37 Ų3748.2 Ų48.224%0.2426%0.26CS..SBendtrans-68.3141.9176.528.4-33.2000111V230 G234 I266V230-P322 HydrophobicContact CB-CB 4.06Å; V230-P322 HydrophobicContact CG1-CB 4.38Å; G234-P322 WeakPolarHBondContact O-CA 3.04Å; G234-P322 WeakPolarHBondContact O-CB 3.4Å; I266-P322 HydrophobicContact CD1-CG 4.22Å; I266-P322 HydrophobicContact CG1-CG 4.13Å; I266-P322 HydrophobicContact CG2-CB 4.33Å; I266-P322 HydrophobicContact CG2-CG 4.48Å
323S97.4Very high88.7Confident3 Ų343.9 Ų43.92%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-154.4159.5175.258.10000110.5R235 G236R235-S323 CarbonylContact C-O 3.6Å; R235-S323 WeakPolarHBondContact CA-O 3.41Å; G236-S323 PolarHBondContact N-O 3.28Å
324V98.1Very high89.4Confident0 Ų043 Ų430%024%0.236CC..EExtended strand (participates in β ladder)trans-116.1125.6172.2-178.60000108.3V226 V230 G236 I238 L253 W257 P267 I268 Y269V226-V324 HydrophobicContact CG1-CG1 4.39Å; V226-V324 HydrophobicContact CG1-CG2 3.67Å; V230-V324 HydrophobicContact CG1-CG2 3.78Å; G236-V324 CarbonylContact O-C 3.59Å; G236-V324 WeakPolarHBondContact O-CA 3.34Å; I238-V324 HydrophobicContact CD1-CG1 3.71Å; L253-V324 HydrophobicContact CD1-CG1 4.46Å; W257-V324 HydrophobicContact CH2-CG2 3.9Å; W257-V324 HydrophobicContact CZ2-CG2 4.2Å; P267-V324 PolarHBondContact O-N 2.92Å; I268-V324 CarbonylContact C-O 3.38Å; I268-V324 WeakPolarHBondContact CA-O 3.45Å; I268-V324 HydrophobicContact CG1-CB 4.28Å; I268-V324 HydrophobicContact CG2-CB 4.33Å; I268-V324 HydrophobicContact CG2-CG1 4.36Å; Y269-V324 PolarHBondContact N-O 2.89Å
325V96.5Very high90Very high0 Ų041.2 Ų41.20%023%0.231CC..EExtended strand (participates in β ladder)trans-125118.7-179.3-174.90000110.3G236 I238 Y269 A271 F317 A327 L340 W344G236-V325 PolarHBondContact O-N 2.77Å; I238-V325 PolarHBondContact N-O 3.19Å; Y269-V325 HydrophobicContact CD2-CG2 4.04Å; Y269-V325 WeakPolarHBondContact O-CA 3.28Å; A271-V325 HydrophobicContact CB-CG1 3.75Å; F317-V325 HydrophobicContact CE2-CG2 4.32Å; F317-V325 HydrophobicContact CZ-CG2 4.23Å; V325-A327 HydrophobicContact CG1-CB 4.36Å; V325-L340 HydrophobicContact CB-CD1 4.33Å; V325-L340 HydrophobicContact CG1-CD1 3.59Å; V325-W344 HydrophobicContact CB-CH2 3.84Å; V325-W344 HydrophobicContact CB-CZ3 4.34Å; V325-W344 HydrophobicContact CG2-CH2 3.58Å; V325-W344 HydrophobicContact CG2-CZ2 4.39Å; V325-W344 HydrophobicContact CG2-CZ3 4.5Å
326M95.5Very high90.6Very high0 Ų035.6 Ų35.60%020%0.201CC..EExtended strand (participates in β ladder)trans-94.1116.1169.3-66.6178.667.800109.1I238 V240 A246 L249 L250 L253 Y269 Y270 A271I238-M326 HydrophobicContact CB-CG 3.95Å; I238-M326 HydrophobicContact CD1-CG 4.1Å; I238-M326 HydrophobicContact CG2-CG 4.3Å; I238-M326 VanDerWaalsContact O-CA 3.32Å; I238-M326 WeakPolarHBondContact O-CA 3.49Å; V240-M326 HydrophobicContact CG1-CB 4.26Å; V240-M326 HydrophobicContact CG1-CE 3.7Å; A246-M326 HydrophobicContact CB-CE 4.03Å; L249-M326 HydrophobicContact CB-CE 3.64Å; L249-M326 HydrophobicContact CB-SD 4.45Å; L249-M326 HydrophobicContact CD1-CE 4.14Å; L250-M326 HydrophobicContact CD2-CE 4.16Å; L250-M326 HydrophobicContact CD2-SD 3.46Å; L250-M326 WeakPolarHBondContact CD2-SD 3.37Å; L250-M326 HydrophobicContact CG-CE 3.99Å; L250-M326 HydrophobicContact CG-SD 3.91Å; L253-M326 HydrophobicContact CD1-SD 3.85Å; Y269-M326 PolarHBondContact O-N 3.48Å; Y270-M326 HydrophobicContact CD2-CB 4.23Å; A271-M326 WeakPolarHBondContact CA-O 3.44Å; A271-M326 WeakPolarHBondContact CB-O 3.49Å; A271-M326 PolarHBondContact N-O 3.42Å
327A91.9Very high91.5Very high0 Ų029.2 Ų29.20%017%0.171CC..EExtended strand (participates in β ladder)trans-134.9146.4-172.400000112.8L237 I238 P239 V240 A271 V325 L336 S337 L340L237-A327 HydrophobicContact CD1-CB 4.45Å; I238-A327 PolarHBondContact O-N 2.78Å; P239-A327 WeakPolarHBondContact CA-O 3.44Å; V240-A327 PolarHBondContact N-O 2.78Å; V240-A327 CarbonylContact O-C 3.55Å; V240-A327 VanDerWaalsContact O-O 3.05Å; A271-A327 HydrophobicContact CB-CB 4.18Å; V325-A327 HydrophobicContact CG1-CB 4.36Å; A327-L336 HydrophobicContact CB-CG 4.31Å; A327-S337 WeakPolarHBondContact O-CB 3.39Å; A327-L340 HydrophobicContact CB-CD1 3.76Å
328S88.6Confident92.1Very high10 Ų1029.6 Ų29.67%0.0717%0.172CC..SBendtrans-89.5153.7173.462.10000112.3D109 V240 L336 S337D109-S328 PolarHBondContact OD2-OG 2.9Å; V240-S328 VanDerWaalsContact O-CA 3.23Å; V240-S328 WeakPolarHBondContact O-CA 3.3Å; V240-S328 PolarHBondContact O-N 3.14Å; S328-L336 PolarHBondContact O-N 3.07Å; S328-S337 PolarHBondContact O-N 2.79Å
329P89.3Confident92.5Very high11 Ų1127.8 Ų27.87%0.07116%0.16CC..  cis-83.1163.5-6.534.9-35.5000113.6V113 F241 M331 M332 S334 S337V113-P329 HydrophobicContact CG1-CB 4.49Å; V113-P329 HydrophobicContact CG1-CG 4.02Å; F241-P329 HydrophobicContact CD1-CB 4.28Å; F241-P329 HydrophobicContact CE1-CB 3.65Å; F241-P329 HydrophobicContact CZ-CB 4.02Å; P329-M331 PolarHBondContact O-N 2.77Å; P329-M332 PolarHBondContact O-N 3.14Å; P329-S334 WeakPolarHBondContact CD-O 3.4Å; P329-S334 WeakPolarHBondContact CG-O 3.47Å; P329-S337 WeakPolarHBondContact CD-OG 3.35Å; P329-S337 WeakPolarHBondContact O-CB 3.2Å; P329-S337 PolarHBondContact O-OG 2.86Å
330G89.9Confident92.8Very high13 Ų1325.1 Ų25.113%0.13415%0.145CC..THydrogen-bonded Turntrans-66.1-31.4-177.700000115.5
331M92.4Very high93.1Very high27 Ų2718.2 Ų18.213%0.13311%0.11CC..THydrogen-bonded Turntrans-95.21.3-178-59.2179.9-168.200113.7P45 P329 Q333 V359 T362 A364P45-M331 HydrophobicContact CB-CE 4.44Å; P45-M331 HydrophobicContact CB-SD 3.83Å; P45-M331 HydrophobicContact CG-CE 4.39Å; P45-M331 HydrophobicContact CG-SD 4.41Å; P329-M331 PolarHBondContact O-N 2.77Å; M331-Q333 VanDerWaalsContact C-N 3.32Å; M331-Q333 PolarHBondContact O-N 3.25Å; M331-V359 HydrophobicContact CE-CB 4.44Å; M331-V359 HydrophobicContact CE-CG2 3.78Å; M331-V359 HydrophobicContact SD-CB 4.22Å; M331-V359 HydrophobicContact SD-CG2 4.18Å; M331-T362 HydrophobicContact CB-CG2 3.92Å; M331-T362 HydrophobicContact CG-CG2 4.37Å; M331-T362 HydrophobicContact SD-CG2 3.75Å; M331-A364 HydrophobicContact CB-CB 4.44Å; M331-A364 PolarHBondContact O-N 2.65Å
332M93.7Very high93.2Very high0 Ų018.1 Ų18.10%010%0.1CC..  trans60.530.3170.1-50.4163.561.900115.7L237 P239 P329 R338 F341 V352 I354 L363 A364 I367L237-M332 HydrophobicContact CD2-CE 4.34Å; P239-M332 HydrophobicContact CB-CG 3.57Å; P239-M332 HydrophobicContact CB-SD 3.9Å; P239-M332 HydrophobicContact CG-CG 4.01Å; P239-M332 HydrophobicContact CG-SD 3.67Å; P329-M332 PolarHBondContact O-N 3.14Å; M332-R338 WeakPolarHBondContact O-CD 3.41Å; M332-R338 PolarHBondContact O-NH1 2.89Å; M332-F341 HydrophobicContact CE-CB 3.28Å; M332-F341 HydrophobicContact CE-CD1 3.79Å; M332-F341 HydrophobicContact CE-CD2 3.38Å; M332-F341 HydrophobicContact CE-CE1 4.43Å; M332-F341 HydrophobicContact CE-CE2 4.08Å; M332-F341 HydrophobicContact CE-CG 3.18Å; M332-V352 HydrophobicContact SD-CG2 4.49Å; M332-I354 HydrophobicContact SD-CD1 3.99Å; M332-L363 HydrophobicContact CB-CB 4.28Å; M332-L363 HydrophobicContact CB-CD2 3.96Å; M332-L363 HydrophobicContact CB-CG 4.42Å; M332-L363 HydrophobicContact CE-CD2 4.08Å; M332-A364 HydrophobicContact SD-CB 4.36Å; M332-I367 HydrophobicContact SD-CD1 4.28Å
333Q89Confident93.1Very high70 Ų7020 Ų2033%0.32711%0.113SC..SBendtrans-66.8-41.5177.8-62.6-66.156.500112.3M331 R338 G361 T362 L363M331-Q333 VanDerWaalsContact C-N 3.32Å; M331-Q333 PolarHBondContact O-N 3.25Å; Q333-R338 PolarHBondContact O-NH1 2.95Å; Q333-G361 PolarHBondContact NE2-O 3.49Å; Q333-G361 VanDerWaalsContact NE2-O 3.15Å; Q333-T362 HydrophobicContact CG-CG2 4.34Å; Q333-L363 VanDerWaalsContact OE1-N 3.12Å
334S88.5Confident93.1Very high14 Ų1420 Ų2010%0.09811%0.113CC..SBendtrans-151.8-172.4179.760.50000110V113 P329 R338V113-S334 WeakPolarHBondContact CG1-OG 3.3Å; V113-S334 PolarHBondContact O-OG 2.8Å; P329-S334 WeakPolarHBondContact CD-O 3.4Å; P329-S334 WeakPolarHBondContact CG-O 3.47Å; S334-R338 WeakPolarHBondContact O-CB 3.35Å
335G88.9Confident93.1Very high16 Ų1620 Ų2017%0.16511%0.113CC..Hα-helixtrans74.2-165.5170.200000114.7S337 R338 E339G335-S337 PolarHBondContact O-N 2.87Å; G335-R338 WeakPolarHBondContact O-CB 3.32Å; G335-R338 PolarHBondContact O-N 2.9Å; G335-R338 VanDerWaalsContact O-N 3.11Å; G335-E339 PolarHBondContact O-N 3.48Å
336L89.8Confident93.2Very high27 Ų2722.8 Ų22.814%0.14113%0.13CC..Hα-helixtrans-65.6-36.7-166.9-174.259.5000113.7A271 M314 A327 S328 R338 E339 L340A271-L336 HydrophobicContact CB-CD2 3.58Å; M314-L336 HydrophobicContact CB-CD1 4.37Å; M314-L336 HydrophobicContact CE-CD1 3.95Å; M314-L336 HydrophobicContact SD-CD1 4.47Å; A327-L336 HydrophobicContact CB-CG 4.31Å; S328-L336 PolarHBondContact O-N 3.07Å; L336-R338 VanDerWaalsContact C-N 3.26Å; L336-R338 PolarHBondContact O-N 3.04Å; L336-E339 PolarHBondContact O-N 2.59Å; L336-L340 HydrophobicContact CD1-CD1 4.26Å; L336-L340 HydrophobicContact CD1-CG 4.23Å; L336-L340 HydrophobicContact CG-CD1 3.93Å; L336-L340 HydrophobicContact CG-CG 4.39Å; L336-L340 WeakPolarHBondContact O-CB 3.28Å; L336-L340 WeakPolarHBondContact O-CD1 3.28Å; L336-L340 VanDerWaalsContact O-CG 3.3Å; L336-L340 WeakPolarHBondContact O-CG 3.43Å; L336-L340 PolarHBondContact O-N 3.27Å
337S93.2Very high93.3Very high0 Ų024.7 Ų24.70%014%0.141CC..Hα-helixtrans-64-34.1176.372.20000112.2A327 S328 P329 G335 F341A327-S337 WeakPolarHBondContact O-CB 3.39Å; S328-S337 PolarHBondContact O-N 2.79Å; P329-S337 WeakPolarHBondContact CD-OG 3.35Å; P329-S337 WeakPolarHBondContact O-CB 3.2Å; P329-S337 PolarHBondContact O-OG 2.86Å; G335-S337 PolarHBondContact O-N 2.87Å; S337-F341 WeakPolarHBondContact O-CB 3.17Å; S337-F341 PolarHBondContact O-N 3.5Å; S337-F341 VanDerWaalsContact O-N 3.1Å
338R94.5Very high93.6Very high24 Ų2432.4 Ų32.49%0.09117%0.174CC..Hα-helixtrans-71.4-44.7175.8177.855.4172.2-81.51.2111.7M332 Q333 S334 G335 L336 F341 E342 L363 T375 M377M332-R338 WeakPolarHBondContact O-CD 3.41Å; M332-R338 PolarHBondContact O-NH1 2.89Å; Q333-R338 PolarHBondContact O-NH1 2.95Å; S334-R338 WeakPolarHBondContact O-CB 3.35Å; G335-R338 WeakPolarHBondContact O-CB 3.32Å; G335-R338 PolarHBondContact O-N 2.9Å; G335-R338 VanDerWaalsContact O-N 3.11Å; L336-R338 VanDerWaalsContact C-N 3.26Å; L336-R338 PolarHBondContact O-N 3.04Å; R338-F341 PolarHBondContact O-N 2.54Å; R338-E342 IonicContact CZ-OE1 3.57Å; R338-E342 IonicContact NE-OE1 3.98Å; R338-E342 PolarHBondContact NE-OE1 2.73Å; R338-E342 IonicContact NH2-OE1 2.72Å; R338-E342 WeakPolarHBondContact O-CG 3.32Å; R338-E342 PolarHBondContact O-N 3.24Å; R338-L363 VanDerWaalsContact CD-CD2 3.42Å; R338-T375 PolarHBondContact NH2-O 3.48Å; R338-M377 HydrophobicContact CB-SD 4.36Å; R338-M377 HydrophobicContact CG-CG 3.78Å; R338-M377 HydrophobicContact CG-SD 3.55Å; R338-M377 VanDerWaalsContact CG-SD 3.55Å
339E93.1Very high94.1Very high93 Ų9337.1 Ų37.144%0.43519%0.19SC..Hα-helixtrans-61.8-44.4177.6-69.7172.4-163.200112.3M314 G335 L336 E342 S343M314-E339 HydrophobicContact CE-CB 4.29Å; G335-E339 PolarHBondContact O-N 3.48Å; L336-E339 PolarHBondContact O-N 2.59Å; E339-E342 PolarHBondContact O-N 3.25Å; E339-S343 WeakPolarHBondContact O-CB 3.46Å; E339-S343 PolarHBondContact O-N 3.37Å; E339-S343 PolarHBondContact O-OG 3.11Å
340L95Very high94.5Very high1 Ų136.7 Ų36.71%0.00519%0.187CC..Hα-helixtrans-62.6-43.2175.6-73.6164.9000111.3L237 M314 V325 A327 L336 S343 W344L237-L340 HydrophobicContact CD1-CB 3.93Å; L237-L340 HydrophobicContact CD1-CD1 3.96Å; L237-L340 HydrophobicContact CD2-CB 4.37Å; M314-L340 HydrophobicContact CE-CD2 3.48Å; M314-L340 VanDerWaalsContact CE-CD2 3.48Å; M314-L340 HydrophobicContact CE-CG 3.76Å; M314-L340 HydrophobicContact SD-CD2 3.64Å; M314-L340 HydrophobicContact SD-CG 4.43Å; V325-L340 HydrophobicContact CB-CD1 4.33Å; V325-L340 HydrophobicContact CG1-CD1 3.59Å; A327-L340 HydrophobicContact CB-CD1 3.76Å; L336-L340 HydrophobicContact CD1-CD1 4.26Å; L336-L340 HydrophobicContact CD1-CG 4.23Å; L336-L340 HydrophobicContact CG-CD1 3.93Å; L336-L340 HydrophobicContact CG-CG 4.39Å; L336-L340 WeakPolarHBondContact O-CB 3.28Å; L336-L340 WeakPolarHBondContact O-CD1 3.28Å; L336-L340 VanDerWaalsContact O-CG 3.3Å; L336-L340 WeakPolarHBondContact O-CG 3.43Å; L336-L340 PolarHBondContact O-N 3.27Å; L340-S343 PolarHBondContact O-N 3.23Å; L340-W344 HydrophobicContact CB-CE3 4.4Å; L340-W344 HydrophobicContact CB-CZ3 4.4Å; L340-W344 HydrophobicContact CD2-CH2 3.76Å; L340-W344 HydrophobicContact CD2-CZ2 3.53Å; L340-W344 HydrophobicContact CD2-CZ3 4.39Å; L340-W344 VanDerWaalsContact O-CB 3.28Å; L340-W344 WeakPolarHBondContact O-CB 3.28Å; L340-W344 VanDerWaalsContact O-CG 3.22Å; L340-W344 PolarHBondContact O-N 2.85Å
341F97.4Very high94.9Very high0 Ų036 Ų360%018%0.181CC..Hα-helixtrans-61.2-48.2177.1175.8-101.7000112.3L237 M332 S337 R338 S343 W344 C345 V352 L363 I367 I374 L384 M386L237-F341 HydrophobicContact CD2-CB 3.68Å; L237-F341 HydrophobicContact CD2-CD2 4.38Å; M332-F341 HydrophobicContact CE-CB 3.28Å; M332-F341 HydrophobicContact CE-CD1 3.79Å; M332-F341 HydrophobicContact CE-CD2 3.38Å; M332-F341 HydrophobicContact CE-CE1 4.43Å; M332-F341 HydrophobicContact CE-CE2 4.08Å; M332-F341 HydrophobicContact CE-CG 3.18Å; S337-F341 WeakPolarHBondContact O-CB 3.17Å; S337-F341 PolarHBondContact O-N 3.5Å; S337-F341 VanDerWaalsContact O-N 3.1Å; R338-F341 PolarHBondContact O-N 2.54Å; F341-S343 VanDerWaalsContact C-N 3.25Å; F341-S343 PolarHBondContact O-N 3.26Å; F341-W344 PolarHBondContact O-N 2.98Å; F341-W344 VanDerWaalsContact O-N 3.11Å; F341-C345 HydrophobicContact CD2-CB 4.46Å; F341-C345 HydrophobicContact CE1-CB 4.27Å; F341-C345 HydrophobicContact CE2-CB 4.19Å; F341-C345 HydrophobicContact CZ-CB 4.09Å; F341-C345 WeakPolarHBondContact O-CB 3.36Å; F341-C345 PolarHBondContact O-N 3.47Å; F341-V352 HydrophobicContact CE2-CG1 4.26Å; F341-L363 HydrophobicContact CD1-CD2 3.9Å; F341-L363 HydrophobicContact CE1-CD1 4.5Å; F341-L363 HydrophobicContact CE1-CD2 3.97Å; F341-I367 HydrophobicContact CE1-CG2 4.43Å; F341-I367 HydrophobicContact CE2-CD1 4.17Å; F341-I367 HydrophobicContact CZ-CD1 4.44Å; F341-I367 HydrophobicContact CZ-CG2 3.81Å; F341-I374 HydrophobicContact CE1-CB 4.42Å; F341-I374 HydrophobicContact CE1-CD1 4.04Å; F341-I374 HydrophobicContact CE1-CG1 3.89Å; F341-I374 HydrophobicContact CE1-CG2 4.32Å; F341-I374 HydrophobicContact CZ-CG1 4.45Å; F341-I374 HydrophobicContact CZ-CG2 4.34Å; F341-L384 HydrophobicContact CE2-CD1 4.03Å; F341-L384 HydrophobicContact CZ-CD1 3.75Å; F341-M386 HydrophobicContact CD2-SD 3.53Å; F341-M386 VanDerWaalsContact CD2-SD 3.53Å; F341-M386 HydrophobicContact CE2-CG 4.49Å; F341-M386 HydrophobicContact CE2-SD 3.47Å; F341-M386 WeakPolarHBondContact CE2-SD 3.43Å
342E96.9Very high95.2Very high35 Ų3534.8 Ų34.816%0.16417%0.174CC..Hα-helixtrans-59.9-38.8177.8-70.9-179.3-175.400111.5R338 E339 W344 C345 T376 M377 L382R338-E342 IonicContact CZ-OE1 3.57Å; R338-E342 IonicContact NE-OE1 3.98Å; R338-E342 PolarHBondContact NE-OE1 2.73Å; R338-E342 IonicContact NH2-OE1 2.72Å; R338-E342 WeakPolarHBondContact O-CG 3.32Å; R338-E342 PolarHBondContact O-N 3.24Å; E339-E342 PolarHBondContact O-N 3.25Å; E342-W344 VanDerWaalsContact C-N 3.32Å; E342-W344 PolarHBondContact O-N 2.87Å; E342-C345 PolarHBondContact O-SG 3.06Å; E342-C345 VanDerWaalsContact O-SG 3.37Å; E342-T376 HydrophobicContact CG-CG2 4.2Å; E342-T376 WeakPolarHBondContact OE1-CA 3.4Å; E342-T376 WeakPolarHBondContact OE1-CB 3.22Å; E342-T376 WeakPolarHBondContact OE2-CB 3.29Å; E342-M377 PolarHBondContact OE1-N 3.39Å; E342-L382 HydrophobicContact CB-CD1 4.21Å; E342-L382 WeakPolarHBondContact O-CD1 3.27Å
343S95.6Very high95.4Very high75 Ų7534.8 Ų34.852%0.52417%0.174SC..Hα-helixtrans-67.4-30.6177-58.20000113.2E339 L340 F341E339-S343 WeakPolarHBondContact O-CB 3.46Å; E339-S343 PolarHBondContact O-N 3.37Å; E339-S343 PolarHBondContact O-OG 3.11Å; L340-S343 PolarHBondContact O-N 3.23Å; F341-S343 VanDerWaalsContact C-N 3.25Å; F341-S343 PolarHBondContact O-N 3.26Å
344W97.8Very high95.8Very high3 Ų331.5 Ų31.51%0.01116%0.159CC..Hα-helixtrans-106.9-18.9-170.2-66.8-10.5000114.8R235 L237 F317 D319 V325 L340 F341 E342 T346 D347 N350R235-W344 HydrophobicContact CB-CD2 3.77Å; R235-W344 HydrophobicContact CB-CE3 3.72Å; R235-W344 HydrophobicContact CB-CH2 3.69Å; R235-W344 HydrophobicContact CB-CZ2 3.75Å; R235-W344 HydrophobicContact CB-CZ3 3.68Å; R235-W344 HydrophobicContact CG-CD2 4.23Å; R235-W344 HydrophobicContact CG-CH2 4.17Å; R235-W344 HydrophobicContact CG-CZ2 3.75Å; L237-W344 HydrophobicContact CB-CE3 3.86Å; L237-W344 HydrophobicContact CB-CZ3 3.75Å; L237-W344 HydrophobicContact CD1-CZ3 4.09Å; L237-W344 HydrophobicContact CG-CZ3 4.43Å; F317-W344 HydrophobicContact CE1-CZ2 4.02Å; F317-W344 HydrophobicContact CZ-CZ2 4.21Å; D319-W344 PolarHBondContact OD2-NE1 2.88Å; V325-W344 HydrophobicContact CB-CH2 3.84Å; V325-W344 HydrophobicContact CB-CZ3 4.34Å; V325-W344 HydrophobicContact CG2-CH2 3.58Å; V325-W344 HydrophobicContact CG2-CZ2 4.39Å; V325-W344 HydrophobicContact CG2-CZ3 4.5Å; L340-W344 HydrophobicContact CB-CE3 4.4Å; L340-W344 HydrophobicContact CB-CZ3 4.4Å; L340-W344 HydrophobicContact CD2-CH2 3.76Å; L340-W344 HydrophobicContact CD2-CZ2 3.53Å; L340-W344 HydrophobicContact CD2-CZ3 4.39Å; L340-W344 VanDerWaalsContact O-CB 3.28Å; L340-W344 WeakPolarHBondContact O-CB 3.28Å; L340-W344 VanDerWaalsContact O-CG 3.22Å; L340-W344 PolarHBondContact O-N 2.85Å; F341-W344 PolarHBondContact O-N 2.98Å; F341-W344 VanDerWaalsContact O-N 3.11Å; E342-W344 VanDerWaalsContact C-N 3.32Å; E342-W344 PolarHBondContact O-N 2.87Å; W344-T346 PolarHBondContact O-N 3.14Å; W344-T346 VanDerWaalsContact O-N 3.11Å; W344-D347 PolarHBondContact O-N 2.78Å; W344-N350 WeakPolarHBondContact CA-ND2 3.44Å; W344-N350 HydrophobicContact CB-CB 4.27Å; W344-N350 VanDerWaalsContact CB-ND2 3.34Å; W344-N350 WeakPolarHBondContact CB-ND2 3.44Å; W344-N350 PolarHBondContact O-ND2 3.08Å
345C97.9Very high96Very high0 Ų031 Ų310%016%0.156CC..THydrogen-bonded Turntrans-61.8-24.5-171.264.40000114.7F341 E342 L384 K385 M386F341-C345 HydrophobicContact CD2-CB 4.46Å; F341-C345 HydrophobicContact CE1-CB 4.27Å; F341-C345 HydrophobicContact CE2-CB 4.19Å; F341-C345 HydrophobicContact CZ-CB 4.09Å; F341-C345 WeakPolarHBondContact O-CB 3.36Å; F341-C345 PolarHBondContact O-N 3.47Å; E342-C345 PolarHBondContact O-SG 3.06Å; E342-C345 VanDerWaalsContact O-SG 3.37Å; C345-L384 HydrophobicContact CB-CD1 4.07Å; C345-K385 PolarHBondContact O-N 2.79Å; C345-M386 VanDerWaalsContact CA-SD 3.52Å; C345-M386 HydrophobicContact CB-CG 4.41Å; C345-M386 HydrophobicContact CB-SD 3.92Å; C345-M386 PolarHBondContact O-N 2.92Å
346T97.9Very high96.1Very high60 Ų6031.6 Ų31.637%0.36816%0.162SC..THydrogen-bonded Turntrans-84.3-10.2-175.863.70000114.5W344 L382 P383 K385W344-T346 PolarHBondContact O-N 3.14Å; W344-T346 VanDerWaalsContact O-N 3.11Å; T346-L382 HydrophobicContact CG2-CB 4.19Å; T346-L382 HydrophobicContact CG2-CD2 4.33Å; T346-P383 HydrophobicContact CG2-CG 4.05Å; T346-K385 WeakPolarHBondContact O-CD 3.32Å
347D98.1Very high96Very high40 Ų4032.7 Ų32.721%0.21417%0.165CC..  trans-104.9120.6178.1-170.4-27.2000111W344 R349 N350W344-D347 PolarHBondContact O-N 2.78Å; D347-R349 PolarHBondContact O-N 3.03Å; D347-R349 VanDerWaalsContact O-N 3.13Å; D347-R349 WeakPolarHBondContact OD1-CB 3.48Å; D347-R349 WeakPolarHBondContact OD1-CG 3.18Å; D347-R349 PolarHBondContact OD1-N 3.14Å; D347-R349 IonicContact OD1-NE 3.85Å; D347-R349 PolarHBondContact OD1-NE 3.45Å; D347-R349 IonicContact OD2-CZ 3.63Å; D347-R349 IonicContact OD2-NE 3.48Å; D347-R349 PolarHBondContact OD2-NE 3.12Å; D347-R349 VanDerWaalsContact OD2-NE 3.16Å; D347-R349 IonicContact OD2-NH2 3.81Å; D347-R349 PolarHBondContact OD2-NH2 2.82Å; D347-N350 WeakPolarHBondContact O-CB 3.46Å; D347-N350 PolarHBondContact O-N 3.4Å; D347-N350 VanDerWaalsContact O-N 3.09Å
348K98Very high95.8Very high161 Ų16133 Ų3370%0.717%0.167SC*.THydrogen-bonded Turntrans-64.3-14.7-178.768.3176.3-176.6175.50115K385K348-K385 WeakPolarHBondContact CA-O 3.16Å; K348-K385 HydrophobicContact CB-CB 4.39Å
349R98.2Very high95.5Very high110 Ų11032.2 Ų32.242%0.41516%0.164SC..THydrogen-bonded Turntrans-76.8-27.3175.8-63.4175.9-67.4165.71.2111.3R232 G234 D347R232-R349 HydrophobicContact CG-CB 4.48Å; R232-R349 PolarHBondContact NE-O 3.26Å; R232-R349 PolarHBondContact NH2-O 3.09Å; G234-R349 WeakPolarHBondContact CA-O 3.33Å; D347-R349 PolarHBondContact O-N 3.03Å; D347-R349 VanDerWaalsContact O-N 3.13Å; D347-R349 WeakPolarHBondContact OD1-CB 3.48Å; D347-R349 WeakPolarHBondContact OD1-CG 3.18Å; D347-R349 PolarHBondContact OD1-N 3.14Å; D347-R349 IonicContact OD1-NE 3.85Å; D347-R349 PolarHBondContact OD1-NE 3.45Å; D347-R349 IonicContact OD2-CZ 3.63Å; D347-R349 IonicContact OD2-NE 3.48Å; D347-R349 PolarHBondContact OD2-NE 3.12Å; D347-R349 VanDerWaalsContact OD2-NE 3.16Å; D347-R349 IonicContact OD2-NH2 3.81Å; D347-R349 PolarHBondContact OD2-NH2 2.82Å
350N98.6Very high95.2Very high1 Ų133.8 Ų33.81%0.00517%0.172CC..  trans-73.9164.4-179-60.2-23.8000111R232 R235 W344 D347 M386 S387R232-N350 PolarHBondContact NH2-O 3.39Å; R235-N350 VanDerWaalsContact CD-OD1 3.23Å; R235-N350 WeakPolarHBondContact CD-OD1 3.48Å; R235-N350 PolarHBondContact N-OD1 3.42Å; R235-N350 WeakPolarHBondContact O-CA 3.33Å; W344-N350 WeakPolarHBondContact CA-ND2 3.44Å; W344-N350 HydrophobicContact CB-CB 4.27Å; W344-N350 VanDerWaalsContact CB-ND2 3.34Å; W344-N350 WeakPolarHBondContact CB-ND2 3.44Å; W344-N350 PolarHBondContact O-ND2 3.08Å; D347-N350 WeakPolarHBondContact O-CB 3.46Å; D347-N350 PolarHBondContact O-N 3.4Å; D347-N350 VanDerWaalsContact O-N 3.09Å; N350-M386 HydrophobicContact CB-CB 4.02Å; N350-M386 HydrophobicContact CB-CE 4.1Å; N350-S387 PolarHBondContact O-N 3.28Å; N350-S387 VanDerWaalsContact O-N 3.11Å
351G98.4Very high94.8Very high0 Ų036.5 Ų36.50%020%0.2CC..EExtended strand (participates in β ladder)trans-150.2147175.300000111.5R235 G236 L237 S387R235-G351 PolarHBondContact O-N 3.41Å; G236-G351 WeakPolarHBondContact CA-O 3.37Å; L237-G351 PolarHBondContact N-O 3.29Å; G351-S387 CarbonylContact C-O 3.45Å; G351-S387 WeakPolarHBondContact CA-O 3.5Å; G351-S387 WeakPolarHBondContact CA-OG 3.34Å
352V98.4Very high94.5Very high0 Ų036.8 Ų36.80%020%0.201CC..EExtended strand (participates in β ladder)trans-118.7128175.760.40000108.6L237 P239 M332 F341 I354 I367 M386 S387 V388 D389L237-V352 HydrophobicContact CB-CB 4.32Å; L237-V352 HydrophobicContact CB-CG2 4.2Å; L237-V352 HydrophobicContact CD2-CG2 4.16Å; L237-V352 HydrophobicContact CG-CG2 4.22Å; L237-V352 CarbonylContact O-C 3.59Å; L237-V352 VanDerWaalsContact O-CA 3.3Å; L237-V352 WeakPolarHBondContact O-CA 3.46Å; P239-V352 HydrophobicContact CG-CG2 4.09Å; M332-V352 HydrophobicContact SD-CG2 4.49Å; F341-V352 HydrophobicContact CE2-CG1 4.26Å; V352-I354 HydrophobicContact CG2-CD1 3.79Å; V352-I367 HydrophobicContact CG1-CD1 4.14Å; V352-M386 HydrophobicContact CB-CE 3.62Å; V352-M386 HydrophobicContact CB-SD 4.24Å; V352-M386 HydrophobicContact CG1-CE 4Å; V352-M386 HydrophobicContact CG1-CG 4.45Å; V352-M386 HydrophobicContact CG1-SD 4.07Å; V352-S387 WeakPolarHBondContact CG1-O 3.48Å; V352-S387 PolarHBondContact N-O 3.43Å; V352-V388 HydrophobicContact CG1-CB 4.16Å; V352-V388 HydrophobicContact CG1-CG1 4.16Å; V352-V388 HydrophobicContact CG1-CG2 3.78Å; V352-D389 PolarHBondContact O-N 3.17Å
353I98.3Very high94.4Very high0 Ų035.8 Ų35.80%020%0.197CC..EExtended strand (participates in β ladder)trans-112.3106.9-178.8-56170.4000108.5F222 T225 V226 I229 L237 I238 P239 A355 D389 I391F222-I353 HydrophobicContact CD2-CG2 4.05Å; F222-I353 HydrophobicContact CE2-CD1 4.43Å; F222-I353 HydrophobicContact CE2-CG2 4.13Å; T225-I353 HydrophobicContact CG2-CD1 3.78Å; T225-I353 HydrophobicContact CG2-CG1 3.94Å; V226-I353 HydrophobicContact CB-CD1 4.46Å; V226-I353 HydrophobicContact CG2-CD1 3.41Å; V226-I353 VanDerWaalsContact CG2-CD1 3.41Å; I229-I353 HydrophobicContact CD1-CD1 4.05Å; I229-I353 HydrophobicContact CD1-CG1 4.19Å; L237-I353 PolarHBondContact O-N 3.26Å; I238-I353 HydrophobicContact CG1-CB 4.34Å; P239-I353 WeakPolarHBondContact CD-O 3.34Å; I353-A355 PolarHBondContact O-N 3.43Å; I353-D389 CarbonylContact C-O 3.58Å; I353-D389 WeakPolarHBondContact CA-O 3.39Å; I353-D389 HydrophobicContact CG1-CB 4.46Å; I353-I391 HydrophobicContact CG2-CB 4.42Å; I353-I391 HydrophobicContact CG2-CD1 4.03Å; I353-I391 HydrophobicContact CG2-CG1 4.2Å
354I96.8Very high94.4Very high2 Ų232.2 Ų32.21%0.0117%0.172CC..EExtended strand (participates in β ladder)trans-84.5113.8177.5-53.2-56.5000109.2P239 M332 V352 C358 A364 I367 M368 D389 Y390 I391P239-I354 HydrophobicContact CG-CD1 3.37Å; M332-I354 HydrophobicContact SD-CD1 3.99Å; V352-I354 HydrophobicContact CG2-CD1 3.79Å; I354-C358 WeakPolarHBondContact CG2-SG 3.46Å; I354-A364 HydrophobicContact CD1-CB 4.32Å; I354-I367 HydrophobicContact CD1-CD1 4.16Å; I354-I367 HydrophobicContact CG1-CD1 4.39Å; I354-M368 HydrophobicContact CB-CE 4.1Å; I354-M368 HydrophobicContact CG1-CE 4.46Å; I354-M368 HydrophobicContact CG2-CE 3.52Å; I354-D389 PolarHBondContact N-O 2.97Å; I354-Y390 HydrophobicContact CB-CD2 4.03Å; I354-Y390 HydrophobicContact CG2-CD2 3.98Å; I354-Y390 HydrophobicContact CG2-CE2 4.29Å; I354-Y390 WeakPolarHBondContact O-CD2 3.4Å; I354-I391 PolarHBondContact O-N 3.33Å
355A94Very high94.3Very high3 Ų335.5 Ų35.53%0.02519%0.187CC..  trans-104.5-12-172.400000115.1L249 I353 I391 F393L249-A355 HydrophobicContact CD1-CB 3.79Å; I353-A355 PolarHBondContact O-N 3.43Å; A355-I391 WeakPolarHBondContact CA-O 2.98Å; A355-F393 HydrophobicContact CB-CD2 4.36Å; A355-F393 WeakPolarHBondContact O-CA 3.09Å; A355-F393 PolarHBondContact O-N 3.5Å
356G89.6Confident94.1Very high28 Ų2839.8 Ų39.829%0.28921%0.206SC..SBendtrans-114.7168.4-178.600000113.1Y390 S394G356-Y390 WeakPolarHBondContact O-CE2 3.23Å; G356-S394 VanDerWaalsContact C-OG 3.31Å; G356-S394 WeakPolarHBondContact CA-OG 3.18Å
357Y88.1Confident94.1Very high51 Ų5136.9 Ų36.920%0.219%0.189CC..  trans-62.9139.5170-174.6-90.3000109.5V23 T206 Y207 V359 S394V23-Y357 HydrophobicContact CB-CE1 3.92Å; V23-Y357 HydrophobicContact CG1-CD1 3.99Å; V23-Y357 HydrophobicContact CG1-CE1 3.71Å; V23-Y357 HydrophobicContact CG2-CE1 3.97Å; T206-Y357 HydrophobicContact CG2-CD2 3.87Å; T206-Y357 HydrophobicContact CG2-CE2 4.13Å; T206-Y357 HydrophobicContact CG2-CG 4.18Å; Y207-Y357 AromaticContact CE2-CD2 3.96Å; Y207-Y357 HydrophobicContact CE2-CD2 3.96Å; Y207-Y357 AromaticContact CZ-CD2 3.79Å; Y357-V359 HydrophobicContact CD1-CG2 4.25Å; Y357-V359 HydrophobicContact CE1-CG2 4.19Å; Y357-S394 PolarHBondContact N-OG 3.23Å
358C89.8Confident93.9Very high7 Ų737.7 Ų37.75%0.04719%0.192CC..  trans-116.8117.8-178.8-68.20000109.7I354 A364 K365 M368I354-C358 WeakPolarHBondContact CG2-SG 3.46Å; C358-A364 HydrophobicContact CB-CB 4.35Å; C358-A364 WeakPolarHBondContact SG-CB 3.46Å; C358-K365 HydrophobicContact CB-CB 3.96Å; C358-K365 HydrophobicContact CB-CD 4.29Å; C358-M368 HydrophobicContact CB-CE 3.77Å; C358-M368 WeakPolarHBondContact SG-CE 3.44Å
359V87.9Confident93.6Very high6 Ų634 Ų344%0.03619%0.186CC..  trans-73145178.2-179.20000109.6V23 H44 M331 Y357 T362 K365V23-V359 HydrophobicContact CG1-CG2 4.07Å; H44-V359 VanDerWaalsContact CE1-CG1 3.49Å; H44-V359 WeakPolarHBondContact CE1-CG1 3.39Å; M331-V359 HydrophobicContact CE-CB 4.44Å; M331-V359 HydrophobicContact CE-CG2 3.78Å; M331-V359 HydrophobicContact SD-CB 4.22Å; M331-V359 HydrophobicContact SD-CG2 4.18Å; Y357-V359 HydrophobicContact CD1-CG2 4.25Å; Y357-V359 HydrophobicContact CE1-CG2 4.19Å; V359-T362 HydrophobicContact CB-CG2 4.42Å; V359-T362 WeakPolarHBondContact O-CB 3.48Å; V359-T362 WeakPolarHBondContact O-CG2 3.45Å; V359-T362 PolarHBondContact O-N 3.22Å; V359-T362 PolarHBondContact O-OG1 3.43Å; V359-K365 WeakPolarHBondContact O-CB 3.12Å
360E86.4Confident93.4Very high127 Ų12736.6 Ų36.659%0.59320%0.203SC*.THydrogen-bonded Turntrans-56.3145.8173.1-72.5-62.9160.700111.7K365E360-K365 WeakPolarHBondContact OE1-CE 3.27Å; E360-K365 IonicContact OE1-NZ 3.35Å
361G86.6Confident93.3Very high58 Ų5837.7 Ų37.760%0.59821%0.21SC*.THydrogen-bonded Turntrans83.87.3-174.700000115.1Q333Q333-G361 PolarHBondContact NE2-O 3.49Å; Q333-G361 VanDerWaalsContact NE2-O 3.15Å
362T92.1Very high93.2Very high5 Ų546 Ų463%0.03125%0.249CC..SBendtrans-106.1152.8177.466.70000113.2M331 Q333 V359 A364 K365 H366M331-T362 HydrophobicContact CB-CG2 3.92Å; M331-T362 HydrophobicContact CG-CG2 4.37Å; M331-T362 HydrophobicContact SD-CG2 3.75Å; Q333-T362 HydrophobicContact CG-CG2 4.34Å; V359-T362 HydrophobicContact CB-CG2 4.42Å; V359-T362 WeakPolarHBondContact O-CB 3.48Å; V359-T362 WeakPolarHBondContact O-CG2 3.45Å; V359-T362 PolarHBondContact O-N 3.22Å; V359-T362 PolarHBondContact O-OG1 3.43Å; T362-A364 VanDerWaalsContact C-N 3.31Å; T362-A364 PolarHBondContact O-N 3.32Å; T362-K365 PolarHBondContact O-N 3.41Å; T362-K365 WeakPolarHBondContact OG1-CB 3.4Å; T362-K365 PolarHBondContact OG1-N 3.11Å; T362-H366 PolarHBondContact O-N 2.85Å
363L94.9Very high93.1Very high14 Ų1450.5 Ų50.57%0.07327%0.27CS..Hα-helixtrans-58.5-44175.4178.964.4000111.6M332 Q333 R338 F341 K365 H366 I367M332-L363 HydrophobicContact CB-CB 4.28Å; M332-L363 HydrophobicContact CB-CD2 3.96Å; M332-L363 HydrophobicContact CB-CG 4.42Å; M332-L363 HydrophobicContact CE-CD2 4.08Å; Q333-L363 VanDerWaalsContact OE1-N 3.12Å; R338-L363 VanDerWaalsContact CD-CD2 3.42Å; F341-L363 HydrophobicContact CD1-CD2 3.9Å; F341-L363 HydrophobicContact CE1-CD1 4.5Å; F341-L363 HydrophobicContact CE1-CD2 3.97Å; L363-K365 VanDerWaalsContact C-N 3.25Å; L363-K365 PolarHBondContact O-N 3.2Å; L363-H366 WeakPolarHBondContact O-CB 3.36Å; L363-H366 PolarHBondContact O-N 3.19Å; L363-H366 VanDerWaalsContact O-N 3.09Å; L363-I367 HydrophobicContact CD1-CG2 3.85Å; L363-I367 HydrophobicContact CG-CG2 4.24Å; L363-I367 PolarHBondContact O-N 2.83Å
364A95.3Very high93Very high0 Ų050.5 Ų50.50%027%0.27CS..Hα-helixtrans-59.3-36.1179.300000112.4M331 M332 I354 C358 T362 I367 M368M331-A364 HydrophobicContact CB-CB 4.44Å; M331-A364 PolarHBondContact O-N 2.65Å; M332-A364 HydrophobicContact SD-CB 4.36Å; I354-A364 HydrophobicContact CD1-CB 4.32Å; C358-A364 HydrophobicContact CB-CB 4.35Å; C358-A364 WeakPolarHBondContact SG-CB 3.46Å; T362-A364 VanDerWaalsContact C-N 3.31Å; T362-A364 PolarHBondContact O-N 3.32Å; A364-I367 WeakPolarHBondContact O-CG1 3.47Å; A364-M368 WeakPolarHBondContact O-CG 3.5Å
365K94.5Very high93Very high72 Ų7254.1 Ų54.131%0.31329%0.293SS..Hα-helixtrans-71.4-40.4173.7-173.656.7171.4176.90112.2C358 V359 E360 T362 L363 M368C358-K365 HydrophobicContact CB-CB 3.96Å; C358-K365 HydrophobicContact CB-CD 4.29Å; V359-K365 WeakPolarHBondContact O-CB 3.12Å; E360-K365 WeakPolarHBondContact OE1-CE 3.27Å; E360-K365 IonicContact OE1-NZ 3.35Å; T362-K365 PolarHBondContact O-N 3.41Å; T362-K365 WeakPolarHBondContact OG1-CB 3.4Å; T362-K365 PolarHBondContact OG1-N 3.11Å; L363-K365 VanDerWaalsContact C-N 3.25Å; L363-K365 PolarHBondContact O-N 3.2Å; K365-M368 HydrophobicContact CD-SD 4.32Å; K365-M368 PolarHBondContact O-N 2.76Å
366H94.8Very high93Very high90 Ų9054.3 Ų54.342%0.41729%0.294SS..Hα-helixtrans-62.2-44.8179.7178.452.5000112.8T362 L363 M368 S369T362-H366 PolarHBondContact O-N 2.85Å; L363-H366 WeakPolarHBondContact O-CB 3.36Å; L363-H366 PolarHBondContact O-N 3.19Å; L363-H366 VanDerWaalsContact O-N 3.09Å; H366-M368 PolarHBondContact O-N 2.99Å; H366-S369 WeakPolarHBondContact O-CB 3.41Å; H366-S369 PolarHBondContact O-N 2.99Å; H366-S369 PolarHBondContact O-OG 2.76Å
367I96.5Very high93.1Very high0 Ų056.8 Ų56.80%030%0.298CS..Hα-helixtrans-68.2-19.5-176.963.6173.7000113.6M332 F341 V352 I354 L363 A364 S369 E370 I374 L384 V388M332-I367 HydrophobicContact SD-CD1 4.28Å; F341-I367 HydrophobicContact CE1-CG2 4.43Å; F341-I367 HydrophobicContact CE2-CD1 4.17Å; F341-I367 HydrophobicContact CZ-CD1 4.44Å; F341-I367 HydrophobicContact CZ-CG2 3.81Å; V352-I367 HydrophobicContact CG1-CD1 4.14Å; I354-I367 HydrophobicContact CD1-CD1 4.16Å; I354-I367 HydrophobicContact CG1-CD1 4.39Å; L363-I367 HydrophobicContact CD1-CG2 3.85Å; L363-I367 HydrophobicContact CG-CG2 4.24Å; L363-I367 PolarHBondContact O-N 2.83Å; A364-I367 WeakPolarHBondContact O-CG1 3.47Å; I367-S369 PolarHBondContact O-N 3.03Å; I367-E370 PolarHBondContact O-N 3.45Å; I367-E370 VanDerWaalsContact O-N 3.08Å; I367-I374 HydrophobicContact CG2-CG2 4.09Å; I367-L384 HydrophobicContact CB-CD2 4.4Å; I367-L384 HydrophobicContact CG2-CD2 4.42Å; I367-V388 HydrophobicContact CD1-CG1 4.11Å; I367-V388 HydrophobicContact CG1-CG1 4.1Å
368M93.9Very high93.2Very high56 Ų5659.1 Ų59.128%0.27632%0.322SS..THydrogen-bonded Turntrans-66.4-17.6172.6-66179.4-168.100113I354 C358 A364 K365 H366 E370 Y390I354-M368 HydrophobicContact CB-CE 4.1Å; I354-M368 HydrophobicContact CG1-CE 4.46Å; I354-M368 HydrophobicContact CG2-CE 3.52Å; C358-M368 HydrophobicContact CB-CE 3.77Å; C358-M368 WeakPolarHBondContact SG-CE 3.44Å; A364-M368 WeakPolarHBondContact O-CG 3.5Å; K365-M368 HydrophobicContact CD-SD 4.32Å; K365-M368 PolarHBondContact O-N 2.76Å; H366-M368 PolarHBondContact O-N 2.99Å; M368-E370 PolarHBondContact O-N 2.86Å; M368-Y390 HydrophobicContact CE-CD2 3.51Å; M368-Y390 HydrophobicContact CE-CE2 3.81Å; M368-Y390 HydrophobicContact CE-CG 4.3Å; M368-Y390 HydrophobicContact SD-CD2 4.32Å
369S93.5Very high93.3Very high84 Ų8461.4 Ų61.459%0.58735%0.347SS*.THydrogen-bonded Turntrans-83.23.6173.268.70000113.7H366 I367H366-S369 WeakPolarHBondContact O-CB 3.41Å; H366-S369 PolarHBondContact O-N 2.99Å; H366-S369 PolarHBondContact O-OG 2.76Å; I367-S369 PolarHBondContact O-N 3.03Å
370E93.1Very high93.7Very high165 Ų16566.7 Ų66.777%0.77137%0.371SS*.  trans52.156.7-178.9-60.9-178.1-117.900113.5I367 M368I367-E370 PolarHBondContact O-N 3.45Å; I367-E370 VanDerWaalsContact O-N 3.08Å; M368-E370 PolarHBondContact O-N 2.86Å
371P96.3Very high94.2Very high23 Ų2366.7 Ų66.715%0.14937%0.369CS..  trans-66.7148.6178.330.9-36.4000111.5E373 I374 L384P371-E373 VanDerWaalsContact C-N 3.31Å; P371-E373 PolarHBondContact O-N 3.33Å; P371-I374 HydrophobicContact CG-CG2 4.16Å; P371-L384 HydrophobicContact CG-CD2 3.93Å; P371-L384 WeakPolarHBondContact O-CB 3.33Å
372E96.1Very high94.7Very high176 Ų17665.2 Ų65.282%0.82235%0.347SS*.SBendtrans-66.4-34.2176.5-65.1-176.517600112.5P383 L384E372-P383 WeakPolarHBondContact O-CA 3.45Å; E372-L384 PolarHBondContact O-N 2.99Å
373E96.3Very high94.9Very high94 Ų9467.3 Ų67.344%0.43936%0.361SS..EExtended strand (participates in β ladder)trans-136147.9-179.3-61.7-175.113800110.9P371 K381 L382P371-E373 VanDerWaalsContact C-N 3.31Å; P371-E373 PolarHBondContact O-N 3.33Å; E373-K381 WeakPolarHBondContact OE2-CD 3.47Å; E373-K381 IonicContact OE2-NZ 3.66Å; E373-L382 CarbonylContact C-O 3.39Å; E373-L382 VanDerWaalsContact CA-O 3.25Å; E373-L382 WeakPolarHBondContact CA-O 3.38Å
374I96.9Very high95.1Very high0 Ų067.9 Ų67.90%036%0.364CS..EExtended strand (participates in β ladder)trans-113.5152.8170.561.188.1000110.3F341 I367 P371 T376 K381 L382 L384F341-I374 HydrophobicContact CE1-CB 4.42Å; F341-I374 HydrophobicContact CE1-CD1 4.04Å; F341-I374 HydrophobicContact CE1-CG1 3.89Å; F341-I374 HydrophobicContact CE1-CG2 4.32Å; F341-I374 HydrophobicContact CZ-CG1 4.45Å; F341-I374 HydrophobicContact CZ-CG2 4.34Å; I367-I374 HydrophobicContact CG2-CG2 4.09Å; P371-I374 HydrophobicContact CG-CG2 4.16Å; I374-T376 HydrophobicContact CD1-CG2 4.45Å; I374-K381 WeakPolarHBondContact O-CA 3.36Å; I374-L382 HydrophobicContact CD1-CB 3.95Å; I374-L382 HydrophobicContact CD1-CD1 4.31Å; I374-L382 HydrophobicContact CD1-CG 4.49Å; I374-L382 HydrophobicContact CG1-CB 4.26Å; I374-L382 PolarHBondContact N-O 2.85Å; I374-L382 PolarHBondContact O-N 3.36Å; I374-L384 HydrophobicContact CG2-CB 4.36Å; I374-L384 HydrophobicContact CG2-CD2 4.32Å
375T96.4Very high95.2Very high78 Ų7874 Ų7448%0.47939%0.391SS..EExtended strand (participates in β ladder)trans-95.1127.1174.7-52.60000109.9R338 Q380R338-T375 PolarHBondContact NH2-O 3.48Å; T375-Q380 CarbonylContact C-O 3.49Å; T375-Q380 WeakPolarHBondContact CA-O 3.22Å
376T94.6Very high95.4Very high7 Ų770.9 Ų70.94%0.04338%0.377CS..  trans-74.6165.9176.767.90000111.7E342 I374 S378 G379 Q380 L382E342-T376 HydrophobicContact CG-CG2 4.2Å; E342-T376 WeakPolarHBondContact OE1-CA 3.4Å; E342-T376 WeakPolarHBondContact OE1-CB 3.22Å; E342-T376 WeakPolarHBondContact OE2-CB 3.29Å; I374-T376 HydrophobicContact CD1-CG2 4.45Å; T376-S378 PolarHBondContact O-N 2.83Å; T376-S378 PolarHBondContact OG1-N 3.43Å; T376-S378 PolarHBondContact OG1-OG 2.97Å; T376-G379 PolarHBondContact O-N 3.45Å; T376-G379 PolarHBondContact OG1-N 2.92Å; T376-Q380 HydrophobicContact CG2-CB 4.16Å; T376-Q380 PolarHBondContact N-O 3.45Å; T376-Q380 WeakPolarHBondContact OG1-CB 3.32Å; T376-Q380 PolarHBondContact OG1-N 3.1Å; T376-Q380 PolarHBondContact OG1-O 3.27Å; T376-L382 HydrophobicContact CG2-CD1 3.44Å; T376-L382 VanDerWaalsContact CG2-CD1 3.44Å; T376-L382 HydrophobicContact CG2-CG 3.61Å
377M90.4Very high95.5Very high79 Ų7968.2 Ų68.239%0.38937%0.369SS..THydrogen-bonded Turntrans-59.8-28.1172.2-64.8-175.169.800112.9N115 R338 E342 G379N115-M377 HydrophobicContact CB-CE 4.46Å; N115-M377 VanDerWaalsContact ND2-CE 3.35Å; N115-M377 WeakPolarHBondContact ND2-CE 3.13Å; R338-M377 HydrophobicContact CB-SD 4.36Å; R338-M377 HydrophobicContact CG-CG 3.78Å; R338-M377 HydrophobicContact CG-SD 3.55Å; R338-M377 VanDerWaalsContact CG-SD 3.55Å; E342-M377 PolarHBondContact OE1-N 3.39Å; M377-G379 VanDerWaalsContact C-N 3.3Å
378S91.4Very high95.6Very high101 Ų10170 Ų7071%0.70638%0.38SS*.THydrogen-bonded Turntrans-82.4-2.317559.30000114.3T376T376-S378 PolarHBondContact O-N 2.83Å; T376-S378 PolarHBondContact OG1-N 3.43Å; T376-S378 PolarHBondContact OG1-OG 2.97Å
379G92.2Very high95.8Very high54 Ų5469.8 Ų69.856%0.55738%0.38SS*.SBendtrans85.84.4-179.200000115.1T376 M377T376-G379 PolarHBondContact O-N 3.45Å; T376-G379 PolarHBondContact OG1-N 2.92Å; M377-G379 VanDerWaalsContact C-N 3.3Å
380Q94.9Very high95.9Very high117 Ų11769.8 Ų69.855%0.54737%0.367SS..  trans-74153.1173.1-178.8176.5-10.500110.6T375 T376T375-Q380 CarbonylContact C-O 3.49Å; T375-Q380 WeakPolarHBondContact CA-O 3.22Å; T376-Q380 HydrophobicContact CG2-CB 4.16Å; T376-Q380 PolarHBondContact N-O 3.45Å; T376-Q380 WeakPolarHBondContact OG1-CB 3.32Å; T376-Q380 PolarHBondContact OG1-N 3.1Å; T376-Q380 PolarHBondContact OG1-O 3.27Å
381K96.6Very high96Very high127 Ų12761.9 Ų61.955%0.55233%0.331SS*.EExtended strand (participates in β ladder)trans-97.8133.2169.3-63.8-162.4176.5-167.30111.7E373 I374E373-K381 WeakPolarHBondContact OE2-CD 3.47Å; E373-K381 IonicContact OE2-NZ 3.66Å; I374-K381 WeakPolarHBondContact O-CA 3.36Å
382L97.3Very high95.8Very high27 Ų2761.6 Ų61.614%0.14133%0.329CS..EExtended strand (participates in β ladder)trans-121.9139.1175.1-64.2178.2000110.4E342 T346 E373 I374 T376E342-L382 HydrophobicContact CB-CD1 4.21Å; E342-L382 WeakPolarHBondContact O-CD1 3.27Å; T346-L382 HydrophobicContact CG2-CB 4.19Å; T346-L382 HydrophobicContact CG2-CD2 4.33Å; E373-L382 CarbonylContact C-O 3.39Å; E373-L382 VanDerWaalsContact CA-O 3.25Å; E373-L382 WeakPolarHBondContact CA-O 3.38Å; I374-L382 HydrophobicContact CD1-CB 3.95Å; I374-L382 HydrophobicContact CD1-CD1 4.31Å; I374-L382 HydrophobicContact CD1-CG 4.49Å; I374-L382 HydrophobicContact CG1-CB 4.26Å; I374-L382 PolarHBondContact N-O 2.85Å; I374-L382 PolarHBondContact O-N 3.36Å; T376-L382 HydrophobicContact CG2-CD1 3.44Å; T376-L382 VanDerWaalsContact CG2-CD1 3.44Å; T376-L382 HydrophobicContact CG2-CG 3.61Å
383P97.8Very high95.6Very high49 Ų4953.9 Ų53.932%0.31829%0.292SS..EExtended strand (participates in β ladder)trans-71.5131.617629.2-34.5000111T346 E372 K385T346-P383 HydrophobicContact CG2-CG 4.05Å; E372-P383 WeakPolarHBondContact O-CA 3.45Å; P383-K385 PolarHBondContact O-N 2.98Å
384L98.1Very high94.9Very high27 Ų2749.7 Ų49.714%0.14127%0.274CS..  trans-85.5104.5176-176.460.5000109.8F341 C345 I367 P371 E372 I374 M386 V388F341-L384 HydrophobicContact CE2-CD1 4.03Å; F341-L384 HydrophobicContact CZ-CD1 3.75Å; C345-L384 HydrophobicContact CB-CD1 4.07Å; I367-L384 HydrophobicContact CB-CD2 4.4Å; I367-L384 HydrophobicContact CG2-CD2 4.42Å; P371-L384 HydrophobicContact CG-CD2 3.93Å; P371-L384 WeakPolarHBondContact O-CB 3.33Å; E372-L384 PolarHBondContact O-N 2.99Å; I374-L384 HydrophobicContact CG2-CB 4.36Å; I374-L384 HydrophobicContact CG2-CD2 4.32Å; L384-M386 HydrophobicContact CD1-CG 3.87Å; L384-V388 HydrophobicContact CD1-CG2 4.46Å; L384-V388 HydrophobicContact CD2-CG2 4.24Å
385K97.8Very high94.5Very high127 Ų12750.7 Ų50.755%0.55228%0.282SS*.  trans-116.6-22179.6-63-170-173.4166.20114.1C345 T346 K348 P383C345-K385 PolarHBondContact O-N 2.79Å; T346-K385 WeakPolarHBondContact O-CD 3.32Å; K348-K385 WeakPolarHBondContact CA-O 3.16Å; K348-K385 HydrophobicContact CB-CB 4.39Å; P383-K385 PolarHBondContact O-N 2.98Å
386M98.2Very high94.4Very high8 Ų847.7 Ų47.74%0.03926%0.263CS..SBendtrans-64.1153175.974-176.3-53.100111.1F341 C345 N350 V352 L384F341-M386 HydrophobicContact CD2-SD 3.53Å; F341-M386 VanDerWaalsContact CD2-SD 3.53Å; F341-M386 HydrophobicContact CE2-CG 4.49Å; F341-M386 HydrophobicContact CE2-SD 3.47Å; F341-M386 WeakPolarHBondContact CE2-SD 3.43Å; C345-M386 VanDerWaalsContact CA-SD 3.52Å; C345-M386 HydrophobicContact CB-CG 4.41Å; C345-M386 HydrophobicContact CB-SD 3.92Å; C345-M386 PolarHBondContact O-N 2.92Å; N350-M386 HydrophobicContact CB-CB 4.02Å; N350-M386 HydrophobicContact CB-CE 4.1Å; V352-M386 HydrophobicContact CB-CE 3.62Å; V352-M386 HydrophobicContact CB-SD 4.24Å; V352-M386 HydrophobicContact CG1-CE 4Å; V352-M386 HydrophobicContact CG1-CG 4.45Å; V352-M386 HydrophobicContact CG1-SD 4.07Å; L384-M386 HydrophobicContact CD1-CG 3.87Å
387S98.2Very high94.4Very high33 Ų3347.4 Ų47.423%0.23126%0.261CS..EExtended strand (participates in β ladder)trans-70144.5173.971.70000111R232 N350 G351 V352 D389R232-S387 PolarHBondContact NH2-OG 3.07Å; N350-S387 PolarHBondContact O-N 3.28Å; N350-S387 VanDerWaalsContact O-N 3.11Å; G351-S387 CarbonylContact C-O 3.45Å; G351-S387 WeakPolarHBondContact CA-O 3.5Å; G351-S387 WeakPolarHBondContact CA-OG 3.34Å; V352-S387 WeakPolarHBondContact CG1-O 3.48Å; V352-S387 PolarHBondContact N-O 3.43Å; S387-D389 PolarHBondContact OG-OD2 3.48Å; S387-D389 VanDerWaalsContact OG-OD2 3.13Å
388V98Very high94.6Very high38 Ų3844 Ų4423%0.2324%0.244CC..EExtended strand (participates in β ladder)trans-120.7114.1175.5-177.90000107.7V352 I367 L384V352-V388 HydrophobicContact CG1-CB 4.16Å; V352-V388 HydrophobicContact CG1-CG1 4.16Å; V352-V388 HydrophobicContact CG1-CG2 3.78Å; I367-V388 HydrophobicContact CD1-CG1 4.11Å; I367-V388 HydrophobicContact CG1-CG1 4.1Å; L384-V388 HydrophobicContact CD1-CG2 4.46Å; L384-V388 HydrophobicContact CD2-CG2 4.24Å
389D97.6Very high94.9Very high52 Ų5242.3 Ų42.328%0.27822%0.223SC..EExtended strand (participates in β ladder)trans-120.8129.9-175.4-68.6-81.9000110T225 V352 I353 I354 S387T225-D389 HydrophobicContact CG2-CB 3.98Å; V352-D389 PolarHBondContact O-N 3.17Å; I353-D389 CarbonylContact C-O 3.58Å; I353-D389 WeakPolarHBondContact CA-O 3.39Å; I353-D389 HydrophobicContact CG1-CB 4.46Å; I354-D389 PolarHBondContact N-O 2.97Å; S387-D389 PolarHBondContact OG-OD2 3.48Å; S387-D389 VanDerWaalsContact OG-OD2 3.13Å
390Y95.4Very high95.1Very high83 Ų8345.7 Ų45.733%0.32522%0.224SC..EExtended strand (participates in β ladder)trans-106.9118.1177-179.3-109000111.3Y207 R221 I354 G356 M368 S392Y207-Y390 PolarHBondContact OH-OH 3.46Å; R221-Y390 PolarHBondContact NH1-O 3.16Å; I354-Y390 HydrophobicContact CB-CD2 4.03Å; I354-Y390 HydrophobicContact CG2-CD2 3.98Å; I354-Y390 HydrophobicContact CG2-CE2 4.29Å; I354-Y390 WeakPolarHBondContact O-CD2 3.4Å; G356-Y390 WeakPolarHBondContact O-CE2 3.23Å; M368-Y390 HydrophobicContact CE-CD2 3.51Å; M368-Y390 HydrophobicContact CE-CE2 3.81Å; M368-Y390 HydrophobicContact CE-CG 4.3Å; M368-Y390 HydrophobicContact SD-CD2 4.32Å; Y390-S392 WeakPolarHBondContact OH-CB 3.48Å; Y390-S392 PolarHBondContact OH-OG 3.47Å
391I95Very high95.2Very high0 Ų040.8 Ų40.80%020%0.201CC..  trans-136.494.7-177.6-48.9-179.3000108.4R218 R221 F222 I353 I354 A355 F393R218-I391 HydrophobicContact CG-CG2 3.77Å; R221-I391 HydrophobicContact CG-CD1 4.25Å; F222-I391 HydrophobicContact CB-CD1 4.29Å; F222-I391 HydrophobicContact CB-CG2 4.27Å; F222-I391 HydrophobicContact CD2-CD1 4.49Å; I353-I391 HydrophobicContact CG2-CB 4.42Å; I353-I391 HydrophobicContact CG2-CD1 4.03Å; I353-I391 HydrophobicContact CG2-CG1 4.2Å; I354-I391 PolarHBondContact O-N 3.33Å; A355-I391 WeakPolarHBondContact CA-O 2.98Å; I391-F393 HydrophobicContact CB-CE2 4.49Å; I391-F393 HydrophobicContact CG2-CD2 4.27Å; I391-F393 HydrophobicContact CG2-CE2 3.7Å; I391-F393 WeakPolarHBondContact O-CD2 3.27Å; I391-F393 PolarHBondContact O-N 3.04Å
392S91.8Very high95.2Very high16 Ų1634.8 Ų34.811%0.11218%0.175CC..  trans-72.1112.1-168.2-168.10000113.5Y207 R218 Y390 S394Y207-S392 PolarHBondContact OH-OG 2.7Å; R218-S392 WeakPolarHBondContact CD-O 3.13Å; R218-S392 PolarHBondContact NE-O 3.38Å; Y390-S392 WeakPolarHBondContact OH-CB 3.48Å; Y390-S392 PolarHBondContact OH-OG 3.47Å; S392-S394 PolarHBondContact OG-OG 2.72Å
393F92.4Very high95.2Very high14 Ų1433.7 Ų33.76%0.06117%0.17CC..  trans-105.622.3165.6-74.5-92000111.9R218 E219 F222 R245 L249 I252 A355 I391 A395R218-F393 HydrophobicContact CG-CE1 4.14Å; R218-F393 HydrophobicContact CG-CE2 3.89Å; R218-F393 HydrophobicContact CG-CZ 3.68Å; E219-F393 HydrophobicContact CG-CE1 4.26Å; E219-F393 HydrophobicContact CG-CZ 4.49Å; F222-F393 HydrophobicContact CB-CE2 3.78Å; F222-F393 HydrophobicContact CB-CZ 3.88Å; F222-F393 HydrophobicContact CD1-CZ 4.48Å; F222-F393 AromaticContact CD2-CE2 3.99Å; F222-F393 HydrophobicContact CD2-CE2 3.99Å; F222-F393 AromaticContact CG-CE2 3.86Å; F222-F393 HydrophobicContact CG-CE2 3.86Å; F222-F393 HydrophobicContact CG-CZ 4.11Å; R245-F393 WeakPolarHBondContact CD-O 3.4Å; R245-F393 VanDerWaalsContact CG-O 3.31Å; R245-F393 WeakPolarHBondContact CG-O 3.42Å; L249-F393 HydrophobicContact CD2-CB 4.27Å; L249-F393 HydrophobicContact CD2-CD1 4.08Å; L249-F393 HydrophobicContact CD2-CD2 3.68Å; L249-F393 HydrophobicContact CD2-CE1 4.31Å; L249-F393 HydrophobicContact CD2-CE2 3.93Å; L249-F393 HydrophobicContact CD2-CG 3.75Å; L249-F393 HydrophobicContact CD2-CZ 4.23Å; I252-F393 HydrophobicContact CD1-CD1 4.32Å; I252-F393 HydrophobicContact CD1-CE1 3.58Å; I252-F393 HydrophobicContact CD1-CZ 4.07Å; A355-F393 HydrophobicContact CB-CD2 4.36Å; A355-F393 WeakPolarHBondContact O-CA 3.09Å; A355-F393 PolarHBondContact O-N 3.5Å; I391-F393 HydrophobicContact CB-CE2 4.49Å; I391-F393 HydrophobicContact CG2-CD2 4.27Å; I391-F393 HydrophobicContact CG2-CE2 3.7Å; I391-F393 WeakPolarHBondContact O-CD2 3.27Å; I391-F393 PolarHBondContact O-N 3.04Å; F393-A395 PolarHBondContact O-N 3.41Å
394S81.6Confident95.2Very high6 Ų635.2 Ų35.24%0.04217%0.173CC..  trans-62.2-15.1-173.3-45.90000113.9H158 Y207 G356 Y357 S392 H396H158-S394 PolarHBondContact CE1-O 3.08Å; H158-S394 VanDerWaalsContact CE1-O 3.31Å; H158-S394 PolarHBondContact ND1-O 2.97Å; Y207-S394 PolarHBondContact OH-OG 3.43Å; G356-S394 VanDerWaalsContact C-OG 3.31Å; G356-S394 WeakPolarHBondContact CA-OG 3.18Å; Y357-S394 PolarHBondContact N-OG 3.23Å; S392-S394 PolarHBondContact OG-OG 2.72Å; S394-H396 VanDerWaalsContact CB-CD2 3.46Å; S394-H396 WeakPolarHBondContact CB-CD2 3.36Å; S394-H396 PolarHBondContact O-CD2 3.27Å; S394-H396 PolarHBondContact O-N 3.25Å; S394-H396 PolarHBondContact O-NE2 3.06Å
395A89Confident95.3Very high22 Ų2233.9 Ų33.918%0.18217%0.166CC..  trans54.644.2174.600000114.4H158 S181 F393H158-A395 PolarHBondContact ND1-O 2.96Å; S181-A395 WeakPolarHBondContact CB-O 3.45Å; S181-A395 PolarHBondContact OG-O 3.31Å; F393-A395 PolarHBondContact O-N 3.41Å
396H94.3Very high95.3Very high14 Ų1427.9 Ų27.97%0.06514%0.14CC..  trans-102.7164.3167.4-61.4-87.7000110.3H158 D179 F180 E204 T206 Y207 H212 S394H158-H396 AromaticContact CE1-CE1 3.57Å; H158-H396 AromaticContact CE1-NE2 3.74Å; D179-H396 IonicContact OD2-CE1 3.99Å; D179-H396 PolarHBondContact OD2-CE1 2.95Å; D179-H396 VanDerWaalsContact OD2-CE1 3.28Å; D179-H396 IonicContact OD2-ND1 2.65Å; F180-H396 CarbonylContact O-C 3.53Å; F180-H396 WeakPolarHBondContact O-CA 3.37Å; E204-H396 IonicContact OE1-CG 3.5Å; E204-H396 IonicContact OE1-ND1 3.36Å; E204-H396 PolarHBondContact OE1-ND1 3.19Å; E204-H396 IonicContact OE2-CE1 2.74Å; E204-H396 IonicContact OE2-CG 3.67Å; E204-H396 IonicContact OE2-ND1 2.67Å; E204-H396 PolarHBondContact OE2-ND1 3.23Å; T206-H396 PolarHBondContact OG1-ND1 3.45Å; Y207-H396 HydrophobicContact CD2-CB 3.67Å; Y207-H396 AromaticContact CD2-CD2 3.89Å; Y207-H396 AromaticContact CD2-CG 3.99Å; Y207-H396 HydrophobicContact CE2-CB 4.28Å; Y207-H396 AromaticContact CE2-CD2 3.63Å; H212-H396 PolarHBondContact NE2-O 2.94Å; S394-H396 VanDerWaalsContact CB-CD2 3.46Å; S394-H396 WeakPolarHBondContact CB-CD2 3.36Å; S394-H396 PolarHBondContact O-CD2 3.27Å; S394-H396 PolarHBondContact O-N 3.25Å; S394-H396 PolarHBondContact O-NE2 3.06Å
397T95.3Very high95.2Very high2 Ų233 Ų331%0.01216%0.159CC..  trans-69.7142.2171.854.70000113.4F180 R182 Y207 Q401 T402F180-T397 HydrophobicContact CD1-CG2 4.2Å; F180-T397 HydrophobicContact CD2-CG2 3.89Å; F180-T397 HydrophobicContact CE1-CG2 3.8Å; F180-T397 VanDerWaalsContact CE1-OG1 3.29Å; F180-T397 WeakPolarHBondContact CE1-OG1 3.4Å; F180-T397 HydrophobicContact CE2-CG2 3.47Å; F180-T397 VanDerWaalsContact CE2-CG2 3.47Å; F180-T397 HydrophobicContact CG-CG2 4.23Å; F180-T397 HydrophobicContact CZ-CG2 3.41Å; F180-T397 VanDerWaalsContact CZ-CG2 3.41Å; F180-T397 WeakPolarHBondContact CZ-OG1 3.32Å; F180-T397 PolarHBondContact O-N 3.31Å; F180-T397 VanDerWaalsContact O-N 3.14Å; R182-T397 HydrophobicContact CB-CG2 4.17Å; R182-T397 HydrophobicContact CG-CG2 3.92Å; Y207-T397 WeakPolarHBondContact CB-O 3.38Å; T397-Q401 VanDerWaalsContact CA-OE1 3.29Å; T397-Q401 HydrophobicContact CG2-CB 3.81Å; T397-T402 PolarHBondContact OG1-OG1 3.02Å
398D94.4Very high95.2Very high7 Ų733.6 Ų33.64%0.03717%0.165CC..BIsolated β-bridgetrans-86.9176.916567.315.7000112H210 H212 Q400 Q401 T402H210-D398 WeakPolarHBondContact O-CB 3.46Å; H212-D398 VanDerWaalsContact CD2-CB 3.49Å; H212-D398 WeakPolarHBondContact CD2-CB 3.32Å; H212-D398 IonicContact CD2-OD2 3.18Å; H212-D398 IonicContact CG-OD2 3.47Å; H212-D398 PolarHBondContact N-OD2 3.44Å; D398-Q400 VanDerWaalsContact C-N 3.28Å; D398-Q400 PolarHBondContact O-N 2.99Å; D398-Q400 PolarHBondContact OD1-N 2.78Å; D398-Q401 VanDerWaalsContact N-OE1 3.09Å; D398-Q401 PolarHBondContact O-N 2.7Å; D398-Q401 WeakPolarHBondContact OD1-CB 3.31Å; D398-Q401 VanDerWaalsContact OD1-CG 3.24Å; D398-Q401 WeakPolarHBondContact OD1-CG 3.37Å; D398-Q401 PolarHBondContact OD1-N 3.16Å; D398-T402 PolarHBondContact O-N 2.65Å; D398-T402 PolarHBondContact O-OG1 3.09Å
399Y96.6Very high95.2Very high66 Ų6631.9 Ų31.926%0.25916%0.155SC..Hα-helixtrans-54-43.2-179.6176.7-107000112.9G208 H210 Q401 T402 S403 L427 A430 E434G208-Y399 VanDerWaalsContact O-CB 3.32Å; G208-Y399 WeakPolarHBondContact O-CB 2.95Å; G208-Y399 VanDerWaalsContact O-CD2 3.28Å; G208-Y399 WeakPolarHBondContact O-CD2 3.46Å; H210-Y399 PolarHBondContact O-N 3.3Å; H210-Y399 VanDerWaalsContact O-N 3.08Å; Y399-Q401 PolarHBondContact O-N 2.69Å; Y399-T402 PolarHBondContact O-N 2.81Å; Y399-S403 WeakPolarHBondContact O-CB 3.49Å; Y399-S403 PolarHBondContact O-N 3.47Å; Y399-L427 HydrophobicContact CD2-CD1 3.9Å; Y399-L427 HydrophobicContact CE2-CD1 4.21Å; Y399-A430 HydrophobicContact CD2-CB 4.49Å; Y399-A430 HydrophobicContact CE2-CB 3.62Å; Y399-E434 PolarHBondContact OH-OE2 3.02Å
400Q96Very high95.2Very high125 Ų12533.9 Ų33.958%0.58416%0.161SC*.Hα-helixtrans-63.8-44.1-177.6178.9176.1-18.200110.9I211 D398 E404I211-Q400 HydrophobicContact CD1-CB 4.31Å; D398-Q400 VanDerWaalsContact C-N 3.28Å; D398-Q400 PolarHBondContact O-N 2.99Å; D398-Q400 PolarHBondContact OD1-N 2.78Å; Q400-E404 VanDerWaalsContact O-CB 3.29Å; Q400-E404 WeakPolarHBondContact O-CB 3.08Å; Q400-E404 PolarHBondContact O-N 3.34Å
401Q97.1Very high95.3Very high14 Ų1429.9 Ų29.97%0.06515%0.146CC..Hα-helixtrans-69.1-43178.9-70.1173-3500112.5R182 T397 D398 Y399 E404 F405R182-Q401 HydrophobicContact CB-CB 4.15Å; R182-Q401 HydrophobicContact CB-CG 4.14Å; T397-Q401 VanDerWaalsContact CA-OE1 3.29Å; T397-Q401 HydrophobicContact CG2-CB 3.81Å; D398-Q401 VanDerWaalsContact N-OE1 3.09Å; D398-Q401 PolarHBondContact O-N 2.7Å; D398-Q401 WeakPolarHBondContact OD1-CB 3.31Å; D398-Q401 VanDerWaalsContact OD1-CG 3.24Å; D398-Q401 WeakPolarHBondContact OD1-CG 3.37Å; D398-Q401 PolarHBondContact OD1-N 3.16Å; Y399-Q401 PolarHBondContact O-N 2.69Å; Q401-E404 PolarHBondContact O-N 3.41Å; Q401-F405 WeakPolarHBondContact O-CB 3.35Å; Q401-F405 PolarHBondContact O-N 2.7Å
402T98.1Very high95.4Very high1 Ų132.5 Ų32.51%0.00616%0.162CC..Hα-helixtrans-61.8-47175.3-51.90000110.6I203 T397 D398 Y399 F405 I406 L427I203-T402 HydrophobicContact CD1-CG2 3.88Å; T397-T402 PolarHBondContact OG1-OG1 3.02Å; D398-T402 PolarHBondContact O-N 2.65Å; D398-T402 PolarHBondContact O-OG1 3.09Å; Y399-T402 PolarHBondContact O-N 2.81Å; T402-F405 PolarHBondContact O-N 3.42Å; T402-I406 HydrophobicContact CG2-CD1 4.02Å; T402-I406 WeakPolarHBondContact O-CG1 3.45Å; T402-I406 PolarHBondContact O-N 3.48Å; T402-L427 HydrophobicContact CG2-CD1 4.46Å
403S97.6Very high95.8Very high4 Ų433.4 Ų33.43%0.02817%0.165CC..Hα-helixtrans-61.7-45.4177.4169.90000111.7Y399 F405 I406 R407 E434Y399-S403 WeakPolarHBondContact O-CB 3.49Å; Y399-S403 PolarHBondContact O-N 3.47Å; S403-F405 VanDerWaalsContact C-N 3.33Å; S403-F405 PolarHBondContact O-N 3.21Å; S403-I406 PolarHBondContact O-N 3.3Å; S403-R407 VanDerWaalsContact O-CB 3.26Å; S403-R407 WeakPolarHBondContact O-CB 3.42Å; S403-R407 PolarHBondContact O-N 3.36Å; S403-R407 PolarHBondContact OG-NH2 3.17Å; S403-E434 PolarHBondContact OG-OE1 3.4Å; S403-E434 PolarHBondContact OG-OE2 3.26Å
404E97.9Very high96.1Very high80 Ų8032.7 Ų32.737%0.37416%0.162SC..Hα-helixtrans-58.8-43.7175.2-174.6-170.414900112.1R182 Q400 Q401 R407 A408R182-E404 IonicContact NH2-OE1 3.53Å; Q400-E404 VanDerWaalsContact O-CB 3.29Å; Q400-E404 WeakPolarHBondContact O-CB 3.08Å; Q400-E404 PolarHBondContact O-N 3.34Å; Q401-E404 PolarHBondContact O-N 3.41Å; E404-R407 PolarHBondContact O-N 3.01Å; E404-A408 PolarHBondContact O-N 2.92Å
405F98.5Very high96.9Very high0 Ų032.4 Ų32.40%016%0.16CC..Hα-helixtrans-62.6-47.4179.2-168.4-100.4000111.9M164 L175 T177 F180 E192 I193 L201 I203 Q401 T402 S403 R407 A408 L409M164-F405 HydrophobicContact CE-CE2 4.26Å; M164-F405 HydrophobicContact CE-CZ 4.07Å; M164-F405 HydrophobicContact SD-CE2 4.43Å; M164-F405 HydrophobicContact SD-CZ 3.92Å; L175-F405 HydrophobicContact CD2-CE1 4.23Å; L175-F405 HydrophobicContact CD2-CZ 4.08Å; T177-F405 HydrophobicContact CG2-CE1 4.12Å; F180-F405 HydrophobicContact CE2-CB 4.38Å; F180-F405 HydrophobicContact CE2-CD1 4.23Å; F180-F405 AromaticContact CE2-CD2 3.94Å; F180-F405 HydrophobicContact CE2-CD2 3.94Å; F180-F405 HydrophobicContact CE2-CE1 4.49Å; F180-F405 HydrophobicContact CE2-CE2 4.23Å; F180-F405 AromaticContact CE2-CG 3.93Å; F180-F405 HydrophobicContact CE2-CG 3.93Å; F180-F405 HydrophobicContact CE2-CZ 4.49Å; F180-F405 HydrophobicContact CZ-CB 4.5Å; F180-F405 HydrophobicContact CZ-CD1 4.28Å; F180-F405 HydrophobicContact CZ-CG 4.26Å; E192-F405 WeakPolarHBondContact O-CE2 3.33Å; I193-F405 HydrophobicContact CG1-CD2 3.97Å; I193-F405 HydrophobicContact CG1-CE2 4.11Å; L201-F405 HydrophobicContact CD1-CE1 4.15Å; L201-F405 HydrophobicContact CD2-CD1 4.32Å; L201-F405 HydrophobicContact CD2-CE1 4.38Å; I203-F405 HydrophobicContact CD1-CD1 3.97Å; Q401-F405 WeakPolarHBondContact O-CB 3.35Å; Q401-F405 PolarHBondContact O-N 2.7Å; T402-F405 PolarHBondContact O-N 3.42Å; S403-F405 VanDerWaalsContact C-N 3.33Å; S403-F405 PolarHBondContact O-N 3.21Å; F405-R407 VanDerWaalsContact C-N 3.33Å; F405-R407 PolarHBondContact O-N 3.15Å; F405-A408 PolarHBondContact O-N 3.2Å; F405-L409 HydrophobicContact CD1-CD1 3.92Å; F405-L409 HydrophobicContact CE1-CD1 3.41Å; F405-L409 VanDerWaalsContact CE1-CD1 3.41Å; F405-L409 HydrophobicContact CE2-CD1 4.41Å; F405-L409 HydrophobicContact CZ-CD1 3.7Å; F405-L409 PolarHBondContact O-N 2.81Å
406I98.3Very high97.4Very high1 Ų131.4 Ų31.41%0.00515%0.151CC..Hα-helixtrans-63.4-41176.4-66.1168.6000110.5L201 I203 T402 S403 A408 L409 K410 V414 L431 Y435 I443L201-I406 HydrophobicContact CD2-CG1 3.91Å; I203-I406 HydrophobicContact CD1-CG1 4.35Å; T402-I406 HydrophobicContact CG2-CD1 4.02Å; T402-I406 WeakPolarHBondContact O-CG1 3.45Å; T402-I406 PolarHBondContact O-N 3.48Å; S403-I406 PolarHBondContact O-N 3.3Å; I406-A408 VanDerWaalsContact C-N 3.32Å; I406-A408 PolarHBondContact O-N 2.99Å; I406-L409 PolarHBondContact O-N 3.18Å; I406-K410 WeakPolarHBondContact O-CA 3.34Å; I406-K410 PolarHBondContact O-N 3.38Å; I406-V414 HydrophobicContact CD1-CG1 4.28Å; I406-V414 HydrophobicContact CG2-CG2 4.25Å; I406-L431 HydrophobicContact CD1-CD1 3.68Å; I406-L431 HydrophobicContact CD1-CD2 3.75Å; I406-L431 HydrophobicContact CD1-CG 4.39Å; I406-Y435 HydrophobicContact CG2-CE2 4.25Å; I406-I443 HydrophobicContact CG2-CD1 3.86Å
407R97.3Very high97.6Very high115 Ų11530.8 Ų30.843%0.43415%0.149SC..Hα-helixtrans-64.8-33.9-179.9-166-175.6-55.8115.81.7113.1S403 E404 F405 K410 E434 Y435S403-R407 VanDerWaalsContact O-CB 3.26Å; S403-R407 WeakPolarHBondContact O-CB 3.42Å; S403-R407 PolarHBondContact O-N 3.36Å; S403-R407 PolarHBondContact OG-NH2 3.17Å; E404-R407 PolarHBondContact O-N 3.01Å; F405-R407 VanDerWaalsContact C-N 3.33Å; F405-R407 PolarHBondContact O-N 3.15Å; R407-K410 WeakPolarHBondContact O-CE 3.5Å; R407-K410 WeakPolarHBondContact O-CG 3.26Å; R407-E434 IonicContact CZ-OE1 3.83Å; R407-E434 IonicContact NE-OE1 3.29Å; R407-E434 PolarHBondContact NE-OE1 3.16Å; R407-E434 IonicContact NH2-OE1 3.15Å; R407-E434 PolarHBondContact NH2-OE1 3.04Å; R407-Y435 VanDerWaalsContact CA-OH 3.25Å; R407-Y435 WeakPolarHBondContact CA-OH 3.25Å; R407-Y435 WeakPolarHBondContact CB-OH 3.48Å; R407-Y435 PolarHBondContact N-OH 2.67Å
408A97.7Very high97.7Very high45 Ų4531 Ų3137%0.37215%0.149SC..Hα-helixtrans-71-42.7176.300000111.9I193 E404 F405 I406I193-A408 HydrophobicContact CD1-CB 4.13Å; I193-A408 HydrophobicContact CG2-CB 3.87Å; E404-A408 PolarHBondContact O-N 2.92Å; F405-A408 PolarHBondContact O-N 3.2Å; I406-A408 VanDerWaalsContact C-N 3.32Å; I406-A408 PolarHBondContact O-N 2.99Å
409L97.9Very high97.8Very high2 Ų230.6 Ų30.61%0.0115%0.147CC..Hα-helixtrans-81.8-36.1-176.3-65.3-179.9000113.3L175 I193 P194 P198 F405 I406L175-L409 HydrophobicContact CD2-CD1 3.83Å; I193-L409 HydrophobicContact CG2-CD2 4.02Å; I193-L409 HydrophobicContact CG2-CG 4.47Å; P194-L409 HydrophobicContact CB-CD2 4.43Å; P198-L409 HydrophobicContact CG-CD1 4.37Å; F405-L409 HydrophobicContact CD1-CD1 3.92Å; F405-L409 HydrophobicContact CE1-CD1 3.41Å; F405-L409 VanDerWaalsContact CE1-CD1 3.41Å; F405-L409 HydrophobicContact CE2-CD1 4.41Å; F405-L409 HydrophobicContact CZ-CD1 3.7Å; F405-L409 PolarHBondContact O-N 2.81Å; I406-L409 PolarHBondContact O-N 3.18Å
410K97.7Very high97.7Very high94 Ų9430.2 Ų30.241%0.40915%0.148SC..  trans45.855.2-173.4-56.5-173.1179.3-1740113.3I406 R407 V441I406-K410 WeakPolarHBondContact O-CA 3.34Å; I406-K410 PolarHBondContact O-N 3.38Å; R407-K410 WeakPolarHBondContact O-CE 3.5Å; R407-K410 WeakPolarHBondContact O-CG 3.26Å; K410-V441 HydrophobicContact CB-CG1 4.24Å; K410-V441 HydrophobicContact CD-CG1 3.92Å; K410-V441 HydrophobicContact CD-CG2 3.81Å; K410-V441 HydrophobicContact CG-CG1 4.19Å
411P97.8Very high97.7Very high0 Ų027.8 Ų27.80%014%0.136CC..  trans-69.1137178.731-35.2000110.4P198 L201 H413 V414 I443P198-P411 HydrophobicContact CG-CB 4.47Å; L201-P411 HydrophobicContact CB-CB 3.89Å; L201-P411 HydrophobicContact CB-CG 3.67Å; L201-P411 HydrophobicContact CD2-CG 3.96Å; L201-P411 HydrophobicContact CG-CG 4.49Å; P411-H413 PolarHBondContact O-N 3.29Å; P411-V414 HydrophobicContact CG-CG2 3.58Å; P411-I443 WeakPolarHBondContact O-CG1 3.37Å
412P97.4Very high97.7Very high54 Ų5431.5 Ų31.535%0.35116%0.157SC..SBendtrans-55.5-36.6173.6-28.434000114.2D199 E444D199-P412 WeakPolarHBondContact O-CD 3.4Å; P412-E444 PolarHBondContact O-N 3.28Å
413H98.6Very high97.6Very high35 Ų3533.1 Ų33.116%0.16216%0.164CC..EExtended strand (participates in β ladder)trans-124.9128178.5-60.8-76.6000111.3D199 I200 L201 P411 E444 H446 L456D199-H413 PolarHBondContact O-N 3.39Å; I200-H413 WeakPolarHBondContact CA-O 3.46Å; L201-H413 PolarHBondContact N-O 2.87Å; P411-H413 PolarHBondContact O-N 3.29Å; H413-E444 WeakPolarHBondContact CA-O 3.44Å; H413-E444 IonicContact CE1-OE2 3.65Å; H413-E444 PolarHBondContact CE1-OE2 2.98Å; H413-E444 VanDerWaalsContact CE1-OE2 3.31Å; H413-E444 IonicContact ND1-OE2 2.76Å; H413-H446 AromaticContact ND1-NE2 3.43Å; H413-H446 PolarHBondContact ND1-NE2 3.38Å; H413-L456 HydrophobicContact CB-CD1 3.94Å
414V98.8Very high97.6Very high0 Ų032.9 Ų32.90%016%0.163CC..EExtended strand (participates in β ladder)trans-114.3128.7172.3177.40000108.8L201 I203 I406 P411 L416 I443 E444 V445 H446L201-V414 CarbonylContact O-C 3.31Å; L201-V414 WeakPolarHBondContact O-CA 3.24Å; I203-V414 HydrophobicContact CG2-CG1 3.75Å; I406-V414 HydrophobicContact CD1-CG1 4.28Å; I406-V414 HydrophobicContact CG2-CG2 4.25Å; P411-V414 HydrophobicContact CG-CG2 3.58Å; V414-L416 HydrophobicContact CG1-CD2 3.92Å; V414-I443 HydrophobicContact CB-CG2 4.35Å; V414-I443 HydrophobicContact CG2-CG2 3.61Å; V414-E444 PolarHBondContact N-O 2.66Å; V414-V445 HydrophobicContact CB-CG1 4.47Å; V414-V445 HydrophobicContact CB-CG2 4.4Å; V414-V445 HydrophobicContact CG1-CG1 4.44Å; V414-V445 CarbonylContact O-C 3.41Å; V414-V445 WeakPolarHBondContact O-CA 3.48Å; V414-H446 PolarHBondContact O-CD2 3.44Å; V414-H446 PolarHBondContact O-N 3.27Å
415I98.9Very high97.6Very high0 Ų031.2 Ų31.20%016%0.163CC..EExtended strand (participates in β ladder)trans-119112.7179.3-60.6164.1000107.7I14 I200 L201 I202 I203 V417 H446 P448 V454I14-I415 HydrophobicContact CB-CD1 4.12Å; I14-I415 HydrophobicContact CD1-CD1 3.23Å; I14-I415 HydrophobicContact CG1-CD1 4.26Å; I14-I415 HydrophobicContact CG2-CD1 4.04Å; I200-I415 HydrophobicContact CG2-CD1 3.78Å; L201-I415 PolarHBondContact O-N 3.5Å; I202-I415 WeakPolarHBondContact CA-O 3.34Å; I202-I415 HydrophobicContact CG1-CB 4.26Å; I202-I415 HydrophobicContact CG1-CD1 4.3Å; I203-I415 PolarHBondContact N-O 3.3Å; I415-V417 HydrophobicContact CG2-CG1 4.38Å; I415-H446 HydrophobicContact CG1-CB 4.14Å; I415-P448 HydrophobicContact CG2-CG 3.91Å; I415-V454 HydrophobicContact CD1-CG1 4.34Å
416L98.9Very high97.6Very high0 Ų039.1 Ų39.10%019%0.193CC..EExtended strand (participates in β ladder)trans-81.9130.1178.1-54.2-179000109.9I203 V414 M424 L427 K428 L431 V445 H446 N447I203-L416 HydrophobicContact CG2-CD2 3.66Å; V414-L416 HydrophobicContact CG1-CD2 3.92Å; L416-M424 HydrophobicContact CB-CG 3.71Å; L416-M424 HydrophobicContact CB-SD 3.99Å; L416-M424 HydrophobicContact CD1-CG 3.95Å; L416-L427 HydrophobicContact CD1-CB 4.44Å; L416-L427 HydrophobicContact CD1-CD2 3.97Å; L416-L427 HydrophobicContact CD1-CG 4.08Å; L416-L427 HydrophobicContact CD2-CD2 3.84Å; L416-L427 HydrophobicContact CD2-CG 4.48Å; L416-K428 HydrophobicContact CD1-CB 3.82Å; L416-L431 HydrophobicContact CD2-CD1 4.31Å; L416-V445 HydrophobicContact CD1-CG1 4.01Å; L416-V445 HydrophobicContact CG-CG1 4.06Å; L416-H446 PolarHBondContact N-O 3.09Å; L416-N447 HydrophobicContact CB-CB 4.26Å; L416-N447 HydrophobicContact CD1-CB 4.44Å
417V98.8Very high97.6Very high2 Ų239.1 Ų39.11%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-135.8176.2173.4-64.10000108.9P16 A19 I28 I202 I203 E204 S205 I415P16-V417 HydrophobicContact CG-CG1 4.47Å; A19-V417 CarbonylContact O-C 3.21Å; I28-V417 HydrophobicContact CD1-CB 4.4Å; I28-V417 HydrophobicContact CD1-CG1 4.13Å; I28-V417 HydrophobicContact CD1-CG2 4.13Å; I28-V417 HydrophobicContact CG1-CG1 4.38Å; I202-V417 HydrophobicContact CG2-CG1 4.01Å; I202-V417 HydrophobicContact CG2-CG2 3.7Å; I203-V417 PolarHBondContact O-N 2.62Å; E204-V417 CarbonylContact C-O 3.58Å; E204-V417 WeakPolarHBondContact CA-O 3.49Å; S205-V417 PolarHBondContact N-O 3.2Å; S205-V417 PolarHBondContact OG-O 2.85Å; I415-V417 HydrophobicContact CG2-CG1 4.38Å
418H98.3Very high97.6Very high5 Ų536.1 Ų36.12%0.02318%0.183CC..SBendtrans51.368.7171.1-158.9-98.9000113.1A19 E22 S26 D75 H76 D179 E204 S205 T206A19-H418 HydrophobicContact CB-CB 4.3Å; A19-H418 PolarHBondContact O-N 3.03Å; E22-H418 WeakPolarHBondContact O-CA 3.44Å; S26-H418 PolarHBondContact OG-CD2 3.23Å; S26-H418 VanDerWaalsContact OG-CD2 3.24Å; D75-H418 IonicContact OD2-CE1 2.83Å; D75-H418 IonicContact OD2-NE2 2.68Å; D75-H418 PolarHBondContact OD2-NE2 3.25Å; H76-H418 AromaticContact NE2-CD2 3.75Å; H76-H418 AromaticContact NE2-CE1 3.94Å; H76-H418 AromaticContact NE2-NE2 3.51Å; D179-H418 IonicContact OD1-CE1 3.96Å; D179-H418 PolarHBondContact OD1-CE1 3.42Å; D179-H418 IonicContact OD1-CG 2.91Å; D179-H418 IonicContact OD1-ND1 2.7Å; D179-H418 PolarHBondContact OD1-ND1 3.18Å; D179-H418 IonicContact OD2-CE1 3.88Å; D179-H418 PolarHBondContact OD2-CE1 2.74Å; E204-H418 HydrophobicContact CB-CB 4.08Å; S205-H418 CarbonylContact C-O 3.51Å; S205-H418 PolarHBondContact N-O 2.76Å; S205-H418 PolarHBondContact OG-O 2.92Å; T206-H418 PolarHBondContact N-O 3.32Å; T206-H418 PolarHBondContact OG1-ND1 3.47Å; T206-H418 VanDerWaalsContact OG1-ND1 3.11Å; T206-H418 PolarHBondContact OG1-O 3.08Å
419G96.4Very high97.6Very high0 Ų035.9 Ų35.90%018%0.181CC..SBendtrans-174.6150.3-178.200000111.2Q21 E22 S205 M424Q21-G419 CarbonylContact C-O 3.58Å; E22-G419 CarbonylContact C-O 3.52Å; E22-G419 WeakPolarHBondContact CA-O 3.48Å; E22-G419 PolarHBondContact N-O 3.03Å; E22-G419 PolarHBondContact O-N 3.06Å; S205-G419 WeakPolarHBondContact OG-CA 3.42Å; G419-M424 WeakPolarHBondContact O-CE 3.25Å
420E94.5Very high97.6Very high57 Ų5737.1 Ų37.127%0.26619%0.191SC..  trans-62.9143.2177.1-173.9-79.914800110.6N422 E423 M424E420-N422 VanDerWaalsContact C-N 3.35Å; E420-N422 PolarHBondContact O-N 3.18Å; E420-N422 PolarHBondContact OE1-N 2.76Å; E420-N422 VanDerWaalsContact OE1-N 3.11Å; E420-N422 PolarHBondContact OE1-ND2 3.2Å; E420-N422 WeakPolarHBondContact OE2-CA 3.42Å; E420-N422 VanDerWaalsContact OE2-CB 3.26Å; E420-N422 WeakPolarHBondContact OE2-CB 3.42Å; E420-N422 PolarHBondContact OE2-N 3.19Å; E420-E423 HydrophobicContact CB-CB 4.48Å; E420-E423 PolarHBondContact O-N 3.31Å; E420-E423 PolarHBondContact OE2-N 3.36Å; E420-M424 VanDerWaalsContact O-CB 3.25Å; E420-M424 WeakPolarHBondContact O-CB 3.3Å; E420-M424 PolarHBondContact O-N 2.92Å
421Q95.9Very high97.6Very high74 Ų7432.8 Ų32.835%0.34617%0.172SC..Hα-helixtrans-51.5-47.1-171.7175.8173.474.300114Q21 A425 R449Q21-Q421 HydrophobicContact CB-CB 4.14Å; Q21-Q421 HydrophobicContact CB-CG 4.33Å; Q21-Q421 PolarHBondContact O-N 3Å; Q421-A425 WeakPolarHBondContact O-CB 3.36Å; Q421-A425 PolarHBondContact O-N 3.02Å; Q421-A425 VanDerWaalsContact O-N 3.08Å; Q421-R449 VanDerWaalsContact NE2-NH2 3.2Å
422N96.4Very high97.6Very high92 Ų9236.1 Ų36.149%0.49219%0.19SC..Hα-helixtrans-74.1-41.4-177.2-61.6-67.2000112E420 A425 R426E420-N422 VanDerWaalsContact C-N 3.35Å; E420-N422 PolarHBondContact O-N 3.18Å; E420-N422 PolarHBondContact OE1-N 2.76Å; E420-N422 VanDerWaalsContact OE1-N 3.11Å; E420-N422 PolarHBondContact OE1-ND2 3.2Å; E420-N422 WeakPolarHBondContact OE2-CA 3.42Å; E420-N422 VanDerWaalsContact OE2-CB 3.26Å; E420-N422 WeakPolarHBondContact OE2-CB 3.42Å; E420-N422 PolarHBondContact OE2-N 3.19Å; N422-A425 PolarHBondContact O-N 3.44Å; N422-R426 WeakPolarHBondContact O-CG 3.49Å; N422-R426 PolarHBondContact O-N 3.09Å
423E95.4Very high97.5Very high35 Ų3542.4 Ų42.416%0.16421%0.206CC..Hα-helixtrans-63.8-43.1175.8-68.6-178.5149.800111.3T209 H210 E420 A425 R426 L427T209-E423 HydrophobicContact CG2-CB 4.49Å; T209-E423 WeakPolarHBondContact CG2-O 3.42Å; H210-E423 IonicContact CD2-OE1 2.72Å; H210-E423 IonicContact CE1-OE1 2.59Å; H210-E423 IonicContact NE2-OE1 3.15Å; H210-E423 PolarHBondContact NE2-OE1 2.94Å; E420-E423 HydrophobicContact CB-CB 4.48Å; E420-E423 PolarHBondContact O-N 3.31Å; E420-E423 PolarHBondContact OE2-N 3.36Å; E423-A425 PolarHBondContact O-N 3.06Å; E423-R426 PolarHBondContact O-N 2.68Å; E423-L427 PolarHBondContact O-N 3.45Å
424M98.1Very high97.4Very high0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-62.5-40.5174.9-172-172.4-72.800111.8Q21 S205 L416 G419 E420 L427 K428 N447Q21-M424 HydrophobicContact CB-SD 4.44Å; Q21-M424 HydrophobicContact CG-SD 3.89Å; S205-M424 WeakPolarHBondContact OG-CE 3.43Å; L416-M424 HydrophobicContact CB-CG 3.71Å; L416-M424 HydrophobicContact CB-SD 3.99Å; L416-M424 HydrophobicContact CD1-CG 3.95Å; G419-M424 WeakPolarHBondContact O-CE 3.25Å; E420-M424 VanDerWaalsContact O-CB 3.25Å; E420-M424 WeakPolarHBondContact O-CB 3.3Å; E420-M424 PolarHBondContact O-N 2.92Å; M424-L427 PolarHBondContact O-N 3.06Å; M424-K428 WeakPolarHBondContact O-CB 3.28Å; M424-K428 PolarHBondContact O-N 2.67Å; M424-N447 HydrophobicContact CG-CB 3.99Å; M424-N447 HydrophobicContact SD-CB 3.74Å
425A98.1Very high97.2Very high45 Ų4544.5 Ų44.537%0.37222%0.215SC..Hα-helixtrans-64.9-39.2175.600000112.4Q421 N422 E423 A429Q421-A425 WeakPolarHBondContact O-CB 3.36Å; Q421-A425 PolarHBondContact O-N 3.02Å; Q421-A425 VanDerWaalsContact O-N 3.08Å; N422-A425 PolarHBondContact O-N 3.44Å; E423-A425 PolarHBondContact O-N 3.06Å; A425-A429 PolarHBondContact O-N 2.82Å
426R98.1Very high96.8Very high166 Ų16651.1 Ų51.163%0.62625%0.246SC*.Hα-helixtrans-66.9-43.4174.8-75.8174.9-172.7179.44.4111.9T209 N422 E423 A429 A430T209-R426 HydrophobicContact CG2-CB 3.51Å; N422-R426 WeakPolarHBondContact O-CG 3.49Å; N422-R426 PolarHBondContact O-N 3.09Å; E423-R426 PolarHBondContact O-N 2.68Å; R426-A429 PolarHBondContact O-N 3.46Å; R426-A430 WeakPolarHBondContact O-CB 3.48Å; R426-A430 PolarHBondContact O-N 2.69Å
427L98.2Very high96.4Very high1 Ų158.6 Ų58.61%0.00529%0.286CS..Hα-helixtrans-58.1-48.8173.7171.263.6000110.5G208 T209 Y399 T402 L416 E423 M424 A429 A430 L431G208-L427 WeakPolarHBondContact O-CD1 3.18Å; T209-L427 HydrophobicContact CG2-CB 4.24Å; Y399-L427 HydrophobicContact CD2-CD1 3.9Å; Y399-L427 HydrophobicContact CE2-CD1 4.21Å; T402-L427 HydrophobicContact CG2-CD1 4.46Å; L416-L427 HydrophobicContact CD1-CB 4.44Å; L416-L427 HydrophobicContact CD1-CD2 3.97Å; L416-L427 HydrophobicContact CD1-CG 4.08Å; L416-L427 HydrophobicContact CD2-CD2 3.84Å; L416-L427 HydrophobicContact CD2-CG 4.48Å; E423-L427 PolarHBondContact O-N 3.45Å; M424-L427 PolarHBondContact O-N 3.06Å; L427-A429 VanDerWaalsContact C-N 3.34Å; L427-A429 PolarHBondContact O-N 3.05Å; L427-A430 PolarHBondContact O-N 2.97Å; L427-L431 HydrophobicContact CD1-CD1 3.87Å; L427-L431 HydrophobicContact CD1-CD2 4.47Å; L427-L431 HydrophobicContact CD1-CG 3.93Å; L427-L431 HydrophobicContact CG-CD1 3.96Å; L427-L431 HydrophobicContact CG-CG 4.4Å; L427-L431 WeakPolarHBondContact O-CG 3.39Å; L427-L431 PolarHBondContact O-N 3.29Å
428K98.4Very high96Very high52 Ų5261.5 Ų61.523%0.22630%0.302CS..Hα-helixtrans-54.8-48.4175.7171.6167.8171.8160.30112L416 M424 A430 L431 I432 V445 N447L416-K428 HydrophobicContact CD1-CB 3.82Å; M424-K428 WeakPolarHBondContact O-CB 3.28Å; M424-K428 PolarHBondContact O-N 2.67Å; K428-A430 VanDerWaalsContact C-N 3.32Å; K428-A430 PolarHBondContact O-N 3.28Å; K428-L431 PolarHBondContact O-N 3.38Å; K428-I432 HydrophobicContact CG-CD1 3.78Å; K428-I432 HydrophobicContact CG-CG1 4.47Å; K428-I432 WeakPolarHBondContact O-CG1 3.18Å; K428-I432 PolarHBondContact O-N 3.03Å; K428-V445 HydrophobicContact CB-CG1 4.17Å; K428-V445 HydrophobicContact CD-CG1 4.41Å; K428-V445 WeakPolarHBondContact CE-O 3.45Å; K428-V445 HydrophobicContact CG-CB 4.24Å; K428-V445 HydrophobicContact CG-CG1 3.91Å; K428-V445 PolarHBondContact NZ-O 3.32Å; K428-N447 HydrophobicContact CD-CB 4.13Å; K428-N447 VanDerWaalsContact CD-CG 3.46Å; K428-N447 WeakPolarHBondContact CD-OD1 3.49Å; K428-N447 PolarHBondContact NZ-OD1 2.79Å
429A98Very high95.5Very high40 Ų4069.5 Ų69.533%0.33135%0.345SS..Hα-helixtrans-62.7-38.9179.200000112.4A425 R426 L427 R433A425-A429 PolarHBondContact O-N 2.82Å; R426-A429 PolarHBondContact O-N 3.46Å; L427-A429 VanDerWaalsContact C-N 3.34Å; L427-A429 PolarHBondContact O-N 3.05Å; A429-R433 VanDerWaalsContact O-CG 3.31Å; A429-R433 WeakPolarHBondContact O-CG 3.41Å; A429-R433 PolarHBondContact O-N 2.94Å; A429-R433 VanDerWaalsContact O-N 3.16Å
430A97.6Very high95.2Very high28 Ų2878 Ų7823%0.23138%0.384CS..Hα-helixtrans-66.9-42.7176.600000112.1Y399 R426 L427 K428 R433 E434Y399-A430 HydrophobicContact CD2-CB 4.49Å; Y399-A430 HydrophobicContact CE2-CB 3.62Å; R426-A430 WeakPolarHBondContact O-CB 3.48Å; R426-A430 PolarHBondContact O-N 2.69Å; L427-A430 PolarHBondContact O-N 2.97Å; K428-A430 VanDerWaalsContact C-N 3.32Å; K428-A430 PolarHBondContact O-N 3.28Å; A430-R433 PolarHBondContact O-N 3.08Å; A430-E434 PolarHBondContact O-N 3.45Å
431L97.3Very high95.1Very high2 Ų275.9 Ų75.91%0.0138%0.375CS..Hα-helixtrans-65.2-43.3176.3-68.9173.2000111.9I406 L416 L427 K428 R433 E434 Y435 V445I406-L431 HydrophobicContact CD1-CD1 3.68Å; I406-L431 HydrophobicContact CD1-CD2 3.75Å; I406-L431 HydrophobicContact CD1-CG 4.39Å; L416-L431 HydrophobicContact CD2-CD1 4.31Å; L427-L431 HydrophobicContact CD1-CD1 3.87Å; L427-L431 HydrophobicContact CD1-CD2 4.47Å; L427-L431 HydrophobicContact CD1-CG 3.93Å; L427-L431 HydrophobicContact CG-CD1 3.96Å; L427-L431 HydrophobicContact CG-CG 4.4Å; L427-L431 WeakPolarHBondContact O-CG 3.39Å; L427-L431 PolarHBondContact O-N 3.29Å; K428-L431 PolarHBondContact O-N 3.38Å; L431-R433 VanDerWaalsContact C-N 3.34Å; L431-R433 PolarHBondContact O-N 3.26Å; L431-E434 WeakPolarHBondContact O-CB 3.39Å; L431-E434 PolarHBondContact O-N 3Å; L431-E434 VanDerWaalsContact O-N 3.17Å; L431-Y435 VanDerWaalsContact O-CD2 3.28Å; L431-Y435 WeakPolarHBondContact O-CD2 3.39Å; L431-Y435 PolarHBondContact O-N 3.41Å; L431-V445 HydrophobicContact CB-CG2 4.1Å; L431-V445 HydrophobicContact CD1-CG1 4.34Å
432I97.3Very high95Very high71 Ų7179.7 Ų79.736%0.36439%0.393SS..Hα-helixtrans-58-48.8176.4-70.3167.8000110.4K428 E434 Y435 E436 V445K428-I432 HydrophobicContact CG-CD1 3.78Å; K428-I432 HydrophobicContact CG-CG1 4.47Å; K428-I432 WeakPolarHBondContact O-CG1 3.18Å; K428-I432 PolarHBondContact O-N 3.03Å; I432-E434 VanDerWaalsContact C-N 3.25Å; I432-E434 PolarHBondContact O-N 3.21Å; I432-Y435 PolarHBondContact O-N 2.96Å; I432-E436 WeakPolarHBondContact O-CB 3.29Å; I432-E436 PolarHBondContact O-N 3.41Å; I432-V445 HydrophobicContact CG1-CB 4.33Å; I432-V445 HydrophobicContact CG1-CG2 4.33Å
433R96Very high95.1Very high186 Ų18676.2 Ų76.270%0.70237%0.374SS*.Hα-helixtrans-61.2-32.6178.1-72.3174.5-173.8175.13.2113.2A429 A430 L431 Y435A429-R433 VanDerWaalsContact O-CG 3.31Å; A429-R433 WeakPolarHBondContact O-CG 3.41Å; A429-R433 PolarHBondContact O-N 2.94Å; A429-R433 VanDerWaalsContact O-N 3.16Å; A430-R433 PolarHBondContact O-N 3.08Å; L431-R433 VanDerWaalsContact C-N 3.34Å; L431-R433 PolarHBondContact O-N 3.26Å; R433-Y435 VanDerWaalsContact C-N 3.26Å; R433-Y435 PolarHBondContact O-N 3.02Å
434E95.5Very high95.2Very high56 Ų5678.8 Ų78.826%0.26239%0.386SS..Hα-helixtrans-65.6-30.2179.5-169.3-179.7159.800112.4Y399 S403 R407 A430 L431 I432Y399-E434 PolarHBondContact OH-OE2 3.02Å; S403-E434 PolarHBondContact OG-OE1 3.4Å; S403-E434 PolarHBondContact OG-OE2 3.26Å; R407-E434 IonicContact CZ-OE1 3.83Å; R407-E434 IonicContact NE-OE1 3.29Å; R407-E434 PolarHBondContact NE-OE1 3.16Å; R407-E434 IonicContact NH2-OE1 3.15Å; R407-E434 PolarHBondContact NH2-OE1 3.04Å; A430-E434 PolarHBondContact O-N 3.45Å; L431-E434 WeakPolarHBondContact O-CB 3.39Å; L431-E434 PolarHBondContact O-N 3Å; L431-E434 VanDerWaalsContact O-N 3.17Å; I432-E434 VanDerWaalsContact C-N 3.25Å; I432-E434 PolarHBondContact O-N 3.21Å
435Y94.3Very high95.2Very high22 Ų2279.2 Ų79.29%0.08639%0.389CS..Hα-helixtrans-110.1-5.6-176.8-63.9-81.1000114.2I406 R407 L431 I432 R433 D437 N438 V441 I443I406-Y435 HydrophobicContact CG2-CE2 4.25Å; R407-Y435 VanDerWaalsContact CA-OH 3.25Å; R407-Y435 WeakPolarHBondContact CA-OH 3.25Å; R407-Y435 WeakPolarHBondContact CB-OH 3.48Å; R407-Y435 PolarHBondContact N-OH 2.67Å; L431-Y435 VanDerWaalsContact O-CD2 3.28Å; L431-Y435 WeakPolarHBondContact O-CD2 3.39Å; L431-Y435 PolarHBondContact O-N 3.41Å; I432-Y435 PolarHBondContact O-N 2.96Å; R433-Y435 VanDerWaalsContact C-N 3.26Å; R433-Y435 PolarHBondContact O-N 3.02Å; Y435-D437 VanDerWaalsContact C-N 3.32Å; Y435-D437 PolarHBondContact O-N 3.49Å; Y435-N438 PolarHBondContact O-N 3.11Å; Y435-V441 HydrophobicContact CD1-CB 4.26Å; Y435-V441 HydrophobicContact CD1-CG1 3.77Å; Y435-V441 HydrophobicContact CE1-CG1 3.94Å; Y435-I443 HydrophobicContact CD1-CD1 3.98Å; Y435-I443 HydrophobicContact CD1-CG1 4.44Å; Y435-I443 HydrophobicContact CD2-CD1 4.04Å; Y435-I443 HydrophobicContact CE1-CD1 3.73Å; Y435-I443 HydrophobicContact CE2-CD1 3.84Å; Y435-I443 HydrophobicContact CG-CD1 4.14Å; Y435-I443 HydrophobicContact CG-CG1 4.45Å
436E91.8Very high95.2Very high139 Ų13978.5 Ų78.565%0.6538%0.377SS*.THydrogen-bonded Turntrans-61.1-35.8-176.8-170.8169.7-149.500113.3I432I432-E436 WeakPolarHBondContact O-CB 3.29Å; I432-E436 PolarHBondContact O-N 3.41Å
437D89.9Confident95.3Very high157 Ų15772 Ų7284%0.8436%0.355SS*.THydrogen-bonded Turntrans-88.82.7-179.5-67.2-34.2000113.7Y435Y435-D437 VanDerWaalsContact C-N 3.32Å; Y435-D437 PolarHBondContact O-N 3.49Å
438N89.9Confident95.3Very high64 Ų6472 Ų7234%0.34236%0.356SS..  trans-108.897.5-175-169.2-24.9000112.6Y435 E440 V441Y435-N438 PolarHBondContact O-N 3.11Å; N438-E440 PolarHBondContact O-N 2.91Å; N438-E440 VanDerWaalsContact O-N 3.13Å; N438-E440 WeakPolarHBondContact OD1-CB 3.34Å; N438-E440 PolarHBondContact OD1-N 2.85Å; N438-V441 PolarHBondContact O-N 2.88Å; N438-V441 PolarHBondContact OD1-N 3.01Å
439D88.8Confident95.3Very high172 Ų17276.1 Ų76.192%0.9237%0.37SS*.THydrogen-bonded Turntrans-63.4-17.9179.5-67.2-41.5000114.5
440E90.6Very high95.3Very high179 Ų17975.2 Ų75.284%0.83636%0.359SS*.THydrogen-bonded Turntrans-88.4-21.7-178.7-61.6-173.8174.200113.3N438N438-E440 PolarHBondContact O-N 2.91Å; N438-E440 VanDerWaalsContact O-N 3.13Å; N438-E440 WeakPolarHBondContact OD1-CB 3.34Å; N438-E440 PolarHBondContact OD1-N 2.85Å
441V92.1Very high95.3Very high12 Ų1277.1 Ų77.17%0.07337%0.368CS..  trans-127.299.4-171.5-175.80000109.9K410 Y435 N438 I443K410-V441 HydrophobicContact CB-CG1 4.24Å; K410-V441 HydrophobicContact CD-CG1 3.92Å; K410-V441 HydrophobicContact CD-CG2 3.81Å; K410-V441 HydrophobicContact CG-CG1 4.19Å; Y435-V441 HydrophobicContact CD1-CB 4.26Å; Y435-V441 HydrophobicContact CD1-CG1 3.77Å; Y435-V441 HydrophobicContact CE1-CG1 3.94Å; N438-V441 PolarHBondContact O-N 2.88Å; N438-V441 PolarHBondContact OD1-N 3.01Å; V441-I443 HydrophobicContact CG1-CD1 4.09Å; V441-I443 HydrophobicContact CG1-CG1 3.99Å
442H93.9Very high95.4Very high154 Ų15481.7 Ų81.771%0.71339%0.389SS*.  trans-96.5116.7175.9-174.3-80.8000110.9
443I97.4Very high95.4Very high20 Ų2080.1 Ų80.110%0.10339%0.387CS..  trans-124.2121.8176.2-58.4-175.1000109.1I406 P411 V414 Y435 V441 V445I406-I443 HydrophobicContact CG2-CD1 3.86Å; P411-I443 WeakPolarHBondContact O-CG1 3.37Å; V414-I443 HydrophobicContact CB-CG2 4.35Å; V414-I443 HydrophobicContact CG2-CG2 3.61Å; Y435-I443 HydrophobicContact CD1-CD1 3.98Å; Y435-I443 HydrophobicContact CD1-CG1 4.44Å; Y435-I443 HydrophobicContact CD2-CD1 4.04Å; Y435-I443 HydrophobicContact CE1-CD1 3.73Å; Y435-I443 HydrophobicContact CE2-CD1 3.84Å; Y435-I443 HydrophobicContact CG-CD1 4.14Å; Y435-I443 HydrophobicContact CG-CG1 4.45Å; V441-I443 HydrophobicContact CG1-CD1 4.09Å; V441-I443 HydrophobicContact CG1-CG1 3.99Å; I443-V445 HydrophobicContact CG2-CG2 4.09Å
444E98Very high95.5Very high89 Ų8972 Ų7242%0.41636%0.358SS..EExtended strand (participates in β ladder)trans-95.2122.5172.9-164.4178.7169.500110.2P412 H413 V414 H446P412-E444 PolarHBondContact O-N 3.28Å; H413-E444 WeakPolarHBondContact CA-O 3.44Å; H413-E444 IonicContact CE1-OE2 3.65Å; H413-E444 PolarHBondContact CE1-OE2 2.98Å; H413-E444 VanDerWaalsContact CE1-OE2 3.31Å; H413-E444 IonicContact ND1-OE2 2.76Å; V414-E444 PolarHBondContact N-O 2.66Å; E444-H446 IonicContact OE1-CE1 3.28Å; E444-H446 PolarHBondContact OE1-CE1 3.23Å; E444-H446 IonicContact OE1-NE2 3.78Å
445V98.5Very high95.6Very high9 Ų972.7 Ų72.76%0.05537%0.366CS..EExtended strand (participates in β ladder)trans-107120.7-175.8-170.90000111.2V414 L416 K428 L431 I432 I443V414-V445 HydrophobicContact CB-CG1 4.47Å; V414-V445 HydrophobicContact CB-CG2 4.4Å; V414-V445 HydrophobicContact CG1-CG1 4.44Å; V414-V445 CarbonylContact O-C 3.41Å; V414-V445 WeakPolarHBondContact O-CA 3.48Å; L416-V445 HydrophobicContact CD1-CG1 4.01Å; L416-V445 HydrophobicContact CG-CG1 4.06Å; K428-V445 HydrophobicContact CB-CG1 4.17Å; K428-V445 HydrophobicContact CD-CG1 4.41Å; K428-V445 WeakPolarHBondContact CE-O 3.45Å; K428-V445 HydrophobicContact CG-CB 4.24Å; K428-V445 HydrophobicContact CG-CG1 3.91Å; K428-V445 PolarHBondContact NZ-O 3.32Å; L431-V445 HydrophobicContact CB-CG2 4.1Å; L431-V445 HydrophobicContact CD1-CG1 4.34Å; I432-V445 HydrophobicContact CG1-CB 4.33Å; I432-V445 HydrophobicContact CG1-CG2 4.33Å; I443-V445 HydrophobicContact CG2-CG2 4.09Å
446H98.7Very high95.7Very high29 Ų2972 Ų7213%0.13436%0.364CS..EExtended strand (participates in β ladder)trans-110.2150.3179.1-49.4-88.1000110.6H413 V414 I415 L416 E444 V454H413-H446 AromaticContact ND1-NE2 3.43Å; H413-H446 PolarHBondContact ND1-NE2 3.38Å; V414-H446 PolarHBondContact O-CD2 3.44Å; V414-H446 PolarHBondContact O-N 3.27Å; I415-H446 HydrophobicContact CG1-CB 4.14Å; L416-H446 PolarHBondContact N-O 3.09Å; E444-H446 IonicContact OE1-CE1 3.28Å; E444-H446 PolarHBondContact OE1-CE1 3.23Å; E444-H446 IonicContact OE1-NE2 3.78Å; H446-V454 HydrophobicContact CB-CG1 4.49Å; H446-V454 HydrophobicContact CB-CG2 4.1Å
447N98.4Very high95.8Very high30 Ų3070.7 Ų70.716%0.1636%0.361CS..  trans-143.361.9176.861.1-34.1000109.7Q21 L416 M424 K428Q21-N447 PolarHBondContact NE2-O 3.19Å; L416-N447 HydrophobicContact CB-CB 4.26Å; L416-N447 HydrophobicContact CD1-CB 4.44Å; M424-N447 HydrophobicContact CG-CB 3.99Å; M424-N447 HydrophobicContact SD-CB 3.74Å; K428-N447 HydrophobicContact CD-CB 4.13Å; K428-N447 VanDerWaalsContact CD-CG 3.46Å; K428-N447 WeakPolarHBondContact CD-OD1 3.49Å; K428-N447 PolarHBondContact NZ-OD1 2.79Å
448P98.5Very high95.8Very high2 Ų264.8 Ų64.81%0.01333%0.328CS..PPolyproline II helixtrans-61.4144.3-172.926.7-35.3000112.1P16 G20 I415 E452 V454P16-P448 HydrophobicContact CG-CB 4.06Å; P16-P448 HydrophobicContact CG-CG 3.6Å; G20-P448 CarbonylContact C-O 3.42Å; G20-P448 VanDerWaalsContact CA-O 3.3Å; G20-P448 WeakPolarHBondContact CA-O 3.26Å; I415-P448 HydrophobicContact CG2-CG 3.91Å; P448-E452 HydrophobicContact CB-CB 4.13Å; P448-E452 HydrophobicContact CB-CG 4.34Å; P448-V454 HydrophobicContact CB-CG2 3.92Å; P448-V454 HydrophobicContact CG-CG2 3.79Å
449R98.6Very high95.3Very high138 Ų13872.3 Ų72.352%0.52135%0.352SS..PPolyproline II helixtrans-72.2164.7166.4-68.7178.2-179.3-144.7-1110.5Q21 Q421 T451 E452Q21-R449 HydrophobicContact CB-CG 4.49Å; Q21-R449 HydrophobicContact CG-CG 4.02Å; Q21-R449 VanDerWaalsContact OE1-NE 3.11Å; Q421-R449 VanDerWaalsContact NE2-NH2 3.2Å; R449-T451 PolarHBondContact O-N 2.69Å; R449-E452 HydrophobicContact CB-CB 4.29Å; R449-E452 PolarHBondContact N-OE2 3Å; R449-E452 VanDerWaalsContact O-CB 3.29Å; R449-E452 WeakPolarHBondContact O-CB 3.43Å; R449-E452 PolarHBondContact O-N 2.87Å
450N98.4Very high94.2Very high21 Ų2166.1 Ų66.111%0.11233%0.329CS..THydrogen-bonded Turntrans-48.3138163.4-72.4-20.3000110.5P16 G18 A19 G20 E22 Y55 E452P16-N450 CarbonylContact O-C 3.57Å; P16-N450 WeakPolarHBondContact O-CA 3.43Å; G18-N450 VanDerWaalsContact C-OD1 3.23Å; G18-N450 WeakPolarHBondContact CA-OD1 3.37Å; G18-N450 PolarHBondContact N-OD1 2.95Å; A19-N450 PolarHBondContact N-OD1 3.02Å; G20-N450 WeakPolarHBondContact CA-OD1 3.48Å; G20-N450 PolarHBondContact N-OD1 2.74Å; G20-N450 PolarHBondContact O-N 2.84Å; E22-N450 PolarHBondContact OE1-ND2 3.36Å; E22-N450 PolarHBondContact OE2-ND2 3.32Å; Y55-N450 HydrophobicContact CD2-CB 3.86Å; Y55-N450 HydrophobicContact CE2-CB 3.69Å; N450-E452 PolarHBondContact O-N 3.42Å; N450-E452 VanDerWaalsContact O-N 3.16Å
451T98Very high93.2Very high67 Ų6766 Ų6641%0.41133%0.328SS..THydrogen-bonded Turntrans71.7-14.3-177.181.40000115.9P16 Y55 L58 R449P16-T451 PolarHBondContact O-N 3.35Å; Y55-T451 HydrophobicContact CD2-CG2 4.07Å; Y55-T451 HydrophobicContact CG-CG2 4.04Å; L58-T451 HydrophobicContact CD1-CG2 3.36Å; R449-T451 PolarHBondContact O-N 2.69Å
452E98.4Very high92.4Very high99 Ų9971.6 Ų71.646%0.46335%0.352SS..PPolyproline II helixtrans-77.6124.1179.3-171.2-176.8172.700110.8P16 P448 R449 N450P16-E452 VanDerWaalsContact CD-O 3.32Å; P16-E452 WeakPolarHBondContact CD-O 3.42Å; P448-E452 HydrophobicContact CB-CB 4.13Å; P448-E452 HydrophobicContact CB-CG 4.34Å; R449-E452 HydrophobicContact CB-CB 4.29Å; R449-E452 PolarHBondContact N-OE2 3Å; R449-E452 VanDerWaalsContact O-CB 3.29Å; R449-E452 WeakPolarHBondContact O-CB 3.43Å; R449-E452 PolarHBondContact O-N 2.87Å; N450-E452 PolarHBondContact O-N 3.42Å; N450-E452 VanDerWaalsContact O-N 3.16Å
453A97.7Very high91.6Very high38 Ų3870.9 Ų70.931%0.31435%0.352SS..PPolyproline II helixtrans-92.9127.1-179.200000111.8L13 I14 R15L13-A453 HydrophobicContact CD1-CB 3.93Å; L13-A453 HydrophobicContact CD2-CB 3.88Å; L13-A453 HydrophobicContact CG-CB 3.86Å; I14-A453 CarbonylContact O-C 3.57Å; I14-A453 WeakPolarHBondContact O-CA 3.23Å; R15-A453 HydrophobicContact CB-CB 4.48Å
454V98.3Very high91Very high14 Ų1472.6 Ų72.69%0.08537%0.369CS..EExtended strand (participates in β ladder)trans-86.1120.3164.3-176.60000107.9L13 I14 I415 H446 P448 L456L13-V454 WeakPolarHBondContact CA-O 3.24Å; I14-V454 PolarHBondContact N-O 2.87Å; I14-V454 PolarHBondContact O-N 3.44Å; I415-V454 HydrophobicContact CD1-CG1 4.34Å; H446-V454 HydrophobicContact CB-CG1 4.49Å; H446-V454 HydrophobicContact CB-CG2 4.1Å; P448-V454 HydrophobicContact CB-CG2 3.92Å; P448-V454 HydrophobicContact CG-CG2 3.79Å; V454-L456 HydrophobicContact CG1-CD2 3.97Å; V454-L456 HydrophobicContact CG1-CG 4.11Å
455T97.8Very high90.5Very high71 Ų7175.2 Ų75.244%0.43638%0.379SS..EExtended strand (participates in β ladder)trans-108.7118.5179.6-57.10000109.8Q11Q11-T455 HydrophobicContact CB-CG2 4.4Å; Q11-T455 HydrophobicContact CG-CG2 4.18Å
456L95.8Very high90Very high9 Ų976.9 Ų76.95%0.04739%0.389CS..EExtended strand (participates in β ladder)trans-117.8146.4179.6-56.2178.7000109.5Q11 L12 I200 H413 V454 F458Q11-L456 WeakPolarHBondContact CA-O 3.48Å; L12-L456 PolarHBondContact N-O 3.13Å; L12-L456 PolarHBondContact O-N 3.33Å; I200-L456 HydrophobicContact CD1-CD1 3.87Å; I200-L456 HydrophobicContact CG1-CD1 3.9Å; H413-L456 HydrophobicContact CB-CD1 3.94Å; V454-L456 HydrophobicContact CG1-CD2 3.97Å; V454-L456 HydrophobicContact CG1-CG 4.11Å; L456-F458 HydrophobicContact CB-CD2 4.21Å; L456-F458 HydrophobicContact CB-CE2 3.6Å; L456-F458 HydrophobicContact CB-CZ 4.46Å; L456-F458 HydrophobicContact CD1-CE2 4.08Å; L456-F458 HydrophobicContact CD1-CZ 4.44Å
457N94.1Very high89.3Confident110 Ų11078.3 Ų78.359%0.58840%0.397SS*.EExtended strand (participates in β ladder)trans-110.7117.2179.7-68.6-73.8000110.4D10 Q11D10-N457 CarbonylContact O-C 3.59Å; D10-N457 WeakPolarHBondContact O-CA 3.14Å; Q11-N457 VanDerWaalsContact CG-OD1 3.25Å; Q11-N457 WeakPolarHBondContact CG-OD1 3.33Å
458F90.4Very high88.7Confident34 Ų3477.5 Ų77.515%0.14940%0.396CS..  trans-115.8102.3176.3-70.7-85.1000110.2D10 L12 F32 V172 D199 I200 L456 G460D10-F458 WeakPolarHBondContact CB-O 3.5Å; D10-F458 PolarHBondContact O-N 3.21Å; L12-F458 HydrophobicContact CB-CD2 3.97Å; L12-F458 HydrophobicContact CB-CE2 4.31Å; L12-F458 HydrophobicContact CD1-CD2 4.22Å; L12-F458 HydrophobicContact CD1-CE2 4.26Å; F32-F458 HydrophobicContact CE2-CB 4.42Å; F32-F458 HydrophobicContact CZ-CB 4.1Å; V172-F458 HydrophobicContact CG1-CD1 4Å; V172-F458 HydrophobicContact CG1-CD2 4.1Å; V172-F458 HydrophobicContact CG1-CE1 4.09Å; V172-F458 HydrophobicContact CG1-CE2 4.19Å; V172-F458 HydrophobicContact CG1-CG 4.01Å; V172-F458 HydrophobicContact CG1-CZ 4.18Å; V172-F458 HydrophobicContact CG2-CB 3.61Å; V172-F458 HydrophobicContact CG2-CD1 3.91Å; V172-F458 HydrophobicContact CG2-CD2 4.44Å; V172-F458 HydrophobicContact CG2-CG 3.73Å; D199-F458 HydrophobicContact CB-CE1 3.91Å; D199-F458 HydrophobicContact CB-CZ 4.31Å; I200-F458 HydrophobicContact CD1-CE2 3.65Å; I200-F458 HydrophobicContact CD1-CZ 3.8Å; I200-F458 HydrophobicContact CG1-CE2 4.09Å; I200-F458 HydrophobicContact CG1-CZ 3.72Å; L456-F458 HydrophobicContact CB-CD2 4.21Å; L456-F458 HydrophobicContact CB-CE2 3.6Å; L456-F458 HydrophobicContact CB-CZ 4.46Å; L456-F458 HydrophobicContact CD1-CE2 4.08Å; L456-F458 HydrophobicContact CD1-CZ 4.44Å; F458-G460 PolarHBondContact O-N 3.46Å
459R78.3Confident88.1Confident221 Ų22184 Ų8483%0.83442%0.424SS*.  trans-83.895.7171.5-67.4-176.8-178.4172.43.1108.9D10D10-R459 HydrophobicContact CB-CG 4.47Å
460G66.4Low87.5Confident43 Ų4379.2 Ų79.244%0.44341%0.409SS..  trans-82.8127.3170.800000110.7F458 K462F458-G460 PolarHBondContact O-N 3.46Å; G460-K462 PolarHBondContact O-N 2.78Å
461E70.4Confident86.8Confident176 Ų17680.5 Ų80.582%0.82242%0.422SS*.  trans-61.4125.6163.7-69.7-172.8171.100109L463E461-L463 PolarHBondContact O-N 3.41Å
462K74.3Confident86.2Confident130 Ų13083 Ų8357%0.56543%0.433SS*.  trans-77.9107.6177.1-67.8179-175167.90109.3E8 G460 Y492E8-K462 WeakPolarHBondContact OE2-CE 3.42Å; E8-K462 IonicContact OE2-NZ 3.02Å; E8-K462 PolarHBondContact OE2-NZ 3.44Å; G460-K462 PolarHBondContact O-N 2.78Å; K462-Y492 HydrophobicContact CB-CE2 4.38Å; K462-Y492 HydrophobicContact CD-CE2 4.15Å; K462-Y492 HydrophobicContact CG-CE2 4.22Å
463L78.1Confident85.4Confident138 Ų13886.2 Ų86.272%0.72345%0.445SS*.  trans-87.6118.3176.4-66.5159.7000109.5E461E461-L463 PolarHBondContact O-N 3.41Å
464A84.9Confident84.6Confident56 Ų5693.4 Ų93.446%0.46347%0.469SS..EExtended strand (participates in β ladder)trans-107130.4170.400000110.3L485 Y492A464-L485 HydrophobicContact CB-CD1 4.09Å; A464-Y492 WeakPolarHBondContact CA-O 3.32Å
465K87.4Confident83.7Confident144 Ų14495.2 Ų95.263%0.62648%0.482SS*.EExtended strand (participates in β ladder)trans-94.9125.8177.1-66.8-179-179.6177.60110.5Y492 H493 I494K465-Y492 PolarHBondContact N-O 2.9Å; K465-H493 CarbonylContact O-C 3.43Å; K465-H493 WeakPolarHBondContact O-CA 3.41Å; K465-I494 PolarHBondContact O-N 3.02Å
466V87.6Confident83.2Confident44 Ų4499.1 Ų99.127%0.26750%0.495SS..EExtended strand (participates in β ladder)trans-69.5132166.7-69.10000109.6L470 A471 P475 V481 I494V466-L470 HydrophobicContact CB-CB 4.47Å; V466-A471 HydrophobicContact CG2-CB 4.29Å; V466-P475 HydrophobicContact CG1-CG 4.33Å; V466-P475 HydrophobicContact CG2-CG 3.97Å; V466-V481 HydrophobicContact CG1-CG1 4.14Å; V466-I494 HydrophobicContact CB-CG2 3.99Å; V466-I494 HydrophobicContact CG1-CG2 3.32Å
467M83.3Confident82.6Confident59 Ų59108.7 Ų108.729%0.29154%0.539SS..EExtended strand (participates in β ladder)trans-136.5162178.7-58.6-129-6100111.2I494 L495 Y503M467-I494 PolarHBondContact N-O 2.69Å; M467-I494 VanDerWaalsContact N-O 3.09Å; M467-L495 HydrophobicContact CB-CD2 3.63Å; M467-Y503 HydrophobicContact CE-CD1 3.64Å; M467-Y503 HydrophobicContact CE-CE1 4.16Å; M467-Y503 HydrophobicContact CE-CG 4.22Å
468G86.6Confident82.3Confident13 Ų13107.4 Ų107.413%0.13455%0.552CS.*G310 helixtrans68.6-143.8-178.300000112.7L470 A471 D499G468-L470 PolarHBondContact O-N 3.27Å; G468-L470 VanDerWaalsContact O-N 3.15Å; G468-A471 WeakPolarHBondContact O-CB 3.49Å; G468-A471 PolarHBondContact O-N 3.43Å; G468-D499 WeakPolarHBondContact CA-OD2 3.22Å
469F86.3Confident82.1Confident140 Ų140110.8 Ų110.861%0.61457%0.568SS**G310 helixtrans-55.4-32.9-178.5-179.3-102.2000113.4A471 D472 D499F469-A471 PolarHBondContact O-N 3.33Å; F469-D472 WeakPolarHBondContact CD2-OD2 3.35Å; F469-D472 WeakPolarHBondContact O-CB 3.36Å; F469-D472 PolarHBondContact O-N 2.78Å; F469-D499 WeakPolarHBondContact CB-OD2 3.29Å; F469-D499 PolarHBondContact N-OD2 3.32Å
470L84.9Confident82.4Confident37 Ų37110.5 Ų110.519%0.19457%0.568CS.*G310 helixtrans-66.3-16.8176.6-72.7171.8000113.2V466 G468 I494V466-L470 HydrophobicContact CB-CB 4.47Å; G468-L470 PolarHBondContact O-N 3.27Å; G468-L470 VanDerWaalsContact O-N 3.15Å; L470-I494 HydrophobicContact CD1-CG1 4.24Å
471A84.9Confident83.3Confident47 Ų47111.4 Ų111.439%0.38856%0.564SS.*G310 helixtrans-98.2-4.3178.700000113.5V466 G468 F469 K473V466-A471 HydrophobicContact CG2-CB 4.29Å; G468-A471 WeakPolarHBondContact O-CB 3.49Å; G468-A471 PolarHBondContact O-N 3.43Å; F469-A471 PolarHBondContact O-N 3.33Å; A471-K473 PolarHBondContact O-N 2.68Å
472D84.4Confident84.2Confident120 Ų120106.3 Ų106.364%0.64255%0.548SS*.SBendtrans-59.1-31.9180-75.1-5.3000112.2F469F469-D472 WeakPolarHBondContact CD2-OD2 3.35Å; F469-D472 WeakPolarHBondContact O-CB 3.36Å; F469-D472 PolarHBondContact O-N 2.78Å
473K81.1Confident84.9Confident167 Ų167101.9 Ų101.973%0.72654%0.539SS*.SBendtrans-117.9133.1168.9-68.1-175.7-179.3-179.60109.1A471 P475A471-K473 PolarHBondContact O-N 2.68Å; K473-P475 WeakPolarHBondContact O-CD 3.48Å
474K81.3Confident85.4Confident188 Ų18898.1 Ų98.182%0.81752%0.519SS*.PPolyproline II helixtrans-58.8126173.9-173.5174.9179.4-178.20108.9E476K474-E476 PolarHBondContact O-N 3.48Å
475P80.4Confident85.6Confident53 Ų53100.3 Ų100.334%0.34452%0.523SS..PPolyproline II helixtrans-62.7134.7179-20.831000111.3V466 K473 V481V466-P475 HydrophobicContact CG1-CG 4.33Å; V466-P475 HydrophobicContact CG2-CG 3.97Å; K473-P475 WeakPolarHBondContact O-CD 3.48Å; P475-V481 HydrophobicContact CB-CG2 4.44Å
476E86.2Confident85.7Confident153 Ų15394.7 Ų94.772%0.71550%0.5SS*.PPolyproline II helixtrans-97.6152.9174.1-66.7-178.4-179.300111.3K474 G478 Q479K474-E476 PolarHBondContact O-N 3.48Å; E476-G478 PolarHBondContact O-N 2.76Å; E476-Q479 WeakPolarHBondContact O-CB 3.47Å; E476-Q479 PolarHBondContact O-N 3.18Å
477Q84.3Confident85.6Confident209 Ų20995.9 Ų95.998%0.97750%0.502SS*.THydrogen-bonded Turntrans-63.3128178.5-173.7170.61.400110.4Q479Q477-Q479 VanDerWaalsContact C-N 3.33Å
478G86.3Confident85.5Confident84 Ų84101.6 Ų101.687%0.86652%0.52SS*.THydrogen-bonded Turntrans88.3-7.4-175.600000114.4E476E476-G478 PolarHBondContact O-N 2.76Å
479Q86Confident85.3Confident104 Ų104103.7 Ų103.749%0.48653%0.529SS..PPolyproline II helixtrans-70.5133.3172.1-171.1-178.11.400110.5E476 Q477 V481E476-Q479 WeakPolarHBondContact O-CB 3.47Å; E476-Q479 PolarHBondContact O-N 3.18Å; Q477-Q479 VanDerWaalsContact C-N 3.33Å; Q479-V481 PolarHBondContact O-N 2.66Å
480R86.1Confident85.1Confident216 Ų21698.5 Ų98.582%0.81551%0.506SS*.PPolyproline II helixtrans-72.5119.9173.1-170.9178.9-175-118.13.6109.8
481V85.8Confident85Confident61 Ų61101 Ų10137%0.3752%0.52SS..PPolyproline II helixtrans-103.4123.2169.9-174.90000108.3V466 P475 Q479 I494V466-V481 HydrophobicContact CG1-CG1 4.14Å; P475-V481 HydrophobicContact CB-CG2 4.44Å; Q479-V481 PolarHBondContact O-N 2.66Å; V481-I494 HydrophobicContact CG1-CD1 3.89Å
482S88.1Confident85.1Confident70 Ų70100.3 Ų100.349%0.4951%0.507SS..  trans-128.7127.1177.757.70000110.4
483G88.4Confident85.3Confident37 Ų3796.9 Ų96.938%0.38149%0.487SS..  trans-172.1-174.6-179.400000111.4L495G483-L495 CarbonylContact C-O 3.58Å; G483-L495 VanDerWaalsContact CA-O 3.26Å; G483-L495 WeakPolarHBondContact CA-O 3.3Å
484I88.6Confident85.8Confident59 Ų5990.3 Ų90.330%0.30346%0.459SS..EExtended strand (participates in β ladder)trans-87.1126172.7-59.2179.8000108V486 I494 L495 P497 L500I484-V486 HydrophobicContact CG2-CG2 4.12Å; I484-I494 WeakPolarHBondContact O-CA 3.35Å; I484-L495 PolarHBondContact N-O 3.13Å; I484-L495 PolarHBondContact O-N 3.47Å; I484-P497 HydrophobicContact CD1-CB 3.96Å; I484-P497 HydrophobicContact CD1-CG 4.1Å; I484-P497 HydrophobicContact CG1-CG 4.12Å; I484-L500 HydrophobicContact CD1-CD2 4.23Å; I484-L500 HydrophobicContact CG2-CD1 4.33Å
485L90.4Very high86.2Confident102 Ų10281.4 Ų81.453%0.53442%0.421SS..EExtended strand (participates in β ladder)trans-89.4118.9173.1-172.576.6000109.4A464 Y492 H493 I494A464-L485 HydrophobicContact CB-CD1 4.09Å; L485-Y492 HydrophobicContact CD1-CD1 4.49Å; L485-Y492 HydrophobicContact CD2-CD1 4.08Å; L485-Y492 HydrophobicContact CG-CD1 4.34Å; L485-H493 CarbonylContact C-O 3.49Å; L485-H493 WeakPolarHBondContact CA-O 2.94Å; L485-I494 HydrophobicContact CD1-CB 4.25Å
486V88.3Confident86.6Confident26 Ų2679.7 Ų79.716%0.15841%0.41CS..EExtended strand (participates in β ladder)trans-108.9124.1177.3-177.40000108.9I484 H493 L495 L500 T504I484-V486 HydrophobicContact CG2-CG2 4.12Å; V486-H493 PolarHBondContact N-O 3.25Å; V486-H493 PolarHBondContact O-N 3.13Å; V486-L495 HydrophobicContact CG2-CD1 4Å; V486-L500 HydrophobicContact CG2-CD1 3.83Å; V486-T504 HydrophobicContact CG1-CG2 4.06Å; V486-T504 HydrophobicContact CG2-CG2 4.22Å
487K85.6Confident86.6Confident69 Ų6974.8 Ų74.830%0.339%0.392SS..EExtended strand (participates in β ladder)trans-102.1119.2173.9-177.9-175180-173.50108.3E7 E8 N489 N491 Y492E7-K487 IonicContact OE2-NZ 3.3Å; E7-K487 PolarHBondContact OE2-NZ 2.81Å; E8-K487 IonicContact OE1-NZ 3.99Å; E8-K487 PolarHBondContact OE1-NZ 2.91Å; E8-K487 VanDerWaalsContact OE1-NZ 3.15Å; K487-N489 WeakPolarHBondContact CE-O 3.11Å; K487-N489 WeakPolarHBondContact CG-O 3.23Å; K487-N491 WeakPolarHBondContact CA-O 3.36Å; K487-Y492 HydrophobicContact CB-CD1 4.03Å; K487-Y492 HydrophobicContact CB-CE1 3.92Å; K487-Y492 HydrophobicContact CD-CE1 3.75Å; K487-Y492 WeakPolarHBondContact CE-OH 3.34Å; K487-Y492 HydrophobicContact CG-CD1 4.14Å; K487-Y492 HydrophobicContact CG-CE1 3.71Å
488R82.7Confident86.6Confident178 Ų17869.7 Ų69.767%0.67238%0.378SS*.EExtended strand (participates in β ladder)trans-116.1107.3168.8-171.1176.3-177.8168.53.3107.9F490 N491R488-F490 PolarHBondContact O-N 3.13Å; R488-N491 PolarHBondContact N-O 2.95Å; R488-N491 PolarHBondContact O-N 3.26Å
489N82.4Confident86.7Confident58 Ų5866.7 Ų66.731%0.3134%0.342SS..THydrogen-bonded Turntrans54.5-116.4-167.6-57.9-28.9000110.5E145 G148 K487E145-N489 PolarHBondContact OE1-ND2 2.9Å; E145-N489 VanDerWaalsContact OE1-ND2 3.16Å; G148-N489 WeakPolarHBondContact CA-ND2 3.48Å; K487-N489 WeakPolarHBondContact CE-O 3.11Å; K487-N489 WeakPolarHBondContact CG-O 3.23Å
490F81.3Confident86.6Confident30 Ų3062.4 Ų62.413%0.13232%0.322CS..THydrogen-bonded Turntrans-99-0.9178.5-54.5-67000113.7K33 R35 G148 I169 A170 R488K33-F490 HydrophobicContact CB-CD1 4.42Å; K33-F490 HydrophobicContact CB-CE1 3.52Å; K33-F490 HydrophobicContact CB-CZ 4Å; K33-F490 HydrophobicContact CD-CD1 4.18Å; K33-F490 HydrophobicContact CD-CE1 4.09Å; K33-F490 HydrophobicContact CG-CE1 4.43Å; R35-F490 HydrophobicContact CG-CE2 4.4Å; R35-F490 HydrophobicContact CG-CZ 3.93Å; G148-F490 WeakPolarHBondContact O-CD2 3.19Å; I169-F490 HydrophobicContact CG2-CD2 4.26Å; I169-F490 HydrophobicContact CG2-CE2 3.63Å; I169-F490 HydrophobicContact CG2-CZ 3.77Å; A170-F490 HydrophobicContact CB-CB 3.96Å; A170-F490 HydrophobicContact CB-CD1 4.03Å; A170-F490 HydrophobicContact CB-CD2 4.44Å; A170-F490 HydrophobicContact CB-CG 3.87Å; R488-F490 PolarHBondContact O-N 3.13Å
491N82.1Confident86.6Confident91 Ų9155.8 Ų55.849%0.48731%0.309SS..EExtended strand (participates in β ladder)trans-90.9130.3178.3-69.1-45.8000110.8K487 R488K487-N491 WeakPolarHBondContact CA-O 3.36Å; R488-N491 PolarHBondContact N-O 2.95Å; R488-N491 PolarHBondContact O-N 3.26Å
492Y87.6Confident86.6Confident32 Ų3258.1 Ų58.113%0.12532%0.32CS..EExtended strand (participates in β ladder)trans-106.8131.3176.5-64.3-90.5000110.4E8 K462 A464 K465 L485 K487E8-Y492 PolarHBondContact OE1-OH 3.2Å; K462-Y492 HydrophobicContact CB-CE2 4.38Å; K462-Y492 HydrophobicContact CD-CE2 4.15Å; K462-Y492 HydrophobicContact CG-CE2 4.22Å; A464-Y492 WeakPolarHBondContact CA-O 3.32Å; K465-Y492 PolarHBondContact N-O 2.9Å; L485-Y492 HydrophobicContact CD1-CD1 4.49Å; L485-Y492 HydrophobicContact CD2-CD1 4.08Å; L485-Y492 HydrophobicContact CG-CD1 4.34Å; K487-Y492 HydrophobicContact CB-CD1 4.03Å; K487-Y492 HydrophobicContact CB-CE1 3.92Å; K487-Y492 HydrophobicContact CD-CE1 3.75Å; K487-Y492 WeakPolarHBondContact CE-OH 3.34Å; K487-Y492 HydrophobicContact CG-CD1 4.14Å; K487-Y492 HydrophobicContact CG-CE1 3.71Å
493H89.2Confident86.3Confident47 Ų4760.5 Ų60.522%0.21832%0.319CS..EExtended strand (participates in β ladder)trans-124.2136.9173-62.8-70.6000109.2K465 L485 V486K465-H493 CarbonylContact O-C 3.43Å; K465-H493 WeakPolarHBondContact O-CA 3.41Å; L485-H493 CarbonylContact C-O 3.49Å; L485-H493 WeakPolarHBondContact CA-O 2.94Å; V486-H493 PolarHBondContact N-O 3.25Å; V486-H493 PolarHBondContact O-N 3.13Å
494I90.5Very high86.1Confident29 Ų2960 Ų6015%0.14931%0.308CS..EExtended strand (participates in β ladder)trans-109.4124.1170.5-172.5166.9000108.6K465 V466 M467 L470 V481 I484 L485K465-I494 PolarHBondContact O-N 3.02Å; V466-I494 HydrophobicContact CB-CG2 3.99Å; V466-I494 HydrophobicContact CG1-CG2 3.32Å; M467-I494 PolarHBondContact N-O 2.69Å; M467-I494 VanDerWaalsContact N-O 3.09Å; L470-I494 HydrophobicContact CD1-CG1 4.24Å; V481-I494 HydrophobicContact CG1-CD1 3.89Å; I484-I494 WeakPolarHBondContact O-CA 3.35Å; L485-I494 HydrophobicContact CD1-CB 4.25Å
495L90.1Very high85.8Confident2 Ų264.9 Ų64.91%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-125150.2-170.7-70.4166000110.4M467 G483 I484 V486 D499 L500 Y503 T504M467-L495 HydrophobicContact CB-CD2 3.63Å; G483-L495 CarbonylContact C-O 3.58Å; G483-L495 VanDerWaalsContact CA-O 3.26Å; G483-L495 WeakPolarHBondContact CA-O 3.3Å; I484-L495 PolarHBondContact N-O 3.13Å; I484-L495 PolarHBondContact O-N 3.47Å; V486-L495 HydrophobicContact CG2-CD1 4Å; L495-D499 HydrophobicContact CD2-CB 4.43Å; L495-L500 HydrophobicContact CD1-CD1 4.36Å; L495-Y503 HydrophobicContact CD2-CD2 3.74Å; L495-Y503 HydrophobicContact CD2-CE2 4.48Å; L495-Y503 HydrophobicContact CD2-CG 4Å; L495-T504 HydrophobicContact CD1-CG2 3.85Å
496S88.4Confident85.4Confident16 Ų1665 Ų6511%0.11234%0.335CS..  trans-66.7144.8163.5-179.70000109.2C498 D499 L500S496-C498 PolarHBondContact O-N 3.2Å; S496-C498 VanDerWaalsContact O-N 3.11Å; S496-D499 PolarHBondContact O-N 3.13Å; S496-L500 PolarHBondContact O-N 2.91Å
497P86.5Confident84.7Confident51 Ų5167.3 Ų67.333%0.33136%0.358SS..G310 helixtrans-52.5-31.7172.9-25.433.1000113.6I484 D499 M508I484-P497 HydrophobicContact CD1-CB 3.96Å; I484-P497 HydrophobicContact CD1-CG 4.1Å; I484-P497 HydrophobicContact CG1-CG 4.12Å; P497-D499 VanDerWaalsContact C-N 3.3Å; P497-D499 PolarHBondContact O-N 2.91Å; P497-M508 HydrophobicContact CB-CE 3.77Å; P497-M508 HydrophobicContact CB-SD 4.31Å
498C85.1Confident84.3Confident102 Ų10269.7 Ų69.769%0.68937%0.371SS*.G310 helixtrans-71.2-24178.5-53.50000113.4S496S496-C498 PolarHBondContact O-N 3.2Å; S496-C498 VanDerWaalsContact O-N 3.11Å
499D87.1Confident84.1Confident21 Ų2166.4 Ų66.411%0.11238%0.375CS..G310 helixtrans-94.4-3.1-177.4-75.2-46000112.8G468 F469 L495 S496 P497 S501 N502 Y503G468-D499 WeakPolarHBondContact CA-OD2 3.22Å; F469-D499 WeakPolarHBondContact CB-OD2 3.29Å; F469-D499 PolarHBondContact N-OD2 3.32Å; L495-D499 HydrophobicContact CD2-CB 4.43Å; S496-D499 PolarHBondContact O-N 3.13Å; P497-D499 VanDerWaalsContact C-N 3.3Å; P497-D499 PolarHBondContact O-N 2.91Å; D499-S501 VanDerWaalsContact C-N 3.32Å; D499-S501 PolarHBondContact O-N 2.89Å; D499-N502 WeakPolarHBondContact O-CB 3.42Å; D499-N502 PolarHBondContact O-N 3.4Å; D499-N502 PolarHBondContact OD1-ND2 2.99Å; D499-Y503 HydrophobicContact CB-CD2 3.93Å; D499-Y503 HydrophobicContact CB-CE2 4.03Å; D499-Y503 WeakPolarHBondContact O-CD2 3.45Å; D499-Y503 PolarHBondContact O-N 3.09Å
500L85.1Confident84.1Confident13 Ų1368.6 Ų68.67%0.06839%0.391CS..Hα-helixtrans-57.7-45.6-173.9-166.967.8000111.5I484 V486 L495 S496 N502 Y503 T504 L506 M508I484-L500 HydrophobicContact CD1-CD2 4.23Å; I484-L500 HydrophobicContact CG2-CD1 4.33Å; V486-L500 HydrophobicContact CG2-CD1 3.83Å; L495-L500 HydrophobicContact CD1-CD1 4.36Å; S496-L500 PolarHBondContact O-N 2.91Å; L500-N502 VanDerWaalsContact C-N 3.27Å; L500-N502 PolarHBondContact O-N 3.48Å; L500-Y503 PolarHBondContact O-N 3.25Å; L500-T504 HydrophobicContact CD1-CG2 4.06Å; L500-T504 WeakPolarHBondContact O-CA 3.35Å; L500-T504 WeakPolarHBondContact O-CB 3.12Å; L500-T504 PolarHBondContact O-N 3.27Å; L500-T504 PolarHBondContact O-OG1 3.36Å; L500-L506 HydrophobicContact CD2-CB 3.95Å; L500-L506 HydrophobicContact CG-CB 4.07Å; L500-M508 HydrophobicContact CB-CG 4.48Å; L500-M508 HydrophobicContact CD2-CG 4.22Å
501S85.3Confident84.6Confident77 Ų7771.5 Ų71.554%0.53841%0.411SS..Hα-helixtrans-72.1-17.3177.755.20000114.2D499 L506D499-S501 VanDerWaalsContact C-N 3.32Å; D499-S501 PolarHBondContact O-N 2.89Å; S501-L506 WeakPolarHBondContact CA-O 3.47Å
502N85.1Confident85.1Confident111 Ų11172.6 Ų72.659%0.59441%0.412SS*.Hα-helixtrans-81.8-29.8179.3-65.1-22.8000111.6D499 L500D499-N502 WeakPolarHBondContact O-CB 3.42Å; D499-N502 PolarHBondContact O-N 3.4Å; D499-N502 PolarHBondContact OD1-ND2 2.99Å; L500-N502 VanDerWaalsContact C-N 3.27Å; L500-N502 PolarHBondContact O-N 3.48Å
503Y83Confident85.5Confident119 Ų11974.9 Ų74.947%0.46742%0.424SS..Hα-helixtrans-120.2-6.8-173.1-63.6-81.9000114.2M467 L495 D499 L500M467-Y503 HydrophobicContact CE-CD1 3.64Å; M467-Y503 HydrophobicContact CE-CE1 4.16Å; M467-Y503 HydrophobicContact CE-CG 4.22Å; L495-Y503 HydrophobicContact CD2-CD2 3.74Å; L495-Y503 HydrophobicContact CD2-CE2 4.48Å; L495-Y503 HydrophobicContact CD2-CG 4Å; D499-Y503 HydrophobicContact CB-CD2 3.93Å; D499-Y503 HydrophobicContact CB-CE2 4.03Å; D499-Y503 WeakPolarHBondContact O-CD2 3.45Å; D499-Y503 PolarHBondContact O-N 3.09Å; L500-Y503 PolarHBondContact O-N 3.25Å
504T83Confident85.7Confident26 Ų2676.6 Ų76.616%0.1644%0.437CS..SBendtrans-137160.9178.176.10000110.8V486 L495 L500 L506V486-T504 HydrophobicContact CG1-CG2 4.06Å; V486-T504 HydrophobicContact CG2-CG2 4.22Å; L495-T504 HydrophobicContact CD1-CG2 3.85Å; L500-T504 HydrophobicContact CD1-CG2 4.06Å; L500-T504 WeakPolarHBondContact O-CA 3.35Å; L500-T504 WeakPolarHBondContact O-CB 3.12Å; L500-T504 PolarHBondContact O-N 3.27Å; L500-T504 PolarHBondContact O-OG1 3.36Å; T504-L506 PolarHBondContact O-N 3.44Å; T504-L506 WeakPolarHBondContact OG1-CB 3.31Å; T504-L506 PolarHBondContact OG1-N 3.21Å
505D83.5Confident85.9Confident163 Ų16378.8 Ų78.887%0.87245%0.447SS*.SBendtrans-75.33.7173.2-53-46.3000112.4
506L80.6Confident86.2Confident103 Ų10381.8 Ų81.854%0.53947%0.472SS..PPolyproline II helixtrans-89.1129.1179.7-56.8174.7000110.3L500 S501 T504L500-L506 HydrophobicContact CD2-CB 3.95Å; L500-L506 HydrophobicContact CG-CB 4.07Å; S501-L506 WeakPolarHBondContact CA-O 3.47Å; T504-L506 PolarHBondContact O-N 3.44Å; T504-L506 WeakPolarHBondContact OG1-CB 3.31Å; T504-L506 PolarHBondContact OG1-N 3.21Å
507A75.4Confident86.4Confident76 Ų7681.3 Ų81.363%0.62847%0.468SS*.PPolyproline II helixtrans-100.4138.9172.700000110.9S509A507-S509 PolarHBondContact O-N 3.11Å
508M75.5Confident86.7Confident118 Ų11883.2 Ų83.258%0.58148%0.48SS*.PPolyproline II helixtrans-73.3122.1168.7-77.2-91.6-74.500109.2P497 L500P497-M508 HydrophobicContact CB-CE 3.77Å; P497-M508 HydrophobicContact CB-SD 4.31Å; L500-M508 HydrophobicContact CB-CG 4.48Å; L500-M508 HydrophobicContact CD2-CG 4.22Å
509S78.8Confident86.9Confident109 Ų10978.7 Ų78.776%0.76245%0.449SS*.  trans-116.5137.2173.4-63.60000109.3A507A507-S509 PolarHBondContact O-N 3.11Å
510T83.7Confident86.9Confident105 Ų10582.2 Ų82.264%0.64447%0.471SS*.  trans-111.3130.7173.8-50.80000108.7L568T510-L568 HydrophobicContact CG2-CB 4.41Å; T510-L568 HydrophobicContact CG2-CD1 4.34Å; T510-L568 HydrophobicContact CG2-CD2 3.85Å; T510-L568 HydrophobicContact CG2-CG 4.42Å
511V91Very high86.7Confident90 Ų9082.1 Ų82.155%0.54547%0.473SS..PPolyproline II helixtrans-95.2116.8175.8-178.90000108.1Q513 A569V511-Q513 HydrophobicContact CG1-CG 4.27Å; V511-A569 HydrophobicContact CB-CB 4.15Å; V511-A569 HydrophobicContact CG1-CB 4.24Å; V511-A569 WeakPolarHBondContact O-CB 3.15Å; V511-A569 PolarHBondContact O-N 3.22Å
512K93.3Very high86.8Confident115 Ų11582.3 Ų82.350%0.547%0.473SS..EExtended strand (participates in β ladder)trans-89.8124.5166.3-172.7-176.2179.1-166.60107.8E566 W567 L568K512-E566 VanDerWaalsContact CE-CD 3.5Å; K512-E566 WeakPolarHBondContact CE-OE2 3.5Å; K512-E566 IonicContact NZ-OE1 3.31Å; K512-E566 PolarHBondContact NZ-OE1 3.04Å; K512-E566 IonicContact NZ-OE2 3.54Å; K512-E566 PolarHBondContact NZ-OE2 2.84Å; K512-W567 CarbonylContact C-O 3.58Å; K512-W567 WeakPolarHBondContact CA-O 3.26Å; K512-L568 HydrophobicContact CB-CD2 4.18Å; K512-L568 HydrophobicContact CG-CD2 4.37Å
513Q94.8Very high86.8Confident80 Ų8077.9 Ų77.937%0.37445%0.448SS..EExtended strand (participates in β ladder)trans-99.3143.6173-77.7-175.35.900110.2V511 E566 W567 A569V511-Q513 HydrophobicContact CG1-CG 4.27Å; Q513-E566 WeakPolarHBondContact O-CA 3.4Å; Q513-W567 HydrophobicContact CB-CD2 4.06Å; Q513-W567 HydrophobicContact CB-CE3 4.38Å; Q513-W567 HydrophobicContact CB-CH2 4.07Å; Q513-W567 HydrophobicContact CB-CZ2 3.72Å; Q513-W567 HydrophobicContact CB-CZ3 4.38Å; Q513-W567 PolarHBondContact N-O 3.43Å; Q513-W567 PolarHBondContact O-N 3.24Å; Q513-A569 HydrophobicContact CG-CB 3.96Å
514T94.3Very high86.9Confident83 Ų8377.9 Ų77.951%0.50946%0.456SS..EExtended strand (participates in β ladder)trans-132.7126.7177.4-590000108.4V564 L565 E566T514-V564 HydrophobicContact CG2-CG1 3.41Å; T514-V564 VanDerWaalsContact CG2-CG1 3.41Å; T514-L565 CarbonylContact C-O 3.54Å; T514-L565 VanDerWaalsContact CA-O 3.23Å; T514-L565 WeakPolarHBondContact CA-O 3.37Å; T514-E566 HydrophobicContact CG2-CG 4.12Å
515Q95.2Very high87Confident75 Ų7577.2 Ų77.235%0.3545%0.452SS..EExtended strand (participates in β ladder)trans-126.6124.7178.9-170.6177.432.900110.5I517 V564 L565 W567 T581Q515-I517 HydrophobicContact CG-CG1 4.15Å; Q515-V564 WeakPolarHBondContact O-CA 3.48Å; Q515-L565 HydrophobicContact CB-CB 4.48Å; Q515-L565 PolarHBondContact N-O 3Å; Q515-L565 PolarHBondContact O-N 3.32Å; Q515-W567 HydrophobicContact CB-CH2 4Å; Q515-W567 HydrophobicContact CB-CZ3 3.9Å; Q515-T581 PolarHBondContact OE1-OG1 3.24Å; Q515-T581 VanDerWaalsContact OE1-OG1 3.07Å
516A94.9Very high87.2Confident64 Ų6469.5 Ų69.553%0.52941%0.41SS..EExtended strand (participates in β ladder)trans-92.9122.3174.700000110.1M562A516-M562 HydrophobicContact CB-CE 3.29Å; A516-M562 HydrophobicContact CB-SD 4.36Å
517I94.1Very high87.5Confident7 Ų767.2 Ų67.24%0.03640%0.395CS..EExtended strand (participates in β ladder)trans-120.3122.8179.6-52.5178.8000109.4Q515 Y519 M562 V563 L565 T581 I584 L585Q515-I517 HydrophobicContact CG-CG1 4.15Å; I517-Y519 PolarHBondContact O-N 2.92Å; I517-M562 CarbonylContact O-C 3.02Å; I517-M562 VanDerWaalsContact O-CA 3.29Å; I517-M562 WeakPolarHBondContact O-CA 3.42Å; I517-M562 VanDerWaalsContact O-CB 3.29Å; I517-M562 WeakPolarHBondContact O-CB 3.42Å; I517-V563 HydrophobicContact CB-CG2 4.16Å; I517-V563 PolarHBondContact N-O 2.74Å; I517-V563 PolarHBondContact O-N 2.79Å; I517-L565 HydrophobicContact CD1-CD1 3.52Å; I517-L565 HydrophobicContact CD1-CD2 4.28Å; I517-L565 HydrophobicContact CG1-CD1 4.01Å; I517-T581 HydrophobicContact CD1-CG2 3.71Å; I517-T581 WeakPolarHBondContact CD1-OG1 3.5Å; I517-I584 HydrophobicContact CB-CG2 4.21Å; I517-I584 HydrophobicContact CD1-CD1 4.25Å; I517-I584 HydrophobicContact CD1-CG2 4.42Å; I517-I584 HydrophobicContact CG2-CG2 3.7Å; I517-L585 HydrophobicContact CG2-CD2 3.76Å; I517-L585 HydrophobicContact CG2-CG 4.33Å
518P91.2Very high88Confident90 Ų9067.6 Ų67.658%0.58438%0.381SS*.EExtended strand (participates in β ladder)trans-58.1122.8175.2-24.434.2000111.7Q588P518-Q588 WeakPolarHBondContact O-CG 3.41Å
519Y90.8Very high88.5Confident8 Ų864 Ų643%0.03136%0.363CS..  trans-148.2123.5-177.2-174.9-102.9000110.4I517 G521 P522 L526 G561 M562 V563 I584 V587 Q588I517-Y519 PolarHBondContact O-N 2.92Å; Y519-G521 VanDerWaalsContact CE1-C 3.46Å; Y519-G521 WeakPolarHBondContact CE1-O 3.49Å; Y519-P522 PolarHBondContact OH-O 2.83Å; Y519-L526 HydrophobicContact CE1-CB 4.36Å; Y519-G561 PolarHBondContact N-O 3.32Å; Y519-G561 VanDerWaalsContact N-O 3.09Å; Y519-G561 CarbonylContact O-C 3.59Å; Y519-M562 PolarHBondContact O-N 3.08Å; Y519-V563 HydrophobicContact CD1-CG1 3.88Å; Y519-V563 HydrophobicContact CG-CG1 4.19Å; Y519-I584 HydrophobicContact CD2-CG2 4.13Å; Y519-V587 HydrophobicContact CE2-CB 4.23Å; Y519-V587 HydrophobicContact CE2-CG1 3.8Å; Y519-Q588 VanDerWaalsContact CA-OE1 3.31Å; Y519-Q588 HydrophobicContact CD2-CB 4.21Å
520T86.4Confident89Confident94 Ų9458.9 Ų58.958%0.57733%0.326SS*.  trans-121.69.1-176.555.80000112.9Q588 R594T520-Q588 PolarHBondContact OG1-NE2 2.99Å; T520-R594 PolarHBondContact OG1-NH1 3.36Å
521G81.8Confident89.1Confident11 Ų1157.3 Ų57.311%0.11331%0.312CS..SBendtrans-82167.117600000113.1Y519Y519-G521 VanDerWaalsContact CE1-C 3.46Å; Y519-G521 WeakPolarHBondContact CE1-O 3.49Å
522P85.8Confident88.8Confident82 Ų8258.6 Ų58.653%0.53231%0.31SS..  trans-64.9136.6171.1-18.331.7000111.4Y519 N524 L525Y519-P522 PolarHBondContact OH-O 2.83Å; P522-N524 VanDerWaalsContact C-N 3.3Å; P522-N524 PolarHBondContact O-N 2.87Å; P522-L525 WeakPolarHBondContact O-CB 3.3Å; P522-L525 PolarHBondContact O-N 3.31Å
523F86.3Confident88.4Confident17 Ų1756.5 Ų56.58%0.07530%0.304CS..Hα-helixtrans-62.3-34.6-177.2-160.4-120.6000113.5L525 L526 Y527 P546 L548 Q558 V563F523-L525 PolarHBondContact O-N 3Å; F523-L526 HydrophobicContact CD2-CD2 4.36Å; F523-L526 HydrophobicContact CE2-CD2 4.22Å; F523-L526 WeakPolarHBondContact O-CA 3.33Å; F523-L526 WeakPolarHBondContact O-CB 3.37Å; F523-L526 PolarHBondContact O-N 3.24Å; F523-Y527 PolarHBondContact O-N 3.38Å; F523-P546 HydrophobicContact CD1-CB 3.73Å; F523-P546 HydrophobicContact CE1-CB 3.64Å; F523-P546 HydrophobicContact CZ-CB 4.49Å; F523-L548 HydrophobicContact CE1-CD1 4.21Å; F523-L548 HydrophobicContact CE1-CD2 4.02Å; F523-L548 HydrophobicContact CE1-CG 3.71Å; F523-L548 HydrophobicContact CE2-CD1 4.47Å; F523-L548 HydrophobicContact CZ-CD1 4.02Å; F523-L548 HydrophobicContact CZ-CD2 4.43Å; F523-L548 HydrophobicContact CZ-CG 3.63Å; F523-Q558 HydrophobicContact CB-CG 4.47Å; F523-Q558 VanDerWaalsContact CB-OE1 3.32Å; F523-Q558 HydrophobicContact CD1-CB 4.47Å; F523-Q558 HydrophobicContact CD2-CB 3.72Å; F523-Q558 HydrophobicContact CD2-CG 3.85Å; F523-Q558 HydrophobicContact CE1-CB 4.41Å; F523-Q558 HydrophobicContact CE2-CB 3.66Å; F523-Q558 HydrophobicContact CE2-CG 4.28Å; F523-Q558 HydrophobicContact CG-CB 4.14Å; F523-Q558 HydrophobicContact CG-CG 4.2Å; F523-Q558 HydrophobicContact CZ-CB 4.01Å; F523-V563 HydrophobicContact CE2-CG1 4.3Å
524N84.6Confident87.8Confident120 Ų12054.4 Ų54.464%0.64230%0.297SS*.Hα-helixtrans-61.5-28.8174.9-65.9-3000113.4P522 L526 Y528P522-N524 VanDerWaalsContact C-N 3.3Å; P522-N524 PolarHBondContact O-N 2.87Å; N524-L526 VanDerWaalsContact C-N 3.34Å; N524-Y528 PolarHBondContact O-N 3.5Å; N524-Y528 VanDerWaalsContact O-N 3.13Å
525L85.6Confident86.7Confident12 Ų1253.2 Ų53.26%0.06330%0.301CS..Hα-helixtrans-68.7-39.9173.5175.556.9000110.4P522 F523 Y528 Q529 V587 I593 R594 A597P522-L525 WeakPolarHBondContact O-CB 3.3Å; P522-L525 PolarHBondContact O-N 3.31Å; F523-L525 PolarHBondContact O-N 3Å; L525-Y528 PolarHBondContact O-N 3.38Å; L525-Q529 HydrophobicContact CD1-CG 4.2Å; L525-Q529 VanDerWaalsContact O-CG 3.31Å; L525-Q529 WeakPolarHBondContact O-CG 3.25Å; L525-Q529 PolarHBondContact O-N 2.66Å; L525-Q529 VanDerWaalsContact O-N 3.12Å; L525-V587 HydrophobicContact CD2-CG1 3.82Å; L525-V587 HydrophobicContact CG-CG1 4.02Å; L525-I593 HydrophobicContact CD1-CG2 4.4Å; L525-R594 HydrophobicContact CD2-CG 4.46Å; L525-A597 HydrophobicContact CB-CB 4.25Å; L525-A597 HydrophobicContact CD1-CB 3.6Å; L525-A597 HydrophobicContact CD2-CB 3.96Å; L525-A597 HydrophobicContact CG-CB 4.14Å
526L86.9Confident85.9Confident0 Ų053.2 Ų53.20%030%0.303CS..Hα-helixtrans-66.2-42.2177-173.462.6000111.1Y519 F523 N524 Y528 Q529 L530 V556 V563 I584Y519-L526 HydrophobicContact CE1-CB 4.36Å; F523-L526 HydrophobicContact CD2-CD2 4.36Å; F523-L526 HydrophobicContact CE2-CD2 4.22Å; F523-L526 WeakPolarHBondContact O-CA 3.33Å; F523-L526 WeakPolarHBondContact O-CB 3.37Å; F523-L526 PolarHBondContact O-N 3.24Å; N524-L526 VanDerWaalsContact C-N 3.34Å; L526-Y528 PolarHBondContact O-N 2.81Å; L526-Q529 PolarHBondContact O-N 2.98Å; L526-L530 HydrophobicContact CD1-CD1 4Å; L526-L530 HydrophobicContact CD1-CG 4.17Å; L526-L530 HydrophobicContact CD2-CD1 4.34Å; L526-L530 HydrophobicContact CG-CD1 3.7Å; L526-L530 HydrophobicContact CG-CG 4.31Å; L526-L530 WeakPolarHBondContact O-CB 3.33Å; L526-L530 VanDerWaalsContact O-CG 3.28Å; L526-L530 WeakPolarHBondContact O-CG 3.39Å; L526-L530 PolarHBondContact O-N 3.01Å; L526-V556 HydrophobicContact CD2-CG1 4.07Å; L526-V563 HydrophobicContact CD2-CG1 4.01Å; L526-I584 HydrophobicContact CD1-CB 4.41Å; L526-I584 HydrophobicContact CD1-CG1 3.55Å; L526-I584 HydrophobicContact CD2-CG1 4.11Å; L526-I584 HydrophobicContact CG-CG1 4.43Å
527Y87.9Confident85.7Confident55 Ų5550.6 Ų50.622%0.21628%0.281CS..Hα-helixtrans-52.2-53.7171.8175.2-102.7000111.9F523 Q529 L530 Q531 V537 E539 L548F523-Y527 PolarHBondContact O-N 3.38Å; Y527-Q529 VanDerWaalsContact C-N 3.33Å; Y527-Q529 PolarHBondContact O-N 3.11Å; Y527-L530 PolarHBondContact O-N 3.36Å; Y527-Q531 VanDerWaalsContact O-CB 3.3Å; Y527-Q531 WeakPolarHBondContact O-CB 3.4Å; Y527-Q531 PolarHBondContact O-N 3.23Å; Y527-V537 HydrophobicContact CD2-CB 4.37Å; Y527-V537 HydrophobicContact CD2-CG1 3.75Å; Y527-V537 HydrophobicContact CE2-CB 4.04Å; Y527-V537 HydrophobicContact CE2-CG1 3.8Å; Y527-E539 HydrophobicContact CD2-CG 3.9Å; Y527-E539 HydrophobicContact CE2-CG 3.65Å; Y527-L548 HydrophobicContact CD2-CD1 4.29Å; Y527-L548 HydrophobicContact CD2-CD2 3.59Å; Y527-L548 HydrophobicContact CE2-CD2 4.39Å; Y527-L548 HydrophobicContact CG-CD2 4.42Å
528Y84.5Confident85.5Confident85 Ų8554.5 Ų54.533%0.33330%0.299SS..Hα-helixtrans-60-40.5-179.3178.9-104.6000113.1N524 L525 L526 Q531 K532 H684N524-Y528 PolarHBondContact O-N 3.5Å; N524-Y528 VanDerWaalsContact O-N 3.13Å; L525-Y528 PolarHBondContact O-N 3.38Å; L526-Y528 PolarHBondContact O-N 2.81Å; Y528-Q531 PolarHBondContact O-N 2.76Å; Y528-K532 HydrophobicContact CE1-CD 4.14Å; Y528-K532 PolarHBondContact O-N 2.73Å; Y528-K532 VanDerWaalsContact O-N 3.1Å; Y528-K532 WeakPolarHBondContact OH-CE 3.35Å; Y528-K532 PolarHBondContact OH-NZ 3.28Å; Y528-H684 PolarHBondContact OH-O 2.98Å
529Q86.5Confident85.5Confident43 Ų4356 Ų5620%0.20130%0.298CS..Hα-helixtrans-71.8-38.3-179.7-66.8-66.9-10.700112.3L525 L526 Y527 Q531 K532 L533 V583 V587L525-Q529 HydrophobicContact CD1-CG 4.2Å; L525-Q529 VanDerWaalsContact O-CG 3.31Å; L525-Q529 WeakPolarHBondContact O-CG 3.25Å; L525-Q529 PolarHBondContact O-N 2.66Å; L525-Q529 VanDerWaalsContact O-N 3.12Å; L526-Q529 PolarHBondContact O-N 2.98Å; Y527-Q529 VanDerWaalsContact C-N 3.33Å; Y527-Q529 PolarHBondContact O-N 3.11Å; Q529-Q531 VanDerWaalsContact C-N 3.34Å; Q529-K532 WeakPolarHBondContact O-CB 3.48Å; Q529-K532 PolarHBondContact O-N 2.85Å; Q529-L533 PolarHBondContact O-N 2.82Å; Q529-V583 HydrophobicContact CB-CG1 3.98Å; Q529-V587 HydrophobicContact CB-CG2 4.03Å; Q529-V587 HydrophobicContact CG-CG2 3.75Å
530L88.7Confident85.5Confident0 Ų059 Ų590%032%0.315CS..Hα-helixtrans-69.5-34.4174-66.9169.2000111.3L526 Y527 K532 L533 T534 V537 L548 V550 V580 V583L526-L530 HydrophobicContact CD1-CD1 4Å; L526-L530 HydrophobicContact CD1-CG 4.17Å; L526-L530 HydrophobicContact CD2-CD1 4.34Å; L526-L530 HydrophobicContact CG-CD1 3.7Å; L526-L530 HydrophobicContact CG-CG 4.31Å; L526-L530 WeakPolarHBondContact O-CB 3.33Å; L526-L530 VanDerWaalsContact O-CG 3.28Å; L526-L530 WeakPolarHBondContact O-CG 3.39Å; L526-L530 PolarHBondContact O-N 3.01Å; Y527-L530 PolarHBondContact O-N 3.36Å; L530-K532 VanDerWaalsContact C-N 3.29Å; L530-K532 PolarHBondContact O-N 2.76Å; L530-L533 VanDerWaalsContact O-CB 3.31Å; L530-L533 WeakPolarHBondContact O-CB 3.24Å; L530-L533 PolarHBondContact O-N 3.41Å; L530-T534 PolarHBondContact O-N 2.88Å; L530-V537 HydrophobicContact CB-CG2 4.02Å; L530-L548 HydrophobicContact CD1-CD1 3.93Å; L530-V550 HydrophobicContact CB-CG2 4.39Å; L530-V550 HydrophobicContact CD1-CG2 3.9Å; L530-V580 HydrophobicContact CD2-CB 4.4Å; L530-V580 HydrophobicContact CD2-CG1 3.92Å; L530-V580 HydrophobicContact CD2-CG2 4.26Å; L530-V583 HydrophobicContact CD2-CB 4.12Å; L530-V583 HydrophobicContact CD2-CG1 3.92Å; L530-V583 HydrophobicContact CG-CG1 4.42Å
531Q86.9Confident85.6Confident72 Ų7261.5 Ų61.534%0.33632%0.32SS..Hα-helixtrans-64.5-34.9174.7-168.9174.426.500111.7Y527 Y528 Q529 L533 G535 V537Y527-Q531 VanDerWaalsContact O-CB 3.3Å; Y527-Q531 WeakPolarHBondContact O-CB 3.4Å; Y527-Q531 PolarHBondContact O-N 3.23Å; Y528-Q531 PolarHBondContact O-N 2.76Å; Q529-Q531 VanDerWaalsContact C-N 3.34Å; Q531-L533 VanDerWaalsContact C-N 3.25Å; Q531-L533 PolarHBondContact O-N 3.37Å; Q531-G535 VanDerWaalsContact O-CA 3.25Å; Q531-G535 WeakPolarHBondContact O-CA 3.18Å; Q531-G535 PolarHBondContact O-N 3.1Å; Q531-V537 HydrophobicContact CB-CG2 4.38Å
532K83.9Confident85.8Confident118 Ų11863.3 Ų63.351%0.51333%0.326SS..Hα-helixtrans-64.1-29.7171.3-77-170.1173.5-173.90113.8Y528 Q529 L530Y528-K532 HydrophobicContact CE1-CD 4.14Å; Y528-K532 PolarHBondContact O-N 2.73Å; Y528-K532 VanDerWaalsContact O-N 3.1Å; Y528-K532 WeakPolarHBondContact OH-CE 3.35Å; Y528-K532 PolarHBondContact OH-NZ 3.28Å; Q529-K532 WeakPolarHBondContact O-CB 3.48Å; Q529-K532 PolarHBondContact O-N 2.85Å; L530-K532 VanDerWaalsContact C-N 3.29Å; L530-K532 PolarHBondContact O-N 2.76Å
533L85.3Confident85.7Confident70 Ų7067.2 Ų67.237%0.36634%0.337SS..Hα-helixtrans-73.6-44.7-178.9-178.873.1000111.7Q529 L530 Q531 F551 T579 V583Q529-L533 PolarHBondContact O-N 2.82Å; L530-L533 VanDerWaalsContact O-CB 3.31Å; L530-L533 WeakPolarHBondContact O-CB 3.24Å; L530-L533 PolarHBondContact O-N 3.41Å; Q531-L533 VanDerWaalsContact C-N 3.25Å; Q531-L533 PolarHBondContact O-N 3.37Å; L533-F551 HydrophobicContact CD2-CE2 3.76Å; L533-F551 HydrophobicContact CD2-CZ 3.76Å; L533-F551 HydrophobicContact CG-CZ 4.08Å; L533-T579 HydrophobicContact CD1-CG2 3.77Å; L533-T579 HydrophobicContact CD2-CG2 3.59Å; L533-T579 HydrophobicContact CG-CG2 4.25Å; L533-V583 HydrophobicContact CD2-CG2 4.2Å
534T81.4Confident85.7Confident37 Ų3774.9 Ų74.923%0.22737%0.373CS..Hα-helixtrans-121-15.3-166.882.50000114.3L530 D536 V550 F551L530-T534 PolarHBondContact O-N 2.88Å; T534-D536 PolarHBondContact O-N 3.31Å; T534-D536 PolarHBondContact OG1-N 3.43Å; T534-D536 VanDerWaalsContact OG1-N 3.16Å; T534-D536 PolarHBondContact OG1-O 3.26Å; T534-V550 HydrophobicContact CG2-CG1 3.67Å; T534-F551 HydrophobicContact CG2-CD1 3.69Å; T534-F551 HydrophobicContact CG2-CD2 4Å; T534-F551 HydrophobicContact CG2-CE1 3.28Å; T534-F551 HydrophobicContact CG2-CE2 3.61Å; T534-F551 HydrophobicContact CG2-CG 4.05Å; T534-F551 HydrophobicContact CG2-CZ 3.24Å
535G72.9Confident85.9Confident58 Ų5872.2 Ų72.260%0.59836%0.356SS*.SBendtrans69.7-23.6-170.500000115Q531Q531-G535 VanDerWaalsContact O-CA 3.25Å; Q531-G535 WeakPolarHBondContact O-CA 3.18Å; Q531-G535 PolarHBondContact O-N 3.1Å
536D78.1Confident86.2Confident74 Ų7474.6 Ų74.640%0.39637%0.372SS..  trans-123.189.7-172.2-166.314.1000109.4T534 K552T534-D536 PolarHBondContact O-N 3.31Å; T534-D536 PolarHBondContact OG1-N 3.43Å; T534-D536 VanDerWaalsContact OG1-N 3.16Å; T534-D536 PolarHBondContact OG1-O 3.26Å; D536-K552 WeakPolarHBondContact OD2-CE 3.31Å; D536-K552 IonicContact OD2-NZ 2.58Å; D536-K552 PolarHBondContact OD2-NZ 3.06Å
537V89.3Confident86.5Confident10 Ų1074.7 Ų74.76%0.06137%0.373CS..EExtended strand (participates in β ladder)trans-124.8119175.1179.60000108.3Y527 L530 Q531 L548 K549 V550Y527-V537 HydrophobicContact CD2-CB 4.37Å; Y527-V537 HydrophobicContact CD2-CG1 3.75Å; Y527-V537 HydrophobicContact CE2-CB 4.04Å; Y527-V537 HydrophobicContact CE2-CG1 3.8Å; L530-V537 HydrophobicContact CB-CG2 4.02Å; Q531-V537 HydrophobicContact CB-CG2 4.38Å; V537-L548 HydrophobicContact CG1-CB 4.05Å; V537-L548 HydrophobicContact CG1-CD1 4.39Å; V537-L548 HydrophobicContact CG1-CD2 4.28Å; V537-L548 HydrophobicContact CG1-CG 4.46Å; V537-K549 WeakPolarHBondContact CA-O 3.45Å; V537-V550 HydrophobicContact CG1-CG2 4.33Å; V537-V550 HydrophobicContact CG2-CG1 4.34Å; V537-V550 HydrophobicContact CG2-CG2 4.5Å
538E90.5Very high86.8Confident89 Ų8972.1 Ų72.142%0.41636%0.363SS..EExtended strand (participates in β ladder)trans-95.8131.5-179.5-57.1172.9175.600109.8L548 K549E538-L548 CarbonylContact O-C 3.59Å; E538-L548 WeakPolarHBondContact O-CA 3.26Å; E538-K549 HydrophobicContact CB-CB 4.01Å; E538-K549 PolarHBondContact N-O 2.96Å; E538-K549 PolarHBondContact O-N 3.31Å
539E90.4Very high87.2Confident122 Ų12270.5 Ų70.557%0.5736%0.358SS*.EExtended strand (participates in β ladder)trans-80.9133.8170.3-64.6-173.9140.700109.7Y527 L548Y527-E539 HydrophobicContact CD2-CG 3.9Å; Y527-E539 HydrophobicContact CE2-CG 3.65Å; E539-L548 HydrophobicContact CB-CD2 4.43Å; E539-L548 HydrophobicContact CG-CD2 3.82Å
540L91.1Very high87.5Confident71 Ų7168.4 Ų68.437%0.37235%0.348SS..EExtended strand (participates in β ladder)trans-135.1165.1-178.2-62.7175.4000109.8A547 K549L540-A547 HydrophobicContact CB-CB 4.21Å; L540-A547 PolarHBondContact N-O 3.28Å; L540-A547 PolarHBondContact O-N 3.46Å; L540-K549 HydrophobicContact CD1-CB 3.74Å; L540-K549 HydrophobicContact CD1-CD 3.94Å; L540-K549 HydrophobicContact CD1-CG 4.32Å; L540-K549 HydrophobicContact CG-CB 4.44Å
541E89Confident87.6Confident146 Ų14671 Ų7168%0.68236%0.359SS*.EExtended strand (participates in β ladder)trans-124.3121.7169.3-166.3174.9-179.400108.7E544 K545E541-E544 WeakPolarHBondContact OE1-CA 3.22Å; E541-K545 WeakPolarHBondContact CA-O 3.37Å
542I85.9Confident87.8Confident49 Ų4973.7 Ų73.725%0.25137%0.37SS..EExtended strand (participates in β ladder)trans-123.7118.1-178.4-62.8177.5000107.8E544 K545 A547 T555 I557I542-E544 VanDerWaalsContact C-N 3.3Å; I542-E544 PolarHBondContact O-N 2.98Å; I542-K545 PolarHBondContact N-O 2.99Å; I542-K545 WeakPolarHBondContact O-CB 3.41Å; I542-K545 PolarHBondContact O-N 3.33Å; I542-A547 HydrophobicContact CB-CB 4.23Å; I542-A547 HydrophobicContact CD1-CB 3.84Å; I542-A547 HydrophobicContact CG1-CB 3.89Å; I542-T555 HydrophobicContact CD1-CG2 3.3Å; I542-I557 HydrophobicContact CD1-CD1 4.31Å; I542-I557 HydrophobicContact CD1-CG1 4.31Å; I542-I557 HydrophobicContact CG2-CD1 4.17Å
543Q84.4Confident88.1Confident164 Ų16471.4 Ų71.477%0.76636%0.363SS*.THydrogen-bonded Turntrans53.544.4-177.4-57.61782.800113K545Q543-K545 PolarHBondContact O-N 3.14Å
544E86.6Confident88.6Confident178 Ų17868.1 Ų68.183%0.83235%0.346SS*.THydrogen-bonded Turntrans62.518.6-177.3-53.2179.5172.600114.1E541 I542E541-E544 WeakPolarHBondContact OE1-CA 3.22Å; I542-E544 VanDerWaalsContact C-N 3.3Å; I542-E544 PolarHBondContact O-N 2.98Å
545K88.9Confident89.2Confident63 Ų6367 Ų6727%0.27434%0.339SS..EExtended strand (participates in β ladder)trans-112.9138.9176.2-58.2-179.1-168-176.90110.6E541 I542 Q543 A547 I557 E559E541-K545 WeakPolarHBondContact CA-O 3.37Å; I542-K545 PolarHBondContact N-O 2.99Å; I542-K545 WeakPolarHBondContact O-CB 3.41Å; I542-K545 PolarHBondContact O-N 3.33Å; Q543-K545 PolarHBondContact O-N 3.14Å; K545-A547 PolarHBondContact O-N 3.15Å; K545-I557 HydrophobicContact CB-CG2 4.08Å; K545-I557 HydrophobicContact CD-CG2 4.36Å; K545-E559 WeakPolarHBondContact CD-OE1 3.42Å; K545-E559 IonicContact NZ-OE1 3.77Å; K545-E559 PolarHBondContact NZ-OE1 3.25Å; K545-E559 IonicContact NZ-OE2 3.43Å; K545-E559 PolarHBondContact NZ-OE2 3.3Å
546P90.9Very high90.3Very high63 Ų6364.2 Ų64.241%0.40931%0.311SS..EExtended strand (participates in β ladder)trans-57.3131.3171.3-23.634000111.1F523 Q558F523-P546 HydrophobicContact CD1-CB 3.73Å; F523-P546 HydrophobicContact CE1-CB 3.64Å; F523-P546 HydrophobicContact CZ-CB 4.49Å; P546-Q558 HydrophobicContact CB-CB 4.3Å; P546-Q558 WeakPolarHBondContact O-CB 3.45Å; P546-Q558 PolarHBondContact O-N 3.15Å
547A94Very high91.1Very high2 Ų261.2 Ų61.22%0.01730%0.295CS..EExtended strand (participates in β ladder)trans-137.7156.1179.300000111.2L540 I542 K545 V556 I557L540-A547 HydrophobicContact CB-CB 4.21Å; L540-A547 PolarHBondContact N-O 3.28Å; L540-A547 PolarHBondContact O-N 3.46Å; I542-A547 HydrophobicContact CB-CB 4.23Å; I542-A547 HydrophobicContact CD1-CB 3.84Å; I542-A547 HydrophobicContact CG1-CB 3.89Å; K545-A547 PolarHBondContact O-N 3.15Å; A547-V556 CarbonylContact C-O 3.17Å; A547-V556 WeakPolarHBondContact CA-O 3.32Å; A547-I557 HydrophobicContact CB-CG1 4.22Å
548L93.3Very high91.2Very high1 Ų163.9 Ų63.91%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-124.1136.2175.9-58.3177.3000110F523 Y527 L530 V537 E538 E539 V550 T555 V556F523-L548 HydrophobicContact CE1-CD1 4.21Å; F523-L548 HydrophobicContact CE1-CD2 4.02Å; F523-L548 HydrophobicContact CE1-CG 3.71Å; F523-L548 HydrophobicContact CE2-CD1 4.47Å; F523-L548 HydrophobicContact CZ-CD1 4.02Å; F523-L548 HydrophobicContact CZ-CD2 4.43Å; F523-L548 HydrophobicContact CZ-CG 3.63Å; Y527-L548 HydrophobicContact CD2-CD1 4.29Å; Y527-L548 HydrophobicContact CD2-CD2 3.59Å; Y527-L548 HydrophobicContact CE2-CD2 4.39Å; Y527-L548 HydrophobicContact CG-CD2 4.42Å; L530-L548 HydrophobicContact CD1-CD1 3.93Å; V537-L548 HydrophobicContact CG1-CB 4.05Å; V537-L548 HydrophobicContact CG1-CD1 4.39Å; V537-L548 HydrophobicContact CG1-CD2 4.28Å; V537-L548 HydrophobicContact CG1-CG 4.46Å; E538-L548 CarbonylContact O-C 3.59Å; E538-L548 WeakPolarHBondContact O-CA 3.26Å; E539-L548 HydrophobicContact CB-CD2 4.43Å; E539-L548 HydrophobicContact CG-CD2 3.82Å; L548-V550 HydrophobicContact CB-CG2 4.48Å; L548-T555 CarbonylContact O-C 3.6Å; L548-T555 WeakPolarHBondContact O-CA 3.44Å; L548-V556 HydrophobicContact CB-CB 4.35Å; L548-V556 PolarHBondContact N-O 2.77Å; L548-V556 PolarHBondContact O-N 2.92Å
549K93.7Very high91.3Very high50 Ų5062.1 Ų62.122%0.21730%0.298CS..EExtended strand (participates in β ladder)trans-96.9118.1166.8-155.378.8-177.4177.60109.1V537 E538 L540 K552 I554 T555V537-K549 WeakPolarHBondContact CA-O 3.45Å; E538-K549 HydrophobicContact CB-CB 4.01Å; E538-K549 PolarHBondContact N-O 2.96Å; E538-K549 PolarHBondContact O-N 3.31Å; L540-K549 HydrophobicContact CD1-CB 3.74Å; L540-K549 HydrophobicContact CD1-CD 3.94Å; L540-K549 HydrophobicContact CD1-CG 4.32Å; L540-K549 HydrophobicContact CG-CB 4.44Å; K549-K552 VanDerWaalsContact CE-C 3.49Å; K549-K552 WeakPolarHBondContact CE-O 3.43Å; K549-I554 CarbonylContact C-O 3.42Å; K549-I554 WeakPolarHBondContact CA-O 3.27Å; K549-T555 PolarHBondContact NZ-OG1 2.83Å
550V92.6Very high91.1Very high0 Ų062.1 Ų62.10%031%0.309CS..EExtended strand (participates in β ladder)trans-114.7136.9179.2-166.10000109.1L530 T534 V537 L548 K552 N553 I554 V556 V580L530-V550 HydrophobicContact CB-CG2 4.39Å; L530-V550 HydrophobicContact CD1-CG2 3.9Å; T534-V550 HydrophobicContact CG2-CG1 3.67Å; V537-V550 HydrophobicContact CG1-CG2 4.33Å; V537-V550 HydrophobicContact CG2-CG1 4.34Å; V537-V550 HydrophobicContact CG2-CG2 4.5Å; L548-V550 HydrophobicContact CB-CG2 4.48Å; V550-K552 PolarHBondContact O-N 3.24Å; V550-N553 PolarHBondContact O-N 3.23Å; V550-I554 HydrophobicContact CB-CB 4.48Å; V550-I554 PolarHBondContact N-O 3.35Å; V550-I554 PolarHBondContact O-N 2.98Å; V550-V556 HydrophobicContact CG2-CG2 4.07Å; V550-V580 HydrophobicContact CB-CG2 4.06Å; V550-V580 HydrophobicContact CG1-CG2 3.78Å; V550-V580 HydrophobicContact CG2-CG2 4.48Å
551F91.4Very high90.9Very high54 Ų5461 Ų6124%0.23731%0.314CS..THydrogen-bonded Turntrans53.323.5-174.8-59.9-72.4000113.9L533 T534 N553 Y576 V580L533-F551 HydrophobicContact CD2-CE2 3.76Å; L533-F551 HydrophobicContact CD2-CZ 3.76Å; L533-F551 HydrophobicContact CG-CZ 4.08Å; T534-F551 HydrophobicContact CG2-CD1 3.69Å; T534-F551 HydrophobicContact CG2-CD2 4Å; T534-F551 HydrophobicContact CG2-CE1 3.28Å; T534-F551 HydrophobicContact CG2-CE2 3.61Å; T534-F551 HydrophobicContact CG2-CG 4.05Å; T534-F551 HydrophobicContact CG2-CZ 3.24Å; F551-N553 PolarHBondContact O-N 3.33Å; F551-N553 PolarHBondContact O-ND2 3.48Å; F551-Y576 HydrophobicContact CB-CD2 3.99Å; F551-Y576 HydrophobicContact CB-CE2 4.4Å; F551-Y576 HydrophobicContact CB-CG 4.07Å; F551-Y576 HydrophobicContact CD1-CD1 4.15Å; F551-Y576 HydrophobicContact CD1-CE1 4.26Å; F551-Y576 AromaticContact CD2-CD1 4Å; F551-Y576 HydrophobicContact CD2-CD1 4Å; F551-Y576 AromaticContact CD2-CG 3.88Å; F551-Y576 HydrophobicContact CD2-CG 3.88Å; F551-Y576 HydrophobicContact CE1-CD1 4.28Å; F551-Y576 HydrophobicContact CE1-CE1 4.44Å; F551-Y576 HydrophobicContact CE2-CD1 4.14Å; F551-Y576 HydrophobicContact CE2-CG 4.4Å; F551-Y576 AromaticContact CG-CD1 3.99Å; F551-Y576 HydrophobicContact CG-CD1 3.99Å; F551-Y576 HydrophobicContact CG-CD2 4.34Å; F551-Y576 HydrophobicContact CG-CE1 4.46Å; F551-Y576 AromaticContact CG-CG 3.94Å; F551-Y576 HydrophobicContact CG-CG 3.94Å; F551-Y576 HydrophobicContact CZ-CD1 4.26Å; F551-V580 HydrophobicContact CD2-CG2 4.27Å; F551-V580 HydrophobicContact CE2-CG2 4.16Å
552K90.1Very high91.2Very high128 Ų12856.9 Ų56.956%0.55730%0.295SS*.THydrogen-bonded Turntrans59.7-3.6-174.1-56.8-179-179.9176.50115.8D536 K549 V550D536-K552 WeakPolarHBondContact OD2-CE 3.31Å; D536-K552 IonicContact OD2-NZ 2.58Å; D536-K552 PolarHBondContact OD2-NZ 3.06Å; K549-K552 VanDerWaalsContact CE-C 3.49Å; K549-K552 WeakPolarHBondContact CE-O 3.43Å; V550-K552 PolarHBondContact O-N 3.24Å
553N91.4Very high91.6Very high71 Ų7154.5 Ų54.538%0.3828%0.283SS..THydrogen-bonded Turntrans-122.5-28.1-169.6-70.3-54.2000113.3V550 F551 N573V550-N553 PolarHBondContact O-N 3.23Å; F551-N553 PolarHBondContact O-N 3.33Å; F551-N553 PolarHBondContact O-ND2 3.48Å; N553-N573 VanDerWaalsContact CB-OD1 3.3Å; N553-N573 WeakPolarHBondContact CB-OD1 3.41Å
554I94.3Very high92.1Very high0 Ų047.6 Ų47.60%025%0.252CS..EExtended strand (participates in β ladder)trans-100.9126.2-178.6-46.2-53.7000109K549 V550 L565 W567 N573 A577 V580K549-I554 CarbonylContact C-O 3.42Å; K549-I554 WeakPolarHBondContact CA-O 3.27Å; V550-I554 HydrophobicContact CB-CB 4.48Å; V550-I554 PolarHBondContact N-O 3.35Å; V550-I554 PolarHBondContact O-N 2.98Å; I554-L565 HydrophobicContact CG2-CD2 4.41Å; I554-W567 HydrophobicContact CD1-CB 3.43Å; I554-W567 VanDerWaalsContact CD1-CB 3.43Å; I554-W567 HydrophobicContact CD1-CG 3.85Å; I554-N573 HydrophobicContact CD1-CB 4.25Å; I554-N573 WeakPolarHBondContact CD1-O 3.34Å; I554-A577 HydrophobicContact CD1-CB 4.07Å; I554-V580 HydrophobicContact CG2-CG1 4.49Å; I554-V580 HydrophobicContact CG2-CG2 4.43Å
555T95.4Very high92.6Very high13 Ų1339.1 Ų39.18%0.0821%0.212CC..EExtended strand (participates in β ladder)trans-103.8125.4175.7-54.40000108.8I542 L548 K549 I557 L565 E566I542-T555 HydrophobicContact CD1-CG2 3.3Å; L548-T555 CarbonylContact O-C 3.6Å; L548-T555 WeakPolarHBondContact O-CA 3.44Å; K549-T555 PolarHBondContact NZ-OG1 2.83Å; T555-I557 HydrophobicContact CG2-CD1 4.3Å; T555-I557 HydrophobicContact CG2-CG1 3.88Å; T555-L565 CarbonylContact O-C 3.37Å; T555-L565 VanDerWaalsContact O-CA 3.28Å; T555-L565 WeakPolarHBondContact O-CA 3.38Å; T555-E566 PolarHBondContact N-O 3.31Å; T555-E566 PolarHBondContact O-N 3.36Å
556V94.7Very high92.9Very high0 Ų038.1 Ų38.10%021%0.209CC..EExtended strand (participates in β ladder)trans-112.3113.8176.5-1720000108.7L526 A547 L548 V550 V563 V564 L565 V580 I584L526-V556 HydrophobicContact CD2-CG1 4.07Å; A547-V556 CarbonylContact C-O 3.17Å; A547-V556 WeakPolarHBondContact CA-O 3.32Å; L548-V556 HydrophobicContact CB-CB 4.35Å; L548-V556 PolarHBondContact N-O 2.77Å; L548-V556 PolarHBondContact O-N 2.92Å; V550-V556 HydrophobicContact CG2-CG2 4.07Å; V556-V563 HydrophobicContact CG1-CB 4.01Å; V556-V563 HydrophobicContact CG1-CG1 4.41Å; V556-V563 HydrophobicContact CG1-CG2 4.43Å; V556-V564 CarbonylContact C-O 3.59Å; V556-V564 WeakPolarHBondContact CA-O 3.41Å; V556-L565 HydrophobicContact CG2-CG 4.33Å; V556-V580 HydrophobicContact CG2-CG1 3.72Å; V556-I584 HydrophobicContact CG1-CD1 4.26Å
557I94.9Very high93.1Very high12 Ų1236 Ų366%0.06219%0.193CC..EExtended strand (participates in β ladder)trans-106.5132.4-174.9-52.7173.3000109.2I542 K545 A547 T555 V563 V564 E566I542-I557 HydrophobicContact CD1-CD1 4.31Å; I542-I557 HydrophobicContact CD1-CG1 4.31Å; I542-I557 HydrophobicContact CG2-CD1 4.17Å; K545-I557 HydrophobicContact CB-CG2 4.08Å; K545-I557 HydrophobicContact CD-CG2 4.36Å; A547-I557 HydrophobicContact CB-CG1 4.22Å; T555-I557 HydrophobicContact CG2-CD1 4.3Å; T555-I557 HydrophobicContact CG2-CG1 3.88Å; I557-V563 CarbonylContact O-C 3.6Å; I557-V563 WeakPolarHBondContact O-CA 3.31Å; I557-V564 HydrophobicContact CB-CB 4.41Å; I557-V564 PolarHBondContact N-O 2.91Å; I557-V564 PolarHBondContact O-N 3.11Å; I557-E566 HydrophobicContact CD1-CG 4.28Å
558Q91.9Very high93.1Very high65 Ų6540.1 Ų40.130%0.30421%0.214SC..EExtended strand (participates in β ladder)trans-77.1128.5175.3-167.4178.94.800111.3F523 P546F523-Q558 HydrophobicContact CB-CG 4.47Å; F523-Q558 VanDerWaalsContact CB-OE1 3.32Å; F523-Q558 HydrophobicContact CD1-CB 4.47Å; F523-Q558 HydrophobicContact CD2-CB 3.72Å; F523-Q558 HydrophobicContact CD2-CG 3.85Å; F523-Q558 HydrophobicContact CE1-CB 4.41Å; F523-Q558 HydrophobicContact CE2-CB 3.66Å; F523-Q558 HydrophobicContact CE2-CG 4.28Å; F523-Q558 HydrophobicContact CG-CB 4.14Å; F523-Q558 HydrophobicContact CG-CG 4.2Å; F523-Q558 HydrophobicContact CZ-CB 4.01Å; P546-Q558 HydrophobicContact CB-CB 4.3Å; P546-Q558 WeakPolarHBondContact O-CB 3.45Å; P546-Q558 PolarHBondContact O-N 3.15Å
559E91.7Very high93Very high52 Ų5241.4 Ų41.424%0.24323%0.225CC..EExtended strand (participates in β ladder)trans-128.9160.7173.4-70.8-70.2-179.500110.6K545 G561 M562 V564K545-E559 WeakPolarHBondContact CD-OE1 3.42Å; K545-E559 IonicContact NZ-OE1 3.77Å; K545-E559 PolarHBondContact NZ-OE1 3.25Å; K545-E559 IonicContact NZ-OE2 3.43Å; K545-E559 PolarHBondContact NZ-OE2 3.3Å; E559-G561 PolarHBondContact O-N 3.26Å; E559-M562 CarbonylContact C-O 3.53Å; E559-M562 WeakPolarHBondContact CA-O 3.34Å; E559-M562 HydrophobicContact CB-CG 3.76Å; E559-M562 PolarHBondContact N-O 3.09Å; E559-M562 PolarHBondContact O-N 3.22Å; E559-V564 HydrophobicContact CG-CG2 3.77Å
560P87.6Confident92.8Very high123 Ų12341.8 Ų41.880%0.79923%0.229SC*.THydrogen-bonded Turntrans-59109.7175.9-24.935.3000112.2M562P560-M562 VanDerWaalsContact C-N 3.31Å; P560-M562 PolarHBondContact O-N 2.73Å
561G87.2Confident92.7Very high46 Ų4647.4 Ų47.447%0.47427%0.266SS..THydrogen-bonded Turntrans795.2177.300000115.7Y519 E559Y519-G561 PolarHBondContact N-O 3.32Å; Y519-G561 VanDerWaalsContact N-O 3.09Å; Y519-G561 CarbonylContact O-C 3.59Å; E559-G561 PolarHBondContact O-N 3.26Å
562M93.9Very high92.7Very high60 Ų6047.9 Ų47.930%0.29628%0.276SS..EExtended strand (participates in β ladder)trans-155.4168.2179.855.6-177-95.800112.5A516 I517 Y519 E559 P560 V564A516-M562 HydrophobicContact CB-CE 3.29Å; A516-M562 HydrophobicContact CB-SD 4.36Å; I517-M562 CarbonylContact O-C 3.02Å; I517-M562 VanDerWaalsContact O-CA 3.29Å; I517-M562 WeakPolarHBondContact O-CA 3.42Å; I517-M562 VanDerWaalsContact O-CB 3.29Å; I517-M562 WeakPolarHBondContact O-CB 3.42Å; Y519-M562 PolarHBondContact O-N 3.08Å; E559-M562 CarbonylContact C-O 3.53Å; E559-M562 WeakPolarHBondContact CA-O 3.34Å; E559-M562 HydrophobicContact CB-CG 3.76Å; E559-M562 PolarHBondContact N-O 3.09Å; E559-M562 PolarHBondContact O-N 3.22Å; P560-M562 VanDerWaalsContact C-N 3.31Å; P560-M562 PolarHBondContact O-N 2.73Å; M562-V564 HydrophobicContact CE-CG2 3.36Å
563V94.4Very high92.9Very high0 Ų042.4 Ų42.40%025%0.253CS..EExtended strand (participates in β ladder)trans-120.5142165.6-690000109I517 Y519 F523 L526 V556 I557 L565 I584I517-V563 HydrophobicContact CB-CG2 4.16Å; I517-V563 PolarHBondContact N-O 2.74Å; I517-V563 PolarHBondContact O-N 2.79Å; Y519-V563 HydrophobicContact CD1-CG1 3.88Å; Y519-V563 HydrophobicContact CG-CG1 4.19Å; F523-V563 HydrophobicContact CE2-CG1 4.3Å; L526-V563 HydrophobicContact CD2-CG1 4.01Å; V556-V563 HydrophobicContact CG1-CB 4.01Å; V556-V563 HydrophobicContact CG1-CG1 4.41Å; V556-V563 HydrophobicContact CG1-CG2 4.43Å; I557-V563 CarbonylContact O-C 3.6Å; I557-V563 WeakPolarHBondContact O-CA 3.31Å; V563-L565 HydrophobicContact CG2-CD1 4.28Å; V563-I584 HydrophobicContact CG2-CD1 3.88Å; V563-I584 HydrophobicContact CG2-CG1 4.36Å; V563-I584 HydrophobicContact CG2-CG2 3.66Å
564V95.6Very high93Very high18 Ų1841.2 Ų41.211%0.10925%0.247CC..EExtended strand (participates in β ladder)trans-108.3118.3178.6178.70000108.4T514 Q515 V556 I557 E559 M562 E566T514-V564 HydrophobicContact CG2-CG1 3.41Å; T514-V564 VanDerWaalsContact CG2-CG1 3.41Å; Q515-V564 WeakPolarHBondContact O-CA 3.48Å; V556-V564 CarbonylContact C-O 3.59Å; V556-V564 WeakPolarHBondContact CA-O 3.41Å; I557-V564 HydrophobicContact CB-CB 4.41Å; I557-V564 PolarHBondContact N-O 2.91Å; I557-V564 PolarHBondContact O-N 3.11Å; E559-V564 HydrophobicContact CG-CG2 3.77Å; M562-V564 HydrophobicContact CE-CG2 3.36Å; V564-E566 HydrophobicContact CG1-CG 4.07Å
565L95.7Very high92.9Very high0 Ų046.4 Ų46.40%027%0.272CS..EExtended strand (participates in β ladder)trans-89.6134.4171.2-72.470.7000108.6T514 Q515 I517 I554 T555 V556 V563 W567 V580 T581 I584T514-L565 CarbonylContact C-O 3.54Å; T514-L565 VanDerWaalsContact CA-O 3.23Å; T514-L565 WeakPolarHBondContact CA-O 3.37Å; Q515-L565 HydrophobicContact CB-CB 4.48Å; Q515-L565 PolarHBondContact N-O 3Å; Q515-L565 PolarHBondContact O-N 3.32Å; I517-L565 HydrophobicContact CD1-CD1 3.52Å; I517-L565 HydrophobicContact CD1-CD2 4.28Å; I517-L565 HydrophobicContact CG1-CD1 4.01Å; I554-L565 HydrophobicContact CG2-CD2 4.41Å; T555-L565 CarbonylContact O-C 3.37Å; T555-L565 VanDerWaalsContact O-CA 3.28Å; T555-L565 WeakPolarHBondContact O-CA 3.38Å; V556-L565 HydrophobicContact CG2-CG 4.33Å; V563-L565 HydrophobicContact CG2-CD1 4.28Å; L565-W567 HydrophobicContact CB-CE3 4.1Å; L565-W567 HydrophobicContact CB-CZ3 3.82Å; L565-V580 HydrophobicContact CD2-CB 4.19Å; L565-V580 HydrophobicContact CD2-CG1 3.79Å; L565-V580 HydrophobicContact CG-CG1 4.4Å; L565-T581 VanDerWaalsContact CD2-OG1 3.31Å; L565-T581 WeakPolarHBondContact CD2-OG1 3.42Å; L565-I584 HydrophobicContact CD1-CD1 3.59Å; L565-I584 HydrophobicContact CD2-CD1 4.25Å; L565-I584 HydrophobicContact CG-CD1 4.24Å
566E95.9Very high92.9Very high43 Ų4349.1 Ų49.120%0.20128%0.281CS..EExtended strand (participates in β ladder)trans-130.4130.9173-60.4-162.4127.300110.4K512 Q513 T514 T555 I557 V564K512-E566 VanDerWaalsContact CE-CD 3.5Å; K512-E566 WeakPolarHBondContact CE-OE2 3.5Å; K512-E566 IonicContact NZ-OE1 3.31Å; K512-E566 PolarHBondContact NZ-OE1 3.04Å; K512-E566 IonicContact NZ-OE2 3.54Å; K512-E566 PolarHBondContact NZ-OE2 2.84Å; Q513-E566 WeakPolarHBondContact O-CA 3.4Å; T514-E566 HydrophobicContact CG2-CG 4.12Å; T555-E566 PolarHBondContact N-O 3.31Å; T555-E566 PolarHBondContact O-N 3.36Å; I557-E566 HydrophobicContact CD1-CG 4.28Å; V564-E566 HydrophobicContact CG1-CG 4.07Å
567W95.6Very high92.9Very high17 Ų1749.1 Ų49.16%0.06428%0.281CS..EExtended strand (participates in β ladder)trans-151.5162.117569.3102.9000111.9K512 Q513 Q515 I554 L565 D574 A577K512-W567 CarbonylContact C-O 3.58Å; K512-W567 WeakPolarHBondContact CA-O 3.26Å; Q513-W567 HydrophobicContact CB-CD2 4.06Å; Q513-W567 HydrophobicContact CB-CE3 4.38Å; Q513-W567 HydrophobicContact CB-CH2 4.07Å; Q513-W567 HydrophobicContact CB-CZ2 3.72Å; Q513-W567 HydrophobicContact CB-CZ3 4.38Å; Q513-W567 PolarHBondContact N-O 3.43Å; Q513-W567 PolarHBondContact O-N 3.24Å; Q515-W567 HydrophobicContact CB-CH2 4Å; Q515-W567 HydrophobicContact CB-CZ3 3.9Å; I554-W567 HydrophobicContact CD1-CB 3.43Å; I554-W567 VanDerWaalsContact CD1-CB 3.43Å; I554-W567 HydrophobicContact CD1-CG 3.85Å; L565-W567 HydrophobicContact CB-CE3 4.1Å; L565-W567 HydrophobicContact CB-CZ3 3.82Å; W567-D574 PolarHBondContact NE1-OD1 3.31Å; W567-A577 HydrophobicContact CD2-CB 3.62Å; W567-A577 VanDerWaalsContact CE2-CB 3.46Å; W567-A577 HydrophobicContact CE3-CB 3.89Å; W567-A577 HydrophobicContact CG-CB 4.2Å; W567-A577 HydrophobicContact CH2-CB 3.88Å; W567-A577 HydrophobicContact CZ2-CB 3.59Å; W567-A577 HydrophobicContact CZ3-CB 4.03Å
568L94.6Very high92.8Very high89 Ų8953.3 Ų53.347%0.46630%0.304SS..EExtended strand (participates in β ladder)trans-83.7122167.8-60.5-179.8000108.5T510 K512 N570 N573T510-L568 HydrophobicContact CG2-CB 4.41Å; T510-L568 HydrophobicContact CG2-CD1 4.34Å; T510-L568 HydrophobicContact CG2-CD2 3.85Å; T510-L568 HydrophobicContact CG2-CG 4.42Å; K512-L568 HydrophobicContact CB-CD2 4.18Å; K512-L568 HydrophobicContact CG-CD2 4.37Å; L568-N570 PolarHBondContact O-N 3.12Å; L568-N570 PolarHBondContact O-ND2 2.84Å; L568-N573 VanDerWaalsContact O-CB 3.29Å; L568-N573 WeakPolarHBondContact O-CB 3.25Å; L568-N573 PolarHBondContact O-ND2 3.38Å
569A90.7Very high92.9Very high29 Ų2952.5 Ų52.524%0.2430%0.304CS..  trans-67.4124.7-174.800000111.3V511 Q513 D574V511-A569 HydrophobicContact CB-CB 4.15Å; V511-A569 HydrophobicContact CG1-CB 4.24Å; V511-A569 WeakPolarHBondContact O-CB 3.15Å; V511-A569 PolarHBondContact O-N 3.22Å; Q513-A569 HydrophobicContact CG-CB 3.96Å; A569-D574 WeakPolarHBondContact CA-OD1 3.44Å
570N90Very high93Very high57 Ų5750 Ų5031%0.30529%0.292SS..SBendtrans-167.8161.2169.761.169.8000108.3L568 S572 N573 D574L568-N570 PolarHBondContact O-N 3.12Å; L568-N570 PolarHBondContact O-ND2 2.84Å; N570-S572 PolarHBondContact O-N 3.45Å; N570-S572 PolarHBondContact OD1-N 2.9Å; N570-N573 VanDerWaalsContact ND2-CG 3.3Å; N570-N573 PolarHBondContact ND2-ND2 2.96Å; N570-N573 PolarHBondContact O-N 3.33Å; N570-N573 VanDerWaalsContact O-N 3.07Å; N570-N573 WeakPolarHBondContact OD1-CB 3.46Å; N570-N573 PolarHBondContact OD1-N 3.49Å; N570-D574 PolarHBondContact N-OD1 3.2Å; N570-D574 WeakPolarHBondContact O-CB 3.33Å; N570-D574 PolarHBondContact O-N 3.07Å
571P88.9Confident93.3Very high118 Ų11844.8 Ų44.877%0.76626%0.258SS*.Hα-helixtrans-53.6-36.6-172.3-29.335.8000115M575P571-M575 PolarHBondContact O-N 3.24Å
572S91.7Very high93.6Very high65 Ų6546.7 Ų46.746%0.45526%0.26SS..Hα-helixtrans-73.3-48.2178.7-55.70000111.8N570 D574 M575 Y576N570-S572 PolarHBondContact O-N 3.45Å; N570-S572 PolarHBondContact OD1-N 2.9Å; S572-D574 VanDerWaalsContact C-N 3.35Å; S572-M575 PolarHBondContact O-N 3.41Å; S572-Y576 VanDerWaalsContact O-CD2 3.25Å; S572-Y576 WeakPolarHBondContact O-CD2 3.49Å; S572-Y576 VanDerWaalsContact O-CG 3.26Å; S572-Y576 PolarHBondContact O-N 2.88Å
573N93.8Very high93.5Very high12 Ų1244.7 Ų44.76%0.06425%0.251CS..Hα-helixtrans-69.4-33.2-179.1-71.2-4.6000112.3N553 I554 L568 N570 M575 Y576 A577N553-N573 VanDerWaalsContact CB-OD1 3.3Å; N553-N573 WeakPolarHBondContact CB-OD1 3.41Å; I554-N573 HydrophobicContact CD1-CB 4.25Å; I554-N573 WeakPolarHBondContact CD1-O 3.34Å; L568-N573 VanDerWaalsContact O-CB 3.29Å; L568-N573 WeakPolarHBondContact O-CB 3.25Å; L568-N573 PolarHBondContact O-ND2 3.38Å; N570-N573 VanDerWaalsContact ND2-CG 3.3Å; N570-N573 PolarHBondContact ND2-ND2 2.96Å; N570-N573 PolarHBondContact O-N 3.33Å; N570-N573 VanDerWaalsContact O-N 3.07Å; N570-N573 WeakPolarHBondContact OD1-CB 3.46Å; N570-N573 PolarHBondContact OD1-N 3.49Å; N573-M575 VanDerWaalsContact C-N 3.35Å; N573-Y576 PolarHBondContact O-N 3.32Å; N573-A577 WeakPolarHBondContact O-CB 3.34Å; N573-A577 PolarHBondContact O-N 3.12Å
574D93.4Very high93.4Very high47 Ų4744.7 Ų44.725%0.25125%0.251SS..Hα-helixtrans-65-42.6176.5-62.1-16.6000109.9W567 A569 N570 S572 Y576 A577 D578W567-D574 PolarHBondContact NE1-OD1 3.31Å; A569-D574 WeakPolarHBondContact CA-OD1 3.44Å; N570-D574 PolarHBondContact N-OD1 3.2Å; N570-D574 WeakPolarHBondContact O-CB 3.33Å; N570-D574 PolarHBondContact O-N 3.07Å; S572-D574 VanDerWaalsContact C-N 3.35Å; D574-Y576 PolarHBondContact O-N 3.02Å; D574-A577 PolarHBondContact O-N 3.19Å; D574-D578 PolarHBondContact O-N 3.37Å
575M93.8Very high93.1Very high108 Ų10848 Ų4853%0.53227%0.268SS..Hα-helixtrans-63.2-40.5173-175.3-172.969.300112.4P571 S572 N573 T579P571-M575 PolarHBondContact O-N 3.24Å; S572-M575 PolarHBondContact O-N 3.41Å; N573-M575 VanDerWaalsContact C-N 3.35Å; M575-T579 PolarHBondContact O-N 3.46Å; M575-T579 VanDerWaalsContact O-N 3.08Å; M575-T579 PolarHBondContact O-OG1 3.19Å
576Y94.4Very high92.8Very high70 Ų7052.8 Ų52.828%0.27529%0.29SS..Hα-helixtrans-64.3-42.8174.4-63.7-32000111.7F551 S572 N573 D574 T579 V580F551-Y576 HydrophobicContact CB-CD2 3.99Å; F551-Y576 HydrophobicContact CB-CE2 4.4Å; F551-Y576 HydrophobicContact CB-CG 4.07Å; F551-Y576 HydrophobicContact CD1-CD1 4.15Å; F551-Y576 HydrophobicContact CD1-CE1 4.26Å; F551-Y576 AromaticContact CD2-CD1 4Å; F551-Y576 HydrophobicContact CD2-CD1 4Å; F551-Y576 AromaticContact CD2-CG 3.88Å; F551-Y576 HydrophobicContact CD2-CG 3.88Å; F551-Y576 HydrophobicContact CE1-CD1 4.28Å; F551-Y576 HydrophobicContact CE1-CE1 4.44Å; F551-Y576 HydrophobicContact CE2-CD1 4.14Å; F551-Y576 HydrophobicContact CE2-CG 4.4Å; F551-Y576 AromaticContact CG-CD1 3.99Å; F551-Y576 HydrophobicContact CG-CD1 3.99Å; F551-Y576 HydrophobicContact CG-CD2 4.34Å; F551-Y576 HydrophobicContact CG-CE1 4.46Å; F551-Y576 AromaticContact CG-CG 3.94Å; F551-Y576 HydrophobicContact CG-CG 3.94Å; F551-Y576 HydrophobicContact CZ-CD1 4.26Å; S572-Y576 VanDerWaalsContact O-CD2 3.25Å; S572-Y576 WeakPolarHBondContact O-CD2 3.49Å; S572-Y576 VanDerWaalsContact O-CG 3.26Å; S572-Y576 PolarHBondContact O-N 2.88Å; N573-Y576 PolarHBondContact O-N 3.32Å; D574-Y576 PolarHBondContact O-N 3.02Å; Y576-T579 PolarHBondContact O-N 3.23Å; Y576-V580 VanDerWaalsContact O-CG2 3.31Å; Y576-V580 WeakPolarHBondContact O-CG2 3.16Å; Y576-V580 PolarHBondContact O-N 3.17Å
577A94.1Very high92.4Very high0 Ų050.9 Ų50.90%028%0.281CS..Hα-helixtrans-61.4-46.4176.700000111.2I554 W567 N573 D574 T579 V580 T581I554-A577 HydrophobicContact CD1-CB 4.07Å; W567-A577 HydrophobicContact CD2-CB 3.62Å; W567-A577 VanDerWaalsContact CE2-CB 3.46Å; W567-A577 HydrophobicContact CE3-CB 3.89Å; W567-A577 HydrophobicContact CG-CB 4.2Å; W567-A577 HydrophobicContact CH2-CB 3.88Å; W567-A577 HydrophobicContact CZ2-CB 3.59Å; W567-A577 HydrophobicContact CZ3-CB 4.03Å; N573-A577 WeakPolarHBondContact O-CB 3.34Å; N573-A577 PolarHBondContact O-N 3.12Å; D574-A577 PolarHBondContact O-N 3.19Å; A577-T579 VanDerWaalsContact C-N 3.27Å; A577-T579 PolarHBondContact O-N 3.05Å; A577-V580 PolarHBondContact O-N 3.41Å; A577-T581 VanDerWaalsContact O-CB 3.3Å; A577-T581 WeakPolarHBondContact O-CB 3.25Å; A577-T581 PolarHBondContact O-N 2.89Å; A577-T581 PolarHBondContact O-OG1 3.35Å; A577-T581 VanDerWaalsContact O-OG1 3.07Å
578D94.6Very high91.9Very high100 Ų10052.2 Ų52.254%0.53529%0.289SS..Hα-helixtrans-58.8-39.4176-78.5-19.8000112.2D574 T581 T582D574-D578 PolarHBondContact O-N 3.37Å; D578-T581 PolarHBondContact O-N 3.32Å; D578-T582 WeakPolarHBondContact O-CB 3.32Å; D578-T582 PolarHBondContact O-N 3.47Å; D578-T582 PolarHBondContact O-OG1 2.76Å
579T93.7Very high91.5Very high49 Ų4952.3 Ų52.330%0.30130%0.297SS..Hα-helixtrans-65.9-46.9177.2-51.70000110.9L533 M575 Y576 A577 T582 V583L533-T579 HydrophobicContact CD1-CG2 3.77Å; L533-T579 HydrophobicContact CD2-CG2 3.59Å; L533-T579 HydrophobicContact CG-CG2 4.25Å; M575-T579 PolarHBondContact O-N 3.46Å; M575-T579 VanDerWaalsContact O-N 3.08Å; M575-T579 PolarHBondContact O-OG1 3.19Å; Y576-T579 PolarHBondContact O-N 3.23Å; A577-T579 VanDerWaalsContact C-N 3.27Å; A577-T579 PolarHBondContact O-N 3.05Å; T579-T582 WeakPolarHBondContact O-CB 3.48Å; T579-T582 PolarHBondContact O-N 3.4Å; T579-V583 WeakPolarHBondContact O-CG2 3.46Å; T579-V583 PolarHBondContact O-N 3.02Å; T579-V583 VanDerWaalsContact O-N 3.08Å
580V93.4Very high91Very high0 Ų053.3 Ų53.30%030%0.298CS..Hα-helixtrans-62.3-43.9176.8173.30000110.9L530 V550 F551 I554 V556 L565 Y576 A577 T582 V583 I584L530-V580 HydrophobicContact CD2-CB 4.4Å; L530-V580 HydrophobicContact CD2-CG1 3.92Å; L530-V580 HydrophobicContact CD2-CG2 4.26Å; V550-V580 HydrophobicContact CB-CG2 4.06Å; V550-V580 HydrophobicContact CG1-CG2 3.78Å; V550-V580 HydrophobicContact CG2-CG2 4.48Å; F551-V580 HydrophobicContact CD2-CG2 4.27Å; F551-V580 HydrophobicContact CE2-CG2 4.16Å; I554-V580 HydrophobicContact CG2-CG1 4.49Å; I554-V580 HydrophobicContact CG2-CG2 4.43Å; V556-V580 HydrophobicContact CG2-CG1 3.72Å; L565-V580 HydrophobicContact CD2-CB 4.19Å; L565-V580 HydrophobicContact CD2-CG1 3.79Å; L565-V580 HydrophobicContact CG-CG1 4.4Å; Y576-V580 VanDerWaalsContact O-CG2 3.31Å; Y576-V580 WeakPolarHBondContact O-CG2 3.16Å; Y576-V580 PolarHBondContact O-N 3.17Å; A577-V580 PolarHBondContact O-N 3.41Å; V580-T582 VanDerWaalsContact C-N 3.33Å; V580-T582 PolarHBondContact O-N 3.36Å; V580-V583 PolarHBondContact O-N 2.85Å; V580-I584 HydrophobicContact CG1-CD1 3.79Å; V580-I584 WeakPolarHBondContact O-CD1 3.39Å; V580-I584 VanDerWaalsContact O-CG1 3.3Å; V580-I584 WeakPolarHBondContact O-CG1 3.39Å; V580-I584 PolarHBondContact O-N 3.09Å
581T94.5Very high89.9Confident13 Ų1354.8 Ų54.88%0.0831%0.311CS..Hα-helixtrans-56.9-45.3174.1-72.50000111.6Q515 I517 L565 A577 D578 V583 I584 L585Q515-T581 PolarHBondContact OE1-OG1 3.24Å; Q515-T581 VanDerWaalsContact OE1-OG1 3.07Å; I517-T581 HydrophobicContact CD1-CG2 3.71Å; I517-T581 WeakPolarHBondContact CD1-OG1 3.5Å; L565-T581 VanDerWaalsContact CD2-OG1 3.31Å; L565-T581 WeakPolarHBondContact CD2-OG1 3.42Å; A577-T581 VanDerWaalsContact O-CB 3.3Å; A577-T581 WeakPolarHBondContact O-CB 3.25Å; A577-T581 PolarHBondContact O-N 2.89Å; A577-T581 PolarHBondContact O-OG1 3.35Å; A577-T581 VanDerWaalsContact O-OG1 3.07Å; D578-T581 PolarHBondContact O-N 3.32Å; T581-V583 PolarHBondContact O-N 3.27Å; T581-I584 PolarHBondContact O-N 3.13Å; T581-L585 HydrophobicContact CG2-CD1 3.87Å; T581-L585 HydrophobicContact CG2-CG 4.39Å; T581-L585 WeakPolarHBondContact O-CB 3.43Å; T581-L585 VanDerWaalsContact O-CG 3.29Å; T581-L585 WeakPolarHBondContact O-CG 3.31Å; T581-L585 PolarHBondContact O-N 2.91Å
582T93Very high88.8Confident85 Ų8557.6 Ų57.652%0.52131%0.311SS..Hα-helixtrans-60.7-45.1178.1-59.30000111.3D578 T579 V580 I584 L585 E586D578-T582 WeakPolarHBondContact O-CB 3.32Å; D578-T582 PolarHBondContact O-N 3.47Å; D578-T582 PolarHBondContact O-OG1 2.76Å; T579-T582 WeakPolarHBondContact O-CB 3.48Å; T579-T582 PolarHBondContact O-N 3.4Å; V580-T582 VanDerWaalsContact C-N 3.33Å; V580-T582 PolarHBondContact O-N 3.36Å; T582-I584 PolarHBondContact O-N 2.91Å; T582-L585 PolarHBondContact O-N 3.19Å; T582-E586 WeakPolarHBondContact O-CB 3.49Å; T582-E586 PolarHBondContact O-N 3.48Å
583V91.4Very high87.5Confident19 Ų1956.1 Ų56.112%0.11530%0.297CS..Hα-helixtrans-61.3-45176174.10000111.1Q529 L530 L533 T579 V580 T581 L585 E586 V587Q529-V583 HydrophobicContact CB-CG1 3.98Å; L530-V583 HydrophobicContact CD2-CB 4.12Å; L530-V583 HydrophobicContact CD2-CG1 3.92Å; L530-V583 HydrophobicContact CG-CG1 4.42Å; L533-V583 HydrophobicContact CD2-CG2 4.2Å; T579-V583 WeakPolarHBondContact O-CG2 3.46Å; T579-V583 PolarHBondContact O-N 3.02Å; T579-V583 VanDerWaalsContact O-N 3.08Å; V580-V583 PolarHBondContact O-N 2.85Å; T581-V583 PolarHBondContact O-N 3.27Å; V583-L585 PolarHBondContact O-N 3.49Å; V583-E586 PolarHBondContact O-N 3.09Å; V583-V587 HydrophobicContact CG1-CG2 4.35Å; V583-V587 VanDerWaalsContact O-CG2 3.26Å; V583-V587 WeakPolarHBondContact O-CG2 3.25Å; V583-V587 PolarHBondContact O-N 3.28Å
584I91.9Very high85.9Confident0 Ų058.9 Ų58.90%031%0.307CS..Hα-helixtrans-60.6-46.4178.6-68.5161.2000110.8I517 Y519 L526 V556 V563 L565 V580 T581 T582 E586 V587 Q588I517-I584 HydrophobicContact CB-CG2 4.21Å; I517-I584 HydrophobicContact CD1-CD1 4.25Å; I517-I584 HydrophobicContact CD1-CG2 4.42Å; I517-I584 HydrophobicContact CG2-CG2 3.7Å; Y519-I584 HydrophobicContact CD2-CG2 4.13Å; L526-I584 HydrophobicContact CD1-CB 4.41Å; L526-I584 HydrophobicContact CD1-CG1 3.55Å; L526-I584 HydrophobicContact CD2-CG1 4.11Å; L526-I584 HydrophobicContact CG-CG1 4.43Å; V556-I584 HydrophobicContact CG1-CD1 4.26Å; V563-I584 HydrophobicContact CG2-CD1 3.88Å; V563-I584 HydrophobicContact CG2-CG1 4.36Å; V563-I584 HydrophobicContact CG2-CG2 3.66Å; L565-I584 HydrophobicContact CD1-CD1 3.59Å; L565-I584 HydrophobicContact CD2-CD1 4.25Å; L565-I584 HydrophobicContact CG-CD1 4.24Å; V580-I584 HydrophobicContact CG1-CD1 3.79Å; V580-I584 WeakPolarHBondContact O-CD1 3.39Å; V580-I584 VanDerWaalsContact O-CG1 3.3Å; V580-I584 WeakPolarHBondContact O-CG1 3.39Å; V580-I584 PolarHBondContact O-N 3.09Å; T581-I584 PolarHBondContact O-N 3.13Å; T582-I584 PolarHBondContact O-N 2.91Å; I584-E586 VanDerWaalsContact C-N 3.35Å; I584-E586 PolarHBondContact O-N 2.67Å; I584-V587 PolarHBondContact O-N 3.11Å; I584-Q588 VanDerWaalsContact O-CB 3.29Å; I584-Q588 WeakPolarHBondContact O-CB 3.08Å; I584-Q588 PolarHBondContact O-N 3.05Å
585L90.9Very high84Confident87 Ų8764.4 Ų64.446%0.45533%0.329SS..Hα-helixtrans-64.9-37.6178.6-70174.2000112I517 T581 T582 V583 Q588 S589I517-L585 HydrophobicContact CG2-CD2 3.76Å; I517-L585 HydrophobicContact CG2-CG 4.33Å; T581-L585 HydrophobicContact CG2-CD1 3.87Å; T581-L585 HydrophobicContact CG2-CG 4.39Å; T581-L585 WeakPolarHBondContact O-CB 3.43Å; T581-L585 VanDerWaalsContact O-CG 3.29Å; T581-L585 WeakPolarHBondContact O-CG 3.31Å; T581-L585 PolarHBondContact O-N 2.91Å; T582-L585 PolarHBondContact O-N 3.19Å; V583-L585 PolarHBondContact O-N 3.49Å; L585-Q588 PolarHBondContact O-N 2.88Å; L585-S589 VanDerWaalsContact O-CB 3.26Å; L585-S589 WeakPolarHBondContact O-CB 3.46Å; L585-S589 PolarHBondContact O-N 2.93Å; L585-S589 PolarHBondContact O-OG 3.22Å
586E89.1Confident82Confident101 Ų10161.4 Ų61.447%0.47233%0.326SS..Hα-helixtrans-65-47.8175.5-170.9-178.117600111.4T582 V583 I584 Q588 S589 N590 I593T582-E586 WeakPolarHBondContact O-CB 3.49Å; T582-E586 PolarHBondContact O-N 3.48Å; V583-E586 PolarHBondContact O-N 3.09Å; I584-E586 VanDerWaalsContact C-N 3.35Å; I584-E586 PolarHBondContact O-N 2.67Å; E586-Q588 VanDerWaalsContact C-N 3.28Å; E586-Q588 PolarHBondContact O-N 3.15Å; E586-S589 PolarHBondContact O-N 3.26Å; E586-S589 PolarHBondContact O-OG 3.11Å; E586-N590 WeakPolarHBondContact O-CB 3.49Å; E586-N590 PolarHBondContact O-N 2.8Å; E586-I593 HydrophobicContact CG-CD1 4.23Å
587V86.9Confident79.7Confident2 Ų260.2 Ų60.21%0.01233%0.33CS..Hα-helixtrans-63.7-37177.8179.20000111.1Y519 L525 Q529 V583 I584 I593 R594Y519-V587 HydrophobicContact CE2-CB 4.23Å; Y519-V587 HydrophobicContact CE2-CG1 3.8Å; L525-V587 HydrophobicContact CD2-CG1 3.82Å; L525-V587 HydrophobicContact CG-CG1 4.02Å; Q529-V587 HydrophobicContact CB-CG2 4.03Å; Q529-V587 HydrophobicContact CG-CG2 3.75Å; V583-V587 HydrophobicContact CG1-CG2 4.35Å; V583-V587 VanDerWaalsContact O-CG2 3.26Å; V583-V587 WeakPolarHBondContact O-CG2 3.25Å; V583-V587 PolarHBondContact O-N 3.28Å; I584-V587 PolarHBondContact O-N 3.11Å; V587-I593 HydrophobicContact CG1-CG2 4.32Å; V587-I593 HydrophobicContact CG2-CG2 4.3Å; V587-R594 PolarHBondContact O-NE 3.44Å
588Q85.6Confident77.3Confident46 Ų4666.2 Ų66.222%0.21537%0.366CS..Hα-helixtrans-67.7-44.6176.3-176.167.61.100111.5P518 Y519 T520 I584 L585 E586 R594P518-Q588 WeakPolarHBondContact O-CG 3.41Å; Y519-Q588 VanDerWaalsContact CA-OE1 3.31Å; Y519-Q588 HydrophobicContact CD2-CB 4.21Å; T520-Q588 PolarHBondContact OG1-NE2 2.99Å; I584-Q588 VanDerWaalsContact O-CB 3.29Å; I584-Q588 WeakPolarHBondContact O-CB 3.08Å; I584-Q588 PolarHBondContact O-N 3.05Å; L585-Q588 PolarHBondContact O-N 2.88Å; E586-Q588 VanDerWaalsContact C-N 3.28Å; E586-Q588 PolarHBondContact O-N 3.15Å; Q588-R594 VanDerWaalsContact NE2-NH2 3.14Å; Q588-R594 PolarHBondContact O-NE 3.11Å; Q588-R594 PolarHBondContact O-NH2 3.02Å
589S84.7Confident74.7Confident91 Ų9169.7 Ų69.764%0.63638%0.38SS*.Hα-helixtrans-83.1-19.6-173.459.70000114.3L585 E586 P591L585-S589 VanDerWaalsContact O-CB 3.26Å; L585-S589 WeakPolarHBondContact O-CB 3.46Å; L585-S589 PolarHBondContact O-N 2.93Å; L585-S589 PolarHBondContact O-OG 3.22Å; E586-S589 PolarHBondContact O-N 3.26Å; E586-S589 PolarHBondContact O-OG 3.11Å; S589-P591 WeakPolarHBondContact O-CD 3.43Å
590N81.6Confident72.4Confident50 Ų5074.2 Ų74.227%0.26740%0.395SS..  trans-100.7106.2-174.5-166.5-22.6000113.5E586 K592 I593 R594E586-N590 WeakPolarHBondContact O-CB 3.49Å; E586-N590 PolarHBondContact O-N 2.8Å; N590-K592 PolarHBondContact O-N 3.33Å; N590-K592 WeakPolarHBondContact OD1-CB 3.42Å; N590-K592 PolarHBondContact OD1-N 3.29Å; N590-K592 VanDerWaalsContact OD1-N 3.1Å; N590-I593 HydrophobicContact CB-CB 4.36Å; N590-I593 HydrophobicContact CB-CD1 3.87Å; N590-I593 HydrophobicContact CB-CG1 4.05Å; N590-I593 WeakPolarHBondContact ND2-CD1 3.28Å; N590-I593 PolarHBondContact O-N 3.3Å; N590-R594 PolarHBondContact O-N 3.4Å
591P66.6Low69.8Low88 Ų8880.8 Ų80.857%0.57144%0.435SS*.Hα-helixtrans-66.9-22.3-178.2-17.331.2000113.9S589 K595S589-P591 WeakPolarHBondContact O-CD 3.43Å; P591-K595 WeakPolarHBondContact O-CG 3.5Å; P591-K595 PolarHBondContact O-N 3.38Å
592K66.3Low67.3Low177 Ų17784.9 Ų84.977%0.7746%0.464SS*.Hα-helixtrans-72.5-38.6179.6-65.1-177.9179.2178.10111.3N590 K595 G596N590-K592 PolarHBondContact O-N 3.33Å; N590-K592 WeakPolarHBondContact OD1-CB 3.42Å; N590-K592 PolarHBondContact OD1-N 3.29Å; N590-K592 VanDerWaalsContact OD1-N 3.1Å; K592-K595 PolarHBondContact O-N 3.1Å; K592-G596 PolarHBondContact O-N 3.2Å; K592-G596 VanDerWaalsContact O-N 3.1Å
593I64.7Low65Low33 Ų3390.7 Ų90.717%0.16948%0.482CS..Hα-helixtrans-66.3-42.4177.4-62.8178.4000110.2L525 E586 V587 N590 K595 G596L525-I593 HydrophobicContact CD1-CG2 4.4Å; E586-I593 HydrophobicContact CG-CD1 4.23Å; V587-I593 HydrophobicContact CG1-CG2 4.32Å; V587-I593 HydrophobicContact CG2-CG2 4.3Å; N590-I593 HydrophobicContact CB-CB 4.36Å; N590-I593 HydrophobicContact CB-CD1 3.87Å; N590-I593 HydrophobicContact CB-CG1 4.05Å; N590-I593 WeakPolarHBondContact ND2-CD1 3.28Å; N590-I593 PolarHBondContact O-N 3.3Å; I593-K595 VanDerWaalsContact C-N 3.32Å; I593-K595 PolarHBondContact O-N 2.97Å; I593-G596 PolarHBondContact O-N 3.47Å
594R59.7Low62.9Low70 Ų7098.7 Ų98.726%0.26452%0.515SS..Hα-helixtrans-62.7-34.9175.4-65-165.1-168.1-161.117.1113.7T520 L525 V587 Q588 N590T520-R594 PolarHBondContact OG1-NH1 3.36Å; L525-R594 HydrophobicContact CD2-CG 4.46Å; V587-R594 PolarHBondContact O-NE 3.44Å; Q588-R594 VanDerWaalsContact NE2-NH2 3.14Å; Q588-R594 PolarHBondContact O-NE 3.11Å; Q588-R594 PolarHBondContact O-NH2 3.02Å; N590-R594 PolarHBondContact O-N 3.4Å
595K53.2Low61.3Low163 Ų163101 Ų10171%0.70953%0.527SS*.Hα-helixtrans-76.9-29.4178.5-75.7-177.4178.6-175.80113.4P591 K592 I593 A597P591-K595 WeakPolarHBondContact O-CG 3.5Å; P591-K595 PolarHBondContact O-N 3.38Å; K592-K595 PolarHBondContact O-N 3.1Å; I593-K595 VanDerWaalsContact C-N 3.32Å; I593-K595 PolarHBondContact O-N 2.97Å; K595-A597 VanDerWaalsContact C-N 3.3Å; K595-A597 PolarHBondContact O-N 3.17Å
596G50.7Low60Low46 Ų46103.7 Ų103.747%0.47454%0.537SS..Hα-helixtrans-69.6-22.417900000114.7K592 I593K592-G596 PolarHBondContact O-N 3.2Å; K592-G596 VanDerWaalsContact O-N 3.1Å; I593-G596 PolarHBondContact O-N 3.47Å
597A47.3Very low58.9Low44 Ų44103 Ų10336%0.36454%0.536SS..G310 helixtrans-73-26.1-176.900000114.2L525 K595 Q599L525-A597 HydrophobicContact CB-CB 4.25Å; L525-A597 HydrophobicContact CD1-CB 3.6Å; L525-A597 HydrophobicContact CD2-CB 3.96Å; L525-A597 HydrophobicContact CG-CB 4.14Å; K595-A597 VanDerWaalsContact C-N 3.3Å; K595-A597 PolarHBondContact O-N 3.17Å; A597-Q599 PolarHBondContact O-N 3.04Å
598V43.6Very low58.1Low126 Ų126109.8 Ų109.876%0.76457%0.567SS**G310 helixtrans-75.1-10.4-176.1-175.50000112
599Q41.1Very low57.6Low174 Ų174110.3 Ų110.381%0.81357%0.573SS**G310 helixtrans-114.74.4-168.2-106.7169.8-9.600116.8A597A597-Q599 PolarHBondContact O-N 3.04Å
600K45.1Very low57.4Low144 Ų144106 Ų10663%0.62654%0.543SS*.  trans-125.468.9177.3-77.2-173.8172.8-174.70111.9
601V38.8Very low57.2Low138 Ų138104.7 Ų104.784%0.83654%0.538SS*.  trans-76.4117.4152.8178.40000106.8K603V601-K603 PolarHBondContact O-N 3.24Å
602S41.4Very low57.8Low98 Ų98106.5 Ų106.569%0.68554%0.536SS*.  trans-39.5119.4175.3156.50000113.2K604S602-K604 PolarHBondContact O-N 3.05Å
603K43.7Very low58.6Low207 Ų207104.6 Ų104.690%0.952%0.524SS*.  trans-73.3105.8154.6-91.6-173.6175.1-177.10107V601 L605V601-K603 PolarHBondContact O-N 3.24Å; K603-L605 PolarHBondContact O-N 3.45Å
604K47.5Very low59.4Low188 Ų188103 Ų10382%0.81752%0.516SS*.  trans-55.8125.5166.9-131.3179.6-178.4-176.10107.6S602 E606S602-K604 PolarHBondContact O-N 3.05Å; K604-E606 PolarHBondContact O-N 2.96Å
605L58.1Low60.5Low48 Ų48102.3 Ų102.325%0.25152%0.516SS..  trans-60.4120.5171.5-175.172.9000107.9K603 M607 Y610 Y677 L680K603-L605 PolarHBondContact O-N 3.45Å; L605-M607 PolarHBondContact O-N 2.85Å; L605-M607 VanDerWaalsContact O-N 3.12Å; L605-Y610 HydrophobicContact CD2-CD2 4.44Å; L605-Y610 HydrophobicContact CD2-CG 4.28Å; L605-Y677 HydrophobicContact CD2-CD2 3.93Å; L605-Y677 HydrophobicContact CD2-CE2 3.61Å; L605-L680 HydrophobicContact CD1-CB 3.85Å
606E65.1Low62Low143 Ų14398.5 Ų98.567%0.66850%0.502SS*.  trans-69.6107.8172.5-75.6-176.5177.300108.4K604 H608 V609 Y610K604-E606 PolarHBondContact O-N 2.96Å; E606-H608 PolarHBondContact O-N 2.73Å; E606-H608 VanDerWaalsContact O-N 3.07Å; E606-V609 HydrophobicContact CB-CB 4.43Å; E606-V609 HydrophobicContact CB-CG2 3.94Å; E606-V609 WeakPolarHBondContact O-CB 3.3Å; E606-V609 PolarHBondContact O-N 2.87Å; E606-Y610 PolarHBondContact O-N 2.73Å
607M66.4Low63.6Low88 Ų8898.7 Ų98.743%0.43349%0.492SS..Hα-helixtrans-56.5-29.4-174.1-159.5668900112.7L605 V609 Y610 S611L605-M607 PolarHBondContact O-N 2.85Å; L605-M607 VanDerWaalsContact O-N 3.12Å; M607-V609 VanDerWaalsContact C-N 3.33Å; M607-V609 PolarHBondContact O-N 3.05Å; M607-Y610 PolarHBondContact O-N 2.68Å; M607-Y610 HydrophobicContact SD-CD1 4.03Å; M607-S611 WeakPolarHBondContact O-CB 3.19Å; M607-S611 PolarHBondContact O-N 2.77Å
608H70Confident65.3Low143 Ų14396.6 Ų96.666%0.66247%0.474SS*.Hα-helixtrans-65.1-34.4175.5-165.565.5000113E606 K612E606-H608 PolarHBondContact O-N 2.73Å; E606-H608 VanDerWaalsContact O-N 3.07Å; H608-K612 WeakPolarHBondContact O-CB 3.4Å; H608-K612 PolarHBondContact O-N 3.04Å
609V74.9Confident67.2Low57 Ų5792.9 Ų92.935%0.34545%0.449SS..Hα-helixtrans-74.3-36.1176.4-179.10000111E606 M607 R613E606-V609 HydrophobicContact CB-CB 4.43Å; E606-V609 HydrophobicContact CB-CG2 3.94Å; E606-V609 WeakPolarHBondContact O-CB 3.3Å; E606-V609 PolarHBondContact O-N 2.87Å; M607-V609 VanDerWaalsContact C-N 3.33Å; M607-V609 PolarHBondContact O-N 3.05Å; V609-R613 WeakPolarHBondContact O-CB 3.45Å; V609-R613 VanDerWaalsContact O-CG 3.29Å; V609-R613 WeakPolarHBondContact O-CG 3.34Å; V609-R613 PolarHBondContact O-N 3.41Å
610Y79Confident69.2Low1 Ų191.2 Ų91.20%0.00445%0.445CS..Hα-helixtrans-64.4-52.5174175-112.7000111.2L605 E606 M607 K612 R613 L614 A673 L676 Y677 L680L605-Y610 HydrophobicContact CD2-CD2 4.44Å; L605-Y610 HydrophobicContact CD2-CG 4.28Å; E606-Y610 PolarHBondContact O-N 2.73Å; M607-Y610 PolarHBondContact O-N 2.68Å; M607-Y610 HydrophobicContact SD-CD1 4.03Å; Y610-K612 PolarHBondContact O-N 3.25Å; Y610-R613 PolarHBondContact O-N 2.9Å; Y610-L614 HydrophobicContact CE1-CD2 3.99Å; Y610-L614 HydrophobicContact CE2-CD2 4.5Å; Y610-L614 WeakPolarHBondContact O-CB 3.21Å; Y610-L614 PolarHBondContact O-N 3.09Å; Y610-A673 PolarHBondContact OH-O 2.68Å; Y610-L676 HydrophobicContact CE2-CB 4.36Å; Y610-L676 HydrophobicContact CE2-CD2 4.32Å; Y610-L676 HydrophobicContact CE2-CG 4.24Å; Y610-Y677 HydrophobicContact CD2-CD2 4.17Å; Y610-Y677 HydrophobicContact CE1-CD2 4.2Å; Y610-Y677 AromaticContact CE2-CD2 3.86Å; Y610-Y677 HydrophobicContact CE2-CD2 3.86Å; Y610-Y677 HydrophobicContact CE2-CG 4.28Å; Y610-Y677 HydrophobicContact CG-CD2 4.5Å; Y610-Y677 AromaticContact CZ-CD2 3.87Å; Y610-L680 HydrophobicContact CD2-CD1 3.88Å
611S77.5Confident70.9Confident23 Ų2388.7 Ų88.716%0.16144%0.437CS..Hα-helixtrans-54.2-51.3179.3177.10000111.9M607 R613 L614 E615 L648M607-S611 WeakPolarHBondContact O-CB 3.19Å; M607-S611 PolarHBondContact O-N 2.77Å; S611-R613 PolarHBondContact O-N 3.29Å; S611-L614 WeakPolarHBondContact O-CB 3.42Å; S611-L614 PolarHBondContact O-N 3.11Å; S611-E615 PolarHBondContact O-N 2.99Å; S611-L648 WeakPolarHBondContact OG-CD1 3.45Å
612K80.1Confident73Confident125 Ų12584 Ų8454%0.54341%0.406SS..Hα-helixtrans-65.8-34.5-178.3-164.9167.5-170.7167.70113.8H608 Y610 I616H608-K612 WeakPolarHBondContact O-CB 3.4Å; H608-K612 PolarHBondContact O-N 3.04Å; Y610-K612 PolarHBondContact O-N 3.25Å; K612-I616 WeakPolarHBondContact O-CD1 3.44Å; K612-I616 VanDerWaalsContact O-CG1 3.28Å; K612-I616 WeakPolarHBondContact O-CG1 3.45Å; K612-I616 PolarHBondContact O-N 2.97Å
613R81.9Confident74.8Confident137 Ų13780.8 Ų80.852%0.51739%0.389SS..Hα-helixtrans-74.3-34.2175.8-74.4-176.7-178.6-150.72.1111.9V609 Y610 S611 M617 L676 L680V609-R613 WeakPolarHBondContact O-CB 3.45Å; V609-R613 VanDerWaalsContact O-CG 3.29Å; V609-R613 WeakPolarHBondContact O-CG 3.34Å; V609-R613 PolarHBondContact O-N 3.41Å; Y610-R613 PolarHBondContact O-N 2.9Å; S611-R613 PolarHBondContact O-N 3.29Å; R613-M617 WeakPolarHBondContact O-CB 3.22Å; R613-M617 PolarHBondContact O-N 3.25Å; R613-L676 HydrophobicContact CB-CD2 4.09Å; R613-L680 HydrophobicContact CB-CD1 4.41Å; R613-L680 VanDerWaalsContact NH1-CD2 3.31Å
614L83.3Confident76.4Confident0 Ų078 Ų780%038%0.379CS..Hα-helixtrans-68.3-41.8177.4-172.655.7000111.1Y610 S611 M617 L618 L646 L648 A673 L676Y610-L614 HydrophobicContact CE1-CD2 3.99Å; Y610-L614 HydrophobicContact CE2-CD2 4.5Å; Y610-L614 WeakPolarHBondContact O-CB 3.21Å; Y610-L614 PolarHBondContact O-N 3.09Å; S611-L614 WeakPolarHBondContact O-CB 3.42Å; S611-L614 PolarHBondContact O-N 3.11Å; L614-M617 HydrophobicContact CD1-CE 3.88Å; L614-M617 PolarHBondContact O-N 2.92Å; L614-L618 HydrophobicContact CD1-CD1 4.03Å; L614-L618 HydrophobicContact CD1-CG 4.15Å; L614-L618 HydrophobicContact CG-CD1 3.92Å; L614-L618 HydrophobicContact CG-CG 4.46Å; L614-L618 WeakPolarHBondContact O-CB 3.38Å; L614-L618 VanDerWaalsContact O-CG 3.26Å; L614-L618 WeakPolarHBondContact O-CG 3.35Å; L614-L618 PolarHBondContact O-N 3.48Å; L614-L646 HydrophobicContact CD2-CD2 3.43Å; L614-L646 VanDerWaalsContact CD2-CD2 3.43Å; L614-L646 HydrophobicContact CG-CD2 4.3Å; L614-L648 HydrophobicContact CD2-CD2 3.66Å; L614-A673 HydrophobicContact CD1-CB 4.16Å; L614-A673 HydrophobicContact CD2-CB 4.1Å; L614-L676 HydrophobicContact CB-CD2 3.67Å; L614-L676 HydrophobicContact CD1-CB 4.45Å; L614-L676 HydrophobicContact CD1-CD2 3.75Å; L614-L676 HydrophobicContact CG-CD2 4.3Å
615E82.8Confident77.8Confident56 Ų5677.2 Ų77.226%0.26238%0.384SS..Hα-helixtrans-54.7-55171.9-168.7-176.7176.600111.1S611 M617 L618 Q619 I627 L635S611-E615 PolarHBondContact O-N 2.99Å; E615-M617 VanDerWaalsContact C-N 3.33Å; E615-M617 PolarHBondContact O-N 2.86Å; E615-L618 PolarHBondContact O-N 3.19Å; E615-Q619 WeakPolarHBondContact O-CB 3.4Å; E615-Q619 VanDerWaalsContact O-CG 3.26Å; E615-Q619 WeakPolarHBondContact O-CG 3.3Å; E615-Q619 PolarHBondContact O-N 3.4Å; E615-I627 HydrophobicContact CG-CG2 4.36Å; E615-L635 HydrophobicContact CB-CD1 3.95Å; E615-L635 HydrophobicContact CG-CD1 4.32Å
616I83.3Confident78.8Confident82 Ų8276.3 Ų76.342%0.42138%0.381SS..Hα-helixtrans-59-44179-65.6165000111.4K612 L618 Q619 D620K612-I616 WeakPolarHBondContact O-CD1 3.44Å; K612-I616 VanDerWaalsContact O-CG1 3.28Å; K612-I616 WeakPolarHBondContact O-CG1 3.45Å; K612-I616 PolarHBondContact O-N 2.97Å; I616-L618 PolarHBondContact O-N 3.02Å; I616-Q619 WeakPolarHBondContact O-CB 3.35Å; I616-Q619 PolarHBondContact O-N 2.88Å; I616-D620 PolarHBondContact O-N 3.26Å
617M84.4Confident79.6Confident51 Ų5170.6 Ų70.625%0.25136%0.355SS..Hα-helixtrans-65.9-40.4-178.6-169.1-175.372.200111.8R613 L614 E615 Q619 D620 I621 A672 L676R613-M617 WeakPolarHBondContact O-CB 3.22Å; R613-M617 PolarHBondContact O-N 3.25Å; L614-M617 HydrophobicContact CD1-CE 3.88Å; L614-M617 PolarHBondContact O-N 2.92Å; E615-M617 VanDerWaalsContact C-N 3.33Å; E615-M617 PolarHBondContact O-N 2.86Å; M617-Q619 VanDerWaalsContact C-N 3.33Å; M617-D620 PolarHBondContact O-N 3.2Å; M617-I621 HydrophobicContact CE-CD1 4.46Å; M617-I621 HydrophobicContact CG-CD1 4.13Å; M617-I621 WeakPolarHBondContact O-CD1 3.43Å; M617-I621 WeakPolarHBondContact O-CG1 3.49Å; M617-I621 PolarHBondContact O-N 2.93Å; M617-I621 VanDerWaalsContact O-N 3.16Å; M617-A672 HydrophobicContact CE-CB 3.62Å; M617-A672 VanDerWaalsContact CE-O 3.32Å; M617-A672 WeakPolarHBondContact CE-O 3.31Å; M617-L676 HydrophobicContact CE-CB 3.97Å; M617-L676 HydrophobicContact CE-CD2 4.29Å; M617-L676 HydrophobicContact SD-CB 4.16Å; M617-L676 HydrophobicContact SD-CD1 4.26Å; M617-L676 HydrophobicContact SD-CD2 4.37Å; M617-L676 HydrophobicContact SD-CG 4.49Å
618L83.9Confident80.2Confident0 Ų071.2 Ų71.20%036%0.36CS..Hα-helixtrans-69.8-34.3176-68169.9000110.5L614 E615 I616 D620 I621 F622 I627 L635 V637 V669 A672L614-L618 HydrophobicContact CD1-CD1 4.03Å; L614-L618 HydrophobicContact CD1-CG 4.15Å; L614-L618 HydrophobicContact CG-CD1 3.92Å; L614-L618 HydrophobicContact CG-CG 4.46Å; L614-L618 WeakPolarHBondContact O-CB 3.38Å; L614-L618 VanDerWaalsContact O-CG 3.26Å; L614-L618 WeakPolarHBondContact O-CG 3.35Å; L614-L618 PolarHBondContact O-N 3.48Å; E615-L618 PolarHBondContact O-N 3.19Å; I616-L618 PolarHBondContact O-N 3.02Å; L618-D620 VanDerWaalsContact C-N 3.33Å; L618-I621 PolarHBondContact O-N 3.25Å; L618-F622 HydrophobicContact CB-CD2 4.5Å; L618-F622 HydrophobicContact CD2-CD2 4.16Å; L618-F622 HydrophobicContact CD2-CE2 3.79Å; L618-F622 WeakPolarHBondContact O-CD2 3.3Å; L618-F622 PolarHBondContact O-N 3.48Å; L618-I627 HydrophobicContact CB-CD1 3.28Å; L618-I627 HydrophobicContact CB-CG1 4.5Å; L618-I627 WeakPolarHBondContact O-CD1 3.48Å; L618-L635 HydrophobicContact CD1-CD2 3.78Å; L618-V637 HydrophobicContact CD1-CG2 4.06Å; L618-V669 HydrophobicContact CD2-CG1 4.47Å; L618-A672 HydrophobicContact CD2-CB 4.16Å
619Q83.8Confident80.5Confident48 Ų4867.4 Ų67.422%0.22435%0.347CS..Hα-helixtrans-62.8-40.8174.9-74.7173-18.600110.9E615 I616 M617 I621 G623 E624 I627E615-Q619 WeakPolarHBondContact O-CB 3.4Å; E615-Q619 VanDerWaalsContact O-CG 3.26Å; E615-Q619 WeakPolarHBondContact O-CG 3.3Å; E615-Q619 PolarHBondContact O-N 3.4Å; I616-Q619 WeakPolarHBondContact O-CB 3.35Å; I616-Q619 PolarHBondContact O-N 2.88Å; M617-Q619 VanDerWaalsContact C-N 3.33Å; Q619-I621 VanDerWaalsContact C-N 3.32Å; Q619-I621 PolarHBondContact O-N 3.48Å; Q619-G623 CarbonylContact O-C 3.58Å; Q619-G623 WeakPolarHBondContact O-CA 3.33Å; Q619-G623 PolarHBondContact O-N 3.08Å; Q619-E624 HydrophobicContact CB-CG 4.37Å; Q619-I627 HydrophobicContact CB-CD1 4.23Å; Q619-I627 HydrophobicContact CG-CB 4.4Å; Q619-I627 HydrophobicContact CG-CD1 3.71Å
620D82.3Confident80.1Confident138 Ų13869.5 Ų69.574%0.73835%0.351SS*.Hα-helixtrans-65.6-33.4174.8-81.8-14000112.6I616 M617 L618I616-D620 PolarHBondContact O-N 3.26Å; M617-D620 PolarHBondContact O-N 3.2Å; L618-D620 VanDerWaalsContact C-N 3.33Å
621I81.1Confident79.4Confident91 Ų9174.5 Ų74.547%0.46738%0.378SS..Hα-helixtrans-80.7-43.3-177.2-66.7165.4000111.8M617 L618 Q619 A672M617-I621 HydrophobicContact CE-CD1 4.46Å; M617-I621 HydrophobicContact CG-CD1 4.13Å; M617-I621 WeakPolarHBondContact O-CD1 3.43Å; M617-I621 WeakPolarHBondContact O-CG1 3.49Å; M617-I621 PolarHBondContact O-N 2.93Å; M617-I621 VanDerWaalsContact O-N 3.16Å; L618-I621 PolarHBondContact O-N 3.25Å; Q619-I621 VanDerWaalsContact C-N 3.32Å; Q619-I621 PolarHBondContact O-N 3.48Å; I621-A672 HydrophobicContact CD1-CB 4.42Å
622F82.8Confident78.7Confident39 Ų3981 Ų8117%0.17141%0.411CS..Hα-helixtrans-113-13.2-169.5-60.7-71.3000114.2L618 C626 V637 V639 L665 M668 V669L618-F622 HydrophobicContact CB-CD2 4.5Å; L618-F622 HydrophobicContact CD2-CD2 4.16Å; L618-F622 HydrophobicContact CD2-CE2 3.79Å; L618-F622 WeakPolarHBondContact O-CD2 3.3Å; L618-F622 PolarHBondContact O-N 3.48Å; F622-C626 HydrophobicContact CB-CB 4.08Å; F622-C626 PolarHBondContact O-SG 3.05Å; F622-V637 HydrophobicContact CB-CG1 4.37Å; F622-V637 HydrophobicContact CD2-CG1 3.81Å; F622-V637 HydrophobicContact CE2-CG1 4.25Å; F622-V637 HydrophobicContact CG-CG1 4.04Å; F622-V639 HydrophobicContact CB-CG2 4.03Å; F622-V639 HydrophobicContact CD1-CG2 3.72Å; F622-V639 HydrophobicContact CE1-CG2 4.49Å; F622-V639 HydrophobicContact CG-CG2 4.08Å; F622-L665 HydrophobicContact CD1-CD1 4.48Å; F622-L665 HydrophobicContact CE1-CD1 3.81Å; F622-L665 HydrophobicContact CZ-CD1 4.08Å; F622-M668 HydrophobicContact CZ-CB 4.28Å; F622-V669 HydrophobicContact CE2-CG2 4.02Å; F622-V669 HydrophobicContact CZ-CG2 4.13Å
623G78.6Confident78.2Confident32 Ų3277.3 Ų77.333%0.3340%0.4SS..  trans98.1147.9-174.900000112.8Q619 D625 C626Q619-G623 CarbonylContact O-C 3.58Å; Q619-G623 WeakPolarHBondContact O-CA 3.33Å; Q619-G623 PolarHBondContact O-N 3.08Å; G623-D625 VanDerWaalsContact C-N 3.29Å; G623-D625 PolarHBondContact O-N 3.48Å; G623-C626 WeakPolarHBondContact O-CB 3.35Å; G623-C626 PolarHBondContact O-N 2.94Å; G623-C626 VanDerWaalsContact O-N 3.13Å
624E77.4Confident78.2Confident149 Ų14973.2 Ų73.270%0.69639%0.389SS*.G310 helixtrans-58.7-37.3-175.7-70.5-177.1173.100113.1Q619 C626 I627Q619-E624 HydrophobicContact CB-CG 4.37Å; E624-C626 PolarHBondContact O-N 3.36Å; E624-I627 PolarHBondContact O-N 3.07Å
625D77.9Confident78.2Confident170 Ų17073.3 Ų73.391%0.90939%0.389SS*.G310 helixtrans-72.2-10.2-178.1-62-35.7000113.7G623G623-D625 VanDerWaalsContact C-N 3.29Å; G623-D625 PolarHBondContact O-N 3.48Å
626C78.6Confident78.2Confident29 Ų2970.7 Ų70.720%0.19638%0.377CS..G310 helixtrans-92.4-2.1-176.5-64.60000113.1F622 G623 E624 V637 T638 V639F622-C626 HydrophobicContact CB-CB 4.08Å; F622-C626 PolarHBondContact O-SG 3.05Å; G623-C626 WeakPolarHBondContact O-CB 3.35Å; G623-C626 PolarHBondContact O-N 2.94Å; G623-C626 VanDerWaalsContact O-N 3.13Å; E624-C626 PolarHBondContact O-N 3.36Å; C626-V637 CarbonylContact O-C 3.53Å; C626-V637 WeakPolarHBondContact O-CA 3.22Å; C626-T638 WeakPolarHBondContact CA-O 3.5Å; C626-T638 WeakPolarHBondContact CB-O 3.26Å; C626-T638 PolarHBondContact O-N 3.23Å; C626-T638 PolarHBondContact SG-O 3Å; C626-V639 HydrophobicContact CB-CG2 4.24Å
627I82.6Confident78.2Confident23 Ų2366.8 Ų66.812%0.11836%0.357CS..EExtended strand (participates in β ladder)trans-121.5129.2-172-64.8-179000111.3E615 L618 Q619 E624 L635 S636 V637E615-I627 HydrophobicContact CG-CG2 4.36Å; L618-I627 HydrophobicContact CB-CD1 3.28Å; L618-I627 HydrophobicContact CB-CG1 4.5Å; L618-I627 WeakPolarHBondContact O-CD1 3.48Å; Q619-I627 HydrophobicContact CB-CD1 4.23Å; Q619-I627 HydrophobicContact CG-CB 4.4Å; Q619-I627 HydrophobicContact CG-CD1 3.71Å; E624-I627 PolarHBondContact O-N 3.07Å; I627-L635 HydrophobicContact CG2-CD2 3.55Å; I627-L635 HydrophobicContact CG2-CG 4.36Å; I627-S636 WeakPolarHBondContact CA-O 3.38Å; I627-V637 HydrophobicContact CG1-CG2 4.36Å
628N79.1Confident78.1Confident102 Ų10266.7 Ų66.755%0.54536%0.359SS..EExtended strand (participates in β ladder)trans-134.1124.9178.3-156.6-5.6000110.4K630 S636N628-K630 PolarHBondContact O-N 2.87Å; N628-S636 PolarHBondContact N-O 3.13Å; N628-S636 PolarHBondContact O-N 3.4Å; N628-S636 PolarHBondContact O-OG 2.75Å
629V75.1Confident77.9Confident63 Ų6368.3 Ų68.338%0.38237%0.369SS..EExtended strand (participates in β ladder)trans-87.3105.9176.7-177.50000107.2D631 L635V629-D631 WeakPolarHBondContact CG1-O 3.4Å; V629-L635 HydrophobicContact CG2-CG 4.4Å
630K65.8Low77.5Confident101 Ų10173.7 Ų73.744%0.43940%0.399SS..EExtended strand (participates in β ladder)trans-78.7-39.2-178.3-74.5-179.5179.5170.50111.2N628 I634 N645 E656N628-K630 PolarHBondContact O-N 2.87Å; K630-I634 PolarHBondContact N-O 3.4Å; K630-N645 PolarHBondContact NZ-OD1 2.87Å; K630-E656 IonicContact NZ-OE1 3.11Å; K630-E656 PolarHBondContact NZ-OE1 3.13Å; K630-E656 VanDerWaalsContact NZ-OE1 3.17Å
631D65.4Low76.9Confident106 Ų10670.6 Ų70.657%0.56740%0.4SS*.EExtended strand (participates in β ladder)trans-149.9163.9177.2-81.1-40.7000110.2V629 S633 I634V629-D631 WeakPolarHBondContact CG1-O 3.4Å; D631-S633 PolarHBondContact O-N 2.78Å; D631-I634 PolarHBondContact O-N 3Å
632D62.3Low76.7Confident160 Ų16070.1 Ų70.186%0.85639%0.394SS*.THydrogen-bonded Turntrans-55-14.2178.6-91.7-13.6000114.1
633S70.7Confident76.6Confident46 Ų4669.2 Ų69.232%0.32239%0.392SS..THydrogen-bonded Turntrans-113.7-9.5-178.657.40000115.1D631 L648D631-S633 PolarHBondContact O-N 2.78Å; S633-L648 WeakPolarHBondContact O-CB 3.47Å; S633-L648 WeakPolarHBondContact O-CG 3.35Å; S633-L648 PolarHBondContact O-N 2.88Å
634I80.8Confident76.8Confident52 Ų5267.7 Ų67.727%0.26738%0.376SS..EExtended strand (participates in β ladder)trans-132.4124.5-174.7-57.2178000111.4K630 D631 N645 L646K630-I634 PolarHBondContact N-O 3.4Å; D631-I634 PolarHBondContact O-N 3Å; I634-N645 HydrophobicContact CG2-CB 4.15Å; I634-L646 WeakPolarHBondContact CA-O 3.34Å
635L83.1Confident77.1Confident1 Ų162.1 Ų62.11%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-112.9118.6-179.9-150.4145.5000108.9E615 L618 I627 V629 V637 L646 L648E615-L635 HydrophobicContact CB-CD1 3.95Å; E615-L635 HydrophobicContact CG-CD1 4.32Å; L618-L635 HydrophobicContact CD1-CD2 3.78Å; I627-L635 HydrophobicContact CG2-CD2 3.55Å; I627-L635 HydrophobicContact CG2-CG 4.36Å; V629-L635 HydrophobicContact CG2-CG 4.4Å; L635-V637 HydrophobicContact CD2-CG2 4.35Å; L635-L646 PolarHBondContact N-O 2.91Å; L635-L646 WeakPolarHBondContact O-CB 3.28Å; L635-L646 PolarHBondContact O-N 2.77Å; L635-L648 HydrophobicContact CB-CD2 4.37Å; L635-L648 HydrophobicContact CD1-CD2 4.47Å
636S82.8Confident77.3Confident2 Ų254 Ų541%0.01431%0.308CS..EExtended strand (participates in β ladder)trans-103130-177.6650000111.2I627 N628 A644 N645I627-S636 WeakPolarHBondContact CA-O 3.38Å; N628-S636 PolarHBondContact N-O 3.13Å; N628-S636 PolarHBondContact O-N 3.4Å; N628-S636 PolarHBondContact O-OG 2.75Å; S636-A644 CarbonylContact C-O 3.52Å; S636-A644 WeakPolarHBondContact CA-O 3.43Å; S636-N645 VanDerWaalsContact CB-OD1 3.26Å; S636-N645 WeakPolarHBondContact CB-OD1 3.43Å
637V84.3Confident77.4Confident0 Ų054.9 Ų54.90%031%0.31CS..EExtended strand (participates in β ladder)trans-112.7116.7178.6-176.80000107.9L618 F622 C626 I627 L635 V639 T643 A644 V669L618-V637 HydrophobicContact CD1-CG2 4.06Å; F622-V637 HydrophobicContact CB-CG1 4.37Å; F622-V637 HydrophobicContact CD2-CG1 3.81Å; F622-V637 HydrophobicContact CE2-CG1 4.25Å; F622-V637 HydrophobicContact CG-CG1 4.04Å; C626-V637 CarbonylContact O-C 3.53Å; C626-V637 WeakPolarHBondContact O-CA 3.22Å; I627-V637 HydrophobicContact CG1-CG2 4.36Å; L635-V637 HydrophobicContact CD2-CG2 4.35Å; V637-V639 HydrophobicContact CG1-CG2 4.15Å; V637-T643 CarbonylContact O-C 3.59Å; V637-T643 WeakPolarHBondContact O-CA 3.5Å; V637-A644 PolarHBondContact N-O 2.85Å; V637-A644 PolarHBondContact O-N 2.86Å; V637-V669 HydrophobicContact CB-CG2 4.24Å; V637-V669 HydrophobicContact CG1-CG2 4.33Å; V637-V669 HydrophobicContact CG2-CG1 4.35Å; V637-V669 HydrophobicContact CG2-CG2 4.22Å
638T82.5Confident77.1Confident48 Ų4854.1 Ų54.129%0.29431%0.307SS..EExtended strand (participates in β ladder)trans-114.4113.1-179.7-490000110.4C626 K642C626-T638 WeakPolarHBondContact CA-O 3.5Å; C626-T638 WeakPolarHBondContact CB-O 3.26Å; C626-T638 PolarHBondContact O-N 3.23Å; C626-T638 PolarHBondContact SG-O 3Å; T638-K642 CarbonylContact C-O 3.42Å; T638-K642 WeakPolarHBondContact CA-O 3.45Å
639V79.8Confident76.8Confident35 Ų3556 Ų5621%0.21231%0.312CS..EExtended strand (participates in β ladder)trans-125.6130.1177.6-177.40000108.4F622 C626 V637 G641 K642 L665F622-V639 HydrophobicContact CB-CG2 4.03Å; F622-V639 HydrophobicContact CD1-CG2 3.72Å; F622-V639 HydrophobicContact CE1-CG2 4.49Å; F622-V639 HydrophobicContact CG-CG2 4.08Å; C626-V639 HydrophobicContact CB-CG2 4.24Å; V637-V639 HydrophobicContact CG1-CG2 4.15Å; V639-G641 PolarHBondContact O-N 3.32Å; V639-G641 VanDerWaalsContact O-N 3.11Å; V639-K642 PolarHBondContact N-O 3.16Å; V639-K642 PolarHBondContact O-N 3.18Å; V639-L665 HydrophobicContact CG2-CD1 4.28Å
640D74.1Confident76.8Confident161 Ų16156.5 Ų56.586%0.86132%0.316SS*.THydrogen-bonded Turntrans5037.8179.7-64-31.2000114.5
641G70.5Confident77.4Confident72 Ų7255.2 Ų55.274%0.74231%0.308SS*.THydrogen-bonded Turntrans80.79.717900000115.3V639V639-G641 PolarHBondContact O-N 3.32Å; V639-G641 VanDerWaalsContact O-N 3.11Å
642K77.8Confident78Confident82 Ų8253.1 Ų53.136%0.35730%0.299SS..EExtended strand (participates in β ladder)trans-112.6132.1178.2-56.5-178.1-172.7-176.70110.9T638 V639 D662 L665T638-K642 CarbonylContact C-O 3.42Å; T638-K642 WeakPolarHBondContact CA-O 3.45Å; V639-K642 PolarHBondContact N-O 3.16Å; V639-K642 PolarHBondContact O-N 3.18Å; K642-D662 HydrophobicContact CD-CB 4.27Å; K642-D662 WeakPolarHBondContact CD-OD2 3.34Å; K642-D662 WeakPolarHBondContact CE-OD2 3.35Å; K642-D662 IonicContact NZ-OD2 3.41Å; K642-D662 PolarHBondContact NZ-OD2 3.46Å; K642-L665 HydrophobicContact CB-CD2 4.38Å
643T80.1Confident78.9Confident20 Ų2046 Ų4612%0.12326%0.262CS..EExtended strand (participates in β ladder)trans-112.7124.5-173-46.90000111.8V637 E656V637-T643 CarbonylContact O-C 3.59Å; V637-T643 WeakPolarHBondContact O-CA 3.5Å; T643-E656 PolarHBondContact O-N 2.89Å
644A82.9Confident79.4Confident0 Ų050.6 Ų50.60%028%0.278CS..EExtended strand (participates in β ladder)trans-109.9121.2169.700000109.8S636 V637 V653 L665S636-A644 CarbonylContact C-O 3.52Å; S636-A644 WeakPolarHBondContact CA-O 3.43Å; V637-A644 PolarHBondContact N-O 2.85Å; V637-A644 PolarHBondContact O-N 2.86Å; A644-V653 HydrophobicContact CB-CG1 3.77Å; A644-L665 HydrophobicContact CB-CD2 4.32Å; A644-L665 HydrophobicContact CB-CG 4.35Å
645N83.7Confident79.2Confident31 Ų3150.4 Ų50.417%0.16628%0.28CS..EExtended strand (participates in β ladder)trans-100.2113.8179.5-58.2-66.2000109.5K630 I634 S636 V653 E654K630-N645 PolarHBondContact NZ-OD1 2.87Å; I634-N645 HydrophobicContact CG2-CB 4.15Å; S636-N645 VanDerWaalsContact CB-OD1 3.26Å; S636-N645 WeakPolarHBondContact CB-OD1 3.43Å; N645-V653 WeakPolarHBondContact O-CA 3.23Å; N645-E654 PolarHBondContact N-O 3.12Å; N645-E654 PolarHBondContact O-N 3.2Å
646L82.6Confident78.6Confident1 Ų154.8 Ų54.81%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-94.7123.5176.717368.7000110.2L614 I634 L635 L648 V653 V669 A673L614-L646 HydrophobicContact CD2-CD2 3.43Å; L614-L646 VanDerWaalsContact CD2-CD2 3.43Å; L614-L646 HydrophobicContact CG-CD2 4.3Å; I634-L646 WeakPolarHBondContact CA-O 3.34Å; L635-L646 PolarHBondContact N-O 2.91Å; L635-L646 WeakPolarHBondContact O-CB 3.28Å; L635-L646 PolarHBondContact O-N 2.77Å; L646-L648 HydrophobicContact CD2-CD2 4.38Å; L646-V653 HydrophobicContact CB-CG2 4.19Å; L646-V653 HydrophobicContact CD1-CG2 3.52Å; L646-V653 HydrophobicContact CG-CG2 4.43Å; L646-V669 HydrophobicContact CB-CG1 4.19Å; L646-V669 HydrophobicContact CD2-CG1 4.36Å; L646-A673 HydrophobicContact CD1-CB 3.94Å; L646-A673 HydrophobicContact CD2-CB 3.7Å
647N79.9Confident77.3Confident46 Ų4664.6 Ų64.625%0.24635%0.347CS..EExtended strand (participates in β ladder)trans-84.1120.7168.6-177.5-41.6000109.9E649 T650 R651 T652N647-E649 VanDerWaalsContact C-N 3.29Å; N647-E649 PolarHBondContact O-N 3.37Å; N647-E649 PolarHBondContact OD1-N 3.11Å; N647-T650 VanDerWaalsContact CB-OG1 3.27Å; N647-T650 WeakPolarHBondContact CB-OG1 3.37Å; N647-T650 PolarHBondContact OD1-N 3.38Å; N647-T650 VanDerWaalsContact OD1-N 3.17Å; N647-T650 PolarHBondContact OD1-OG1 3.43Å; N647-R651 WeakPolarHBondContact O-CA 3.42Å; N647-R651 PolarHBondContact O-N 2.86Å; N647-T652 PolarHBondContact N-O 3.06Å
648L76Confident76Confident7 Ų768.6 Ų68.64%0.03739%0.387CS..THydrogen-bonded Turntrans-70.5-21.7-174.5-65.2172.1000113.6S611 L614 S633 L635 L646S611-L648 WeakPolarHBondContact OG-CD1 3.45Å; L614-L648 HydrophobicContact CD2-CD2 3.66Å; S633-L648 WeakPolarHBondContact O-CB 3.47Å; S633-L648 WeakPolarHBondContact O-CG 3.35Å; S633-L648 PolarHBondContact O-N 2.88Å; L635-L648 HydrophobicContact CB-CD2 4.37Å; L635-L648 HydrophobicContact CD1-CD2 4.47Å; L646-L648 HydrophobicContact CD2-CD2 4.38Å
649E72.2Confident74.7Confident143 Ų14368 Ų6867%0.66839%0.385SS*.THydrogen-bonded Turntrans-87.6-48179.2-64.5-171.5163.600112.1N647N647-E649 VanDerWaalsContact C-N 3.29Å; N647-E649 PolarHBondContact O-N 3.37Å; N647-E649 PolarHBondContact OD1-N 3.11Å
650T75.9Confident73.4Confident73 Ų7375.4 Ų75.445%0.44842%0.418SS..THydrogen-bonded Turntrans-85.7-20.3-177.959.40000112.5N647 T652N647-T650 VanDerWaalsContact CB-OG1 3.27Å; N647-T650 WeakPolarHBondContact CB-OG1 3.37Å; N647-T650 PolarHBondContact OD1-N 3.38Å; N647-T650 VanDerWaalsContact OD1-N 3.17Å; N647-T650 PolarHBondContact OD1-OG1 3.43Å; T650-T652 PolarHBondContact O-N 2.86Å; T650-T652 PolarHBondContact OG1-OG1 2.97Å
651R78.3Confident72.3Confident74 Ų7475.1 Ų75.128%0.27942%0.416SS..  trans62.415-173.4-57.5162.6-70172.80.1113.9N647 Y677N647-R651 WeakPolarHBondContact O-CA 3.42Å; N647-R651 PolarHBondContact O-N 2.86Å; R651-Y677 VanDerWaalsContact NH1-CD1 3.33Å
652T77.2Confident71.8Confident62 Ų6273.6 Ų73.638%0.3839%0.391SS..  trans-84.5140.3176.554.10000109.7N647 T650N647-T652 PolarHBondContact N-O 3.06Å; T650-T652 PolarHBondContact O-N 2.86Å; T650-T652 PolarHBondContact OG1-OG1 2.97Å
653V83Confident71.2Confident11 Ų1175.3 Ų75.37%0.06740%0.4CS..EExtended strand (participates in β ladder)trans-109124.3177.3-1770000109.5A644 N645 L646 R666 V669 E670A644-V653 HydrophobicContact CB-CG1 3.77Å; N645-V653 WeakPolarHBondContact O-CA 3.23Å; L646-V653 HydrophobicContact CB-CG2 4.19Å; L646-V653 HydrophobicContact CD1-CG2 3.52Å; L646-V653 HydrophobicContact CG-CG2 4.43Å; V653-R666 HydrophobicContact CB-CG 3.87Å; V653-R666 HydrophobicContact CG1-CG 3.86Å; V653-V669 HydrophobicContact CG1-CG1 4.44Å; V653-V669 HydrophobicContact CG2-CB 4.29Å; V653-V669 HydrophobicContact CG2-CG1 3.91Å; V653-E670 HydrophobicContact CB-CB 4.47Å; V653-E670 HydrophobicContact CG2-CB 3.8Å; V653-E670 HydrophobicContact CG2-CG 4.43Å
654E79.8Confident70.9Confident142 Ų14277.3 Ų77.366%0.66442%0.415SS*.EExtended strand (participates in β ladder)trans-112.8127.4175.5-68-178.6179.600110.1N645N645-E654 PolarHBondContact N-O 3.12Å; N645-E654 PolarHBondContact O-N 3.2Å
655C77.1Confident70.7Confident47 Ų4777.9 Ų77.932%0.31842%0.418SS..EExtended strand (participates in β ladder)trans-88.7145.2173.3-63.30000109.9
656E71.3Confident70.6Confident93 Ų9380.3 Ų80.344%0.43543%0.425SS..PPolyproline II helixtrans-64.4142.7178.2-74.8178.1176.200112K630 T643 G658 S659K630-E656 IonicContact NZ-OE1 3.11Å; K630-E656 PolarHBondContact NZ-OE1 3.13Å; K630-E656 VanDerWaalsContact NZ-OE1 3.17Å; T643-E656 PolarHBondContact O-N 2.89Å; E656-G658 PolarHBondContact O-N 3.26Å; E656-S659 PolarHBondContact O-N 3.2Å; E656-S659 PolarHBondContact O-OG 3.15Å
657E53.9Low70.5Confident209 Ų20985.5 Ų85.598%0.97745%0.449SS*.THydrogen-bonded Turntrans-56.3122.4-176.5-74-175.3159.500111.5
658G58.1Low70.6Confident83 Ų8387.9 Ų87.986%0.85646%0.459SS*.THydrogen-bonded Turntrans113.73.2-176.400000115.3E656E656-G658 PolarHBondContact O-N 3.26Å
659S55.6Low70.9Confident35 Ų3587.5 Ų87.525%0.24546%0.458CS..  trans-116.748.1179.460.30000113.3E656 D661E656-S659 PolarHBondContact O-N 3.2Å; E656-S659 PolarHBondContact O-OG 3.15Å; S659-D661 PolarHBondContact O-N 2.93Å; S659-D661 VanDerWaalsContact O-N 3.13Å
660E52.3Low71.5Confident192 Ų19284.3 Ų84.390%0.89744%0.443SS*.THydrogen-bonded Turntrans-64.9-11.7-178.1-70.1-175.5158.900114.7
661D50.6Low71.8Confident155 Ų15585.1 Ų85.183%0.82944%0.444SS*.THydrogen-bonded Turntrans-9718.4-175.4-86.3-24.8000115.4S659S659-D661 PolarHBondContact O-N 2.93Å; S659-D661 VanDerWaalsContact O-N 3.13Å
662D58.7Low72Confident40 Ų4082.2 Ų82.221%0.21444%0.436CS..  trans-139.957-179.9-116.5-27.1000115.7K642 S664 L665 R666K642-D662 HydrophobicContact CD-CB 4.27Å; K642-D662 WeakPolarHBondContact CD-OD2 3.34Å; K642-D662 WeakPolarHBondContact CE-OD2 3.35Å; K642-D662 IonicContact NZ-OD2 3.41Å; K642-D662 PolarHBondContact NZ-OD2 3.46Å; D662-S664 PolarHBondContact O-N 3.27Å; D662-S664 VanDerWaalsContact O-N 3.07Å; D662-S664 PolarHBondContact OD1-OG 2.88Å; D662-L665 PolarHBondContact O-N 3.12Å; D662-R666 PolarHBondContact O-N 3.07Å
663E65.8Low72.3Confident118 Ų11879.3 Ų79.355%0.55142%0.418SS*.Hα-helixtrans-50.1-27.6160.6-80.7-164.2134.500111.9R666 E667E663-R666 PolarHBondContact O-N 2.81Å; E663-R666 IonicContact OE1-NH2 3.2Å; E663-R666 PolarHBondContact OE1-NH2 3.04Å; E663-E667 VanDerWaalsContact O-CB 3.27Å; E663-E667 WeakPolarHBondContact O-CB 3.42Å; E663-E667 VanDerWaalsContact O-CG 3.26Å; E663-E667 WeakPolarHBondContact O-CG 3.47Å; E663-E667 PolarHBondContact O-N 3.06Å
664S73.9Confident72.1Confident61 Ų6181.9 Ų81.943%0.42743%0.429SS..Hα-helixtrans-64.2-44.8-176.886.40000113.5D662 M668D662-S664 PolarHBondContact O-N 3.27Å; D662-S664 VanDerWaalsContact O-N 3.07Å; D662-S664 PolarHBondContact OD1-OG 2.88Å; S664-M668 WeakPolarHBondContact O-CB 3.48Å; S664-M668 WeakPolarHBondContact O-CE 3.38Å; S664-M668 VanDerWaalsContact O-CG 3.31Å; S664-M668 WeakPolarHBondContact O-CG 3.45Å; S664-M668 PolarHBondContact O-N 3.14Å
665L79.6Confident72.2Confident12 Ų1282.9 Ų82.96%0.06343%0.427CS..Hα-helixtrans-71.6-41.3178.1-177.765000110.9F622 V639 K642 A644 D662 M668 V669F622-L665 HydrophobicContact CD1-CD1 4.48Å; F622-L665 HydrophobicContact CE1-CD1 3.81Å; F622-L665 HydrophobicContact CZ-CD1 4.08Å; V639-L665 HydrophobicContact CG2-CD1 4.28Å; K642-L665 HydrophobicContact CB-CD2 4.38Å; A644-L665 HydrophobicContact CB-CD2 4.32Å; A644-L665 HydrophobicContact CB-CG 4.35Å; D662-L665 PolarHBondContact O-N 3.12Å; L665-M668 PolarHBondContact O-N 3.48Å; L665-V669 HydrophobicContact CD1-CG2 4.3Å; L665-V669 WeakPolarHBondContact O-CG2 3.46Å; L665-V669 PolarHBondContact O-N 3.01Å
666R81.7Confident72.4Confident83 Ų8381.8 Ų81.831%0.31342%0.418SS..Hα-helixtrans-57.8-52.6175.6-170.2-173.871.9-165.5-8.1110.8V653 D662 E663 M668 V669 E670V653-R666 HydrophobicContact CB-CG 3.87Å; V653-R666 HydrophobicContact CG1-CG 3.86Å; D662-R666 PolarHBondContact O-N 3.07Å; E663-R666 PolarHBondContact O-N 2.81Å; E663-R666 IonicContact OE1-NH2 3.2Å; E663-R666 PolarHBondContact OE1-NH2 3.04Å; R666-M668 VanDerWaalsContact C-N 3.35Å; R666-M668 PolarHBondContact O-N 3.19Å; R666-V669 PolarHBondContact O-N 3.05Å; R666-E670 WeakPolarHBondContact O-CB 3.24Å; R666-E670 PolarHBondContact O-N 3.06Å
667E79.9Confident72.7Confident109 Ų10980.4 Ų80.451%0.50941%0.409SS..Hα-helixtrans-62.2-40179.6-77-177.117300112.1E663 L671E663-E667 VanDerWaalsContact O-CB 3.27Å; E663-E667 WeakPolarHBondContact O-CB 3.42Å; E663-E667 VanDerWaalsContact O-CG 3.26Å; E663-E667 WeakPolarHBondContact O-CG 3.47Å; E663-E667 PolarHBondContact O-N 3.06Å; E667-L671 WeakPolarHBondContact O-CB 3.47Å; E667-L671 PolarHBondContact O-N 2.98Å
668M81.4Confident73.7Confident96 Ų9675.1 Ų75.147%0.47338%0.384SS..Hα-helixtrans-64.8-45.2177.6-80-169.4-72.100112.4F622 S664 L665 R666 A672F622-M668 HydrophobicContact CZ-CB 4.28Å; S664-M668 WeakPolarHBondContact O-CB 3.48Å; S664-M668 WeakPolarHBondContact O-CE 3.38Å; S664-M668 VanDerWaalsContact O-CG 3.31Å; S664-M668 WeakPolarHBondContact O-CG 3.45Å; S664-M668 PolarHBondContact O-N 3.14Å; L665-M668 PolarHBondContact O-N 3.48Å; R666-M668 VanDerWaalsContact C-N 3.35Å; R666-M668 PolarHBondContact O-N 3.19Å; M668-A672 WeakPolarHBondContact O-CB 3.43Å; M668-A672 PolarHBondContact O-N 3.32Å
669V83.1Confident74.4Confident0 Ų075 Ų750%038%0.375CS..Hα-helixtrans-68-41.9178.9176.10000110.7L618 F622 V637 L646 V653 L665 R666 A672 A673L618-V669 HydrophobicContact CD2-CG1 4.47Å; F622-V669 HydrophobicContact CE2-CG2 4.02Å; F622-V669 HydrophobicContact CZ-CG2 4.13Å; V637-V669 HydrophobicContact CB-CG2 4.24Å; V637-V669 HydrophobicContact CG1-CG2 4.33Å; V637-V669 HydrophobicContact CG2-CG1 4.35Å; V637-V669 HydrophobicContact CG2-CG2 4.22Å; L646-V669 HydrophobicContact CB-CG1 4.19Å; L646-V669 HydrophobicContact CD2-CG1 4.36Å; V653-V669 HydrophobicContact CG1-CG1 4.44Å; V653-V669 HydrophobicContact CG2-CB 4.29Å; V653-V669 HydrophobicContact CG2-CG1 3.91Å; L665-V669 HydrophobicContact CD1-CG2 4.3Å; L665-V669 WeakPolarHBondContact O-CG2 3.46Å; L665-V669 PolarHBondContact O-N 3.01Å; R666-V669 PolarHBondContact O-N 3.05Å; V669-A672 PolarHBondContact O-N 2.96Å; V669-A673 WeakPolarHBondContact O-CB 3.24Å; V669-A673 PolarHBondContact O-N 3.2Å
670E83.6Confident75.1Confident75 Ų7575.1 Ų75.135%0.3537%0.373SS..Hα-helixtrans-65.1-46.4177.9-171.3169.5-162.900111.5V653 R666 A672 A673 Q674V653-E670 HydrophobicContact CB-CB 4.47Å; V653-E670 HydrophobicContact CG2-CB 3.8Å; V653-E670 HydrophobicContact CG2-CG 4.43Å; R666-E670 WeakPolarHBondContact O-CB 3.24Å; R666-E670 PolarHBondContact O-N 3.06Å; E670-A672 VanDerWaalsContact C-N 3.35Å; E670-A672 PolarHBondContact O-N 2.94Å; E670-A673 PolarHBondContact O-N 2.69Å; E670-Q674 VanDerWaalsContact O-CB 3.28Å; E670-Q674 WeakPolarHBondContact O-CB 3.45Å; E670-Q674 PolarHBondContact O-N 2.72Å
671L82.4Confident75.6Confident90 Ų9068 Ų6847%0.47134%0.343SS..Hα-helixtrans-64.4-39177.5-174.767000111.9E667 R675E667-L671 WeakPolarHBondContact O-CB 3.47Å; E667-L671 PolarHBondContact O-N 2.98Å; L671-R675 HydrophobicContact CD1-CG 4.44Å; L671-R675 VanDerWaalsContact O-CB 3.31Å; L671-R675 WeakPolarHBondContact O-CB 3.49Å; L671-R675 VanDerWaalsContact O-CG 3.26Å; L671-R675 WeakPolarHBondContact O-CG 3.18Å; L671-R675 PolarHBondContact O-N 2.87Å
672A82.9Confident75.6Confident14 Ų1465.2 Ų65.212%0.11633%0.333CS..Hα-helixtrans-63.9-48.3175.500000111.1M617 L618 I621 M668 V669 E670 Q674 R675 L676M617-A672 HydrophobicContact CE-CB 3.62Å; M617-A672 VanDerWaalsContact CE-O 3.32Å; M617-A672 WeakPolarHBondContact CE-O 3.31Å; L618-A672 HydrophobicContact CD2-CB 4.16Å; I621-A672 HydrophobicContact CD1-CB 4.42Å; M668-A672 WeakPolarHBondContact O-CB 3.43Å; M668-A672 PolarHBondContact O-N 3.32Å; V669-A672 PolarHBondContact O-N 2.96Å; E670-A672 VanDerWaalsContact C-N 3.35Å; E670-A672 PolarHBondContact O-N 2.94Å; A672-Q674 PolarHBondContact O-N 3.47Å; A672-R675 PolarHBondContact O-N 2.96Å; A672-L676 WeakPolarHBondContact O-CB 3.47Å; A672-L676 PolarHBondContact O-N 2.92Å
673A82.9Confident74.9Confident0 Ų069.2 Ų69.20%036%0.358CS..Hα-helixtrans-60-44.9177.200000112.2Y610 L614 L646 V669 E670 Y677Y610-A673 PolarHBondContact OH-O 2.68Å; L614-A673 HydrophobicContact CD1-CB 4.16Å; L614-A673 HydrophobicContact CD2-CB 4.1Å; L646-A673 HydrophobicContact CD1-CB 3.94Å; L646-A673 HydrophobicContact CD2-CB 3.7Å; V669-A673 WeakPolarHBondContact O-CB 3.24Å; V669-A673 PolarHBondContact O-N 3.2Å; E670-A673 PolarHBondContact O-N 2.69Å; A673-Y677 WeakPolarHBondContact O-CB 3.47Å; A673-Y677 PolarHBondContact O-N 3.43Å
674Q80.2Confident73.7Confident65 Ų6571.8 Ų71.830%0.30437%0.37SS..Hα-helixtrans-64.4-47.9178.4-175.467.617.200111.8E670 A672 L676 Y677 E678E670-Q674 VanDerWaalsContact O-CB 3.28Å; E670-Q674 WeakPolarHBondContact O-CB 3.45Å; E670-Q674 PolarHBondContact O-N 2.72Å; A672-Q674 PolarHBondContact O-N 3.47Å; Q674-L676 PolarHBondContact O-N 3.36Å; Q674-Y677 WeakPolarHBondContact O-CB 3.44Å; Q674-Y677 PolarHBondContact O-N 3.36Å; Q674-E678 PolarHBondContact NE2-OE1 2.92Å; Q674-E678 WeakPolarHBondContact O-CG 3.48Å; Q674-E678 PolarHBondContact O-N 3.12Å
675R80.8Confident73.7Confident163 Ų16372.3 Ų72.362%0.61537%0.367SS*.Hα-helixtrans-62.5-41.2178.9-78.6180175.9-1772112.6L671 A672 Y677 E678 A679L671-R675 HydrophobicContact CD1-CG 4.44Å; L671-R675 VanDerWaalsContact O-CB 3.31Å; L671-R675 WeakPolarHBondContact O-CB 3.49Å; L671-R675 VanDerWaalsContact O-CG 3.26Å; L671-R675 WeakPolarHBondContact O-CG 3.18Å; L671-R675 PolarHBondContact O-N 2.87Å; A672-R675 PolarHBondContact O-N 2.96Å; R675-Y677 VanDerWaalsContact C-N 3.32Å; R675-E678 PolarHBondContact O-N 3.35Å; R675-A679 WeakPolarHBondContact O-CB 3.47Å; R675-A679 PolarHBondContact O-N 2.99Å
676L82.1Confident73.4Confident24 Ų2475.5 Ų75.513%0.12638%0.383CS..Hα-helixtrans-67.3-38.3177.2-17665.3000111.1Y610 R613 L614 M617 A672 Q674 A679 L680Y610-L676 HydrophobicContact CE2-CB 4.36Å; Y610-L676 HydrophobicContact CE2-CD2 4.32Å; Y610-L676 HydrophobicContact CE2-CG 4.24Å; R613-L676 HydrophobicContact CB-CD2 4.09Å; L614-L676 HydrophobicContact CB-CD2 3.67Å; L614-L676 HydrophobicContact CD1-CB 4.45Å; L614-L676 HydrophobicContact CD1-CD2 3.75Å; L614-L676 HydrophobicContact CG-CD2 4.3Å; M617-L676 HydrophobicContact CE-CB 3.97Å; M617-L676 HydrophobicContact CE-CD2 4.29Å; M617-L676 HydrophobicContact SD-CB 4.16Å; M617-L676 HydrophobicContact SD-CD1 4.26Å; M617-L676 HydrophobicContact SD-CD2 4.37Å; M617-L676 HydrophobicContact SD-CG 4.49Å; A672-L676 WeakPolarHBondContact O-CB 3.47Å; A672-L676 PolarHBondContact O-N 2.92Å; Q674-L676 PolarHBondContact O-N 3.36Å; L676-A679 PolarHBondContact O-N 3.19Å; L676-L680 HydrophobicContact CD1-CD1 3.86Å; L676-L680 HydrophobicContact CD1-CG 4.19Å; L676-L680 HydrophobicContact CD2-CD1 4.35Å; L676-L680 HydrophobicContact CG-CD1 3.77Å; L676-L680 HydrophobicContact CG-CG 4.43Å; L676-L680 WeakPolarHBondContact O-CB 3.32Å; L676-L680 VanDerWaalsContact O-CG 3.3Å; L676-L680 WeakPolarHBondContact O-CG 3.41Å; L676-L680 PolarHBondContact O-N 3.27Å
677Y77.4Confident72.9Confident65 Ų6575.1 Ų75.126%0.25539%0.387SS..Hα-helixtrans-62.7-47.4175.5-170.6-91.1000110.6L605 Y610 R651 A673 Q674 R675 A679 L680 T681L605-Y677 HydrophobicContact CD2-CD2 3.93Å; L605-Y677 HydrophobicContact CD2-CE2 3.61Å; Y610-Y677 HydrophobicContact CD2-CD2 4.17Å; Y610-Y677 HydrophobicContact CE1-CD2 4.2Å; Y610-Y677 AromaticContact CE2-CD2 3.86Å; Y610-Y677 HydrophobicContact CE2-CD2 3.86Å; Y610-Y677 HydrophobicContact CE2-CG 4.28Å; Y610-Y677 HydrophobicContact CG-CD2 4.5Å; Y610-Y677 AromaticContact CZ-CD2 3.87Å; R651-Y677 VanDerWaalsContact NH1-CD1 3.33Å; A673-Y677 WeakPolarHBondContact O-CB 3.47Å; A673-Y677 PolarHBondContact O-N 3.43Å; Q674-Y677 WeakPolarHBondContact O-CB 3.44Å; Q674-Y677 PolarHBondContact O-N 3.36Å; R675-Y677 VanDerWaalsContact C-N 3.32Å; Y677-A679 VanDerWaalsContact C-N 3.31Å; Y677-A679 PolarHBondContact O-N 2.87Å; Y677-L680 PolarHBondContact O-N 3.24Å; Y677-T681 HydrophobicContact CE1-CG2 4.3Å; Y677-T681 WeakPolarHBondContact CE1-OG1 3.39Å; Y677-T681 WeakPolarHBondContact O-CB 3.49Å; Y677-T681 PolarHBondContact O-N 3.32Å; Y677-T681 PolarHBondContact O-OG1 3.41Å
678E73.9Confident72.5Confident97 Ų9773.1 Ų73.145%0.45338%0.38SS..Hα-helixtrans-62.4-35.5176-71.8172-173.600112.9Q674 R675 T681Q674-E678 PolarHBondContact NE2-OE1 2.92Å; Q674-E678 WeakPolarHBondContact O-CG 3.48Å; Q674-E678 PolarHBondContact O-N 3.12Å; R675-E678 PolarHBondContact O-N 3.35Å; E678-T681 CarbonylContact O-C 3.6Å
679A73.4Confident72Confident80 Ų8071.6 Ų71.666%0.66137%0.374SS*.Hα-helixtrans-70.8-33.8176.300000113R675 L676 Y677R675-A679 WeakPolarHBondContact O-CB 3.47Å; R675-A679 PolarHBondContact O-N 2.99Å; L676-A679 PolarHBondContact O-N 3.19Å; Y677-A679 VanDerWaalsContact C-N 3.31Å; Y677-A679 PolarHBondContact O-N 2.87Å
680L70.6Confident71.2Confident38 Ų3876.4 Ų76.420%0.19940%0.399CS..Hα-helixtrans-89.3-18.6-179.7-67.3171.3000113.2L605 Y610 R613 L676 Y677 P682L605-L680 HydrophobicContact CD1-CB 3.85Å; Y610-L680 HydrophobicContact CD2-CD1 3.88Å; R613-L680 HydrophobicContact CB-CD1 4.41Å; R613-L680 VanDerWaalsContact NH1-CD2 3.31Å; L676-L680 HydrophobicContact CD1-CD1 3.86Å; L676-L680 HydrophobicContact CD1-CG 4.19Å; L676-L680 HydrophobicContact CD2-CD1 4.35Å; L676-L680 HydrophobicContact CG-CD1 3.77Å; L676-L680 HydrophobicContact CG-CG 4.43Å; L676-L680 WeakPolarHBondContact O-CB 3.32Å; L676-L680 VanDerWaalsContact O-CG 3.3Å; L676-L680 WeakPolarHBondContact O-CG 3.41Å; L676-L680 PolarHBondContact O-N 3.27Å; Y677-L680 PolarHBondContact O-N 3.24Å; L680-P682 WeakPolarHBondContact O-CD 3.3Å
681T62.5Low70.3Confident43 Ų4376.5 Ų76.526%0.26440%0.403SS..SBendtrans-110.993.6178.3-31.50000107.8Y677 E678 V683Y677-T681 HydrophobicContact CE1-CG2 4.3Å; Y677-T681 WeakPolarHBondContact CE1-OG1 3.39Å; Y677-T681 WeakPolarHBondContact O-CB 3.49Å; Y677-T681 PolarHBondContact O-N 3.32Å; Y677-T681 PolarHBondContact O-OG1 3.41Å; E678-T681 CarbonylContact O-C 3.6Å; T681-V683 PolarHBondContact O-N 3.47Å
682P50.7Low69.4Low97 Ų9775.5 Ų75.563%0.6340%0.397SS*.  trans-61.4113.6-175.622.1-30.7000110.4L680 H684L680-P682 WeakPolarHBondContact O-CD 3.3Å; P682-H684 PolarHBondContact O-N 2.79Å
683V43.8Very low68.3Low123 Ų12380.6 Ų80.675%0.74542%0.421SS*.  trans-67114.1171.5-176.40000108.1T681T681-V683 PolarHBondContact O-N 3.47Å
684H40.8Very low66.9Low172 Ų17287.9 Ų87.980%0.79646%0.459SS*.  trans-1390174.9-78-27.8000114.3Y528 P682Y528-H684 PolarHBondContact OH-O 2.98Å; P682-H684 PolarHBondContact O-N 2.79Å

Retrieved 684 of 684 residues in 1325.3 ms (Link to these results)

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