A0A077ZF38_TRITR Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A077ZF38, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 412 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
1M56.5Low80.1Confident162 Ų16285.2 Ų85.280%0.79846%0.464SS*.  0130.10-165.9-179.6-77.300109.1Y23 L250M1-Y23 WeakPolarHBondContact CB-OH 2.92Å; M1-Y23 VanDerWaalsContact CG-OH 3.29Å; M1-Y23 WeakPolarHBondContact CG-OH 3.1Å; M1-Y23 PolarHBondContact SD-OH 2.92Å; M1-L250 HydrophobicContact CE-CD1 4.37Å; M1-L250 HydrophobicContact CE-CG 4.24Å
2Y69.6Low80.5Confident132 Ų13281.5 Ų81.552%0.51844%0.441SS..  trans-123.8142.6172.9-66.7-74.6000108.1R13Y2-R13 HydrophobicContact CD1-CG 3.79Å; Y2-R13 VanDerWaalsContact CE1-CZ 3.49Å; Y2-R13 HydrophobicContact CG-CG 3.83Å; Y2-R13 PolarHBondContact OH-NH2 3.15Å
3K79Confident80.9Confident59 Ų5986 Ų8626%0.25745%0.447SS..EExtended strand (participates in β ladder)trans-106.3124.7170.1-170169-175.8177.70108.7M14 Y23 E196K3-M14 HydrophobicContact CB-CE 3.78Å; K3-M14 HydrophobicContact CD-CE 3.66Å; K3-M14 HydrophobicContact CG-CE 3.67Å; K3-M14 WeakPolarHBondContact O-CB 3.48Å; K3-M14 PolarHBondContact O-N 2.73Å; K3-Y23 HydrophobicContact CB-CD1 4.29Å; K3-Y23 HydrophobicContact CB-CE1 4.4Å; K3-E196 IonicContact NZ-OE1 2.76Å; K3-E196 PolarHBondContact NZ-OE1 2.87Å; K3-E196 IonicContact NZ-OE2 3.53Å; K3-E196 PolarHBondContact NZ-OE2 3.47Å
4T83.1Confident81.5Confident89 Ų8981.2 Ų81.255%0.54642%0.422SS..EExtended strand (participates in β ladder)trans-97.5138.3175-57.10000108.7F12T4-F12 WeakPolarHBondContact CA-O 3.25Å
5I86Confident82Confident25 Ų2584.3 Ų84.313%0.12843%0.431CS..EExtended strand (participates in β ladder)trans-131.7146.6170.853.3173.9000108.8I7 F12 M14 P26I5-I7 HydrophobicContact CD1-CD1 4.49Å; I5-F12 HydrophobicContact CG1-CB 4.26Å; I5-F12 PolarHBondContact N-O 2.88Å; I5-F12 PolarHBondContact O-N 2.71Å; I5-M14 HydrophobicContact CD1-CE 4.27Å; I5-M14 HydrophobicContact CD1-CG 4.01Å; I5-M14 HydrophobicContact CD1-SD 3.55Å; I5-M14 VanDerWaalsContact CD1-SD 3.55Å; I5-M14 HydrophobicContact CG1-CE 4.49Å; I5-M14 HydrophobicContact CG1-CG 4.06Å; I5-M14 HydrophobicContact CG1-SD 4.13Å; I5-M14 HydrophobicContact CG2-CE 3.92Å; I5-P26 HydrophobicContact CD1-CG 3.42Å; I5-P26 VanDerWaalsContact CD1-CG 3.42Å; I5-P26 HydrophobicContact CG1-CG 4.44Å
6E86.5Confident82.7Confident115 Ų11585.6 Ų85.654%0.53743%0.429SS..EExtended strand (participates in β ladder)trans-102.3139.4179.8-166.1174-176.400109.9G9 I10 G205E6-G9 WeakPolarHBondContact OE1-CA 3.38Å; E6-I10 WeakPolarHBondContact CA-O 3.47Å; E6-G205 CarbonylContact O-C 3.38Å; E6-G205 VanDerWaalsContact O-CA 3.28Å; E6-G205 WeakPolarHBondContact O-CA 3.41Å; E6-G205 VanDerWaalsContact O-O 3.07Å
7I84.6Confident83.3Confident24 Ų2480.6 Ų80.612%0.12340%0.404CS..EExtended strand (participates in β ladder)trans-140.6115.4-179.9-50.8172.5000107.4I5 G9 I10 F12 P26 F151I5-I7 HydrophobicContact CD1-CD1 4.49Å; I7-G9 VanDerWaalsContact C-N 3.26Å; I7-G9 PolarHBondContact O-N 3.25Å; I7-I10 PolarHBondContact N-O 2.89Å; I7-I10 PolarHBondContact O-N 3.42Å; I7-F12 HydrophobicContact CB-CD2 4.05Å; I7-F12 HydrophobicContact CB-CE2 3.99Å; I7-F12 HydrophobicContact CD1-CD2 3.64Å; I7-F12 HydrophobicContact CD1-CE2 3.98Å; I7-F12 HydrophobicContact CD1-CG 4.25Å; I7-F12 HydrophobicContact CG1-CD2 3.9Å; I7-F12 HydrophobicContact CG1-CE2 4.28Å; I7-P26 HydrophobicContact CD1-CB 3.72Å; I7-P26 HydrophobicContact CD1-CG 3.36Å; I7-F151 HydrophobicContact CD1-CE1 3.84Å; I7-F151 HydrophobicContact CD1-CZ 3.88Å; I7-F151 HydrophobicContact CG2-CE1 4.02Å
8N84.6Confident83.9Confident119 Ų11982.3 Ų82.364%0.63642%0.419SS*.THydrogen-bonded Turntrans4945.7-179-62.5-18000112.9I10 P150N8-I10 VanDerWaalsContact C-N 3.32Å; N8-I10 PolarHBondContact O-N 2.98Å; N8-P150 HydrophobicContact CB-CB 4.06Å; N8-P150 PolarHBondContact ND2-O 3.39Å
9G81.5Confident84.2Confident60 Ų6082 Ų8262%0.61942%0.422SS*.THydrogen-bonded Turntrans77.36.3179.900000115.8E6 I7E6-G9 WeakPolarHBondContact OE1-CA 3.38Å; I7-G9 VanDerWaalsContact C-N 3.26Å; I7-G9 PolarHBondContact O-N 3.25Å
10I84.3Confident84.6Confident63 Ų6379.8 Ų79.832%0.32341%0.413SS..EExtended strand (participates in β ladder)trans-114.5125.5179.2-58.2-172.3000109.9E6 I7 N8 F12 P150E6-I10 WeakPolarHBondContact CA-O 3.47Å; I7-I10 PolarHBondContact N-O 2.89Å; I7-I10 PolarHBondContact O-N 3.42Å; N8-I10 VanDerWaalsContact C-N 3.32Å; N8-I10 PolarHBondContact O-N 2.98Å; I10-F12 HydrophobicContact CB-CE2 3.99Å; I10-F12 HydrophobicContact CG2-CD2 4.31Å; I10-F12 HydrophobicContact CG2-CE2 3.75Å; I10-F12 HydrophobicContact CG2-CZ 4.08Å; I10-F12 VanDerWaalsContact O-CD2 3.3Å; I10-F12 WeakPolarHBondContact O-CD2 3.41Å; I10-P150 HydrophobicContact CB-CG 4.43Å; I10-P150 HydrophobicContact CD1-CB 4Å; I10-P150 HydrophobicContact CD1-CG 3.97Å; I10-P150 HydrophobicContact CG1-CB 4.43Å
11S85Confident85Confident89 Ų8982.3 Ų82.362%0.62242%0.423SS*.EExtended strand (participates in β ladder)trans-83.6125.3178.7570000112.2
12F85.1Confident86.5Confident41 Ų4177.9 Ų77.918%0.1840%0.402CS..EExtended strand (participates in β ladder)trans-112119.3-179.8-75.2-88.2000111T4 I5 I7 I10 M14 F144 P150 F151T4-F12 WeakPolarHBondContact CA-O 3.25Å; I5-F12 HydrophobicContact CG1-CB 4.26Å; I5-F12 PolarHBondContact N-O 2.88Å; I5-F12 PolarHBondContact O-N 2.71Å; I7-F12 HydrophobicContact CB-CD2 4.05Å; I7-F12 HydrophobicContact CB-CE2 3.99Å; I7-F12 HydrophobicContact CD1-CD2 3.64Å; I7-F12 HydrophobicContact CD1-CE2 3.98Å; I7-F12 HydrophobicContact CD1-CG 4.25Å; I7-F12 HydrophobicContact CG1-CD2 3.9Å; I7-F12 HydrophobicContact CG1-CE2 4.28Å; I10-F12 HydrophobicContact CB-CE2 3.99Å; I10-F12 HydrophobicContact CG2-CD2 4.31Å; I10-F12 HydrophobicContact CG2-CE2 3.75Å; I10-F12 HydrophobicContact CG2-CZ 4.08Å; I10-F12 VanDerWaalsContact O-CD2 3.3Å; I10-F12 WeakPolarHBondContact O-CD2 3.41Å; F12-M14 PolarHBondContact O-N 3.1Å; F12-F144 HydrophobicContact CE1-CE1 4.31Å; F12-F144 HydrophobicContact CZ-CE1 4.21Å; F12-P150 HydrophobicContact CE2-CG 3.73Å; F12-P150 HydrophobicContact CZ-CG 3.54Å; F12-F151 HydrophobicContact CE1-CE2 4.06Å; F12-F151 HydrophobicContact CE1-CZ 4.2Å; F12-F151 HydrophobicContact CE2-CE2 4.41Å; F12-F151 HydrophobicContact CE2-CZ 4.1Å; F12-F151 AromaticContact CZ-CE2 3.67Å; F12-F151 HydrophobicContact CZ-CE2 3.67Å; F12-F151 AromaticContact CZ-CZ 3.77Å; F12-F151 HydrophobicContact CZ-CZ 3.77Å
13R85.7Confident87.6Confident140 Ų14074.7 Ų74.753%0.52839%0.389SS..EExtended strand (participates in β ladder)trans-83.8102.8174.9-164.1178.679.21694.7110.8Y2Y2-R13 HydrophobicContact CD1-CG 3.79Å; Y2-R13 VanDerWaalsContact CE1-CZ 3.49Å; Y2-R13 HydrophobicContact CG-CG 3.83Å; Y2-R13 PolarHBondContact OH-NH2 3.15Å
14M90Very high88.2Confident19 Ų1975 Ų759%0.09439%0.389CS..EExtended strand (participates in β ladder)trans-67.3133.2177.5-62.6-163.6-67.500111.1K3 I5 F12 Y23K3-M14 HydrophobicContact CB-CE 3.78Å; K3-M14 HydrophobicContact CD-CE 3.66Å; K3-M14 HydrophobicContact CG-CE 3.67Å; K3-M14 WeakPolarHBondContact O-CB 3.48Å; K3-M14 PolarHBondContact O-N 2.73Å; I5-M14 HydrophobicContact CD1-CE 4.27Å; I5-M14 HydrophobicContact CD1-CG 4.01Å; I5-M14 HydrophobicContact CD1-SD 3.55Å; I5-M14 VanDerWaalsContact CD1-SD 3.55Å; I5-M14 HydrophobicContact CG1-CE 4.49Å; I5-M14 HydrophobicContact CG1-CG 4.06Å; I5-M14 HydrophobicContact CG1-SD 4.13Å; I5-M14 HydrophobicContact CG2-CE 3.92Å; F12-M14 PolarHBondContact O-N 3.1Å; M14-Y23 HydrophobicContact CB-CD1 4.48Å
15K88.9Confident88.6Confident127 Ų12773.2 Ų73.255%0.55238%0.379SS*.PPolyproline II helixtrans-97.6127178.7-66.3-176-179.9-176.80109.9R24K15-R24 WeakPolarHBondContact O-CB 3.28Å; K15-R24 PolarHBondContact O-N 3.21Å; K15-R24 PolarHBondContact O-NE 3.03Å
16W92.6Very high88.8Confident105 Ų10573.4 Ų73.440%0.39838%0.382SS..EExtended strand (participates in β ladder)trans-55140.6166.7-171-108.4000110.8H21 I22 Y23 R24W16-H21 HydrophobicContact CH2-CB 4.44Å; W16-H21 WeakPolarHBondContact CH2-O 3.46Å; W16-H21 VanDerWaalsContact CZ2-C 3.43Å; W16-H21 VanDerWaalsContact CZ2-CA 3.49Å; W16-H21 HydrophobicContact CZ2-CB 3.97Å; W16-I22 CarbonylContact C-O 3.49Å; W16-Y23 HydrophobicContact CB-CD1 4.46Å; W16-Y23 HydrophobicContact CB-CE1 4.32Å; W16-Y23 HydrophobicContact CE3-CD1 4.01Å; W16-Y23 AromaticContact CE3-CD2 3.63Å; W16-Y23 HydrophobicContact CE3-CD2 3.63Å; W16-Y23 HydrophobicContact CE3-CE1 4.02Å; W16-Y23 AromaticContact CE3-CE2 3.65Å; W16-Y23 HydrophobicContact CE3-CE2 3.65Å; W16-Y23 AromaticContact CE3-CG 3.8Å; W16-Y23 HydrophobicContact CE3-CG 3.8Å; W16-Y23 AromaticContact CE3-CZ 3.84Å; W16-Y23 AromaticContact CZ3-CD2 3.65Å; W16-Y23 HydrophobicContact CZ3-CD2 3.65Å; W16-Y23 AromaticContact CZ3-CE2 3.72Å; W16-Y23 HydrophobicContact CZ3-CE2 3.72Å; W16-Y23 HydrophobicContact CZ3-CG 4.23Å; W16-R24 PolarHBondContact O-NH2 3.37Å
17C92.8Very high89.1Confident2 Ų269.7 Ų69.71%0.01436%0.362CS..EExtended strand (participates in β ladder)trans-104.4116.3165.3179.40000107.5C20 H21 I22 R24C17-C20 HydrophobicContact CB-CB 4.31Å; C17-C20 PolarHBondContact SG-N 2.95Å; C17-C20 VanDerWaalsContact SG-N 3.38Å; C17-H21 WeakPolarHBondContact O-CA 3.3Å; C17-H21 PolarHBondContact O-N 3.19Å; C17-I22 HydrophobicContact CB-CG1 4.39Å; C17-I22 PolarHBondContact N-O 2.97Å; C17-R24 HydrophobicContact CB-CG 3.9Å
18V94Very high89.6Confident110 Ų11069.3 Ų69.367%0.66736%0.362SS*.THydrogen-bonded Turntrans-63-47.9178.9-1780000110C20 H21V18-C20 PolarHBondContact O-N 2.83Å; V18-H21 PolarHBondContact O-CD2 3.01Å; V18-H21 PolarHBondContact O-CE1 2.9Å; V18-H21 PolarHBondContact O-N 3.16Å; V18-H21 PolarHBondContact O-NE2 2.76Å
19T91Very high90.1Very high77 Ų7764.9 Ų64.947%0.47234%0.34SS..THydrogen-bonded Turntrans-62.8-43.8-176.9-29.60000114.1D35T19-D35 VanDerWaalsContact CG2-OD1 3.29Å; T19-D35 WeakPolarHBondContact CG2-OD1 3.22Å
20C91.3Very high90.7Very high37 Ų3764 Ų6425%0.2532%0.32CS..THydrogen-bonded Turntrans-94.9-1.8-177-56.10000113.6C17 V18 I22 H30 C37C17-C20 HydrophobicContact CB-CB 4.31Å; C17-C20 PolarHBondContact SG-N 2.95Å; C17-C20 VanDerWaalsContact SG-N 3.38Å; V18-C20 PolarHBondContact O-N 2.83Å; C20-I22 VanDerWaalsContact C-N 3.3Å; C20-I22 HydrophobicContact CB-CG1 4.1Å; C20-I22 PolarHBondContact O-N 3.1Å; C20-H30 PolarHBondContact SG-ND1 2.7Å; C20-C37 HydrophobicContact CB-CB 4.46Å; C20-C37 PolarHBondContact SG-N 3.21Å; C20-C37 VanDerWaalsContact SG-SG 3.6Å
21H92.4Very high91.3Very high133 Ų13361.4 Ų61.462%0.61631%0.307SS*.THydrogen-bonded Turntrans48.843.8-176.5-59.5-88.6000114.8W16 C17 V18W16-H21 HydrophobicContact CH2-CB 4.44Å; W16-H21 WeakPolarHBondContact CH2-O 3.46Å; W16-H21 VanDerWaalsContact CZ2-C 3.43Å; W16-H21 VanDerWaalsContact CZ2-CA 3.49Å; W16-H21 HydrophobicContact CZ2-CB 3.97Å; C17-H21 WeakPolarHBondContact O-CA 3.3Å; C17-H21 PolarHBondContact O-N 3.19Å; V18-H21 PolarHBondContact O-CD2 3.01Å; V18-H21 PolarHBondContact O-CE1 2.9Å; V18-H21 PolarHBondContact O-N 3.16Å; V18-H21 PolarHBondContact O-NE2 2.76Å
22I89.6Confident91.9Very high70 Ų7061.9 Ų61.936%0.35931%0.311SS..EExtended strand (participates in β ladder)trans-132.5151.8176.262.5171.4000112.6W16 C17 C20 R24 C37W16-I22 CarbonylContact C-O 3.49Å; C17-I22 HydrophobicContact CB-CG1 4.39Å; C17-I22 PolarHBondContact N-O 2.97Å; C20-I22 VanDerWaalsContact C-N 3.3Å; C20-I22 HydrophobicContact CB-CG1 4.1Å; C20-I22 PolarHBondContact O-N 3.1Å; I22-R24 PolarHBondContact O-N 3.11Å; I22-C37 HydrophobicContact CD1-CB 3.79Å
23Y91.5Very high92.3Very high65 Ų6565.7 Ų65.726%0.25533%0.332SS..EExtended strand (participates in β ladder)trans-69.9118.2156.6-75.2-75.2000108.5M1 K3 M14 W16 P25M1-Y23 WeakPolarHBondContact CB-OH 2.92Å; M1-Y23 VanDerWaalsContact CG-OH 3.29Å; M1-Y23 WeakPolarHBondContact CG-OH 3.1Å; M1-Y23 PolarHBondContact SD-OH 2.92Å; K3-Y23 HydrophobicContact CB-CD1 4.29Å; K3-Y23 HydrophobicContact CB-CE1 4.4Å; M14-Y23 HydrophobicContact CB-CD1 4.48Å; W16-Y23 HydrophobicContact CB-CD1 4.46Å; W16-Y23 HydrophobicContact CB-CE1 4.32Å; W16-Y23 HydrophobicContact CE3-CD1 4.01Å; W16-Y23 AromaticContact CE3-CD2 3.63Å; W16-Y23 HydrophobicContact CE3-CD2 3.63Å; W16-Y23 HydrophobicContact CE3-CE1 4.02Å; W16-Y23 AromaticContact CE3-CE2 3.65Å; W16-Y23 HydrophobicContact CE3-CE2 3.65Å; W16-Y23 AromaticContact CE3-CG 3.8Å; W16-Y23 HydrophobicContact CE3-CG 3.8Å; W16-Y23 AromaticContact CE3-CZ 3.84Å; W16-Y23 AromaticContact CZ3-CD2 3.65Å; W16-Y23 HydrophobicContact CZ3-CD2 3.65Å; W16-Y23 AromaticContact CZ3-CE2 3.72Å; W16-Y23 HydrophobicContact CZ3-CE2 3.72Å; W16-Y23 HydrophobicContact CZ3-CG 4.23Å; Y23-P25 VanDerWaalsContact O-CD 3.28Å; Y23-P25 WeakPolarHBondContact O-CD 3.21Å
24R91.9Very high92.7Very high66 Ų6660.4 Ų60.425%0.24932%0.316CS..PPolyproline II helixtrans-66.4122.1179.7-75.2176-89.3-164.2-10.8109.7K15 W16 C17 I22 C28K15-R24 WeakPolarHBondContact O-CB 3.28Å; K15-R24 PolarHBondContact O-N 3.21Å; K15-R24 PolarHBondContact O-NE 3.03Å; W16-R24 PolarHBondContact O-NH2 3.37Å; C17-R24 HydrophobicContact CB-CG 3.9Å; I22-R24 PolarHBondContact O-N 3.11Å; R24-C28 HydrophobicContact CB-CB 4.19Å
25P90.7Very high92.9Very high51 Ų5163.7 Ų63.733%0.33133%0.334SS..PPolyproline II helixtrans-57.8167.6173.8-25.835.6000112.5Y23 C28Y23-P25 VanDerWaalsContact O-CD 3.28Å; Y23-P25 WeakPolarHBondContact O-CD 3.21Å; P25-C28 HydrophobicContact CB-CB 4.33Å; P25-C28 WeakPolarHBondContact O-CB 3.17Å; P25-C28 PolarHBondContact O-N 2.82Å; P25-C28 VanDerWaalsContact O-N 3.12Å
26P90.5Very high93Very high29 Ų2963.4 Ų63.419%0.18833%0.334CS..THydrogen-bonded Turntrans-50.6143.6170.2-22.333000110.9I5 I7 C28 F151I5-P26 HydrophobicContact CD1-CG 3.42Å; I5-P26 VanDerWaalsContact CD1-CG 3.42Å; I5-P26 HydrophobicContact CG1-CG 4.44Å; I7-P26 HydrophobicContact CD1-CB 3.72Å; I7-P26 HydrophobicContact CD1-CG 3.36Å; P26-C28 PolarHBondContact O-N 2.94Å; P26-F151 HydrophobicContact CB-CE1 4.3Å; P26-F151 HydrophobicContact CB-CZ 3.89Å
27R93.6Very high93.1Very high36 Ų3659.8 Ų59.814%0.13633%0.325CS..THydrogen-bonded Turntrans61.9-6.2-179.4-38.7-179.175.716610.2115.4N40 F41 G133 E138 F151R27-N40 HydrophobicContact CB-CB 4.48Å; R27-F41 PolarHBondContact O-N 2.86Å; R27-G133 PolarHBondContact NH2-O 3.43Å; R27-E138 WeakPolarHBondContact CB-OE1 3.36Å; R27-E138 VanDerWaalsContact CG-OE1 3.26Å; R27-E138 WeakPolarHBondContact CG-OE1 3.41Å; R27-E138 IonicContact CZ-OE1 3.23Å; R27-E138 IonicContact CZ-OE2 3.65Å; R27-E138 IonicContact NE-OE1 3.49Å; R27-E138 PolarHBondContact NE-OE1 2.99Å; R27-E138 IonicContact NE-OE2 3.74Å; R27-E138 IonicContact NH2-OE1 3.59Å; R27-E138 PolarHBondContact NH2-OE1 3.36Å; R27-E138 IonicContact NH2-OE2 3.51Å; R27-E138 PolarHBondContact NH2-OE2 2.84Å; R27-F151 HydrophobicContact CG-CD2 4.1Å; R27-F151 HydrophobicContact CG-CE1 4.2Å; R27-F151 HydrophobicContact CG-CE2 3.73Å; R27-F151 HydrophobicContact CG-CZ 3.79Å
28C94Very high93.2Very high16 Ų1661.2 Ų61.211%0.10833%0.332CS..  trans-71.4148175.4-177.30000111.4R24 P25 P26 I38R24-C28 HydrophobicContact CB-CB 4.19Å; P25-C28 HydrophobicContact CB-CB 4.33Å; P25-C28 WeakPolarHBondContact O-CB 3.17Å; P25-C28 PolarHBondContact O-N 2.82Å; P25-C28 VanDerWaalsContact O-N 3.12Å; P26-C28 PolarHBondContact O-N 2.94Å; C28-I38 VanDerWaalsContact CA-O 3.28Å; C28-I38 WeakPolarHBondContact CA-O 3.42Å; C28-I38 PolarHBondContact SG-O 3.29Å
29S94.9Very high93.1Very high26 Ų2657.9 Ų57.918%0.18231%0.309CS..EExtended strand (participates in β ladder)trans-145.7146.6168.1-63.20000110.1I38 N137S29-I38 PolarHBondContact N-O 3.28Å; S29-I38 VanDerWaalsContact N-O 3.08Å; S29-I38 PolarHBondContact O-N 3.39Å; S29-N137 PolarHBondContact OG-ND2 2.86Å; S29-N137 VanDerWaalsContact OG-ND2 3.15Å
30H95.9Very high93.3Very high41 Ų4155.5 Ų55.519%0.1929%0.293CS..EExtended strand (participates in β ladder)trans-85.2128173.7175.692.2000107.9C20 D35C20-H30 PolarHBondContact SG-ND1 2.7Å; H30-D35 VanDerWaalsContact CE1-C 3.48Å; H30-D35 IonicContact CE1-OD1 3.69Å; H30-D35 PolarHBondContact CE1-OD1 2.91Å; H30-D35 IonicContact NE2-OD1 3.49Å
31C97Very high93.5Very high9 Ų955 Ų556%0.06129%0.287CS..EExtended strand (participates in β ladder)trans-103.7117.6173.2178.40000108.7I33 C34 D35 H36 I38 F41 C51C31-I33 PolarHBondContact O-N 3.46Å; C31-C34 HydrophobicContact CB-CB 4.16Å; C31-C34 CarbonylContact O-C 3.56Å; C31-C34 PolarHBondContact O-N 3.13Å; C31-D35 WeakPolarHBondContact O-CA 3.46Å; C31-D35 PolarHBondContact O-N 3.36Å; C31-H36 PolarHBondContact N-O 2.67Å; C31-H36 VanDerWaalsContact N-O 3.07Å; C31-H36 PolarHBondContact O-N 3.02Å; C31-I38 HydrophobicContact CB-CG1 4.48Å; C31-F41 HydrophobicContact CB-CE2 4.14Å; C31-C51 WeakPolarHBondContact CB-SG 3.48Å; C31-C51 PolarHBondContact SG-SG 3.45Å
32S95.8Very high93.8Very high100 Ų10048.8 Ų48.870%0.69926%0.258SS*.THydrogen-bonded Turntrans-64.7-22.917947.90000113.9
33I94.3Very high94.2Very high120 Ų12047.5 Ų47.562%0.61525%0.251SS*.THydrogen-bonded Turntrans-77.2-38176.5-53167.8000110.8C31 D35 H44C31-I33 PolarHBondContact O-N 3.46Å; I33-D35 VanDerWaalsContact C-N 3.35Å; I33-H44 HydrophobicContact CD1-CB 4.49Å; I33-H44 VanDerWaalsContact CG2-CE1 3.43Å; I33-H44 WeakPolarHBondContact CG2-CE1 3.43Å
34C93.3Very high94.5Very high30 Ų3046.1 Ų46.120%0.20325%0.247CC..THydrogen-bonded Turntrans-87.6-4.6175.6-61.30000113C31 H36 H44 C51C31-C34 HydrophobicContact CB-CB 4.16Å; C31-C34 CarbonylContact O-C 3.56Å; C31-C34 PolarHBondContact O-N 3.13Å; C34-H36 PolarHBondContact O-CD2 2.86Å; C34-H36 VanDerWaalsContact O-CD2 3.28Å; C34-H36 VanDerWaalsContact O-CG 3.29Å; C34-H36 PolarHBondContact O-N 3.44Å; C34-H44 PolarHBondContact SG-ND1 3.14Å; C34-C51 HydrophobicContact CB-CB 4.31Å; C34-C51 WeakPolarHBondContact CB-SG 3.43Å; C34-C51 WeakPolarHBondContact SG-CB 3.32Å; C34-C51 CovalentContact SG-SG 2.05Å; C34-C51 PolarHBondContact SG-SG 2.74Å
35D94.3Very high94.7Very high87 Ų8743.4 Ų43.447%0.46524%0.237SC..THydrogen-bonded Turntrans42.926.5-168.9-161.432.6000116.8T19 H30 C31 I33T19-D35 VanDerWaalsContact CG2-OD1 3.29Å; T19-D35 WeakPolarHBondContact CG2-OD1 3.22Å; H30-D35 VanDerWaalsContact CE1-C 3.48Å; H30-D35 IonicContact CE1-OD1 3.69Å; H30-D35 PolarHBondContact CE1-OD1 2.91Å; H30-D35 IonicContact NE2-OD1 3.49Å; C31-D35 WeakPolarHBondContact O-CA 3.46Å; C31-D35 PolarHBondContact O-N 3.36Å; I33-D35 VanDerWaalsContact C-N 3.35Å
36H91.3Very high95Very high122 Ų12245.6 Ų45.657%0.56525%0.251SS*.EExtended strand (participates in β ladder)trans-136.9150.9-172.2-67.4-26.2000112.3C31 C34 I38C31-H36 PolarHBondContact N-O 2.67Å; C31-H36 VanDerWaalsContact N-O 3.07Å; C31-H36 PolarHBondContact O-N 3.02Å; C34-H36 PolarHBondContact O-CD2 2.86Å; C34-H36 VanDerWaalsContact O-CD2 3.28Å; C34-H36 VanDerWaalsContact O-CG 3.29Å; C34-H36 PolarHBondContact O-N 3.44Å; H36-I38 HydrophobicContact CB-CD1 4.28Å; H36-I38 PolarHBondContact O-N 3.44Å
37C94.3Very high95.1Very high29 Ų2955.6 Ų55.620%0.19629%0.286CS..EExtended strand (participates in β ladder)trans-74.8119.4167.9-79.60000110.2C20 I22C20-C37 HydrophobicContact CB-CB 4.46Å; C20-C37 PolarHBondContact SG-N 3.21Å; C20-C37 VanDerWaalsContact SG-SG 3.6Å; I22-C37 HydrophobicContact CD1-CB 3.79Å
38I94.7Very high95.1Very high32 Ų3255 Ų5516%0.16429%0.286CS..EExtended strand (participates in β ladder)trans-104.1120.3-178.9-49-59.3000108.7C28 S29 C31 H36 F41 C51C28-I38 VanDerWaalsContact CA-O 3.28Å; C28-I38 WeakPolarHBondContact CA-O 3.42Å; C28-I38 PolarHBondContact SG-O 3.29Å; S29-I38 PolarHBondContact N-O 3.28Å; S29-I38 VanDerWaalsContact N-O 3.08Å; S29-I38 PolarHBondContact O-N 3.39Å; C31-I38 HydrophobicContact CB-CG1 4.48Å; H36-I38 HydrophobicContact CB-CD1 4.28Å; H36-I38 PolarHBondContact O-N 3.44Å; I38-F41 HydrophobicContact CB-CB 4.22Å; I38-F41 HydrophobicContact CB-CD2 3.8Å; I38-F41 HydrophobicContact CB-CG 4.46Å; I38-F41 HydrophobicContact CG1-CD2 4.13Å; I38-F41 HydrophobicContact CG2-CB 4.42Å; I38-F41 HydrophobicContact CG2-CD2 4.02Å; I38-C51 HydrophobicContact CD1-CB 3.83Å; I38-C51 HydrophobicContact CG1-CB 3.77Å; I38-C51 HydrophobicContact CG2-CB 4.43Å
39E93.4Very high95.2Very high40 Ų4060.7 Ų60.719%0.18732%0.315CS..THydrogen-bonded Turntrans-71.1143.8175.2-158.1-158.3161.800111.1F41 R54 Y171E39-F41 PolarHBondContact O-N 3.12Å; E39-R54 HydrophobicContact CB-CB 4.26Å; E39-R54 WeakPolarHBondContact O-CB 3.39Å; E39-R54 PolarHBondContact O-N 2.86Å; E39-R54 WeakPolarHBondContact OE1-CD 3.34Å; E39-R54 IonicContact OE1-CZ 2.7Å; E39-R54 IonicContact OE1-NE 3.53Å; E39-R54 IonicContact OE1-NH1 2.67Å; E39-R54 PolarHBondContact OE1-NH1 3.11Å; E39-R54 WeakPolarHBondContact OE2-CD 3.46Å; E39-Y171 PolarHBondContact OE2-OH 2.81Å
40N94.1Very high95.1Very high26 Ų2662 Ų6214%0.13932%0.32CS..THydrogen-bonded Turntrans40.852.7-168.9-59.49.3000111.9R27 D42 G53 R54R27-N40 HydrophobicContact CB-CB 4.48Å; N40-D42 PolarHBondContact O-N 3.35Å; N40-G53 WeakPolarHBondContact O-CA 3.47Å; N40-R54 HydrophobicContact CB-CB 3.94Å; N40-R54 HydrophobicContact CB-CG 4.32Å
41F96.8Very high95.2Very high28 Ų2860.2 Ų60.212%0.12331%0.312CS..  trans-60.9125.1-174.9177.5-106.8000110.8R27 C31 I38 E39 H43 T135 N137R27-F41 PolarHBondContact O-N 2.86Å; C31-F41 HydrophobicContact CB-CE2 4.14Å; I38-F41 HydrophobicContact CB-CB 4.22Å; I38-F41 HydrophobicContact CB-CD2 3.8Å; I38-F41 HydrophobicContact CB-CG 4.46Å; I38-F41 HydrophobicContact CG1-CD2 4.13Å; I38-F41 HydrophobicContact CG2-CB 4.42Å; I38-F41 HydrophobicContact CG2-CD2 4.02Å; E39-F41 PolarHBondContact O-N 3.12Å; F41-H43 VanDerWaalsContact CE2-C 3.47Å; F41-H43 VanDerWaalsContact CZ-C 3.5Å; F41-T135 PolarHBondContact O-OG1 2.93Å; F41-N137 HydrophobicContact CD1-CB 4.07Å; F41-N137 VanDerWaalsContact O-CB 3.31Å; F41-N137 WeakPolarHBondContact O-CB 3.3Å; F41-N137 PolarHBondContact O-ND2 3.42Å
42D97.7Very high95.2Very high2 Ų260 Ų601%0.01131%0.31CS..  trans-98.4-63.7178-163.281.7000110.9N40 I52 Y57 H126 T135 T136 N137N40-D42 PolarHBondContact O-N 3.35Å; D42-I52 HydrophobicContact CB-CB 4.32Å; D42-I52 HydrophobicContact CB-CG2 4.09Å; D42-I52 WeakPolarHBondContact CB-O 3.28Å; D42-I52 PolarHBondContact N-O 3.29Å; D42-Y57 HydrophobicContact CB-CD2 4.07Å; D42-Y57 HydrophobicContact CB-CE2 4.2Å; D42-Y57 WeakPolarHBondContact OD1-CE2 3.45Å; D42-H126 IonicContact OD2-CE1 2.71Å; D42-T135 VanDerWaalsContact OD1-CA 3.22Å; D42-T135 WeakPolarHBondContact OD1-CA 3.21Å; D42-T135 VanDerWaalsContact OD1-CB 3.26Å; D42-T135 WeakPolarHBondContact OD1-CB 3.37Å; D42-T136 PolarHBondContact OD1-N 3.11Å; D42-T136 PolarHBondContact OD1-OG1 3.34Å; D42-T136 WeakPolarHBondContact OD2-CB 3.2Å; D42-T136 PolarHBondContact OD2-OG1 3.3Å; D42-N137 WeakPolarHBondContact O-CB 3.24Å; D42-N137 PolarHBondContact O-N 3.28Å
43H97.5Very high95.2Very high43 Ų4355.2 Ų55.220%0.19928%0.278CS..EExtended strand (participates in β ladder)trans-162.9166.4173.262.2-78.6000110.7F41 C45 I52 F60F41-H43 VanDerWaalsContact CE2-C 3.47Å; F41-H43 VanDerWaalsContact CZ-C 3.5Å; H43-C45 WeakPolarHBondContact NE2-CB 3.31Å; H43-I52 PolarHBondContact O-N 3.5Å; H43-F60 AromaticContact CE1-CE1 3.78Å; H43-F60 AromaticContact CE1-CZ 3.56Å; H43-F60 AromaticContact NE2-CZ 3.83Å
44H97.6Very high95.2Very high36 Ų3652.8 Ų52.817%0.16726%0.261CS..EExtended strand (participates in β ladder)trans-89.2129.3160.6-178.196000108.3I33 C34 C51I33-H44 HydrophobicContact CD1-CB 4.49Å; I33-H44 VanDerWaalsContact CG2-CE1 3.43Å; I33-H44 WeakPolarHBondContact CG2-CE1 3.43Å; C34-H44 PolarHBondContact SG-ND1 3.14Å; H44-C51 PolarHBondContact ND1-SG 2.97Å; H44-C51 VanDerWaalsContact ND1-SG 3.43Å
45C97.4Very high95.1Very high8 Ų858 Ų585%0.05428%0.276CS..EExtended strand (participates in β ladder)trans-112.5106.8-175-174.20000110.7H43 W47 V48 N49 N50 I52H43-C45 WeakPolarHBondContact NE2-CB 3.31Å; C45-W47 PolarHBondContact O-N 3.28Å; C45-V48 HydrophobicContact CB-CG2 3.75Å; C45-V48 PolarHBondContact O-N 3.13Å; C45-N49 PolarHBondContact O-N 3.41Å; C45-N49 VanDerWaalsContact O-N 3.11Å; C45-N50 PolarHBondContact N-O 2.71Å; C45-N50 PolarHBondContact O-N 3Å; C45-I52 HydrophobicContact CB-CD1 4.31Å; C45-I52 HydrophobicContact CB-CG1 3.87Å
46P96Very high95.1Very high97 Ų9755.2 Ų55.263%0.6326%0.261SS*.G310 helixtrans-59.6-33.3178.4-2535.1000113V48 N49P46-V48 VanDerWaalsContact C-N 3.29Å; P46-V48 PolarHBondContact O-N 3.17Å; P46-N49 PolarHBondContact O-N 2.95Å
47W93.6Very high95.3Very high240 Ų24050.8 Ų50.891%0.90924%0.24SC*.G310 helixtrans-62.9-30.4-177.4-55109.9000114.1C45C45-W47 PolarHBondContact O-N 3.28Å
48V93.8Very high95.3Very high24 Ų2452.4 Ų52.415%0.14524%0.242CC..G310 helixtrans-107.86.2173.5-59.30000112.5C45 P46 N50 I52C45-V48 HydrophobicContact CB-CG2 3.75Å; C45-V48 PolarHBondContact O-N 3.13Å; P46-V48 VanDerWaalsContact C-N 3.29Å; P46-V48 PolarHBondContact O-N 3.17Å; V48-N50 HydrophobicContact CG2-CB 4.11Å; V48-N50 PolarHBondContact O-N 2.86Å; V48-I52 HydrophobicContact CG2-CD1 3.95Å
49N94.9Very high95.3Very high134 Ų13455 Ų5572%0.71725%0.25SC*.THydrogen-bonded Turntrans45.543.6-175.1-166.934.7000113.4C45 P46C45-N49 PolarHBondContact O-N 3.41Å; C45-N49 VanDerWaalsContact O-N 3.11Å; P46-N49 PolarHBondContact O-N 2.95Å
50N94.5Very high95.4Very high53 Ų5353.5 Ų53.528%0.28324%0.243SC..EExtended strand (participates in β ladder)trans-155.2156.1-173.2-158.7-6000112.5C45 V48C45-N50 PolarHBondContact N-O 2.71Å; C45-N50 PolarHBondContact O-N 3Å; V48-N50 HydrophobicContact CG2-CB 4.11Å; V48-N50 PolarHBondContact O-N 2.86Å
51C97.2Very high95.5Very high4 Ų452.9 Ų52.93%0.02724%0.239CC..EExtended strand (participates in β ladder)trans-75.2129.4170.6-75.90000111.1C31 C34 I38 H44 N56C31-C51 WeakPolarHBondContact CB-SG 3.48Å; C31-C51 PolarHBondContact SG-SG 3.45Å; C34-C51 HydrophobicContact CB-CB 4.31Å; C34-C51 WeakPolarHBondContact CB-SG 3.43Å; C34-C51 WeakPolarHBondContact SG-CB 3.32Å; C34-C51 CovalentContact SG-SG 2.05Å; C34-C51 PolarHBondContact SG-SG 2.74Å; I38-C51 HydrophobicContact CD1-CB 3.83Å; I38-C51 HydrophobicContact CG1-CB 3.77Å; I38-C51 HydrophobicContact CG2-CB 4.43Å; H44-C51 PolarHBondContact ND1-SG 2.97Å; H44-C51 VanDerWaalsContact ND1-SG 3.43Å; C51-N56 PolarHBondContact O-ND2 2.99Å
52I97.7Very high95.5Very high4 Ų455.8 Ų55.82%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-91.4124.9171.2-52.1-53.7000109.1D42 H43 C45 V48 Y57 F60D42-I52 HydrophobicContact CB-CB 4.32Å; D42-I52 HydrophobicContact CB-CG2 4.09Å; D42-I52 WeakPolarHBondContact CB-O 3.28Å; D42-I52 PolarHBondContact N-O 3.29Å; H43-I52 PolarHBondContact O-N 3.5Å; C45-I52 HydrophobicContact CB-CD1 4.31Å; C45-I52 HydrophobicContact CB-CG1 3.87Å; V48-I52 HydrophobicContact CG2-CD1 3.95Å; I52-Y57 HydrophobicContact CG2-CD2 3.84Å; I52-F60 HydrophobicContact CD1-CB 4.07Å; I52-F60 HydrophobicContact CD1-CD2 3.82Å; I52-F60 HydrophobicContact CD1-CG 4.02Å; I52-F60 HydrophobicContact CG1-CD2 4.05Å; I52-F60 HydrophobicContact CG1-CE2 4.4Å; I52-F60 HydrophobicContact CG1-CG 4.18Å; I52-F60 HydrophobicContact CG2-CB 4.12Å; I52-F60 HydrophobicContact CG2-CD1 4.02Å; I52-F60 HydrophobicContact CG2-CG 4.03Å
53G95.7Very high95.5Very high1 Ų158.9 Ų58.91%0.0127%0.265CS..SBendtrans-165.9-160.4179.300000111.9N40 R55 N56 Y57N40-G53 WeakPolarHBondContact O-CA 3.47Å; G53-R55 VanDerWaalsContact C-N 3.28Å; G53-R55 PolarHBondContact O-N 3.29Å; G53-N56 PolarHBondContact N-OD1 3.12Å; G53-N56 PolarHBondContact O-N 3.1Å; G53-N56 VanDerWaalsContact O-N 3.11Å; G53-N56 PolarHBondContact O-OD1 3Å; G53-Y57 WeakPolarHBondContact O-CB 3.29Å; G53-Y57 PolarHBondContact O-N 2.79Å
54R93.7Very high95.5Very high69 Ų6957 Ų5726%0.2626%0.257SS..THydrogen-bonded Turntrans-51.4-40-164.8-160.3177.7-176130.35.5115.4E39 N40 Y168E39-R54 HydrophobicContact CB-CB 4.26Å; E39-R54 WeakPolarHBondContact O-CB 3.39Å; E39-R54 PolarHBondContact O-N 2.86Å; E39-R54 WeakPolarHBondContact OE1-CD 3.34Å; E39-R54 IonicContact OE1-CZ 2.7Å; E39-R54 IonicContact OE1-NE 3.53Å; E39-R54 IonicContact OE1-NH1 2.67Å; E39-R54 PolarHBondContact OE1-NH1 3.11Å; E39-R54 WeakPolarHBondContact OE2-CD 3.46Å; N40-R54 HydrophobicContact CB-CB 3.94Å; N40-R54 HydrophobicContact CB-CG 4.32Å; R54-Y168 HydrophobicContact CG-CD2 3.6Å; R54-Y168 HydrophobicContact CG-CE2 3.78Å; R54-Y168 HydrophobicContact CG-CG 4.2Å; R54-Y168 VanDerWaalsContact NE-CE2 3.26Å; R54-Y168 VanDerWaalsContact NH2-CZ 3.3Å; R54-Y168 PolarHBondContact NH2-OH 3.17Å
55R91.1Very high95.5Very high139 Ų13958.1 Ų58.153%0.52526%0.263SS..THydrogen-bonded Turntrans-81.1-19.2-174.2-69.6-177.171.4-142.5-5.2114.8G53 Y168 P169G53-R55 VanDerWaalsContact C-N 3.28Å; G53-R55 PolarHBondContact O-N 3.29Å; R55-Y168 PolarHBondContact NE-O 3.26Å; R55-P169 WeakPolarHBondContact CD-O 3.45Å; R55-P169 PolarHBondContact NE-O 3.22Å
56N93.6Very high95.5Very high29 Ų2961.9 Ų61.916%0.15529%0.286CS..THydrogen-bonded Turntrans-128.8-5.5-17564.6-12.2000115.3C51 G53 R58 Y59 F60C51-N56 PolarHBondContact O-ND2 2.99Å; G53-N56 PolarHBondContact N-OD1 3.12Å; G53-N56 PolarHBondContact O-N 3.1Å; G53-N56 VanDerWaalsContact O-N 3.11Å; G53-N56 PolarHBondContact O-OD1 3Å; N56-R58 VanDerWaalsContact C-N 3.25Å; N56-R58 PolarHBondContact O-N 3.19Å; N56-Y59 HydrophobicContact CB-CD2 4.46Å; N56-Y59 PolarHBondContact O-N 2.99Å; N56-F60 PolarHBondContact O-N 3.05Å
57Y95.6Very high95.5Very high29 Ų2959.8 Ų59.811%0.11427%0.269CS..Hα-helixtrans-54.5-38.8178.5-169.7-83.9000112.9D42 I52 G53 Y59 F60 F61 H126 V130 V162D42-Y57 HydrophobicContact CB-CD2 4.07Å; D42-Y57 HydrophobicContact CB-CE2 4.2Å; D42-Y57 WeakPolarHBondContact OD1-CE2 3.45Å; I52-Y57 HydrophobicContact CG2-CD2 3.84Å; G53-Y57 WeakPolarHBondContact O-CB 3.29Å; G53-Y57 PolarHBondContact O-N 2.79Å; Y57-Y59 PolarHBondContact O-N 2.87Å; Y57-F60 PolarHBondContact O-N 3.41Å; Y57-F61 HydrophobicContact CD1-CB 4.43Å; Y57-F61 HydrophobicContact CE1-CB 4.24Å; Y57-F61 WeakPolarHBondContact O-CB 3.46Å; Y57-F61 PolarHBondContact O-N 3.03Å; Y57-H126 AromaticContact CE2-ND1 3.91Å; Y57-H126 AromaticContact CZ-ND1 3.74Å; Y57-H126 PolarHBondContact OH-ND1 3.47Å; Y57-V130 HydrophobicContact CE1-CG2 3.71Å; Y57-V162 HydrophobicContact CD1-CG1 3.91Å; Y57-V162 HydrophobicContact CD1-CG2 4.41Å; Y57-V162 HydrophobicContact CE1-CG1 4Å; Y57-V162 HydrophobicContact CE1-CG2 4.36Å
58R94.6Very high95.7Very high62 Ų6249 Ų4923%0.23423%0.23CC..Hα-helixtrans-57.1-48.1175.4179.4171.667-170.6-8.4112.4N56 F61 F62 V162 L163 A165 S167N56-R58 VanDerWaalsContact C-N 3.25Å; N56-R58 PolarHBondContact O-N 3.19Å; R58-F61 PolarHBondContact O-N 2.76Å; R58-F62 HydrophobicContact CG-CD2 3.73Å; R58-F62 HydrophobicContact CG-CE2 3.65Å; R58-F62 VanDerWaalsContact O-CD2 3.29Å; R58-F62 WeakPolarHBondContact O-CD2 3.47Å; R58-F62 PolarHBondContact O-N 3.4Å; R58-V162 WeakPolarHBondContact CB-O 3.2Å; R58-V162 WeakPolarHBondContact CD-O 3.35Å; R58-V162 VanDerWaalsContact CG-O 3.31Å; R58-V162 WeakPolarHBondContact CG-O 3.27Å; R58-L163 WeakPolarHBondContact CD-O 3.48Å; R58-L163 PolarHBondContact NH1-O 3.28Å; R58-A165 PolarHBondContact NH1-O 3.23Å; R58-S167 PolarHBondContact NH2-OG 3.26Å
59Y94.6Very high95.9Very high86 Ų8650.3 Ų50.334%0.33724%0.244SC..Hα-helixtrans-67.8-39.5-179.6-55.2-65.5000111.4N56 Y57 F62 F63N56-Y59 HydrophobicContact CB-CD2 4.46Å; N56-Y59 PolarHBondContact O-N 2.99Å; Y57-Y59 PolarHBondContact O-N 2.87Å; Y59-F62 PolarHBondContact O-N 2.78Å; Y59-F63 VanDerWaalsContact O-CB 3.27Å; Y59-F63 WeakPolarHBondContact O-CB 3.48Å; Y59-F63 PolarHBondContact O-N 2.99Å
60F96.4Very high96Very high10 Ų1049.5 Ų49.54%0.04424%0.236CC..Hα-helixtrans-62.3-42.2173.3175.3-98.8000112.2H43 I52 N56 Y57 F63 L64 H126H43-F60 AromaticContact CE1-CE1 3.78Å; H43-F60 AromaticContact CE1-CZ 3.56Å; H43-F60 AromaticContact NE2-CZ 3.83Å; I52-F60 HydrophobicContact CD1-CB 4.07Å; I52-F60 HydrophobicContact CD1-CD2 3.82Å; I52-F60 HydrophobicContact CD1-CG 4.02Å; I52-F60 HydrophobicContact CG1-CD2 4.05Å; I52-F60 HydrophobicContact CG1-CE2 4.4Å; I52-F60 HydrophobicContact CG1-CG 4.18Å; I52-F60 HydrophobicContact CG2-CB 4.12Å; I52-F60 HydrophobicContact CG2-CD1 4.02Å; I52-F60 HydrophobicContact CG2-CG 4.03Å; N56-F60 PolarHBondContact O-N 3.05Å; Y57-F60 PolarHBondContact O-N 3.41Å; F60-F63 HydrophobicContact CD2-CD1 4.45Å; F60-F63 WeakPolarHBondContact O-CB 3.26Å; F60-F63 PolarHBondContact O-N 3.47Å; F60-L64 HydrophobicContact CD1-CD1 4.25Å; F60-L64 HydrophobicContact CE1-CD1 3.5Å; F60-L64 HydrophobicContact CE1-CG 4.12Å; F60-L64 HydrophobicContact CE2-CD2 4.48Å; F60-L64 HydrophobicContact CE2-CG 4.41Å; F60-L64 HydrophobicContact CZ-CD1 3.68Å; F60-L64 HydrophobicContact CZ-CD2 4.25Å; F60-L64 HydrophobicContact CZ-CG 4.02Å; F60-L64 WeakPolarHBondContact O-CG 3.14Å; F60-L64 PolarHBondContact O-N 3.25Å; F60-H126 AromaticContact CE1-CE1 3.66Å; F60-H126 AromaticContact CE1-NE2 3.62Å
61F96.7Very high96.1Very high12 Ų1247.6 Ų47.65%0.05323%0.226CC..Hα-helixtrans-65-45.7177.6-173.4-111.4000112Y57 R58 F63 L64 L65 H126 I127 V130 V162 L163Y57-F61 HydrophobicContact CD1-CB 4.43Å; Y57-F61 HydrophobicContact CE1-CB 4.24Å; Y57-F61 WeakPolarHBondContact O-CB 3.46Å; Y57-F61 PolarHBondContact O-N 3.03Å; R58-F61 PolarHBondContact O-N 2.76Å; F61-F63 VanDerWaalsContact C-N 3.35Å; F61-F63 PolarHBondContact O-N 3.41Å; F61-L64 PolarHBondContact O-N 3.08Å; F61-L65 HydrophobicContact CD1-CD1 3.93Å; F61-L65 HydrophobicContact CE1-CD1 3.6Å; F61-L65 HydrophobicContact CE1-CG 4.36Å; F61-L65 HydrophobicContact CZ-CD1 4.1Å; F61-L65 HydrophobicContact CZ-CG 4.45Å; F61-L65 WeakPolarHBondContact O-CG 3.12Å; F61-L65 PolarHBondContact O-N 3.34Å; F61-L65 VanDerWaalsContact O-N 3.09Å; F61-H126 HydrophobicContact CD2-CB 4.12Å; F61-H126 HydrophobicContact CE2-CB 4.18Å; F61-I127 HydrophobicContact CE2-CG1 4.08Å; F61-I127 HydrophobicContact CZ-CG1 4.02Å; F61-V130 HydrophobicContact CD2-CG2 4.05Å; F61-V130 HydrophobicContact CE2-CG2 3.85Å; F61-V130 HydrophobicContact CZ-CG2 4.21Å; F61-V162 HydrophobicContact CB-CG1 4.43Å; F61-V162 HydrophobicContact CD1-CG1 4.12Å; F61-V162 HydrophobicContact CG-CG1 4.34Å; F61-L163 HydrophobicContact CD1-CD2 3.95Å; F61-L163 HydrophobicContact CE1-CD2 3.98Å
62F96.2Very high96.1Very high89 Ų8949.7 Ų49.739%0.3924%0.238SC..Hα-helixtrans-62.9-39.8173.1-80.1-60000112.5R58 Y59 L64 L65 T66 L163R58-F62 HydrophobicContact CG-CD2 3.73Å; R58-F62 HydrophobicContact CG-CE2 3.65Å; R58-F62 VanDerWaalsContact O-CD2 3.29Å; R58-F62 WeakPolarHBondContact O-CD2 3.47Å; R58-F62 PolarHBondContact O-N 3.4Å; Y59-F62 PolarHBondContact O-N 2.78Å; F62-L64 VanDerWaalsContact C-N 3.34Å; F62-L64 PolarHBondContact O-N 3.19Å; F62-L65 HydrophobicContact CD1-CD1 4.33Å; F62-L65 PolarHBondContact O-N 3.18Å; F62-T66 WeakPolarHBondContact O-CG2 3.28Å; F62-T66 PolarHBondContact O-N 3.31Å; F62-T66 PolarHBondContact O-OG1 3.2Å; F62-T66 VanDerWaalsContact O-OG1 3.05Å; F62-L163 HydrophobicContact CE1-CD2 3.96Å; F62-L163 HydrophobicContact CE2-CD2 4.1Å; F62-L163 HydrophobicContact CZ-CD2 3.58Å
63F96.8Very high96.1Very high68 Ų6853.4 Ų53.430%0.29826%0.261SS..Hα-helixtrans-57.7-43.6174163.7-104.8000112.2Y59 F60 F61 T66 L67 F369Y59-F63 VanDerWaalsContact O-CB 3.27Å; Y59-F63 WeakPolarHBondContact O-CB 3.48Å; Y59-F63 PolarHBondContact O-N 2.99Å; F60-F63 HydrophobicContact CD2-CD1 4.45Å; F60-F63 WeakPolarHBondContact O-CB 3.26Å; F60-F63 PolarHBondContact O-N 3.47Å; F61-F63 VanDerWaalsContact C-N 3.35Å; F61-F63 PolarHBondContact O-N 3.41Å; F63-T66 PolarHBondContact O-OG1 3.46Å; F63-L67 HydrophobicContact CE1-CD2 4.35Å; F63-L67 HydrophobicContact CE2-CD2 4.23Å; F63-L67 HydrophobicContact CZ-CD2 3.83Å; F63-L67 WeakPolarHBondContact O-CB 3.39Å; F63-L67 PolarHBondContact O-N 2.58Å; F63-F369 HydrophobicContact CD2-CZ 4.46Å
64L97.4Very high96.1Very high4 Ų454.9 Ų54.92%0.02127%0.27CS..Hα-helixtrans-63.9-42.4175.2-71.6-175.6000112.8F60 F61 F62 S68 L122 T123 H126F60-L64 HydrophobicContact CD1-CD1 4.25Å; F60-L64 HydrophobicContact CE1-CD1 3.5Å; F60-L64 HydrophobicContact CE1-CG 4.12Å; F60-L64 HydrophobicContact CE2-CD2 4.48Å; F60-L64 HydrophobicContact CE2-CG 4.41Å; F60-L64 HydrophobicContact CZ-CD1 3.68Å; F60-L64 HydrophobicContact CZ-CD2 4.25Å; F60-L64 HydrophobicContact CZ-CG 4.02Å; F60-L64 WeakPolarHBondContact O-CG 3.14Å; F60-L64 PolarHBondContact O-N 3.25Å; F61-L64 PolarHBondContact O-N 3.08Å; F62-L64 VanDerWaalsContact C-N 3.34Å; F62-L64 PolarHBondContact O-N 3.19Å; L64-S68 VanDerWaalsContact O-CB 3.3Å; L64-S68 WeakPolarHBondContact O-CB 3.42Å; L64-S68 PolarHBondContact O-N 3.08Å; L64-S68 PolarHBondContact O-OG 2.84Å; L64-L122 HydrophobicContact CD1-CD2 4.34Å; L64-L122 HydrophobicContact CD1-CG 4.05Å; L64-L122 HydrophobicContact CD2-CD2 3.75Å; L64-L122 HydrophobicContact CD2-CG 4.2Å; L64-T123 HydrophobicContact CB-CG2 4.42Å; L64-T123 PolarHBondContact O-OG1 3.44Å; L64-H126 HydrophobicContact CD1-CB 4.08Å; L64-H126 VanDerWaalsContact CD1-CD2 3.49Å; L64-H126 WeakPolarHBondContact CD1-CD2 3.39Å
65L97.4Very high96.1Very high58 Ų5854.9 Ų54.930%0.30427%0.272SS..Hα-helixtrans-64.1-49.3177.3-69.8173.8000112F61 F62 S68 A69 T123 I127F61-L65 HydrophobicContact CD1-CD1 3.93Å; F61-L65 HydrophobicContact CE1-CD1 3.6Å; F61-L65 HydrophobicContact CE1-CG 4.36Å; F61-L65 HydrophobicContact CZ-CD1 4.1Å; F61-L65 HydrophobicContact CZ-CG 4.45Å; F61-L65 WeakPolarHBondContact O-CG 3.12Å; F61-L65 PolarHBondContact O-N 3.34Å; F61-L65 VanDerWaalsContact O-N 3.09Å; F62-L65 HydrophobicContact CD1-CD1 4.33Å; F62-L65 PolarHBondContact O-N 3.18Å; L65-S68 PolarHBondContact O-N 3.02Å; L65-A69 WeakPolarHBondContact O-CB 3.49Å; L65-A69 PolarHBondContact O-N 2.93Å; L65-T123 HydrophobicContact CD2-CG2 3.87Å; L65-I127 HydrophobicContact CD2-CD1 4.22Å
66T97.4Very high96.3Very high87 Ų8753.8 Ų53.853%0.53427%0.271SS..Hα-helixtrans-71.4-36.1-178.758.40000112.1F62 F63 A69 H70F62-T66 WeakPolarHBondContact O-CG2 3.28Å; F62-T66 PolarHBondContact O-N 3.31Å; F62-T66 PolarHBondContact O-OG1 3.2Å; F62-T66 VanDerWaalsContact O-OG1 3.05Å; F63-T66 PolarHBondContact O-OG1 3.46Å; T66-A69 PolarHBondContact O-N 3.11Å; T66-H70 WeakPolarHBondContact O-CB 3.18Å; T66-H70 PolarHBondContact O-N 2.87Å
67L97.2Very high96.3Very high53 Ų5357.1 Ų57.128%0.27729%0.288SS..Hα-helixtrans-64.5-42.9173.5-176.165.1000111.4F63 H70 I71 V119F63-L67 HydrophobicContact CE1-CD2 4.35Å; F63-L67 HydrophobicContact CE2-CD2 4.23Å; F63-L67 HydrophobicContact CZ-CD2 3.83Å; F63-L67 WeakPolarHBondContact O-CB 3.39Å; F63-L67 PolarHBondContact O-N 2.58Å; L67-H70 PolarHBondContact O-N 3.01Å; L67-I71 HydrophobicContact CD1-CD1 4.36Å; L67-I71 HydrophobicContact CG-CD1 4.08Å; L67-I71 VanDerWaalsContact O-CG1 3.3Å; L67-I71 WeakPolarHBondContact O-CG1 3.35Å; L67-I71 PolarHBondContact O-N 3.19Å; L67-V119 HydrophobicContact CB-CG1 4.4Å; L67-V119 HydrophobicContact CD2-CG1 3.79Å; L67-V119 HydrophobicContact CD2-CG2 4.2Å; L67-V119 HydrophobicContact CG-CG1 3.92Å
68S97.7Very high96.1Very high13 Ų1356.8 Ų56.89%0.09129%0.29CS..Hα-helixtrans-61.1-48.6174.6-66.30000111.8L64 L65 H70 I71 V72 T123L64-S68 VanDerWaalsContact O-CB 3.3Å; L64-S68 WeakPolarHBondContact O-CB 3.42Å; L64-S68 PolarHBondContact O-N 3.08Å; L64-S68 PolarHBondContact O-OG 2.84Å; L65-S68 PolarHBondContact O-N 3.02Å; S68-H70 VanDerWaalsContact C-N 3.33Å; S68-H70 PolarHBondContact O-N 3.28Å; S68-I71 PolarHBondContact O-N 3.37Å; S68-V72 WeakPolarHBondContact O-CG2 3.42Å; S68-V72 PolarHBondContact O-N 2.78Å; S68-V72 VanDerWaalsContact O-N 3.07Å; S68-T123 WeakPolarHBondContact OG-CB 3.38Å; S68-T123 PolarHBondContact OG-OG1 2.99Å
69A97.9Very high95.9Very high53 Ų5356.6 Ų56.644%0.43829%0.293SS..Hα-helixtrans-61.4-41.4176.900000111.8L65 T66 V72 V73L65-A69 WeakPolarHBondContact O-CB 3.49Å; L65-A69 PolarHBondContact O-N 2.93Å; T66-A69 PolarHBondContact O-N 3.11Å; A69-V72 PolarHBondContact O-N 3.15Å; A69-V73 WeakPolarHBondContact O-CB 3.36Å; A69-V73 VanDerWaalsContact O-CG2 3.27Å; A69-V73 WeakPolarHBondContact O-CG2 3.49Å; A69-V73 PolarHBondContact O-N 3.05Å
70H97.2Very high95.7Very high117 Ų11756.9 Ų56.954%0.54230%0.3SS..Hα-helixtrans-64-45.9177.6179.2-105.1000112.3T66 L67 S68 V72 V73 V74T66-H70 WeakPolarHBondContact O-CB 3.18Å; T66-H70 PolarHBondContact O-N 2.87Å; L67-H70 PolarHBondContact O-N 3.01Å; S68-H70 VanDerWaalsContact C-N 3.33Å; S68-H70 PolarHBondContact O-N 3.28Å; H70-V72 VanDerWaalsContact C-N 3.31Å; H70-V72 PolarHBondContact O-N 3.49Å; H70-V73 PolarHBondContact O-N 2.74Å; H70-V74 WeakPolarHBondContact O-CB 3Å; H70-V74 VanDerWaalsContact O-CG2 3.3Å; H70-V74 WeakPolarHBondContact O-CG2 3.28Å; H70-V74 PolarHBondContact O-N 3.48Å
71I97.1Very high95.2Very high12 Ų1260.2 Ų60.26%0.06232%0.324CS..Hα-helixtrans-58-45.6175.2-70.4166.2000110.5L67 S68 F75 C112 M115 F116 V119L67-I71 HydrophobicContact CD1-CD1 4.36Å; L67-I71 HydrophobicContact CG-CD1 4.08Å; L67-I71 VanDerWaalsContact O-CG1 3.3Å; L67-I71 WeakPolarHBondContact O-CG1 3.35Å; L67-I71 PolarHBondContact O-N 3.19Å; S68-I71 PolarHBondContact O-N 3.37Å; I71-F75 WeakPolarHBondContact O-CB 3.28Å; I71-F75 PolarHBondContact O-N 3.5Å; I71-C112 HydrophobicContact CG2-CB 4.26Å; I71-C112 WeakPolarHBondContact CG2-O 3.39Å; I71-M115 HydrophobicContact CD1-CB 4.11Å; I71-F116 HydrophobicContact CG2-CB 4.35Å; I71-F116 HydrophobicContact CG2-CD2 4.41Å; I71-V119 HydrophobicContact CD1-CB 3.88Å; I71-V119 HydrophobicContact CD1-CG1 3.88Å; I71-V119 HydrophobicContact CD1-CG2 3.92Å
72V96.5Very high94.6Very high49 Ų4961 Ų6130%0.29733%0.332SS..Hα-helixtrans-62.3-51178168.50000111.4S68 A69 H70 F75 F76 F116S68-V72 WeakPolarHBondContact O-CG2 3.42Å; S68-V72 PolarHBondContact O-N 2.78Å; S68-V72 VanDerWaalsContact O-N 3.07Å; A69-V72 PolarHBondContact O-N 3.15Å; H70-V72 VanDerWaalsContact C-N 3.31Å; H70-V72 PolarHBondContact O-N 3.49Å; V72-F75 PolarHBondContact O-N 3.15Å; V72-F76 HydrophobicContact CG1-CD2 3.7Å; V72-F76 HydrophobicContact CG1-CE2 3.84Å; V72-F76 VanDerWaalsContact O-CD2 3.25Å; V72-F76 WeakPolarHBondContact O-CD2 3.3Å; V72-F76 PolarHBondContact O-N 3.08Å; V72-F116 HydrophobicContact CG2-CD2 4.36Å; V72-F116 HydrophobicContact CG2-CE2 3.94Å
73V96.9Very high94Very high81 Ų8160.6 Ų60.649%0.49133%0.334SS..Hα-helixtrans-63.2-47.6-178.6168.20000111.3A69 H70 F75 F76 L77A69-V73 WeakPolarHBondContact O-CB 3.36Å; A69-V73 VanDerWaalsContact O-CG2 3.27Å; A69-V73 WeakPolarHBondContact O-CG2 3.49Å; A69-V73 PolarHBondContact O-N 3.05Å; H70-V73 PolarHBondContact O-N 2.74Å; V73-F75 PolarHBondContact O-N 2.99Å; V73-F76 PolarHBondContact O-N 3.32Å; V73-L77 HydrophobicContact CG1-CD1 3.65Å; V73-L77 HydrophobicContact CG1-CG 4.21Å; V73-L77 WeakPolarHBondContact O-CB 3.41Å; V73-L77 VanDerWaalsContact O-CG 3.24Å; V73-L77 WeakPolarHBondContact O-CG 3.31Å; V73-L77 PolarHBondContact O-N 2.78Å
74V95.5Very high93.2Very high32 Ų3261.4 Ų61.419%0.19434%0.341CS..Hα-helixtrans-62-44.7178.2172.30000110.8H70 L77 C78 V108H70-V74 WeakPolarHBondContact O-CB 3Å; H70-V74 VanDerWaalsContact O-CG2 3.3Å; H70-V74 WeakPolarHBondContact O-CG2 3.28Å; H70-V74 PolarHBondContact O-N 3.48Å; V74-L77 PolarHBondContact O-N 3.15Å; V74-C78 VanDerWaalsContact O-CB 3.31Å; V74-C78 WeakPolarHBondContact O-CB 3.26Å; V74-C78 PolarHBondContact O-N 3.03Å; V74-C78 PolarHBondContact O-SG 3.49Å; V74-V108 HydrophobicContact CG1-CG1 3.64Å
75F95.1Very high92.1Very high69 Ų6962.5 Ų62.530%0.30335%0.351SS..Hα-helixtrans-61.1-46.8177.2-174.1-88.2000112I71 V72 V73 L79 M109 C112I71-F75 WeakPolarHBondContact O-CB 3.28Å; I71-F75 PolarHBondContact O-N 3.5Å; V72-F75 PolarHBondContact O-N 3.15Å; V73-F75 PolarHBondContact O-N 2.99Å; F75-L79 HydrophobicContact CE1-CD2 4.3Å; F75-L79 WeakPolarHBondContact O-CB 3.33Å; F75-L79 PolarHBondContact O-N 2.9Å; F75-M109 HydrophobicContact CB-SD 4.41Å; F75-M109 HydrophobicContact CD1-CE 4.01Å; F75-M109 HydrophobicContact CD2-CE 3.53Å; F75-M109 HydrophobicContact CD2-SD 3.66Å; F75-M109 HydrophobicContact CE1-CE 3.81Å; F75-M109 HydrophobicContact CE2-CE 3.32Å; F75-M109 HydrophobicContact CE2-SD 4.04Å; F75-M109 HydrophobicContact CG-CE 3.88Å; F75-M109 HydrophobicContact CG-SD 3.99Å; F75-M109 HydrophobicContact CZ-CE 3.47Å; F75-M109 VanDerWaalsContact CZ-CE 3.47Å; F75-C112 HydrophobicContact CB-CB 4.18Å; F75-C112 HydrophobicContact CD2-CB 4.03Å
76F94.6Very high90.8Very high116 Ų11662.5 Ų62.551%0.50936%0.356SS..Hα-helixtrans-68-38.7178.5-81.9-65.1000112.9V72 V73 L79 L80V72-F76 HydrophobicContact CG1-CD2 3.7Å; V72-F76 HydrophobicContact CG1-CE2 3.84Å; V72-F76 VanDerWaalsContact O-CD2 3.25Å; V72-F76 WeakPolarHBondContact O-CD2 3.3Å; V72-F76 PolarHBondContact O-N 3.08Å; V73-F76 PolarHBondContact O-N 3.32Å; F76-L79 HydrophobicContact CD1-CD2 4.41Å; F76-L79 PolarHBondContact O-N 2.95Å; F76-L80 WeakPolarHBondContact O-CB 3.47Å; F76-L80 WeakPolarHBondContact O-CG 3.46Å; F76-L80 PolarHBondContact O-N 3.37Å
77L93.6Very high89.5Confident99 Ų9966.8 Ų66.852%0.51836%0.362SS..Hα-helixtrans-64.6-47.6175.4-71.6174.6000111.5V73 V74 L79 L80 C81V73-L77 HydrophobicContact CG1-CD1 3.65Å; V73-L77 HydrophobicContact CG1-CG 4.21Å; V73-L77 WeakPolarHBondContact O-CB 3.41Å; V73-L77 VanDerWaalsContact O-CG 3.24Å; V73-L77 WeakPolarHBondContact O-CG 3.31Å; V73-L77 PolarHBondContact O-N 2.78Å; V74-L77 PolarHBondContact O-N 3.15Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 3.22Å; L77-L80 PolarHBondContact O-N 2.91Å; L77-C81 WeakPolarHBondContact O-CB 3.38Å; L77-C81 PolarHBondContact O-N 2.95Å; L77-C81 PolarHBondContact O-SG 3.28Å; L77-C81 VanDerWaalsContact O-SG 3.32Å
78C91.6Very high87.6Confident23 Ų2368 Ų6816%0.15537%0.374CS..Hα-helixtrans-63.6-37.3176-74.10000112.1V74 A82 M109V74-C78 VanDerWaalsContact O-CB 3.31Å; V74-C78 WeakPolarHBondContact O-CB 3.26Å; V74-C78 PolarHBondContact O-N 3.03Å; V74-C78 PolarHBondContact O-SG 3.49Å; C78-A82 VanDerWaalsContact O-CB 3.27Å; C78-A82 WeakPolarHBondContact O-CB 3.22Å; C78-A82 PolarHBondContact O-N 3.08Å; C78-M109 HydrophobicContact CB-CG 3.71Å; C78-M109 HydrophobicContact CB-SD 3.35Å; C78-M109 WeakPolarHBondContact CB-SD 3.42Å
79L90.7Very high85.9Confident57 Ų5770.7 Ų70.730%0.29838%0.382SS..Hα-helixtrans-63.6-46.7172.9-177.660.1000112.1F75 F76 L77 A82 L83 M109F75-L79 HydrophobicContact CE1-CD2 4.3Å; F75-L79 WeakPolarHBondContact O-CB 3.33Å; F75-L79 PolarHBondContact O-N 2.9Å; F76-L79 HydrophobicContact CD1-CD2 4.41Å; F76-L79 PolarHBondContact O-N 2.95Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-L79 PolarHBondContact O-N 3.22Å; L79-A82 PolarHBondContact O-N 3.39Å; L79-L83 HydrophobicContact CD1-CD1 4.04Å; L79-L83 HydrophobicContact CD1-CG 4.1Å; L79-L83 HydrophobicContact CG-CD1 3.93Å; L79-L83 HydrophobicContact CG-CG 4.38Å; L79-L83 WeakPolarHBondContact O-CB 3.3Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.3Å; L79-L83 PolarHBondContact O-N 3.26Å; L79-M109 HydrophobicContact CB-CE 3.74Å; L79-M109 HydrophobicContact CD1-CE 4.24Å; L79-M109 HydrophobicContact CG-CE 4.5Å
80L90.2Very high83.9Confident93 Ų9376 Ų7649%0.48740%0.402SS..Hα-helixtrans-62.6-43.4177.8-73.3168.9000111.5F76 L77 L83 N84F76-L80 WeakPolarHBondContact O-CB 3.47Å; F76-L80 WeakPolarHBondContact O-CG 3.46Å; F76-L80 PolarHBondContact O-N 3.37Å; L77-L80 PolarHBondContact O-N 2.91Å; L80-L83 PolarHBondContact O-N 2.89Å; L80-N84 VanDerWaalsContact O-CB 3.31Å; L80-N84 WeakPolarHBondContact O-CB 3.39Å; L80-N84 VanDerWaalsContact O-CG 3.31Å; L80-N84 PolarHBondContact O-N 3.35Å; L80-N84 PolarHBondContact O-ND2 3.28Å
81C85.8Confident81.9Confident80 Ų8077.6 Ų77.654%0.54141%0.414SS..Hα-helixtrans-60.4-46172.9-720000111.7L77 A85L77-C81 WeakPolarHBondContact O-CB 3.38Å; L77-C81 PolarHBondContact O-N 2.95Å; L77-C81 PolarHBondContact O-SG 3.28Å; L77-C81 VanDerWaalsContact O-SG 3.32Å; C81-A85 WeakPolarHBondContact O-CB 3.38Å; C81-A85 PolarHBondContact O-N 2.85Å
82A83.4Confident80.1Confident27 Ų2783.5 Ų83.522%0.22344%0.444CS..Hα-helixtrans-62.8-42.9177.500000112.2C78 L79 S86 M106C78-A82 VanDerWaalsContact O-CB 3.27Å; C78-A82 WeakPolarHBondContact O-CB 3.22Å; C78-A82 PolarHBondContact O-N 3.08Å; L79-A82 PolarHBondContact O-N 3.39Å; A82-S86 WeakPolarHBondContact O-CB 3.49Å; A82-S86 PolarHBondContact O-N 3.42Å; A82-S86 PolarHBondContact O-OG 3.36Å; A82-M106 HydrophobicContact CB-CE 4.05Å
83L84Confident78.5Confident82 Ų8289.4 Ų89.443%0.42946%0.461SS..Hα-helixtrans-68.4-47.4179-71.2174.1000112L79 L80 S86 R87L79-L83 HydrophobicContact CD1-CD1 4.04Å; L79-L83 HydrophobicContact CD1-CG 4.1Å; L79-L83 HydrophobicContact CG-CD1 3.93Å; L79-L83 HydrophobicContact CG-CG 4.38Å; L79-L83 WeakPolarHBondContact O-CB 3.3Å; L79-L83 VanDerWaalsContact O-CG 3.27Å; L79-L83 WeakPolarHBondContact O-CG 3.3Å; L79-L83 PolarHBondContact O-N 3.26Å; L80-L83 PolarHBondContact O-N 2.89Å; L83-S86 WeakPolarHBondContact CA-OG 3.15Å; L83-S86 PolarHBondContact O-N 3.3Å; L83-S86 PolarHBondContact O-OG 3.26Å; L83-R87 WeakPolarHBondContact O-CG 3.28Å; L83-R87 PolarHBondContact O-N 3.37Å
84N80.5Confident76.7Confident84 Ų8496.1 Ų96.145%0.44948%0.478SS..Hα-helixtrans-64-43.8177.4-72.4-25.2000111.5L80 S86 R87 C88L80-N84 VanDerWaalsContact O-CB 3.31Å; L80-N84 WeakPolarHBondContact O-CB 3.39Å; L80-N84 VanDerWaalsContact O-CG 3.31Å; L80-N84 PolarHBondContact O-N 3.35Å; L80-N84 PolarHBondContact O-ND2 3.28Å; N84-S86 VanDerWaalsContact C-N 3.33Å; N84-S86 PolarHBondContact O-N 3.33Å; N84-R87 WeakPolarHBondContact O-CB 3.28Å; N84-R87 PolarHBondContact O-N 2.65Å; N84-R87 PolarHBondContact OD1-NH1 3.34Å; N84-C88 PolarHBondContact O-N 2.86Å
85A74.1Confident75Confident27 Ų27100.1 Ų100.122%0.22350%0.498CS..Hα-helixtrans-71.1-28.217700000112.2C81 R89C81-A85 WeakPolarHBondContact O-CB 3.38Å; C81-A85 PolarHBondContact O-N 2.85Å; A85-R89 WeakPolarHBondContact O-CB 3.16Å; A85-R89 WeakPolarHBondContact O-CG 3.36Å; A85-R89 PolarHBondContact O-N 2.98Å; A85-R89 PolarHBondContact O-NE 3.44Å
86S70.7Confident73.6Confident58 Ų5898.2 Ų98.241%0.40649%0.493SS..Hα-helixtrans-70.2-33.7170.1710000112.6A82 L83 N84 R89 L90A82-S86 WeakPolarHBondContact O-CB 3.49Å; A82-S86 PolarHBondContact O-N 3.42Å; A82-S86 PolarHBondContact O-OG 3.36Å; L83-S86 WeakPolarHBondContact CA-OG 3.15Å; L83-S86 PolarHBondContact O-N 3.3Å; L83-S86 PolarHBondContact O-OG 3.26Å; N84-S86 VanDerWaalsContact C-N 3.33Å; N84-S86 PolarHBondContact O-N 3.33Å; S86-R89 PolarHBondContact O-N 3.37Å; S86-L90 VanDerWaalsContact O-CB 3.23Å; S86-L90 WeakPolarHBondContact O-CB 3.41Å; S86-L90 PolarHBondContact O-N 3.43Å
87R68.4Low72.3Confident178 Ų17898.4 Ų98.467%0.67250%0.499SS*.Hα-helixtrans-61-45.9172.1-74.3168.4174.6165.2-5.3111.1L83 N84L83-R87 WeakPolarHBondContact O-CG 3.28Å; L83-R87 PolarHBondContact O-N 3.37Å; N84-R87 WeakPolarHBondContact O-CB 3.28Å; N84-R87 PolarHBondContact O-N 2.65Å; N84-R87 PolarHBondContact OD1-NH1 3.34Å
88C58.6Low71.3Confident79 Ų79100.6 Ų100.653%0.53451%0.511SS..Hα-helixtrans-68.7-38.2173.9-65.90000113N84 L91 I92N84-C88 PolarHBondContact O-N 2.86Å; C88-L91 PolarHBondContact O-N 3.49Å; C88-I92 WeakPolarHBondContact O-CG1 3.12Å
89R61.3Low70.9Confident69 Ų69102.2 Ų102.226%0.2652%0.52SS..Hα-helixtrans-79.7-24.8-175.9-72.8-178.8-93.1-142.723114.4A85 S86 L91 I92 R93 S96 N102A85-R89 WeakPolarHBondContact O-CB 3.16Å; A85-R89 WeakPolarHBondContact O-CG 3.36Å; A85-R89 PolarHBondContact O-N 2.98Å; A85-R89 PolarHBondContact O-NE 3.44Å; S86-R89 PolarHBondContact O-N 3.37Å; R89-L91 PolarHBondContact O-N 3.32Å; R89-I92 PolarHBondContact O-N 3.42Å; R89-R93 PolarHBondContact O-N 3.38Å; R89-R93 VanDerWaalsContact O-N 3.08Å; R89-S96 WeakPolarHBondContact CD-OG 3.31Å; R89-N102 PolarHBondContact NH1-ND2 3.49Å; R89-N102 PolarHBondContact NH1-OD1 3.45Å; R89-N102 PolarHBondContact NH2-ND2 2.82Å; R89-N102 PolarHBondContact NH2-OD1 3.01Å
90L55.8Low70.6Confident163 Ų163108.4 Ų108.485%0.85354%0.544SS*.Hα-helixtrans-62.1-28.9170.4-164.675.9000111.4S86S86-L90 VanDerWaalsContact O-CB 3.23Å; S86-L90 WeakPolarHBondContact O-CB 3.41Å; S86-L90 PolarHBondContact O-N 3.43Å
91L55.6Low70.3Confident152 Ų152111 Ų11180%0.79655%0.554SS**THydrogen-bonded Turntrans-80.6-16.2172.6-61173.1000113.6C88 R89C88-L91 PolarHBondContact O-N 3.49Å; R89-L91 PolarHBondContact O-N 3.32Å
92I58.9Low70.1Confident135 Ų135107.9 Ų107.969%0.69253%0.532SS*.THydrogen-bonded Turntrans-119.8-41.5-160.6-69.6177.6000116.1C88 R89C88-I92 WeakPolarHBondContact O-CG1 3.12Å; R89-I92 PolarHBondContact O-N 3.42Å
93R62.3Low70.2Confident174 Ų174110.4 Ų110.466%0.65754%0.541SS*.  trans159.5145.9165.9-175.1174.8-56.8-174.3-2.6112.7R89 D95 S96R89-R93 PolarHBondContact O-N 3.38Å; R89-R93 VanDerWaalsContact O-N 3.08Å; R93-D95 VanDerWaalsContact C-N 3.34Å; R93-D95 WeakPolarHBondContact CD-OD2 3.48Å; R93-D95 HydrophobicContact CG-CB 4.26Å; R93-D95 PolarHBondContact O-N 3.27Å; R93-S96 PolarHBondContact O-OG 3.41Å
94R59.9Low70.5Confident222 Ų222109 Ų10984%0.83854%0.541SS*.G310 helixtrans-60.8-31.9-179.2-100-175.6166.799.1-3115.1S96 L97R94-S96 PolarHBondContact O-N 2.89Å; R94-L97 PolarHBondContact O-N 3.23Å
95D59.4Low70.9Confident116 Ų116107.2 Ų107.262%0.6253%0.533SS*.G310 helixtrans-58.2-18-172.7-49.9-5.4000113.8R93 L97R93-D95 VanDerWaalsContact C-N 3.34Å; R93-D95 WeakPolarHBondContact CD-OD2 3.48Å; R93-D95 HydrophobicContact CG-CB 4.26Å; R93-D95 PolarHBondContact O-N 3.27Å; D95-L97 VanDerWaalsContact C-N 3.28Å; D95-L97 PolarHBondContact O-N 2.93Å
96S65.8Low71.6Confident28 Ų28110.3 Ų110.320%0.19654%0.544CS..G310 helixtrans-66.6-18.3178.154.50000114.8R89 R93 R94 L98 T99 N102R89-S96 WeakPolarHBondContact CD-OG 3.31Å; R93-S96 PolarHBondContact O-OG 3.41Å; R94-S96 PolarHBondContact O-N 2.89Å; S96-L98 VanDerWaalsContact C-N 3.28Å; S96-L98 PolarHBondContact O-N 2.96Å; S96-T99 WeakPolarHBondContact O-CG2 3.46Å; S96-T99 PolarHBondContact O-N 2.96Å; S96-T99 PolarHBondContact O-OG1 3.33Å; S96-N102 PolarHBondContact O-ND2 3.35Å
97L66.7Low72.7Confident121 Ų121111.7 Ų111.763%0.63455%0.55SS*.G310 helixtrans-65.3-27.2-177.7-70.4178.9000114.3R94 D95 T99 N102R94-L97 PolarHBondContact O-N 3.23Å; D95-L97 VanDerWaalsContact C-N 3.28Å; D95-L97 PolarHBondContact O-N 2.93Å; L97-T99 VanDerWaalsContact C-N 3.34Å; L97-N102 WeakPolarHBondContact O-CB 3.19Å
98L73.7Confident73.9Confident145 Ų145106 Ų10676%0.75954%0.535SS*.G310 helixtrans-91.313.7-179-66.9174.5000113.7S96 I103S96-L98 VanDerWaalsContact C-N 3.28Å; S96-L98 PolarHBondContact O-N 2.96Å; L98-I103 HydrophobicContact CD2-CD1 4.44Å; L98-I103 WeakPolarHBondContact O-CD1 3.47Å
99T82Confident75.6Confident56 Ų56103.4 Ų103.434%0.34452%0.515SS..SBendtrans-65.7145.3169.767.20000110.6S96 L97 E101 N102 I103S96-T99 WeakPolarHBondContact O-CG2 3.46Å; S96-T99 PolarHBondContact O-N 2.96Å; S96-T99 PolarHBondContact O-OG1 3.33Å; L97-T99 VanDerWaalsContact C-N 3.34Å; T99-E101 PolarHBondContact O-N 2.86Å; T99-E101 VanDerWaalsContact O-N 3.16Å; T99-N102 PolarHBondContact O-N 3.49Å; T99-N102 WeakPolarHBondContact OG1-CB 3.38Å; T99-N102 VanDerWaalsContact OG1-CG 3.27Å; T99-N102 PolarHBondContact OG1-N 3.46Å; T99-N102 PolarHBondContact OG1-ND2 3.33Å; T99-I103 PolarHBondContact O-N 3.21Å
100K85.3Confident77.2Confident188 Ų188104.5 Ų104.582%0.81753%0.529SS*.Hα-helixtrans-52.5-40.1-178.4-62.9-177.3-179.8-178.30112.4A104K100-A104 WeakPolarHBondContact O-CB 3.49Å; K100-A104 PolarHBondContact O-N 3.04Å
101E83.3Confident79.1Confident147 Ų147100.5 Ų100.569%0.68751%0.512SS*.Hα-helixtrans-62.6-45.5176.4-62.7169.9-179.100112.7T99 A104 T105T99-E101 PolarHBondContact O-N 2.86Å; T99-E101 VanDerWaalsContact O-N 3.16Å; E101-A104 PolarHBondContact O-N 3.07Å; E101-T105 WeakPolarHBondContact O-CG2 3.47Å; E101-T105 PolarHBondContact O-N 3.11Å; E101-T105 PolarHBondContact O-OG1 3.04Å
102N81.9Confident81.1Confident14 Ų1494 Ų948%0.07548%0.478CS..Hα-helixtrans-67.4-43.2179.2-73.7-15.6000110.7R89 S96 L97 T99 A104 T105 M106R89-N102 PolarHBondContact NH1-ND2 3.49Å; R89-N102 PolarHBondContact NH1-OD1 3.45Å; R89-N102 PolarHBondContact NH2-ND2 2.82Å; R89-N102 PolarHBondContact NH2-OD1 3.01Å; S96-N102 PolarHBondContact O-ND2 3.35Å; L97-N102 WeakPolarHBondContact O-CB 3.19Å; T99-N102 PolarHBondContact O-N 3.49Å; T99-N102 WeakPolarHBondContact OG1-CB 3.38Å; T99-N102 VanDerWaalsContact OG1-CG 3.27Å; T99-N102 PolarHBondContact OG1-N 3.46Å; T99-N102 PolarHBondContact OG1-ND2 3.33Å; N102-A104 VanDerWaalsContact C-N 3.32Å; N102-A104 PolarHBondContact O-N 3.09Å; N102-T105 PolarHBondContact O-N 3.3Å; N102-T105 PolarHBondContact O-OG1 3.49Å; N102-M106 VanDerWaalsContact O-CG 3.31Å; N102-M106 WeakPolarHBondContact O-CG 3.43Å; N102-M106 PolarHBondContact O-N 2.98Å
103I86.9Confident82.8Confident81 Ų8188.8 Ų88.842%0.41546%0.458SS..Hα-helixtrans-57.6-46.9173.6-63.6169.8000110.3L98 T99 T105 M106 V107L98-I103 HydrophobicContact CD2-CD1 4.44Å; L98-I103 WeakPolarHBondContact O-CD1 3.47Å; T99-I103 PolarHBondContact O-N 3.21Å; I103-T105 PolarHBondContact O-N 2.9Å; I103-M106 PolarHBondContact O-N 3Å; I103-V107 HydrophobicContact CG2-CG2 4.47Å; I103-V107 WeakPolarHBondContact O-CG2 3.39Å; I103-V107 PolarHBondContact O-N 3.36Å
104A89.7Confident84.4Confident53 Ų5386 Ų8644%0.43846%0.455SS..Hα-helixtrans-59.9-45.9177.400000112.6K100 E101 N102 M106 V107 V108K100-A104 WeakPolarHBondContact O-CB 3.49Å; K100-A104 PolarHBondContact O-N 3.04Å; E101-A104 PolarHBondContact O-N 3.07Å; N102-A104 VanDerWaalsContact C-N 3.32Å; N102-A104 PolarHBondContact O-N 3.09Å; A104-M106 VanDerWaalsContact C-N 3.35Å; A104-M106 PolarHBondContact O-N 2.9Å; A104-V107 PolarHBondContact O-N 3.42Å; A104-V108 WeakPolarHBondContact O-CG2 3.33Å; A104-V108 PolarHBondContact O-N 3.44Å
105T89Confident86.2Confident45 Ų4579.8 Ų79.828%0.27644%0.437SS..Hα-helixtrans-64.6-36.6176.657.60000112.6E101 N102 I103 V108 M109E101-T105 WeakPolarHBondContact O-CG2 3.47Å; E101-T105 PolarHBondContact O-N 3.11Å; E101-T105 PolarHBondContact O-OG1 3.04Å; N102-T105 PolarHBondContact O-N 3.3Å; N102-T105 PolarHBondContact O-OG1 3.49Å; I103-T105 PolarHBondContact O-N 2.9Å; T105-V108 PolarHBondContact O-N 3.21Å; T105-M109 WeakPolarHBondContact O-CB 3.38Å; T105-M109 VanDerWaalsContact O-CG 3.23Å; T105-M109 WeakPolarHBondContact O-CG 3.29Å; T105-M109 PolarHBondContact O-N 3.47Å
106M88.1Confident87.9Confident92 Ų9278 Ų7845%0.45342%0.424SS..Hα-helixtrans-66.9-41.3174.9-66.1-56.194.500111.9A82 N102 I103 A104 M109 V110A82-M106 HydrophobicContact CB-CE 4.05Å; N102-M106 VanDerWaalsContact O-CG 3.31Å; N102-M106 WeakPolarHBondContact O-CG 3.43Å; N102-M106 PolarHBondContact O-N 2.98Å; I103-M106 PolarHBondContact O-N 3Å; A104-M106 VanDerWaalsContact C-N 3.35Å; A104-M106 PolarHBondContact O-N 2.9Å; M106-M109 PolarHBondContact O-N 2.99Å; M106-V110 WeakPolarHBondContact O-CG2 3.27Å; M106-V110 PolarHBondContact O-N 3.17Å
107V93.4Very high89.4Confident87 Ų8784.3 Ų84.353%0.52745%0.448SS..Hα-helixtrans-61.2-45.9174.2170.90000110.9I103 A104 M109 V110 V111I103-V107 HydrophobicContact CG2-CG2 4.47Å; I103-V107 WeakPolarHBondContact O-CG2 3.39Å; I103-V107 PolarHBondContact O-N 3.36Å; A104-V107 PolarHBondContact O-N 3.42Å; V107-M109 PolarHBondContact O-N 3.47Å; V107-V110 PolarHBondContact O-N 3.48Å; V107-V111 HydrophobicContact CG1-CG2 4.46Å; V107-V111 WeakPolarHBondContact O-CG2 3.27Å; V107-V111 PolarHBondContact O-N 3.29Å
108V94.1Very high90.8Very high60 Ų6082.1 Ų82.136%0.36444%0.441SS..Hα-helixtrans-59.5-45.3175.4170.40000111.2V74 A104 T105 V110 V111 C112V74-V108 HydrophobicContact CG1-CG1 3.64Å; A104-V108 WeakPolarHBondContact O-CG2 3.33Å; A104-V108 PolarHBondContact O-N 3.44Å; T105-V108 PolarHBondContact O-N 3.21Å; V108-V110 PolarHBondContact O-N 3.19Å; V108-V111 PolarHBondContact O-N 2.93Å; V108-C112 WeakPolarHBondContact O-CB 3.23Å; V108-C112 PolarHBondContact O-N 2.9Å; V108-C112 PolarHBondContact O-SG 2.92Å; V108-C112 VanDerWaalsContact O-SG 3.4Å
109M93.7Very high91.9Very high24 Ų2476.2 Ų76.212%0.11841%0.411CS..Hα-helixtrans-60.3-43177.2-76.1-65.3-74.600112.9F75 C78 L79 T105 M106 V107 G113F75-M109 HydrophobicContact CB-SD 4.41Å; F75-M109 HydrophobicContact CD1-CE 4.01Å; F75-M109 HydrophobicContact CD2-CE 3.53Å; F75-M109 HydrophobicContact CD2-SD 3.66Å; F75-M109 HydrophobicContact CE1-CE 3.81Å; F75-M109 HydrophobicContact CE2-CE 3.32Å; F75-M109 HydrophobicContact CE2-SD 4.04Å; F75-M109 HydrophobicContact CG-CE 3.88Å; F75-M109 HydrophobicContact CG-SD 3.99Å; F75-M109 HydrophobicContact CZ-CE 3.47Å; F75-M109 VanDerWaalsContact CZ-CE 3.47Å; C78-M109 HydrophobicContact CB-CG 3.71Å; C78-M109 HydrophobicContact CB-SD 3.35Å; C78-M109 WeakPolarHBondContact CB-SD 3.42Å; L79-M109 HydrophobicContact CB-CE 3.74Å; L79-M109 HydrophobicContact CD1-CE 4.24Å; L79-M109 HydrophobicContact CG-CE 4.5Å; T105-M109 WeakPolarHBondContact O-CB 3.38Å; T105-M109 VanDerWaalsContact O-CG 3.23Å; T105-M109 WeakPolarHBondContact O-CG 3.29Å; T105-M109 PolarHBondContact O-N 3.47Å; M106-M109 PolarHBondContact O-N 2.99Å; V107-M109 PolarHBondContact O-N 3.47Å; M109-G113 PolarHBondContact O-N 2.98Å
110V95.7Very high92.7Very high91 Ų9176 Ų7655%0.55241%0.409SS*.Hα-helixtrans-64.6-45.8176.4170.20000110.8M106 V107 V108 G113 L114M106-V110 WeakPolarHBondContact O-CG2 3.27Å; M106-V110 PolarHBondContact O-N 3.17Å; V107-V110 PolarHBondContact O-N 3.48Å; V108-V110 PolarHBondContact O-N 3.19Å; V110-G113 PolarHBondContact O-N 3.24Å; V110-L114 HydrophobicContact CG1-CD1 3.88Å; V110-L114 HydrophobicContact CG1-CG 4.38Å; V110-L114 WeakPolarHBondContact O-CB 3.29Å; V110-L114 VanDerWaalsContact O-CG 3.29Å; V110-L114 WeakPolarHBondContact O-CG 3.5Å; V110-L114 PolarHBondContact O-N 3.49Å
111V96.5Very high93.2Very high80 Ų8069.2 Ų69.249%0.48539%0.393SS..Hα-helixtrans-62.6-46.3177.8172.20000111.3V107 V108 G113 L114 M115V107-V111 HydrophobicContact CG1-CG2 4.46Å; V107-V111 WeakPolarHBondContact O-CG2 3.27Å; V107-V111 PolarHBondContact O-N 3.29Å; V108-V111 PolarHBondContact O-N 2.93Å; V111-G113 PolarHBondContact O-N 3.44Å; V111-L114 PolarHBondContact O-N 3.31Å; V111-M115 HydrophobicContact CG1-CG 4.46Å; V111-M115 WeakPolarHBondContact O-CB 3.47Å; V111-M115 VanDerWaalsContact O-CG 3.29Å; V111-M115 WeakPolarHBondContact O-CG 3.32Å; V111-M115 PolarHBondContact O-N 2.76Å
112C96.6Very high93.9Very high15 Ų1565.6 Ų65.610%0.10138%0.378CS..Hα-helixtrans-60.8-42.9175.3-73.90000112I71 F75 V108 M115 F116I71-C112 HydrophobicContact CG2-CB 4.26Å; I71-C112 WeakPolarHBondContact CG2-O 3.39Å; F75-C112 HydrophobicContact CB-CB 4.18Å; F75-C112 HydrophobicContact CD2-CB 4.03Å; V108-C112 WeakPolarHBondContact O-CB 3.23Å; V108-C112 PolarHBondContact O-N 2.9Å; V108-C112 PolarHBondContact O-SG 2.92Å; V108-C112 VanDerWaalsContact O-SG 3.4Å; C112-M115 PolarHBondContact O-N 2.84Å; C112-F116 WeakPolarHBondContact O-CB 3.1Å; C112-F116 PolarHBondContact O-N 3.27Å
113G94.8Very high94.7Very high26 Ų2665.3 Ų65.327%0.26838%0.377SS..Hα-helixtrans-64.1-41.9177.300000113.5M109 V110 V111 F116M109-G113 PolarHBondContact O-N 2.98Å; V110-G113 PolarHBondContact O-N 3.24Å; V111-G113 PolarHBondContact O-N 3.44Å; G113-F116 WeakPolarHBondContact O-CB 3.45Å; G113-F116 PolarHBondContact O-N 3.07Å
114L96.7Very high95.2Very high114 Ų11463 Ų6360%0.59737%0.373SS*.Hα-helixtrans-66.7-37.2175.7-70.6172.1000112.4V110 V111 P118V110-L114 HydrophobicContact CG1-CD1 3.88Å; V110-L114 HydrophobicContact CG1-CG 4.38Å; V110-L114 WeakPolarHBondContact O-CB 3.29Å; V110-L114 VanDerWaalsContact O-CG 3.29Å; V110-L114 WeakPolarHBondContact O-CG 3.5Å; V110-L114 PolarHBondContact O-N 3.49Å; V111-L114 PolarHBondContact O-N 3.31Å; L114-P118 WeakPolarHBondContact O-CD 3.44Å
115M96.4Very high95.6Very high93 Ų9364 Ų6446%0.45837%0.368SS..Hα-helixtrans-81.2-16.7179-65.4-61.311000113.7I71 V111 C112 P118 V119I71-M115 HydrophobicContact CD1-CB 4.11Å; V111-M115 HydrophobicContact CG1-CG 4.46Å; V111-M115 WeakPolarHBondContact O-CB 3.47Å; V111-M115 VanDerWaalsContact O-CG 3.29Å; V111-M115 WeakPolarHBondContact O-CG 3.32Å; V111-M115 PolarHBondContact O-N 2.76Å; C112-M115 PolarHBondContact O-N 2.84Å; M115-P118 WeakPolarHBondContact O-CD 3.06Å; M115-P118 WeakPolarHBondContact O-CG 3.3Å; M115-V119 WeakPolarHBondContact O-CB 3.46Å; M115-V119 VanDerWaalsContact O-CG2 3.29Å; M115-V119 WeakPolarHBondContact O-CG2 3.27Å; M115-V119 PolarHBondContact O-N 2.05Å
116F96.6Very high96Very high79 Ų7961.9 Ų61.935%0.34636%0.355SS..Hα-helixtrans-57-58.6-176.9177.4-97.5000112.7I71 V72 C112 G113 V119 V120I71-F116 HydrophobicContact CG2-CB 4.35Å; I71-F116 HydrophobicContact CG2-CD2 4.41Å; V72-F116 HydrophobicContact CG2-CD2 4.36Å; V72-F116 HydrophobicContact CG2-CE2 3.94Å; C112-F116 WeakPolarHBondContact O-CB 3.1Å; C112-F116 PolarHBondContact O-N 3.27Å; G113-F116 WeakPolarHBondContact O-CB 3.45Å; G113-F116 PolarHBondContact O-N 3.07Å; F116-V119 PolarHBondContact O-N 2.81Å; F116-V120 HydrophobicContact CD2-CG2 3.82Å; F116-V120 HydrophobicContact CE2-CG2 3.78Å; F116-V120 HydrophobicContact CG-CG2 4.39Å; F116-V120 HydrophobicContact CZ-CG2 4.31Å; F116-V120 VanDerWaalsContact O-CB 3.27Å; F116-V120 WeakPolarHBondContact O-CB 3.15Å; F116-V120 WeakPolarHBondContact O-CG2 3.25Å; F116-V120 PolarHBondContact O-N 2.94Å
117F95.9Very high96.5Very high160 Ų16061.4 Ų61.470%0.70235%0.353SS*.Hα-helixtrans-58.6-50.4-176.5-66.5-77.3000114.2G121F117-G121 WeakPolarHBondContact O-CA 3.27Å; F117-G121 PolarHBondContact O-N 3.28Å
118P97.2Very high96.6Very high75 Ų7560 Ų6049%0.48735%0.345SS..Hα-helixtrans-66.8-41.3179.924.4-33.4000112.9L114 M115 L122L114-P118 WeakPolarHBondContact O-CD 3.44Å; M115-P118 WeakPolarHBondContact O-CD 3.06Å; M115-P118 WeakPolarHBondContact O-CG 3.3Å; P118-L122 VanDerWaalsContact O-CB 3.23Å; P118-L122 WeakPolarHBondContact O-CB 3.32Å; P118-L122 PolarHBondContact O-N 3.41Å
119V97.3Very high96.7Very high21 Ų2157.3 Ų57.313%0.12733%0.329CS..Hα-helixtrans-74-45.3-176.2177.30000111.9L67 I71 M115 F116 L122 T123L67-V119 HydrophobicContact CB-CG1 4.4Å; L67-V119 HydrophobicContact CD2-CG1 3.79Å; L67-V119 HydrophobicContact CD2-CG2 4.2Å; L67-V119 HydrophobicContact CG-CG1 3.92Å; I71-V119 HydrophobicContact CD1-CB 3.88Å; I71-V119 HydrophobicContact CD1-CG1 3.88Å; I71-V119 HydrophobicContact CD1-CG2 3.92Å; M115-V119 WeakPolarHBondContact O-CB 3.46Å; M115-V119 VanDerWaalsContact O-CG2 3.29Å; M115-V119 WeakPolarHBondContact O-CG2 3.27Å; M115-V119 PolarHBondContact O-N 2.05Å; F116-V119 PolarHBondContact O-N 2.81Å; V119-L122 PolarHBondContact O-N 3.45Å; V119-T123 WeakPolarHBondContact O-CB 3.45Å; V119-T123 PolarHBondContact O-N 2.97Å; V119-T123 PolarHBondContact O-OG1 2.88Å
120V97Very high96.9Very high50 Ų5056.4 Ų56.430%0.30332%0.324SS..Hα-helixtrans-69.9-37.4178.4178.60000110.6F116 T123 G124F116-V120 HydrophobicContact CD2-CG2 3.82Å; F116-V120 HydrophobicContact CE2-CG2 3.78Å; F116-V120 HydrophobicContact CG-CG2 4.39Å; F116-V120 HydrophobicContact CZ-CG2 4.31Å; F116-V120 VanDerWaalsContact O-CB 3.27Å; F116-V120 WeakPolarHBondContact O-CB 3.15Å; F116-V120 WeakPolarHBondContact O-CG2 3.25Å; F116-V120 PolarHBondContact O-N 2.94Å; V120-T123 PolarHBondContact O-N 3.44Å; V120-G124 PolarHBondContact O-N 3.23Å
121G97.3Very high96.9Very high46 Ų4653.7 Ų53.747%0.47431%0.31SS..Hα-helixtrans-60.9-47.4173.200000112.8F117 T123 G124 F125F117-G121 WeakPolarHBondContact O-CA 3.27Å; F117-G121 PolarHBondContact O-N 3.28Å; G121-T123 VanDerWaalsContact C-N 3.31Å; G121-T123 PolarHBondContact O-N 3Å; G121-G124 PolarHBondContact O-N 3.07Å; G121-F125 PolarHBondContact O-N 3Å
122L97.5Very high96.7Very high71 Ų7156.4 Ų56.437%0.37231%0.311SS..Hα-helixtrans-60.9-40174.2-17962.1000111.7L64 P118 V119 F125 H126L64-L122 HydrophobicContact CD1-CD2 4.34Å; L64-L122 HydrophobicContact CD1-CG 4.05Å; L64-L122 HydrophobicContact CD2-CD2 3.75Å; L64-L122 HydrophobicContact CD2-CG 4.2Å; P118-L122 VanDerWaalsContact O-CB 3.23Å; P118-L122 WeakPolarHBondContact O-CB 3.32Å; P118-L122 PolarHBondContact O-N 3.41Å; V119-L122 PolarHBondContact O-N 3.45Å; L122-F125 HydrophobicContact CD1-CD1 4.43Å; L122-F125 WeakPolarHBondContact O-CB 3.16Å; L122-F125 PolarHBondContact O-N 3.39Å; L122-H126 PolarHBondContact O-CD2 2.88Å; L122-H126 PolarHBondContact O-N 3.05Å
123T98.1Very high96.6Very high8 Ų856.2 Ų56.25%0.04931%0.312CS..Hα-helixtrans-65-45.3177.9-58.20000111.7L64 L65 S68 V119 V120 G121 F125 H126 I127L64-T123 HydrophobicContact CB-CG2 4.42Å; L64-T123 PolarHBondContact O-OG1 3.44Å; L65-T123 HydrophobicContact CD2-CG2 3.87Å; S68-T123 WeakPolarHBondContact OG-CB 3.38Å; S68-T123 PolarHBondContact OG-OG1 2.99Å; V119-T123 WeakPolarHBondContact O-CB 3.45Å; V119-T123 PolarHBondContact O-N 2.97Å; V119-T123 PolarHBondContact O-OG1 2.88Å; V120-T123 PolarHBondContact O-N 3.44Å; G121-T123 VanDerWaalsContact C-N 3.31Å; G121-T123 PolarHBondContact O-N 3Å; T123-F125 VanDerWaalsContact C-N 3.32Å; T123-F125 PolarHBondContact O-N 3.33Å; T123-H126 PolarHBondContact O-N 2.86Å; T123-I127 HydrophobicContact CG2-CD1 4.08Å; T123-I127 VanDerWaalsContact O-CG1 3.3Å; T123-I127 WeakPolarHBondContact O-CG1 3.38Å; T123-I127 PolarHBondContact O-N 3.35Å
124G98Very high96.6Very high33 Ų3357.7 Ų57.734%0.3431%0.309SS..Hα-helixtrans-61.7-37.2173.800000113.4V120 G121 T128V120-G124 PolarHBondContact O-N 3.23Å; G121-G124 PolarHBondContact O-N 3.07Å; G124-T128 WeakPolarHBondContact O-CB 3.44Å; G124-T128 PolarHBondContact O-N 3.44Å; G124-T128 VanDerWaalsContact O-N 3.08Å; G124-T128 PolarHBondContact O-OG1 2.96Å
125F98Very high96.6Very high73 Ų7352.7 Ų52.732%0.3228%0.284SS..Hα-helixtrans-62.8-48.1171.9175.2-106.7000111.8G121 L122 T123 I127 T128 L129 T136 Q139G121-F125 PolarHBondContact O-N 3Å; L122-F125 HydrophobicContact CD1-CD1 4.43Å; L122-F125 WeakPolarHBondContact O-CB 3.16Å; L122-F125 PolarHBondContact O-N 3.39Å; T123-F125 VanDerWaalsContact C-N 3.32Å; T123-F125 PolarHBondContact O-N 3.33Å; F125-I127 PolarHBondContact O-N 2.82Å; F125-T128 WeakPolarHBondContact O-CA 3.39Å; F125-T128 VanDerWaalsContact O-CB 3.28Å; F125-T128 WeakPolarHBondContact O-CB 3.43Å; F125-T128 PolarHBondContact O-N 2.81Å; F125-T128 VanDerWaalsContact O-N 3.11Å; F125-L129 HydrophobicContact CD1-CD1 3.99Å; F125-L129 HydrophobicContact CD1-CG 4.43Å; F125-L129 HydrophobicContact CE1-CD1 3.41Å; F125-L129 VanDerWaalsContact CE1-CD1 3.41Å; F125-L129 HydrophobicContact CE1-CG 4.07Å; F125-L129 HydrophobicContact CE2-CD1 4.49Å; F125-L129 HydrophobicContact CE2-CD2 4.32Å; F125-L129 HydrophobicContact CE2-CG 4.33Å; F125-L129 HydrophobicContact CZ-CD1 3.71Å; F125-L129 HydrophobicContact CZ-CD2 4.09Å; F125-L129 HydrophobicContact CZ-CG 4.02Å; F125-L129 PolarHBondContact O-N 2.85Å; F125-T136 HydrophobicContact CE1-CG2 4.03Å; F125-T136 HydrophobicContact CZ-CG2 4.32Å; F125-Q139 HydrophobicContact CE2-CG 4.29Å; F125-Q139 HydrophobicContact CZ-CG 4.39Å
126H98Very high96.7Very high2 Ų249.3 Ų49.31%0.00927%0.268CS..Hα-helixtrans-66.6-35.8177.9-83.8-78.6000113.4D42 Y57 F60 F61 L64 L122 T123 T128 L129 V130 T136D42-H126 IonicContact OD2-CE1 2.71Å; Y57-H126 AromaticContact CE2-ND1 3.91Å; Y57-H126 AromaticContact CZ-ND1 3.74Å; Y57-H126 PolarHBondContact OH-ND1 3.47Å; F60-H126 AromaticContact CE1-CE1 3.66Å; F60-H126 AromaticContact CE1-NE2 3.62Å; F61-H126 HydrophobicContact CD2-CB 4.12Å; F61-H126 HydrophobicContact CE2-CB 4.18Å; L64-H126 HydrophobicContact CD1-CB 4.08Å; L64-H126 VanDerWaalsContact CD1-CD2 3.49Å; L64-H126 WeakPolarHBondContact CD1-CD2 3.39Å; L122-H126 PolarHBondContact O-CD2 2.88Å; L122-H126 PolarHBondContact O-N 3.05Å; T123-H126 PolarHBondContact O-N 2.86Å; H126-T128 VanDerWaalsContact C-N 3.26Å; H126-T128 PolarHBondContact O-N 2.95Å; H126-L129 PolarHBondContact O-N 3.21Å; H126-V130 VanDerWaalsContact O-CG2 3.3Å; H126-V130 WeakPolarHBondContact O-CG2 3.5Å; H126-V130 PolarHBondContact O-N 3.09Å; H126-T136 PolarHBondContact CE1-OG1 3.27Å
127I97.5Very high96.6Very high81 Ų8146.5 Ų46.542%0.41526%0.257SS..Hα-helixtrans-58.2-42170.4-69.7163.7000110.4F61 L65 T123 F125 V130 S131F61-I127 HydrophobicContact CE2-CG1 4.08Å; F61-I127 HydrophobicContact CZ-CG1 4.02Å; L65-I127 HydrophobicContact CD2-CD1 4.22Å; T123-I127 HydrophobicContact CG2-CD1 4.08Å; T123-I127 VanDerWaalsContact O-CG1 3.3Å; T123-I127 WeakPolarHBondContact O-CG1 3.38Å; T123-I127 PolarHBondContact O-N 3.35Å; F125-I127 PolarHBondContact O-N 2.82Å; I127-V130 PolarHBondContact O-N 3.44Å; I127-S131 WeakPolarHBondContact O-CB 3.29Å; I127-S131 PolarHBondContact O-N 3Å; I127-S131 PolarHBondContact O-OG 3.27Å; I127-S131 VanDerWaalsContact O-OG 3.1Å
128T96.4Very high96.6Very high59 Ų5939 Ų3936%0.36222%0.224SC..Hα-helixtrans-65.6-38.1176.9-59.70000112.7G124 F125 H126 S131 R132G124-T128 WeakPolarHBondContact O-CB 3.44Å; G124-T128 PolarHBondContact O-N 3.44Å; G124-T128 VanDerWaalsContact O-N 3.08Å; G124-T128 PolarHBondContact O-OG1 2.96Å; F125-T128 WeakPolarHBondContact O-CA 3.39Å; F125-T128 VanDerWaalsContact O-CB 3.28Å; F125-T128 WeakPolarHBondContact O-CB 3.43Å; F125-T128 PolarHBondContact O-N 2.81Å; F125-T128 VanDerWaalsContact O-N 3.11Å; H126-T128 VanDerWaalsContact C-N 3.26Å; H126-T128 PolarHBondContact O-N 2.95Å; T128-S131 PolarHBondContact O-OG 3.5Å; T128-R132 PolarHBondContact O-N 3.1Å
129L96.7Very high96.5Very high3 Ų338.9 Ų38.92%0.01622%0.217CC..Hα-helixtrans-67.6-47.5174.8-71.7-177.5000112.3F125 H126 R132 G133 R134 T136 Q139F125-L129 HydrophobicContact CD1-CD1 3.99Å; F125-L129 HydrophobicContact CD1-CG 4.43Å; F125-L129 HydrophobicContact CE1-CD1 3.41Å; F125-L129 VanDerWaalsContact CE1-CD1 3.41Å; F125-L129 HydrophobicContact CE1-CG 4.07Å; F125-L129 HydrophobicContact CE2-CD1 4.49Å; F125-L129 HydrophobicContact CE2-CD2 4.32Å; F125-L129 HydrophobicContact CE2-CG 4.33Å; F125-L129 HydrophobicContact CZ-CD1 3.71Å; F125-L129 HydrophobicContact CZ-CD2 4.09Å; F125-L129 HydrophobicContact CZ-CG 4.02Å; F125-L129 PolarHBondContact O-N 2.85Å; H126-L129 PolarHBondContact O-N 3.21Å; L129-R132 CarbonylContact O-C 3.57Å; L129-R132 PolarHBondContact O-N 2.87Å; L129-R132 VanDerWaalsContact O-N 3.17Å; L129-G133 PolarHBondContact O-N 3.32Å; L129-R134 HydrophobicContact CD2-CB 4.18Å; L129-R134 PolarHBondContact O-N 3.2Å; L129-T136 VanDerWaalsContact CD1-OG1 3.3Å; L129-T136 WeakPolarHBondContact CD1-OG1 3.44Å; L129-Q139 HydrophobicContact CD2-CB 3.7Å; L129-Q139 HydrophobicContact CD2-CG 3.96Å
130V96.5Very high96.4Very high5 Ų543 Ų433%0.0324%0.241CC..Hα-helixtrans-60.2-50.3179172.20000110.4Y57 F61 H126 I127 R132 G133 N158 V159 V162Y57-V130 HydrophobicContact CE1-CG2 3.71Å; F61-V130 HydrophobicContact CD2-CG2 4.05Å; F61-V130 HydrophobicContact CE2-CG2 3.85Å; F61-V130 HydrophobicContact CZ-CG2 4.21Å; H126-V130 VanDerWaalsContact O-CG2 3.3Å; H126-V130 WeakPolarHBondContact O-CG2 3.5Å; H126-V130 PolarHBondContact O-N 3.09Å; I127-V130 PolarHBondContact O-N 3.44Å; V130-R132 PolarHBondContact O-N 3.05Å; V130-R132 VanDerWaalsContact O-N 3.11Å; V130-G133 PolarHBondContact O-N 3.45Å; V130-N158 WeakPolarHBondContact O-CB 3.5Å; V130-V159 HydrophobicContact CG1-CB 4.37Å; V130-V159 HydrophobicContact CG1-CG2 3.84Å; V130-V162 HydrophobicContact CG1-CB 4.09Å; V130-V162 HydrophobicContact CG1-CG1 4.49Å; V130-V162 HydrophobicContact CG1-CG2 3.94Å; V130-V162 HydrophobicContact CG2-CG1 4.31Å; V130-V162 HydrophobicContact CG2-CG2 4.19Å
131S95.3Very high96.1Very high34 Ų3444.5 Ų44.524%0.23825%0.251CS..Hα-helixtrans-56.3-31.1177.458.80000113.5I127 T128 W155 N158I127-S131 WeakPolarHBondContact O-CB 3.29Å; I127-S131 PolarHBondContact O-N 3Å; I127-S131 PolarHBondContact O-OG 3.27Å; I127-S131 VanDerWaalsContact O-OG 3.1Å; T128-S131 PolarHBondContact O-OG 3.5Å; S131-W155 WeakPolarHBondContact O-CA 3.34Å; S131-N158 PolarHBondContact O-ND2 2.85Å
132R93.7Very high95.9Very high136 Ų13643.1 Ų43.151%0.51324%0.237SC..THydrogen-bonded Turntrans-93-1.2178.4-71.9177.5162.579.2-4.8114.8T128 L129 V130 R134 N149T128-R132 PolarHBondContact O-N 3.1Å; L129-R132 CarbonylContact O-C 3.57Å; L129-R132 PolarHBondContact O-N 2.87Å; L129-R132 VanDerWaalsContact O-N 3.17Å; V130-R132 PolarHBondContact O-N 3.05Å; V130-R132 VanDerWaalsContact O-N 3.11Å; R132-R134 VanDerWaalsContact C-N 3.3Å; R132-R134 HydrophobicContact CB-CG 4.32Å; R132-R134 PolarHBondContact O-N 3.26Å; R132-N149 PolarHBondContact O-ND2 3.1Å
133G94.5Very high95.4Very high12 Ų1244.3 Ų44.312%0.12424%0.239CC..THydrogen-bonded Turntrans64.827.2-178.800000114.3R27 L129 V130 N149 N158R27-G133 PolarHBondContact NH2-O 3.43Å; L129-G133 PolarHBondContact O-N 3.32Å; V130-G133 PolarHBondContact O-N 3.45Å; G133-N149 VanDerWaalsContact C-ND2 3.34Å; G133-N149 PolarHBondContact O-ND2 3.36Å; G133-N158 PolarHBondContact N-ND2 2.72Å
134R95Very high94.8Very high57 Ų5744.9 Ų44.922%0.21524%0.241CC..  trans-109152-175.7-68-179.2179.6-173.5-4.6111.8L129 R132 E138 F144L129-R134 HydrophobicContact CD2-CB 4.18Å; L129-R134 PolarHBondContact O-N 3.2Å; R132-R134 VanDerWaalsContact C-N 3.3Å; R132-R134 HydrophobicContact CB-CG 4.32Å; R132-R134 PolarHBondContact O-N 3.26Å; R134-E138 WeakPolarHBondContact CA-OE2 3.44Å; R134-F144 PolarHBondContact NH2-O 3.36Å; R134-F144 VanDerWaalsContact NH2-O 3.16Å
135T96.3Very high93.9Very high9 Ų953.5 Ų53.56%0.05526%0.263CS..  trans-90.4161.6164.475.10000111.6F41 D42 N137 E138 Q139F41-T135 PolarHBondContact O-OG1 2.93Å; D42-T135 VanDerWaalsContact OD1-CA 3.22Å; D42-T135 WeakPolarHBondContact OD1-CA 3.21Å; D42-T135 VanDerWaalsContact OD1-CB 3.26Å; D42-T135 WeakPolarHBondContact OD1-CB 3.37Å; T135-N137 PolarHBondContact O-N 3.2Å; T135-E138 PolarHBondContact N-OE2 3.41Å; T135-E138 WeakPolarHBondContact O-CB 3.47Å; T135-E138 PolarHBondContact O-N 3.36Å; T135-E138 VanDerWaalsContact O-N 3.15Å; T135-E138 WeakPolarHBondContact OG1-CG 3.33Å; T135-E138 PolarHBondContact OG1-N 3.41Å; T135-Q139 PolarHBondContact O-N 3.37Å
136T97.3Very high93Very high21 Ų2157.9 Ų57.913%0.12929%0.29CS..Hα-helixtrans-54.6-51.5172.4-57.40000110.6D42 F125 H126 L129 E138 Q139 V140D42-T136 PolarHBondContact OD1-N 3.11Å; D42-T136 PolarHBondContact OD1-OG1 3.34Å; D42-T136 WeakPolarHBondContact OD2-CB 3.2Å; D42-T136 PolarHBondContact OD2-OG1 3.3Å; F125-T136 HydrophobicContact CE1-CG2 4.03Å; F125-T136 HydrophobicContact CZ-CG2 4.32Å; H126-T136 PolarHBondContact CE1-OG1 3.27Å; L129-T136 VanDerWaalsContact CD1-OG1 3.3Å; L129-T136 WeakPolarHBondContact CD1-OG1 3.44Å; T136-E138 VanDerWaalsContact C-N 3.31Å; T136-E138 PolarHBondContact O-N 3.05Å; T136-Q139 PolarHBondContact O-N 2.92Å; T136-Q139 VanDerWaalsContact O-N 3.08Å; T136-V140 HydrophobicContact CG2-CG1 4.14Å; T136-V140 WeakPolarHBondContact O-CG1 3.36Å; T136-V140 WeakPolarHBondContact O-CG2 3.3Å; T136-V140 PolarHBondContact O-N 3.37Å
137N96Very high92.1Very high20 Ų2060 Ų6011%0.10731%0.312CS..Hα-helixtrans-48-48.3172.5177.121.6000112.6S29 F41 D42 T135 T141 K143S29-N137 PolarHBondContact OG-ND2 2.86Å; S29-N137 VanDerWaalsContact OG-ND2 3.15Å; F41-N137 HydrophobicContact CD1-CB 4.07Å; F41-N137 VanDerWaalsContact O-CB 3.31Å; F41-N137 WeakPolarHBondContact O-CB 3.3Å; F41-N137 PolarHBondContact O-ND2 3.42Å; D42-N137 WeakPolarHBondContact O-CB 3.24Å; D42-N137 PolarHBondContact O-N 3.28Å; T135-N137 PolarHBondContact O-N 3.2Å; N137-T141 WeakPolarHBondContact O-CB 3.45Å; N137-T141 WeakPolarHBondContact O-CG2 3.36Å; N137-T141 PolarHBondContact O-N 3.42Å; N137-T141 PolarHBondContact O-OG1 3.17Å; N137-K143 PolarHBondContact ND2-NZ 2.9Å; N137-K143 PolarHBondContact OD1-NZ 2.93Å
138E95.2Very high91.5Very high4 Ų461.4 Ų61.42%0.01932%0.324CS..Hα-helixtrans-64.8-37.7178.5-75.7153.9-170.800114R27 R134 T135 T136 G142 K143 F144R27-E138 WeakPolarHBondContact CB-OE1 3.36Å; R27-E138 VanDerWaalsContact CG-OE1 3.26Å; R27-E138 WeakPolarHBondContact CG-OE1 3.41Å; R27-E138 IonicContact CZ-OE1 3.23Å; R27-E138 IonicContact CZ-OE2 3.65Å; R27-E138 IonicContact NE-OE1 3.49Å; R27-E138 PolarHBondContact NE-OE1 2.99Å; R27-E138 IonicContact NE-OE2 3.74Å; R27-E138 IonicContact NH2-OE1 3.59Å; R27-E138 PolarHBondContact NH2-OE1 3.36Å; R27-E138 IonicContact NH2-OE2 3.51Å; R27-E138 PolarHBondContact NH2-OE2 2.84Å; R134-E138 WeakPolarHBondContact CA-OE2 3.44Å; T135-E138 PolarHBondContact N-OE2 3.41Å; T135-E138 WeakPolarHBondContact O-CB 3.47Å; T135-E138 PolarHBondContact O-N 3.36Å; T135-E138 VanDerWaalsContact O-N 3.15Å; T135-E138 WeakPolarHBondContact OG1-CG 3.33Å; T135-E138 PolarHBondContact OG1-N 3.41Å; T136-E138 VanDerWaalsContact C-N 3.31Å; T136-E138 PolarHBondContact O-N 3.05Å; E138-G142 PolarHBondContact O-N 3.48Å; E138-K143 HydrophobicContact CB-CD 4.39Å; E138-K143 HydrophobicContact CG-CD 3.77Å; E138-K143 PolarHBondContact O-N 2.65Å; E138-K143 VanDerWaalsContact O-N 3.13Å; E138-F144 HydrophobicContact CB-CD2 4.33Å; E138-F144 HydrophobicContact CB-CE2 3.99Å; E138-F144 HydrophobicContact CG-CE2 3.77Å; E138-F144 HydrophobicContact CG-CZ 4.46Å
139Q95.2Very high91.2Very high71 Ų7159 Ų5933%0.33231%0.309SS..Hα-helixtrans-70.6-49.9177.5-17674.7-16.600111.4F125 L129 T135 T136 G142F125-Q139 HydrophobicContact CE2-CG 4.29Å; F125-Q139 HydrophobicContact CZ-CG 4.39Å; L129-Q139 HydrophobicContact CD2-CB 3.7Å; L129-Q139 HydrophobicContact CD2-CG 3.96Å; T135-Q139 PolarHBondContact O-N 3.37Å; T136-Q139 PolarHBondContact O-N 2.92Å; T136-Q139 VanDerWaalsContact O-N 3.08Å; Q139-G142 PolarHBondContact O-N 2.87Å
140V94.3Very high91Very high107 Ų10759.2 Ų59.265%0.64831%0.311SS*.Hα-helixtrans-71.4-34.7-176.4-56.10000112.8T136 G142T136-V140 HydrophobicContact CG2-CG1 4.14Å; T136-V140 WeakPolarHBondContact O-CG1 3.36Å; T136-V140 WeakPolarHBondContact O-CG2 3.3Å; T136-V140 PolarHBondContact O-N 3.37Å; V140-G142 VanDerWaalsContact C-N 3.27Å
141T92.6Very high90.7Very high82 Ų8260.5 Ų60.550%0.50332%0.316SS..THydrogen-bonded Turntrans-83.1-3.6173.761.30000113.2N137 K143N137-T141 WeakPolarHBondContact O-CB 3.45Å; N137-T141 WeakPolarHBondContact O-CG2 3.36Å; N137-T141 PolarHBondContact O-N 3.42Å; N137-T141 PolarHBondContact O-OG1 3.17Å; T141-K143 VanDerWaalsContact C-N 3.31Å; T141-K143 PolarHBondContact O-N 2.87Å; T141-K143 VanDerWaalsContact OG1-CE 3.28Å; T141-K143 WeakPolarHBondContact OG1-CE 3.29Å; T141-K143 WeakPolarHBondContact OG1-CG 3.46Å
142G91.5Very high90.5Very high18 Ų1861.3 Ų61.319%0.18632%0.32CS..THydrogen-bonded Turntrans65.824.7173.700000115.5E138 Q139 V140 F144 R145E138-G142 PolarHBondContact O-N 3.48Å; Q139-G142 PolarHBondContact O-N 2.87Å; V140-G142 VanDerWaalsContact C-N 3.27Å; G142-F144 PolarHBondContact O-N 3.02Å; G142-R145 WeakPolarHBondContact O-CB 3.31Å; G142-R145 WeakPolarHBondContact O-CG 3.31Å; G142-R145 PolarHBondContact O-N 3.42Å
143K86.8Confident90.2Very high96 Ų9659.5 Ų59.542%0.41732%0.32SS..THydrogen-bonded Turntrans-53.1-27.5-173.8-73.9171.3-164.9158.30114.3N137 E138 T141N137-K143 PolarHBondContact ND2-NZ 2.9Å; N137-K143 PolarHBondContact OD1-NZ 2.93Å; E138-K143 HydrophobicContact CB-CD 4.39Å; E138-K143 HydrophobicContact CG-CD 3.77Å; E138-K143 PolarHBondContact O-N 2.65Å; E138-K143 VanDerWaalsContact O-N 3.13Å; T141-K143 VanDerWaalsContact C-N 3.31Å; T141-K143 PolarHBondContact O-N 2.87Å; T141-K143 VanDerWaalsContact OG1-CE 3.28Å; T141-K143 WeakPolarHBondContact OG1-CE 3.29Å; T141-K143 WeakPolarHBondContact OG1-CG 3.46Å
144F85.8Confident90.1Very high19 Ų1960.8 Ų60.88%0.08333%0.333CS..THydrogen-bonded Turntrans-12337.9179.4-45-63.5000112.1F12 R134 E138 G142 N149 P150 F151F12-F144 HydrophobicContact CE1-CE1 4.31Å; F12-F144 HydrophobicContact CZ-CE1 4.21Å; R134-F144 PolarHBondContact NH2-O 3.36Å; R134-F144 VanDerWaalsContact NH2-O 3.16Å; E138-F144 HydrophobicContact CB-CD2 4.33Å; E138-F144 HydrophobicContact CB-CE2 3.99Å; E138-F144 HydrophobicContact CG-CE2 3.77Å; E138-F144 HydrophobicContact CG-CZ 4.46Å; G142-F144 PolarHBondContact O-N 3.02Å; F144-N149 HydrophobicContact CD2-CB 4.24Å; F144-N149 HydrophobicContact CG-CB 4.32Å; F144-P150 HydrophobicContact CE1-CG 4.47Å; F144-F151 HydrophobicContact CE1-CE2 4.49Å; F144-F151 HydrophobicContact CE2-CD2 4.43Å; F144-F151 AromaticContact CZ-CD2 3.88Å; F144-F151 HydrophobicContact CZ-CD2 3.88Å; F144-F151 AromaticContact CZ-CE2 3.83Å; F144-F151 HydrophobicContact CZ-CE2 3.83Å
145R80.6Confident89.9Confident214 Ų21466.7 Ų66.781%0.80836%0.356SS*.SBendtrans-66.9-39.6175.1-83.3178.469.7173.12.4112.7G142G142-R145 WeakPolarHBondContact O-CB 3.31Å; G142-R145 WeakPolarHBondContact O-CG 3.31Å; G142-R145 PolarHBondContact O-N 3.42Å
146N78.2Confident89.8Confident166 Ų16669.6 Ų69.689%0.88838%0.376SS*.SBendtrans-111.716.7-172.6-58.9-1000112.8
147G79.5Confident89.6Confident45 Ų4571.2 Ų71.246%0.46439%0.388SS..SBendtrans-156.2163.4-173.400000113.3
148V85.1Confident89.6Confident111 Ų11170.4 Ų70.467%0.67338%0.384SS*.  trans-63.6141.9173.5-176.10000109P150V148-P150 VanDerWaalsContact O-CD 3.25Å; V148-P150 WeakPolarHBondContact O-CD 3.34Å
149N90.4Very high89.5Confident8 Ų872.2 Ų72.24%0.04340%0.395CS..  trans-76.5108.9169.1174.416.6000108.1R132 G133 F144 F151 T152R132-N149 PolarHBondContact O-ND2 3.1Å; G133-N149 VanDerWaalsContact C-ND2 3.34Å; G133-N149 PolarHBondContact O-ND2 3.36Å; F144-N149 HydrophobicContact CD2-CB 4.24Å; F144-N149 HydrophobicContact CG-CB 4.32Å; N149-F151 PolarHBondContact O-N 3.36Å; N149-F151 VanDerWaalsContact O-N 3.11Å; N149-F151 WeakPolarHBondContact OD1-CB 3.29Å; N149-F151 WeakPolarHBondContact OD1-CD2 3.47Å; N149-F151 PolarHBondContact OD1-N 2.84Å; N149-F151 VanDerWaalsContact OD1-N 3.1Å; N149-T152 HydrophobicContact CB-CG2 4.44Å; N149-T152 VanDerWaalsContact O-CG2 3.22Å; N149-T152 WeakPolarHBondContact O-CG2 3.5Å; N149-T152 PolarHBondContact O-N 2.96Å
150P90.8Very high89.4Confident8 Ų871.9 Ų71.95%0.05240%0.4CS..THydrogen-bonded Turntrans-69.6-11-177.528.7-31.9000112.6N8 I10 F12 F144 V148N8-P150 HydrophobicContact CB-CB 4.06Å; N8-P150 PolarHBondContact ND2-O 3.39Å; I10-P150 HydrophobicContact CB-CG 4.43Å; I10-P150 HydrophobicContact CD1-CB 4Å; I10-P150 HydrophobicContact CD1-CG 3.97Å; I10-P150 HydrophobicContact CG1-CB 4.43Å; F12-P150 HydrophobicContact CE2-CG 3.73Å; F12-P150 HydrophobicContact CZ-CG 3.54Å; F144-P150 HydrophobicContact CE1-CG 4.47Å; V148-P150 VanDerWaalsContact O-CD 3.25Å; V148-P150 WeakPolarHBondContact O-CD 3.34Å
151F90.8Very high89.3Confident32 Ų3270.7 Ų70.714%0.1439%0.388CS..THydrogen-bonded Turntrans-92.88.3178-51.3-71.6000113.8I7 F12 P26 R27 F144 N149I7-F151 HydrophobicContact CD1-CE1 3.84Å; I7-F151 HydrophobicContact CD1-CZ 3.88Å; I7-F151 HydrophobicContact CG2-CE1 4.02Å; F12-F151 HydrophobicContact CE1-CE2 4.06Å; F12-F151 HydrophobicContact CE1-CZ 4.2Å; F12-F151 HydrophobicContact CE2-CE2 4.41Å; F12-F151 HydrophobicContact CE2-CZ 4.1Å; F12-F151 AromaticContact CZ-CE2 3.67Å; F12-F151 HydrophobicContact CZ-CE2 3.67Å; F12-F151 AromaticContact CZ-CZ 3.77Å; F12-F151 HydrophobicContact CZ-CZ 3.77Å; P26-F151 HydrophobicContact CB-CE1 4.3Å; P26-F151 HydrophobicContact CB-CZ 3.89Å; R27-F151 HydrophobicContact CG-CD2 4.1Å; R27-F151 HydrophobicContact CG-CE1 4.2Å; R27-F151 HydrophobicContact CG-CE2 3.73Å; R27-F151 HydrophobicContact CG-CZ 3.79Å; F144-F151 HydrophobicContact CE1-CE2 4.49Å; F144-F151 HydrophobicContact CE2-CD2 4.43Å; F144-F151 AromaticContact CZ-CD2 3.88Å; F144-F151 HydrophobicContact CZ-CD2 3.88Å; F144-F151 AromaticContact CZ-CE2 3.83Å; F144-F151 HydrophobicContact CZ-CE2 3.83Å; N149-F151 PolarHBondContact O-N 3.36Å; N149-F151 VanDerWaalsContact O-N 3.11Å; N149-F151 WeakPolarHBondContact OD1-CB 3.29Å; N149-F151 WeakPolarHBondContact OD1-CD2 3.47Å; N149-F151 PolarHBondContact OD1-N 2.84Å; N149-F151 VanDerWaalsContact OD1-N 3.1Å
152T91.6Very high89.3Confident52 Ų5268.3 Ų68.332%0.31937%0.373SS..  trans-94.4128.4175.4-163.70000111N149 N158N149-T152 HydrophobicContact CB-CG2 4.44Å; N149-T152 VanDerWaalsContact O-CG2 3.22Å; N149-T152 WeakPolarHBondContact O-CG2 3.5Å; N149-T152 PolarHBondContact O-N 2.96Å; T152-N158 PolarHBondContact OG1-ND2 3.01Å
153N87.9Confident89.2Confident97 Ų9770 Ų7052%0.51938%0.377SS..  trans-110.121.2175.5-64.6-41.2000111.9S157 N158N153-S157 WeakPolarHBondContact CB-OG 3.23Å; N153-S157 WeakPolarHBondContact O-CB 3.43Å; N153-N158 PolarHBondContact N-OD1 3.45Å
154G91.2Very high89.4Confident39 Ų3969.9 Ų69.940%0.40239%0.388SS..  trans86.7155.7-170.900000112.8C156 S157 N158G154-C156 PolarHBondContact O-N 3.27Å; G154-S157 PolarHBondContact O-N 3.23Å; G154-S157 VanDerWaalsContact O-N 3.13Å; G154-N158 PolarHBondContact O-N 3.22Å; G154-N158 PolarHBondContact O-ND2 3.31Å; G154-N158 PolarHBondContact O-OD1 3.48Å
155W91.8Very high89.3Confident181 Ų18170.1 Ų70.169%0.68639%0.393SS*.Hα-helixtrans-60.9-45.1-164.476.9-86.9000113.9S131 S157 N158 V159S131-W155 WeakPolarHBondContact O-CA 3.34Å; W155-S157 PolarHBondContact O-N 3.26Å; W155-N158 PolarHBondContact O-N 2.85Å; W155-V159 VanDerWaalsContact O-CG2 3.28Å; W155-V159 WeakPolarHBondContact O-CG2 3.39Å; W155-V159 PolarHBondContact O-N 3.23Å
156C93.7Very high89.4Confident71 Ų7164.9 Ų64.948%0.4839%0.389SS..Hα-helixtrans-59.9-44.4175.6-630000112.2G154 V159 S160G154-C156 PolarHBondContact O-N 3.27Å; C156-V159 PolarHBondContact O-N 3.36Å; C156-S160 VanDerWaalsContact O-CB 3.31Å; C156-S160 WeakPolarHBondContact O-CB 3.29Å; C156-S160 PolarHBondContact O-N 3.42Å
157S93.4Very high89.4Confident55 Ų5560.2 Ų60.239%0.38537%0.37SS..Hα-helixtrans-68.1-42-177.8-167.90000111.1N153 G154 W155 V159 S160 Q161N153-S157 WeakPolarHBondContact CB-OG 3.23Å; N153-S157 WeakPolarHBondContact O-CB 3.43Å; G154-S157 PolarHBondContact O-N 3.23Å; G154-S157 VanDerWaalsContact O-N 3.13Å; W155-S157 PolarHBondContact O-N 3.26Å; S157-V159 PolarHBondContact O-N 2.93Å; S157-S160 PolarHBondContact O-N 3.44Å; S157-Q161 WeakPolarHBondContact O-CB 3.46Å; S157-Q161 PolarHBondContact O-N 3.1Å
158N94.6Very high89.4Confident2 Ų261.4 Ų61.41%0.01136%0.361CS..Hα-helixtrans-61.6-43174.9-59.9-24.9000112.1V130 S131 G133 T152 N153 G154 W155 Q161 V162V130-N158 WeakPolarHBondContact O-CB 3.5Å; S131-N158 PolarHBondContact O-ND2 2.85Å; G133-N158 PolarHBondContact N-ND2 2.72Å; T152-N158 PolarHBondContact OG1-ND2 3.01Å; N153-N158 PolarHBondContact N-OD1 3.45Å; G154-N158 PolarHBondContact O-N 3.22Å; G154-N158 PolarHBondContact O-ND2 3.31Å; G154-N158 PolarHBondContact O-OD1 3.48Å; W155-N158 PolarHBondContact O-N 2.85Å; N158-Q161 PolarHBondContact O-N 2.81Å; N158-V162 PolarHBondContact O-N 3.41Å
159V94.2Very high89Confident43 Ų4360.3 Ų60.326%0.26136%0.356SS..Hα-helixtrans-64-49.6175.5170.80000110.5V130 W155 C156 S157 Q161 V162 L163V130-V159 HydrophobicContact CG1-CB 4.37Å; V130-V159 HydrophobicContact CG1-CG2 3.84Å; W155-V159 VanDerWaalsContact O-CG2 3.28Å; W155-V159 WeakPolarHBondContact O-CG2 3.39Å; W155-V159 PolarHBondContact O-N 3.23Å; C156-V159 PolarHBondContact O-N 3.36Å; S157-V159 PolarHBondContact O-N 2.93Å; V159-Q161 VanDerWaalsContact C-N 3.29Å; V159-Q161 PolarHBondContact O-N 3.25Å; V159-V162 PolarHBondContact O-N 3.48Å; V159-V162 VanDerWaalsContact O-N 3.08Å; V159-L163 HydrophobicContact CG1-CD1 3.63Å; V159-L163 HydrophobicContact CG1-CG 4.23Å; V159-L163 WeakPolarHBondContact O-CG 3.27Å; V159-L163 PolarHBondContact O-N 3.21Å
160S93.6Very high88.2Confident63 Ų6362.5 Ų62.544%0.44138%0.375SS..Hα-helixtrans-58.4-39.6177.1-174.20000112.1C156 S157 V162 L163 C164C156-S160 VanDerWaalsContact O-CB 3.31Å; C156-S160 WeakPolarHBondContact O-CB 3.29Å; C156-S160 PolarHBondContact O-N 3.42Å; S157-S160 PolarHBondContact O-N 3.44Å; S160-V162 VanDerWaalsContact C-N 3.34Å; S160-V162 PolarHBondContact O-N 3.43Å; S160-L163 PolarHBondContact O-N 3.44Å; S160-C164 WeakPolarHBondContact O-CA 3.4Å; S160-C164 VanDerWaalsContact O-CB 3.28Å; S160-C164 WeakPolarHBondContact O-CB 3.43Å; S160-C164 PolarHBondContact O-N 3.02Å
161Q91.7Very high87.2Confident83 Ų8370 Ų7039%0.38840%0.404SS..Hα-helixtrans-63-37.4175.6-171.9177.924.600112.5S157 N158 V159 A165S157-Q161 WeakPolarHBondContact O-CB 3.46Å; S157-Q161 PolarHBondContact O-N 3.1Å; N158-Q161 PolarHBondContact O-N 2.81Å; V159-Q161 VanDerWaalsContact C-N 3.29Å; V159-Q161 PolarHBondContact O-N 3.25Å; Q161-A165 WeakPolarHBondContact O-CB 3.31Å; Q161-A165 PolarHBondContact O-N 2.89Å
162V91.4Very high86Confident32 Ų3274.2 Ų74.219%0.19443%0.432CS..Hα-helixtrans-75.1-38.8177.9169.60000112.1Y57 R58 F61 V130 N158 V159 S160Y57-V162 HydrophobicContact CD1-CG1 3.91Å; Y57-V162 HydrophobicContact CD1-CG2 4.41Å; Y57-V162 HydrophobicContact CE1-CG1 4Å; Y57-V162 HydrophobicContact CE1-CG2 4.36Å; R58-V162 WeakPolarHBondContact CB-O 3.2Å; R58-V162 WeakPolarHBondContact CD-O 3.35Å; R58-V162 VanDerWaalsContact CG-O 3.31Å; R58-V162 WeakPolarHBondContact CG-O 3.27Å; F61-V162 HydrophobicContact CB-CG1 4.43Å; F61-V162 HydrophobicContact CD1-CG1 4.12Å; F61-V162 HydrophobicContact CG-CG1 4.34Å; V130-V162 HydrophobicContact CG1-CB 4.09Å; V130-V162 HydrophobicContact CG1-CG1 4.49Å; V130-V162 HydrophobicContact CG1-CG2 3.94Å; V130-V162 HydrophobicContact CG2-CG1 4.31Å; V130-V162 HydrophobicContact CG2-CG2 4.19Å; N158-V162 PolarHBondContact O-N 3.41Å; V159-V162 PolarHBondContact O-N 3.48Å; V159-V162 VanDerWaalsContact O-N 3.08Å; S160-V162 VanDerWaalsContact C-N 3.34Å; S160-V162 PolarHBondContact O-N 3.43Å
163L90.7Very high84.2Confident52 Ų5274 Ų7427%0.27244%0.435SS..Hα-helixtrans-82.4-44.4-175.9-59.7179.9000112.4R58 F61 F62 V159 S160R58-L163 WeakPolarHBondContact CD-O 3.48Å; R58-L163 PolarHBondContact NH1-O 3.28Å; F61-L163 HydrophobicContact CD1-CD2 3.95Å; F61-L163 HydrophobicContact CE1-CD2 3.98Å; F62-L163 HydrophobicContact CE1-CD2 3.96Å; F62-L163 HydrophobicContact CE2-CD2 4.1Å; F62-L163 HydrophobicContact CZ-CD2 3.58Å; V159-L163 HydrophobicContact CG1-CD1 3.63Å; V159-L163 HydrophobicContact CG1-CG 4.23Å; V159-L163 WeakPolarHBondContact O-CG 3.27Å; V159-L163 PolarHBondContact O-N 3.21Å; S160-L163 PolarHBondContact O-N 3.44Å
164C89.9Confident82.2Confident95 Ų9573 Ų7364%0.64244%0.435SS*.Hα-helixtrans-109.7-5.4-164.4-56.60000114.8S160S160-C164 WeakPolarHBondContact O-CA 3.4Å; S160-C164 VanDerWaalsContact O-CB 3.28Å; S160-C164 WeakPolarHBondContact O-CB 3.43Å; S160-C164 PolarHBondContact O-N 3.02Å
165A83.5Confident79.6Confident24 Ų2478.8 Ų78.820%0.19845%0.445CS..PPolyproline II helixtrans-62.2147.8176.900000112.5R58 Q161R58-A165 PolarHBondContact NH1-O 3.23Å; Q161-A165 WeakPolarHBondContact O-CB 3.31Å; Q161-A165 PolarHBondContact O-N 2.89Å
166S83.5Confident76.9Confident103 Ų10373 Ų7372%0.7243%0.432SS*.PPolyproline II helixtrans-64.2150170.1-170.30000111.1Y168S166-Y168 PolarHBondContact O-N 3.3Å
167S77.7Confident74.2Confident69 Ų6972.2 Ų72.248%0.48343%0.431SS..PPolyproline II helixtrans-69121.4178.9-65.50000110.6R58R58-S167 PolarHBondContact NH2-OG 3.26Å
168Y79.4Confident71.6Confident69 Ų6975.4 Ų75.427%0.27143%0.434SS..PPolyproline II helixtrans-66.8141.6-180-62.9-81.8000112.3R54 R55 S166R54-Y168 HydrophobicContact CG-CD2 3.6Å; R54-Y168 HydrophobicContact CG-CE2 3.78Å; R54-Y168 HydrophobicContact CG-CG 4.2Å; R54-Y168 VanDerWaalsContact NE-CE2 3.26Å; R54-Y168 VanDerWaalsContact NH2-CZ 3.3Å; R54-Y168 PolarHBondContact NH2-OH 3.17Å; R55-Y168 PolarHBondContact NE-O 3.26Å; S166-Y168 PolarHBondContact O-N 3.3Å
169P77.7Confident68.7Low88 Ų8882.5 Ų82.557%0.57147%0.465SS*.PPolyproline II helixtrans-64.8162.6-177.627.5-35.5000112.5R55R55-P169 WeakPolarHBondContact CD-O 3.45Å; R55-P169 PolarHBondContact NE-O 3.22Å
170A73.9Confident66Low54 Ų5483.6 Ų83.645%0.44648%0.478SS..PPolyproline II helixtrans-84.4124.1170.600000110V172A170-V172 PolarHBondContact O-N 3.36Å
171Y69.9Low63.4Low167 Ų16783.1 Ų83.166%0.65548%0.479SS*.SBendtrans-71.9-17.6173.4-58.4-65.9000113.5E39E39-Y171 PolarHBondContact OE2-OH 2.81Å
172V65Low61Low119 Ų11983.1 Ų83.172%0.72148%0.484SS*.SBendtrans-107.9112176.5-176.40000109A170 S174A170-V172 PolarHBondContact O-N 3.36Å; V172-S174 PolarHBondContact O-N 3.44Å
173A53.6Low58.4Low47 Ų4786.2 Ų86.239%0.38851%0.507SS..  trans-69.2119171.400000110.2R175 R178A173-R175 PolarHBondContact O-N 2.77Å; A173-R178 PolarHBondContact O-NH2 2.9Å
174S45.4Very low55.9Low76 Ų7689.2 Ų89.253%0.53153%0.528SS..  trans-56.2138173.255.30000110.2V172 C176 A177V172-S174 PolarHBondContact O-N 3.44Å; S174-C176 PolarHBondContact O-N 3.31Å; S174-C176 VanDerWaalsContact O-N 3.1Å; S174-A177 PolarHBondContact O-N 3.46Å
175R37.9Very low53.4Low161 Ų16187.5 Ų87.561%0.60852%0.521SS*.Hα-helixtrans-56.9-30.9-175.5-64.8-176.4-174.7-163.43.1112.3A173 A177 R178 K179A173-R175 PolarHBondContact O-N 2.77Å; R175-A177 PolarHBondContact O-N 2.99Å; R175-R178 PolarHBondContact O-N 3.38Å; R175-K179 PolarHBondContact O-N 2.91Å
176C34.9Very low51.2Low59 Ų5993.9 Ų93.940%0.39955%0.55SS.*Hα-helixtrans-55.3-41.6171.8-930000114.3S174 R178 K179 A180S174-C176 PolarHBondContact O-N 3.31Å; S174-C176 VanDerWaalsContact O-N 3.1Å; C176-R178 VanDerWaalsContact C-N 3.31Å; C176-R178 PolarHBondContact O-N 3.4Å; C176-K179 PolarHBondContact O-N 3.47Å; C176-A180 PolarHBondContact O-N 3.31Å
177A37.2Very low48.8Very low56 Ų5694.7 Ų94.746%0.46356%0.556SS.*Hα-helixtrans-67.4-33.718000000111.9S174 R175 A181S174-A177 PolarHBondContact O-N 3.46Å; R175-A177 PolarHBondContact O-N 2.99Å; A177-A181 PolarHBondContact O-N 3.4Å
178R37Very low46.6Very low121 Ų12193.9 Ų93.946%0.45756%0.559SS.*Hα-helixtrans-66-47.3175.9-87.3176.5-83.2176.3-7.9112.4A173 R175 C176 A180 A181 T182A173-R178 PolarHBondContact O-NH2 2.9Å; R175-R178 PolarHBondContact O-N 3.38Å; C176-R178 VanDerWaalsContact C-N 3.31Å; C176-R178 PolarHBondContact O-N 3.4Å; R178-A180 VanDerWaalsContact C-N 3.28Å; R178-A180 PolarHBondContact O-N 3.31Å; R178-A181 PolarHBondContact O-N 3.45Å; R178-A181 VanDerWaalsContact O-N 3.09Å; R178-T182 PolarHBondContact O-N 2.94Å; R178-T182 PolarHBondContact O-OG1 2.75Å
179K35.7Very low44.1Very low152 Ų15292.7 Ų92.766%0.66157%0.568SS**Hα-helixtrans-58.8-37.3179.2-77.2-171.5174.8-178.10112.9R175 C176 S183R175-K179 PolarHBondContact O-N 2.91Å; C176-K179 PolarHBondContact O-N 3.47Å; K179-S183 PolarHBondContact O-N 2.86Å
180A35.8Very low42Very low65 Ų6594 Ų9454%0.53757%0.566SS.*Hα-helixtrans-66.5-42.9174.500000112.5C176 R178C176-A180 PolarHBondContact O-N 3.31Å; R178-A180 VanDerWaalsContact C-N 3.28Å; R178-A180 PolarHBondContact O-N 3.31Å
181A38.7Very low39.9Very low54 Ų5496.5 Ų96.545%0.44657%0.569SS.*Hα-helixtrans-69.6-42.7178.300000113A177 R178 S183 T184 A185A177-A181 PolarHBondContact O-N 3.4Å; R178-A181 PolarHBondContact O-N 3.45Å; R178-A181 VanDerWaalsContact O-N 3.09Å; A181-S183 VanDerWaalsContact C-N 3.27Å; A181-S183 PolarHBondContact O-N 3.25Å; A181-T184 PolarHBondContact O-N 3.41Å; A181-A185 VanDerWaalsContact O-CB 3.27Å; A181-A185 WeakPolarHBondContact O-CB 3.31Å; A181-A185 PolarHBondContact O-N 3.3Å
182T41.4Very low38.1Very low83 Ų8391.6 Ų91.651%0.50955%0.549SS..Hα-helixtrans-63.2-32.6-179.2-52.90000112.4R178 T184R178-T182 PolarHBondContact O-N 2.94Å; R178-T182 PolarHBondContact O-OG1 2.75Å; T182-T184 PolarHBondContact O-N 2.83Å
183S36.7Very low36.5Very low97 Ų9789.1 Ų89.168%0.67853%0.534SS*.Hα-helixtrans-63.8-20.8174.3-177.50000113.9K179 A181K179-S183 PolarHBondContact O-N 2.86Å; A181-S183 VanDerWaalsContact C-N 3.27Å; A181-S183 PolarHBondContact O-N 3.25Å
184T38.2Very low35.6Very low115 Ų11592 Ų9271%0.70654%0.542SS*.Hα-helixtrans-110.2-24.3-179.5-41.20000111.9A181 T182A181-T184 PolarHBondContact O-N 3.41Å; T182-T184 PolarHBondContact O-N 2.83Å
185A39.1Very low35.1Very low59 Ų5991.2 Ų91.249%0.48853%0.534SS..Hα-helixtrans-83.5-6.5-17700000115.1A181 S187 G188A181-A185 VanDerWaalsContact O-CB 3.27Å; A181-A185 WeakPolarHBondContact O-CB 3.31Å; A181-A185 PolarHBondContact O-N 3.3Å; A185-S187 PolarHBondContact O-N 3.26Å; A185-G188 PolarHBondContact O-N 3.45Å
186L36.2Very low35Very low157 Ų15788.1 Ų88.182%0.82253%0.526SS*.THydrogen-bonded Turntrans-632.1173.9-86159.3000114.6
187S33.5Very low35Very low120 Ų12089.3 Ų89.384%0.83953%0.527SS*.THydrogen-bonded Turntrans-1145.6177.8-1710000114.5A185A185-S187 PolarHBondContact O-N 3.26Å
188G31.2Very low34.9Very low52 Ų5293.8 Ų93.854%0.53654%0.538SS..  trans178.2112176.700000114.2A185A185-G188 PolarHBondContact O-N 3.45Å
189G27.9Very low34.9Very low45 Ų4591.8 Ų91.846%0.46454%0.541SS..  trans-71126.6176.400000112.1
190Q32.2Very low35Very low115 Ų11588.9 Ų88.954%0.53754%0.536SS..  trans-141.2110.1164.5-75.4-175.72.300108.7Y192 K213Q190-Y192 HydrophobicContact CB-CE2 4.29Å; Q190-K213 VanDerWaalsContact NE2-NZ 3.17Å
191H30.6Very low35.1Very low107 Ų10792 Ų9250%0.49554%0.537SS..  trans-89.8146.2177.1-78.1-123.5000110.9
192Y32.5Very low35.2Very low64 Ų6491.7 Ų91.725%0.25154%0.535SS..EExtended strand (participates in β ladder)trans-127.7127.6174.9-65.7-95.9000109.2Q190 K213Q190-Y192 HydrophobicContact CB-CE2 4.29Å; Y192-K213 HydrophobicContact CD1-CB 3.95Å; Y192-K213 HydrophobicContact CD1-CG 4.4Å; Y192-K213 HydrophobicContact CE1-CB 3.65Å; Y192-K213 HydrophobicContact CE1-CD 4.08Å; Y192-K213 HydrophobicContact CE1-CG 3.85Å
193V31.5Very low35.1Very low66 Ų6691 Ų9140%0.453%0.528SS..EExtended strand (participates in β ladder)trans-100.7138.8-180-177.10000109.6V195 V212V193-V195 HydrophobicContact CG1-CG2 4.34Å; V193-V195 PolarHBondContact O-N 2.87Å; V193-V212 PolarHBondContact N-O 2.9Å; V193-V212 PolarHBondContact O-N 2.71Å
194I34.8Very low35Very low109 Ų10991.9 Ų91.956%0.55953%0.534SS*.EExtended strand (participates in β ladder)trans-78.2102.5170.3-59.2179000107.2T209I194-T209 HydrophobicContact CG2-CG2 3.51Å
195V35.1Very low34.8Very low58 Ų5887.7 Ų87.735%0.35251%0.514SS..EExtended strand (participates in β ladder)trans-94.8116.8175.8-175.20000108.4V193 M197 K210 V212V193-V195 HydrophobicContact CG1-CG2 4.34Å; V193-V195 PolarHBondContact O-N 2.87Å; V195-M197 PolarHBondContact O-N 2.89Å; V195-K210 PolarHBondContact N-O 2.97Å; V195-K210 VanDerWaalsContact N-O 3.12Å; V195-K210 PolarHBondContact O-N 2.91Å; V195-V212 HydrophobicContact CB-CG2 4.11Å; V195-V212 HydrophobicContact CG2-CB 4.02Å; V195-V212 HydrophobicContact CG2-CG2 3.81Å
196E34.8Very low34.5Very low96 Ų9686.6 Ų86.645%0.44951%0.505SS..EExtended strand (participates in β ladder)trans-71.9107.9168.1-172.6176.5-150.500108.2K3 Q198 T207K3-E196 IonicContact NZ-OE1 2.76Å; K3-E196 PolarHBondContact NZ-OE1 2.87Å; K3-E196 IonicContact NZ-OE2 3.53Å; K3-E196 PolarHBondContact NZ-OE2 3.47Å; E196-Q198 PolarHBondContact O-N 3.31Å; E196-T207 HydrophobicContact CG-CG2 3.96Å
197M35.2Very low34.3Very low85 Ų8582 Ų8242%0.41948%0.484SS..  trans-72.6113.7175.4-77.4-175.7141.200109.2V195 Y208 K210V195-M197 PolarHBondContact O-N 2.89Å; M197-Y208 PolarHBondContact N-O 3.42Å; M197-K210 HydrophobicContact CE-CD 3.7Å; M197-K210 HydrophobicContact CG-CB 4.24Å; M197-K210 HydrophobicContact SD-CB 3.77Å; M197-K210 HydrophobicContact SD-CD 3.75Å; M197-K210 HydrophobicContact SD-CG 4.39Å
198Q34.5Very low34.3Very low150 Ų15081.6 Ų81.670%0.70146%0.464SS*.  trans-53.4139.2166-71.3-82.6-16.600109.2E196 T200E196-Q198 PolarHBondContact O-N 3.31Å; Q198-T200 PolarHBondContact O-N 2.89Å; Q198-T200 VanDerWaalsContact O-N 3.1Å
199P36.5Very low34.5Very low79 Ų7984.2 Ų84.251%0.51347%0.47SS..  trans-62.9115.9178.126.4-33.3000109.6
200T38.1Very low34.8Very low90 Ų9087.6 Ų87.655%0.55247%0.472SS*.  trans-78.9157.8167.560.20000109.1Q198 A202 N203Q198-T200 PolarHBondContact O-N 2.89Å; Q198-T200 VanDerWaalsContact O-N 3.1Å; T200-A202 PolarHBondContact O-N 2.94Å; T200-N203 PolarHBondContact O-N 3.03Å
201K38.6Very low34.7Very low130 Ų13085.4 Ų85.457%0.56546%0.463SS*.THydrogen-bonded Turntrans-59.6-15-178.5-86.7-180158.91760115.4D241 M242K201-D241 WeakPolarHBondContact CD-O 3.17Å; K201-D241 WeakPolarHBondContact CE-O 3.42Å; K201-D241 PolarHBondContact NZ-O 3.32Å; K201-M242 WeakPolarHBondContact CD-O 3.4Å; K201-M242 WeakPolarHBondContact CE-O 3.43Å; K201-M242 PolarHBondContact NZ-O 2.9Å
202A39.7Very low34.8Very low48 Ų4883 Ų8340%0.39746%0.456SS..THydrogen-bonded Turntrans-77.6-15.117200000114.3T200 A239T200-A202 PolarHBondContact O-N 2.94Å; A202-A239 WeakPolarHBondContact CB-O 3.2Å
203N40.4Very low34.7Very low68 Ų6884.5 Ų84.536%0.36446%0.463SS..  trans-131.357.2-174.7-78.6-38.2000112.1T200 G205 Y208T200-N203 PolarHBondContact O-N 3.03Å; N203-G205 PolarHBondContact O-N 3.35Å; N203-Y208 HydrophobicContact CB-CE2 3.82Å; N203-Y208 VanDerWaalsContact CG-OH 3.28Å; N203-Y208 PolarHBondContact OD1-OH 2.97Å
204S33.7Very low34.8Very low116 Ų11687.3 Ų87.381%0.81147%0.472SS*.THydrogen-bonded Turntrans-68.882.6176.947.50000112.7
205G35.5Very low34.8Very low27 Ų2788.6 Ų88.628%0.27848%0.48SS..THydrogen-bonded Turntrans145.24.5167.400000117.1E6 N203E6-G205 CarbonylContact O-C 3.38Å; E6-G205 VanDerWaalsContact O-CA 3.28Å; E6-G205 WeakPolarHBondContact O-CA 3.41Å; E6-G205 VanDerWaalsContact O-O 3.07Å; N203-G205 PolarHBondContact O-N 3.35Å
206A31.9Very low34.6Very low36 Ų3693.6 Ų93.630%0.29850%0.5SS..  trans-139.6120-179.800000112.2Y208A206-Y208 HydrophobicContact CB-CD1 4.33Å; A206-Y208 HydrophobicContact CB-CE1 3.62Å; A206-Y208 HydrophobicContact CB-CE2 4.07Å; A206-Y208 VanDerWaalsContact CB-CZ 3.47Å; A206-Y208 WeakPolarHBondContact O-CD2 3.46Å; A206-Y208 WeakPolarHBondContact O-CE2 3.41Å
207T32.1Very low34.3Very low61 Ų6194.6 Ų94.637%0.37452%0.517SS..  trans-84.3115.7166.4-48.90000108.4E196E196-T207 HydrophobicContact CG-CG2 3.96Å
208Y33.7Very low34.2Very low111 Ų11195.2 Ų95.244%0.43554%0.536SS..  trans-103.9134.1175.5-37.1-91.6000109.9M197 N203 A206M197-Y208 PolarHBondContact N-O 3.42Å; N203-Y208 HydrophobicContact CB-CE2 3.82Å; N203-Y208 VanDerWaalsContact CG-OH 3.28Å; N203-Y208 PolarHBondContact OD1-OH 2.97Å; A206-Y208 HydrophobicContact CB-CD1 4.33Å; A206-Y208 HydrophobicContact CB-CE1 3.62Å; A206-Y208 HydrophobicContact CB-CE2 4.07Å; A206-Y208 VanDerWaalsContact CB-CZ 3.47Å; A206-Y208 WeakPolarHBondContact O-CD2 3.46Å; A206-Y208 WeakPolarHBondContact O-CE2 3.41Å
209T35.3Very low33.9Very low108 Ų10896.9 Ų96.966%0.66355%0.549SS*.EExtended strand (participates in β ladder)trans-85116.5167.8-1.90000109I194I194-T209 HydrophobicContact CG2-CG2 3.51Å
210K33.8Very low33.4Very low116 Ų11696.8 Ų96.850%0.50456%0.562SS.*EExtended strand (participates in β ladder)trans-111.5127.5173.7-169.8177.8-177.91790109.5V195 M197V195-K210 PolarHBondContact N-O 2.97Å; V195-K210 VanDerWaalsContact N-O 3.12Å; V195-K210 PolarHBondContact O-N 2.91Å; M197-K210 HydrophobicContact CE-CD 3.7Å; M197-K210 HydrophobicContact CG-CB 4.24Å; M197-K210 HydrophobicContact SD-CB 3.77Å; M197-K210 HydrophobicContact SD-CD 3.75Å; M197-K210 HydrophobicContact SD-CG 4.39Å
211M29.9Very low32.8Very low68 Ų6897 Ų9734%0.33558%0.581SS.*EExtended strand (participates in β ladder)trans-76.9128.3166.4-75.8127.347.600109.1C229 P231M211-C229 HydrophobicContact CE-CB 3.39Å; M211-C229 HydrophobicContact CG-CB 3.96Å; M211-C229 HydrophobicContact SD-CB 3.5Å; M211-C229 VanDerWaalsContact SD-CB 3.5Å; M211-P231 HydrophobicContact CE-CB 3.92Å
212V32.1Very low32.2Very low58 Ų5894.3 Ų94.335%0.35259%0.591SS.*EExtended strand (participates in β ladder)trans-113.3140.7175.6-177.80000108.6V193 V195V193-V212 PolarHBondContact N-O 2.9Å; V193-V212 PolarHBondContact O-N 2.71Å; V195-V212 HydrophobicContact CB-CG2 4.11Å; V195-V212 HydrophobicContact CG2-CB 4.02Å; V195-V212 HydrophobicContact CG2-CG2 3.81Å
213K31.1Very low31.4Very low94 Ų94101.5 Ų101.541%0.40962%0.616SS.*EExtended strand (participates in β ladder)trans-89124.5173.5-177.1172.8175166.50108.7Q190 Y192Q190-K213 VanDerWaalsContact NE2-NZ 3.17Å; Y192-K213 HydrophobicContact CD1-CB 3.95Å; Y192-K213 HydrophobicContact CD1-CG 4.4Å; Y192-K213 HydrophobicContact CE1-CB 3.65Å; Y192-K213 HydrophobicContact CE1-CD 4.08Å; Y192-K213 HydrophobicContact CE1-CG 3.85Å
214E33.8Very low30.7Very low125 Ų125104.5 Ų104.558%0.58464%0.641SS**PPolyproline II helixtrans-90.4144.2167.6-78.6-177133.900110.3
215N34.1Very low30.3Very low136 Ų136107.8 Ų107.873%0.72765%0.646SS**PPolyproline II helixtrans-96.4132.1168.4-73.9-18.2000108.1S217N215-S217 PolarHBondContact O-N 3.06Å; N215-S217 VanDerWaalsContact O-N 3.14Å
216E31.4Very low29.9Very low164 Ų164111.1 Ų111.177%0.76666%0.662SS**  trans-71.7105.2-179-66.1-175.1110.500111.8
217S29.5Very low29.9Very low116 Ų116112.7 Ų112.781%0.81167%0.672SS**  trans-156.355167.469.10000114N215N215-S217 PolarHBondContact O-N 3.06Å; N215-S217 VanDerWaalsContact O-N 3.14Å
218A33.2Very low29.7Very low98 Ų98114.7 Ų114.781%0.8168%0.683SS**  trans-162.1125.9159.300000111.6
219L27.4Very low29.5Very low186 Ų186111.6 Ų111.697%0.97468%0.678SS**  trans-78.3144.9172.9-86.866.3000111.2
220G27Very low29.3Very low76 Ų76111.6 Ų111.678%0.78468%0.682SS**  trans172.7104.5166.100000111.7
221G25.1Very low29.3Very low94 Ų94110.8 Ų110.897%0.96969%0.688SS**  trans-69.6142.8-16900000115.3
222G25.3Very low29.3Very low74 Ų74115.9 Ų115.976%0.76371%0.711SS**  trans178.2121.6172.100000110C224G222-C224 PolarHBondContact O-N 2.76Å
223E23.7Very low29.4Very low199 Ų199120.8 Ų120.893%0.9373%0.732SS**  trans-69.2124.5-172-63.7166.1100.500112.3
224C25.6Very low29.4Very low131 Ų131120 Ų12089%0.88574%0.744SS**  trans-153139.9169.8-1000000112.5G222G222-C224 PolarHBondContact O-N 2.76Å
225M25.8Very low29.2Very low186 Ų186122.2 Ų122.292%0.91675%0.754SS**  trans-83.2147-177.3-62.2-165.68000113
226P26.4Very low28.9Very low96 Ų96122.1 Ų122.162%0.62375%0.753SS**  trans-94.6156.5-163.235.6-37.6000117.6
227S30.9Very low28.8Very low70 Ų70120.8 Ų120.849%0.4976%0.756SS.*  trans-107.3158.6173.953.90000112.5
228V28.2Very low28.7Very low102 Ų102118.1 Ų118.162%0.61875%0.747SS**  trans-152144.4166.7-166.50000112.6
229C29.2Very low28.4Very low47 Ų47117.3 Ų117.332%0.31874%0.74SS.*  trans-137.2178176.6-59.90000111.5M211M211-C229 HydrophobicContact CE-CB 3.39Å; M211-C229 HydrophobicContact CG-CB 3.96Å; M211-C229 HydrophobicContact SD-CB 3.5Å; M211-C229 VanDerWaalsContact SD-CB 3.5Å
230S32.1Very low28.3Very low107 Ų107112 Ų11275%0.74872%0.719SS**  trans-161.8159.6163-101.90000115.1
231P33.8Very low28.2Very low99 Ų99114 Ų11464%0.64371%0.711SS**  trans-137.1173.7-14442.9-26.4000119.7M211M211-P231 HydrophobicContact CE-CB 3.92Å
232E30.5Very low28.3Very low175 Ų175115.8 Ų115.882%0.81870%0.696SS**  trans-172.8170.3142.8-106.8178.138.600108
233M34.3Very low28.4Very low161 Ų161118.6 Ų118.679%0.79369%0.694SS**  cis-148.6-156.24.1-131.1-56.5175.300110
234A30.6Very low28.4Very low79 Ų79115.5 Ų115.565%0.65369%0.689SS**  trans-115.3179.8177.500000113.3
235E30.2Very low28.4Very low170 Ų170116.5 Ų116.579%0.79469%0.69SS**  cis-171.5173.436.7-143.2178141.900114.6
236L27.2Very low28.4Very low134 Ų134112.2 Ų112.270%0.70268%0.679SS**  trans83.4112.7154.8-70.1162000125.4
237T28.9Very low28.3Very low137 Ų137113.8 Ų113.884%0.8469%0.687SS**  trans65.3146.2148.465.90000120.8
238G26.6Very low28.3Very low60 Ų60117.3 Ų117.362%0.61970%0.7SS**  cis168.4139.4-10.400000113.1
239A27.4Very low28.4Very low80 Ų80120.3 Ų120.366%0.66171%0.713SS**  trans63.1160.717500000118.4A202A202-A239 WeakPolarHBondContact CB-O 3.2Å
240S24.7Very low28.3Very low76 Ų76124.8 Ų124.853%0.53173%0.733SS.*  cis-158172.1-37.658.60000110.3
241D25.6Very low28.2Very low117 Ų117128.8 Ų128.863%0.62674%0.736SS**  trans67.798.2154.9-50.8-42.5000122.8K201K201-D241 WeakPolarHBondContact CD-O 3.17Å; K201-D241 WeakPolarHBondContact CE-O 3.42Å; K201-D241 PolarHBondContact NZ-O 3.32Å
242M26.4Very low28Very low132 Ų132131.5 Ų131.565%0.6575%0.746SS**  110.4138.3126.4-75.7-173.610200122.3K201K201-M242 WeakPolarHBondContact CD-O 3.4Å; K201-M242 WeakPolarHBondContact CE-O 3.43Å; K201-M242 PolarHBondContact NZ-O 2.9Å
243D27.6Very low27.9Very low132 Ų132131.2 Ų131.271%0.70675%0.749SS**  trans80.497.5147.6-54.3-17.5000121.9
244T23.7Very low27.7Very low135 Ų135131.5 Ų131.583%0.82875%0.754SS**  trans-65.7143.2161.746.40000114
245V26.3Very low27.5Very low152 Ų152131 Ų13192%0.92175%0.75SS**  trans-128.4145151.7175.30000109.4
246S26.3Very low27.3Very low96 Ų96131.7 Ų131.767%0.67175%0.753SS**  trans-78.8154.2-157.2-168.30000115.9
247T24.7Very low27.4Very low129 Ų129133 Ų13379%0.79176%0.76SS**  trans-75.1115.3168.549.80000111.4
248N30.3Very low27.2Very low143 Ų143130.3 Ų130.377%0.76575%0.752SS**  trans-149.3-24.8166.1-93.5-35000115.4L250N248-L250 VanDerWaalsContact C-N 3.31Å; N248-L250 PolarHBondContact O-N 3.1Å
249D30.8Very low27.2Very low166 Ų166132.9 Ų132.989%0.88876%0.761SS**  trans-87.256.7-169.4-58.1-29.2000114.3
250L25.8Very low27Very low141 Ų141135 Ų13574%0.73877%0.766SS**  trans-130.648.3176.2-139.2159.6000112.5M1 N248M1-L250 HydrophobicContact CE-CD1 4.37Å; M1-L250 HydrophobicContact CE-CG 4.24Å; N248-L250 VanDerWaalsContact C-N 3.31Å; N248-L250 PolarHBondContact O-N 3.1Å
251K29.5Very low27.1Very low190 Ų190136.5 Ų136.583%0.82678%0.775SS**SBendtrans-140.4149.7157.1-91.1166-175.1172.40108.1
252D30.8Very low27.2Very low157 Ų157137.8 Ų137.884%0.8478%0.782SS**  trans90.2155.5179.2-54.2-18.4000117.8
253L29.1Very low27.1Very low168 Ų168138.3 Ų138.388%0.8879%0.787SS**  trans77.350.5-176.8-51.9176.1000117.1
254N28.2Very low27.3Very low168 Ų168142.2 Ų142.290%0.89880%0.798SS**  trans-97.277.8141.2-179.433.6000110.3
255A27.9Very low27.5Very low69 Ų69142.6 Ų142.657%0.5780%0.795SS**SBendtrans-173.4134.5160.200000111.4
256Q25.6Very low27.4Very low183 Ų183144.1 Ų144.186%0.85579%0.789SS**  trans49.692.2144.4-58.2175.511.300119.1
257N28.9Very low27.4Very low161 Ų161145.3 Ų145.386%0.86180%0.797SS**  trans-165.4108.6139.1-96.6-34000107
258A24.1Very low27.5Very low81 Ų81144.1 Ų144.167%0.66980%0.8SS**  72.8138.959.500000113.4
259S27.7Very low27.3Very low114 Ų114141.6 Ų141.680%0.79780%0.799SS**  trans69.3137.6-175.3780000116.4
260T24Very low27.1Very low125 Ų125140.6 Ų140.677%0.76779%0.793SS**  cis173.8168.4-31.422.20000105.8
261C25.6Very low27.1Very low108 Ų108142.1 Ų142.173%0.7380%0.796SS**  trans75.1127.4166.5-640000117.6
262N28.6Very low27Very low143 Ų143137.3 Ų137.377%0.76579%0.787SS**  cis-143.8145.23-83.4-32.6000112.7
263L24Very low26.8Very low144 Ų144136.7 Ų136.775%0.75479%0.789SS**  trans-69.6157.7160.3-91.962.5000110.9
264F32.2Very low26.5Very low213 Ų213132 Ų13293%0.93478%0.781SS**  trans-132.2152.1134.6-103-81.7000108.7
265D28.1Very low26.5Very low144 Ų144131.3 Ų131.377%0.7778%0.783SS**  trans-93.8168.5-142.5-141.3-23.4000115.9
266K23.9Very low26.3Very low184 Ų184136.5 Ų136.580%0.880%0.795SS**  trans-93.2166.4173.6-80.8-179.5172.7178.90112.3
267S25.1Very low26.2Very low120 Ų120136.8 Ų136.884%0.83980%0.796SS**  trans97.5152.4144.380.30000119.9
268A27Very low26.1Very low104 Ų104134.2 Ų134.286%0.8680%0.797SS**  trans83.8127.5-16900000115.6
269A27.1Very low26Very low90 Ų90133.8 Ų133.874%0.74480%0.801SS**  cis-155130.3-15.800000106.9
270L25.8Very low25.7Very low145 Ų145136.7 Ų136.776%0.75980%0.804SS**  52.6120.699.6-89.3162.6000116.9
271E26.5Very low25.6Very low173 Ų173134.7 Ų134.781%0.80880%0.8SS**  trans65.7148.6150.7-71.1163.7178.100119.6
272S26.4Very low25.5Very low90 Ų90139.4 Ų139.463%0.62981%0.805SS**  cis-166.1165.1-16.857.60000109.4
273T27.1Very low25.3Very low144 Ų144140.9 Ų140.988%0.88381%0.807SS**  trans58.5148.6168.771.40000117.8
274G23.8Very low25.2Very low69 Ų69139.6 Ų139.671%0.71181%0.808SS**  cis138.195.5-3.800000111.7
275V26.4Very low24.9Very low153 Ų153134.5 Ų134.593%0.92780%0.797SS**  trans-146.6144.2165.3-178.30000109.5
276E23.9Very low24.7Very low178 Ų178133.6 Ų133.683%0.83280%0.799SS**  trans-90.9176.6-168.6-69.3165.911300115.7
277E23.9Very low25Very low189 Ų189126.8 Ų126.888%0.88377%0.774SS**  trans-7.7137.6162.9-55.4-17013100121.1
278A25.9Very low25.1Very low107 Ų107124.9 Ų124.988%0.88476%0.761SS**  -160130.4122.500000110.2
279G22.4Very low25.2Very low73 Ų73126 Ų12675%0.75376%0.76SS**  trans-110160.8172.800000112.4
280M22.7Very low25.3Very low174 Ų174123.6 Ų123.686%0.85774%0.743SS**  trans-159.1135.4151.1-156.869.980.400109.7Y282M280-Y282 HydrophobicContact CG-CE2 4.49Å
281A21.5Very low25.9Very low83 Ų83118.2 Ų118.269%0.68672%0.718SS**  trans-97158.5-179.200000111.9
282Y24.1Very low26.5Very low208 Ų208114.9 Ų114.982%0.81670%0.702SS**  trans-150.3152.7156.8-87.8-63.6000112.7M280M280-Y282 HydrophobicContact CG-CE2 4.49Å
283E22.6Very low27.2Very low174 Ų174112.5 Ų112.581%0.81369%0.688SS**  trans-92.7174.9-154.4-59.7137.3121.800115.9
284C23.2Very low27.9Very low116 Ų116109.8 Ų109.878%0.78466%0.662SS**  trans-123.6156.7169.5-107.30000111.6
285P24.7Very low29Very low107 Ų107113.9 Ų113.970%0.69566%0.656SS**PPolyproline II helixtrans-81.5166.8-170-5.825.2000113.6S287P285-S287 PolarHBondContact O-N 3.13Å
286P25.4Very low30Very low124 Ų124109.9 Ų109.981%0.80564%0.635SS**PPolyproline II helixtrans-74.2122.2-160.829.2-35.5000113.4
287S29.5Very low31.1Very low41 Ų41102.4 Ų102.429%0.28760%0.601SS.*PPolyproline II helixtrans-99.6148.9161.854.50000109.9P285 S291P285-S287 PolarHBondContact O-N 3.13Å; S287-S291 VanDerWaalsContact C-OG 3.31Å; S287-S291 WeakPolarHBondContact CB-OG 3.47Å; S287-S291 PolarHBondContact O-OG 3.49Å; S287-S291 PolarHBondContact OG-OG 3.19Å; S287-S291 VanDerWaalsContact OG-OG 3.11Å
288S27.6Very low32.1Very low80 Ų8096.8 Ų96.856%0.55958%0.576SS**  trans-37.8145.5-168.462.30000116G290 S291S288-G290 PolarHBondContact O-N 3.24Å; S288-S291 PolarHBondContact N-OG 2.75Å; S288-S291 WeakPolarHBondContact O-CB 3.46Å; S288-S291 PolarHBondContact O-N 3.09Å; S288-S291 PolarHBondContact O-OG 3.12Å; S288-S291 PolarHBondContact OG-OG 3.17Å
289P28Very low33.3Very low129 Ų12998.8 Ų98.884%0.83857%0.565SS**Hα-helixtrans-53.4-29.3-167-29.535.3000116.7
290G29Very low34.6Very low39 Ų39100.7 Ų100.740%0.40255%0.554SS.*Hα-helixtrans-79.2-28.8174.900000114.7S288 Y294S288-G290 PolarHBondContact O-N 3.24Å; G290-Y294 WeakPolarHBondContact O-CB 3.4Å; G290-Y294 PolarHBondContact O-N 3.25Å; G290-Y294 VanDerWaalsContact O-N 3.12Å
291S39.4Very low35.6Very low31 Ų3195 Ų9522%0.21754%0.535CS..Hα-helixtrans-73.5-34.4-175.170.90000113.2S287 S288 R295S287-S291 VanDerWaalsContact C-OG 3.31Å; S287-S291 WeakPolarHBondContact CB-OG 3.47Å; S287-S291 PolarHBondContact O-OG 3.49Å; S287-S291 PolarHBondContact OG-OG 3.19Å; S287-S291 VanDerWaalsContact OG-OG 3.11Å; S288-S291 PolarHBondContact N-OG 2.75Å; S288-S291 WeakPolarHBondContact O-CB 3.46Å; S288-S291 PolarHBondContact O-N 3.09Å; S288-S291 PolarHBondContact O-OG 3.12Å; S288-S291 PolarHBondContact OG-OG 3.17Å; S291-R295 WeakPolarHBondContact O-CB 3.5Å; S291-R295 WeakPolarHBondContact O-CD 3.45Å; S291-R295 VanDerWaalsContact O-CG 3.23Å; S291-R295 WeakPolarHBondContact O-CG 3.1Å; S291-R295 PolarHBondContact O-N 3.17Å
292E38Very low36.4Very low103 Ų10396.7 Ų96.748%0.48153%0.531SS..Hα-helixtrans-78.5-41.4-179.2-171.3155-13800111.6R295 S296E292-R295 PolarHBondContact O-N 3.09Å; E292-S296 PolarHBondContact O-N 3.12Å
293A42.5Very low37.1Very low41 Ų4190 Ų9034%0.33952%0.515SS..Hα-helixtrans-55.8-51.8169.200000111.1R295 S296 L297A293-R295 PolarHBondContact O-N 3.23Å; A293-S296 PolarHBondContact O-N 3.44Å; A293-L297 VanDerWaalsContact O-CG 3.24Å; A293-L297 WeakPolarHBondContact O-CG 3.44Å; A293-L297 PolarHBondContact O-N 2.76Å
294Y41.1Very low37.8Very low87 Ų8783.9 Ų83.934%0.34150%0.499SS..Hα-helixtrans-57.8-44.6176.9-179.3-100.3000112.7G290 L297 L298 L344 L379G290-Y294 WeakPolarHBondContact O-CB 3.4Å; G290-Y294 PolarHBondContact O-N 3.25Å; G290-Y294 VanDerWaalsContact O-N 3.12Å; Y294-L297 PolarHBondContact O-N 3Å; Y294-L298 HydrophobicContact CE1-CD1 4.42Å; Y294-L298 WeakPolarHBondContact O-CB 3.31Å; Y294-L298 PolarHBondContact O-N 3.24Å; Y294-L344 HydrophobicContact CD2-CD2 4.39Å; Y294-L379 WeakPolarHBondContact OH-CD1 3.49Å
295R47.7Very low38.2Very low154 Ų15479.6 Ų79.658%0.58147%0.472SS*.Hα-helixtrans-66-36.6177.8-79.5171.1168.1-178.8-3113.2S291 E292 A293 K299S291-R295 WeakPolarHBondContact O-CB 3.5Å; S291-R295 WeakPolarHBondContact O-CD 3.45Å; S291-R295 VanDerWaalsContact O-CG 3.23Å; S291-R295 WeakPolarHBondContact O-CG 3.1Å; S291-R295 PolarHBondContact O-N 3.17Å; E292-R295 PolarHBondContact O-N 3.09Å; A293-R295 PolarHBondContact O-N 3.23Å; R295-K299 WeakPolarHBondContact O-CB 3.34Å; R295-K299 VanDerWaalsContact O-CG 3.31Å; R295-K299 WeakPolarHBondContact O-CG 3.23Å; R295-K299 PolarHBondContact O-N 3.02Å
296S47.3Very low38.5Very low69 Ų6985.4 Ų85.448%0.48348%0.48SS..Hα-helixtrans-66.9-48.9174.1-85.10000111.4E292 A293 L298 K299 E300E292-S296 PolarHBondContact O-N 3.12Å; A293-S296 PolarHBondContact O-N 3.44Å; S296-L298 VanDerWaalsContact C-N 3.27Å; S296-L298 PolarHBondContact O-N 3.28Å; S296-K299 PolarHBondContact O-N 2.94Å; S296-K299 VanDerWaalsContact O-N 3.12Å; S296-E300 WeakPolarHBondContact O-CB 3.2Å; S296-E300 PolarHBondContact O-N 3.31Å
297L46.2Very low38.8Very low21 Ų2188 Ų8811%0.1148%0.479CS..Hα-helixtrans-61.2-36178.4-60.7165.7000111.4A293 Y294 A301 L344 K345 L348A293-L297 VanDerWaalsContact O-CG 3.24Å; A293-L297 WeakPolarHBondContact O-CG 3.44Å; A293-L297 PolarHBondContact O-N 2.76Å; Y294-L297 PolarHBondContact O-N 3Å; L297-A301 WeakPolarHBondContact O-CB 3.35Å; L297-A301 PolarHBondContact O-N 2.92Å; L297-L344 HydrophobicContact CB-CD2 3.76Å; L297-L344 HydrophobicContact CB-CG 4.17Å; L297-L344 HydrophobicContact CD1-CB 4.47Å; L297-L344 HydrophobicContact CD1-CD2 3.9Å; L297-L344 HydrophobicContact CD1-CG 4Å; L297-L344 HydrophobicContact CG-CD2 4.47Å; L297-K345 HydrophobicContact CD1-CB 4.41Å; L297-L348 HydrophobicContact CB-CD1 3.97Å; L297-L348 HydrophobicContact CD2-CD1 3.56Å; L297-L348 HydrophobicContact CG-CD1 4.26Å
298L45.4Very low38.7Very low71 Ų7190.1 Ų90.137%0.37249%0.49SS..Hα-helixtrans-68.4-43174.1-149.593.7000112.4Y294 S296 E300 I302Y294-L298 HydrophobicContact CE1-CD1 4.42Å; Y294-L298 WeakPolarHBondContact O-CB 3.31Å; Y294-L298 PolarHBondContact O-N 3.24Å; S296-L298 VanDerWaalsContact C-N 3.27Å; S296-L298 PolarHBondContact O-N 3.28Å; L298-E300 VanDerWaalsContact C-N 3.33Å; L298-I302 HydrophobicContact CD2-CD1 4.3Å; L298-I302 HydrophobicContact CG-CD1 4.41Å; L298-I302 WeakPolarHBondContact O-CB 3.46Å; L298-I302 WeakPolarHBondContact O-CD1 3.1Å; L298-I302 VanDerWaalsContact O-CG1 3.23Å; L298-I302 WeakPolarHBondContact O-CG1 3.38Å; L298-I302 PolarHBondContact O-N 3.32Å
299K50.4Low38.8Very low149 Ų14991.9 Ų91.965%0.64849%0.492SS*.Hα-helixtrans-64.1-38174.4-79.2174.9177.5178.40111.9R295 S296 I302 S303R295-K299 WeakPolarHBondContact O-CB 3.34Å; R295-K299 VanDerWaalsContact O-CG 3.31Å; R295-K299 WeakPolarHBondContact O-CG 3.23Å; R295-K299 PolarHBondContact O-N 3.02Å; S296-K299 PolarHBondContact O-N 2.94Å; S296-K299 VanDerWaalsContact O-N 3.12Å; K299-I302 PolarHBondContact O-N 2.94Å; K299-S303 VanDerWaalsContact O-CB 3.3Å; K299-S303 WeakPolarHBondContact O-CB 3.4Å; K299-S303 PolarHBondContact O-N 3.45Å; K299-S303 PolarHBondContact O-OG 3.3Å; K299-S303 VanDerWaalsContact O-OG 3.05Å
300E49.5Very low38.7Very low113 Ų11390.7 Ų90.753%0.52849%0.486SS..Hα-helixtrans-66.6-47.3178-167.6166.3-147.800110.7S296 L298 I302 S303 G304S296-E300 WeakPolarHBondContact O-CB 3.2Å; S296-E300 PolarHBondContact O-N 3.31Å; L298-E300 VanDerWaalsContact C-N 3.33Å; E300-I302 VanDerWaalsContact C-N 3.31Å; E300-I302 PolarHBondContact O-N 2.95Å; E300-S303 PolarHBondContact O-N 3.23Å; E300-S303 PolarHBondContact O-OG 2.93Å; E300-G304 PolarHBondContact O-N 3.46Å
301A43.8Very low38.8Very low55 Ų5597.2 Ų97.246%0.45550%0.504SS..Hα-helixtrans-57.5-39.6172.600000113.2L297L297-A301 WeakPolarHBondContact O-CB 3.35Å; L297-A301 PolarHBondContact O-N 2.92Å
302I39.9Very low38.2Very low118 Ų118102.5 Ų102.561%0.60553%0.53SS*.Hα-helixtrans-72.2-37.9177.3-68.8165000112L298 K299 E300L298-I302 HydrophobicContact CD2-CD1 4.3Å; L298-I302 HydrophobicContact CG-CD1 4.41Å; L298-I302 WeakPolarHBondContact O-CB 3.46Å; L298-I302 WeakPolarHBondContact O-CD1 3.1Å; L298-I302 VanDerWaalsContact O-CG1 3.23Å; L298-I302 WeakPolarHBondContact O-CG1 3.38Å; L298-I302 PolarHBondContact O-N 3.32Å; K299-I302 PolarHBondContact O-N 2.94Å; E300-I302 VanDerWaalsContact C-N 3.31Å; E300-I302 PolarHBondContact O-N 2.95Å
303S37.8Very low37.8Very low67 Ų67105.1 Ų105.147%0.46955%0.547SS..Hα-helixtrans-82.2-36.4-176.868.50000113.6K299 E300 A305 R306K299-S303 VanDerWaalsContact O-CB 3.3Å; K299-S303 WeakPolarHBondContact O-CB 3.4Å; K299-S303 PolarHBondContact O-N 3.45Å; K299-S303 PolarHBondContact O-OG 3.3Å; K299-S303 VanDerWaalsContact O-OG 3.05Å; E300-S303 PolarHBondContact O-N 3.23Å; E300-S303 PolarHBondContact O-OG 2.93Å; S303-A305 VanDerWaalsContact C-N 3.26Å; S303-A305 PolarHBondContact O-N 3.21Å; S303-R306 WeakPolarHBondContact O-CB 3.23Å; S303-R306 PolarHBondContact O-N 2.8Å
304G37Very low37.2Very low47 Ų47114.2 Ų114.249%0.48557%0.574SS.*Hα-helixtrans-60.3-36.3175.400000112.2E300 R306 K307E300-G304 PolarHBondContact O-N 3.46Å; G304-R306 PolarHBondContact O-N 3.3Å; G304-R306 VanDerWaalsContact O-N 3.16Å; G304-K307 PolarHBondContact O-N 2.8Å
305A32.9Very low37Very low26 Ų26117.2 Ų117.222%0.21560%0.596CS.*THydrogen-bonded Turntrans-67.7-9.9174.300000114.5S303 P366S303-A305 VanDerWaalsContact C-N 3.26Å; S303-A305 PolarHBondContact O-N 3.21Å; A305-P366 HydrophobicContact CB-CB 3.77Å; A305-P366 HydrophobicContact CB-CG 4.28Å
306R31Very low36.6Very low229 Ų229114.5 Ų114.586%0.86459%0.593SS**THydrogen-bonded Turntrans-100.2-8.6179.2-132.3-180-162.5-175.85.8113.9S303 G304S303-R306 WeakPolarHBondContact O-CB 3.23Å; S303-R306 PolarHBondContact O-N 2.8Å; G304-R306 PolarHBondContact O-N 3.3Å; G304-R306 VanDerWaalsContact O-N 3.16Å
307K30.4Very low36Very low179 Ų179113.5 Ų113.578%0.77859%0.593SS**SBendtrans-130.659.4-176-75.9-172.3174.1-177.40113G304G304-K307 PolarHBondContact O-N 2.8Å
308T27.6Very low35.5Very low84 Ų84116.9 Ų116.952%0.51561%0.612SS.*  trans173.1106.1139.929.90000110.1R363T308-R363 VanDerWaalsContact CB-NH1 3.33Å; T308-R363 PolarHBondContact OG1-NH1 3.47Å
309I29.8Very low35.1Very low118 Ų118115.2 Ų115.261%0.60561%0.609SS**  trans-136.784.7168.5-54.6-178.9000108.2F311I309-F311 HydrophobicContact CG2-CD2 3.58Å; I309-F311 HydrophobicContact CG2-CE1 4.27Å; I309-F311 HydrophobicContact CG2-CE2 3.21Å; I309-F311 HydrophobicContact CG2-CG 4.27Å; I309-F311 HydrophobicContact CG2-CZ 3.6Å
310S26.3Very low34.3Very low103 Ų103112.8 Ų112.872%0.7260%0.599SS**  trans-98.6128.2148.354.60000106.3
311F30Very low33.8Very low177 Ų177110.6 Ų110.678%0.77659%0.593SS**  trans-93.699.6177.3-75.4-78.8000108.9I309I309-F311 HydrophobicContact CG2-CD2 3.58Å; I309-F311 HydrophobicContact CG2-CE1 4.27Å; I309-F311 HydrophobicContact CG2-CE2 3.21Å; I309-F311 HydrophobicContact CG2-CG 4.27Å; I309-F311 HydrophobicContact CG2-CZ 3.6Å
312D28.4Very low33.7Very low142 Ų142110.4 Ų110.476%0.75959%0.589SS**  trans-118.1148.7161.2-67.2-57.5000108.4
313D28.7Very low34Very low157 Ų157110.9 Ų110.984%0.8459%0.587SS**  trans-54.9136.3-166.7-58.8-64.6000115
314Y29.8Very low34.2Very low233 Ų233111 Ų11191%0.91458%0.584SS**  trans-169.3133.5144-114.6-75.7000112.8D316Y314-D316 PolarHBondContact O-N 2.91Å
315D36.5Very low34.7Very low150 Ų150114.8 Ų114.880%0.80258%0.584SS**THydrogen-bonded Turntrans-97.129.5-164.6-160.521.5000115.3
316D40.7Very low35.4Very low97 Ų97119.5 Ų119.552%0.51960%0.6SS.*THydrogen-bonded Turntrans-123.5-1.5-175.3-166.940.2000115.4Y314 D318 A319Y314-D316 PolarHBondContact O-N 2.91Å; D316-D318 VanDerWaalsContact C-N 3.28Å; D316-D318 PolarHBondContact O-N 3.35Å; D316-D318 VanDerWaalsContact O-N 3.15Å; D316-A319 PolarHBondContact O-N 2.93Å
317G33.5Very low36.3Very low47 Ų47113.5 Ų113.549%0.48558%0.58SS.*Hα-helixtrans-61.8-27.3-174.300000115.7A319 V321G317-A319 VanDerWaalsContact C-N 3.3Å; G317-A319 PolarHBondContact O-N 3.17Å; G317-V321 WeakPolarHBondContact O-CG2 3.24Å; G317-V321 PolarHBondContact O-N 2.84Å
318D36.9Very low36.9Very low92 Ų92107.8 Ų107.849%0.49256%0.555SS.*Hα-helixtrans-66.4-28.9-176.7-94.53.8000113D316 S322D316-D318 VanDerWaalsContact C-N 3.28Å; D316-D318 PolarHBondContact O-N 3.35Å; D316-D318 VanDerWaalsContact O-N 3.15Å; D318-S322 PolarHBondContact O-N 3.46Å
319A36Very low37.9Very low37 Ų37107.4 Ų107.431%0.30655%0.553SS.*Hα-helixtrans-70.7-48.5-179.900000111.4D316 G317 S322 F323D316-A319 PolarHBondContact O-N 2.93Å; G317-A319 VanDerWaalsContact C-N 3.3Å; G317-A319 PolarHBondContact O-N 3.17Å; A319-S322 PolarHBondContact O-N 2.89Å; A319-S322 PolarHBondContact O-OG 3.35Å; A319-F323 PolarHBondContact O-N 3.36Å; A319-F323 VanDerWaalsContact O-N 3.13Å
320Q34.7Very low38.8Very low98 Ų98106 Ų10646%0.45854%0.544SS..Hα-helixtrans-66.3-40-178.1-60.4-172.215.100112.1S322 F323 V324Q320-S322 VanDerWaalsContact C-N 3.26Å; Q320-S322 PolarHBondContact O-N 3.44Å; Q320-F323 PolarHBondContact O-N 3.15Å; Q320-F323 VanDerWaalsContact O-N 3.16Å; Q320-V324 WeakPolarHBondContact O-CG2 3.4Å; Q320-V324 PolarHBondContact O-N 3.45Å
321V38.5Very low39.6Very low66 Ų66101.6 Ų101.640%0.452%0.515SS..Hα-helixtrans-59.8-37.8174.2173.60000111.4G317 R325G317-V321 WeakPolarHBondContact O-CG2 3.24Å; G317-V321 PolarHBondContact O-N 2.84Å; V321-R325 WeakPolarHBondContact O-CB 3.46Å; V321-R325 PolarHBondContact O-N 3.43Å
322S41.8Very low40.1Very low51 Ų5197.2 Ų97.236%0.35750%0.499SS..Hα-helixtrans-68.9-36.3176.680.80000112.9D318 A319 Q320 K326D318-S322 PolarHBondContact O-N 3.46Å; A319-S322 PolarHBondContact O-N 2.89Å; A319-S322 PolarHBondContact O-OG 3.35Å; Q320-S322 VanDerWaalsContact C-N 3.26Å; Q320-S322 PolarHBondContact O-N 3.44Å; S322-K326 WeakPolarHBondContact O-CB 3.46Å; S322-K326 PolarHBondContact O-N 3.3Å
323F45.4Very low40.8Very low129 Ų129100.9 Ų100.957%0.56650%0.502SS*.Hα-helixtrans-68.3-48.8177.1-179.4-97.3000111.9A319 Q320 R325 K326 K327A319-F323 PolarHBondContact O-N 3.36Å; A319-F323 VanDerWaalsContact O-N 3.13Å; Q320-F323 PolarHBondContact O-N 3.15Å; Q320-F323 VanDerWaalsContact O-N 3.16Å; F323-R325 VanDerWaalsContact C-N 3.33Å; F323-R325 PolarHBondContact O-N 2.96Å; F323-K326 PolarHBondContact O-N 3.16Å; F323-K327 HydrophobicContact CD1-CG 4.41Å; F323-K327 HydrophobicContact CE1-CG 4Å; F323-K327 HydrophobicContact CE2-CG 4.49Å; F323-K327 HydrophobicContact CZ-CG 4.05Å; F323-K327 WeakPolarHBondContact O-CB 3.36Å; F323-K327 PolarHBondContact O-N 3.34Å
324V43.4Very low41.4Very low69 Ų6995.7 Ų95.742%0.41848%0.478SS..Hα-helixtrans-60.4-43.9175.7174.50000110.6Q320 K326 K327 F328Q320-V324 WeakPolarHBondContact O-CG2 3.4Å; Q320-V324 PolarHBondContact O-N 3.45Å; V324-K326 PolarHBondContact O-N 3.01Å; V324-K327 PolarHBondContact O-N 2.88Å; V324-F328 VanDerWaalsContact O-CB 3.24Å; V324-F328 WeakPolarHBondContact O-CB 3.28Å; V324-F328 PolarHBondContact O-N 3.46Å
325R46.7Very low42Very low126 Ų12691.5 Ų91.548%0.47548%0.477SS..Hα-helixtrans-58.6-44.3175-179.3177.9-80167.9-11.2111.8V321 F323 T329 E371V321-R325 WeakPolarHBondContact O-CB 3.46Å; V321-R325 PolarHBondContact O-N 3.43Å; F323-R325 VanDerWaalsContact C-N 3.33Å; F323-R325 PolarHBondContact O-N 2.96Å; R325-T329 PolarHBondContact O-N 2.86Å; R325-T329 VanDerWaalsContact O-N 3.1Å; R325-T329 PolarHBondContact O-OG1 2.9Å; R325-T329 VanDerWaalsContact O-OG1 3.06Å; R325-E371 IonicContact NH2-OE1 3.75Å; R325-E371 PolarHBondContact NH2-OE1 2.8Å
326K48.3Very low42.8Very low125 Ų12586.6 Ų86.654%0.54345%0.454SS..Hα-helixtrans-65.2-51.3178.4-166.6-172.4-176.7-153.30111.8S322 F323 V324 F328 T329 E330S322-K326 WeakPolarHBondContact O-CB 3.46Å; S322-K326 PolarHBondContact O-N 3.3Å; F323-K326 PolarHBondContact O-N 3.16Å; V324-K326 PolarHBondContact O-N 3.01Å; K326-F328 VanDerWaalsContact C-N 3.28Å; K326-F328 PolarHBondContact O-N 3.48Å; K326-T329 WeakPolarHBondContact CA-OG1 3.16Å; K326-T329 PolarHBondContact O-N 2.89Å; K326-T329 VanDerWaalsContact O-N 3.13Å; K326-T329 PolarHBondContact O-OG1 2.71Å; K326-E330 WeakPolarHBondContact CE-OE1 3.15Å; K326-E330 IonicContact NZ-OE1 2.71Å; K326-E330 PolarHBondContact NZ-OE1 2.82Å; K326-E330 WeakPolarHBondContact O-CG 3.43Å; K326-E330 PolarHBondContact O-N 3.13Å
327K48.3Very low43Very low103 Ų10388.1 Ų88.145%0.44846%0.458SS..Hα-helixtrans-56.4-39.9175.7-86.1-80.8-173.2169.30112.3F323 V324 E330 G331F323-K327 HydrophobicContact CD1-CG 4.41Å; F323-K327 HydrophobicContact CE1-CG 4Å; F323-K327 HydrophobicContact CE2-CG 4.49Å; F323-K327 HydrophobicContact CZ-CG 4.05Å; F323-K327 WeakPolarHBondContact O-CB 3.36Å; F323-K327 PolarHBondContact O-N 3.34Å; V324-K327 PolarHBondContact O-N 2.88Å; K327-E330 PolarHBondContact O-N 3.18Å; K327-G331 PolarHBondContact O-N 2.99Å
328F44.7Very low43.8Very low59 Ų5989.2 Ų89.226%0.25946%0.463SS..Hα-helixtrans-65.2-43.3175.9-172.2-108.4000112V324 K326 E330 G331 L332 L344 L375V324-F328 VanDerWaalsContact O-CB 3.24Å; V324-F328 WeakPolarHBondContact O-CB 3.28Å; V324-F328 PolarHBondContact O-N 3.46Å; K326-F328 VanDerWaalsContact C-N 3.28Å; K326-F328 PolarHBondContact O-N 3.48Å; F328-E330 VanDerWaalsContact C-N 3.32Å; F328-E330 PolarHBondContact O-N 3.45Å; F328-G331 PolarHBondContact O-N 3.34Å; F328-L332 HydrophobicContact CD1-CD1 3.81Å; F328-L332 HydrophobicContact CE1-CD1 3.53Å; F328-L332 HydrophobicContact CE1-CG 4.45Å; F328-L332 HydrophobicContact CG-CD1 4.48Å; F328-L332 HydrophobicContact CZ-CD1 3.98Å; F328-L332 WeakPolarHBondContact O-CB 3.13Å; F328-L332 VanDerWaalsContact O-CG 3.28Å; F328-L332 WeakPolarHBondContact O-CG 3.48Å; F328-L332 PolarHBondContact O-N 3.26Å; F328-L344 HydrophobicContact CE2-CD1 4.11Å; F328-L375 HydrophobicContact CE1-CD1 4.28Å
329T48Very low44.4Very low77 Ų7788.2 Ų88.247%0.47246%0.457SS..Hα-helixtrans-68-26.1171.940.50000114.5R325 K326R325-T329 PolarHBondContact O-N 2.86Å; R325-T329 VanDerWaalsContact O-N 3.1Å; R325-T329 PolarHBondContact O-OG1 2.9Å; R325-T329 VanDerWaalsContact O-OG1 3.06Å; K326-T329 WeakPolarHBondContact CA-OG1 3.16Å; K326-T329 PolarHBondContact O-N 2.89Å; K326-T329 VanDerWaalsContact O-N 3.13Å; K326-T329 PolarHBondContact O-OG1 2.71Å
330E49.2Very low44.9Very low89 Ų8988 Ų8842%0.41646%0.456SS..Hα-helixtrans-75.5-43.4174.1-73168.8174.700111.1K326 K327 F328 L332 R333 S334K326-E330 WeakPolarHBondContact CE-OE1 3.15Å; K326-E330 IonicContact NZ-OE1 2.71Å; K326-E330 PolarHBondContact NZ-OE1 2.82Å; K326-E330 WeakPolarHBondContact O-CG 3.43Å; K326-E330 PolarHBondContact O-N 3.13Å; K327-E330 PolarHBondContact O-N 3.18Å; F328-E330 VanDerWaalsContact C-N 3.32Å; F328-E330 PolarHBondContact O-N 3.45Å; E330-L332 VanDerWaalsContact C-N 3.31Å; E330-L332 PolarHBondContact O-N 3.43Å; E330-R333 WeakPolarHBondContact O-CA 3.37Å; E330-R333 WeakPolarHBondContact O-CB 3.38Å; E330-R333 PolarHBondContact O-N 3.45Å; E330-S334 PolarHBondContact O-N 3.43Å
331G41.6Very low45.7Very low10 Ų1084.5 Ų84.510%0.10344%0.442CS..Hα-helixtrans-69-23.6173.800000114.3K327 F328 R333 S334K327-G331 PolarHBondContact O-N 2.99Å; F328-G331 PolarHBondContact O-N 3.34Å; G331-R333 PolarHBondContact O-N 2.99Å; G331-S334 PolarHBondContact O-OG 3.17Å
332L40.6Very low46.3Very low85 Ų8584.4 Ų84.445%0.44545%0.445SS..THydrogen-bonded Turntrans-76.8-6168.1-73.9171.5000113.5F328 E330F328-L332 HydrophobicContact CD1-CD1 3.81Å; F328-L332 HydrophobicContact CE1-CD1 3.53Å; F328-L332 HydrophobicContact CE1-CG 4.45Å; F328-L332 HydrophobicContact CG-CD1 4.48Å; F328-L332 HydrophobicContact CZ-CD1 3.98Å; F328-L332 WeakPolarHBondContact O-CB 3.13Å; F328-L332 VanDerWaalsContact O-CG 3.28Å; F328-L332 WeakPolarHBondContact O-CG 3.48Å; F328-L332 PolarHBondContact O-N 3.26Å; E330-L332 VanDerWaalsContact C-N 3.31Å; E330-L332 PolarHBondContact O-N 3.43Å
333R43.5Very low46.7Very low218 Ų21884.1 Ų84.182%0.82344%0.442SS*.THydrogen-bonded Turntrans-100.8-12.7172.8-78.3177.9165.5-173.1-4.4113.6E330 G331E330-R333 WeakPolarHBondContact O-CA 3.37Å; E330-R333 WeakPolarHBondContact O-CB 3.38Å; E330-R333 PolarHBondContact O-N 3.45Å; G331-R333 PolarHBondContact O-N 2.99Å
334S41.6Very low46.9Very low48 Ų4879.3 Ų79.334%0.33642%0.422SS..SBendtrans-74.6144.2172.5440000111.6E330 G331 S336E330-S334 PolarHBondContact O-N 3.43Å; G331-S334 PolarHBondContact O-OG 3.17Å; S334-S336 VanDerWaalsContact C-N 3.34Å; S334-S336 PolarHBondContact O-N 3.41Å
335T43Very low47.2Very low146 Ų14680.7 Ų80.790%0.89642%0.423SS*.SBendtrans-88.323.2-154.647.10000115.9
336S51.5Low47.5Very low47 Ų4777.5 Ų77.533%0.32942%0.423SS..  trans-144.415117086.40000113.1S334 A338 D339 A340S334-S336 VanDerWaalsContact C-N 3.34Å; S334-S336 PolarHBondContact O-N 3.41Å; S336-A338 PolarHBondContact O-N 3.47Å; S336-A338 PolarHBondContact OG-N 3.25Å; S336-D339 WeakPolarHBondContact CB-OD2 3.43Å; S336-D339 PolarHBondContact O-N 3.41Å; S336-D339 PolarHBondContact OG-N 3.34Å; S336-D339 PolarHBondContact OG-OD2 3.34Å; S336-A340 PolarHBondContact O-N 2.71Å; S336-A340 VanDerWaalsContact O-N 3.13Å
337E45.6Very low47.4Very low129 Ų12974.8 Ų74.860%0.60341%0.414SS*.Hα-helixtrans-65.7-25.8173.1-72.8-169.7152.700112.4S341 R386E337-S341 WeakPolarHBondContact O-CB 3.49Å; E337-S341 PolarHBondContact O-N 3.2Å; E337-R386 IonicContact OE1-CZ 2.74Å; E337-R386 IonicContact OE1-NH1 3.5Å; E337-R386 PolarHBondContact OE1-NH1 2.87Å; E337-R386 IonicContact OE1-NH2 3.55Å
338A49.4Very low47.3Very low70 Ų7073.8 Ų73.858%0.57941%0.413SS*.Hα-helixtrans-64.9-41.1172.500000111.2S336 S342S336-A338 PolarHBondContact O-N 3.47Å; S336-A338 PolarHBondContact OG-N 3.25Å; A338-S342 VanDerWaalsContact O-CB 3.23Å; A338-S342 WeakPolarHBondContact O-CB 3.42Å; A338-S342 PolarHBondContact O-N 3.21Å; A338-S342 PolarHBondContact O-OG 2.99Å; A338-S342 VanDerWaalsContact O-OG 3.1Å
339D50.1Low47.5Very low70 Ų7077 Ų7737%0.37443%0.429SS..Hα-helixtrans-70.8-37.8177.6-58.6-45.1000112.4S336 S342 S343S336-D339 WeakPolarHBondContact CB-OD2 3.43Å; S336-D339 PolarHBondContact O-N 3.41Å; S336-D339 PolarHBondContact OG-N 3.34Å; S336-D339 PolarHBondContact OG-OD2 3.34Å; D339-S342 WeakPolarHBondContact CA-OG 3.31Å; D339-S342 PolarHBondContact O-OG 3.08Å; D339-S342 VanDerWaalsContact O-OG 3.11Å; D339-S343 WeakPolarHBondContact O-CB 3.39Å; D339-S343 PolarHBondContact O-N 3.18Å; D339-S343 PolarHBondContact O-OG 3.42Å
340A47.8Very low47.1Very low33 Ų3376.3 Ų76.327%0.27344%0.437SS..Hα-helixtrans-67.2-41.9175.200000111.5S336 L344S336-A340 PolarHBondContact O-N 2.71Å; S336-A340 VanDerWaalsContact O-N 3.13Å; A340-L344 WeakPolarHBondContact O-CB 3.3Å; A340-L344 PolarHBondContact O-N 3.03Å
341S49.9Very low46.5Very low25 Ų2578.3 Ų78.318%0.17545%0.45CS..Hα-helixtrans-71.3-37.5176.6-168.80000112.4E337 K345E337-S341 WeakPolarHBondContact O-CB 3.49Å; E337-S341 PolarHBondContact O-N 3.2Å; S341-K345 WeakPolarHBondContact O-CB 3.33Å; S341-K345 PolarHBondContact O-N 2.75Å
342S51.9Low46Very low64 Ų6482 Ų8245%0.44848%0.48SS..Hα-helixtrans-70.4-38.6176.369.50000111.4A338 D339 K345 A346A338-S342 VanDerWaalsContact O-CB 3.23Å; A338-S342 WeakPolarHBondContact O-CB 3.42Å; A338-S342 PolarHBondContact O-N 3.21Å; A338-S342 PolarHBondContact O-OG 2.99Å; A338-S342 VanDerWaalsContact O-OG 3.1Å; D339-S342 WeakPolarHBondContact CA-OG 3.31Å; D339-S342 PolarHBondContact O-OG 3.08Å; D339-S342 VanDerWaalsContact O-OG 3.11Å; S342-K345 PolarHBondContact O-N 3Å; S342-A346 VanDerWaalsContact O-CB 3.28Å; S342-A346 WeakPolarHBondContact O-CB 3.39Å; S342-A346 PolarHBondContact O-N 3.33Å
343S49.6Very low45.6Very low44 Ų4484.5 Ų84.531%0.30850%0.499SS..Hα-helixtrans-64.3-42.9173.8-630000112.2D339 L347D339-S343 WeakPolarHBondContact O-CB 3.39Å; D339-S343 PolarHBondContact O-N 3.18Å; D339-S343 PolarHBondContact O-OG 3.42Å; S343-L347 WeakPolarHBondContact O-CB 3.46Å; S343-L347 WeakPolarHBondContact O-CD1 3.5Å; S343-L347 VanDerWaalsContact O-CG 3.28Å; S343-L347 WeakPolarHBondContact O-CG 3.35Å; S343-L347 PolarHBondContact O-N 3.27Å
344L49.3Very low45Very low28 Ų2876.6 Ų76.615%0.14749%0.485CS..Hα-helixtrans-65.2-41174.9179.158.7000111.5Y294 L297 F328 A340 L347 L348Y294-L344 HydrophobicContact CD2-CD2 4.39Å; L297-L344 HydrophobicContact CB-CD2 3.76Å; L297-L344 HydrophobicContact CB-CG 4.17Å; L297-L344 HydrophobicContact CD1-CB 4.47Å; L297-L344 HydrophobicContact CD1-CD2 3.9Å; L297-L344 HydrophobicContact CD1-CG 4Å; L297-L344 HydrophobicContact CG-CD2 4.47Å; F328-L344 HydrophobicContact CE2-CD1 4.11Å; A340-L344 WeakPolarHBondContact O-CB 3.3Å; A340-L344 PolarHBondContact O-N 3.03Å; L344-L347 PolarHBondContact O-N 3.46Å; L344-L348 HydrophobicContact CD1-CD1 3.95Å; L344-L348 HydrophobicContact CG-CD1 4.08Å; L344-L348 WeakPolarHBondContact O-CD1 3.33Å; L344-L348 WeakPolarHBondContact O-CG 3.32Å; L344-L348 PolarHBondContact O-N 2.93Å
345K51.5Low44.3Very low99 Ų9980.3 Ų80.343%0.4351%0.508SS..Hα-helixtrans-66.9-45.5177.8-171.9174.5178-175.60112L297 S341 S342 L347 L348 E349L297-K345 HydrophobicContact CD1-CB 4.41Å; S341-K345 WeakPolarHBondContact O-CB 3.33Å; S341-K345 PolarHBondContact O-N 2.75Å; S342-K345 PolarHBondContact O-N 3Å; K345-L347 VanDerWaalsContact C-N 3.31Å; K345-L347 PolarHBondContact O-N 2.92Å; K345-L348 PolarHBondContact O-N 2.99Å; K345-E349 WeakPolarHBondContact CE-OE1 3.49Å; K345-E349 WeakPolarHBondContact CE-OE2 3.37Å; K345-E349 HydrophobicContact CG-CG 4.22Å; K345-E349 WeakPolarHBondContact CG-OE2 3.34Å; K345-E349 IonicContact NZ-OE1 3.65Å; K345-E349 WeakPolarHBondContact O-CB 3.23Å; K345-E349 PolarHBondContact O-N 3.16Å
346A51.1Low43.5Very low58 Ų5881 Ų8148%0.47951%0.505SS..Hα-helixtrans-63-34.117500000113S342 L348 G350S342-A346 VanDerWaalsContact O-CB 3.28Å; S342-A346 WeakPolarHBondContact O-CB 3.39Å; S342-A346 PolarHBondContact O-N 3.33Å; A346-L348 VanDerWaalsContact C-N 3.27Å; A346-L348 PolarHBondContact O-N 3.31Å; A346-G350 PolarHBondContact O-N 2.97Å
347L46.9Very low42.3Very low69 Ų6982.4 Ų82.436%0.36153%0.527SS..Hα-helixtrans-67.8-23.5172.1-80.5167.6000113.6S343 L344 K345S343-L347 WeakPolarHBondContact O-CB 3.46Å; S343-L347 WeakPolarHBondContact O-CD1 3.5Å; S343-L347 VanDerWaalsContact O-CG 3.28Å; S343-L347 WeakPolarHBondContact O-CG 3.35Å; S343-L347 PolarHBondContact O-N 3.27Å; L344-L347 PolarHBondContact O-N 3.46Å; K345-L347 VanDerWaalsContact C-N 3.31Å; K345-L347 PolarHBondContact O-N 2.92Å
348L47.1Very low41.5Very low81 Ų8182.1 Ų82.142%0.42453%0.533SS..Hα-helixtrans-97.4-36.4-178.8-74.8165.1000112.9L297 L344 K345 A346L297-L348 HydrophobicContact CB-CD1 3.97Å; L297-L348 HydrophobicContact CD2-CD1 3.56Å; L297-L348 HydrophobicContact CG-CD1 4.26Å; L344-L348 HydrophobicContact CD1-CD1 3.95Å; L344-L348 HydrophobicContact CG-CD1 4.08Å; L344-L348 WeakPolarHBondContact O-CD1 3.33Å; L344-L348 WeakPolarHBondContact O-CG 3.32Å; L344-L348 PolarHBondContact O-N 2.93Å; K345-L348 PolarHBondContact O-N 2.99Å; A346-L348 VanDerWaalsContact C-N 3.27Å; A346-L348 PolarHBondContact O-N 3.31Å
349E48.2Very low40.3Very low128 Ų12882.9 Ų82.960%0.59855%0.548SS*.Hα-helixtrans-82.5-13.5179.7-68.5179.8159.400113.1K345 D351K345-E349 WeakPolarHBondContact CE-OE1 3.49Å; K345-E349 WeakPolarHBondContact CE-OE2 3.37Å; K345-E349 HydrophobicContact CG-CG 4.22Å; K345-E349 WeakPolarHBondContact CG-OE2 3.34Å; K345-E349 IonicContact NZ-OE1 3.65Å; K345-E349 WeakPolarHBondContact O-CB 3.23Å; K345-E349 PolarHBondContact O-N 3.16Å; E349-D351 VanDerWaalsContact C-N 3.29Å; E349-D351 PolarHBondContact O-N 3.2Å
350G40.7Very low39.3Very low61 Ų6183.1 Ų83.163%0.62956%0.56SS**THydrogen-bonded Turntrans67.825.3170.700000114.4A346 A352A346-G350 PolarHBondContact O-N 2.97Å; G350-A352 PolarHBondContact O-N 3.36Å
351D35.6Very low38.6Very low131 Ų13190.1 Ų90.170%0.70158%0.584SS**  trans-73.6114.9-167.4-158.27.8000112.3E349 T353E349-D351 VanDerWaalsContact C-N 3.29Å; E349-D351 PolarHBondContact O-N 3.2Å; D351-T353 PolarHBondContact O-N 2.86Å
352A31.6Very low37.9Very low88 Ų8892.8 Ų92.873%0.72761%0.608SS**  trans-94.886.8-165.200000111.8G350G350-A352 PolarHBondContact O-N 3.36Å
353T31.3Very low37Very low138 Ų13898 Ų9885%0.84762%0.617SS**  trans-122.646.616951.20000112.5D351D351-T353 PolarHBondContact O-N 2.86Å
354G31.6Very low36.6Very low51 Ų5198.4 Ų98.453%0.52663%0.629SS.*SBendtrans-134.5148.4170.500000111.4
355P25.7Very low36.2Very low126 Ų126106 Ų10682%0.81866%0.66SS**SBendtrans-64.4151.9171.930.3-34.5000109.6
356I27.8Very low35.9Very low161 Ų161105.2 Ų105.283%0.82667%0.666SS**SBendtrans82.880.3-165.6-47.8158.2000111.5
357G24.9Very low35.6Very low77 Ų77108.4 Ų108.479%0.79467%0.669SS**  trans-76.3124.6173.200000112.1
358V29.2Very low35.7Very low122 Ų122107.2 Ų107.274%0.73967%0.667SS**  trans-140.6102.5163.6-176.10000108.2A360V358-A360 PolarHBondContact O-N 3.32Å
359G25.2Very low35.7Very low86 Ų86107.4 Ų107.489%0.88766%0.664SS**  trans-83108173.100000111.1
360A29.1Very low35.7Very low76 Ų76103.7 Ų103.763%0.62865%0.65SS**  trans-156.4140.2169.200000111.8V358 A362V358-A360 PolarHBondContact O-N 3.32Å; A360-A362 PolarHBondContact O-N 3.4Å
361K32.4Very low36.1Very low180 Ų180103.8 Ų103.878%0.78363%0.634SS**  trans-63100.1175.7-77.7173.9170.9171.10111.3R363K361-R363 PolarHBondContact O-N 3.05Å; K361-R363 VanDerWaalsContact O-N 3.07Å
362A34.9Very low36.8Very low80 Ų8099.8 Ų99.866%0.66162%0.619SS**  trans-70.599174.600000111.5A360A360-A362 PolarHBondContact O-N 3.4Å
363R33Very low37.8Very low173 Ų17398.3 Ų98.365%0.65360%0.599SS**  trans-102.8112.8174.2-66.1-171.3-118.5-171.35.4110.4T308 K361T308-R363 VanDerWaalsContact CB-NH1 3.33Å; T308-R363 PolarHBondContact OG1-NH1 3.47Å; K361-R363 PolarHBondContact O-N 3.05Å; K361-R363 VanDerWaalsContact O-N 3.07Å
364G41.6Very low38.8Very low53 Ų5397 Ų9755%0.54658%0.583SS.*PPolyproline II helixtrans-96.2154.2178.400000113.8
365K40.7Very low39.9Very low187 Ų18797 Ų9781%0.81357%0.571SS**PPolyproline II helixtrans-68.5146.4172.2-72176.4177.7172.10111.2
366P44.8Very low41.1Very low83 Ų8396.9 Ų96.954%0.53956%0.559SS.*PPolyproline II helixtrans-61.3148.1173.821.6-30.1000112.6A305A305-P366 HydrophobicContact CB-CB 3.77Å; A305-P366 HydrophobicContact CB-CG 4.28Å
367F44.7Very low42.5Very low125 Ų12595 Ų9555%0.54855%0.547SS..PPolyproline II helixtrans-60.7140.4170.3-72.7-74.2000111.8E371F367-E371 HydrophobicContact CB-CB 4.35Å; F367-E371 HydrophobicContact CD1-CB 3.84Å
368S50Low43.8Very low45 Ų4595.1 Ų95.132%0.31554%0.535SS..PPolyproline II helixtrans-69.7155.9165.565.90000111.3T370 E371 A372S368-T370 PolarHBondContact O-N 3.12Å; S368-T370 VanDerWaalsContact O-N 3.17Å; S368-E371 WeakPolarHBondContact CB-OE2 3.39Å; S368-E371 PolarHBondContact N-OE2 3.3Å; S368-E371 PolarHBondContact O-N 3.24Å; S368-E371 WeakPolarHBondContact OG-CG 3.28Å; S368-E371 PolarHBondContact OG-N 3.05Å; S368-E371 PolarHBondContact OG-OE2 2.96Å; S368-A372 PolarHBondContact O-N 2.82Å
369F46Very low44.7Very low84 Ų8491.9 Ų91.937%0.36851%0.514SS..Hα-helixtrans-53.6-36.7176.7-178.2-107.4000112.8F63 A372 I373F63-F369 HydrophobicContact CD2-CZ 4.46Å; F369-A372 PolarHBondContact O-N 3.07Å; F369-I373 HydrophobicContact CD1-CD1 3.9Å; F369-I373 HydrophobicContact CE1-CD1 3.4Å; F369-I373 HydrophobicContact CE1-CG1 4.47Å; F369-I373 HydrophobicContact CE2-CD1 4.31Å; F369-I373 HydrophobicContact CZ-CD1 3.64Å; F369-I373 HydrophobicContact CZ-CG1 4.47Å; F369-I373 WeakPolarHBondContact O-CG1 3.36Å; F369-I373 PolarHBondContact O-N 3Å
370T47.8Very low45.7Very low50 Ų5090.5 Ų90.531%0.30749%0.49SS..Hα-helixtrans-66.9-43.2176.2-45.80000112.2S368 A372 I373 Q374S368-T370 PolarHBondContact O-N 3.12Å; S368-T370 VanDerWaalsContact O-N 3.17Å; T370-A372 VanDerWaalsContact C-N 3.33Å; T370-I373 PolarHBondContact O-N 3.02Å; T370-Q374 WeakPolarHBondContact O-CG 3.5Å; T370-Q374 PolarHBondContact O-N 3.41Å
371E50.9Low46.4Very low63 Ų6388 Ų8829%0.29447%0.473SS..Hα-helixtrans-65.4-38.6175.6-71.8164.2120.600111R325 F367 S368 Q374 L375R325-E371 IonicContact NH2-OE1 3.75Å; R325-E371 PolarHBondContact NH2-OE1 2.8Å; F367-E371 HydrophobicContact CB-CB 4.35Å; F367-E371 HydrophobicContact CD1-CB 3.84Å; S368-E371 WeakPolarHBondContact CB-OE2 3.39Å; S368-E371 PolarHBondContact N-OE2 3.3Å; S368-E371 PolarHBondContact O-N 3.24Å; S368-E371 WeakPolarHBondContact OG-CG 3.28Å; S368-E371 PolarHBondContact OG-N 3.05Å; S368-E371 PolarHBondContact OG-OE2 2.96Å; E371-Q374 PolarHBondContact O-N 2.75Å; E371-L375 VanDerWaalsContact O-CB 3.29Å; E371-L375 WeakPolarHBondContact O-CB 3.15Å; E371-L375 PolarHBondContact O-N 2.97Å
372A50.4Low46.8Very low47 Ų4781.1 Ų81.139%0.38845%0.449SS..Hα-helixtrans-62.6-41.3175.500000112.5S368 F369 T370 H376S368-A372 PolarHBondContact O-N 2.82Å; F369-A372 PolarHBondContact O-N 3.07Å; T370-A372 VanDerWaalsContact C-N 3.33Å; A372-H376 WeakPolarHBondContact O-CB 3.35Å; A372-H376 PolarHBondContact O-N 3.11Å
373I52.1Low47Very low57 Ų5779.5 Ų79.529%0.29244%0.435SS..Hα-helixtrans-65.4-47.4173.6-71.7174.7000111.1F369 T370 L375 H376 E377F369-I373 HydrophobicContact CD1-CD1 3.9Å; F369-I373 HydrophobicContact CE1-CD1 3.4Å; F369-I373 HydrophobicContact CE1-CG1 4.47Å; F369-I373 HydrophobicContact CE2-CD1 4.31Å; F369-I373 HydrophobicContact CZ-CD1 3.64Å; F369-I373 HydrophobicContact CZ-CG1 4.47Å; F369-I373 WeakPolarHBondContact O-CG1 3.36Å; F369-I373 PolarHBondContact O-N 3Å; T370-I373 PolarHBondContact O-N 3.02Å; I373-L375 VanDerWaalsContact C-N 3.28Å; I373-L375 PolarHBondContact O-N 3.39Å; I373-H376 WeakPolarHBondContact O-CB 3.35Å; I373-H376 PolarHBondContact O-N 3.29Å; I373-H376 VanDerWaalsContact O-N 3.1Å; I373-E377 HydrophobicContact CG2-CG 4.33Å; I373-E377 PolarHBondContact O-N 3.12Å
374Q52Low47.4Very low110 Ų11074.3 Ų74.351%0.51443%0.43SS..Hα-helixtrans-62.3-36.4178.7-74.5-179-23.700112.3T370 E371 S378T370-Q374 WeakPolarHBondContact O-CG 3.5Å; T370-Q374 PolarHBondContact O-N 3.41Å; E371-Q374 PolarHBondContact O-N 2.75Å; Q374-S378 VanDerWaalsContact O-CB 3.31Å; Q374-S378 WeakPolarHBondContact O-CB 3.39Å; Q374-S378 PolarHBondContact O-N 3.01Å; Q374-S378 PolarHBondContact O-OG 2.89Å
375L54.5Low47.5Very low52 Ų5279.5 Ų79.527%0.27243%0.433SS..Hα-helixtrans-63.4-47.4172.6-156.489000110.4F328 E371 I373 S378 L379F328-L375 HydrophobicContact CE1-CD1 4.28Å; E371-L375 VanDerWaalsContact O-CB 3.29Å; E371-L375 WeakPolarHBondContact O-CB 3.15Å; E371-L375 PolarHBondContact O-N 2.97Å; I373-L375 VanDerWaalsContact C-N 3.28Å; I373-L375 PolarHBondContact O-N 3.39Å; L375-S378 PolarHBondContact O-N 3.04Å; L375-L379 HydrophobicContact CD2-CD1 4.12Å; L375-L379 HydrophobicContact CG-CD1 4.11Å; L375-L379 WeakPolarHBondContact O-CB 3.47Å; L375-L379 WeakPolarHBondContact O-CD1 3.17Å; L375-L379 WeakPolarHBondContact O-CG 3.39Å; L375-L379 PolarHBondContact O-N 3.36Å
376H51.7Low47.6Very low124 Ų12476.7 Ų76.757%0.57442%0.417SS*.Hα-helixtrans-60.7-48.6177.8-175.1-78000112.2A372 I373 S378 L379 S380A372-H376 WeakPolarHBondContact O-CB 3.35Å; A372-H376 PolarHBondContact O-N 3.11Å; I373-H376 WeakPolarHBondContact O-CB 3.35Å; I373-H376 PolarHBondContact O-N 3.29Å; I373-H376 VanDerWaalsContact O-N 3.1Å; H376-S378 VanDerWaalsContact C-N 3.32Å; H376-S378 PolarHBondContact O-N 3.48Å; H376-L379 PolarHBondContact O-N 2.8Å; H376-S380 PolarHBondContact CE1-OG 3.11Å; H376-S380 VanDerWaalsContact CE1-OG 3.26Å; H376-S380 PolarHBondContact ND1-OG 2.72Å; H376-S380 WeakPolarHBondContact O-CB 3.4Å; H376-S380 PolarHBondContact O-N 2.94Å; H376-S380 PolarHBondContact O-OG 3.04Å; H376-S380 VanDerWaalsContact O-OG 3.1Å
377E56.9Low47.7Very low120 Ų12079 Ų7956%0.56142%0.42SS*.Hα-helixtrans-58.6-42.5175.7-72.5179.4160.500111.8I373 S380 G381I373-E377 HydrophobicContact CG2-CG 4.33Å; I373-E377 PolarHBondContact O-N 3.12Å; E377-S380 PolarHBondContact O-N 3.42Å; E377-G381 PolarHBondContact O-N 2.59Å
378S51.8Low47.9Very low80 Ų8078.4 Ų78.456%0.55942%0.423SS*.Hα-helixtrans-63.5-41.4176.7-59.80000112.1Q374 L375 H376 A382Q374-S378 VanDerWaalsContact O-CB 3.31Å; Q374-S378 WeakPolarHBondContact O-CB 3.39Å; Q374-S378 PolarHBondContact O-N 3.01Å; Q374-S378 PolarHBondContact O-OG 2.89Å; L375-S378 PolarHBondContact O-N 3.04Å; H376-S378 VanDerWaalsContact C-N 3.32Å; H376-S378 PolarHBondContact O-N 3.48Å; S378-A382 VanDerWaalsContact O-CB 3.31Å; S378-A382 WeakPolarHBondContact O-CB 3.24Å; S378-A382 PolarHBondContact O-N 3.36Å
379L47.7Very low47.8Very low54 Ų5479.5 Ų79.528%0.28343%0.43SS..Hα-helixtrans-69.5-44.3177.4-70.7165.3000111.8Y294 L375 H376 A382 A383Y294-L379 WeakPolarHBondContact OH-CD1 3.49Å; L375-L379 HydrophobicContact CD2-CD1 4.12Å; L375-L379 HydrophobicContact CG-CD1 4.11Å; L375-L379 WeakPolarHBondContact O-CB 3.47Å; L375-L379 WeakPolarHBondContact O-CD1 3.17Å; L375-L379 WeakPolarHBondContact O-CG 3.39Å; L375-L379 PolarHBondContact O-N 3.36Å; H376-L379 PolarHBondContact O-N 2.8Å; L379-A382 PolarHBondContact O-N 3.18Å; L379-A383 PolarHBondContact O-N 2.94Å
380S46.1Very low47.8Very low57 Ų5778.2 Ų78.240%0.39943%0.432SS..Hα-helixtrans-62.1-43.8175.1-62.10000111.7H376 E377 A382 A383 A384H376-S380 PolarHBondContact CE1-OG 3.11Å; H376-S380 VanDerWaalsContact CE1-OG 3.26Å; H376-S380 PolarHBondContact ND1-OG 2.72Å; H376-S380 WeakPolarHBondContact O-CB 3.4Å; H376-S380 PolarHBondContact O-N 2.94Å; H376-S380 PolarHBondContact O-OG 3.04Å; H376-S380 VanDerWaalsContact O-OG 3.1Å; E377-S380 PolarHBondContact O-N 3.42Å; S380-A382 VanDerWaalsContact C-N 3.32Å; S380-A382 PolarHBondContact O-N 3.37Å; S380-A383 PolarHBondContact O-N 3.13Å; S380-A384 PolarHBondContact O-N 3.19Å
381G44.2Very low47.6Very low25 Ų2582 Ų8226%0.25845%0.446SS..Hα-helixtrans-65.7-32.2175.300000113.5E377 R385E377-G381 PolarHBondContact O-N 2.59Å; G381-R385 PolarHBondContact O-N 3.38Å
382A41.9Very low47.4Very low34 Ų3482.9 Ų82.928%0.28146%0.456SS..Hα-helixtrans-76-25.4173.200000113.4S378 L379 S380 R386S378-A382 VanDerWaalsContact O-CB 3.31Å; S378-A382 WeakPolarHBondContact O-CB 3.24Å; S378-A382 PolarHBondContact O-N 3.36Å; L379-A382 PolarHBondContact O-N 3.18Å; S380-A382 VanDerWaalsContact C-N 3.32Å; S380-A382 PolarHBondContact O-N 3.37Å; A382-R386 WeakPolarHBondContact O-CG 2.95Å; A382-R386 PolarHBondContact O-NE 3.24Å
383A39Very low47.3Very low46 Ų4687.2 Ų87.238%0.3847%0.468SS..Hα-helixtrans-74.9-44.2170.600000111.5L379 S380 R385 R386 H387L379-A383 PolarHBondContact O-N 2.94Å; S380-A383 PolarHBondContact O-N 3.13Å; A383-R385 PolarHBondContact O-N 3.33Å; A383-R386 WeakPolarHBondContact O-CB 3.23Å; A383-R386 PolarHBondContact O-N 2.97Å; A383-R386 VanDerWaalsContact O-N 3.09Å; A383-H387 PolarHBondContact O-N 2.96Å
384A40.7Very low47.1Very low64 Ų6489.8 Ų89.853%0.52948%0.482SS..Hα-helixtrans-58.5-46.517800000112.4S380 R386 H387 D388S380-A384 PolarHBondContact O-N 3.19Å; A384-R386 PolarHBondContact O-N 3.3Å; A384-H387 PolarHBondContact O-N 2.86Å; A384-D388 PolarHBondContact O-N 3.32Å
385R43.9Very low46.8Very low162 Ų16289.7 Ų89.761%0.61149%0.485SS*.Hα-helixtrans-62.5-27176.3-73.6-173.1-64.9-93.5-0.9113.9G381 A383 S389G381-R385 PolarHBondContact O-N 3.38Å; A383-R385 PolarHBondContact O-N 3.33Å; R385-S389 WeakPolarHBondContact O-CB 3.28Å; R385-S389 PolarHBondContact O-N 3.39Å; R385-S389 PolarHBondContact O-OG 3.16Å
386R43.4Very low46.6Very low129 Ų12994.4 Ų94.449%0.48750%0.504SS..Hα-helixtrans-72.2-41.3176.1-79.9-175.3-80.9162.2-6.7111.8E337 A382 A383 A384 S389 S390E337-R386 IonicContact OE1-CZ 2.74Å; E337-R386 IonicContact OE1-NH1 3.5Å; E337-R386 PolarHBondContact OE1-NH1 2.87Å; E337-R386 IonicContact OE1-NH2 3.55Å; A382-R386 WeakPolarHBondContact O-CG 2.95Å; A382-R386 PolarHBondContact O-NE 3.24Å; A383-R386 WeakPolarHBondContact O-CB 3.23Å; A383-R386 PolarHBondContact O-N 2.97Å; A383-R386 VanDerWaalsContact O-N 3.09Å; A384-R386 PolarHBondContact O-N 3.3Å; R386-S389 PolarHBondContact O-N 2.82Å; R386-S390 PolarHBondContact O-N 3.22Å; R386-S390 VanDerWaalsContact O-N 3.09Å; R386-S390 PolarHBondContact O-OG 3.44Å; R386-S390 VanDerWaalsContact O-OG 3.12Å
387H46.4Very low46.4Very low131 Ų13193 Ų9361%0.60650%0.504SS*.Hα-helixtrans-60.9-46.2177.8-139.7-76.8000111.9A383 A384 S389 S390 E391A383-H387 PolarHBondContact O-N 2.96Å; A384-H387 PolarHBondContact O-N 2.86Å; H387-S389 VanDerWaalsContact C-N 3.27Å; H387-S389 PolarHBondContact O-N 3.02Å; H387-S390 WeakPolarHBondContact CA-OG 3.11Å; H387-S390 PolarHBondContact O-N 3.46Å; H387-S390 PolarHBondContact O-OG 2.94Å; H387-E391 IonicContact ND1-OE2 3.52Å; H387-E391 PolarHBondContact O-N 3.02Å
388D49.2Very low46Very low112 Ų11295 Ų9560%0.59951%0.513SS*.Hα-helixtrans-62.5-33.4177.3-151.919.6000112A384 V392A384-D388 PolarHBondContact O-N 3.32Å; D388-V392 WeakPolarHBondContact O-CG2 2.8Å; D388-V392 PolarHBondContact O-N 3.45Å
389S46.5Very low45.7Very low68 Ų6898.9 Ų98.948%0.47652%0.52SS..Hα-helixtrans-74.6-34.9177.5-58.50000112.9R385 R386 H387 Q393R385-S389 WeakPolarHBondContact O-CB 3.28Å; R385-S389 PolarHBondContact O-N 3.39Å; R385-S389 PolarHBondContact O-OG 3.16Å; R386-S389 PolarHBondContact O-N 2.82Å; H387-S389 VanDerWaalsContact C-N 3.27Å; H387-S389 PolarHBondContact O-N 3.02Å; S389-Q393 PolarHBondContact O-N 2.81Å
390S46.5Very low45.6Very low57 Ų57103.2 Ų103.240%0.39954%0.543SS..Hα-helixtrans-68.5-43.2174.834.90000112.6R386 H387 V392 Q393 D394R386-S390 PolarHBondContact O-N 3.22Å; R386-S390 VanDerWaalsContact O-N 3.09Å; R386-S390 PolarHBondContact O-OG 3.44Å; R386-S390 VanDerWaalsContact O-OG 3.12Å; H387-S390 WeakPolarHBondContact CA-OG 3.11Å; H387-S390 PolarHBondContact O-N 3.46Å; H387-S390 PolarHBondContact O-OG 2.94Å; S390-V392 VanDerWaalsContact C-N 3.28Å; S390-V392 PolarHBondContact O-N 2.92Å; S390-Q393 PolarHBondContact O-N 3.45Å; S390-Q393 VanDerWaalsContact O-N 3.12Å; S390-D394 PolarHBondContact O-N 3.38Å
391E44Very low45.6Very low129 Ų129109.2 Ų109.260%0.60356%0.562SS**Hα-helixtrans-60.4-36.5177.8-99169.9104.700112.4H387 Q393H387-E391 IonicContact ND1-OE2 3.52Å; H387-E391 PolarHBondContact O-N 3.02Å; E391-Q393 VanDerWaalsContact C-N 3.34Å; E391-Q393 PolarHBondContact O-N 2.83Å
392V47.1Very low45.5Very low83 Ų83113.6 Ų113.650%0.50359%0.589SS.*Hα-helixtrans-74-20.2178.6174.10000113.5D388 S390D388-V392 WeakPolarHBondContact O-CG2 2.8Å; D388-V392 PolarHBondContact O-N 3.45Å; S390-V392 VanDerWaalsContact C-N 3.28Å; S390-V392 PolarHBondContact O-N 2.92Å
393Q47.1Very low45.6Very low138 Ų138116.7 Ų116.765%0.64561%0.608SS**Hα-helixtrans-88.1-31.4176.6-76-173.4-93.400113.3S389 S390 E391 T397S389-Q393 PolarHBondContact O-N 2.81Å; S390-Q393 PolarHBondContact O-N 3.45Å; S390-Q393 VanDerWaalsContact O-N 3.12Å; E391-Q393 VanDerWaalsContact C-N 3.34Å; E391-Q393 PolarHBondContact O-N 2.83Å; Q393-T397 PolarHBondContact O-N 3.34Å; Q393-T397 PolarHBondContact O-OG1 3.25Å
394D47.4Very low45.9Very low110 Ų110122.7 Ų122.759%0.58863%0.634SS**Hα-helixtrans-70.3-42.2177-77.3-28.4000112.1S390 K396 T397 Q398S390-D394 PolarHBondContact O-N 3.38Å; D394-K396 VanDerWaalsContact C-N 3.28Å; D394-K396 PolarHBondContact O-N 3.1Å; D394-T397 PolarHBondContact O-N 3.25Å; D394-Q398 PolarHBondContact O-N 3.35Å
395D47.6Very low45.8Very low108 Ų108123 Ų12358%0.57864%0.644SS**Hα-helixtrans-62.6-31.7177.8-174.148.5000113
396K48.6Very low45.7Very low152 Ų152126.9 Ų126.966%0.66166%0.659SS**Hα-helixtrans-75.7-26.4172.8-77.5-176.5177.2175.90113.7D394D394-K396 VanDerWaalsContact C-N 3.28Å; D394-K396 PolarHBondContact O-N 3.1Å
397T48.7Very low45.3Very low93 Ų93126.7 Ų126.757%0.57167%0.674SS**Hα-helixtrans-88.2-21.7-177-50.80000112.1Q393 D394Q393-T397 PolarHBondContact O-N 3.34Å; Q393-T397 PolarHBondContact O-OG1 3.25Å; D394-T397 PolarHBondContact O-N 3.25Å
398Q47.5Very low45.1Very low162 Ų162125.6 Ų125.676%0.75768%0.681SS**Hα-helixtrans-84.7-13.7-179.3-149.3168.415.800114.1D394D394-Q398 PolarHBondContact O-N 3.35Å
399K45Very low44.7Very low163 Ų163129.3 Ų129.371%0.70970%0.695SS**THydrogen-bonded Turntrans-84.8-19.7-173.9-144.8164-168.9161.20115.3
400D46.3Very low44.2Very low145 Ų145134.1 Ų134.178%0.77571%0.713SS**THydrogen-bonded Turntrans-102.315.1-171.9-71.4-17.1000114.8
401K46.7Very low43.6Very low182 Ų182136.5 Ų136.579%0.79173%0.73SS**  trans-119.89.4-177.7-77.8-176176.5174.70116.2S403K401-S403 PolarHBondContact O-N 3.32Å
402S41.1Very low43.6Very low117 Ų117140.4 Ų140.482%0.81876%0.762SS**  trans-98.763.8-177.5-176.50000113.9
403S45Very low43.4Very low99 Ų99143.3 Ų143.369%0.69278%0.775SS**  trans-151.275.9169.466.70000113.9K401K401-S403 PolarHBondContact O-N 3.32Å
404N44.9Very low43.2Very low173 Ų173143.6 Ų143.693%0.92578%0.782SS**  173.6134.6129.9-93.7-27.1000113
405G39Very low43Very low71 Ų71145.4 Ų145.473%0.73279%0.793SS**  99.554.3118.200000121.5
406R40.8Very low42.7Very low243 Ų243147.6 Ų147.692%0.91781%0.806SS**  trans70.1134.1141.3-168.9-179.5-87.3-163.5-5.7119.3
407P34.9Very low42.3Very low124 Ų124147.4 Ų147.481%0.80582%0.815SS**  trans-104.2140179.738.1-32.3000115.6
408S43.2Very low41.9Very low108 Ų108151 Ų15176%0.75583%0.831SS**  trans-175.2135.3159.747.90000105.3
409E41.2Very low41.5Very low191 Ų191150.2 Ų150.289%0.89384%0.836SS**  cis-153173.527.3-127167.3131.100110.7
410I34.9Very low41.3Very low169 Ų169149.2 Ų149.287%0.86785%0.846SS**  trans-103.8141.6176.6-65.8168.1000109.7
411S35.4Very low40.8Very low106 Ų106149.6 Ų149.674%0.74185%0.852SS**  trans140.1106.2145178.70000113.4
412V43.2Very low40.3Very low212 Ų212146.6 Ų146.6100%1.28586%0.857SS**  -149.6098.4171.60000107.4

Retrieved 412 of 412 residues in 117.8 ms (Link to these results)

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