A0A060VVE1_ONCMY Loading...

2-oxoglutarate and iron-dependent oxygenase JMJD4

AlphaFold DB , UniProt , Accession A0A060VVE1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 431 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
1M88.9Confident81.8Confident22 Ų2257.5 Ų57.511%0.10830%0.296CS..  01280179.8-177.1-73.400107.6Y6 F42 L371 H374 H375 F378M1-Y6 HydrophobicContact SD-CD2 4.46Å; M1-F42 HydrophobicContact CE-CD1 4.11Å; M1-F42 HydrophobicContact CE-CD2 3.85Å; M1-F42 HydrophobicContact CE-CE1 3.75Å; M1-F42 HydrophobicContact CE-CE2 3.44Å; M1-F42 VanDerWaalsContact CE-CE2 3.44Å; M1-F42 HydrophobicContact CE-CG 4.17Å; M1-F42 HydrophobicContact CE-CZ 3.4Å; M1-L371 PolarHBondContact N-O 2.96Å; M1-H374 HydrophobicContact CB-CB 4.44Å; M1-H374 HydrophobicContact CG-CB 4.39Å; M1-H374 HydrophobicContact SD-CB 4.46Å; M1-H375 HydrophobicContact CB-CB 3.88Å; M1-H375 HydrophobicContact CE-CB 4.45Å; M1-F378 HydrophobicContact CE-CB 4.12Å; M1-F378 HydrophobicContact CE-CD1 4.07Å; M1-F378 HydrophobicContact CE-CG 4.09Å; M1-F378 HydrophobicContact SD-CB 4.14Å
2D88Confident80.2Confident59 Ų5957.1 Ų57.132%0.31629%0.294SS..  trans-81.9161.5175.558.249.1000111.9E4 S5 Y6 S39D2-E4 VanDerWaalsContact C-N 3.31Å; D2-E4 PolarHBondContact O-N 3.5Å; D2-S5 PolarHBondContact O-N 3.11Å; D2-S5 WeakPolarHBondContact OD1-CB 3.34Å; D2-S5 PolarHBondContact OD1-N 3.05Å; D2-S5 PolarHBondContact OD1-OG 2.81Å; D2-Y6 PolarHBondContact O-N 3.18Å; D2-S39 VanDerWaalsContact CG-OG 3.27Å; D2-S39 PolarHBondContact N-OG 3.32Å; D2-S39 WeakPolarHBondContact OD2-CB 3.31Å; D2-S39 PolarHBondContact OD2-OG 3.29Å
3R85.7Confident78.8Confident94 Ų9459.8 Ų59.836%0.35531%0.314SS..Hα-helixtrans-59.1-39.4-177.7-178179.2170.6178.7-0.4113Y6 H7 Y429 Q430R3-Y6 PolarHBondContact O-N 3Å; R3-H7 WeakPolarHBondContact O-CB 3.42Å; R3-H7 PolarHBondContact O-N 3.5Å; R3-Y429 PolarHBondContact NH1-O 3.42Å; R3-Y429 PolarHBondContact NH2-O 2.95Å; R3-Q430 PolarHBondContact NH1-O 3.09Å; R3-Q430 VanDerWaalsContact NH1-O 3.11Å
4E86.3Confident77.7Confident118 Ų11867.9 Ų67.955%0.55135%0.346SS*.Hα-helixtrans-62.2-47.3178.5-172.1-150.2124.300110.6D2 Y6 H7 N8 K43D2-E4 VanDerWaalsContact C-N 3.31Å; D2-E4 PolarHBondContact O-N 3.5Å; E4-Y6 VanDerWaalsContact C-N 3.33Å; E4-Y6 PolarHBondContact O-N 3.15Å; E4-H7 PolarHBondContact O-N 3.36Å; E4-N8 PolarHBondContact O-N 3.07Å; E4-N8 PolarHBondContact O-ND2 3.32Å; E4-K43 IonicContact OE1-NZ 3.81Å; E4-K43 PolarHBondContact OE1-NZ 3.48Å; E4-K43 IonicContact OE2-NZ 2.68Å
5S86.4Confident77.5Confident2 Ų263.9 Ų63.91%0.01433%0.325CS..Hα-helixtrans-62.5-42.4178.6-55.60000111.2D2 N8 C9 K43D2-S5 PolarHBondContact O-N 3.11Å; D2-S5 WeakPolarHBondContact OD1-CB 3.34Å; D2-S5 PolarHBondContact OD1-N 3.05Å; D2-S5 PolarHBondContact OD1-OG 2.81Å; S5-N8 PolarHBondContact O-N 3.28Å; S5-C9 PolarHBondContact O-N 2.79Å; S5-C9 PolarHBondContact O-SG 3.15Å; S5-K43 WeakPolarHBondContact OG-CD 3.39Å; S5-K43 WeakPolarHBondContact OG-CE 3.46Å; S5-K43 PolarHBondContact OG-NZ 3.48Å
6Y87.4Confident76.7Confident3 Ų366.1 Ų66.11%0.01235%0.349CS..Hα-helixtrans-62-46.9173.9171.5-107.3000112.4M1 D2 R3 E4 N8 C9 C10 H374 A377 F378 Q381M1-Y6 HydrophobicContact SD-CD2 4.46Å; D2-Y6 PolarHBondContact O-N 3.18Å; R3-Y6 PolarHBondContact O-N 3Å; E4-Y6 VanDerWaalsContact C-N 3.33Å; E4-Y6 PolarHBondContact O-N 3.15Å; Y6-N8 PolarHBondContact O-N 3.06Å; Y6-C9 CarbonylContact O-C 3.53Å; Y6-C9 PolarHBondContact O-N 3.23Å; Y6-C9 PolarHBondContact O-SG 3.2Å; Y6-C10 HydrophobicContact CD1-CB 4.38Å; Y6-C10 HydrophobicContact CD2-CB 3.99Å; Y6-C10 HydrophobicContact CE1-CB 4.05Å; Y6-C10 HydrophobicContact CE2-CB 3.6Å; Y6-C10 HydrophobicContact CG-CB 4.37Å; Y6-C10 WeakPolarHBondContact O-CB 3.3Å; Y6-C10 PolarHBondContact O-N 2.98Å; Y6-H374 AromaticContact CD1-CD2 3.73Å; Y6-H374 VanDerWaalsContact CD2-O 3.27Å; Y6-H374 WeakPolarHBondContact CD2-O 3.37Å; Y6-H374 HydrophobicContact CG-CB 4.11Å; Y6-A377 HydrophobicContact CE2-CB 3.84Å; Y6-F378 HydrophobicContact CD2-CB 4.1Å; Y6-F378 HydrophobicContact CE2-CB 4.38Å; Y6-Q381 PolarHBondContact OH-NE2 3.03Å
7H83.3Confident76.3Confident120 Ų12067.3 Ų67.356%0.55635%0.347SS*.Hα-helixtrans-60.5-35.1180-167.763.7000112.4R3 E4 C9 C10R3-H7 WeakPolarHBondContact O-CB 3.42Å; R3-H7 PolarHBondContact O-N 3.5Å; E4-H7 PolarHBondContact O-N 3.36Å; H7-C9 VanDerWaalsContact C-N 3.33Å; H7-C9 PolarHBondContact O-N 3.14Å; H7-C10 PolarHBondContact O-SG 2.9Å
8N79.1Confident75.8Confident91 Ų9170.3 Ų70.349%0.48736%0.359SS..Hα-helixtrans-70.9-25177.2-68.2-23.1000113.4E4 S5 Y6E4-N8 PolarHBondContact O-N 3.07Å; E4-N8 PolarHBondContact O-ND2 3.32Å; S5-N8 PolarHBondContact O-N 3.28Å; Y6-N8 PolarHBondContact O-N 3.06Å
9C80.8Confident75.7Confident2 Ų270.2 Ų70.21%0.01437%0.365CS..Hα-helixtrans-112.4-13.4-177.267.90000115.1S5 Y6 H7 S11 L12 L47 F378S5-C9 PolarHBondContact O-N 2.79Å; S5-C9 PolarHBondContact O-SG 3.15Å; Y6-C9 CarbonylContact O-C 3.53Å; Y6-C9 PolarHBondContact O-N 3.23Å; Y6-C9 PolarHBondContact O-SG 3.2Å; H7-C9 VanDerWaalsContact C-N 3.33Å; H7-C9 PolarHBondContact O-N 3.14Å; C9-S11 PolarHBondContact O-N 3.35Å; C9-L12 HydrophobicContact CB-CD1 3.9Å; C9-L12 VanDerWaalsContact O-CB 3.3Å; C9-L12 WeakPolarHBondContact O-CB 3.47Å; C9-L12 PolarHBondContact O-N 3.04Å; C9-L47 HydrophobicContact CB-CD2 4.32Å; C9-F378 HydrophobicContact CB-CD2 4.19Å; C9-F378 HydrophobicContact CB-CE2 3.96Å; C9-F378 WeakPolarHBondContact SG-CD2 3.22Å
10C69.4Low76.1Confident30 Ų3068 Ų6820%0.20335%0.352CS..THydrogen-bonded Turntrans-70-15.3-173.568.30000114.4Y6 H7 Q381Y6-C10 HydrophobicContact CD1-CB 4.38Å; Y6-C10 HydrophobicContact CD2-CB 3.99Å; Y6-C10 HydrophobicContact CE1-CB 4.05Å; Y6-C10 HydrophobicContact CE2-CB 3.6Å; Y6-C10 HydrophobicContact CG-CB 4.37Å; Y6-C10 WeakPolarHBondContact O-CB 3.3Å; Y6-C10 PolarHBondContact O-N 2.98Å; H7-C10 PolarHBondContact O-SG 2.9Å; C10-Q381 PolarHBondContact O-OE1 2.83Å; C10-Q381 VanDerWaalsContact O-OE1 3.07Å
11S64.2Low76.1Confident91 Ų9171.2 Ų71.264%0.63637%0.366SS*.THydrogen-bonded Turntrans-95.8-4.217458.70000112.9C9 V13C9-S11 PolarHBondContact O-N 3.35Å; S11-V13 VanDerWaalsContact C-N 3.34Å; S11-V13 PolarHBondContact O-N 3.06Å
12L62.8Low75.6Confident53 Ų5374.6 Ų74.628%0.27738%0.381SS..  trans-76.287.7-178.6-61.9176.8000110C9 K14 I15 L47 R382C9-L12 HydrophobicContact CB-CD1 3.9Å; C9-L12 VanDerWaalsContact O-CB 3.3Å; C9-L12 WeakPolarHBondContact O-CB 3.47Å; C9-L12 PolarHBondContact O-N 3.04Å; L12-K14 VanDerWaalsContact C-N 3.32Å; L12-I15 HydrophobicContact CB-CG1 4.47Å; L12-L47 HydrophobicContact CD1-CD1 4.38Å; L12-L47 HydrophobicContact CD1-CD2 4.21Å; L12-R382 PolarHBondContact O-NH1 2.68Å
13V62.6Low75.3Confident92 Ų9272.8 Ų72.856%0.55837%0.371SS*.SBendtrans-62.6-45.9164.8-179.20000108.7S11 R382 H385S11-V13 VanDerWaalsContact C-N 3.34Å; S11-V13 PolarHBondContact O-N 3.06Å; V13-R382 PolarHBondContact O-NH1 3.23Å; V13-H385 WeakPolarHBondContact CG1-CE1 3.42Å; V13-H385 WeakPolarHBondContact CG1-ND1 3.46Å; V13-H385 PolarHBondContact O-CD2 3.27Å; V13-H385 PolarHBondContact O-NE2 2.92Å
14K63.3Low74.9Confident174 Ų17470.5 Ų70.576%0.75737%0.369SS*.SBendtrans-116.5125.1172.2-163.5173.9-175.4177.40109.7L12 S16L12-K14 VanDerWaalsContact C-N 3.32Å; K14-S16 PolarHBondContact O-N 3.28Å
15I74.4Confident74Confident7 Ų769.6 Ų69.64%0.03638%0.375CS..  trans-75.7109.2174.7-61.9171.9000107.2L12 R17 L47 C285L12-I15 HydrophobicContact CB-CG1 4.47Å; I15-R17 PolarHBondContact O-N 3.12Å; I15-L47 HydrophobicContact CD1-CD1 3.97Å; I15-L47 HydrophobicContact CG1-CD1 4.22Å; I15-L47 HydrophobicContact CG2-CD1 3.9Å; I15-L47 HydrophobicContact CG2-CG 4.43Å; I15-C285 VanDerWaalsContact CD1-O 3.28Å; I15-C285 WeakPolarHBondContact CD1-O 2.87Å
16S64.2Low73.2Confident100 Ų10072 Ų7270%0.69939%0.392SS*.PPolyproline II helixtrans-68.3118.8174.6-175.70000108.9K14K14-S16 PolarHBondContact O-N 3.28Å
17R69.9Low72.6Confident86 Ų8677.8 Ų77.833%0.32542%0.419SS..PPolyproline II helixtrans-91.5126.7175.4-64.7168.5-161.4-132.1-15.3108I15 D288I15-R17 PolarHBondContact O-N 3.12Å; R17-D288 IonicContact CZ-OD2 3.33Å; R17-D288 IonicContact NH2-OD1 3.36Å; R17-D288 IonicContact NH2-OD2 2.86Å; R17-D288 PolarHBondContact NH2-OD2 3.44Å
18Q67Low72.6Confident121 Ų12178.1 Ų78.157%0.56542%0.419SS*.PPolyproline II helixtrans-68155.2175.1-65.2-179.2-5.300109.5Y20Q18-Y20 PolarHBondContact O-N 3.38Å
19S74.6Confident73.1Confident68 Ų6875 Ų7548%0.47640%0.403SS..PPolyproline II helixtrans-58.8136.8170.4177.10000109.6E21S19-E21 PolarHBondContact O-N 3.33Å; S19-E21 WeakPolarHBondContact OG-CB 3.41Å; S19-E21 WeakPolarHBondContact OG-CG 3.28Å; S19-E21 PolarHBondContact OG-N 3.07Å; S19-E21 PolarHBondContact OG-OE1 3.26Å
20Y82.8Confident73.7Confident26 Ų2677.1 Ų77.110%0.10241%0.414CS..  trans-85.78.7175.9-58.6-65.4000113.1Q18 Q22 F23 C24 N49 P209 P210 W264Q18-Y20 PolarHBondContact O-N 3.38Å; Y20-Q22 PolarHBondContact O-N 3.44Å; Y20-F23 HydrophobicContact CD1-CD2 4.17Å; Y20-F23 HydrophobicContact CD1-CE2 4.24Å; Y20-F23 WeakPolarHBondContact O-CB 3.48Å; Y20-F23 PolarHBondContact O-N 3.21Å; Y20-C24 PolarHBondContact O-N 3.4Å; Y20-N49 WeakPolarHBondContact OH-CB 3.36Å; Y20-N49 PolarHBondContact OH-ND2 3.04Å; Y20-P209 HydrophobicContact CD2-CB 4.3Å; Y20-P209 HydrophobicContact CG-CB 3.97Å; Y20-P210 HydrophobicContact CD2-CB 4.42Å; Y20-P210 HydrophobicContact CD2-CG 4.28Å; Y20-P210 HydrophobicContact CE2-CB 4.03Å; Y20-P210 HydrophobicContact CE2-CG 3.76Å; Y20-W264 AromaticContact CD1-CZ2 3.94Å; Y20-W264 HydrophobicContact CD1-CZ2 3.94Å; Y20-W264 HydrophobicContact CE1-CZ2 4.3Å
21E77.4Confident74.9Confident137 Ų13780.1 Ų80.164%0.6442%0.422SS*.Hα-helixtrans-50.3-31.6179.2-83.2162.1-12700114.1S19 F23 C24 S25S19-E21 PolarHBondContact O-N 3.33Å; S19-E21 WeakPolarHBondContact OG-CB 3.41Å; S19-E21 WeakPolarHBondContact OG-CG 3.28Å; S19-E21 PolarHBondContact OG-N 3.07Å; S19-E21 PolarHBondContact OG-OE1 3.26Å; E21-F23 PolarHBondContact O-N 3.06Å; E21-C24 WeakPolarHBondContact O-CB 3.41Å; E21-C24 PolarHBondContact O-N 3.4Å; E21-C24 VanDerWaalsContact O-N 3.1Å; E21-S25 PolarHBondContact O-N 3.07Å; E21-S25 PolarHBondContact O-OG 2.83Å
22Q78.6Confident76.4Confident92 Ų9276.3 Ų76.343%0.4339%0.394SS..Hα-helixtrans-60.2-32.2176.167.4179.3-6.100112.6Y20 S25 S26 H50Y20-Q22 PolarHBondContact O-N 3.44Å; Q22-S25 PolarHBondContact O-OG 2.93Å; Q22-S26 WeakPolarHBondContact O-CB 3.35Å; Q22-S26 PolarHBondContact O-N 3.3Å; Q22-H50 PolarHBondContact NE2-CE1 2.93Å; Q22-H50 VanDerWaalsContact NE2-CE1 3.26Å; Q22-H50 PolarHBondContact NE2-NE2 3.11Å
23F81.6Confident77.6Confident21 Ų2179.4 Ų79.49%0.09241%0.407CS..Hα-helixtrans-84.8-18.7178-60.4-72.8000112.5Y20 E21 S25 H50 P51 P209 W264Y20-F23 HydrophobicContact CD1-CD2 4.17Å; Y20-F23 HydrophobicContact CD1-CE2 4.24Å; Y20-F23 WeakPolarHBondContact O-CB 3.48Å; Y20-F23 PolarHBondContact O-N 3.21Å; E21-F23 PolarHBondContact O-N 3.06Å; F23-S25 VanDerWaalsContact C-N 3.29Å; F23-H50 AromaticContact CE2-CD2 3.53Å; F23-H50 AromaticContact CE2-CG 3.99Å; F23-H50 AromaticContact CE2-NE2 3.85Å; F23-H50 HydrophobicContact CZ-CB 4.04Å; F23-H50 AromaticContact CZ-CD2 3.89Å; F23-H50 AromaticContact CZ-CG 3.86Å; F23-P51 HydrophobicContact CD1-CG 4.44Å; F23-P51 HydrophobicContact CE1-CG 3.97Å; F23-P51 HydrophobicContact CZ-CG 4.28Å; F23-P209 HydrophobicContact CB-CG 3.8Å; F23-W264 HydrophobicContact CB-CH2 3.88Å; F23-W264 AromaticContact CD1-CH2 3.98Å; F23-W264 HydrophobicContact CD1-CH2 3.98Å; F23-W264 AromaticContact CD2-CH2 3.54Å; F23-W264 HydrophobicContact CD2-CH2 3.54Å; F23-W264 AromaticContact CD2-CZ2 3.83Å; F23-W264 HydrophobicContact CD2-CZ2 3.83Å; F23-W264 HydrophobicContact CE1-CH2 4.39Å; F23-W264 AromaticContact CE2-CH2 3.99Å; F23-W264 HydrophobicContact CE2-CH2 3.99Å; F23-W264 AromaticContact CE2-CZ2 3.96Å; F23-W264 HydrophobicContact CE2-CZ2 3.96Å; F23-W264 AromaticContact CG-CH2 3.54Å; F23-W264 HydrophobicContact CG-CH2 3.54Å; F23-W264 HydrophobicContact CG-CZ2 4.3Å; F23-W264 HydrophobicContact CG-CZ3 4.5Å; F23-W264 HydrophobicContact CZ-CH2 4.4Å
24C76.5Confident78.4Confident47 Ų4783 Ų8332%0.31842%0.416SS..Hα-helixtrans-74.6-22.8170.4-56.80000112.2Y20 E21 C245Y20-C24 PolarHBondContact O-N 3.4Å; E21-C24 WeakPolarHBondContact O-CB 3.41Å; E21-C24 PolarHBondContact O-N 3.4Å; E21-C24 VanDerWaalsContact O-N 3.1Å; C24-C245 HydrophobicContact CB-CB 3.52Å
25S68.1Low79.1Confident98 Ų9882.3 Ų82.369%0.68542%0.42SS*.Hα-helixtrans-111.7-15.3-173.753.10000114.1E21 Q22 F23E21-S25 PolarHBondContact O-N 3.07Å; E21-S25 PolarHBondContact O-OG 2.83Å; Q22-S25 PolarHBondContact O-OG 2.93Å; F23-S25 VanDerWaalsContact C-N 3.29Å
26S70.3Confident79.9Confident52 Ų5283.8 Ų83.836%0.36443%0.428SS..  trans-129.8130.2-179-175.40000111Q22 F28Q22-S26 WeakPolarHBondContact O-CB 3.35Å; Q22-S26 PolarHBondContact O-N 3.3Å; S26-F28 PolarHBondContact O-N 3.5Å; S26-F28 VanDerWaalsContact OG-CB 3.27Å; S26-F28 WeakPolarHBondContact OG-CB 3.42Å; S26-F28 PolarHBondContact OG-N 3.21Å
27H74.6Confident81.3Confident126 Ų12681.7 Ų81.758%0.58341%0.413SS*.  trans-8620.8173-60.380.1000111.9L248H27-L248 VanDerWaalsContact C-CD1 3.42Å; H27-L248 WeakPolarHBondContact O-CD1 3.4Å
28F82.1Confident82.5Confident127 Ų12778.6 Ų78.656%0.55740%0.402SS*.  trans-89.5128.9-177.5-179.7-98000111S26 D30S26-F28 PolarHBondContact O-N 3.5Å; S26-F28 VanDerWaalsContact OG-CB 3.27Å; S26-F28 WeakPolarHBondContact OG-CB 3.42Å; S26-F28 PolarHBondContact OG-N 3.21Å; F28-D30 WeakPolarHBondContact CE1-OD1 3.33Å
29V90.2Very high83.8Confident26 Ų2673.2 Ų73.216%0.15838%0.378CS..  trans-117.8134.7167.265.60000108.8Y31 P51 M53 L248 I250V29-Y31 PolarHBondContact O-N 3.27Å; V29-P51 HydrophobicContact CG2-CB 4.44Å; V29-M53 HydrophobicContact CG1-CG 3.89Å; V29-M53 HydrophobicContact CG2-CG 4.16Å; V29-L248 HydrophobicContact CB-CD2 4.22Å; V29-I250 HydrophobicContact CB-CD1 4.13Å; V29-I250 HydrophobicContact CG1-CD1 4Å; V29-I250 HydrophobicContact CG1-CG1 4.13Å; V29-I250 HydrophobicContact CG2-CD1 4.08Å
30D93.8Very high84.7Confident45 Ų4576.1 Ų76.124%0.24138%0.382CS..EExtended strand (participates in β ladder)trans-63.4135.3176.5-84.4-52.1000110.7F28 K44 Y45 C52 M53F28-D30 WeakPolarHBondContact CE1-OD1 3.33Å; D30-K44 IonicContact OD1-NZ 3.13Å; D30-K44 PolarHBondContact OD1-NZ 3.24Å; D30-K44 VanDerWaalsContact OD1-NZ 3.09Å; D30-K44 WeakPolarHBondContact OD2-CE 3.38Å; D30-K44 IonicContact OD2-NZ 3.18Å; D30-K44 PolarHBondContact OD2-NZ 2.93Å; D30-Y45 HydrophobicContact CB-CE1 3.8Å; D30-Y45 VanDerWaalsContact CB-OH 3.31Å; D30-Y45 WeakPolarHBondContact CB-OH 3.43Å; D30-Y45 WeakPolarHBondContact OD2-CE1 3.41Å; D30-Y45 PolarHBondContact OD2-OH 3.34Å; D30-C52 HydrophobicContact CB-CB 4.26Å; D30-C52 WeakPolarHBondContact O-CA 3.44Å; D30-M53 PolarHBondContact O-N 3.07Å
31Y95.1Very high85.4Confident93 Ų9374.9 Ų74.937%0.36538%0.377SS..EExtended strand (participates in β ladder)trans-114.7120.2179.2-163.4-89.9000110.8V29 E33 M53 S55 E256V29-Y31 PolarHBondContact O-N 3.27Å; Y31-E33 HydrophobicContact CD1-CG 3.45Å; Y31-E33 VanDerWaalsContact CD1-CG 3.45Å; Y31-E33 HydrophobicContact CE1-CG 3.58Å; Y31-M53 CarbonylContact C-O 3.58Å; Y31-M53 HydrophobicContact CD2-CB 3.48Å; Y31-M53 VanDerWaalsContact CD2-CB 3.48Å; Y31-M53 HydrophobicContact CD2-CG 4.33Å; Y31-M53 HydrophobicContact CE2-CB 3.98Å; Y31-M53 HydrophobicContact CG-CB 4.32Å; Y31-S55 WeakPolarHBondContact OH-CA 3.45Å; Y31-E256 VanDerWaalsContact CE2-OE1 3.26Å; Y31-E256 WeakPolarHBondContact CE2-OE1 3.45Å; Y31-E256 VanDerWaalsContact CZ-OE1 3.26Å; Y31-E256 PolarHBondContact OH-OE1 3.11Å
32I95.8Very high86.2Confident11 Ų1168.4 Ų68.46%0.05635%0.346CS..EExtended strand (participates in β ladder)trans-100.6105.9-172.3-56.8171000109.4L36 F41 Y45 C52 M53 F54 S55 F58I32-L36 HydrophobicContact CD1-CD2 3.93Å; I32-L36 HydrophobicContact CG2-CB 4.17Å; I32-L36 HydrophobicContact CG2-CD2 4.45Å; I32-F41 HydrophobicContact CD1-CD2 4.35Å; I32-Y45 HydrophobicContact CD1-CD2 4.46Å; I32-Y45 HydrophobicContact CD1-CE2 3.8Å; I32-C52 HydrophobicContact CD1-CB 4.17Å; I32-M53 WeakPolarHBondContact CB-O 3.5Å; I32-M53 PolarHBondContact N-O 3.22Å; I32-F54 HydrophobicContact CB-CD1 4.1Å; I32-F54 HydrophobicContact CB-CE1 4.45Å; I32-F54 HydrophobicContact CB-CG 4.43Å; I32-F54 HydrophobicContact CD1-CD1 4.18Å; I32-F54 HydrophobicContact CD1-CD2 4.44Å; I32-F54 HydrophobicContact CD1-CE1 3.77Å; I32-F54 HydrophobicContact CD1-CE2 4.05Å; I32-F54 HydrophobicContact CD1-CZ 3.72Å; I32-F54 HydrophobicContact CG2-CD1 4.08Å; I32-F54 HydrophobicContact CG2-CE1 4.25Å; I32-S55 PolarHBondContact O-N 3.47Å; I32-S55 PolarHBondContact O-OG 3.45Å; I32-F58 HydrophobicContact CG2-CE2 4.18Å; I32-F58 HydrophobicContact CG2-CZ 4.16Å
33E87.4Confident86.9Confident118 Ų11867.3 Ų67.355%0.55134%0.34SS*.  trans-107.2-16.1-177.8-60-163.2157.300115.8Y31 K57Y31-E33 HydrophobicContact CD1-CG 3.45Å; Y31-E33 VanDerWaalsContact CD1-CG 3.45Å; Y31-E33 HydrophobicContact CE1-CG 3.58Å; E33-K57 PolarHBondContact O-NZ 3.34Å
34K79.4Confident87.5Confident169 Ų16970.8 Ų70.874%0.73536%0.355SS*.SBendtrans-123.7164.3-173.367.5-179.1178.2-174.20110.2L36K34-L36 PolarHBondContact O-N 3.37Å
35D77.2Confident88.3Confident158 Ų15868.9 Ų68.985%0.84534%0.342SS*.  trans-57.9106.1175.8-60.9-36.5000110.5
36L91Very high89.6Confident39 Ų3964.2 Ų64.220%0.20431%0.309CS..  trans-93.7132.9170.5-17566000106.9I32 K34 K40 F41 Y45 F153I32-L36 HydrophobicContact CD1-CD2 3.93Å; I32-L36 HydrophobicContact CG2-CB 4.17Å; I32-L36 HydrophobicContact CG2-CD2 4.45Å; K34-L36 PolarHBondContact O-N 3.37Å; L36-K40 HydrophobicContact CD1-CB 3.5Å; L36-K40 HydrophobicContact CD1-CD 4Å; L36-K40 HydrophobicContact CD1-CG 4.41Å; L36-K40 HydrophobicContact CG-CB 4.06Å; L36-F41 HydrophobicContact CD2-CB 3.74Å; L36-F41 HydrophobicContact CD2-CD2 4.06Å; L36-F41 HydrophobicContact CD2-CG 4.41Å; L36-F41 HydrophobicContact CG-CB 4.31Å; L36-Y45 HydrophobicContact CD2-CD2 4.48Å; L36-Y45 HydrophobicContact CD2-CE2 3.91Å; L36-F153 HydrophobicContact CB-CE1 4.29Å; L36-F153 HydrophobicContact CB-CZ 4.31Å; L36-F153 WeakPolarHBondContact O-CE1 3.45Å; L36-F153 WeakPolarHBondContact O-CZ 3.25Å
37S93.4Very high90.7Very high55 Ų5563.4 Ų63.439%0.38530%0.3SS..  trans-70148.6172.867.30000110.3S39 K40 F41S37-S39 PolarHBondContact O-N 3.28Å; S37-K40 PolarHBondContact O-N 2.78Å; S37-K40 WeakPolarHBondContact OG-CG 3.43Å; S37-K40 PolarHBondContact OG-N 3.03Å; S37-F41 PolarHBondContact O-N 3.26Å
38Y94.8Very high91.5Very high21 Ų2158.2 Ų58.28%0.08228%0.278CS..Hα-helixtrans-50.2-44.7175.6179-89.2000112K40 F41 F42 V152 L371 H375Y38-K40 VanDerWaalsContact C-N 3.33Å; Y38-K40 PolarHBondContact O-N 3.15Å; Y38-F41 WeakPolarHBondContact O-CB 3.33Å; Y38-F41 PolarHBondContact O-N 3.35Å; Y38-F41 VanDerWaalsContact O-N 3.15Å; Y38-F42 HydrophobicContact CD1-CB 4.46Å; Y38-F42 HydrophobicContact CE1-CB 4.08Å; Y38-F42 HydrophobicContact CE1-CD2 4.04Å; Y38-F42 HydrophobicContact CE1-CG 4.4Å; Y38-F42 WeakPolarHBondContact O-CB 3.5Å; Y38-F42 PolarHBondContact O-N 3.45Å; Y38-V152 HydrophobicContact CD2-CG2 4.38Å; Y38-V152 VanDerWaalsContact CD2-O 3.32Å; Y38-V152 WeakPolarHBondContact CD2-O 3.42Å; Y38-V152 WeakPolarHBondContact CE2-O 3.36Å; Y38-L371 HydrophobicContact CD1-CD2 4.14Å; Y38-L371 HydrophobicContact CD2-CD2 3.74Å; Y38-L371 HydrophobicContact CE1-CD2 3.89Å; Y38-L371 HydrophobicContact CE2-CD2 3.46Å; Y38-L371 VanDerWaalsContact CE2-CD2 3.46Å; Y38-L371 HydrophobicContact CG-CD2 4.06Å; Y38-H375 AromaticContact CE1-CD2 3.41Å; Y38-H375 VanDerWaalsContact CE1-CD2 3.41Å; Y38-H375 WeakPolarHBondContact CE1-CD2 3.39Å; Y38-H375 AromaticContact CE1-NE2 3.67Å; Y38-H375 AromaticContact CZ-CD2 3.7Å; Y38-H375 AromaticContact CZ-NE2 3.53Å; Y38-H375 PolarHBondContact OH-CD2 3.02Å; Y38-H375 PolarHBondContact OH-NE2 3.42Å
39S94.8Very high92.1Very high9 Ų952.4 Ų52.46%0.06325%0.252CS..Hα-helixtrans-62-37.3-179.6-51.90000113.7D2 S37 K43D2-S39 VanDerWaalsContact CG-OG 3.27Å; D2-S39 PolarHBondContact N-OG 3.32Å; D2-S39 WeakPolarHBondContact OD2-CB 3.31Å; D2-S39 PolarHBondContact OD2-OG 3.29Å; S37-S39 PolarHBondContact O-N 3.28Å; S39-K43 WeakPolarHBondContact O-CG 3.34Å; S39-K43 PolarHBondContact O-N 2.93Å
40K94.8Very high92.3Very high128 Ų12852.1 Ų52.156%0.55725%0.25SC*.Hα-helixtrans-69.3-40.7175.9-73.4177.4180177.20110.6L36 S37 Y38 K43 K44L36-K40 HydrophobicContact CD1-CB 3.5Å; L36-K40 HydrophobicContact CD1-CD 4Å; L36-K40 HydrophobicContact CD1-CG 4.41Å; L36-K40 HydrophobicContact CG-CB 4.06Å; S37-K40 PolarHBondContact O-N 2.78Å; S37-K40 WeakPolarHBondContact OG-CG 3.43Å; S37-K40 PolarHBondContact OG-N 3.03Å; Y38-K40 VanDerWaalsContact C-N 3.33Å; Y38-K40 PolarHBondContact O-N 3.15Å; K40-K43 PolarHBondContact O-N 3.37Å; K40-K44 VanDerWaalsContact O-CB 3.24Å; K40-K44 WeakPolarHBondContact O-CB 3.26Å; K40-K44 PolarHBondContact O-N 2.94Å
41F95.9Very high92.5Very high0 Ų050.1 Ų50.10%024%0.239CC..Hα-helixtrans-60.5-47.2174.2-179.9-104.3000111.6I32 L36 S37 Y38 K43 K44 Y45 L46 F54 F153 F154 F259I32-F41 HydrophobicContact CD1-CD2 4.35Å; L36-F41 HydrophobicContact CD2-CB 3.74Å; L36-F41 HydrophobicContact CD2-CD2 4.06Å; L36-F41 HydrophobicContact CD2-CG 4.41Å; L36-F41 HydrophobicContact CG-CB 4.31Å; S37-F41 PolarHBondContact O-N 3.26Å; Y38-F41 WeakPolarHBondContact O-CB 3.33Å; Y38-F41 PolarHBondContact O-N 3.35Å; Y38-F41 VanDerWaalsContact O-N 3.15Å; F41-K43 PolarHBondContact O-N 3.04Å; F41-K44 PolarHBondContact O-N 3.35Å; F41-Y45 AromaticContact CD2-CD2 3.36Å; F41-Y45 HydrophobicContact CD2-CD2 3.36Å; F41-Y45 HydrophobicContact CD2-CE2 4.07Å; F41-Y45 HydrophobicContact CD2-CG 4.11Å; F41-Y45 AromaticContact CE2-CD2 3.69Å; F41-Y45 HydrophobicContact CE2-CD2 3.69Å; F41-Y45 AromaticContact CE2-CG 4Å; F41-Y45 HydrophobicContact CE2-CG 4Å; F41-Y45 HydrophobicContact CG-CD2 4.22Å; F41-Y45 PolarHBondContact O-N 2.84Å; F41-L46 HydrophobicContact CD1-CD1 3.9Å; F41-L46 HydrophobicContact CD1-CD2 4.45Å; F41-L46 HydrophobicContact CD1-CG 3.83Å; F41-L46 HydrophobicContact CE1-CD1 3.78Å; F41-L46 HydrophobicContact CE1-CD2 3.57Å; F41-L46 HydrophobicContact CE1-CG 3.43Å; F41-L46 VanDerWaalsContact CE1-CG 3.43Å; F41-L46 HydrophobicContact CZ-CD2 4.09Å; F41-L46 HydrophobicContact CZ-CG 4.23Å; F41-L46 PolarHBondContact O-N 3.44Å; F41-F54 AromaticContact CD2-CZ 3.86Å; F41-F54 HydrophobicContact CD2-CZ 3.86Å; F41-F54 AromaticContact CE2-CE2 3.97Å; F41-F54 HydrophobicContact CE2-CE2 3.97Å; F41-F54 AromaticContact CE2-CZ 3.45Å; F41-F54 HydrophobicContact CE2-CZ 3.45Å; F41-F54 VanDerWaalsContact CE2-CZ 3.45Å; F41-F54 HydrophobicContact CZ-CE2 4.48Å; F41-F54 HydrophobicContact CZ-CZ 4.07Å; F41-F153 HydrophobicContact CB-CD1 3.58Å; F41-F153 HydrophobicContact CB-CE1 4.02Å; F41-F153 HydrophobicContact CD1-CB 3.66Å; F41-F153 AromaticContact CD1-CD1 3.83Å; F41-F153 HydrophobicContact CD1-CD1 3.83Å; F41-F153 HydrophobicContact CD1-CG 4.15Å; F41-F153 HydrophobicContact CD2-CD1 4.23Å; F41-F153 HydrophobicContact CE1-CB 3.65Å; F41-F153 WeakPolarHBondContact CE1-O 3.15Å; F41-F153 HydrophobicContact CG-CB 4.12Å; F41-F153 AromaticContact CG-CD1 3.6Å; F41-F153 HydrophobicContact CG-CD1 3.6Å; F41-F153 HydrophobicContact CG-CE1 4.43Å; F41-F153 HydrophobicContact CG-CG 4.14Å; F41-F153 HydrophobicContact CZ-CB 4.15Å; F41-F154 HydrophobicContact CE1-CD1 4.49Å; F41-F154 HydrophobicContact CE1-CE1 4.36Å; F41-F154 HydrophobicContact CZ-CD1 4.43Å; F41-F154 AromaticContact CZ-CE1 3.89Å; F41-F154 HydrophobicContact CZ-CE1 3.89Å; F41-F259 HydrophobicContact CZ-CD1 4.35Å; F41-F259 HydrophobicContact CZ-CG 4.37Å
42F95.4Very high92.6Very high1 Ų145.7 Ų45.70%0.00422%0.221CC..Iπ-helixtrans-55.7-51.6177.1-177.6-83.9000112M1 Y38 L46 L47 C285 F378M1-F42 HydrophobicContact CE-CD1 4.11Å; M1-F42 HydrophobicContact CE-CD2 3.85Å; M1-F42 HydrophobicContact CE-CE1 3.75Å; M1-F42 HydrophobicContact CE-CE2 3.44Å; M1-F42 VanDerWaalsContact CE-CE2 3.44Å; M1-F42 HydrophobicContact CE-CG 4.17Å; M1-F42 HydrophobicContact CE-CZ 3.4Å; Y38-F42 HydrophobicContact CD1-CB 4.46Å; Y38-F42 HydrophobicContact CE1-CB 4.08Å; Y38-F42 HydrophobicContact CE1-CD2 4.04Å; Y38-F42 HydrophobicContact CE1-CG 4.4Å; Y38-F42 WeakPolarHBondContact O-CB 3.5Å; Y38-F42 PolarHBondContact O-N 3.45Å; F42-L46 HydrophobicContact CB-CD1 4.44Å; F42-L46 HydrophobicContact CD2-CB 4.41Å; F42-L46 HydrophobicContact CD2-CD1 3.94Å; F42-L46 PolarHBondContact O-N 3.11Å; F42-L47 HydrophobicContact CE1-CB 4.26Å; F42-L47 HydrophobicContact CE1-CD1 4.48Å; F42-L47 HydrophobicContact CE1-CD2 4.39Å; F42-L47 WeakPolarHBondContact O-CB 3.25Å; F42-L47 PolarHBondContact O-N 3.34Å; F42-C285 WeakPolarHBondContact CE2-SG 3.35Å; F42-C285 WeakPolarHBondContact CZ-SG 3.47Å; F42-F378 HydrophobicContact CE2-CD1 4.3Å; F42-F378 AromaticContact CE2-CE1 3.92Å; F42-F378 HydrophobicContact CE2-CE1 3.92Å; F42-F378 HydrophobicContact CE2-CZ 4.43Å; F42-F378 HydrophobicContact CZ-CD1 4.07Å; F42-F378 AromaticContact CZ-CE1 3.64Å; F42-F378 HydrophobicContact CZ-CE1 3.64Å; F42-F378 HydrophobicContact CZ-CE2 4.23Å; F42-F378 AromaticContact CZ-CZ 3.73Å; F42-F378 HydrophobicContact CZ-CZ 3.73Å
43K93.1Very high92.7Very high70 Ų7045.3 Ų45.330%0.30422%0.219SC..Iπ-helixtrans-68.1-34.7-178.8-72.2-169.6-70-158.20113.4E4 S5 S39 K40 F41 P48E4-K43 IonicContact OE1-NZ 3.81Å; E4-K43 PolarHBondContact OE1-NZ 3.48Å; E4-K43 IonicContact OE2-NZ 2.68Å; S5-K43 WeakPolarHBondContact OG-CD 3.39Å; S5-K43 WeakPolarHBondContact OG-CE 3.46Å; S5-K43 PolarHBondContact OG-NZ 3.48Å; S39-K43 WeakPolarHBondContact O-CG 3.34Å; S39-K43 PolarHBondContact O-N 2.93Å; K40-K43 PolarHBondContact O-N 3.37Å; F41-K43 PolarHBondContact O-N 3.04Å; K43-P48 WeakPolarHBondContact O-CD 3.37Å
44K92.9Very high93.2Very high93 Ų9339.7 Ų39.740%0.40419%0.193SC..Iπ-helixtrans-91.8-28.2-172-169.5175.7176.1-154.70114D30 K40 F41 P48D30-K44 IonicContact OD1-NZ 3.13Å; D30-K44 PolarHBondContact OD1-NZ 3.24Å; D30-K44 VanDerWaalsContact OD1-NZ 3.09Å; D30-K44 WeakPolarHBondContact OD2-CE 3.38Å; D30-K44 IonicContact OD2-NZ 3.18Å; D30-K44 PolarHBondContact OD2-NZ 2.93Å; K40-K44 VanDerWaalsContact O-CB 3.24Å; K40-K44 WeakPolarHBondContact O-CB 3.26Å; K40-K44 PolarHBondContact O-N 2.94Å; F41-K44 PolarHBondContact O-N 3.35Å; K44-P48 WeakPolarHBondContact O-CG 3.5Å
45Y94.8Very high94Very high8 Ų832 Ų323%0.03116%0.16CC..Iπ-helixtrans-127.7-51.3-171.6-53.1-73.6000113.6D30 I32 L36 F41 N49 H50 C52D30-Y45 HydrophobicContact CB-CE1 3.8Å; D30-Y45 VanDerWaalsContact CB-OH 3.31Å; D30-Y45 WeakPolarHBondContact CB-OH 3.43Å; D30-Y45 WeakPolarHBondContact OD2-CE1 3.41Å; D30-Y45 PolarHBondContact OD2-OH 3.34Å; I32-Y45 HydrophobicContact CD1-CD2 4.46Å; I32-Y45 HydrophobicContact CD1-CE2 3.8Å; L36-Y45 HydrophobicContact CD2-CD2 4.48Å; L36-Y45 HydrophobicContact CD2-CE2 3.91Å; F41-Y45 AromaticContact CD2-CD2 3.36Å; F41-Y45 HydrophobicContact CD2-CD2 3.36Å; F41-Y45 HydrophobicContact CD2-CE2 4.07Å; F41-Y45 HydrophobicContact CD2-CG 4.11Å; F41-Y45 AromaticContact CE2-CD2 3.69Å; F41-Y45 HydrophobicContact CE2-CD2 3.69Å; F41-Y45 AromaticContact CE2-CG 4Å; F41-Y45 HydrophobicContact CE2-CG 4Å; F41-Y45 HydrophobicContact CG-CD2 4.22Å; F41-Y45 PolarHBondContact O-N 2.84Å; Y45-N49 WeakPolarHBondContact O-CA 2.99Å; Y45-N49 PolarHBondContact O-N 3.34Å; Y45-H50 HydrophobicContact CD1-CB 4.37Å; Y45-H50 PolarHBondContact O-N 3.3Å; Y45-C52 HydrophobicContact CD1-CB 3.68Å; Y45-C52 HydrophobicContact CE1-CB 3.53Å; Y45-C52 HydrophobicContact CG-CB 4.32Å
46L95.3Very high94.9Very high0 Ų031.8 Ų31.80%015%0.148CC..Iπ-helixtrans-65.3-57.9-178.9-64.1178.9000111.4F41 F42 N49 Y193 F259F41-L46 HydrophobicContact CD1-CD1 3.9Å; F41-L46 HydrophobicContact CD1-CD2 4.45Å; F41-L46 HydrophobicContact CD1-CG 3.83Å; F41-L46 HydrophobicContact CE1-CD1 3.78Å; F41-L46 HydrophobicContact CE1-CD2 3.57Å; F41-L46 HydrophobicContact CE1-CG 3.43Å; F41-L46 VanDerWaalsContact CE1-CG 3.43Å; F41-L46 HydrophobicContact CZ-CD2 4.09Å; F41-L46 HydrophobicContact CZ-CG 4.23Å; F41-L46 PolarHBondContact O-N 3.44Å; F42-L46 HydrophobicContact CB-CD1 4.44Å; F42-L46 HydrophobicContact CD2-CB 4.41Å; F42-L46 HydrophobicContact CD2-CD1 3.94Å; F42-L46 PolarHBondContact O-N 3.11Å; L46-N49 PolarHBondContact O-N 3.17Å; L46-Y193 HydrophobicContact CD2-CD2 4.12Å; L46-Y193 HydrophobicContact CD2-CE2 3.86Å; L46-Y193 PolarHBondContact O-OH 2.89Å; L46-F259 HydrophobicContact CD2-CE2 4.09Å; L46-F259 HydrophobicContact CD2-CZ 3.79Å
47L92.7Very high95.1Very high34 Ų3435.2 Ų35.218%0.17816%0.161CC..THydrogen-bonded Turntrans-63.1-45.1-175.9-169.567.8000113.9C9 L12 I15 F42 N49C9-L47 HydrophobicContact CB-CD2 4.32Å; L12-L47 HydrophobicContact CD1-CD1 4.38Å; L12-L47 HydrophobicContact CD1-CD2 4.21Å; I15-L47 HydrophobicContact CD1-CD1 3.97Å; I15-L47 HydrophobicContact CG1-CD1 4.22Å; I15-L47 HydrophobicContact CG2-CD1 3.9Å; I15-L47 HydrophobicContact CG2-CG 4.43Å; F42-L47 HydrophobicContact CE1-CB 4.26Å; F42-L47 HydrophobicContact CE1-CD1 4.48Å; F42-L47 HydrophobicContact CE1-CD2 4.39Å; F42-L47 WeakPolarHBondContact O-CB 3.25Å; F42-L47 PolarHBondContact O-N 3.34Å; L47-N49 VanDerWaalsContact C-N 3.29Å; L47-N49 PolarHBondContact O-N 3.5Å
48P92Very high95.3Very high18 Ų1834.6 Ų34.612%0.11715%0.151CC..THydrogen-bonded Turntrans-81.8-4.2178.133.2-36.5000114K43 K44 H50K43-P48 WeakPolarHBondContact O-CD 3.37Å; K44-P48 WeakPolarHBondContact O-CG 3.5Å; P48-H50 PolarHBondContact O-CD2 2.96Å; P48-H50 VanDerWaalsContact O-CD2 3.32Å
49N94.8Very high95.4Very high4 Ų433.6 Ų33.62%0.02115%0.148CC..THydrogen-bonded Turntrans63.452.2178.9-16749.1000113.2Y20 Y45 L46 L47 Y193 P261 S262 W264Y20-N49 WeakPolarHBondContact OH-CB 3.36Å; Y20-N49 PolarHBondContact OH-ND2 3.04Å; Y45-N49 WeakPolarHBondContact O-CA 2.99Å; Y45-N49 PolarHBondContact O-N 3.34Å; L46-N49 PolarHBondContact O-N 3.17Å; L47-N49 VanDerWaalsContact C-N 3.29Å; L47-N49 PolarHBondContact O-N 3.5Å; N49-Y193 VanDerWaalsContact OD1-CE1 3.3Å; N49-Y193 WeakPolarHBondContact OD1-CE1 3.22Å; N49-P261 HydrophobicContact CB-CB 4.4Å; N49-P261 WeakPolarHBondContact O-CB 3.4Å; N49-P261 WeakPolarHBondContact OD1-CB 3.42Å; N49-S262 PolarHBondContact ND2-O 3.49Å; N49-S262 WeakPolarHBondContact OD1-CB 3.4Å; N49-S262 PolarHBondContact OD1-N 3.2Å; N49-W264 PolarHBondContact O-NE1 3.22Å; N49-W264 VanDerWaalsContact O-NE1 3.16Å
50H94.9Very high95.4Very high21 Ų2137.9 Ų37.910%0.09717%0.167CC..  trans-114.4137.4-174.8-68.6170.4000113.3Q22 F23 Y45 P48 F259Q22-H50 PolarHBondContact NE2-CE1 2.93Å; Q22-H50 VanDerWaalsContact NE2-CE1 3.26Å; Q22-H50 PolarHBondContact NE2-NE2 3.11Å; F23-H50 AromaticContact CE2-CD2 3.53Å; F23-H50 AromaticContact CE2-CG 3.99Å; F23-H50 AromaticContact CE2-NE2 3.85Å; F23-H50 HydrophobicContact CZ-CB 4.04Å; F23-H50 AromaticContact CZ-CD2 3.89Å; F23-H50 AromaticContact CZ-CG 3.86Å; Y45-H50 HydrophobicContact CD1-CB 4.37Å; Y45-H50 PolarHBondContact O-N 3.3Å; P48-H50 PolarHBondContact O-CD2 2.96Å; P48-H50 VanDerWaalsContact O-CD2 3.32Å; H50-F259 VanDerWaalsContact O-CD1 3.29Å; H50-F259 WeakPolarHBondContact O-CD1 3.36Å; H50-F259 WeakPolarHBondContact O-CE1 3.35Å
51P96.3Very high95.4Very high2 Ų237.7 Ų37.71%0.01317%0.172CC..  trans-72.1153.3-178.430.7-35.6000111.1F23 V29 L207 L248 F259 P261 W264F23-P51 HydrophobicContact CD1-CG 4.44Å; F23-P51 HydrophobicContact CE1-CG 3.97Å; F23-P51 HydrophobicContact CZ-CG 4.28Å; V29-P51 HydrophobicContact CG2-CB 4.44Å; P51-L207 HydrophobicContact CB-CD2 4.24Å; P51-L248 HydrophobicContact CG-CD2 3.94Å; P51-F259 WeakPolarHBondContact CA-O 3.47Å; P51-P261 HydrophobicContact CB-CG 3.97Å; P51-W264 VanDerWaalsContact CD-CZ2 3.47Å; P51-W264 HydrophobicContact CG-CH2 3.72Å; P51-W264 HydrophobicContact CG-CZ2 4.11Å; P51-W264 HydrophobicContact CG-CZ3 3.97Å
52C97.1Very high95.5Very high0 Ų038.6 Ų38.60%018%0.175CC..EExtended strand (participates in β ladder)trans-154.8163.8169.363.70000111.9D30 I32 Y45 F259D30-C52 HydrophobicContact CB-CB 4.26Å; D30-C52 WeakPolarHBondContact O-CA 3.44Å; I32-C52 HydrophobicContact CD1-CB 4.17Å; Y45-C52 HydrophobicContact CD1-CB 3.68Å; Y45-C52 HydrophobicContact CE1-CB 3.53Å; Y45-C52 HydrophobicContact CG-CB 4.32Å; C52-F259 PolarHBondContact N-O 2.58Å; C52-F259 PolarHBondContact O-N 2.83Å
53M97.8Very high95.6Very high3 Ų342.1 Ų42.12%0.01519%0.191CC..EExtended strand (participates in β ladder)trans-110.6144.1175.1-67-63.4-69.900110V29 D30 Y31 I32 I250 Q252 E256 I257 I258V29-M53 HydrophobicContact CG1-CG 3.89Å; V29-M53 HydrophobicContact CG2-CG 4.16Å; D30-M53 PolarHBondContact O-N 3.07Å; Y31-M53 CarbonylContact C-O 3.58Å; Y31-M53 HydrophobicContact CD2-CB 3.48Å; Y31-M53 VanDerWaalsContact CD2-CB 3.48Å; Y31-M53 HydrophobicContact CD2-CG 4.33Å; Y31-M53 HydrophobicContact CE2-CB 3.98Å; Y31-M53 HydrophobicContact CG-CB 4.32Å; I32-M53 WeakPolarHBondContact CB-O 3.5Å; I32-M53 PolarHBondContact N-O 3.22Å; M53-I250 HydrophobicContact CE-CG2 4.04Å; M53-I250 HydrophobicContact CG-CG2 4.24Å; M53-I250 HydrophobicContact SD-CG2 3.75Å; M53-Q252 HydrophobicContact CE-CB 4.01Å; M53-Q252 HydrophobicContact CE-CG 3.97Å; M53-E256 HydrophobicContact CE-CB 4.18Å; M53-I257 CarbonylContact C-O 3.52Å; M53-I257 WeakPolarHBondContact CA-O 3.36Å; M53-I258 HydrophobicContact CE-CB 4.38Å; M53-I258 HydrophobicContact SD-CB 3.52Å; M53-I258 VanDerWaalsContact SD-CB 3.52Å; M53-I258 HydrophobicContact SD-CD1 4.01Å; M53-I258 HydrophobicContact SD-CG1 3.65Å
54F98.2Very high95.8Very high1 Ų138.8 Ų38.80%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-113.9136.9170.6-65-106.7000109.3I32 F41 F58 F153 F154 E256 I257 F259I32-F54 HydrophobicContact CB-CD1 4.1Å; I32-F54 HydrophobicContact CB-CE1 4.45Å; I32-F54 HydrophobicContact CB-CG 4.43Å; I32-F54 HydrophobicContact CD1-CD1 4.18Å; I32-F54 HydrophobicContact CD1-CD2 4.44Å; I32-F54 HydrophobicContact CD1-CE1 3.77Å; I32-F54 HydrophobicContact CD1-CE2 4.05Å; I32-F54 HydrophobicContact CD1-CZ 3.72Å; I32-F54 HydrophobicContact CG2-CD1 4.08Å; I32-F54 HydrophobicContact CG2-CE1 4.25Å; F41-F54 AromaticContact CD2-CZ 3.86Å; F41-F54 HydrophobicContact CD2-CZ 3.86Å; F41-F54 AromaticContact CE2-CE2 3.97Å; F41-F54 HydrophobicContact CE2-CE2 3.97Å; F41-F54 AromaticContact CE2-CZ 3.45Å; F41-F54 HydrophobicContact CE2-CZ 3.45Å; F41-F54 VanDerWaalsContact CE2-CZ 3.45Å; F41-F54 HydrophobicContact CZ-CE2 4.48Å; F41-F54 HydrophobicContact CZ-CZ 4.07Å; F54-F58 HydrophobicContact CB-CD2 3.77Å; F54-F58 HydrophobicContact CB-CE2 4.27Å; F54-F58 HydrophobicContact CB-CG 4.33Å; F54-F58 HydrophobicContact CD1-CD1 4.35Å; F54-F58 AromaticContact CD1-CD2 3.86Å; F54-F58 HydrophobicContact CD1-CD2 3.86Å; F54-F58 HydrophobicContact CD1-CE1 4.33Å; F54-F58 AromaticContact CD1-CE2 3.81Å; F54-F58 HydrophobicContact CD1-CE2 3.81Å; F54-F58 HydrophobicContact CD1-CG 4.13Å; F54-F58 HydrophobicContact CD1-CZ 4.05Å; F54-F58 HydrophobicContact CG-CD2 4.33Å; F54-F153 HydrophobicContact CD1-CD2 4.38Å; F54-F153 HydrophobicContact CD1-CE2 4.48Å; F54-F153 AromaticContact CE1-CD2 3.49Å; F54-F153 HydrophobicContact CE1-CD2 3.49Å; F54-F153 VanDerWaalsContact CE1-CD2 3.49Å; F54-F153 AromaticContact CE1-CE2 3.8Å; F54-F153 HydrophobicContact CE1-CE2 3.8Å; F54-F153 AromaticContact CE1-CG 3.99Å; F54-F153 HydrophobicContact CE1-CG 3.99Å; F54-F153 HydrophobicContact CE1-CZ 4.5Å; F54-F153 HydrophobicContact CZ-CB 4.29Å; F54-F153 HydrophobicContact CZ-CD2 4.07Å; F54-F153 HydrophobicContact CZ-CG 4.16Å; F54-F154 HydrophobicContact CD2-CZ 4.09Å; F54-F154 HydrophobicContact CE2-CE1 4.06Å; F54-F154 AromaticContact CE2-CZ 3.52Å; F54-F154 HydrophobicContact CE2-CZ 3.52Å; F54-F154 HydrophobicContact CZ-CE1 4.2Å; F54-F154 AromaticContact CZ-CZ 3.79Å; F54-F154 HydrophobicContact CZ-CZ 3.79Å; F54-E256 WeakPolarHBondContact O-CA 3.5Å; F54-E256 WeakPolarHBondContact O-CB 3.34Å; F54-I257 HydrophobicContact CB-CB 3.99Å; F54-I257 HydrophobicContact CB-CG1 4.43Å; F54-I257 HydrophobicContact CD2-CB 4.36Å; F54-I257 HydrophobicContact CG-CB 4.47Å; F54-I257 PolarHBondContact N-O 2.96Å; F54-I257 PolarHBondContact O-N 3.43Å; F54-F259 HydrophobicContact CE2-CB 4.29Å
55S97.3Very high96Very high6 Ų637 Ų374%0.04217%0.167CC..  trans-64160.917774.20000112.7Y31 I32 K57 F58Y31-S55 WeakPolarHBondContact OH-CA 3.45Å; I32-S55 PolarHBondContact O-N 3.47Å; I32-S55 PolarHBondContact O-OG 3.45Å; S55-K57 PolarHBondContact O-N 3.04Å; S55-F58 WeakPolarHBondContact O-CD2 3.07Å; S55-F58 PolarHBondContact O-N 2.95Å
56R96.4Very high96Very high155 Ų15542.8 Ų42.859%0.58519%0.192SC*.G310 helixtrans-55.4-13.9176.761.9176-106.3-156-3.4116.4F58 T59 E60 G255R56-F58 VanDerWaalsContact C-N 3.27Å; R56-F58 PolarHBondContact O-N 2.94Å; R56-T59 PolarHBondContact O-N 2.63Å; R56-T59 PolarHBondContact O-OG1 3.24Å; R56-E60 PolarHBondContact O-N 3.24Å; R56-G255 WeakPolarHBondContact CA-O 3.4Å
57K95.3Very high96.1Very high111 Ų11145.4 Ų45.448%0.48320%0.204SC..G310 helixtrans-62-35.7177.3-65.9-178.7-173.4167.60112E33 S55 T59 E60E33-K57 PolarHBondContact O-NZ 3.34Å; S55-K57 PolarHBondContact O-N 3.04Å; K57-T59 PolarHBondContact O-N 2.87Å; K57-E60 VanDerWaalsContact CA-OE1 3.25Å; K57-E60 WeakPolarHBondContact CA-OE1 3.26Å; K57-E60 VanDerWaalsContact CB-OE1 3.31Å; K57-E60 WeakPolarHBondContact CB-OE1 3.14Å; K57-E60 WeakPolarHBondContact O-CG 3.25Å; K57-E60 PolarHBondContact O-N 3.06Å
58F95.8Very high96.4Very high41 Ų4143.8 Ų43.818%0.1820%0.196CC..G310 helixtrans-67.6-12.1-178.1-69.4-83.4000114.3I32 F54 S55 R56 W62 F153 I257I32-F58 HydrophobicContact CG2-CE2 4.18Å; I32-F58 HydrophobicContact CG2-CZ 4.16Å; F54-F58 HydrophobicContact CB-CD2 3.77Å; F54-F58 HydrophobicContact CB-CE2 4.27Å; F54-F58 HydrophobicContact CB-CG 4.33Å; F54-F58 HydrophobicContact CD1-CD1 4.35Å; F54-F58 AromaticContact CD1-CD2 3.86Å; F54-F58 HydrophobicContact CD1-CD2 3.86Å; F54-F58 HydrophobicContact CD1-CE1 4.33Å; F54-F58 AromaticContact CD1-CE2 3.81Å; F54-F58 HydrophobicContact CD1-CE2 3.81Å; F54-F58 HydrophobicContact CD1-CG 4.13Å; F54-F58 HydrophobicContact CD1-CZ 4.05Å; F54-F58 HydrophobicContact CG-CD2 4.33Å; S55-F58 WeakPolarHBondContact O-CD2 3.07Å; S55-F58 PolarHBondContact O-N 2.95Å; R56-F58 VanDerWaalsContact C-N 3.27Å; R56-F58 PolarHBondContact O-N 2.94Å; F58-W62 PolarHBondContact O-NE1 3Å; F58-F153 HydrophobicContact CD1-CE2 4.08Å; F58-F153 AromaticContact CE1-CE2 3.57Å; F58-F153 HydrophobicContact CE1-CE2 3.57Å; F58-F153 HydrophobicContact CE1-CZ 4.24Å; F58-F153 HydrophobicContact CZ-CE2 4.32Å; F58-I257 HydrophobicContact CB-CD1 3.93Å
59T96.9Very high96.7Very high0 Ų044 Ų440%020%0.197CC..G310 helixtrans-120.41179.967.90000113.2R56 K57 D61 W62 R65 A197 G255 I257R56-T59 PolarHBondContact O-N 2.63Å; R56-T59 PolarHBondContact O-OG1 3.24Å; K57-T59 PolarHBondContact O-N 2.87Å; T59-D61 PolarHBondContact O-N 3.42Å; T59-D61 VanDerWaalsContact O-N 3.15Å; T59-W62 HydrophobicContact CG2-CD2 3.99Å; T59-W62 HydrophobicContact CG2-CE3 3.86Å; T59-W62 HydrophobicContact CG2-CH2 3.7Å; T59-W62 HydrophobicContact CG2-CZ2 3.79Å; T59-W62 HydrophobicContact CG2-CZ3 3.73Å; T59-W62 WeakPolarHBondContact O-CB 3.38Å; T59-W62 PolarHBondContact O-N 2.79Å; T59-R65 WeakPolarHBondContact O-CG 3.33Å; T59-R65 PolarHBondContact OG1-NH1 3.22Å; T59-A197 HydrophobicContact CG2-CB 4.17Å; T59-G255 WeakPolarHBondContact CG2-O 3.39Å; T59-G255 PolarHBondContact OG1-O 3.04Å; T59-I257 HydrophobicContact CG2-CD1 3.67Å; T59-I257 HydrophobicContact CG2-CG1 3.65Å
60E94.8Very high96.8Very high100 Ų10046.1 Ų46.147%0.46721%0.21SC..THydrogen-bonded Turntrans-62.3-30-167.465.5-161.713700113.6R56 K57R56-E60 PolarHBondContact O-N 3.24Å; K57-E60 VanDerWaalsContact CA-OE1 3.25Å; K57-E60 WeakPolarHBondContact CA-OE1 3.26Å; K57-E60 VanDerWaalsContact CB-OE1 3.31Å; K57-E60 WeakPolarHBondContact CB-OE1 3.14Å; K57-E60 WeakPolarHBondContact O-CG 3.25Å; K57-E60 PolarHBondContact O-N 3.06Å
61D95.6Very high96.8Very high124 Ų12455 Ų5566%0.66325%0.251SS*.THydrogen-bonded Turntrans-88-6.2178.5-81.1-45.5000115.8T59 K63 K66T59-D61 PolarHBondContact O-N 3.42Å; T59-D61 VanDerWaalsContact O-N 3.15Å; D61-K63 PolarHBondContact O-N 2.8Å; D61-K66 PolarHBondContact O-NZ 3.16Å; D61-K66 VanDerWaalsContact O-NZ 3.15Å; D61-K66 IonicContact OD1-NZ 3.04Å; D61-K66 PolarHBondContact OD1-NZ 2.94Å
62W97.9Very high96.8Very high18 Ų1863 Ų637%0.06829%0.289CS..  trans-64.4137.4-174.7-66.93.5000112.2F58 T59 C64 R65 K66 Y148 T149 P151 W195 A197 I199 I257 I277F58-W62 PolarHBondContact O-NE1 3Å; T59-W62 HydrophobicContact CG2-CD2 3.99Å; T59-W62 HydrophobicContact CG2-CE3 3.86Å; T59-W62 HydrophobicContact CG2-CH2 3.7Å; T59-W62 HydrophobicContact CG2-CZ2 3.79Å; T59-W62 HydrophobicContact CG2-CZ3 3.73Å; T59-W62 WeakPolarHBondContact O-CB 3.38Å; T59-W62 PolarHBondContact O-N 2.79Å; W62-C64 VanDerWaalsContact C-N 3.29Å; W62-C64 PolarHBondContact O-N 3.1Å; W62-R65 HydrophobicContact CB-CG 4.18Å; W62-R65 WeakPolarHBondContact O-CB 3.32Å; W62-R65 PolarHBondContact O-N 2.93Å; W62-R65 VanDerWaalsContact O-N 3.11Å; W62-K66 PolarHBondContact O-N 2.91Å; W62-Y148 VanDerWaalsContact CD2-CB 3.46Å; W62-Y148 VanDerWaalsContact CE3-CB 3.47Å; W62-Y148 HydrophobicContact CE3-CG 4.42Å; W62-Y148 HydrophobicContact CH2-CD2 4.3Å; W62-Y148 HydrophobicContact CZ2-CD2 4.45Å; W62-Y148 HydrophobicContact CZ3-CG 4.36Å; W62-T149 WeakPolarHBondContact CZ2-O 3.17Å; W62-T149 PolarHBondContact NE1-O 3.24Å; W62-P151 HydrophobicContact CZ2-CG 4.15Å; W62-W195 AromaticContact CH2-CH2 3.85Å; W62-W195 HydrophobicContact CH2-CH2 3.85Å; W62-W195 AromaticContact CH2-CZ3 3.81Å; W62-W195 HydrophobicContact CH2-CZ3 3.81Å; W62-W195 HydrophobicContact CZ3-CZ3 4.36Å; W62-A197 HydrophobicContact CH2-CB 3.67Å; W62-A197 HydrophobicContact CZ3-CB 3.41Å; W62-A197 VanDerWaalsContact CZ3-CB 3.41Å; W62-I199 HydrophobicContact CE3-CD1 3.85Å; W62-I199 HydrophobicContact CZ3-CD1 4.01Å; W62-I257 HydrophobicContact CH2-CD1 4.39Å; W62-I277 HydrophobicContact CE3-CD1 4.38Å; W62-I277 HydrophobicContact CZ3-CD1 4.26Å
63K97.5Very high96.8Very high76 Ų7664.6 Ų64.633%0.3331%0.305SS..Hα-helixtrans-61.2-37.8-179.7-179.4-177.9175.7-172.10111.8D61 R65 K66 Q67 H145 V147D61-K63 PolarHBondContact O-N 2.8Å; K63-R65 VanDerWaalsContact C-N 3.35Å; K63-R65 PolarHBondContact O-N 2.5Å; K63-K66 PolarHBondContact O-N 3.19Å; K63-K66 VanDerWaalsContact O-N 3.14Å; K63-Q67 VanDerWaalsContact CE-NE2 3.32Å; K63-Q67 VanDerWaalsContact CG-CD 3.48Å; K63-Q67 HydrophobicContact CG-CG 4.07Å; K63-Q67 WeakPolarHBondContact O-CB 3.26Å; K63-Q67 WeakPolarHBondContact O-CG 3.46Å; K63-Q67 PolarHBondContact O-N 3.28Å; K63-H145 WeakPolarHBondContact CD-O 3.35Å; K63-H145 PolarHBondContact NZ-O 3.46Å; K63-V147 PolarHBondContact N-O 3.39Å
64C97.4Very high96.8Very high0 Ų068.2 Ų68.20%032%0.321CS..Hα-helixtrans-59.7-40.3174.454.20000112.7W62 K66 Q67 W68 V147 I199 I277W62-C64 VanDerWaalsContact C-N 3.29Å; W62-C64 PolarHBondContact O-N 3.1Å; C64-K66 PolarHBondContact O-N 2.67Å; C64-Q67 PolarHBondContact O-N 3.07Å; C64-W68 HydrophobicContact CB-CD2 3.59Å; C64-W68 HydrophobicContact CB-CE3 3.36Å; C64-W68 HydrophobicContact CB-CG 4.18Å; C64-W68 HydrophobicContact CB-CH2 4.35Å; C64-W68 HydrophobicContact CB-CZ3 3.77Å; C64-W68 WeakPolarHBondContact O-CA 3.42Å; C64-W68 VanDerWaalsContact O-CB 3.26Å; C64-W68 WeakPolarHBondContact O-CB 3.21Å; C64-W68 PolarHBondContact O-N 3.49Å; C64-V147 HydrophobicContact CB-CB 4.06Å; C64-V147 HydrophobicContact CB-CG2 4.25Å; C64-V147 PolarHBondContact N-O 2.83Å; C64-V147 PolarHBondContact SG-O 2.92Å; C64-I199 HydrophobicContact CB-CG2 4.26Å; C64-I277 HydrophobicContact CB-CD1 4.35Å
65R96.9Very high96.8Very high56 Ų5668.6 Ų68.621%0.21132%0.323CS..Hα-helixtrans-61.8-34.4175.6-69.2-69.2-57.8-78.33.8112.1T59 W62 K63 I199 G255T59-R65 WeakPolarHBondContact O-CG 3.33Å; T59-R65 PolarHBondContact OG1-NH1 3.22Å; W62-R65 HydrophobicContact CB-CG 4.18Å; W62-R65 WeakPolarHBondContact O-CB 3.32Å; W62-R65 PolarHBondContact O-N 2.93Å; W62-R65 VanDerWaalsContact O-N 3.11Å; K63-R65 VanDerWaalsContact C-N 3.35Å; K63-R65 PolarHBondContact O-N 2.5Å; R65-I199 VanDerWaalsContact CD-O 3.31Å; R65-I199 WeakPolarHBondContact CD-O 3.4Å; R65-I199 HydrophobicContact CG-CG2 4.43Å; R65-I199 PolarHBondContact NE-O 3.05Å; R65-G255 VanDerWaalsContact CZ-CA 3.49Å
66K95.9Very high96.8Very high128 Ų12870.2 Ų70.256%0.55733%0.332SS*.Hα-helixtrans-85.3-25.1-178.2-63.6170.8-178.4165.90113.3D61 W62 K63 C64D61-K66 PolarHBondContact O-NZ 3.16Å; D61-K66 VanDerWaalsContact O-NZ 3.15Å; D61-K66 IonicContact OD1-NZ 3.04Å; D61-K66 PolarHBondContact OD1-NZ 2.94Å; W62-K66 PolarHBondContact O-N 2.91Å; K63-K66 PolarHBondContact O-N 3.19Å; K63-K66 VanDerWaalsContact O-N 3.14Å; C64-K66 PolarHBondContact O-N 2.67Å
67Q97Very high96.9Very high55 Ų5564.2 Ų64.226%0.25731%0.31SS..Hα-helixtrans-113-36.3-171.4-64.5-171.2-0.900114.2K63 C64 V69 N76 K79 Q83K63-Q67 VanDerWaalsContact CE-NE2 3.32Å; K63-Q67 VanDerWaalsContact CG-CD 3.48Å; K63-Q67 HydrophobicContact CG-CG 4.07Å; K63-Q67 WeakPolarHBondContact O-CB 3.26Å; K63-Q67 WeakPolarHBondContact O-CG 3.46Å; K63-Q67 PolarHBondContact O-N 3.28Å; C64-Q67 PolarHBondContact O-N 3.07Å; Q67-V69 VanDerWaalsContact C-N 3.34Å; Q67-N76 PolarHBondContact O-ND2 2.97Å; Q67-K79 HydrophobicContact CB-CG 4.3Å; Q67-K79 WeakPolarHBondContact O-CB 3.04Å; Q67-K79 VanDerWaalsContact O-CG 3.28Å; Q67-K79 WeakPolarHBondContact O-CG 3.33Å; Q67-Q83 VanDerWaalsContact OE1-NE2 3.1Å
68W98.1Very high97Very high0 Ų065.1 Ų65.10%032%0.316CS..SBendtrans-90.1-3.1-175.8-59.9-13.2000113.3C64 N76 L80 F84 M138 V147 V174 I275 I277C64-W68 HydrophobicContact CB-CD2 3.59Å; C64-W68 HydrophobicContact CB-CE3 3.36Å; C64-W68 HydrophobicContact CB-CG 4.18Å; C64-W68 HydrophobicContact CB-CH2 4.35Å; C64-W68 HydrophobicContact CB-CZ3 3.77Å; C64-W68 WeakPolarHBondContact O-CA 3.42Å; C64-W68 VanDerWaalsContact O-CB 3.26Å; C64-W68 WeakPolarHBondContact O-CB 3.21Å; C64-W68 PolarHBondContact O-N 3.49Å; W68-N76 PolarHBondContact O-N 3.49Å; W68-L80 HydrophobicContact CB-CD2 4.18Å; W68-L80 HydrophobicContact CD2-CD2 4.02Å; W68-L80 HydrophobicContact CG-CD2 3.72Å; W68-F84 HydrophobicContact CZ2-CE2 4.02Å; W68-F84 HydrophobicContact CZ2-CZ 4.05Å; W68-M138 HydrophobicContact CH2-CE 4.01Å; W68-M138 HydrophobicContact CZ2-CE 4.32Å; W68-V147 HydrophobicContact CH2-CB 4.22Å; W68-V147 HydrophobicContact CH2-CG1 4.29Å; W68-V147 HydrophobicContact CH2-CG2 3.64Å; W68-V147 HydrophobicContact CZ2-CB 4.01Å; W68-V147 HydrophobicContact CZ2-CG1 3.7Å; W68-V147 HydrophobicContact CZ2-CG2 3.93Å; W68-V147 HydrophobicContact CZ3-CG2 4.3Å; W68-V174 HydrophobicContact CH2-CG1 4.42Å; W68-V174 HydrophobicContact CH2-CG2 4.06Å; W68-V174 HydrophobicContact CZ3-CG1 4.3Å; W68-V174 HydrophobicContact CZ3-CG2 4.42Å; W68-I275 HydrophobicContact CB-CD1 4.2Å; W68-I275 HydrophobicContact CE3-CG2 3.86Å; W68-I275 HydrophobicContact CZ3-CG2 4.15Å; W68-I277 HydrophobicContact CZ3-CD1 4.37Å; W68-I277 HydrophobicContact CZ3-CG1 4.46Å
69V98.1Very high97.1Very high22 Ų2266.3 Ų66.313%0.13332%0.321CS..BIsolated β-bridgetrans-122.2139.2-177.7-1650000108.9Q67 K74 I199 C200Q67-V69 VanDerWaalsContact C-N 3.34Å; V69-K74 CarbonylContact C-O 3.57Å; V69-K74 WeakPolarHBondContact CA-O 3.37Å; V69-I199 HydrophobicContact CG2-CG2 3.7Å; V69-C200 HydrophobicContact CB-CB 4.48Å; V69-C200 HydrophobicContact CG1-CB 3.8Å; V69-C200 HydrophobicContact CG2-CB 3.81Å
70T98Very high97.1Very high50 Ų5066.3 Ų66.331%0.30732%0.321SS..  trans-79.4168.817360.10000110.9E72 G73 K74 N76T70-E72 PolarHBondContact O-N 3.16Å; T70-G73 PolarHBondContact O-N 3.31Å; T70-K74 PolarHBondContact N-O 3.21Å; T70-K74 PolarHBondContact OG1-N 2.66Å; T70-K74 VanDerWaalsContact OG1-N 3.11Å; T70-K74 PolarHBondContact OG1-O 2.89Å; T70-K74 VanDerWaalsContact OG1-O 3.05Å; T70-N76 HydrophobicContact CG2-CB 3.93Å
71E95.3Very high97.3Very high206 Ų20663.2 Ų63.296%0.96331%0.307SS*.THydrogen-bonded Turntrans-59.6-26.1174.4-64.4-177.6176.400112.6G73E71-G73 VanDerWaalsContact C-N 3.25Å; E71-G73 PolarHBondContact O-N 3.35Å
72E95.9Very high97.3Very high171 Ų17163.3 Ų63.380%0.79930%0.304SS*.THydrogen-bonded Turntrans-822.1176.1-61.4178-175.900113.4T70 K74T70-E72 PolarHBondContact O-N 3.16Å; E72-K74 VanDerWaalsContact C-N 3.34Å; E72-K74 PolarHBondContact O-N 2.92Å
73G96.1Very high97.1Very high34 Ų3464.3 Ų64.335%0.35131%0.309SS..SBendtrans78.115.2179.700000114.5T70 E71T70-G73 PolarHBondContact O-N 3.31Å; E71-G73 VanDerWaalsContact C-N 3.25Å; E71-G73 PolarHBondContact O-N 3.35Å
74K97.7Very high97.1Very high78 Ų7860.7 Ų60.734%0.33929%0.294SS..SBendtrans-101.2157.8179.4-59.5-59.1179.6-174.90112.5V69 T70 E72 N76 E272V69-K74 CarbonylContact C-O 3.57Å; V69-K74 WeakPolarHBondContact CA-O 3.37Å; T70-K74 PolarHBondContact N-O 3.21Å; T70-K74 PolarHBondContact OG1-N 2.66Å; T70-K74 VanDerWaalsContact OG1-N 3.11Å; T70-K74 PolarHBondContact OG1-O 2.89Å; T70-K74 VanDerWaalsContact OG1-O 3.05Å; E72-K74 VanDerWaalsContact C-N 3.34Å; E72-K74 PolarHBondContact O-N 2.92Å; K74-N76 PolarHBondContact O-N 2.9Å; K74-E272 IonicContact NZ-OE2 3.03Å; K74-E272 PolarHBondContact NZ-OE2 2.75Å
75P98.4Very high96.9Very high9 Ų964.4 Ų64.46%0.05831%0.314CS..BIsolated β-bridgetrans-49.9126.3173.1-30.637.4000113.1F77 W116 D273 I275P75-F77 VanDerWaalsContact C-N 3.33Å; P75-F77 HydrophobicContact CB-CD1 3.98Å; P75-F77 HydrophobicContact CB-CE1 3.55Å; P75-F77 HydrophobicContact CB-CZ 3.95Å; P75-F77 HydrophobicContact CG-CE1 4.37Å; P75-F77 HydrophobicContact CG-CZ 4.46Å; P75-F77 PolarHBondContact O-N 2.82Å; P75-W116 HydrophobicContact CB-CH2 4.41Å; P75-W116 HydrophobicContact CG-CH2 4Å; P75-W116 HydrophobicContact CG-CZ2 3.9Å; P75-D273 HydrophobicContact CG-CB 3.99Å; P75-I275 HydrophobicContact CB-CD1 3.98Å; P75-I275 HydrophobicContact CG-CD1 4.28Å; P75-I275 HydrophobicContact CG-CG1 4.37Å
76N98.4Very high96.9Very high40 Ų4067 Ų6721%0.21433%0.328CS..  trans-84.277.8175.4-170.1-20.3000110.3Q67 W68 T70 K74 Q78 K79 L80Q67-N76 PolarHBondContact O-ND2 2.97Å; W68-N76 PolarHBondContact O-N 3.49Å; T70-N76 HydrophobicContact CG2-CB 3.93Å; K74-N76 PolarHBondContact O-N 2.9Å; N76-Q78 PolarHBondContact O-N 2.75Å; N76-K79 HydrophobicContact CB-CB 4.17Å; N76-K79 VanDerWaalsContact CG-CB 3.49Å; N76-K79 PolarHBondContact O-N 3.35Å; N76-K79 VanDerWaalsContact O-N 3.15Å; N76-K79 WeakPolarHBondContact OD1-CB 3.36Å; N76-K79 PolarHBondContact OD1-N 2.69Å; N76-L80 WeakPolarHBondContact O-CG 3.19Å; N76-L80 PolarHBondContact O-N 3.16Å
77F98.3Very high97Very high29 Ų2962 Ų6213%0.12731%0.308CS..Hα-helixtrans-57.7-34.3-177.9-64.1-41.9000113.7P75 L81 I113 W116 R117 I120P75-F77 VanDerWaalsContact C-N 3.33Å; P75-F77 HydrophobicContact CB-CD1 3.98Å; P75-F77 HydrophobicContact CB-CE1 3.55Å; P75-F77 HydrophobicContact CB-CZ 3.95Å; P75-F77 HydrophobicContact CG-CE1 4.37Å; P75-F77 HydrophobicContact CG-CZ 4.46Å; P75-F77 PolarHBondContact O-N 2.82Å; F77-L81 WeakPolarHBondContact O-CB 3.49Å; F77-L81 WeakPolarHBondContact O-CD1 3.37Å; F77-L81 VanDerWaalsContact O-CG 3.22Å; F77-L81 WeakPolarHBondContact O-CG 3.2Å; F77-L81 PolarHBondContact O-N 3.34Å; F77-I113 HydrophobicContact CB-CG2 3.84Å; F77-I113 HydrophobicContact CD1-CD1 3.86Å; F77-I113 HydrophobicContact CD1-CG2 3.92Å; F77-I113 HydrophobicContact CE1-CD1 4.18Å; F77-I113 HydrophobicContact CG-CG2 3.96Å; F77-W116 AromaticContact CE1-CD2 3.63Å; F77-W116 HydrophobicContact CE1-CD2 3.63Å; F77-W116 AromaticContact CE1-CE3 3.58Å; F77-W116 HydrophobicContact CE1-CE3 3.58Å; F77-W116 HydrophobicContact CE1-CG 4.11Å; F77-W116 HydrophobicContact CE1-CH2 4.31Å; F77-W116 HydrophobicContact CE1-CZ2 4.35Å; F77-W116 AromaticContact CE1-CZ3 3.93Å; F77-W116 HydrophobicContact CE1-CZ3 3.93Å; F77-W116 HydrophobicContact CZ-CB 4.46Å; F77-W116 AromaticContact CZ-CD2 3.69Å; F77-W116 HydrophobicContact CZ-CD2 3.69Å; F77-W116 AromaticContact CZ-CE2 3.83Å; F77-W116 HydrophobicContact CZ-CE3 4.15Å; F77-W116 AromaticContact CZ-CG 3.82Å; F77-W116 HydrophobicContact CZ-CG 3.82Å; F77-W116 HydrophobicContact CZ-CZ2 4.41Å; F77-W116 AromaticContact CZ-NE1 4Å; F77-R117 VanDerWaalsContact CB-NH2 3.27Å; F77-R117 HydrophobicContact CD2-CG 3.72Å; F77-R117 HydrophobicContact CE2-CG 3.89Å; F77-R117 HydrophobicContact CG-CG 4.43Å; F77-I120 HydrophobicContact CE2-CD1 4.04Å; F77-I120 HydrophobicContact CZ-CD1 4.09Å
78Q97.8Very high97Very high130 Ų13063.4 Ų63.461%0.60732%0.322SS*.Hα-helixtrans-64.8-45.9177.9-177.5179.51.500111N76 Q82N76-Q78 PolarHBondContact O-N 2.75Å; Q78-Q82 WeakPolarHBondContact O-CG 3.45Å; Q78-Q82 PolarHBondContact O-N 3.19Å; Q78-Q82 VanDerWaalsContact O-N 3.12Å
79K97.1Very high97.1Very high67 Ų6763.4 Ų63.429%0.29132%0.322SS..Hα-helixtrans-68.6-39.1179.9-170.859.9174.21790112.3Q67 N76 Q82 Q83Q67-K79 HydrophobicContact CB-CG 4.3Å; Q67-K79 WeakPolarHBondContact O-CB 3.04Å; Q67-K79 VanDerWaalsContact O-CG 3.28Å; Q67-K79 WeakPolarHBondContact O-CG 3.33Å; N76-K79 HydrophobicContact CB-CB 4.17Å; N76-K79 VanDerWaalsContact CG-CB 3.49Å; N76-K79 PolarHBondContact O-N 3.35Å; N76-K79 VanDerWaalsContact O-N 3.15Å; N76-K79 WeakPolarHBondContact OD1-CB 3.36Å; N76-K79 PolarHBondContact OD1-N 2.69Å; K79-Q82 PolarHBondContact O-N 3.48Å; K79-Q83 WeakPolarHBondContact O-CG 3.31Å; K79-Q83 PolarHBondContact O-N 2.85Å
80L97.4Very high97.1Very high0 Ų063.2 Ų63.20%032%0.321CS..Hα-helixtrans-63.2-44.7176.2-72.2167.4000111.7W68 N76 Q82 Q83 F84 F109 I275W68-L80 HydrophobicContact CB-CD2 4.18Å; W68-L80 HydrophobicContact CD2-CD2 4.02Å; W68-L80 HydrophobicContact CG-CD2 3.72Å; N76-L80 WeakPolarHBondContact O-CG 3.19Å; N76-L80 PolarHBondContact O-N 3.16Å; L80-Q82 VanDerWaalsContact C-N 3.34Å; L80-Q82 PolarHBondContact O-N 3.4Å; L80-Q83 PolarHBondContact O-N 3.26Å; L80-F84 HydrophobicContact CD2-CD2 4.28Å; L80-F84 HydrophobicContact CD2-CE2 4.14Å; L80-F84 PolarHBondContact O-N 3.39Å; L80-F109 HydrophobicContact CB-CE1 3.83Å; L80-F109 HydrophobicContact CB-CZ 3.91Å; L80-F109 HydrophobicContact CD2-CZ 4.45Å; L80-I275 HydrophobicContact CD1-CD1 3.91Å
81L97.8Very high97.1Very high34 Ų3460.8 Ų60.818%0.17831%0.307CS..Hα-helixtrans-61.5-40.3175.5-75.9168.1000112.3F77 Q83 D85 F109 K110 I113F77-L81 WeakPolarHBondContact O-CB 3.49Å; F77-L81 WeakPolarHBondContact O-CD1 3.37Å; F77-L81 VanDerWaalsContact O-CG 3.22Å; F77-L81 WeakPolarHBondContact O-CG 3.2Å; F77-L81 PolarHBondContact O-N 3.34Å; L81-Q83 PolarHBondContact O-N 2.8Å; L81-D85 WeakPolarHBondContact O-CA 3.28Å; L81-D85 WeakPolarHBondContact O-CB 3.34Å; L81-D85 PolarHBondContact O-N 3.23Å; L81-F109 HydrophobicContact CD2-CD1 4.48Å; L81-K110 HydrophobicContact CD2-CB 3.78Å; L81-I113 HydrophobicContact CD1-CG2 3.85Å; L81-I113 HydrophobicContact CD2-CB 3.97Å; L81-I113 HydrophobicContact CD2-CG1 4.13Å; L81-I113 HydrophobicContact CD2-CG2 4.13Å; L81-I113 HydrophobicContact CG-CB 4.31Å; L81-I113 HydrophobicContact CG-CG1 4.39Å; L81-I113 HydrophobicContact CG-CG2 3.95Å
82Q96.4Very high97.2Very high126 Ų12651 Ų5159%0.58926%0.261SS*.Hα-helixtrans-61-25.9174.8-73.4172-1.700113.3Q78 K79 L80Q78-Q82 WeakPolarHBondContact O-CG 3.45Å; Q78-Q82 PolarHBondContact O-N 3.19Å; Q78-Q82 VanDerWaalsContact O-N 3.12Å; K79-Q82 PolarHBondContact O-N 3.48Å; L80-Q82 VanDerWaalsContact C-N 3.34Å; L80-Q82 PolarHBondContact O-N 3.4Å
83Q94.4Very high97.2Very high39 Ų3944.9 Ų44.918%0.18223%0.234CC..Hα-helixtrans-93-36.3-175.9-76.6-179.5-12.400112.8Q67 K79 L80 L81Q67-Q83 VanDerWaalsContact OE1-NE2 3.1Å; K79-Q83 WeakPolarHBondContact O-CG 3.31Å; K79-Q83 PolarHBondContact O-N 2.85Å; L80-Q83 PolarHBondContact O-N 3.26Å; L81-Q83 PolarHBondContact O-N 2.8Å
84F96.3Very high97.2Very high1 Ų143.5 Ų43.50%0.00422%0.218CC..Hα-helixtrans-132.27.7-164.5-53.5-64.3000114.5W68 L80 E86 T87 F109 W136 M138 F142 H145W68-F84 HydrophobicContact CZ2-CE2 4.02Å; W68-F84 HydrophobicContact CZ2-CZ 4.05Å; L80-F84 HydrophobicContact CD2-CD2 4.28Å; L80-F84 HydrophobicContact CD2-CE2 4.14Å; L80-F84 PolarHBondContact O-N 3.39Å; F84-E86 PolarHBondContact O-N 3.32Å; F84-T87 WeakPolarHBondContact O-CB 3.45Å; F84-T87 PolarHBondContact O-N 3.42Å; F84-T87 PolarHBondContact O-OG1 3.14Å; F84-F109 HydrophobicContact CB-CB 4.39Å; F84-F109 HydrophobicContact CB-CD1 3.72Å; F84-F109 HydrophobicContact CB-CD2 4.31Å; F84-F109 HydrophobicContact CB-CE1 4.01Å; F84-F109 HydrophobicContact CB-CG 3.88Å; F84-F109 HydrophobicContact CB-CZ 4.43Å; F84-F109 HydrophobicContact CD2-CE1 4.44Å; F84-F109 HydrophobicContact CD2-CZ 4.33Å; F84-F109 VanDerWaalsContact O-CB 3.25Å; F84-F109 WeakPolarHBondContact O-CB 3.34Å; F84-W136 HydrophobicContact CB-CH2 4.2Å; F84-W136 AromaticContact CD1-CH2 3.57Å; F84-W136 HydrophobicContact CD1-CH2 3.57Å; F84-W136 AromaticContact CD1-CZ2 3.93Å; F84-W136 HydrophobicContact CD1-CZ2 3.93Å; F84-W136 AromaticContact CD2-CH2 3.79Å; F84-W136 HydrophobicContact CD2-CH2 3.79Å; F84-W136 HydrophobicContact CD2-CZ3 4.44Å; F84-W136 AromaticContact CE1-CH2 3.74Å; F84-W136 HydrophobicContact CE1-CH2 3.74Å; F84-W136 HydrophobicContact CE1-CZ2 4.21Å; F84-W136 AromaticContact CE2-CH2 3.96Å; F84-W136 HydrophobicContact CE2-CH2 3.96Å; F84-W136 HydrophobicContact CE2-CZ3 4.46Å; F84-W136 AromaticContact CG-CH2 3.59Å; F84-W136 HydrophobicContact CG-CH2 3.59Å; F84-W136 HydrophobicContact CG-CZ2 4.25Å; F84-W136 AromaticContact CZ-CH2 3.92Å; F84-W136 HydrophobicContact CZ-CH2 3.92Å; F84-M138 HydrophobicContact CE1-CG 3.99Å; F84-M138 HydrophobicContact CE1-SD 4.24Å; F84-M138 HydrophobicContact CZ-CG 4.07Å; F84-M138 HydrophobicContact CZ-SD 4.16Å; F84-F142 HydrophobicContact CD1-CE2 4.5Å; F84-F142 HydrophobicContact CE1-CD2 4.3Å; F84-F142 HydrophobicContact CE1-CG 4.37Å; F84-H145 AromaticContact CE1-CE1 3.55Å; F84-H145 AromaticContact CE1-ND1 3.73Å; F84-H145 AromaticContact CZ-CE1 3.81Å; F84-H145 AromaticContact CZ-ND1 3.63Å
85D94Very high97Very high78 Ų7845.5 Ų45.542%0.41723%0.233SC..THydrogen-bonded Turntrans-17.7-80.9-175.5-158.820.1000116.9L81 T87 K110L81-D85 WeakPolarHBondContact O-CA 3.28Å; L81-D85 WeakPolarHBondContact O-CB 3.34Å; L81-D85 PolarHBondContact O-N 3.23Å; D85-T87 VanDerWaalsContact C-N 3.31Å; D85-T87 PolarHBondContact O-N 2.89Å; D85-K110 WeakPolarHBondContact O-CB 3.45Å; D85-K110 PolarHBondContact O-N 2.87Å; D85-K110 WeakPolarHBondContact OD1-CB 3.25Å
86E97Very high96.7Very high111 Ų11146.5 Ų46.552%0.51924%0.242SC..THydrogen-bonded Turntrans-86.73.2-176.9-60.3-68.6177.800113.8F84 K110F84-E86 PolarHBondContact O-N 3.32Å; E86-K110 WeakPolarHBondContact OE1-CE 3.34Å; E86-K110 IonicContact OE1-NZ 3.27Å; E86-K110 PolarHBondContact OE1-NZ 2.75Å; E86-K110 WeakPolarHBondContact OE2-CE 3.49Å; E86-K110 IonicContact OE2-NZ 2.93Å; E86-K110 PolarHBondContact OE2-NZ 2.93Å
87T97.5Very high96.4Very high21 Ų2150.2 Ų50.213%0.12926%0.256CS..  trans-59.1126.9-175.1-62.90000110F84 D85 V89 F109 W136 F142F84-T87 WeakPolarHBondContact O-CB 3.45Å; F84-T87 PolarHBondContact O-N 3.42Å; F84-T87 PolarHBondContact O-OG1 3.14Å; D85-T87 VanDerWaalsContact C-N 3.31Å; D85-T87 PolarHBondContact O-N 2.89Å; T87-V89 HydrophobicContact CG2-CG1 4.11Å; T87-V89 PolarHBondContact O-N 3.4Å; T87-F109 WeakPolarHBondContact O-CB 3.4Å; T87-F109 PolarHBondContact O-N 3.03Å; T87-W136 HydrophobicContact CG2-CZ2 4.07Å; T87-F142 HydrophobicContact CG2-CE2 3.6Å; T87-F142 HydrophobicContact CG2-CZ 3.59Å; T87-F142 WeakPolarHBondContact OG1-CZ 3.33Å
88P98Very high95.9Very high86 Ų8654 Ų5456%0.55827%0.274SS*.EExtended strand (participates in β ladder)trans-68.2124.5174.327-32.5000109.6I106P88-I106 HydrophobicContact CB-CG2 3.57Å
89V98.3Very high95.2Very high0 Ų058.8 Ų58.80%029%0.288CS..EExtended strand (participates in β ladder)trans-128.8144.3-177.6-67.50000112.9T87 V91 I106 I107 F109 L133 W136T87-V89 HydrophobicContact CG2-CG1 4.11Å; T87-V89 PolarHBondContact O-N 3.4Å; V89-V91 HydrophobicContact CG2-CG2 4.09Å; V89-V91 PolarHBondContact O-N 2.83Å; V89-I106 WeakPolarHBondContact O-CA 3.41Å; V89-I107 WeakPolarHBondContact CG2-O 3.45Å; V89-I107 PolarHBondContact N-O 3.04Å; V89-I107 PolarHBondContact O-N 2.85Å; V89-I107 VanDerWaalsContact O-N 3.08Å; V89-F109 HydrophobicContact CG1-CB 4.2Å; V89-F109 HydrophobicContact CG1-CD2 3.87Å; V89-F109 HydrophobicContact CG2-CB 4.13Å; V89-F109 HydrophobicContact CG2-CD2 4.08Å; V89-L133 HydrophobicContact CB-CD1 3.82Å; V89-L133 HydrophobicContact CB-CG 4.26Å; V89-L133 HydrophobicContact CG1-CD1 4.15Å; V89-L133 HydrophobicContact CG2-CD1 3.8Å; V89-L133 HydrophobicContact CG2-CG 4.45Å; V89-W136 HydrophobicContact CG1-CD2 3.92Å; V89-W136 HydrophobicContact CG1-CE3 4.49Å; V89-W136 HydrophobicContact CG1-CG 4.23Å; V89-W136 HydrophobicContact CG1-CZ2 4.05Å
90P98.1Very high94.5Very high17 Ų1758.5 Ų58.511%0.1129%0.29CS..EExtended strand (participates in β ladder)trans-75.6122.6175.729.8-33.3000111.3K104 I106 L133 K134 W136P90-K104 HydrophobicContact CB-CD 4.49Å; P90-I106 HydrophobicContact CB-CD1 3.91Å; P90-L133 WeakPolarHBondContact O-CA 3.12Å; P90-K134 VanDerWaalsContact CG-O 3.25Å; P90-K134 WeakPolarHBondContact CG-O 3.19Å; P90-K134 PolarHBondContact O-N 2.79Å; P90-W136 HydrophobicContact CG-CB 3.96Å
91V98.3Very high93.9Very high0 Ų060.7 Ų60.70%031%0.308CS..EExtended strand (participates in β ladder)trans-127.4120.1-178.91790000109.7V89 K104 Q105 I107 F112 L131 L133V89-V91 HydrophobicContact CG2-CG2 4.09Å; V89-V91 PolarHBondContact O-N 2.83Å; V91-K104 WeakPolarHBondContact O-CA 3.44Å; V91-Q105 PolarHBondContact N-O 2.98Å; V91-Q105 WeakPolarHBondContact O-CG 3.35Å; V91-Q105 PolarHBondContact O-N 3.44Å; V91-I107 HydrophobicContact CB-CD1 4.14Å; V91-I107 HydrophobicContact CB-CG1 4.15Å; V91-I107 HydrophobicContact CG1-CD1 4.32Å; V91-I107 HydrophobicContact CG2-CD1 3.87Å; V91-I107 HydrophobicContact CG2-CG1 3.67Å; V91-F112 HydrophobicContact CB-CD2 4.45Å; V91-F112 HydrophobicContact CG1-CD2 3.78Å; V91-F112 HydrophobicContact CG1-CE2 3.99Å; V91-F112 HydrophobicContact CG2-CB 4.23Å; V91-F112 HydrophobicContact CG2-CD2 3.74Å; V91-F112 HydrophobicContact CG2-CE2 4.35Å; V91-F112 HydrophobicContact CG2-CG 4Å; V91-L131 HydrophobicContact CG1-CB 3.62Å; V91-L131 HydrophobicContact CG1-CD1 4.28Å; V91-L131 HydrophobicContact CG1-CG 4.37Å; V91-L133 HydrophobicContact CG2-CB 4.26Å; V91-L133 HydrophobicContact CG2-CG 4.49Å
92A97.4Very high93.5Very high0 Ų059.2 Ų59.20%030%0.3CS..EExtended strand (participates in β ladder)trans-92148.1178.600000112.2N102 P103 K104 L131 Y132 K134A92-N102 HydrophobicContact CB-CB 3.83Å; A92-P103 CarbonylContact C-O 3.59Å; A92-P103 WeakPolarHBondContact CA-O 3.39Å; A92-K104 HydrophobicContact CB-CG 3.88Å; A92-L131 CarbonylContact O-C 3.59Å; A92-L131 VanDerWaalsContact O-CA 3.26Å; A92-L131 WeakPolarHBondContact O-CA 3.36Å; A92-Y132 PolarHBondContact N-O 2.73Å; A92-Y132 PolarHBondContact O-N 3.23Å; A92-K134 HydrophobicContact CB-CD 3.71Å; A92-K134 HydrophobicContact CB-CG 3.83Å
93N96.6Very high93.3Very high43 Ų4354.5 Ų54.523%0.2328%0.28CS..EExtended strand (participates in β ladder)trans-98.9108.9170.1-172.4-13.6000111N95 A96 P103 K128 L131N93-N95 PolarHBondContact O-N 2.8Å; N93-N95 PolarHBondContact OD1-N 3.39Å; N93-A96 HydrophobicContact CB-CB 4.16Å; N93-A96 PolarHBondContact O-N 3.01Å; N93-A96 VanDerWaalsContact O-N 3.16Å; N93-P103 PolarHBondContact N-O 2.82Å; N93-K128 PolarHBondContact ND2-O 2.73Å; N93-L131 HydrophobicContact CB-CD2 3.89Å
94C96Very high93.3Very high5 Ų558.1 Ų58.13%0.03430%0.295CS..THydrogen-bonded Turntrans-68.9-12.8-178.7-68.20000114.2C130 W182C94-C130 HydrophobicContact CB-CB 4.13Å; C94-C130 VanDerWaalsContact CB-O 3.31Å; C94-C130 WeakPolarHBondContact CB-O 3.48Å; C94-C130 PolarHBondContact N-O 3.31Å; C94-W182 PolarHBondContact O-NE1 3.06Å; C94-W182 VanDerWaalsContact O-NE1 3.11Å; C94-W182 PolarHBondContact SG-N 3.38Å; C94-W182 PolarHBondContact SG-O 3.06Å
95N93.9Very high93.3Very high120 Ų12062.9 Ų62.964%0.64232%0.318SS*.THydrogen-bonded Turntrans-95-3.4175-66.2104.4000113.3N93 G129 C130N93-N95 PolarHBondContact O-N 2.8Å; N93-N95 PolarHBondContact OD1-N 3.39Å; N95-G129 VanDerWaalsContact OD1-CA 3.3Å; N95-G129 WeakPolarHBondContact OD1-CA 3.43Å; N95-C130 WeakPolarHBondContact OD1-CB 3.35Å; N95-C130 PolarHBondContact OD1-N 3.1Å
96A92.5Very high93.4Very high29 Ų2964.7 Ų64.724%0.2433%0.326CS..  trans-111.1146.1176.500000110.4N93 P103 Y225N93-A96 HydrophobicContact CB-CB 4.16Å; N93-A96 PolarHBondContact O-N 3.01Å; N93-A96 VanDerWaalsContact O-N 3.16Å; A96-P103 HydrophobicContact CB-CG 3.57Å; A96-P103 VanDerWaalsContact O-CD 3.3Å; A96-P103 WeakPolarHBondContact O-CD 3.34Å; A96-Y225 PolarHBondContact O-OH 3.12Å
97K91.2Very high93.5Very high118 Ų11860.7 Ų60.751%0.51331%0.308SS..  trans-125119.5178.3179.4-178179.4-178.30109.1N100 A101 Y225K97-N100 WeakPolarHBondContact CE-OD1 3.47Å; K97-N100 PolarHBondContact NZ-OD1 2.59Å; K97-A101 WeakPolarHBondContact CA-O 3.22Å; K97-Y225 HydrophobicContact CB-CE1 4.35Å; K97-Y225 HydrophobicContact CB-CE2 4.43Å; K97-Y225 HydrophobicContact CD-CD1 3.99Å; K97-Y225 HydrophobicContact CD-CD2 4Å; K97-Y225 HydrophobicContact CD-CE1 4.14Å; K97-Y225 HydrophobicContact CD-CE2 4.15Å; K97-Y225 HydrophobicContact CD-CG 3.9Å; K97-Y225 HydrophobicContact CG-CD2 4.12Å; K97-Y225 HydrophobicContact CG-CE1 4.27Å; K97-Y225 HydrophobicContact CG-CE2 3.81Å; K97-Y225 HydrophobicContact CG-CG 4.47Å
98E87.7Confident93.5Very high110 Ų11061.4 Ų61.451%0.51431%0.313SS..BIsolated β-bridgetrans-132.6125.1171.8-70.4-178.2-15900108.3N100 A101 P103E98-N100 VanDerWaalsContact C-N 3.3Å; E98-N100 PolarHBondContact O-N 2.72Å; E98-A101 PolarHBondContact N-O 3.19Å; E98-A101 CarbonylContact O-C 3.56Å; E98-A101 PolarHBondContact O-N 3.28Å; E98-A101 VanDerWaalsContact O-O 3.11Å; E98-P103 HydrophobicContact CB-CB 4.2Å; E98-P103 VanDerWaalsContact CD-CB 3.49Å; E98-P103 HydrophobicContact CG-CB 4.02Å; E98-P103 HydrophobicContact CG-CG 4.09Å
99Y83.2Confident93.6Very high229 Ų22957.3 Ų57.390%0.89829%0.286SS*.THydrogen-bonded Turntrans49.244.1-179.7-52.1-76.8000114.5A101Y99-A101 PolarHBondContact O-N 2.84Å
100N82.3Confident93.6Very high62 Ų6260.8 Ų60.833%0.33230%0.302SS..THydrogen-bonded Turntrans59.120.8-175-72.2-30000115.3K97 E98 Y225K97-N100 WeakPolarHBondContact CE-OD1 3.47Å; K97-N100 PolarHBondContact NZ-OD1 2.59Å; E98-N100 VanDerWaalsContact C-N 3.3Å; E98-N100 PolarHBondContact O-N 2.72Å; N100-Y225 HydrophobicContact CB-CD2 4.35Å; N100-Y225 WeakPolarHBondContact O-CD2 3.41Å; N100-Y225 WeakPolarHBondContact O-CE2 3.44Å
101A85.6Confident93.6Very high45 Ų4564.9 Ų64.937%0.37232%0.319SS..BIsolated β-bridgetrans-128.5170.6173.200000111.6K97 E98 Y99K97-A101 WeakPolarHBondContact CA-O 3.22Å; E98-A101 PolarHBondContact N-O 3.19Å; E98-A101 CarbonylContact O-C 3.56Å; E98-A101 PolarHBondContact O-N 3.28Å; E98-A101 VanDerWaalsContact O-O 3.11Å; Y99-A101 PolarHBondContact O-N 2.84Å
102N89.6Confident93.6Very high4 Ų464.9 Ų64.92%0.02132%0.319CS..  trans-82.8124.9166.8-47.7116.1000108.9A92 K134 P184 Y225A92-N102 HydrophobicContact CB-CB 3.83Å; N102-K134 PolarHBondContact OD1-NZ 2.62Å; N102-K134 VanDerWaalsContact OD1-NZ 3.14Å; N102-P184 WeakPolarHBondContact OD1-CD 3.38Å; N102-Y225 PolarHBondContact ND2-OH 2.7Å
103P91.3Very high93.7Very high27 Ų2764.9 Ų64.918%0.17532%0.319CS..  trans-65.6141.317827.4-33.3000110.8A92 N93 A96 E98A92-P103 CarbonylContact C-O 3.59Å; A92-P103 WeakPolarHBondContact CA-O 3.39Å; N93-P103 PolarHBondContact N-O 2.82Å; A96-P103 HydrophobicContact CB-CG 3.57Å; A96-P103 VanDerWaalsContact O-CD 3.3Å; A96-P103 WeakPolarHBondContact O-CD 3.34Å; E98-P103 HydrophobicContact CB-CB 4.2Å; E98-P103 VanDerWaalsContact CD-CB 3.49Å; E98-P103 HydrophobicContact CG-CB 4.02Å; E98-P103 HydrophobicContact CG-CG 4.09Å
104K94Very high93.8Very high114 Ų11468 Ų6850%0.49633%0.332SS..EExtended strand (participates in β ladder)trans-110.6141-176.6-72.4-175.7-74.3-176.50110.9P90 V91 A92 K134 D135P90-K104 HydrophobicContact CB-CD 4.49Å; V91-K104 WeakPolarHBondContact O-CA 3.44Å; A92-K104 HydrophobicContact CB-CG 3.88Å; K104-K134 HydrophobicContact CD-CG 4.21Å; K104-D135 IonicContact NZ-OD2 3.79Å; K104-D135 PolarHBondContact NZ-OD2 2.94Å
105Q95.8Very high93.9Very high102 Ų10267.9 Ų67.948%0.47733%0.331SS..EExtended strand (participates in β ladder)trans-124.7152.5168.357.2178.3-3.800109.8V91 I107V91-Q105 PolarHBondContact N-O 2.98Å; V91-Q105 WeakPolarHBondContact O-CG 3.35Å; V91-Q105 PolarHBondContact O-N 3.44Å; Q105-I107 HydrophobicContact CG-CG2 4.02Å
106I98.1Very high94.1Very high116 Ų11662.2 Ų62.260%0.59530%0.301SS*.EExtended strand (participates in β ladder)trans-93.9120.9171.6-55.2-54.6000108.2P88 V89 P90P88-I106 HydrophobicContact CB-CG2 3.57Å; V89-I106 WeakPolarHBondContact O-CA 3.41Å; P90-I106 HydrophobicContact CB-CD1 3.91Å
107I97.9Very high94.4Very high26 Ų2665.2 Ų65.213%0.13331%0.306CS..EExtended strand (participates in β ladder)trans-132.5158.117664.2174000110.5V89 V91 Q105 F112V89-I107 WeakPolarHBondContact CG2-O 3.45Å; V89-I107 PolarHBondContact N-O 3.04Å; V89-I107 PolarHBondContact O-N 2.85Å; V89-I107 VanDerWaalsContact O-N 3.08Å; V91-I107 HydrophobicContact CB-CD1 4.14Å; V91-I107 HydrophobicContact CB-CG1 4.15Å; V91-I107 HydrophobicContact CG1-CD1 4.32Å; V91-I107 HydrophobicContact CG2-CD1 3.87Å; V91-I107 HydrophobicContact CG2-CG1 3.67Å; Q105-I107 HydrophobicContact CG-CG2 4.02Å; I107-F112 HydrophobicContact CD1-CB 3.93Å; I107-F112 HydrophobicContact CG1-CB 4.38Å
108P98.5Very high94.7Very high36 Ų3663 Ų6323%0.23430%0.298CS..EExtended strand (participates in β ladder)trans-60.8137.3172.5-2334.3000111.6K110 E111 F112P108-K110 VanDerWaalsContact C-N 3.25Å; P108-K110 HydrophobicContact CB-CG 4.13Å; P108-K110 PolarHBondContact O-N 2.94Å; P108-E111 HydrophobicContact CB-CG 4.15Å; P108-E111 HydrophobicContact CG-CG 4.26Å; P108-E111 WeakPolarHBondContact O-CB 3.45Å; P108-E111 PolarHBondContact O-N 2.76Å; P108-F112 PolarHBondContact O-N 3.17Å
109F98.6Very high95.2Very high0 Ų058.8 Ų58.80%028%0.277CS..Hα-helixtrans-55.2-40.3-178.4-175-96.7000112.6L80 L81 F84 T87 V89 E111 F112 I113 L133 W136 M176L80-F109 HydrophobicContact CB-CE1 3.83Å; L80-F109 HydrophobicContact CB-CZ 3.91Å; L80-F109 HydrophobicContact CD2-CZ 4.45Å; L81-F109 HydrophobicContact CD2-CD1 4.48Å; F84-F109 HydrophobicContact CB-CB 4.39Å; F84-F109 HydrophobicContact CB-CD1 3.72Å; F84-F109 HydrophobicContact CB-CD2 4.31Å; F84-F109 HydrophobicContact CB-CE1 4.01Å; F84-F109 HydrophobicContact CB-CG 3.88Å; F84-F109 HydrophobicContact CB-CZ 4.43Å; F84-F109 HydrophobicContact CD2-CE1 4.44Å; F84-F109 HydrophobicContact CD2-CZ 4.33Å; F84-F109 VanDerWaalsContact O-CB 3.25Å; F84-F109 WeakPolarHBondContact O-CB 3.34Å; T87-F109 WeakPolarHBondContact O-CB 3.4Å; T87-F109 PolarHBondContact O-N 3.03Å; V89-F109 HydrophobicContact CG1-CB 4.2Å; V89-F109 HydrophobicContact CG1-CD2 3.87Å; V89-F109 HydrophobicContact CG2-CB 4.13Å; V89-F109 HydrophobicContact CG2-CD2 4.08Å; F109-E111 VanDerWaalsContact C-N 3.27Å; F109-E111 PolarHBondContact O-N 2.91Å; F109-F112 WeakPolarHBondContact O-CB 3.42Å; F109-F112 PolarHBondContact O-N 2.86Å; F109-F112 VanDerWaalsContact O-N 3.16Å; F109-I113 HydrophobicContact CD1-CG1 3.83Å; F109-I113 HydrophobicContact CE1-CD1 3.86Å; F109-I113 HydrophobicContact CE1-CG1 3.42Å; F109-I113 VanDerWaalsContact CE1-CG1 3.42Å; F109-I113 HydrophobicContact CE2-CD1 4.4Å; F109-I113 HydrophobicContact CZ-CD1 3.74Å; F109-I113 HydrophobicContact CZ-CG1 3.84Å; F109-I113 WeakPolarHBondContact O-CG1 3.5Å; F109-I113 PolarHBondContact O-N 2.8Å; F109-L133 HydrophobicContact CD2-CD1 3.91Å; F109-L133 HydrophobicContact CE2-CD1 3.83Å; F109-W136 HydrophobicContact CE2-CH2 4.48Å; F109-W136 HydrophobicContact CE2-CZ3 4.19Å; F109-M176 HydrophobicContact CE2-CE 4Å; F109-M176 HydrophobicContact CE2-SD 3.6Å; F109-M176 VanDerWaalsContact CE2-SD 3.6Å; F109-M176 HydrophobicContact CZ-CE 4.3Å; F109-M176 HydrophobicContact CZ-SD 3.82Å
110K98.6Very high95.9Very high74 Ų7450.4 Ų50.432%0.32225%0.247SC..Hα-helixtrans-57.8-36.6175.569.1-179.9-173.4-179.60113.7L81 D85 E86 P108 I113 H114L81-K110 HydrophobicContact CD2-CB 3.78Å; D85-K110 WeakPolarHBondContact O-CB 3.45Å; D85-K110 PolarHBondContact O-N 2.87Å; D85-K110 WeakPolarHBondContact OD1-CB 3.25Å; E86-K110 WeakPolarHBondContact OE1-CE 3.34Å; E86-K110 IonicContact OE1-NZ 3.27Å; E86-K110 PolarHBondContact OE1-NZ 2.75Å; E86-K110 WeakPolarHBondContact OE2-CE 3.49Å; E86-K110 IonicContact OE2-NZ 2.93Å; E86-K110 PolarHBondContact OE2-NZ 2.93Å; P108-K110 VanDerWaalsContact C-N 3.25Å; P108-K110 HydrophobicContact CB-CG 4.13Å; P108-K110 PolarHBondContact O-N 2.94Å; K110-I113 PolarHBondContact O-N 2.75Å; K110-H114 WeakPolarHBondContact O-CB 3.28Å; K110-H114 PolarHBondContact O-N 2.93Å
111E98.5Very high96.7Very high102 Ų10254.9 Ų54.948%0.47727%0.266SS..Hα-helixtrans-71.3-39.9178.8-66.8-174.9-164.400110.4P108 F109 H114 Y115P108-E111 HydrophobicContact CB-CG 4.15Å; P108-E111 HydrophobicContact CG-CG 4.26Å; P108-E111 WeakPolarHBondContact O-CB 3.45Å; P108-E111 PolarHBondContact O-N 2.76Å; F109-E111 VanDerWaalsContact C-N 3.27Å; F109-E111 PolarHBondContact O-N 2.91Å; E111-H114 PolarHBondContact O-N 2.71Å; E111-Y115 WeakPolarHBondContact O-CB 3.38Å; E111-Y115 PolarHBondContact O-N 3.23Å
112F98.6Very high97.2Very high0 Ų057.7 Ų57.70%028%0.275CS..Hα-helixtrans-60.6-46.5172.9175.9-109.8000111.9V91 I107 P108 F109 H114 Y115 W116 L131 L133 M176V91-F112 HydrophobicContact CB-CD2 4.45Å; V91-F112 HydrophobicContact CG1-CD2 3.78Å; V91-F112 HydrophobicContact CG1-CE2 3.99Å; V91-F112 HydrophobicContact CG2-CB 4.23Å; V91-F112 HydrophobicContact CG2-CD2 3.74Å; V91-F112 HydrophobicContact CG2-CE2 4.35Å; V91-F112 HydrophobicContact CG2-CG 4Å; I107-F112 HydrophobicContact CD1-CB 3.93Å; I107-F112 HydrophobicContact CG1-CB 4.38Å; P108-F112 PolarHBondContact O-N 3.17Å; F109-F112 WeakPolarHBondContact O-CB 3.42Å; F109-F112 PolarHBondContact O-N 2.86Å; F109-F112 VanDerWaalsContact O-N 3.16Å; F112-H114 PolarHBondContact O-N 2.91Å; F112-Y115 HydrophobicContact CD2-CD1 4.32Å; F112-Y115 HydrophobicContact CE2-CD1 4.38Å; F112-Y115 WeakPolarHBondContact O-CB 3.29Å; F112-Y115 PolarHBondContact O-N 2.8Å; F112-W116 HydrophobicContact CD1-CE3 4.44Å; F112-W116 AromaticContact CE1-CE3 3.53Å; F112-W116 HydrophobicContact CE1-CE3 3.53Å; F112-W116 AromaticContact CE1-CZ3 3.88Å; F112-W116 HydrophobicContact CE1-CZ3 3.88Å; F112-W116 AromaticContact CZ-CE3 3.81Å; F112-W116 HydrophobicContact CZ-CE3 3.81Å; F112-W116 HydrophobicContact CZ-CZ3 4.25Å; F112-W116 WeakPolarHBondContact O-CB 3.3Å; F112-W116 PolarHBondContact O-N 3.26Å; F112-L131 HydrophobicContact CE2-CB 4.26Å; F112-L133 HydrophobicContact CD1-CB 4.16Å; F112-L133 HydrophobicContact CD1-CD1 3.97Å; F112-L133 HydrophobicContact CE1-CB 3.67Å; F112-L133 HydrophobicContact CE1-CD1 4.08Å; F112-L133 HydrophobicContact CE2-CB 4.23Å; F112-L133 HydrophobicContact CZ-CB 3.7Å; F112-M176 HydrophobicContact CE1-CG 3.9Å; F112-M176 HydrophobicContact CE1-SD 4.3Å; F112-M176 WeakPolarHBondContact CZ-O 3.43Å
113I98.6Very high97.5Very high0 Ų060.3 Ų60.30%030%0.303CS..Hα-helixtrans-65.4-38177.4-64.2-54.4000111.9F77 L81 F109 K110 W116 R117F77-I113 HydrophobicContact CB-CG2 3.84Å; F77-I113 HydrophobicContact CD1-CD1 3.86Å; F77-I113 HydrophobicContact CD1-CG2 3.92Å; F77-I113 HydrophobicContact CE1-CD1 4.18Å; F77-I113 HydrophobicContact CG-CG2 3.96Å; L81-I113 HydrophobicContact CD1-CG2 3.85Å; L81-I113 HydrophobicContact CD2-CB 3.97Å; L81-I113 HydrophobicContact CD2-CG1 4.13Å; L81-I113 HydrophobicContact CD2-CG2 4.13Å; L81-I113 HydrophobicContact CG-CB 4.31Å; L81-I113 HydrophobicContact CG-CG1 4.39Å; L81-I113 HydrophobicContact CG-CG2 3.95Å; F109-I113 HydrophobicContact CD1-CG1 3.83Å; F109-I113 HydrophobicContact CE1-CD1 3.86Å; F109-I113 HydrophobicContact CE1-CG1 3.42Å; F109-I113 VanDerWaalsContact CE1-CG1 3.42Å; F109-I113 HydrophobicContact CE2-CD1 4.4Å; F109-I113 HydrophobicContact CZ-CD1 3.74Å; F109-I113 HydrophobicContact CZ-CG1 3.84Å; F109-I113 WeakPolarHBondContact O-CG1 3.5Å; F109-I113 PolarHBondContact O-N 2.8Å; K110-I113 PolarHBondContact O-N 2.75Å; I113-W116 HydrophobicContact CD1-CE3 4.09Å; I113-W116 PolarHBondContact O-N 2.83Å; I113-R117 WeakPolarHBondContact O-CG 3.48Å; I113-R117 PolarHBondContact O-N 3.27Å
114H98.3Very high97.8Very high109 Ų10962.2 Ų62.251%0.50531%0.309SS..Hα-helixtrans-61.7-48.8174.8-177.955.3000111.2K110 E111 F112 W116 R117 E118K110-H114 WeakPolarHBondContact O-CB 3.28Å; K110-H114 PolarHBondContact O-N 2.93Å; E111-H114 PolarHBondContact O-N 2.71Å; F112-H114 PolarHBondContact O-N 2.91Å; H114-W116 VanDerWaalsContact C-N 3.31Å; H114-W116 PolarHBondContact O-N 2.74Å; H114-R117 PolarHBondContact O-N 2.94Å; H114-E118 IonicContact CE1-OE1 2.7Å; H114-E118 IonicContact NE2-OE1 3.28Å; H114-E118 PolarHBondContact NE2-OE1 2.87Å; H114-E118 WeakPolarHBondContact O-CG 3.44Å; H114-E118 PolarHBondContact O-N 2.95Å
115Y98.4Very high97.8Very high3 Ų360.3 Ų60.31%0.01231%0.31CS..Hα-helixtrans-54.1-46.9172.7156.7-91.5000111.9E111 F112 R117 E118 Y119 K128 G129 C130 L131E111-Y115 WeakPolarHBondContact O-CB 3.38Å; E111-Y115 PolarHBondContact O-N 3.23Å; F112-Y115 HydrophobicContact CD2-CD1 4.32Å; F112-Y115 HydrophobicContact CE2-CD1 4.38Å; F112-Y115 WeakPolarHBondContact O-CB 3.29Å; F112-Y115 PolarHBondContact O-N 2.8Å; Y115-R117 VanDerWaalsContact C-N 3.34Å; Y115-R117 PolarHBondContact O-N 2.86Å; Y115-E118 PolarHBondContact O-N 3.41Å; Y115-Y119 HydrophobicContact CE2-CD2 4.21Å; Y115-Y119 AromaticContact CZ-CD2 3.82Å; Y115-Y119 WeakPolarHBondContact O-CB 3.43Å; Y115-Y119 PolarHBondContact O-N 2.91Å; Y115-Y119 WeakPolarHBondContact OH-CD2 3.29Å; Y115-K128 HydrophobicContact CD2-CB 4.47Å; Y115-K128 HydrophobicContact CD2-CD 4.15Å; Y115-K128 HydrophobicContact CE2-CB 4.17Å; Y115-G129 PolarHBondContact OH-O 2.92Å; Y115-C130 VanDerWaalsContact OH-CA 3.29Å; Y115-C130 WeakPolarHBondContact OH-CA 3.26Å; Y115-L131 HydrophobicContact CD1-CB 3.98Å; Y115-L131 HydrophobicContact CD1-CD1 3.94Å; Y115-L131 HydrophobicContact CD1-CG 4.24Å; Y115-L131 HydrophobicContact CD2-CD1 3.9Å; Y115-L131 HydrophobicContact CD2-CG 4.38Å; Y115-L131 HydrophobicContact CE1-CB 3.44Å; Y115-L131 VanDerWaalsContact CE1-CB 3.44Å; Y115-L131 HydrophobicContact CE1-CD1 4.03Å; Y115-L131 HydrophobicContact CE1-CG 3.8Å; Y115-L131 HydrophobicContact CE2-CB 4.45Å; Y115-L131 HydrophobicContact CE2-CD1 3.91Å; Y115-L131 HydrophobicContact CE2-CG 3.89Å; Y115-L131 HydrophobicContact CG-CD1 3.9Å; Y115-L131 PolarHBondContact OH-N 2.76Å
116W98.6Very high97.9Very high0 Ų056.5 Ų56.50%030%0.295CS..Hα-helixtrans-63.6-41.7-176.7-169.1-8.7000111P75 F77 F112 I113 H114 E118 Y119 I120 M176 G177 P178 D273 T274 I275P75-W116 HydrophobicContact CB-CH2 4.41Å; P75-W116 HydrophobicContact CG-CH2 4Å; P75-W116 HydrophobicContact CG-CZ2 3.9Å; F77-W116 AromaticContact CE1-CD2 3.63Å; F77-W116 HydrophobicContact CE1-CD2 3.63Å; F77-W116 AromaticContact CE1-CE3 3.58Å; F77-W116 HydrophobicContact CE1-CE3 3.58Å; F77-W116 HydrophobicContact CE1-CG 4.11Å; F77-W116 HydrophobicContact CE1-CH2 4.31Å; F77-W116 HydrophobicContact CE1-CZ2 4.35Å; F77-W116 AromaticContact CE1-CZ3 3.93Å; F77-W116 HydrophobicContact CE1-CZ3 3.93Å; F77-W116 HydrophobicContact CZ-CB 4.46Å; F77-W116 AromaticContact CZ-CD2 3.69Å; F77-W116 HydrophobicContact CZ-CD2 3.69Å; F77-W116 AromaticContact CZ-CE2 3.83Å; F77-W116 HydrophobicContact CZ-CE3 4.15Å; F77-W116 AromaticContact CZ-CG 3.82Å; F77-W116 HydrophobicContact CZ-CG 3.82Å; F77-W116 HydrophobicContact CZ-CZ2 4.41Å; F77-W116 AromaticContact CZ-NE1 4Å; F112-W116 HydrophobicContact CD1-CE3 4.44Å; F112-W116 AromaticContact CE1-CE3 3.53Å; F112-W116 HydrophobicContact CE1-CE3 3.53Å; F112-W116 AromaticContact CE1-CZ3 3.88Å; F112-W116 HydrophobicContact CE1-CZ3 3.88Å; F112-W116 AromaticContact CZ-CE3 3.81Å; F112-W116 HydrophobicContact CZ-CE3 3.81Å; F112-W116 HydrophobicContact CZ-CZ3 4.25Å; F112-W116 WeakPolarHBondContact O-CB 3.3Å; F112-W116 PolarHBondContact O-N 3.26Å; I113-W116 HydrophobicContact CD1-CE3 4.09Å; I113-W116 PolarHBondContact O-N 2.83Å; H114-W116 VanDerWaalsContact C-N 3.31Å; H114-W116 PolarHBondContact O-N 2.74Å; W116-E118 PolarHBondContact O-N 2.81Å; W116-Y119 WeakPolarHBondContact O-CB 3.49Å; W116-Y119 PolarHBondContact O-N 2.96Å; W116-I120 WeakPolarHBondContact O-CG1 3.25Å; W116-I120 PolarHBondContact O-N 3.08Å; W116-M176 HydrophobicContact CH2-CB 3.9Å; W116-M176 HydrophobicContact CZ3-CB 3.76Å; W116-M176 HydrophobicContact CZ3-CG 3.93Å; W116-M176 HydrophobicContact CZ3-SD 4.13Å; W116-G177 VanDerWaalsContact CH2-N 3.31Å; W116-G177 WeakPolarHBondContact CZ2-O 3.26Å; W116-P178 HydrophobicContact CG-CB 4.48Å; W116-D273 HydrophobicContact CZ2-CB 3.87Å; W116-D273 PolarHBondContact NE1-OD1 3.5Å; W116-T274 WeakPolarHBondContact CH2-O 3.44Å; W116-I275 HydrophobicContact CH2-CG1 4.36Å
117R98.4Very high97.7Very high93 Ų9357.5 Ų57.535%0.35131%0.309SS..Hα-helixtrans-60.5-46.1174.3-72.8172.6171.9177.9-3.1112.3F77 I113 H114 Y115 Y119 I120 Q121F77-R117 VanDerWaalsContact CB-NH2 3.27Å; F77-R117 HydrophobicContact CD2-CG 3.72Å; F77-R117 HydrophobicContact CE2-CG 3.89Å; F77-R117 HydrophobicContact CG-CG 4.43Å; I113-R117 WeakPolarHBondContact O-CG 3.48Å; I113-R117 PolarHBondContact O-N 3.27Å; H114-R117 PolarHBondContact O-N 2.94Å; Y115-R117 VanDerWaalsContact C-N 3.34Å; Y115-R117 PolarHBondContact O-N 2.86Å; R117-Y119 VanDerWaalsContact C-N 3.35Å; R117-I120 PolarHBondContact O-N 2.89Å; R117-Q121 VanDerWaalsContact O-CG 3.3Å; R117-Q121 WeakPolarHBondContact O-CG 3.39Å; R117-Q121 PolarHBondContact O-N 2.89Å
118E98.3Very high97.5Very high72 Ų7262.3 Ų62.334%0.33633%0.329SS..Hα-helixtrans-63.3-41.3176.5-69.3-175.2150.300111.8H114 Y115 W116 I120 Q121 N122H114-E118 IonicContact CE1-OE1 2.7Å; H114-E118 IonicContact NE2-OE1 3.28Å; H114-E118 PolarHBondContact NE2-OE1 2.87Å; H114-E118 WeakPolarHBondContact O-CG 3.44Å; H114-E118 PolarHBondContact O-N 2.95Å; Y115-E118 PolarHBondContact O-N 3.41Å; W116-E118 PolarHBondContact O-N 2.81Å; E118-I120 VanDerWaalsContact C-N 3.32Å; E118-I120 PolarHBondContact O-N 3.35Å; E118-Q121 PolarHBondContact O-N 2.88Å; E118-N122 WeakPolarHBondContact O-CB 3.45Å; E118-N122 VanDerWaalsContact O-CG 3.29Å; E118-N122 PolarHBondContact O-N 3.48Å; E118-N122 PolarHBondContact O-ND2 3.14Å; E118-N122 VanDerWaalsContact O-ND2 3.11Å
119Y98.3Very high97.4Very high20 Ų2061.2 Ų61.28%0.07832%0.324CS..Hα-helixtrans-57-46.1177.3-172.9-93.3000111.2Y115 W116 R117 N122 H124 S125 C130 P178Y115-Y119 HydrophobicContact CE2-CD2 4.21Å; Y115-Y119 AromaticContact CZ-CD2 3.82Å; Y115-Y119 WeakPolarHBondContact O-CB 3.43Å; Y115-Y119 PolarHBondContact O-N 2.91Å; Y115-Y119 WeakPolarHBondContact OH-CD2 3.29Å; W116-Y119 WeakPolarHBondContact O-CB 3.49Å; W116-Y119 PolarHBondContact O-N 2.96Å; R117-Y119 VanDerWaalsContact C-N 3.35Å; Y119-N122 PolarHBondContact O-N 3.45Å; Y119-H124 HydrophobicContact CD1-CB 4.08Å; Y119-H124 VanDerWaalsContact CE1-C 3.44Å; Y119-H124 HydrophobicContact CE1-CB 3.51Å; Y119-H124 WeakPolarHBondContact O-CA 3.45Å; Y119-H124 PolarHBondContact O-N 3.27Å; Y119-H124 PolarHBondContact OH-O 3.4Å; Y119-H124 VanDerWaalsContact OH-O 3.1Å; Y119-S125 PolarHBondContact O-N 3.32Å; Y119-C130 HydrophobicContact CE2-CB 4.43Å; Y119-P178 HydrophobicContact CD1-CB 3.49Å; Y119-P178 VanDerWaalsContact CD1-CB 3.49Å; Y119-P178 HydrophobicContact CD1-CG 3.89Å; Y119-P178 HydrophobicContact CE1-CB 3.62Å; Y119-P178 HydrophobicContact CE1-CG 3.9Å; Y119-P178 HydrophobicContact CG-CB 4.4Å; Y119-P178 HydrophobicContact CG-CG 4.44Å
120I97.9Very high97.3Very high54 Ų5461.4 Ų61.428%0.27733%0.325SS..Hα-helixtrans-62.9-48.2175.8-66.6165.4000110.9F77 W116 R117 E118 N122 G123F77-I120 HydrophobicContact CE2-CD1 4.04Å; F77-I120 HydrophobicContact CZ-CD1 4.09Å; W116-I120 WeakPolarHBondContact O-CG1 3.25Å; W116-I120 PolarHBondContact O-N 3.08Å; R117-I120 PolarHBondContact O-N 2.89Å; E118-I120 VanDerWaalsContact C-N 3.32Å; E118-I120 PolarHBondContact O-N 3.35Å; I120-N122 PolarHBondContact O-N 2.71Å; I120-G123 PolarHBondContact O-N 3.01Å; I120-G123 VanDerWaalsContact O-N 3.07Å
121Q97.7Very high97.3Very high155 Ų15558.2 Ų58.272%0.72431%0.312SS*.Hα-helixtrans-59.9-33-179.3-73171.60.800112.7R117 E118 G123R117-Q121 VanDerWaalsContact O-CG 3.3Å; R117-Q121 WeakPolarHBondContact O-CG 3.39Å; R117-Q121 PolarHBondContact O-N 2.89Å; E118-Q121 PolarHBondContact O-N 2.88Å; Q121-G123 PolarHBondContact O-N 3.24Å
122N97.3Very high97.3Very high105 Ų10553.6 Ų53.656%0.56129%0.29SS*.THydrogen-bonded Turntrans-86.819.8178.3-66.6-33.7000113.5E118 Y119 I120 S125E118-N122 WeakPolarHBondContact O-CB 3.45Å; E118-N122 VanDerWaalsContact O-CG 3.29Å; E118-N122 PolarHBondContact O-N 3.48Å; E118-N122 PolarHBondContact O-ND2 3.14Å; E118-N122 VanDerWaalsContact O-ND2 3.11Å; Y119-N122 PolarHBondContact O-N 3.45Å; I120-N122 PolarHBondContact O-N 2.71Å; N122-S125 WeakPolarHBondContact CB-O 3.45Å
123G96.6Very high97.3Very high59 Ų5953.6 Ų53.661%0.60829%0.29SS*.THydrogen-bonded Turntrans72.632.8177.700000113.6I120 Q121I120-G123 PolarHBondContact O-N 3.01Å; I120-G123 VanDerWaalsContact O-N 3.07Å; Q121-G123 PolarHBondContact O-N 3.24Å
124H96.4Very high97.1Very high66 Ų6654.4 Ų54.431%0.30629%0.293SS..SBendtrans66.549.5-177.2-56.575000113.1Y119Y119-H124 HydrophobicContact CD1-CB 4.08Å; Y119-H124 VanDerWaalsContact CE1-C 3.44Å; Y119-H124 HydrophobicContact CE1-CB 3.51Å; Y119-H124 WeakPolarHBondContact O-CA 3.45Å; Y119-H124 PolarHBondContact O-N 3.27Å; Y119-H124 PolarHBondContact OH-O 3.4Å; Y119-H124 VanDerWaalsContact OH-O 3.1Å
125S95.3Very high97Very high74 Ų7450.9 Ų50.952%0.51728%0.278SS..  trans-144.7147.4177-169.60000111.2Y119 N122Y119-S125 PolarHBondContact O-N 3.32Å; N122-S125 WeakPolarHBondContact CB-O 3.45Å
126S96.7Very high97Very high22 Ų2250.9 Ų50.915%0.15428%0.278CS..  trans-156.1144.8173.4177.30000110.5K128 G129S126-K128 PolarHBondContact O-N 2.97Å; S126-K128 PolarHBondContact OG-N 3.47Å; S126-G129 PolarHBondContact O-N 2.91Å
127P94.4Very high96.9Very high138 Ų13852.6 Ų52.690%0.89629%0.286SS*.THydrogen-bonded Turntrans-62.7-18.8171.727.4-36.1000113.1G129P127-G129 PolarHBondContact O-N 3.45Å
128K93.4Very high96.8Very high127 Ų12748.3 Ų48.355%0.55227%0.27SS*.THydrogen-bonded Turntrans-76.3-5.2174.3-61.8-177.7-179176.20113N93 Y115 S126 L131N93-K128 PolarHBondContact ND2-O 2.73Å; Y115-K128 HydrophobicContact CD2-CB 4.47Å; Y115-K128 HydrophobicContact CD2-CD 4.15Å; Y115-K128 HydrophobicContact CE2-CB 4.17Å; S126-K128 PolarHBondContact O-N 2.97Å; S126-K128 PolarHBondContact OG-N 3.47Å; K128-L131 HydrophobicContact CB-CD1 4.5Å
129G95.4Very high96.5Very high12 Ų1246 Ų4612%0.12426%0.262CS..  trans81.7-168.3-168.700000112.1N95 Y115 S126 P127N95-G129 VanDerWaalsContact OD1-CA 3.3Å; N95-G129 WeakPolarHBondContact OD1-CA 3.43Å; Y115-G129 PolarHBondContact OH-O 2.92Å; S126-G129 PolarHBondContact O-N 2.91Å; P127-G129 PolarHBondContact O-N 3.45Å
130C97.7Very high96.3Very high5 Ų549.8 Ų49.83%0.03428%0.276CS..  trans-92.4106.1175.3-174.10000109C94 N95 Y115 Y119 G180 S181C94-C130 HydrophobicContact CB-CB 4.13Å; C94-C130 VanDerWaalsContact CB-O 3.31Å; C94-C130 WeakPolarHBondContact CB-O 3.48Å; C94-C130 PolarHBondContact N-O 3.31Å; N95-C130 WeakPolarHBondContact OD1-CB 3.35Å; N95-C130 PolarHBondContact OD1-N 3.1Å; Y115-C130 VanDerWaalsContact OH-CA 3.29Å; Y115-C130 WeakPolarHBondContact OH-CA 3.26Å; Y119-C130 HydrophobicContact CE2-CB 4.43Å; C130-G180 VanDerWaalsContact SG-C 3.6Å; C130-S181 WeakPolarHBondContact SG-CA 3.33Å; C130-S181 PolarHBondContact SG-N 3.46Å
131L98.4Very high96.1Very high7 Ų750.4 Ų50.44%0.03728%0.28CS..EExtended strand (participates in β ladder)trans-93.2136.4-178.5-54.8-177.8000110.7V91 A92 N93 F112 Y115 K128 P178V91-L131 HydrophobicContact CG1-CB 3.62Å; V91-L131 HydrophobicContact CG1-CD1 4.28Å; V91-L131 HydrophobicContact CG1-CG 4.37Å; A92-L131 CarbonylContact O-C 3.59Å; A92-L131 VanDerWaalsContact O-CA 3.26Å; A92-L131 WeakPolarHBondContact O-CA 3.36Å; N93-L131 HydrophobicContact CB-CD2 3.89Å; F112-L131 HydrophobicContact CE2-CB 4.26Å; Y115-L131 HydrophobicContact CD1-CB 3.98Å; Y115-L131 HydrophobicContact CD1-CD1 3.94Å; Y115-L131 HydrophobicContact CD1-CG 4.24Å; Y115-L131 HydrophobicContact CD2-CD1 3.9Å; Y115-L131 HydrophobicContact CD2-CG 4.38Å; Y115-L131 HydrophobicContact CE1-CB 3.44Å; Y115-L131 VanDerWaalsContact CE1-CB 3.44Å; Y115-L131 HydrophobicContact CE1-CD1 4.03Å; Y115-L131 HydrophobicContact CE1-CG 3.8Å; Y115-L131 HydrophobicContact CE2-CB 4.45Å; Y115-L131 HydrophobicContact CE2-CD1 3.91Å; Y115-L131 HydrophobicContact CE2-CG 3.89Å; Y115-L131 HydrophobicContact CG-CD1 3.9Å; Y115-L131 PolarHBondContact OH-N 2.76Å; K128-L131 HydrophobicContact CB-CD1 4.5Å; L131-P178 WeakPolarHBondContact O-CD 3.49Å
132Y98.5Very high95.9Very high4 Ų445 Ų452%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-130.3115-175.4-175.5-155.9000110.4A92 K134 Y175 M176 N270A92-Y132 PolarHBondContact N-O 2.73Å; A92-Y132 PolarHBondContact O-N 3.23Å; Y132-K134 HydrophobicContact CD1-CB 4.2Å; Y132-K134 HydrophobicContact CD1-CD 4.17Å; Y132-K134 HydrophobicContact CE1-CB 4.24Å; Y132-K134 PolarHBondContact O-N 2.7Å; Y132-Y175 HydrophobicContact CE1-CD1 4.04Å; Y132-Y175 HydrophobicContact CE2-CD1 4.39Å; Y132-Y175 AromaticContact CZ-CD1 3.69Å; Y132-Y175 WeakPolarHBondContact OH-CB 3.39Å; Y132-Y175 WeakPolarHBondContact OH-CD1 3.47Å; Y132-M176 WeakPolarHBondContact CD2-O 3.21Å; Y132-N270 WeakPolarHBondContact CE2-ND2 3.42Å
133L98.6Very high95.6Very high0 Ų043.8 Ų43.80%025%0.252CS..EExtended strand (participates in β ladder)trans-71.5116.2170.9-174.3168.6000107.9V89 P90 V91 F109 F112 W136 Y175 M176V89-L133 HydrophobicContact CB-CD1 3.82Å; V89-L133 HydrophobicContact CB-CG 4.26Å; V89-L133 HydrophobicContact CG1-CD1 4.15Å; V89-L133 HydrophobicContact CG2-CD1 3.8Å; V89-L133 HydrophobicContact CG2-CG 4.45Å; P90-L133 WeakPolarHBondContact O-CA 3.12Å; V91-L133 HydrophobicContact CG2-CB 4.26Å; V91-L133 HydrophobicContact CG2-CG 4.49Å; F109-L133 HydrophobicContact CD2-CD1 3.91Å; F109-L133 HydrophobicContact CE2-CD1 3.83Å; F112-L133 HydrophobicContact CD1-CB 4.16Å; F112-L133 HydrophobicContact CD1-CD1 3.97Å; F112-L133 HydrophobicContact CE1-CB 3.67Å; F112-L133 HydrophobicContact CE1-CD1 4.08Å; F112-L133 HydrophobicContact CE2-CB 4.23Å; F112-L133 HydrophobicContact CZ-CB 3.7Å; L133-W136 HydrophobicContact CD1-CE3 4.25Å; L133-W136 HydrophobicContact CD2-CB 3.45Å; L133-W136 VanDerWaalsContact CD2-CB 3.45Å; L133-W136 HydrophobicContact CD2-CD2 4.3Å; L133-W136 HydrophobicContact CD2-CE3 3.97Å; L133-W136 HydrophobicContact CD2-CG 4.15Å; L133-Y175 CarbonylContact O-C 3.59Å; L133-Y175 VanDerWaalsContact O-CA 3.3Å; L133-Y175 WeakPolarHBondContact O-CA 3.24Å; L133-M176 HydrophobicContact CB-CG 3.78Å; L133-M176 WeakPolarHBondContact CB-O 3.25Å; L133-M176 HydrophobicContact CD1-CE 4.48Å; L133-M176 HydrophobicContact CD1-CG 3.81Å; L133-M176 HydrophobicContact CD1-SD 4.03Å; L133-M176 HydrophobicContact CD2-CG 4.11Å; L133-M176 HydrophobicContact CG-CG 4.12Å; L133-M176 PolarHBondContact N-O 3.32Å; L133-M176 PolarHBondContact O-N 3.42Å
134K95.3Very high95.5Very high17 Ų1746.5 Ų46.57%0.07425%0.249CC..EExtended strand (participates in β ladder)trans-143.1152.2-176.769.8175.9-160.4177.80111P90 A92 N102 K104 Y132 W136 Y175P90-K134 VanDerWaalsContact CG-O 3.25Å; P90-K134 WeakPolarHBondContact CG-O 3.19Å; P90-K134 PolarHBondContact O-N 2.79Å; A92-K134 HydrophobicContact CB-CD 3.71Å; A92-K134 HydrophobicContact CB-CG 3.83Å; N102-K134 PolarHBondContact OD1-NZ 2.62Å; N102-K134 VanDerWaalsContact OD1-NZ 3.14Å; K104-K134 HydrophobicContact CD-CG 4.21Å; Y132-K134 HydrophobicContact CD1-CB 4.2Å; Y132-K134 HydrophobicContact CD1-CD 4.17Å; Y132-K134 HydrophobicContact CE1-CB 4.24Å; Y132-K134 PolarHBondContact O-N 2.7Å; K134-W136 VanDerWaalsContact C-N 3.29Å; K134-W136 PolarHBondContact O-N 2.86Å; K134-Y175 HydrophobicContact CB-CD1 3.35Å; K134-Y175 HydrophobicContact CB-CE1 3.45Å; K134-Y175 VanDerWaalsContact CB-CE1 3.45Å; K134-Y175 HydrophobicContact CB-CG 4.36Å
135D95.4Very high95.2Very high35 Ų3544.7 Ų44.719%0.18724%0.241CC..EExtended strand (participates in β ladder)trans62.133.4-178.3-42.8-41.8000113K104 H137 F173 Y175K104-D135 IonicContact NZ-OD2 3.79Å; K104-D135 PolarHBondContact NZ-OD2 2.94Å; D135-H137 PolarHBondContact O-CD2 2.81Å; D135-H137 VanDerWaalsContact O-CD2 3.27Å; D135-H137 PolarHBondContact O-N 2.83Å; D135-F173 HydrophobicContact CB-CD1 4.21Å; D135-F173 HydrophobicContact CB-CE1 4.34Å; D135-Y175 PolarHBondContact OD1-OH 2.78Å
136W97.6Very high95Very high3 Ų347 Ų471%0.01125%0.247CC..EExtended strand (participates in β ladder)trans-86.2113.4177.8-179.432.8000111.4F84 T87 V89 P90 F109 L133 K134 M138 F142 F173 V174 M176F84-W136 HydrophobicContact CB-CH2 4.2Å; F84-W136 AromaticContact CD1-CH2 3.57Å; F84-W136 HydrophobicContact CD1-CH2 3.57Å; F84-W136 AromaticContact CD1-CZ2 3.93Å; F84-W136 HydrophobicContact CD1-CZ2 3.93Å; F84-W136 AromaticContact CD2-CH2 3.79Å; F84-W136 HydrophobicContact CD2-CH2 3.79Å; F84-W136 HydrophobicContact CD2-CZ3 4.44Å; F84-W136 AromaticContact CE1-CH2 3.74Å; F84-W136 HydrophobicContact CE1-CH2 3.74Å; F84-W136 HydrophobicContact CE1-CZ2 4.21Å; F84-W136 AromaticContact CE2-CH2 3.96Å; F84-W136 HydrophobicContact CE2-CH2 3.96Å; F84-W136 HydrophobicContact CE2-CZ3 4.46Å; F84-W136 AromaticContact CG-CH2 3.59Å; F84-W136 HydrophobicContact CG-CH2 3.59Å; F84-W136 HydrophobicContact CG-CZ2 4.25Å; F84-W136 AromaticContact CZ-CH2 3.92Å; F84-W136 HydrophobicContact CZ-CH2 3.92Å; T87-W136 HydrophobicContact CG2-CZ2 4.07Å; V89-W136 HydrophobicContact CG1-CD2 3.92Å; V89-W136 HydrophobicContact CG1-CE3 4.49Å; V89-W136 HydrophobicContact CG1-CG 4.23Å; V89-W136 HydrophobicContact CG1-CZ2 4.05Å; P90-W136 HydrophobicContact CG-CB 3.96Å; F109-W136 HydrophobicContact CE2-CH2 4.48Å; F109-W136 HydrophobicContact CE2-CZ3 4.19Å; L133-W136 HydrophobicContact CD1-CE3 4.25Å; L133-W136 HydrophobicContact CD2-CB 3.45Å; L133-W136 VanDerWaalsContact CD2-CB 3.45Å; L133-W136 HydrophobicContact CD2-CD2 4.3Å; L133-W136 HydrophobicContact CD2-CE3 3.97Å; L133-W136 HydrophobicContact CD2-CG 4.15Å; K134-W136 VanDerWaalsContact C-N 3.29Å; K134-W136 PolarHBondContact O-N 2.86Å; W136-M138 HydrophobicContact CD2-CB 3.86Å; W136-M138 HydrophobicContact CD2-CG 4.42Å; W136-M138 HydrophobicContact CE3-CB 4.04Å; W136-M138 HydrophobicContact CE3-CG 4.36Å; W136-M138 HydrophobicContact CG-CB 4.42Å; W136-M138 HydrophobicContact CH2-CB 4.1Å; W136-M138 HydrophobicContact CH2-CG 3.58Å; W136-M138 HydrophobicContact CZ2-CB 3.91Å; W136-M138 HydrophobicContact CZ2-CG 3.63Å; W136-M138 HydrophobicContact CZ3-CB 4.16Å; W136-M138 HydrophobicContact CZ3-CG 3.96Å; W136-M138 PolarHBondContact O-N 2.84Å; W136-F142 HydrophobicContact CZ2-CD2 4.32Å; W136-F142 HydrophobicContact CZ2-CE2 4.09Å; W136-F173 WeakPolarHBondContact O-CA 3.3Å; W136-V174 HydrophobicContact CE3-CB 3.79Å; W136-V174 HydrophobicContact CE3-CG1 3.87Å; W136-V174 HydrophobicContact CE3-CG2 4.48Å; W136-V174 HydrophobicContact CZ3-CB 4.41Å; W136-V174 HydrophobicContact CZ3-CG1 4.2Å; W136-V174 PolarHBondContact N-O 2.63Å; W136-V174 PolarHBondContact O-N 3.13Å; W136-M176 HydrophobicContact CE3-CE 4.19Å; W136-M176 HydrophobicContact CZ3-CE 3.85Å
137H96.9Very high95Very high37 Ų3746.1 Ų46.117%0.17124%0.241CC..  trans-74.649.9179.8-62.1-98.9000113.1D135 S139 R140 D141 D169 D170 F173D135-H137 PolarHBondContact O-CD2 2.81Å; D135-H137 VanDerWaalsContact O-CD2 3.27Å; D135-H137 PolarHBondContact O-N 2.83Å; H137-S139 VanDerWaalsContact C-N 3.26Å; H137-S139 PolarHBondContact O-N 3.47Å; H137-R140 HydrophobicContact CB-CB 4.28Å; H137-R140 PolarHBondContact O-N 3.09Å; H137-D141 VanDerWaalsContact O-CG 3.29Å; H137-D141 PolarHBondContact O-N 2.86Å; H137-D169 IonicContact CE1-OD1 2.67Å; H137-D169 PolarHBondContact CE1-OD1 3.45Å; H137-D169 IonicContact ND1-OD1 2.59Å; H137-D169 PolarHBondContact ND1-OD1 3.18Å; H137-D170 WeakPolarHBondContact CB-OD1 3.17Å; H137-D170 PolarHBondContact CE1-O 3.11Å; H137-D170 IonicContact CE1-OD1 2.8Å; H137-D170 IonicContact CG-OD1 2.93Å; H137-D170 PolarHBondContact ND1-O 2.99Å; H137-D170 VanDerWaalsContact ND1-O 3.09Å; H137-D170 IonicContact ND1-OD1 2.92Å; H137-D170 PolarHBondContact ND1-OD1 3.23Å; H137-F173 AromaticContact CE1-CE1 3.38Å; H137-F173 WeakPolarHBondContact CE1-CE1 3.39Å; H137-F173 AromaticContact ND1-CE1 3.82Å; H137-F173 AromaticContact NE2-CE1 3.6Å
138M95.8Very high95.1Very high3 Ų341.1 Ų41.12%0.01520%0.204CC..Hα-helixtrans-60.2-36.1-175.1-172.3-77.5-54.400112.2W68 F84 W136 D141 F142 H145 V147 V174W68-M138 HydrophobicContact CH2-CE 4.01Å; W68-M138 HydrophobicContact CZ2-CE 4.32Å; F84-M138 HydrophobicContact CE1-CG 3.99Å; F84-M138 HydrophobicContact CE1-SD 4.24Å; F84-M138 HydrophobicContact CZ-CG 4.07Å; F84-M138 HydrophobicContact CZ-SD 4.16Å; W136-M138 HydrophobicContact CD2-CB 3.86Å; W136-M138 HydrophobicContact CD2-CG 4.42Å; W136-M138 HydrophobicContact CE3-CB 4.04Å; W136-M138 HydrophobicContact CE3-CG 4.36Å; W136-M138 HydrophobicContact CG-CB 4.42Å; W136-M138 HydrophobicContact CH2-CB 4.1Å; W136-M138 HydrophobicContact CH2-CG 3.58Å; W136-M138 HydrophobicContact CZ2-CB 3.91Å; W136-M138 HydrophobicContact CZ2-CG 3.63Å; W136-M138 HydrophobicContact CZ3-CB 4.16Å; W136-M138 HydrophobicContact CZ3-CG 3.96Å; W136-M138 PolarHBondContact O-N 2.84Å; M138-D141 PolarHBondContact O-N 3.31Å; M138-F142 HydrophobicContact CG-CD2 4.17Å; M138-F142 WeakPolarHBondContact O-CA 3.3Å; M138-F142 WeakPolarHBondContact O-CB 3.46Å; M138-F142 PolarHBondContact O-N 3.03Å; M138-F142 HydrophobicContact SD-CB 4.04Å; M138-H145 HydrophobicContact SD-CB 4.26Å; M138-V147 HydrophobicContact CE-CB 4.41Å; M138-V147 HydrophobicContact CE-CG1 4Å; M138-V147 HydrophobicContact CE-CG2 3.49Å; M138-V147 VanDerWaalsContact CE-CG2 3.49Å; M138-V174 HydrophobicContact CB-CB 4.4Å; M138-V174 HydrophobicContact CB-CG2 3.74Å; M138-V174 HydrophobicContact CE-CG2 4.01Å; M138-V174 HydrophobicContact CG-CG2 4.36Å
139S93.1Very high95.1Very high24 Ų2440.3 Ų40.317%0.16821%0.21CC..Hα-helixtrans-67.3-36.9-178.9-53.40000112.4H137 P143 Y148H137-S139 VanDerWaalsContact C-N 3.26Å; H137-S139 PolarHBondContact O-N 3.47Å; S139-P143 VanDerWaalsContact O-CA 3.25Å; S139-P143 WeakPolarHBondContact O-CA 3.15Å; S139-P143 WeakPolarHBondContact O-CB 3.33Å; S139-Y148 PolarHBondContact OG-OH 3.46Å
140R93.8Very high95Very high99 Ų9941.6 Ų41.637%0.37422%0.216SC..Hα-helixtrans-69.3-45.6172.4-175.8-165.970-162.2-0.6112H137 P143 D169 D170H137-R140 HydrophobicContact CB-CB 4.28Å; H137-R140 PolarHBondContact O-N 3.09Å; R140-P143 WeakPolarHBondContact O-CD 3.49Å; R140-D169 IonicContact CZ-OD1 3.64Å; R140-D169 IonicContact NH1-OD1 3.84Å; R140-D169 PolarHBondContact NH1-OD1 2.88Å; R140-D170 HydrophobicContact CB-CB 4.44Å; R140-D170 PolarHBondContact N-OD2 2.98Å
141D93.6Very high94.9Very high66 Ų6642.1 Ų42.135%0.35322%0.219SC..Hα-helixtrans-77.7-27.6-173.4-61.9-14.8000112.6H137 M138H137-D141 VanDerWaalsContact O-CG 3.29Å; H137-D141 PolarHBondContact O-N 2.86Å; M138-D141 PolarHBondContact O-N 3.31Å
142F94.3Very high94.7Very high43 Ų4344.3 Ų44.319%0.18923%0.232CC..  trans-138.657.1-175.8-55.9-83.4000112.8F84 T87 W136 M138 E144 H145F84-F142 HydrophobicContact CD1-CE2 4.5Å; F84-F142 HydrophobicContact CE1-CD2 4.3Å; F84-F142 HydrophobicContact CE1-CG 4.37Å; T87-F142 HydrophobicContact CG2-CE2 3.6Å; T87-F142 HydrophobicContact CG2-CZ 3.59Å; T87-F142 WeakPolarHBondContact OG1-CZ 3.33Å; W136-F142 HydrophobicContact CZ2-CD2 4.32Å; W136-F142 HydrophobicContact CZ2-CE2 4.09Å; M138-F142 HydrophobicContact CG-CD2 4.17Å; M138-F142 WeakPolarHBondContact O-CA 3.3Å; M138-F142 WeakPolarHBondContact O-CB 3.46Å; M138-F142 PolarHBondContact O-N 3.03Å; M138-F142 HydrophobicContact SD-CB 4.04Å; F142-E144 VanDerWaalsContact C-OE2 3.25Å; F142-E144 PolarHBondContact O-N 3.04Å; F142-E144 VanDerWaalsContact O-N 3.14Å; F142-H145 WeakPolarHBondContact O-CB 3.31Å; F142-H145 PolarHBondContact O-N 3.05Å
143P91.4Very high94.6Very high78 Ų7844.6 Ų44.651%0.50623%0.234SC..G310 helixtrans-60.5-27.6-174.225.1-34.9000113.5S139 R140 H145 N146S139-P143 VanDerWaalsContact O-CA 3.25Å; S139-P143 WeakPolarHBondContact O-CA 3.15Å; S139-P143 WeakPolarHBondContact O-CB 3.33Å; R140-P143 WeakPolarHBondContact O-CD 3.49Å; P143-H145 PolarHBondContact O-N 3.35Å; P143-N146 PolarHBondContact O-N 3.2Å; P143-N146 PolarHBondContact O-ND2 2.86Å; P143-N146 PolarHBondContact O-OD1 3.06Å
144E92.5Very high94.5Very high116 Ų11644.6 Ų44.654%0.54223%0.234SC..G310 helixtrans-65.5-2117873.7-72.4172.900113.5F142 N146F142-E144 VanDerWaalsContact C-OE2 3.25Å; F142-E144 PolarHBondContact O-N 3.04Å; F142-E144 VanDerWaalsContact O-N 3.14Å; E144-N146 VanDerWaalsContact C-N 3.27Å; E144-N146 PolarHBondContact O-N 2.9Å; E144-N146 PolarHBondContact O-ND2 3.15Å
145H91.8Very high94.5Very high29 Ų2944.9 Ų44.913%0.13424%0.238CC..G310 helixtrans-65.4-30.9-179.4-85.1-119.7000112.6K63 F84 M138 F142 P143 V147K63-H145 WeakPolarHBondContact CD-O 3.35Å; K63-H145 PolarHBondContact NZ-O 3.46Å; F84-H145 AromaticContact CE1-CE1 3.55Å; F84-H145 AromaticContact CE1-ND1 3.73Å; F84-H145 AromaticContact CZ-CE1 3.81Å; F84-H145 AromaticContact CZ-ND1 3.63Å; M138-H145 HydrophobicContact SD-CB 4.26Å; F142-H145 WeakPolarHBondContact O-CB 3.31Å; F142-H145 PolarHBondContact O-N 3.05Å; P143-H145 PolarHBondContact O-N 3.35Å; H145-V147 VanDerWaalsContact C-N 3.34Å; H145-V147 HydrophobicContact CB-CG1 3.65Å; H145-V147 PolarHBondContact O-N 3.03Å
146N91Very high94.5Very high122 Ų12243.4 Ų43.465%0.65223%0.23SC*.  trans42.956.3175.4-68.7-69.9000112.5P143 E144 Y148P143-N146 PolarHBondContact O-N 3.2Å; P143-N146 PolarHBondContact O-ND2 2.86Å; P143-N146 PolarHBondContact O-OD1 3.06Å; E144-N146 VanDerWaalsContact C-N 3.27Å; E144-N146 PolarHBondContact O-N 2.9Å; E144-N146 PolarHBondContact O-ND2 3.15Å; N146-Y148 VanDerWaalsContact C-N 3.33Å; N146-Y148 PolarHBondContact O-N 3.46Å
147V95.3Very high94.5Very high4 Ų443.9 Ų43.92%0.02423%0.233CC..  trans-80.8-13.8-165.9-50.40000114.1K63 C64 W68 M138 H145 I277K63-V147 PolarHBondContact N-O 3.39Å; C64-V147 HydrophobicContact CB-CB 4.06Å; C64-V147 HydrophobicContact CB-CG2 4.25Å; C64-V147 PolarHBondContact N-O 2.83Å; C64-V147 PolarHBondContact SG-O 2.92Å; W68-V147 HydrophobicContact CH2-CB 4.22Å; W68-V147 HydrophobicContact CH2-CG1 4.29Å; W68-V147 HydrophobicContact CH2-CG2 3.64Å; W68-V147 HydrophobicContact CZ2-CB 4.01Å; W68-V147 HydrophobicContact CZ2-CG1 3.7Å; W68-V147 HydrophobicContact CZ2-CG2 3.93Å; W68-V147 HydrophobicContact CZ3-CG2 4.3Å; M138-V147 HydrophobicContact CE-CB 4.41Å; M138-V147 HydrophobicContact CE-CG1 4Å; M138-V147 HydrophobicContact CE-CG2 3.49Å; M138-V147 VanDerWaalsContact CE-CG2 3.49Å; H145-V147 VanDerWaalsContact C-N 3.34Å; H145-V147 HydrophobicContact CB-CG1 3.65Å; H145-V147 PolarHBondContact O-N 3.03Å; V147-I277 HydrophobicContact CG2-CD1 4.09Å
148Y96.5Very high94.5Very high33 Ų3342.1 Ų42.113%0.12923%0.225CC..  trans-153.1172.7176.668.4-78.3000110.2W62 S139 N146 W195 I277 H279W62-Y148 VanDerWaalsContact CD2-CB 3.46Å; W62-Y148 VanDerWaalsContact CE3-CB 3.47Å; W62-Y148 HydrophobicContact CE3-CG 4.42Å; W62-Y148 HydrophobicContact CH2-CD2 4.3Å; W62-Y148 HydrophobicContact CZ2-CD2 4.45Å; W62-Y148 HydrophobicContact CZ3-CG 4.36Å; S139-Y148 PolarHBondContact OG-OH 3.46Å; N146-Y148 VanDerWaalsContact C-N 3.33Å; N146-Y148 PolarHBondContact O-N 3.46Å; Y148-W195 HydrophobicContact CD2-CH2 4.07Å; Y148-W195 AromaticContact CE2-CH2 3.97Å; Y148-W195 HydrophobicContact CE2-CH2 3.97Å; Y148-W195 HydrophobicContact CE2-CZ2 4.2Å; Y148-I277 HydrophobicContact CD1-CD1 3.5Å; Y148-I277 VanDerWaalsContact CD1-CD1 3.5Å; Y148-I277 HydrophobicContact CD1-CG2 4.03Å; Y148-I277 HydrophobicContact CD2-CG2 4.47Å; Y148-I277 HydrophobicContact CE1-CD1 4.22Å; Y148-I277 HydrophobicContact CE1-CG2 3.84Å; Y148-I277 HydrophobicContact CE2-CG2 4.35Å; Y148-I277 HydrophobicContact CG-CD1 3.88Å; Y148-I277 HydrophobicContact CG-CG2 4.37Å; Y148-H279 AromaticContact CE2-CE1 3.65Å; Y148-H279 AromaticContact CE2-NE2 3.36Å; Y148-H279 WeakPolarHBondContact CE2-NE2 3.37Å; Y148-H279 AromaticContact CZ-CE1 3.75Å; Y148-H279 AromaticContact CZ-NE2 3.19Å; Y148-H279 PolarHBondContact OH-CE1 3Å; Y148-H279 PolarHBondContact OH-NE2 2.81Å
149T93.6Very high94.5Very high110 Ų11042.1 Ų42.168%0.67523%0.225SC*.  trans-124.2132.3169.5-56.30000108.3W62 P151W62-T149 WeakPolarHBondContact CZ2-O 3.17Å; W62-T149 PolarHBondContact NE1-O 3.24Å; T149-P151 VanDerWaalsContact O-CD 3.31Å; T149-P151 WeakPolarHBondContact O-CD 3.42Å
150T94.8Very high94.7Very high39 Ų3941 Ų4124%0.23922%0.217CC..  trans-65.1122.8178.3-56.90000110.2F154 W195T150-F154 HydrophobicContact CG2-CB 4.02Å; T150-W195 HydrophobicContact CG2-CZ2 4.39Å
151P94.7Very high94.8Very high16 Ų1637 Ų3710%0.10420%0.202CC..  trans-58.2143173-2534.2000111.9W62 T149 F153 F154 I257W62-P151 HydrophobicContact CZ2-CG 4.15Å; T149-P151 VanDerWaalsContact O-CD 3.31Å; T149-P151 WeakPolarHBondContact O-CD 3.42Å; P151-F153 HydrophobicContact CB-CD2 4.1Å; P151-F153 PolarHBondContact O-N 2.77Å; P151-F154 HydrophobicContact CB-CD2 3.88Å; P151-F154 HydrophobicContact CB-CE2 4.08Å; P151-F154 HydrophobicContact CG-CD2 3.93Å; P151-F154 HydrophobicContact CG-CE2 4Å; P151-F154 PolarHBondContact O-N 3.13Å; P151-I257 HydrophobicContact CG-CD1 4.03Å
152V94.4Very high94.9Very high52 Ų5234.1 Ų34.132%0.31519%0.187SC..G310 helixtrans-54.5-25.3-178.5690000113.9Y38 F154 S155 T370 L371Y38-V152 HydrophobicContact CD2-CG2 4.38Å; Y38-V152 VanDerWaalsContact CD2-O 3.32Å; Y38-V152 WeakPolarHBondContact CD2-O 3.42Å; Y38-V152 WeakPolarHBondContact CE2-O 3.36Å; V152-F154 PolarHBondContact O-N 3.38Å; V152-S155 PolarHBondContact O-N 3.24Å; V152-S155 PolarHBondContact O-OG 3.01Å; V152-T370 HydrophobicContact CG2-CG2 3.59Å; V152-L371 HydrophobicContact CG2-CD2 4.48Å
153F96.4Very high94.9Very high11 Ų1133.2 Ų33.25%0.04818%0.182CC..G310 helixtrans-62.5-25176.8-54.6-62.5000113.5L36 F41 F54 F58 P151L36-F153 HydrophobicContact CB-CE1 4.29Å; L36-F153 HydrophobicContact CB-CZ 4.31Å; L36-F153 WeakPolarHBondContact O-CE1 3.45Å; L36-F153 WeakPolarHBondContact O-CZ 3.25Å; F41-F153 HydrophobicContact CB-CD1 3.58Å; F41-F153 HydrophobicContact CB-CE1 4.02Å; F41-F153 HydrophobicContact CD1-CB 3.66Å; F41-F153 AromaticContact CD1-CD1 3.83Å; F41-F153 HydrophobicContact CD1-CD1 3.83Å; F41-F153 HydrophobicContact CD1-CG 4.15Å; F41-F153 HydrophobicContact CD2-CD1 4.23Å; F41-F153 HydrophobicContact CE1-CB 3.65Å; F41-F153 WeakPolarHBondContact CE1-O 3.15Å; F41-F153 HydrophobicContact CG-CB 4.12Å; F41-F153 AromaticContact CG-CD1 3.6Å; F41-F153 HydrophobicContact CG-CD1 3.6Å; F41-F153 HydrophobicContact CG-CE1 4.43Å; F41-F153 HydrophobicContact CG-CG 4.14Å; F41-F153 HydrophobicContact CZ-CB 4.15Å; F54-F153 HydrophobicContact CD1-CD2 4.38Å; F54-F153 HydrophobicContact CD1-CE2 4.48Å; F54-F153 AromaticContact CE1-CD2 3.49Å; F54-F153 HydrophobicContact CE1-CD2 3.49Å; F54-F153 VanDerWaalsContact CE1-CD2 3.49Å; F54-F153 AromaticContact CE1-CE2 3.8Å; F54-F153 HydrophobicContact CE1-CE2 3.8Å; F54-F153 AromaticContact CE1-CG 3.99Å; F54-F153 HydrophobicContact CE1-CG 3.99Å; F54-F153 HydrophobicContact CE1-CZ 4.5Å; F54-F153 HydrophobicContact CZ-CB 4.29Å; F54-F153 HydrophobicContact CZ-CD2 4.07Å; F54-F153 HydrophobicContact CZ-CG 4.16Å; F58-F153 HydrophobicContact CD1-CE2 4.08Å; F58-F153 AromaticContact CE1-CE2 3.57Å; F58-F153 HydrophobicContact CE1-CE2 3.57Å; F58-F153 HydrophobicContact CE1-CZ 4.24Å; F58-F153 HydrophobicContact CZ-CE2 4.32Å; P151-F153 HydrophobicContact CB-CD2 4.1Å; P151-F153 PolarHBondContact O-N 2.77Å
154F96.4Very high95Very high0 Ų033 Ų330%018%0.177CC..G310 helixtrans-115.310.1-175-44.3-51.9000112.2F41 F54 T150 P151 V152 W195 I257 F259 W281F41-F154 HydrophobicContact CE1-CD1 4.49Å; F41-F154 HydrophobicContact CE1-CE1 4.36Å; F41-F154 HydrophobicContact CZ-CD1 4.43Å; F41-F154 AromaticContact CZ-CE1 3.89Å; F41-F154 HydrophobicContact CZ-CE1 3.89Å; F54-F154 HydrophobicContact CD2-CZ 4.09Å; F54-F154 HydrophobicContact CE2-CE1 4.06Å; F54-F154 AromaticContact CE2-CZ 3.52Å; F54-F154 HydrophobicContact CE2-CZ 3.52Å; F54-F154 HydrophobicContact CZ-CE1 4.2Å; F54-F154 AromaticContact CZ-CZ 3.79Å; F54-F154 HydrophobicContact CZ-CZ 3.79Å; T150-F154 HydrophobicContact CG2-CB 4.02Å; P151-F154 HydrophobicContact CB-CD2 3.88Å; P151-F154 HydrophobicContact CB-CE2 4.08Å; P151-F154 HydrophobicContact CG-CD2 3.93Å; P151-F154 HydrophobicContact CG-CE2 4Å; P151-F154 PolarHBondContact O-N 3.13Å; V152-F154 PolarHBondContact O-N 3.38Å; F154-W195 AromaticContact CD1-CD1 3.72Å; F154-W195 HydrophobicContact CD1-CG 4.38Å; F154-W195 HydrophobicContact CD2-CB 4.38Å; F154-W195 AromaticContact CD2-CD1 3.27Å; F154-W195 HydrophobicContact CD2-CD2 4.06Å; F154-W195 AromaticContact CD2-CE2 3.97Å; F154-W195 AromaticContact CD2-CG 3.73Å; F154-W195 HydrophobicContact CD2-CG 3.73Å; F154-W195 AromaticContact CD2-NE1 3.55Å; F154-W195 HydrophobicContact CE1-CB 4.27Å; F154-W195 HydrophobicContact CE2-CB 4.14Å; F154-W195 AromaticContact CE2-CD1 3.9Å; F154-W195 HydrophobicContact CE2-CD2 4.29Å; F154-W195 AromaticContact CE2-CG 3.91Å; F154-W195 HydrophobicContact CE2-CG 3.91Å; F154-W195 AromaticContact CG-CD1 3.17Å; F154-W195 AromaticContact CG-CG 3.99Å; F154-W195 HydrophobicContact CG-CG 3.99Å; F154-W195 AromaticContact CG-NE1 3.61Å; F154-W195 HydrophobicContact CZ-CB 4.07Å; F154-W195 HydrophobicContact CZ-CG 4.3Å; F154-I257 HydrophobicContact CE2-CD1 4.42Å; F154-I257 HydrophobicContact CE2-CG2 4.07Å; F154-I257 HydrophobicContact CZ-CG2 4.24Å; F154-F259 HydrophobicContact CE1-CB 4.36Å; F154-F259 HydrophobicContact CE1-CD2 4.21Å; F154-W281 HydrophobicContact CB-CZ2 4.22Å; F154-W281 AromaticContact CD1-CH2 3.72Å; F154-W281 HydrophobicContact CD1-CH2 3.72Å; F154-W281 AromaticContact CD1-CZ2 3.47Å; F154-W281 HydrophobicContact CD1-CZ2 3.47Å; F154-W281 VanDerWaalsContact CD1-CZ2 3.47Å; F154-W281 HydrophobicContact CE1-CH2 4.2Å; F154-W281 HydrophobicContact CE1-CZ2 4.2Å; F154-W281 HydrophobicContact CG-CH2 4.26Å; F154-W281 HydrophobicContact CG-CZ2 4.17Å
155S94.8Very high95Very high23 Ų2330.9 Ų30.916%0.16117%0.172CC..  trans-84.8-14.4-17370.10000114V152 D157 T367V152-S155 PolarHBondContact O-N 3.24Å; V152-S155 PolarHBondContact O-OG 3.01Å; S155-D157 PolarHBondContact O-N 2.78Å; S155-T367 WeakPolarHBondContact O-CG2 3.33Å
156S96.1Very high95Very high3 Ų332.9 Ų32.92%0.02118%0.183CC..  trans-78.276.8165.9-170.60000108.2N283 H375S156-N283 WeakPolarHBondContact O-CB 3.49Å; S156-N283 PolarHBondContact O-ND2 2.93Å; S156-N283 WeakPolarHBondContact OG-CB 3.33Å; S156-H375 PolarHBondContact OG-CE1 3.44Å
157D96.7Very high95Very high14 Ų1435.5 Ų35.58%0.07519%0.191CC..  trans-117.882.7-170.6-178.4-9.5000109.8S155 L159 N160 E161 W281S155-D157 PolarHBondContact O-N 2.78Å; D157-L159 VanDerWaalsContact C-N 3.25Å; D157-L159 PolarHBondContact O-N 3.1Å; D157-L159 PolarHBondContact OD1-N 3.27Å; D157-N160 VanDerWaalsContact CG-ND2 3.28Å; D157-N160 WeakPolarHBondContact OD1-CB 3.41Å; D157-N160 PolarHBondContact OD1-N 2.72Å; D157-N160 PolarHBondContact OD1-ND2 3.06Å; D157-N160 VanDerWaalsContact OD1-ND2 3.1Å; D157-N160 WeakPolarHBondContact OD2-CB 3.16Å; D157-N160 PolarHBondContact OD2-ND2 2.68Å; D157-E161 VanDerWaalsContact O-CB 3.24Å; D157-E161 WeakPolarHBondContact O-CB 3.48Å; D157-E161 PolarHBondContact O-N 2.74Å; D157-W281 HydrophobicContact CB-CB 3.88Å; D157-W281 HydrophobicContact CB-CG 4.36Å; D157-W281 WeakPolarHBondContact OD1-CB 3.29Å
158W97.8Very high94.7Very high0 Ų039.9 Ų39.90%022%0.218CC..Hα-helixtrans-67.2-31.5-177.3-63.39000111.7E161 Y162 L282 N283 G284 V287 F337 I341 D379 R382 V383W158-E161 PolarHBondContact O-N 2.71Å; W158-Y162 WeakPolarHBondContact O-CB 3.29Å; W158-Y162 PolarHBondContact O-N 3.09Å; W158-L282 HydrophobicContact CB-CD1 4.1Å; W158-L282 HydrophobicContact CB-CG 4.5Å; W158-L282 VanDerWaalsContact CB-O 3.28Å; W158-L282 WeakPolarHBondContact CB-O 3.44Å; W158-L282 HydrophobicContact CD2-CD1 4.47Å; W158-L282 HydrophobicContact CE3-CD1 3.93Å; W158-L282 PolarHBondContact N-O 3.25Å; W158-N283 HydrophobicContact CD2-CB 4.38Å; W158-N283 HydrophobicContact CG-CB 4.33Å; W158-G284 VanDerWaalsContact CH2-CA 3.44Å; W158-V287 HydrophobicContact CE3-CB 4.43Å; W158-V287 HydrophobicContact CE3-CG2 4.44Å; W158-V287 HydrophobicContact CH2-CG1 4.38Å; W158-V287 HydrophobicContact CZ3-CB 3.89Å; W158-V287 HydrophobicContact CZ3-CG1 4Å; W158-V287 HydrophobicContact CZ3-CG2 3.97Å; W158-F337 HydrophobicContact CB-CE1 4.5Å; W158-F337 HydrophobicContact CB-CE2 4.2Å; W158-F337 HydrophobicContact CB-CZ 3.57Å; W158-F337 HydrophobicContact CE3-CE1 4.04Å; W158-F337 HydrophobicContact CE3-CZ 4.19Å; W158-F337 VanDerWaalsContact O-CE2 3.29Å; W158-F337 WeakPolarHBondContact O-CE2 3.25Å; W158-I341 HydrophobicContact CB-CD1 3.58Å; W158-I341 HydrophobicContact CB-CG1 3.96Å; W158-I341 HydrophobicContact CD2-CB 4.49Å; W158-I341 HydrophobicContact CD2-CD1 4.43Å; W158-I341 HydrophobicContact CD2-CG1 4.14Å; W158-I341 HydrophobicContact CD2-CG2 3.54Å; W158-I341 HydrophobicContact CE3-CB 4.5Å; W158-I341 HydrophobicContact CE3-CG1 4.18Å; W158-I341 HydrophobicContact CE3-CG2 3.74Å; W158-I341 HydrophobicContact CG-CD1 3.88Å; W158-I341 HydrophobicContact CG-CG1 4.09Å; W158-I341 HydrophobicContact CG-CG2 4.06Å; W158-I341 HydrophobicContact CH2-CG2 4.11Å; W158-I341 HydrophobicContact CZ2-CG2 3.97Å; W158-I341 HydrophobicContact CZ3-CG2 4.01Å; W158-D379 HydrophobicContact CH2-CB 4.42Å; W158-D379 HydrophobicContact CZ2-CB 3.54Å; W158-D379 VanDerWaalsContact CZ2-CG 3.42Å; W158-D379 WeakPolarHBondContact CZ2-OD1 3.35Å; W158-D379 PolarHBondContact NE1-OD2 3.31Å; W158-R382 HydrophobicContact CH2-CB 4.26Å; W158-V383 HydrophobicContact CH2-CG2 3.69Å; W158-V383 HydrophobicContact CZ3-CG2 3.86Å
159L96.4Very high94.5Very high2 Ų240.5 Ų40.51%0.0122%0.223CC..Hα-helixtrans-64.5-53.1-177.4-174.156.8000110.1D157 Y162 W163 Y171 F190 N280 L282D157-L159 VanDerWaalsContact C-N 3.25Å; D157-L159 PolarHBondContact O-N 3.1Å; D157-L159 PolarHBondContact OD1-N 3.27Å; L159-Y162 WeakPolarHBondContact O-CB 3.35Å; L159-Y162 PolarHBondContact O-N 2.97Å; L159-W163 PolarHBondContact O-N 2.64Å; L159-Y171 HydrophobicContact CD1-CD2 4.14Å; L159-Y171 HydrophobicContact CD1-CE2 4.17Å; L159-Y171 HydrophobicContact CD2-CD1 3.82Å; L159-Y171 HydrophobicContact CD2-CD2 3.73Å; L159-Y171 HydrophobicContact CD2-CE1 4.28Å; L159-Y171 HydrophobicContact CD2-CE2 4.25Å; L159-Y171 HydrophobicContact CD2-CG 3.49Å; L159-Y171 VanDerWaalsContact CD2-CG 3.49Å; L159-Y171 HydrophobicContact CG-CD2 3.7Å; L159-Y171 HydrophobicContact CG-CE2 4.23Å; L159-Y171 HydrophobicContact CG-CG 3.96Å; L159-F190 HydrophobicContact CD1-CD2 4.11Å; L159-F190 HydrophobicContact CD1-CE2 4.08Å; L159-F190 HydrophobicContact CD2-CD2 4.22Å; L159-N280 HydrophobicContact CD2-CB 4.43Å; L159-L282 HydrophobicContact CB-CD2 4.31Å; L159-L282 HydrophobicContact CB-CG 4.33Å; L159-L282 HydrophobicContact CD1-CD2 4.46Å
160N96.1Very high94.6Very high0 Ų035.3 Ų35.30%019%0.191CC..Hα-helixtrans-74.8-28178.9-66.7-73.3000112.8D157 Y162 W163 D164 Y171 R172 N280D157-N160 VanDerWaalsContact CG-ND2 3.28Å; D157-N160 WeakPolarHBondContact OD1-CB 3.41Å; D157-N160 PolarHBondContact OD1-N 2.72Å; D157-N160 PolarHBondContact OD1-ND2 3.06Å; D157-N160 VanDerWaalsContact OD1-ND2 3.1Å; D157-N160 WeakPolarHBondContact OD2-CB 3.16Å; D157-N160 PolarHBondContact OD2-ND2 2.68Å; N160-Y162 VanDerWaalsContact C-N 3.29Å; N160-Y162 PolarHBondContact O-N 2.77Å; N160-W163 PolarHBondContact O-N 3.2Å; N160-D164 WeakPolarHBondContact O-CB 3.43Å; N160-D164 PolarHBondContact O-N 3.32Å; N160-Y171 WeakPolarHBondContact OD1-CA 3.13Å; N160-Y171 PolarHBondContact OD1-N 3.25Å; N160-R172 VanDerWaalsContact CB-CZ 3.44Å; N160-R172 VanDerWaalsContact CB-NH2 3.25Å; N160-N280 PolarHBondContact ND2-O 3.09Å; N160-N280 VanDerWaalsContact ND2-O 3.09Å
161E95.9Very high94.7Very high15 Ų1534.7 Ų34.77%0.0719%0.185CC..Hα-helixtrans-58.7-41.4170.6-178-174.5145.500112.2D157 W158 T165 I341 N344 R345 L364D157-E161 VanDerWaalsContact O-CB 3.24Å; D157-E161 WeakPolarHBondContact O-CB 3.48Å; D157-E161 PolarHBondContact O-N 2.74Å; W158-E161 PolarHBondContact O-N 2.71Å; E161-T165 WeakPolarHBondContact O-CB 3.49Å; E161-T165 PolarHBondContact O-N 2.78Å; E161-T165 VanDerWaalsContact O-N 3.07Å; E161-T165 PolarHBondContact O-OG1 3.37Å; E161-I341 HydrophobicContact CB-CD1 4.23Å; E161-I341 HydrophobicContact CG-CD1 4.16Å; E161-N344 WeakPolarHBondContact OE1-CB 3.31Å; E161-N344 PolarHBondContact OE1-ND2 2.92Å; E161-R345 IonicContact OE1-CZ 3.43Å; E161-R345 IonicContact OE1-NH1 2.62Å; E161-R345 PolarHBondContact OE1-NH1 3.43Å; E161-R345 IonicContact OE1-NH2 3.54Å; E161-R345 IonicContact OE2-CZ 3.93Å; E161-R345 VanDerWaalsContact OE2-CZ 3.28Å; E161-R345 IonicContact OE2-NH1 3.54Å; E161-R345 PolarHBondContact OE2-NH1 2.73Å; E161-R345 IonicContact OE2-NH2 3.5Å; E161-R345 PolarHBondContact OE2-NH2 3.31Å; E161-L364 VanDerWaalsContact CD-CD1 3.49Å; E161-L364 HydrophobicContact CG-CD1 3.85Å; E161-L364 HydrophobicContact CG-CD2 4.21Å
162Y95.9Very high94.9Very high6 Ų635.7 Ų35.72%0.02419%0.187CC..Hα-helixtrans-61.9-50.8174.8171.1-105.2000111.5W158 L159 N160 T165 L166 T336 F337 I340W158-Y162 WeakPolarHBondContact O-CB 3.29Å; W158-Y162 PolarHBondContact O-N 3.09Å; L159-Y162 WeakPolarHBondContact O-CB 3.35Å; L159-Y162 PolarHBondContact O-N 2.97Å; N160-Y162 VanDerWaalsContact C-N 3.29Å; N160-Y162 PolarHBondContact O-N 2.77Å; Y162-T165 WeakPolarHBondContact O-CB 3.31Å; Y162-T165 PolarHBondContact O-N 3.48Å; Y162-L166 HydrophobicContact CD1-CD1 4.32Å; Y162-L166 HydrophobicContact CD2-CD1 4.39Å; Y162-L166 HydrophobicContact CE1-CD1 3.67Å; Y162-L166 HydrophobicContact CE2-CD1 3.77Å; Y162-L166 HydrophobicContact CE2-CG 4.37Å; Y162-L166 WeakPolarHBondContact O-CG 3.24Å; Y162-L166 PolarHBondContact O-N 3.41Å; Y162-L166 VanDerWaalsContact O-N 3.11Å; Y162-L166 WeakPolarHBondContact OH-CD1 3.13Å; Y162-T336 HydrophobicContact CE2-CG2 4.29Å; Y162-F337 VanDerWaalsContact CB-CD2 3.47Å; Y162-F337 HydrophobicContact CD1-CD2 4.03Å; Y162-F337 HydrophobicContact CD2-CB 3.92Å; Y162-F337 AromaticContact CD2-CD2 3.8Å; Y162-F337 HydrophobicContact CD2-CD2 3.8Å; Y162-F337 HydrophobicContact CD2-CG 4.33Å; Y162-F337 HydrophobicContact CE2-CB 3.92Å; Y162-F337 HydrophobicContact CE2-CD2 4.5Å; Y162-F337 HydrophobicContact CG-CB 4.41Å; Y162-F337 AromaticContact CG-CD2 3.51Å; Y162-F337 HydrophobicContact CG-CD2 3.51Å; Y162-F337 HydrophobicContact CG-CE2 4.26Å; Y162-F337 HydrophobicContact CG-CG 4.44Å; Y162-I340 HydrophobicContact CD2-CD1 3.56Å; Y162-I340 HydrophobicContact CE2-CD1 3.77Å
163W94.8Very high95Very high25 Ų2533.9 Ų33.910%0.09518%0.175CC..Hα-helixtrans-70.6-34.8-177.1-64.8113.6000113.8L159 N160 T165 L166 E167 V168 D169 Y171 I329L159-W163 PolarHBondContact O-N 2.64Å; N160-W163 PolarHBondContact O-N 3.2Å; W163-T165 VanDerWaalsContact C-N 3.27Å; W163-T165 PolarHBondContact O-N 2.81Å; W163-L166 HydrophobicContact CE3-CD1 4.38Å; W163-L166 HydrophobicContact CZ3-CD1 4.36Å; W163-L166 PolarHBondContact O-N 2.94Å; W163-E167 PolarHBondContact O-N 2.92Å; W163-V168 HydrophobicContact CE3-CB 4.26Å; W163-V168 HydrophobicContact CZ3-CB 4.35Å; W163-V168 HydrophobicContact CZ3-CG1 4.3Å; W163-D169 WeakPolarHBondContact CB-O 3.46Å; W163-D169 HydrophobicContact CD2-CB 4.09Å; W163-D169 HydrophobicContact CE3-CB 3.87Å; W163-D169 HydrophobicContact CG-CB 4.44Å; W163-D169 HydrophobicContact CZ3-CB 4.37Å; W163-Y171 AromaticContact CD1-CD2 3.46Å; W163-Y171 VanDerWaalsContact CD1-CD2 3.46Å; W163-Y171 AromaticContact CD1-CE2 3.56Å; W163-Y171 AromaticContact CE2-CE2 3.74Å; W163-Y171 HydrophobicContact CG-CD2 4.47Å; W163-Y171 HydrophobicContact CG-CE2 4.48Å; W163-Y171 HydrophobicContact CZ2-CE2 4.26Å; W163-Y171 AromaticContact NE1-CD2 3.49Å; W163-Y171 AromaticContact NE1-CE2 3.08Å; W163-I329 HydrophobicContact CH2-CG2 4.43Å; W163-I329 HydrophobicContact CZ2-CG2 4.2Å
164D93.3Very high95.1Very high73 Ų7333.4 Ų33.439%0.3917%0.172SC..Hα-helixtrans-62.3-37.4171.4-69.7-15.8000110.9N160 L166 E167 R172N160-D164 WeakPolarHBondContact O-CB 3.43Å; N160-D164 PolarHBondContact O-N 3.32Å; D164-L166 VanDerWaalsContact C-N 3.33Å; D164-E167 WeakPolarHBondContact O-CG 3.35Å; D164-E167 PolarHBondContact O-N 2.92Å; D164-R172 IonicContact OD1-CZ 2.7Å; D164-R172 IonicContact OD1-NH1 3.2Å; D164-R172 PolarHBondContact OD1-NH1 3.06Å; D164-R172 IonicContact OD1-NH2 3.9Å; D164-R172 PolarHBondContact OD1-NH2 3.38Å; D164-R172 IonicContact OD2-CZ 2.73Å; D164-R172 IonicContact OD2-NH1 2.77Å; D164-R172 IonicContact OD2-NH2 3.09Å; D164-R172 PolarHBondContact OD2-NH2 3.41Å
165T92.8Very high95.2Very high72 Ų7234.7 Ų34.744%0.44218%0.177SC..Hα-helixtrans-67.6-35.1177.1-59.10000111.8E161 Y162 W163 I340E161-T165 WeakPolarHBondContact O-CB 3.49Å; E161-T165 PolarHBondContact O-N 2.78Å; E161-T165 VanDerWaalsContact O-N 3.07Å; E161-T165 PolarHBondContact O-OG1 3.37Å; Y162-T165 WeakPolarHBondContact O-CB 3.31Å; Y162-T165 PolarHBondContact O-N 3.48Å; W163-T165 VanDerWaalsContact C-N 3.27Å; W163-T165 PolarHBondContact O-N 2.81Å; T165-I340 HydrophobicContact CG2-CD1 4.1Å; T165-I340 HydrophobicContact CG2-CG1 4.4Å; T165-I340 HydrophobicContact CG2-CG2 4.1Å
166L92.1Very high95.4Very high70 Ų7033.6 Ų33.637%0.36617%0.17SC..Hα-helixtrans-83.4-18.8178-63.1-173.2000113.2Y162 W163 D164 V168 I340Y162-L166 HydrophobicContact CD1-CD1 4.32Å; Y162-L166 HydrophobicContact CD2-CD1 4.39Å; Y162-L166 HydrophobicContact CE1-CD1 3.67Å; Y162-L166 HydrophobicContact CE2-CD1 3.77Å; Y162-L166 HydrophobicContact CE2-CG 4.37Å; Y162-L166 WeakPolarHBondContact O-CG 3.24Å; Y162-L166 PolarHBondContact O-N 3.41Å; Y162-L166 VanDerWaalsContact O-N 3.11Å; Y162-L166 WeakPolarHBondContact OH-CD1 3.13Å; W163-L166 HydrophobicContact CE3-CD1 4.38Å; W163-L166 HydrophobicContact CZ3-CD1 4.36Å; W163-L166 PolarHBondContact O-N 2.94Å; D164-L166 VanDerWaalsContact C-N 3.33Å; L166-V168 HydrophobicContact CB-CB 4.38Å; L166-V168 HydrophobicContact CB-CG2 3.99Å; L166-V168 WeakPolarHBondContact O-CG2 3.34Å; L166-V168 PolarHBondContact O-N 3.49Å; L166-I340 HydrophobicContact CD2-CD1 4.14Å
167E91Very high95.5Very high178 Ų17833.5 Ų33.583%0.83217%0.169SC*.THydrogen-bonded Turntrans55.832.8-174.1-56.5-176.5166.100112.8W163 D164W163-E167 PolarHBondContact O-N 2.92Å; D164-E167 WeakPolarHBondContact O-CG 3.35Å; D164-E167 PolarHBondContact O-N 2.92Å
168V89.2Confident95.6Very high96 Ų9632.8 Ų32.858%0.58217%0.165SC*.SBendtrans-105-44.2-176.31760000112.6W163 L166W163-V168 HydrophobicContact CE3-CB 4.26Å; W163-V168 HydrophobicContact CZ3-CB 4.35Å; W163-V168 HydrophobicContact CZ3-CG1 4.3Å; L166-V168 HydrophobicContact CB-CB 4.38Å; L166-V168 HydrophobicContact CB-CG2 3.99Å; L166-V168 WeakPolarHBondContact O-CG2 3.34Å; L166-V168 PolarHBondContact O-N 3.49Å
169D92.3Very high95.6Very high45 Ų4537.7 Ų37.724%0.24119%0.187CC..  trans-149.8-177.8-171.4-148.1-9.7000112.4H137 R140 W163H137-D169 IonicContact CE1-OD1 2.67Å; H137-D169 PolarHBondContact CE1-OD1 3.45Å; H137-D169 IonicContact ND1-OD1 2.59Å; H137-D169 PolarHBondContact ND1-OD1 3.18Å; R140-D169 IonicContact CZ-OD1 3.64Å; R140-D169 IonicContact NH1-OD1 3.84Å; R140-D169 PolarHBondContact NH1-OD1 2.88Å; W163-D169 WeakPolarHBondContact CB-O 3.46Å; W163-D169 HydrophobicContact CD2-CB 4.09Å; W163-D169 HydrophobicContact CE3-CB 3.87Å; W163-D169 HydrophobicContact CG-CB 4.44Å; W163-D169 HydrophobicContact CZ3-CB 4.37Å
170D95.8Very high95.7Very high1 Ų139.5 Ų39.51%0.00521%0.206CC..  trans-151.2166.716473.6-11.4000111.9H137 R140 R172H137-D170 WeakPolarHBondContact CB-OD1 3.17Å; H137-D170 PolarHBondContact CE1-O 3.11Å; H137-D170 IonicContact CE1-OD1 2.8Å; H137-D170 IonicContact CG-OD1 2.93Å; H137-D170 PolarHBondContact ND1-O 2.99Å; H137-D170 VanDerWaalsContact ND1-O 3.09Å; H137-D170 IonicContact ND1-OD1 2.92Å; H137-D170 PolarHBondContact ND1-OD1 3.23Å; R140-D170 HydrophobicContact CB-CB 4.44Å; R140-D170 PolarHBondContact N-OD2 2.98Å; D170-R172 HydrophobicContact CB-CG 4.33Å; D170-R172 WeakPolarHBondContact OD2-CB 3.42Å
171Y96.9Very high95.8Very high27 Ų2739.5 Ų39.511%0.10621%0.206CC..SBendtrans-114.941.6173.5-78.5-95000109.9L159 N160 W163 F173 V189 F190 H279 N280L159-Y171 HydrophobicContact CD1-CD2 4.14Å; L159-Y171 HydrophobicContact CD1-CE2 4.17Å; L159-Y171 HydrophobicContact CD2-CD1 3.82Å; L159-Y171 HydrophobicContact CD2-CD2 3.73Å; L159-Y171 HydrophobicContact CD2-CE1 4.28Å; L159-Y171 HydrophobicContact CD2-CE2 4.25Å; L159-Y171 HydrophobicContact CD2-CG 3.49Å; L159-Y171 VanDerWaalsContact CD2-CG 3.49Å; L159-Y171 HydrophobicContact CG-CD2 3.7Å; L159-Y171 HydrophobicContact CG-CE2 4.23Å; L159-Y171 HydrophobicContact CG-CG 3.96Å; N160-Y171 WeakPolarHBondContact OD1-CA 3.13Å; N160-Y171 PolarHBondContact OD1-N 3.25Å; W163-Y171 AromaticContact CD1-CD2 3.46Å; W163-Y171 VanDerWaalsContact CD1-CD2 3.46Å; W163-Y171 AromaticContact CD1-CE2 3.56Å; W163-Y171 AromaticContact CE2-CE2 3.74Å; W163-Y171 HydrophobicContact CG-CD2 4.47Å; W163-Y171 HydrophobicContact CG-CE2 4.48Å; W163-Y171 HydrophobicContact CZ2-CE2 4.26Å; W163-Y171 AromaticContact NE1-CD2 3.49Å; W163-Y171 AromaticContact NE1-CE2 3.08Å; Y171-F173 HydrophobicContact CD1-CE2 4.18Å; Y171-F173 HydrophobicContact CD1-CZ 4.02Å; Y171-F173 HydrophobicContact CG-CZ 4.44Å; Y171-V189 HydrophobicContact CD1-CG1 3.59Å; Y171-V189 HydrophobicContact CE1-CB 4.18Å; Y171-V189 HydrophobicContact CE1-CG1 3.37Å; Y171-V189 HydrophobicContact CE1-CG2 3.94Å; Y171-F190 HydrophobicContact CE1-CE2 4.29Å; Y171-F190 AromaticContact CZ-CE2 3.82Å; Y171-F190 WeakPolarHBondContact OH-CE2 3.2Å; Y171-H279 WeakPolarHBondContact O-CA 3.32Å; Y171-N280 WeakPolarHBondContact CB-O 3.32Å; Y171-N280 HydrophobicContact CD1-CB 4.13Å; Y171-N280 PolarHBondContact O-N 2.94Å
172R97.3Very high95.9Very high36 Ų3640.2 Ų40.214%0.13621%0.208CC..EExtended strand (participates in β ladder)trans-123.5109-179.2-48.9175.5-178.8112.4-13109.1N160 D164 D170N160-R172 VanDerWaalsContact CB-CZ 3.44Å; N160-R172 VanDerWaalsContact CB-NH2 3.25Å; D164-R172 IonicContact OD1-CZ 2.7Å; D164-R172 IonicContact OD1-NH1 3.2Å; D164-R172 PolarHBondContact OD1-NH1 3.06Å; D164-R172 IonicContact OD1-NH2 3.9Å; D164-R172 PolarHBondContact OD1-NH2 3.38Å; D164-R172 IonicContact OD2-CZ 2.73Å; D164-R172 IonicContact OD2-NH1 2.77Å; D164-R172 IonicContact OD2-NH2 3.09Å; D164-R172 PolarHBondContact OD2-NH2 3.41Å; D170-R172 HydrophobicContact CB-CG 4.33Å; D170-R172 WeakPolarHBondContact OD2-CB 3.42Å
173F97.8Very high96Very high15 Ų1540.9 Ų40.97%0.06621%0.212CC..EExtended strand (participates in β ladder)trans-118.2141.3-165.3-55.8-68.9000111.5D135 W136 H137 Y171 Y175 N278 N280D135-F173 HydrophobicContact CB-CD1 4.21Å; D135-F173 HydrophobicContact CB-CE1 4.34Å; W136-F173 WeakPolarHBondContact O-CA 3.3Å; H137-F173 AromaticContact CE1-CE1 3.38Å; H137-F173 WeakPolarHBondContact CE1-CE1 3.39Å; H137-F173 AromaticContact ND1-CE1 3.82Å; H137-F173 AromaticContact NE2-CE1 3.6Å; Y171-F173 HydrophobicContact CD1-CE2 4.18Å; Y171-F173 HydrophobicContact CD1-CZ 4.02Å; Y171-F173 HydrophobicContact CG-CZ 4.44Å; F173-Y175 HydrophobicContact CB-CD2 3.86Å; F173-Y175 HydrophobicContact CB-CE2 3.32Å; F173-Y175 HydrophobicContact CD2-CE2 4.4Å; F173-Y175 HydrophobicContact CG-CE2 4.1Å; F173-N278 HydrophobicContact CB-CB 4.36Å; F173-N278 PolarHBondContact N-O 2.95Å; F173-N278 PolarHBondContact O-N 2.83Å; F173-N280 WeakPolarHBondContact CE2-OD1 3.4Å
174V98.4Very high96.1Very high0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-97.7133161.4177.20000108.5W68 W136 M138 M176W68-V174 HydrophobicContact CH2-CG1 4.42Å; W68-V174 HydrophobicContact CH2-CG2 4.06Å; W68-V174 HydrophobicContact CZ3-CG1 4.3Å; W68-V174 HydrophobicContact CZ3-CG2 4.42Å; W136-V174 HydrophobicContact CE3-CB 3.79Å; W136-V174 HydrophobicContact CE3-CG1 3.87Å; W136-V174 HydrophobicContact CE3-CG2 4.48Å; W136-V174 HydrophobicContact CZ3-CB 4.41Å; W136-V174 HydrophobicContact CZ3-CG1 4.2Å; W136-V174 PolarHBondContact N-O 2.63Å; W136-V174 PolarHBondContact O-N 3.13Å; M138-V174 HydrophobicContact CB-CB 4.4Å; M138-V174 HydrophobicContact CB-CG2 3.74Å; M138-V174 HydrophobicContact CE-CG2 4.01Å; M138-V174 HydrophobicContact CG-CG2 4.36Å; V174-M176 HydrophobicContact CG1-CE 3.51Å
175Y98.6Very high96.3Very high27 Ų2737 Ų3711%0.10619%0.194CC..EExtended strand (participates in β ladder)trans-120136.7172.2-68.7-110.8000108.7Y132 L133 K134 D135 F173 I275 S276 N278Y132-Y175 HydrophobicContact CE1-CD1 4.04Å; Y132-Y175 HydrophobicContact CE2-CD1 4.39Å; Y132-Y175 AromaticContact CZ-CD1 3.69Å; Y132-Y175 WeakPolarHBondContact OH-CB 3.39Å; Y132-Y175 WeakPolarHBondContact OH-CD1 3.47Å; L133-Y175 CarbonylContact O-C 3.59Å; L133-Y175 VanDerWaalsContact O-CA 3.3Å; L133-Y175 WeakPolarHBondContact O-CA 3.24Å; K134-Y175 HydrophobicContact CB-CD1 3.35Å; K134-Y175 HydrophobicContact CB-CE1 3.45Å; K134-Y175 VanDerWaalsContact CB-CE1 3.45Å; K134-Y175 HydrophobicContact CB-CG 4.36Å; D135-Y175 PolarHBondContact OD1-OH 2.78Å; F173-Y175 HydrophobicContact CB-CD2 3.86Å; F173-Y175 HydrophobicContact CB-CE2 3.32Å; F173-Y175 HydrophobicContact CD2-CE2 4.4Å; F173-Y175 HydrophobicContact CG-CE2 4.1Å; Y175-I275 CarbonylContact O-C 3.59Å; Y175-I275 WeakPolarHBondContact O-CA 3.19Å; Y175-S276 PolarHBondContact N-O 3.24Å; Y175-S276 PolarHBondContact O-N 2.74Å; Y175-N278 HydrophobicContact CD2-CB 3.78Å; Y175-N278 HydrophobicContact CE2-CB 3.52Å
176M98.4Very high96.5Very high1 Ų136.3 Ų36.31%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-153.7137.5173.361.7178.680.400112.1F109 F112 W116 Y132 L133 W136 V174 T274 I275F109-M176 HydrophobicContact CE2-CE 4Å; F109-M176 HydrophobicContact CE2-SD 3.6Å; F109-M176 VanDerWaalsContact CE2-SD 3.6Å; F109-M176 HydrophobicContact CZ-CE 4.3Å; F109-M176 HydrophobicContact CZ-SD 3.82Å; F112-M176 HydrophobicContact CE1-CG 3.9Å; F112-M176 HydrophobicContact CE1-SD 4.3Å; F112-M176 WeakPolarHBondContact CZ-O 3.43Å; W116-M176 HydrophobicContact CH2-CB 3.9Å; W116-M176 HydrophobicContact CZ3-CB 3.76Å; W116-M176 HydrophobicContact CZ3-CG 3.93Å; W116-M176 HydrophobicContact CZ3-SD 4.13Å; Y132-M176 WeakPolarHBondContact CD2-O 3.21Å; L133-M176 HydrophobicContact CB-CG 3.78Å; L133-M176 WeakPolarHBondContact CB-O 3.25Å; L133-M176 HydrophobicContact CD1-CE 4.48Å; L133-M176 HydrophobicContact CD1-CG 3.81Å; L133-M176 HydrophobicContact CD1-SD 4.03Å; L133-M176 HydrophobicContact CD2-CG 4.11Å; L133-M176 HydrophobicContact CG-CG 4.12Å; L133-M176 PolarHBondContact N-O 3.32Å; L133-M176 PolarHBondContact O-N 3.42Å; W136-M176 HydrophobicContact CE3-CE 4.19Å; W136-M176 HydrophobicContact CZ3-CE 3.85Å; V174-M176 HydrophobicContact CG1-CE 3.51Å; M176-T274 CarbonylContact C-O 3.55Å; M176-T274 VanDerWaalsContact CA-O 3.22Å; M176-T274 WeakPolarHBondContact CA-O 3.45Å; M176-I275 HydrophobicContact CB-CB 4.34Å; M176-I275 HydrophobicContact CB-CG1 3.87Å; M176-I275 HydrophobicContact CB-CG2 4.37Å
177G98.1Very high96.8Very high0 Ų034 Ų340%018%0.176CC..EExtended strand (participates in β ladder)trans-172.4164.7-178.300000114.2W116 T274W116-G177 VanDerWaalsContact CH2-N 3.31Å; W116-G177 WeakPolarHBondContact CZ2-O 3.26Å; G177-T274 PolarHBondContact N-O 3.17Å; G177-T274 PolarHBondContact O-N 2.65Å
178P98.4Very high97Very high0 Ų026.3 Ų26.30%014%0.141CC..  trans-67.4162.6-178.927.5-32.6000112.5W116 Y119 L131 G180 S181 D273W116-P178 HydrophobicContact CG-CB 4.48Å; Y119-P178 HydrophobicContact CD1-CB 3.49Å; Y119-P178 VanDerWaalsContact CD1-CB 3.49Å; Y119-P178 HydrophobicContact CD1-CG 3.89Å; Y119-P178 HydrophobicContact CE1-CB 3.62Å; Y119-P178 HydrophobicContact CE1-CG 3.9Å; Y119-P178 HydrophobicContact CG-CB 4.4Å; Y119-P178 HydrophobicContact CG-CG 4.44Å; L131-P178 WeakPolarHBondContact O-CD 3.49Å; P178-G180 PolarHBondContact O-N 3.46Å; P178-S181 VanDerWaalsContact O-CB 3.29Å; P178-S181 WeakPolarHBondContact O-CB 3.21Å; P178-S181 PolarHBondContact O-N 3.36Å; P178-S181 PolarHBondContact O-OG 3.27Å; P178-D273 WeakPolarHBondContact CA-OD1 3.33Å
179K98.5Very high97.3Very high103 Ų10324.2 Ų24.245%0.44813%0.128SC..THydrogen-bonded Turntrans-48.6132.6163.4170.5176.2-176.9-1790110.7L271 D273K179-L271 VanDerWaalsContact CD-O 3.25Å; K179-L271 WeakPolarHBondContact CD-O 3.48Å; K179-L271 WeakPolarHBondContact CE-O 3.4Å; K179-L271 VanDerWaalsContact CG-O 3.26Å; K179-L271 WeakPolarHBondContact CG-O 3.23Å; K179-D273 PolarHBondContact N-OD1 3.27Å
180G97.8Very high97.4Very high40 Ų4022.2 Ų22.241%0.41212%0.117SC..THydrogen-bonded Turntrans94.9-13.6-177.900000114.2C130 P178 N270C130-G180 VanDerWaalsContact SG-C 3.6Å; P178-G180 PolarHBondContact O-N 3.46Å; G180-N270 PolarHBondContact N-O 2.87Å
181S98.4Very high97.5Very high0 Ų025.3 Ų25.30%013%0.129CC..  trans-63.3145.9167.258.90000110.6C130 P178 N270C130-S181 WeakPolarHBondContact SG-CA 3.33Å; C130-S181 PolarHBondContact SG-N 3.46Å; P178-S181 VanDerWaalsContact O-CB 3.29Å; P178-S181 WeakPolarHBondContact O-CB 3.21Å; P178-S181 PolarHBondContact O-N 3.36Å; P178-S181 PolarHBondContact O-OG 3.27Å; S181-N270 WeakPolarHBondContact O-CB 3.19Å; S181-N270 PolarHBondContact O-N 3.44Å; S181-N270 WeakPolarHBondContact OG-CB 3.44Å; S181-N270 PolarHBondContact OG-ND2 3.2Å
182W98.3Very high97.5Very high30 Ų3024 Ų2411%0.11412%0.124CC..EExtended strand (participates in β ladder)trans-157.1160.9-173.572.7-73000111.7C94 P184 Y225 D226 Q267 V268 Y269C94-W182 PolarHBondContact O-NE1 3.06Å; C94-W182 VanDerWaalsContact O-NE1 3.11Å; C94-W182 PolarHBondContact SG-N 3.38Å; C94-W182 PolarHBondContact SG-O 3.06Å; W182-P184 HydrophobicContact CH2-CB 4.3Å; W182-P184 HydrophobicContact CH2-CG 3.99Å; W182-P184 HydrophobicContact CZ2-CG 4.45Å; W182-P184 VanDerWaalsContact CZ3-CA 3.48Å; W182-P184 HydrophobicContact CZ3-CB 4.14Å; W182-P184 HydrophobicContact CZ3-CG 4.08Å; W182-Y225 AromaticContact CH2-CD1 3.84Å; W182-Y225 HydrophobicContact CH2-CD1 3.84Å; W182-Y225 AromaticContact CH2-CE1 3.45Å; W182-Y225 HydrophobicContact CH2-CE1 3.45Å; W182-Y225 VanDerWaalsContact CH2-CE1 3.45Å; W182-Y225 HydrophobicContact CZ2-CD1 4.41Å; W182-Y225 AromaticContact CZ2-CE1 3.62Å; W182-Y225 HydrophobicContact CZ2-CE1 3.62Å; W182-D226 HydrophobicContact CH2-CB 3.91Å; W182-D226 HydrophobicContact CZ3-CB 4.12Å; W182-Q267 HydrophobicContact CE3-CG 4.23Å; W182-Q267 HydrophobicContact CZ3-CG 4.31Å; W182-V268 CarbonylContact C-O 3.44Å; W182-V268 WeakPolarHBondContact CA-O 3.35Å; W182-V268 VanDerWaalsContact CB-O 3.24Å; W182-V268 WeakPolarHBondContact CB-O 3.38Å; W182-Y269 HydrophobicContact CB-CD1 3.45Å; W182-Y269 VanDerWaalsContact CB-CD1 3.45Å; W182-Y269 HydrophobicContact CB-CE1 3.9Å; W182-Y269 HydrophobicContact CB-CG 4.14Å; W182-Y269 HydrophobicContact CD2-CE1 4.04Å; W182-Y269 AromaticContact CE3-CE1 3.96Å; W182-Y269 HydrophobicContact CE3-CE1 3.96Å; W182-Y269 HydrophobicContact CG-CD1 4.04Å; W182-Y269 HydrophobicContact CG-CE1 4.01Å
183T97.3Very high97.6Very high19 Ų1922.4 Ų22.412%0.11712%0.118CC..EExtended strand (participates in β ladder)trans-116126.7173.8-55.90000109.1H186 Q267 V268T183-H186 VanDerWaalsContact CG2-CE1 3.42Å; T183-H186 WeakPolarHBondContact CG2-CE1 3.38Å; T183-Q267 WeakPolarHBondContact O-CG 2.85Å; T183-V268 PolarHBondContact N-O 3.44Å; T183-V268 PolarHBondContact O-N 2.67Å
184P97.6Very high97.6Very high8 Ų821.8 Ų21.85%0.05212%0.115CC..EExtended strand (participates in β ladder)trans-53.4164.3175.1-29.236.6000114.7N102 W182 H186 Y225N102-P184 WeakPolarHBondContact OD1-CD 3.38Å; W182-P184 HydrophobicContact CH2-CB 4.3Å; W182-P184 HydrophobicContact CH2-CG 3.99Å; W182-P184 HydrophobicContact CZ2-CG 4.45Å; W182-P184 VanDerWaalsContact CZ3-CA 3.48Å; W182-P184 HydrophobicContact CZ3-CB 4.14Å; W182-P184 HydrophobicContact CZ3-CG 4.08Å; P184-H186 PolarHBondContact O-N 3.09Å; P184-H186 PolarHBondContact O-ND1 3.31Å; P184-Y225 HydrophobicContact CB-CD2 3.77Å; P184-Y225 HydrophobicContact CB-CE2 3.61Å; P184-Y225 HydrophobicContact CB-CG 4.41Å; P184-Y225 WeakPolarHBondContact CB-O 3.32Å; P184-Y225 HydrophobicContact CG-CD2 3.98Å; P184-Y225 HydrophobicContact CG-CE1 4.26Å; P184-Y225 HydrophobicContact CG-CE2 3.27Å; P184-Y225 VanDerWaalsContact CG-CZ 3.44Å
185F97.8Very high97.6Very high9 Ų921.8 Ų21.84%0.03912%0.115CC..EExtended strand (participates in β ladder)trans-64121177.5-172.6-126.9000111.5Y208 E213 L216 L223 A224 Y225 V227 H265 H266 Q267F185-Y208 HydrophobicContact CD2-CD2 4.41Å; F185-Y208 AromaticContact CE2-CD2 3.4Å; F185-Y208 HydrophobicContact CE2-CD2 3.4Å; F185-Y208 AromaticContact CE2-CE2 3.99Å; F185-Y208 HydrophobicContact CE2-CE2 3.99Å; F185-Y208 HydrophobicContact CE2-CG 4.07Å; F185-Y208 AromaticContact CZ-CD2 3.74Å; F185-Y208 HydrophobicContact CZ-CD2 3.74Å; F185-Y208 HydrophobicContact CZ-CE2 4.33Å; F185-Y208 HydrophobicContact CZ-CG 4.01Å; F185-E213 HydrophobicContact CE1-CB 4.46Å; F185-L216 HydrophobicContact CE1-CB 4.18Å; F185-L216 HydrophobicContact CE1-CD1 3.71Å; F185-L216 HydrophobicContact CZ-CD1 3.71Å; F185-L223 HydrophobicContact CD1-CD1 3.86Å; F185-L223 HydrophobicContact CD1-CD2 3.85Å; F185-L223 HydrophobicContact CD1-CG 3.74Å; F185-L223 HydrophobicContact CE1-CD1 3.69Å; F185-L223 HydrophobicContact CE1-CD2 4.28Å; F185-L223 HydrophobicContact CE1-CG 4.11Å; F185-A224 WeakPolarHBondContact CB-O 3.35Å; F185-A224 HydrophobicContact CD1-CB 4.39Å; F185-Y225 PolarHBondContact N-O 3.19Å; F185-Y225 VanDerWaalsContact N-O 3.11Å; F185-V227 HydrophobicContact CB-CG1 3.83Å; F185-V227 HydrophobicContact CD1-CG1 3.44Å; F185-V227 VanDerWaalsContact CD1-CG1 3.44Å; F185-V227 HydrophobicContact CD2-CG1 3.81Å; F185-V227 HydrophobicContact CD2-CG2 4.47Å; F185-V227 HydrophobicContact CE1-CG1 3.81Å; F185-V227 HydrophobicContact CE2-CG1 4.16Å; F185-V227 HydrophobicContact CG-CG1 3.43Å; F185-V227 VanDerWaalsContact CG-CG1 3.43Å; F185-V227 HydrophobicContact CZ-CG1 4.16Å; F185-H265 HydrophobicContact CD2-CB 4.18Å; F185-H265 HydrophobicContact CE1-CB 4.04Å; F185-H265 HydrophobicContact CE2-CB 3.35Å; F185-H265 HydrophobicContact CZ-CB 3.28Å; F185-H266 WeakPolarHBondContact CA-O 3.35Å; F185-Q267 HydrophobicContact CB-CB 4.38Å; F185-Q267 HydrophobicContact CD2-CB 4.3Å
186H97Very high97.6Very high57 Ų5720.5 Ų20.526%0.26411%0.11SC..EExtended strand (participates in β ladder)trans-157.1168.2-176.168.5-64.3000110.7T183 P184 H265 H266T183-H186 VanDerWaalsContact CG2-CE1 3.42Å; T183-H186 WeakPolarHBondContact CG2-CE1 3.38Å; P184-H186 PolarHBondContact O-N 3.09Å; P184-H186 PolarHBondContact O-ND1 3.31Å; H186-H265 CarbonylContact O-C 3.43Å; H186-H265 WeakPolarHBondContact O-CA 3.38Å; H186-H266 AromaticContact CE1-CD2 3.78Å; H186-H266 AromaticContact CE1-CE1 3.98Å; H186-H266 AromaticContact CE1-NE2 3.38Å; H186-H266 PolarHBondContact CE1-NE2 3.29Å; H186-H266 PolarHBondContact N-O 2.76Å; H186-H266 PolarHBondContact ND1-O 3.18Å; H186-H266 AromaticContact NE2-CE1 3.85Å; H186-H266 AromaticContact NE2-NE2 3.5Å; H186-H266 PolarHBondContact O-N 3.41Å
187A97Very high97.6Very high21 Ų2120.4 Ų20.417%0.17411%0.11CC..  trans-111.8156.7158.200000109.1H265A187-H265 PolarHBondContact N-CD2 3.28Å
188D97Very high97.6Very high17 Ų1720.4 Ų20.49%0.09111%0.11CC..  trans-62151.1179.2-75.4-62.3000113.3R191 S194 H266 N280D188-R191 VanDerWaalsContact O-CA 3.3Å; D188-R191 WeakPolarHBondContact O-CA 3.4Å; D188-R191 PolarHBondContact O-N 2.7Å; D188-S194 WeakPolarHBondContact OD2-CB 3.44Å; D188-H266 IonicContact OD2-CE1 3.32Å; D188-H266 PolarHBondContact OD2-CE1 3.22Å; D188-N280 WeakPolarHBondContact CB-ND2 3.26Å; D188-N280 PolarHBondContact OD1-ND2 3.47Å
189V93.8Very high97.7Very high53 Ų5320.5 Ų20.532%0.32111%0.11SC..G310 helixtrans-47.9140.4176.564.80000111.9Y171 R191 S192 N280Y171-V189 HydrophobicContact CD1-CG1 3.59Å; Y171-V189 HydrophobicContact CE1-CB 4.18Å; Y171-V189 HydrophobicContact CE1-CG1 3.37Å; Y171-V189 HydrophobicContact CE1-CG2 3.94Å; V189-R191 PolarHBondContact O-N 3.4Å; V189-S192 WeakPolarHBondContact O-CB 3.43Å; V189-S192 PolarHBondContact O-N 3.11Å; V189-S192 PolarHBondContact O-OG 2.94Å; V189-N280 HydrophobicContact CG1-CB 4.14Å
190F96.4Very high97.7Very high2 Ų215.6 Ų15.61%0.0099%0.089CC..G310 helixtrans57.511.4-174.8-56.3-53.5000115.5L159 Y171 S192 M290 F293 L294 S327 I329L159-F190 HydrophobicContact CD1-CD2 4.11Å; L159-F190 HydrophobicContact CD1-CE2 4.08Å; L159-F190 HydrophobicContact CD2-CD2 4.22Å; Y171-F190 HydrophobicContact CE1-CE2 4.29Å; Y171-F190 AromaticContact CZ-CE2 3.82Å; Y171-F190 WeakPolarHBondContact OH-CE2 3.2Å; F190-S192 PolarHBondContact O-N 2.8Å; F190-M290 HydrophobicContact CB-CE 4.17Å; F190-M290 HydrophobicContact CB-CG 4.06Å; F190-M290 HydrophobicContact CB-SD 4.44Å; F190-M290 HydrophobicContact CD1-CE 3.69Å; F190-M290 HydrophobicContact CD2-CE 3.99Å; F190-M290 HydrophobicContact CE1-CE 4.03Å; F190-M290 HydrophobicContact CE2-CE 4.31Å; F190-M290 HydrophobicContact CG-CE 3.68Å; F190-M290 HydrophobicContact CG-CG 4.48Å; F190-M290 HydrophobicContact CZ-CE 4.34Å; F190-F293 HydrophobicContact CD1-CD1 4.14Å; F190-F293 AromaticContact CD1-CE1 3.82Å; F190-F293 HydrophobicContact CD1-CE1 3.82Å; F190-F293 HydrophobicContact CE1-CE1 4.48Å; F190-L294 HydrophobicContact CE1-CD2 4.49Å; F190-S327 WeakPolarHBondContact CE1-O 3.37Å; F190-S327 VanDerWaalsContact CZ-O 3.26Å; F190-S327 WeakPolarHBondContact CZ-O 3.37Å; F190-I329 HydrophobicContact CE1-CD1 4.32Å; F190-I329 HydrophobicContact CE1-CG1 3.87Å; F190-I329 HydrophobicContact CZ-CD1 4.46Å; F190-I329 HydrophobicContact CZ-CG1 4.11Å; F190-I329 HydrophobicContact CZ-CG2 4.32Å
191R96.6Very high97.7Very high66 Ų6614 Ų1425%0.2497%0.073CC..G310 helixtrans52.340.6-163.3-48.2-62.6-176.1165.7-1110D188 V189 S262 H265 I289 F293D188-R191 VanDerWaalsContact O-CA 3.3Å; D188-R191 WeakPolarHBondContact O-CA 3.4Å; D188-R191 PolarHBondContact O-N 2.7Å; V189-R191 PolarHBondContact O-N 3.4Å; R191-S262 VanDerWaalsContact O-CB 3.23Å; R191-S262 WeakPolarHBondContact O-CB 3.41Å; R191-S262 PolarHBondContact O-OG 3.44Å; R191-H265 PolarHBondContact NH1-CE1 3.26Å; R191-H265 PolarHBondContact NH1-NE2 3.11Å; R191-I289 HydrophobicContact CB-CG2 3.54Å; R191-I289 HydrophobicContact CG-CG2 4.07Å; R191-F293 HydrophobicContact CG-CB 4.13Å; R191-F293 HydrophobicContact CG-CD2 4.11Å; R191-F293 HydrophobicContact CG-CG 4.27Å
192S97.9Very high97.7Very high1 Ų118 Ų181%0.0079%0.088CC..  trans-65.5168.2177.253.20000111.7V189 F190 S262 N280 W281V189-S192 WeakPolarHBondContact O-CB 3.43Å; V189-S192 PolarHBondContact O-N 3.11Å; V189-S192 PolarHBondContact O-OG 2.94Å; F190-S192 PolarHBondContact O-N 2.8Å; S192-S262 WeakPolarHBondContact O-CA 3.44Å; S192-N280 WeakPolarHBondContact OG-CB 3.43Å; S192-N280 PolarHBondContact OG-ND2 3.18Å; S192-W281 WeakPolarHBondContact CB-O 3.45Å
193Y98.4Very high97.7Very high2 Ų216.7 Ų16.71%0.0088%0.083CC..EExtended strand (participates in β ladder)trans-69.1156.8155.2-67.7-39.1000110.4L46 N49 F259 P261 S262 N280 W281 C285 N286L46-Y193 HydrophobicContact CD2-CD2 4.12Å; L46-Y193 HydrophobicContact CD2-CE2 3.86Å; L46-Y193 PolarHBondContact O-OH 2.89Å; N49-Y193 VanDerWaalsContact OD1-CE1 3.3Å; N49-Y193 WeakPolarHBondContact OD1-CE1 3.22Å; Y193-F259 AromaticContact CD1-CE2 3.81Å; Y193-F259 HydrophobicContact CD1-CE2 3.81Å; Y193-F259 AromaticContact CD1-CZ 3.68Å; Y193-F259 HydrophobicContact CD1-CZ 3.68Å; Y193-F259 HydrophobicContact CD2-CE2 4.4Å; Y193-F259 HydrophobicContact CE1-CE2 4.47Å; Y193-F259 AromaticContact CE1-CZ 3.92Å; Y193-F259 HydrophobicContact CE1-CZ 3.92Å; Y193-F259 AromaticContact CG-CE2 3.79Å; Y193-F259 HydrophobicContact CG-CE2 3.79Å; Y193-F259 HydrophobicContact CG-CZ 4.05Å; Y193-P261 HydrophobicContact CE1-CB 4.43Å; Y193-S262 VanDerWaalsContact CD1-N 3.27Å; Y193-N280 WeakPolarHBondContact O-CA 3.18Å; Y193-W281 WeakPolarHBondContact CA-O 3.44Å; Y193-W281 WeakPolarHBondContact CB-O 3.27Å; Y193-W281 HydrophobicContact CD2-CZ2 4.34Å; Y193-W281 AromaticContact CD2-NE1 3.61Å; Y193-W281 HydrophobicContact CG-CZ2 4.22Å; Y193-W281 PolarHBondContact N-O 3.05Å; Y193-W281 PolarHBondContact O-N 2.89Å; Y193-C285 HydrophobicContact CE2-CB 4.32Å; Y193-C285 WeakPolarHBondContact OH-CB 3.45Å; Y193-N286 WeakPolarHBondContact CD2-ND2 3.44Å; Y193-N286 HydrophobicContact CE1-CB 4.32Å; Y193-N286 HydrophobicContact CE2-CB 4.17Å; Y193-N286 WeakPolarHBondContact CE2-ND2 3.39Å; Y193-N286 VanDerWaalsContact CG-ND2 3.29Å; Y193-N286 PolarHBondContact N-ND2 3.04Å
194S98.1Very high97.8Very high1 Ų118.1 Ų18.11%0.0079%0.087CC..EExtended strand (participates in β ladder)trans-140.6153.6169.9-179.10000112D188 V260 H279 W281D188-S194 WeakPolarHBondContact OD2-CB 3.44Å; S194-V260 PolarHBondContact N-O 3.13Å; S194-V260 PolarHBondContact O-N 3.16Å; S194-H279 WeakPolarHBondContact CA-O 3.2Å; S194-H279 PolarHBondContact OG-O 3.35Å; S194-W281 WeakPolarHBondContact O-CH2 3.34Å
195W98.4Very high97.8Very high0 Ų018 Ų180%09%0.086CC..EExtended strand (participates in β ladder)trans-139.1137.8172.465.8-111.4000107.1W62 Y148 T150 F154 A197 I257 I258 I277 N278 H279 W281W62-W195 AromaticContact CH2-CH2 3.85Å; W62-W195 HydrophobicContact CH2-CH2 3.85Å; W62-W195 AromaticContact CH2-CZ3 3.81Å; W62-W195 HydrophobicContact CH2-CZ3 3.81Å; W62-W195 HydrophobicContact CZ3-CZ3 4.36Å; Y148-W195 HydrophobicContact CD2-CH2 4.07Å; Y148-W195 AromaticContact CE2-CH2 3.97Å; Y148-W195 HydrophobicContact CE2-CH2 3.97Å; Y148-W195 HydrophobicContact CE2-CZ2 4.2Å; T150-W195 HydrophobicContact CG2-CZ2 4.39Å; F154-W195 AromaticContact CD1-CD1 3.72Å; F154-W195 HydrophobicContact CD1-CG 4.38Å; F154-W195 HydrophobicContact CD2-CB 4.38Å; F154-W195 AromaticContact CD2-CD1 3.27Å; F154-W195 HydrophobicContact CD2-CD2 4.06Å; F154-W195 AromaticContact CD2-CE2 3.97Å; F154-W195 AromaticContact CD2-CG 3.73Å; F154-W195 HydrophobicContact CD2-CG 3.73Å; F154-W195 AromaticContact CD2-NE1 3.55Å; F154-W195 HydrophobicContact CE1-CB 4.27Å; F154-W195 HydrophobicContact CE2-CB 4.14Å; F154-W195 AromaticContact CE2-CD1 3.9Å; F154-W195 HydrophobicContact CE2-CD2 4.29Å; F154-W195 AromaticContact CE2-CG 3.91Å; F154-W195 HydrophobicContact CE2-CG 3.91Å; F154-W195 AromaticContact CG-CD1 3.17Å; F154-W195 AromaticContact CG-CG 3.99Å; F154-W195 HydrophobicContact CG-CG 3.99Å; F154-W195 AromaticContact CG-NE1 3.61Å; F154-W195 HydrophobicContact CZ-CB 4.07Å; F154-W195 HydrophobicContact CZ-CG 4.3Å; W195-A197 HydrophobicContact CE3-CB 4.11Å; W195-A197 HydrophobicContact CZ3-CB 3.65Å; W195-I257 HydrophobicContact CB-CG2 4.01Å; W195-I257 HydrophobicContact CD2-CG2 4.44Å; W195-I257 HydrophobicContact CE3-CG2 3.94Å; W195-I258 CarbonylContact C-O 3.5Å; W195-I258 WeakPolarHBondContact CA-O 3.06Å; W195-I258 WeakPolarHBondContact CB-O 3.36Å; W195-I277 HydrophobicContact CH2-CG2 3.82Å; W195-I277 HydrophobicContact CZ3-CB 4.35Å; W195-I277 HydrophobicContact CZ3-CG2 4.01Å; W195-N278 VanDerWaalsContact O-CA 3.26Å; W195-N278 WeakPolarHBondContact O-CA 3.42Å; W195-H279 HydrophobicContact CD2-CB 4.18Å; W195-H279 AromaticContact CE2-CD2 3.86Å; W195-H279 AromaticContact CE2-CG 3.45Å; W195-H279 VanDerWaalsContact CE2-CG 3.45Å; W195-H279 AromaticContact CE2-ND1 3.77Å; W195-H279 HydrophobicContact CG-CB 4.37Å; W195-H279 AromaticContact CH2-CD2 3.71Å; W195-H279 AromaticContact CH2-NE2 3.84Å; W195-H279 HydrophobicContact CZ2-CB 4.01Å; W195-H279 AromaticContact CZ2-CD2 3.33Å; W195-H279 WeakPolarHBondContact CZ2-CD2 3.14Å; W195-H279 AromaticContact CZ2-CE1 3.56Å; W195-H279 AromaticContact CZ2-CG 3.32Å; W195-H279 AromaticContact CZ2-ND1 3.46Å; W195-H279 WeakPolarHBondContact CZ2-ND1 3.32Å; W195-H279 AromaticContact CZ2-NE2 3.49Å; W195-H279 WeakPolarHBondContact CZ2-NE2 3.48Å; W195-H279 PolarHBondContact N-O 2.47Å; W195-H279 VanDerWaalsContact N-O 3.13Å; W195-H279 AromaticContact NE1-CG 3.58Å; W195-H279 AromaticContact NE1-ND1 3.71Å; W195-H279 PolarHBondContact O-N 3.36Å; W195-W281 HydrophobicContact CB-CH2 3.6Å; W195-W281 HydrophobicContact CB-CZ3 3.66Å; W195-W281 AromaticContact CD1-CE3 3.58Å; W195-W281 AromaticContact CD1-CH2 3.25Å; W195-W281 AromaticContact CD1-CZ3 2.92Å; W195-W281 HydrophobicContact CG-CE3 4.44Å; W195-W281 AromaticContact CG-CH2 3.78Å; W195-W281 HydrophobicContact CG-CH2 3.78Å; W195-W281 AromaticContact CG-CZ3 3.5Å; W195-W281 HydrophobicContact CG-CZ3 3.5Å; W195-W281 VanDerWaalsContact CG-CZ3 3.5Å; W195-W281 AromaticContact NE1-CZ3 3.83Å
196S98.6Very high97.8Very high0 Ų017.8 Ų17.80%09%0.085CC..EExtended strand (participates in β ladder)trans-126.1118176.1-172.20000108.7Q252 I257 I258 I277 N278S196-Q252 PolarHBondContact O-NE2 3.32Å; S196-I257 VanDerWaalsContact O-CA 3.3Å; S196-I257 WeakPolarHBondContact O-CA 3.23Å; S196-I258 PolarHBondContact N-O 3.3Å; S196-I258 PolarHBondContact O-N 3.28Å; S196-I277 CarbonylContact C-O 3.59Å; S196-I277 WeakPolarHBondContact CA-O 3.03Å; S196-N278 WeakPolarHBondContact CB-ND2 3.5Å; S196-N278 VanDerWaalsContact OG-CG 3.27Å; S196-N278 PolarHBondContact OG-ND2 2.67Å; S196-N278 PolarHBondContact OG-OD1 3.47Å
197A98.7Very high97.8Very high0 Ų015 Ų150%07%0.073CC..EExtended strand (participates in β ladder)trans-93.6116.9169.700000109.1T59 W62 W195 I199 E256 I257 S276 I277T59-A197 HydrophobicContact CG2-CB 4.17Å; W62-A197 HydrophobicContact CH2-CB 3.67Å; W62-A197 HydrophobicContact CZ3-CB 3.41Å; W62-A197 VanDerWaalsContact CZ3-CB 3.41Å; W195-A197 HydrophobicContact CE3-CB 4.11Å; W195-A197 HydrophobicContact CZ3-CB 3.65Å; A197-I199 HydrophobicContact CB-CD1 4.35Å; A197-I199 PolarHBondContact O-N 3.21Å; A197-E256 WeakPolarHBondContact CA-O 3.4Å; A197-I257 HydrophobicContact CB-CG1 3.91Å; A197-I257 HydrophobicContact CB-CG2 4.49Å; A197-S276 CarbonylContact O-C 3.57Å; A197-S276 WeakPolarHBondContact O-CA 3.28Å; A197-S276 VanDerWaalsContact O-CB 3.24Å; A197-S276 WeakPolarHBondContact O-CB 3.21Å; A197-I277 PolarHBondContact N-O 3.16Å; A197-I277 PolarHBondContact O-N 2.89Å
198N98.6Very high97.8Very high0 Ų014.9 Ų14.90%07%0.067CC..EExtended strand (participates in β ladder)trans-83.2106.2179.2-172.238.2000109.3C200 G201 Q252 E253 G255 E256 T274N198-C200 PolarHBondContact OD1-O 3.3Å; N198-C200 VanDerWaalsContact OD1-O 3.07Å; N198-G201 PolarHBondContact ND2-O 2.79Å; N198-Q252 HydrophobicContact CB-CG 3.81Å; N198-Q252 PolarHBondContact ND2-O 3.03Å; N198-E253 PolarHBondContact ND2-O 3.45Å; N198-E253 VanDerWaalsContact ND2-O 3.16Å; N198-G255 WeakPolarHBondContact O-CA 3.45Å; N198-G255 PolarHBondContact O-N 2.74Å; N198-E256 PolarHBondContact N-O 3.43Å; N198-T274 VanDerWaalsContact OD1-CG2 3.28Å; N198-T274 WeakPolarHBondContact OD1-CG2 3.14Å
199I98.7Very high97.7Very high1 Ų114.1 Ų14.11%0.0056%0.064CC..EExtended strand (participates in β ladder)trans-74.4-41.1-173.4-57-49.4000110.9W62 C64 R65 V69 A197 I275 I277W62-I199 HydrophobicContact CE3-CD1 3.85Å; W62-I199 HydrophobicContact CZ3-CD1 4.01Å; C64-I199 HydrophobicContact CB-CG2 4.26Å; R65-I199 VanDerWaalsContact CD-O 3.31Å; R65-I199 WeakPolarHBondContact CD-O 3.4Å; R65-I199 HydrophobicContact CG-CG2 4.43Å; R65-I199 PolarHBondContact NE-O 3.05Å; V69-I199 HydrophobicContact CG2-CG2 3.7Å; A197-I199 HydrophobicContact CB-CD1 4.35Å; A197-I199 PolarHBondContact O-N 3.21Å; I199-I275 WeakPolarHBondContact CA-O 3.3Å; I199-I275 HydrophobicContact CB-CB 4.3Å; I199-I275 HydrophobicContact CB-CG2 4.25Å; I199-I275 WeakPolarHBondContact CB-O 3.3Å; I199-I275 HydrophobicContact CG1-CG2 4.44Å; I199-I275 PolarHBondContact N-O 3.03Å; I199-I277 HydrophobicContact CD1-CD1 4.02Å; I199-I277 HydrophobicContact CD1-CG1 4.14Å; I199-I277 HydrophobicContact CG1-CD1 4.22Å; I199-I277 HydrophobicContact CG1-CG1 4Å
200C98.4Very high97.7Very high1 Ų113.4 Ų13.41%0.0076%0.06CC..EExtended strand (participates in β ladder)trans-152.3165.2171.167.30000110.7V69 N198 T274 I275V69-C200 HydrophobicContact CB-CB 4.48Å; V69-C200 HydrophobicContact CG1-CB 3.8Å; V69-C200 HydrophobicContact CG2-CB 3.81Å; N198-C200 PolarHBondContact OD1-O 3.3Å; N198-C200 VanDerWaalsContact OD1-O 3.07Å; C200-T274 WeakPolarHBondContact O-CA 3.33Å; C200-I275 PolarHBondContact N-O 3.48Å; C200-I275 PolarHBondContact O-N 3.28Å
201G98.3Very high97.6Very high6 Ų614.9 Ų14.96%0.0628%0.076CC..SBendtrans83.5-163-17600000112.4N198 A254 D273N198-G201 PolarHBondContact ND2-O 2.79Å; G201-A254 PolarHBondContact O-N 3.04Å; G201-D273 WeakPolarHBondContact CA-O 3.37Å
202R98.6Very high97.5Very high84 Ų8413.1 Ų13.132%0.3177%0.07SC..  trans-142.2135.8-175.2-61.717970.3-1461.2109.6Q252 E253 L271 E272R202-Q252 WeakPolarHBondContact CA-O 3.24Å; R202-E253 WeakPolarHBondContact CD-OE2 3.39Å; R202-E253 WeakPolarHBondContact CG-OE2 3.49Å; R202-E253 IonicContact CZ-OE1 2.94Å; R202-E253 VanDerWaalsContact CZ-OE1 3.29Å; R202-E253 IonicContact CZ-OE2 3.51Å; R202-E253 VanDerWaalsContact NE-CD 3.32Å; R202-E253 IonicContact NE-OE1 3.74Å; R202-E253 PolarHBondContact NE-OE1 3.31Å; R202-E253 IonicContact NE-OE2 3.84Å; R202-E253 PolarHBondContact NE-OE2 3.5Å; R202-E253 IonicContact NH2-OE1 2.63Å; R202-E253 PolarHBondContact NH2-OE1 3.46Å; R202-L271 HydrophobicContact CB-CB 4.19Å; R202-L271 PolarHBondContact O-N 3.29Å; R202-E272 HydrophobicContact CB-CG 4.33Å; R202-E272 WeakPolarHBondContact CD-OE1 3.3Å; R202-E272 HydrophobicContact CG-CG 4.3Å
203K98.8Very high97.4Very high3 Ų314.1 Ų14.11%0.0138%0.075CC..EExtended strand (participates in β ladder)trans-118.6141178.2-61.2-169.2173.9-172.60111.4W205 I251 Q252 V268 Y269 N270 T274 S276K203-W205 HydrophobicContact CD-CZ2 4.23Å; K203-I251 CarbonylContact O-C 3.47Å; K203-I251 WeakPolarHBondContact O-CA 3.49Å; K203-Q252 HydrophobicContact CB-CB 4.29Å; K203-Q252 PolarHBondContact N-O 2.92Å; K203-Q252 PolarHBondContact O-N 3.29Å; K203-V268 HydrophobicContact CB-CG1 4.27Å; K203-V268 HydrophobicContact CD-CG1 4.05Å; K203-Y269 CarbonylContact C-O 3.58Å; K203-Y269 VanDerWaalsContact CA-O 3.28Å; K203-Y269 WeakPolarHBondContact CA-O 3.48Å; K203-N270 VanDerWaalsContact CE-OD1 3.25Å; K203-N270 WeakPolarHBondContact CE-OD1 3.47Å; K203-N270 WeakPolarHBondContact CG-OD1 3.43Å; K203-T274 HydrophobicContact CD-CG2 4.28Å; K203-T274 HydrophobicContact CG-CG2 4.01Å; K203-S276 PolarHBondContact NZ-OG 2.69Å
204K98.7Very high97.2Very high49 Ų4918.5 Ų18.521%0.21310%0.095CC..EExtended strand (participates in β ladder)trans-104.4124.1166.1172.8170.4170.2152.70108.7E249 I250 I251 V268 Y269 L271K204-E249 VanDerWaalsContact CE-OE1 3.25Å; K204-E249 WeakPolarHBondContact CE-OE1 3.4Å; K204-E249 VanDerWaalsContact CE-OE2 3.29Å; K204-E249 WeakPolarHBondContact CE-OE2 3.27Å; K204-E249 HydrophobicContact CG-CG 4.46Å; K204-E249 IonicContact NZ-OE1 3.29Å; K204-E249 PolarHBondContact NZ-OE1 3.38Å; K204-E249 IonicContact NZ-OE2 3.95Å; K204-E249 PolarHBondContact NZ-OE2 3.33Å; K204-I250 CarbonylContact C-O 3.58Å; K204-I250 WeakPolarHBondContact CA-O 3.4Å; K204-I251 HydrophobicContact CB-CD1 3.8Å; K204-I251 HydrophobicContact CD-CD1 4.34Å; K204-I251 HydrophobicContact CG-CD1 4.01Å; K204-V268 CarbonylContact O-C 3.53Å; K204-V268 WeakPolarHBondContact O-CA 3.35Å; K204-Y269 PolarHBondContact N-O 3.03Å; K204-Y269 PolarHBondContact O-N 3.14Å; K204-L271 HydrophobicContact CB-CD1 4.02Å; K204-L271 HydrophobicContact CB-CD2 3.99Å; K204-L271 HydrophobicContact CB-CG 4.04Å
205W98.5Very high97.1Very high4 Ų421.1 Ų21.12%0.01511%0.107CC..EExtended strand (participates in β ladder)trans-110.1137.8175.9-61.477.1000110K203 L207 E249 I250 I258 V260 H266 Q267 V268K203-W205 HydrophobicContact CD-CZ2 4.23Å; W205-L207 HydrophobicContact CB-CD1 3.39Å; W205-L207 HydrophobicContact CE3-CD1 4.23Å; W205-L207 HydrophobicContact CG-CD1 4.27Å; W205-E249 WeakPolarHBondContact O-CA 3.48Å; W205-I250 HydrophobicContact CB-CB 4.29Å; W205-I250 PolarHBondContact N-O 3.15Å; W205-I250 PolarHBondContact O-N 2.95Å; W205-I258 HydrophobicContact CB-CD1 4.44Å; W205-I258 HydrophobicContact CD2-CD1 3.94Å; W205-I258 HydrophobicContact CD2-CG2 4.36Å; W205-I258 HydrophobicContact CE3-CD1 4.21Å; W205-I258 HydrophobicContact CG-CD1 4.02Å; W205-I258 HydrophobicContact CH2-CG2 3.96Å; W205-I258 HydrophobicContact CZ2-CG2 3.56Å; W205-I258 HydrophobicContact CZ3-CG2 4.48Å; W205-V260 HydrophobicContact CE3-CG2 4.37Å; W205-V260 HydrophobicContact CH2-CG2 4.47Å; W205-V260 HydrophobicContact CZ3-CG2 3.88Å; W205-H266 AromaticContact CE3-CD2 3.88Å; W205-H266 AromaticContact CZ3-CD2 3.55Å; W205-H266 AromaticContact CZ3-NE2 3.86Å; W205-Q267 WeakPolarHBondContact CA-O 3.38Å; W205-V268 HydrophobicContact CD2-CB 4.48Å; W205-V268 HydrophobicContact CD2-CG1 3.91Å; W205-V268 HydrophobicContact CD2-CG2 3.8Å; W205-V268 HydrophobicContact CE3-CB 4.45Å; W205-V268 HydrophobicContact CE3-CG1 4.31Å; W205-V268 HydrophobicContact CE3-CG2 3.35Å; W205-V268 HydrophobicContact CG-CG1 4.31Å; W205-V268 HydrophobicContact CH2-CG1 4.42Å; W205-V268 HydrophobicContact CH2-CG2 3.93Å; W205-V268 HydrophobicContact CZ2-CG1 4.04Å; W205-V268 HydrophobicContact CZ2-CG2 4.34Å; W205-V268 HydrophobicContact CZ3-CG2 3.42Å; W205-V268 VanDerWaalsContact CZ3-CG2 3.42Å
206L97.9Very high97Very high5 Ų521.3 Ų21.33%0.02611%0.108CC..EExtended strand (participates in β ladder)trans-115.6105.8169.1-58.6177.9000107.2V227 T228 P247 E249 H266 Q267 Y269L206-V227 HydrophobicContact CD1-CG2 4.04Å; L206-T228 HydrophobicContact CD1-CG2 3.41Å; L206-T228 VanDerWaalsContact CD1-CG2 3.41Å; L206-P247 HydrophobicContact CB-CB 4Å; L206-P247 HydrophobicContact CB-CG 4.37Å; L206-P247 HydrophobicContact CD2-CB 4.36Å; L206-P247 HydrophobicContact CD2-CG 4.05Å; L206-E249 HydrophobicContact CD2-CB 4.14Å; L206-E249 HydrophobicContact CD2-CG 4.04Å; L206-H266 CarbonylContact O-C 3.58Å; L206-H266 WeakPolarHBondContact O-CA 3.45Å; L206-H266 WeakPolarHBondContact O-CB 3.12Å; L206-Q267 HydrophobicContact CB-CB 4.39Å; L206-Q267 PolarHBondContact N-O 3.28Å; L206-Q267 PolarHBondContact O-N 2.91Å; L206-Y269 HydrophobicContact CD1-CE2 4.3Å
207L97.5Very high96.9Very high0 Ų024.5 Ų24.50%012%0.12CC..EExtended strand (participates in β ladder)trans-105.2129.9-176.5-81.878.3000110.7P51 W205 P247 L248 I250 I258 W264 H266P51-L207 HydrophobicContact CB-CD2 4.24Å; W205-L207 HydrophobicContact CB-CD1 3.39Å; W205-L207 HydrophobicContact CE3-CD1 4.23Å; W205-L207 HydrophobicContact CG-CD1 4.27Å; L207-P247 WeakPolarHBondContact O-CA 3.24Å; L207-L248 HydrophobicContact CB-CB 4.16Å; L207-L248 PolarHBondContact N-O 3.24Å; L207-L248 PolarHBondContact O-N 2.72Å; L207-I250 HydrophobicContact CD1-CD1 4.21Å; L207-I258 HydrophobicContact CD1-CD1 4.1Å; L207-I258 HydrophobicContact CD2-CD1 4.3Å; L207-W264 HydrophobicContact CB-CE3 4.05Å; L207-W264 HydrophobicContact CB-CZ3 4.36Å; L207-W264 HydrophobicContact CD2-CE3 4.25Å; L207-H266 HydrophobicContact CD1-CB 4.44Å; L207-H266 HydrophobicContact CG-CB 4.07Å
208Y96.3Very high96.7Very high17 Ų1725.8 Ų25.87%0.06713%0.127CC..EExtended strand (participates in β ladder)trans-112.4129174.1-73.2-95.7000109.8F185 Q212 L216 V227 C245 P247 W264 H265F185-Y208 HydrophobicContact CD2-CD2 4.41Å; F185-Y208 AromaticContact CE2-CD2 3.4Å; F185-Y208 HydrophobicContact CE2-CD2 3.4Å; F185-Y208 AromaticContact CE2-CE2 3.99Å; F185-Y208 HydrophobicContact CE2-CE2 3.99Å; F185-Y208 HydrophobicContact CE2-CG 4.07Å; F185-Y208 AromaticContact CZ-CD2 3.74Å; F185-Y208 HydrophobicContact CZ-CD2 3.74Å; F185-Y208 HydrophobicContact CZ-CE2 4.33Å; F185-Y208 HydrophobicContact CZ-CG 4.01Å; Y208-Q212 HydrophobicContact CD1-CB 4.08Å; Y208-L216 HydrophobicContact CD1-CD1 3.82Å; Y208-L216 HydrophobicContact CD2-CD1 4.42Å; Y208-L216 HydrophobicContact CE1-CD1 3.65Å; Y208-L216 HydrophobicContact CE2-CD1 4.24Å; Y208-L216 HydrophobicContact CG-CD1 4.19Å; Y208-V227 HydrophobicContact CE2-CB 4.37Å; Y208-V227 HydrophobicContact CE2-CG1 4.43Å; Y208-V227 HydrophobicContact CE2-CG2 4.05Å; Y208-C245 WeakPolarHBondContact CE1-O 3.47Å; Y208-P247 HydrophobicContact CD2-CB 3.98Å; Y208-P247 HydrophobicContact CE1-CB 4.17Å; Y208-P247 HydrophobicContact CE2-CB 3.51Å; Y208-P247 HydrophobicContact CE2-CG 4.06Å; Y208-P247 WeakPolarHBondContact OH-CD 3.42Å; Y208-W264 WeakPolarHBondContact O-CA 3.44Å; Y208-H265 PolarHBondContact N-O 2.76Å; Y208-H265 PolarHBondContact O-N 3.28Å
209P94.6Very high96.6Very high2 Ų229.1 Ų29.11%0.01315%0.15CC..  trans-60.1151.1173.5-21.330.3000112.5Y20 F23 G211 Q212 W264Y20-P209 HydrophobicContact CD2-CB 4.3Å; Y20-P209 HydrophobicContact CG-CB 3.97Å; F23-P209 HydrophobicContact CB-CG 3.8Å; P209-G211 PolarHBondContact O-N 3.4Å; P209-Q212 HydrophobicContact CB-CG 4.42Å; P209-Q212 WeakPolarHBondContact O-CB 3.03Å; P209-Q212 WeakPolarHBondContact O-CG 3.14Å; P209-Q212 PolarHBondContact O-N 3.34Å; P209-Q212 VanDerWaalsContact O-N 3.13Å; P209-W264 HydrophobicContact CB-CH2 4.08Å; P209-W264 HydrophobicContact CB-CZ2 4.24Å; P209-W264 HydrophobicContact CB-CZ3 4.21Å; P209-W264 HydrophobicContact CG-CE3 4.45Å; P209-W264 HydrophobicContact CG-CH2 3.82Å; P209-W264 HydrophobicContact CG-CZ2 4.47Å; P209-W264 HydrophobicContact CG-CZ3 3.8Å
210P94.1Very high96.3Very high37 Ų3736.4 Ų36.424%0.2418%0.184CC..THydrogen-bonded Turntrans-52.3134.7176.4-24.831.1000112.6Y20 W264Y20-P210 HydrophobicContact CD2-CB 4.42Å; Y20-P210 HydrophobicContact CD2-CG 4.28Å; Y20-P210 HydrophobicContact CE2-CB 4.03Å; Y20-P210 HydrophobicContact CE2-CG 3.76Å; P210-W264 HydrophobicContact CG-CG 4.39Å
211G93.2Very high96Very high33 Ų3338.1 Ų38.134%0.3420%0.202SC..THydrogen-bonded Turntrans97.1-21.7-175.800000114.1P209 E213 E214P209-G211 PolarHBondContact O-N 3.4Å; G211-E213 VanDerWaalsContact C-N 3.3Å; G211-E213 WeakPolarHBondContact CA-OE2 3.4Å; G211-E213 VanDerWaalsContact N-CD 3.3Å; G211-E213 PolarHBondContact N-OE1 3.49Å; G211-E213 PolarHBondContact N-OE2 2.89Å; G211-E213 PolarHBondContact O-N 3.43Å; G211-E214 PolarHBondContact O-N 2.89Å
212Q95.1Very high95.7Very high30 Ų3041.4 Ų41.414%0.1422%0.218CC..G310 helixtrans-73.6-23.8178.4-64.1-62-56.100112.9Y208 P209 E214 F215Y208-Q212 HydrophobicContact CD1-CB 4.08Å; P209-Q212 HydrophobicContact CB-CG 4.42Å; P209-Q212 WeakPolarHBondContact O-CB 3.03Å; P209-Q212 WeakPolarHBondContact O-CG 3.14Å; P209-Q212 PolarHBondContact O-N 3.34Å; P209-Q212 VanDerWaalsContact O-N 3.13Å; Q212-E214 PolarHBondContact O-N 3.45Å; Q212-F215 PolarHBondContact O-N 3Å
213E95.2Very high95.6Very high21 Ų2139.1 Ų39.110%0.09821%0.212CC..G310 helixtrans-57.9-29.1174.665.5-84.5-163.800113.5F185 G211 F215 L216 R217 L223 H265F185-E213 HydrophobicContact CE1-CB 4.46Å; G211-E213 VanDerWaalsContact C-N 3.3Å; G211-E213 WeakPolarHBondContact CA-OE2 3.4Å; G211-E213 VanDerWaalsContact N-CD 3.3Å; G211-E213 PolarHBondContact N-OE1 3.49Å; G211-E213 PolarHBondContact N-OE2 2.89Å; G211-E213 PolarHBondContact O-N 3.43Å; E213-F215 VanDerWaalsContact C-N 3.26Å; E213-F215 PolarHBondContact O-N 3.21Å; E213-L216 CarbonylContact O-C 3.58Å; E213-L216 WeakPolarHBondContact O-CA 3.45Å; E213-L216 PolarHBondContact O-N 2.86Å; E213-R217 PolarHBondContact O-N 3.3Å; E213-L223 HydrophobicContact CB-CD1 3.81Å; E213-H265 HydrophobicContact CB-CB 4.49Å; E213-H265 VanDerWaalsContact CD-ND1 3.29Å; E213-H265 WeakPolarHBondContact CG-CE1 3.4Å; E213-H265 IonicContact OE1-CE1 3.85Å; E213-H265 PolarHBondContact OE1-CE1 3.03Å; E213-H265 IonicContact OE1-ND1 2.67Å; E213-H265 IonicContact OE2-CE1 3.91Å; E213-H265 IonicContact OE2-ND1 2.73Å; E213-H265 PolarHBondContact OE2-ND1 2.79Å
214E95.3Very high95.4Very high94 Ų9439.1 Ų39.144%0.43921%0.212SC..G310 helixtrans-67.5-31.7-177-63.5-56.8126.600111.3G211 Q212 L216 R217G211-E214 PolarHBondContact O-N 2.89Å; Q212-E214 PolarHBondContact O-N 3.45Å; E214-L216 VanDerWaalsContact C-N 3.25Å; E214-L216 PolarHBondContact O-N 2.67Å; E214-R217 IonicContact OE1-CZ 3.12Å; E214-R217 IonicContact OE1-NE 3.23Å; E214-R217 PolarHBondContact OE1-NE 2.96Å; E214-R217 IonicContact OE1-NH2 3.38Å; E214-R217 PolarHBondContact OE1-NH2 2.8Å; E214-R217 WeakPolarHBondContact OE2-CD 3.29Å; E214-R217 IonicContact OE2-CZ 2.67Å; E214-R217 IonicContact OE2-NE 3.6Å; E214-R217 PolarHBondContact OE2-NE 2.77Å
215F96.4Very high95.3Very high56 Ų5638.5 Ų38.525%0.24621%0.209CC..G310 helixtrans-76.9-14.4173.5-55.1-53.8000113Q212 E213 H240 C241 E243 A244Q212-F215 PolarHBondContact O-N 3Å; E213-F215 VanDerWaalsContact C-N 3.26Å; E213-F215 PolarHBondContact O-N 3.21Å; F215-H240 HydrophobicContact CB-CB 4.4Å; F215-H240 HydrophobicContact CD1-CB 4.11Å; F215-H240 CarbonylContact O-C 3.5Å; F215-C241 WeakPolarHBondContact O-CA 3.47Å; F215-C241 PolarHBondContact O-N 3.23Å; F215-E243 HydrophobicContact CB-CB 4.43Å; F215-E243 HydrophobicContact CD1-CB 3.61Å; F215-E243 HydrophobicContact CD2-CB 4.42Å; F215-E243 HydrophobicContact CE1-CB 3.87Å; F215-E243 HydrophobicContact CG-CB 3.91Å; F215-E243 HydrophobicContact CZ-CB 4.4Å; F215-A244 HydrophobicContact CB-CB 3.8Å
216L96.4Very high95.2Very high5 Ų540 Ų403%0.02622%0.217CC..G310 helixtrans-104.820179.4-59.7173.3000111.8F185 Y208 E213 E214 A224 V227 A244F185-L216 HydrophobicContact CE1-CB 4.18Å; F185-L216 HydrophobicContact CE1-CD1 3.71Å; F185-L216 HydrophobicContact CZ-CD1 3.71Å; Y208-L216 HydrophobicContact CD1-CD1 3.82Å; Y208-L216 HydrophobicContact CD2-CD1 4.42Å; Y208-L216 HydrophobicContact CE1-CD1 3.65Å; Y208-L216 HydrophobicContact CE2-CD1 4.24Å; Y208-L216 HydrophobicContact CG-CD1 4.19Å; E213-L216 CarbonylContact O-C 3.58Å; E213-L216 WeakPolarHBondContact O-CA 3.45Å; E213-L216 PolarHBondContact O-N 2.86Å; E214-L216 VanDerWaalsContact C-N 3.25Å; E214-L216 PolarHBondContact O-N 2.67Å; L216-A224 HydrophobicContact CB-CB 4.41Å; L216-A224 VanDerWaalsContact O-CB 3.26Å; L216-A224 WeakPolarHBondContact O-CB 3Å; L216-A224 PolarHBondContact O-N 2.79Å; L216-V227 HydrophobicContact CD1-CG1 4.07Å; L216-A244 HydrophobicContact CD2-CB 3.83Å; L216-A244 HydrophobicContact CG-CB 4.07Å
217R96.1Very high95.1Very high66 Ų6640.4 Ų40.425%0.24922%0.22CC..BIsolated β-bridgetrans-89.4144.7169.1-67.1-179-176.9-71.3-8.9111E213 E214 G221 N222 F238E213-R217 PolarHBondContact O-N 3.3Å; E214-R217 IonicContact OE1-CZ 3.12Å; E214-R217 IonicContact OE1-NE 3.23Å; E214-R217 PolarHBondContact OE1-NE 2.96Å; E214-R217 IonicContact OE1-NH2 3.38Å; E214-R217 PolarHBondContact OE1-NH2 2.8Å; E214-R217 WeakPolarHBondContact OE2-CD 3.29Å; E214-R217 IonicContact OE2-CZ 2.67Å; E214-R217 IonicContact OE2-NE 3.6Å; E214-R217 PolarHBondContact OE2-NE 2.77Å; R217-G221 WeakPolarHBondContact CD-O 3.3Å; R217-G221 PolarHBondContact NH1-O 2.91Å; R217-N222 CarbonylContact C-O 3.38Å; R217-N222 WeakPolarHBondContact CA-O 3.19Å; R217-F238 WeakPolarHBondContact O-CD1 3.28Å
218D95.1Very high95Very high28 Ų2844.1 Ų44.115%0.1524%0.243CC..  trans-72.8173.4170.874.311.4000111.6H220 G221 N222 Q237 F238D218-H220 PolarHBondContact O-N 2.57Å; D218-H220 VanDerWaalsContact OD1-C 3.29Å; D218-H220 VanDerWaalsContact OD1-CA 3.27Å; D218-H220 WeakPolarHBondContact OD1-CA 3.06Å; D218-H220 VanDerWaalsContact OD1-CB 3.31Å; D218-H220 WeakPolarHBondContact OD1-CB 3.24Å; D218-H220 PolarHBondContact OD1-N 3.05Å; D218-G221 PolarHBondContact O-N 2.8Å; D218-G221 PolarHBondContact OD1-N 3.26Å; D218-N222 PolarHBondContact N-O 2.96Å; D218-N222 PolarHBondContact OD1-N 3.38Å; D218-N222 PolarHBondContact OD1-ND2 3.39Å; D218-N222 WeakPolarHBondContact OD2-CB 3.42Å; D218-N222 PolarHBondContact OD2-ND2 2.86Å; D218-Q237 CarbonylContact C-O 3.54Å; D218-Q237 VanDerWaalsContact C-O 3.3Å; D218-Q237 WeakPolarHBondContact CA-O 3.04Å; D218-Q237 HydrophobicContact CB-CG 4.24Å; D218-Q237 WeakPolarHBondContact CB-O 3.49Å; D218-F238 HydrophobicContact CB-CD1 4.31Å; D218-F238 HydrophobicContact CB-CE1 3.86Å; D218-F238 HydrophobicContact CB-CZ 3.96Å
219S94.7Very high94.9Very high69 Ų6944.3 Ų44.348%0.48325%0.247SC..THydrogen-bonded Turntrans-61.3-11.117859.60000114.3Q237S219-Q237 PolarHBondContact N-O 2.92Å
220H92.9Very high94.9Very high154 Ų15449 Ų4971%0.71328%0.278SS*.THydrogen-bonded Turntrans-100.81.7175-58.5-70.6000112.5D218 N222D218-H220 PolarHBondContact O-N 2.57Å; D218-H220 VanDerWaalsContact OD1-C 3.29Å; D218-H220 VanDerWaalsContact OD1-CA 3.27Å; D218-H220 WeakPolarHBondContact OD1-CA 3.06Å; D218-H220 VanDerWaalsContact OD1-CB 3.31Å; D218-H220 WeakPolarHBondContact OD1-CB 3.24Å; D218-H220 PolarHBondContact OD1-N 3.05Å; H220-N222 VanDerWaalsContact C-N 3.33Å
221G92.1Very high94.8Very high38 Ų3852.2 Ų52.239%0.39229%0.29SS..SBendtrans83.33.6-178.800000114.4R217 D218R217-G221 WeakPolarHBondContact CD-O 3.3Å; R217-G221 PolarHBondContact NH1-O 2.91Å; D218-G221 PolarHBondContact O-N 2.8Å; D218-G221 PolarHBondContact OD1-N 3.26Å
222N93.1Very high94.8Very high75 Ų7551.5 Ų51.540%0.40128%0.278SS..PPolyproline II helixtrans-77.2140.2177.8-55.5-65.5000110.4R217 D218 H220R217-N222 CarbonylContact C-O 3.38Å; R217-N222 WeakPolarHBondContact CA-O 3.19Å; D218-N222 PolarHBondContact N-O 2.96Å; D218-N222 PolarHBondContact OD1-N 3.38Å; D218-N222 PolarHBondContact OD1-ND2 3.39Å; D218-N222 WeakPolarHBondContact OD2-CB 3.42Å; D218-N222 PolarHBondContact OD2-ND2 2.86Å; H220-N222 VanDerWaalsContact C-N 3.33Å
223L94.9Very high94.7Very high36 Ų3660.3 Ų60.319%0.18831%0.31CS..BIsolated β-bridgetrans-64140.9173.1-167.967.3000110.8F185 E213 Y225F185-L223 HydrophobicContact CD1-CD1 3.86Å; F185-L223 HydrophobicContact CD1-CD2 3.85Å; F185-L223 HydrophobicContact CD1-CG 3.74Å; F185-L223 HydrophobicContact CE1-CD1 3.69Å; F185-L223 HydrophobicContact CE1-CD2 4.28Å; F185-L223 HydrophobicContact CE1-CG 4.11Å; E213-L223 HydrophobicContact CB-CD1 3.81Å; L223-Y225 PolarHBondContact O-N 3.35Å
224A95.8Very high94.7Very high2 Ų263 Ų632%0.01733%0.325CS..PPolyproline II helixtrans-48.6133.6168.100000111.4F185 L216 V227 I232 F238F185-A224 WeakPolarHBondContact CB-O 3.35Å; F185-A224 HydrophobicContact CD1-CB 4.39Å; L216-A224 HydrophobicContact CB-CB 4.41Å; L216-A224 VanDerWaalsContact O-CB 3.26Å; L216-A224 WeakPolarHBondContact O-CB 3Å; L216-A224 PolarHBondContact O-N 2.79Å; A224-V227 HydrophobicContact CB-CG1 4Å; A224-I232 HydrophobicContact CB-CD1 3.43Å; A224-I232 VanDerWaalsContact CB-CD1 3.43Å; A224-F238 HydrophobicContact CB-CE1 3.97Å; A224-F238 HydrophobicContact CB-CZ 4.35Å
225Y96.1Very high94.6Very high37 Ų3764.7 Ų64.715%0.14533%0.331CS..SBendtrans-81.5-44.7176.5-179.6-105.1000112A96 K97 N100 N102 W182 P184 F185 L223 Q267A96-Y225 PolarHBondContact O-OH 3.12Å; K97-Y225 HydrophobicContact CB-CE1 4.35Å; K97-Y225 HydrophobicContact CB-CE2 4.43Å; K97-Y225 HydrophobicContact CD-CD1 3.99Å; K97-Y225 HydrophobicContact CD-CD2 4Å; K97-Y225 HydrophobicContact CD-CE1 4.14Å; K97-Y225 HydrophobicContact CD-CE2 4.15Å; K97-Y225 HydrophobicContact CD-CG 3.9Å; K97-Y225 HydrophobicContact CG-CD2 4.12Å; K97-Y225 HydrophobicContact CG-CE1 4.27Å; K97-Y225 HydrophobicContact CG-CE2 3.81Å; K97-Y225 HydrophobicContact CG-CG 4.47Å; N100-Y225 HydrophobicContact CB-CD2 4.35Å; N100-Y225 WeakPolarHBondContact O-CD2 3.41Å; N100-Y225 WeakPolarHBondContact O-CE2 3.44Å; N102-Y225 PolarHBondContact ND2-OH 2.7Å; W182-Y225 AromaticContact CH2-CD1 3.84Å; W182-Y225 HydrophobicContact CH2-CD1 3.84Å; W182-Y225 AromaticContact CH2-CE1 3.45Å; W182-Y225 HydrophobicContact CH2-CE1 3.45Å; W182-Y225 VanDerWaalsContact CH2-CE1 3.45Å; W182-Y225 HydrophobicContact CZ2-CD1 4.41Å; W182-Y225 AromaticContact CZ2-CE1 3.62Å; W182-Y225 HydrophobicContact CZ2-CE1 3.62Å; P184-Y225 HydrophobicContact CB-CD2 3.77Å; P184-Y225 HydrophobicContact CB-CE2 3.61Å; P184-Y225 HydrophobicContact CB-CG 4.41Å; P184-Y225 WeakPolarHBondContact CB-O 3.32Å; P184-Y225 HydrophobicContact CG-CD2 3.98Å; P184-Y225 HydrophobicContact CG-CE1 4.26Å; P184-Y225 HydrophobicContact CG-CE2 3.27Å; P184-Y225 VanDerWaalsContact CG-CZ 3.44Å; F185-Y225 PolarHBondContact N-O 3.19Å; F185-Y225 VanDerWaalsContact N-O 3.11Å; L223-Y225 PolarHBondContact O-N 3.35Å; Y225-Q267 PolarHBondContact O-OE1 3.16Å
226D96.2Very high94.5Very high36 Ų3667.8 Ų67.819%0.19335%0.354CS..  trans-128.2109.6173.2-178.7-9.5000109.1W182 T228 A229 I232 Q267 Y269W182-D226 HydrophobicContact CH2-CB 3.91Å; W182-D226 HydrophobicContact CZ3-CB 4.12Å; D226-T228 PolarHBondContact O-N 3.36Å; D226-T228 WeakPolarHBondContact OD1-CA 3.16Å; D226-T228 WeakPolarHBondContact OD1-CB 3.37Å; D226-T228 PolarHBondContact OD1-N 3.23Å; D226-T228 PolarHBondContact OD1-OG1 3.25Å; D226-T228 PolarHBondContact OD2-OG1 3.35Å; D226-A229 HydrophobicContact CB-CB 3.91Å; D226-A229 WeakPolarHBondContact O-CB 3.23Å; D226-A229 PolarHBondContact O-N 3.07Å; D226-A229 PolarHBondContact OD1-N 3.11Å; D226-I232 WeakPolarHBondContact O-CG1 3.41Å; D226-Q267 VanDerWaalsContact CA-OE1 3.3Å; D226-Q267 PolarHBondContact OD1-NE2 3.02Å; D226-Y269 PolarHBondContact OD1-OH 3.32Å; D226-Y269 VanDerWaalsContact OD1-OH 3.11Å; D226-Y269 PolarHBondContact OD2-OH 2.96Å
227V96.1Very high94.5Very high13 Ų1371 Ų718%0.07937%0.369CS..THydrogen-bonded Turntrans-70.7-9.3-178.9-67.10000113.9F185 L206 Y208 L216 A224 Q267F185-V227 HydrophobicContact CB-CG1 3.83Å; F185-V227 HydrophobicContact CD1-CG1 3.44Å; F185-V227 VanDerWaalsContact CD1-CG1 3.44Å; F185-V227 HydrophobicContact CD2-CG1 3.81Å; F185-V227 HydrophobicContact CD2-CG2 4.47Å; F185-V227 HydrophobicContact CE1-CG1 3.81Å; F185-V227 HydrophobicContact CE2-CG1 4.16Å; F185-V227 HydrophobicContact CG-CG1 3.43Å; F185-V227 VanDerWaalsContact CG-CG1 3.43Å; F185-V227 HydrophobicContact CZ-CG1 4.16Å; L206-V227 HydrophobicContact CD1-CG2 4.04Å; Y208-V227 HydrophobicContact CE2-CB 4.37Å; Y208-V227 HydrophobicContact CE2-CG1 4.43Å; Y208-V227 HydrophobicContact CE2-CG2 4.05Å; L216-V227 HydrophobicContact CD1-CG1 4.07Å; A224-V227 HydrophobicContact CB-CG1 4Å; V227-Q267 HydrophobicContact CG2-CB 4.23Å
228T95.5Very high94.5Very high78 Ų7868.5 Ų68.548%0.47936%0.36SS..THydrogen-bonded Turntrans-98.1-8.5176.272.90000112.9L206 D226 Y269L206-T228 HydrophobicContact CD1-CG2 3.41Å; L206-T228 VanDerWaalsContact CD1-CG2 3.41Å; D226-T228 PolarHBondContact O-N 3.36Å; D226-T228 WeakPolarHBondContact OD1-CA 3.16Å; D226-T228 WeakPolarHBondContact OD1-CB 3.37Å; D226-T228 PolarHBondContact OD1-N 3.23Å; D226-T228 PolarHBondContact OD1-OG1 3.25Å; D226-T228 PolarHBondContact OD2-OG1 3.35Å; T228-Y269 HydrophobicContact CG2-CE2 4.47Å; T228-Y269 PolarHBondContact OG1-OH 3.02Å; T228-Y269 VanDerWaalsContact OG1-OH 3.06Å
229A95.1Very high94.5Very high20 Ų2070.3 Ų70.317%0.16537%0.373CS..SBendtrans-70.2145-175.300000111.3D226 E231 I232D226-A229 HydrophobicContact CB-CB 3.91Å; D226-A229 WeakPolarHBondContact O-CB 3.23Å; D226-A229 PolarHBondContact O-N 3.07Å; D226-A229 PolarHBondContact OD1-N 3.11Å; A229-E231 WeakPolarHBondContact CB-OE2 3.32Å; A229-E231 PolarHBondContact O-N 2.88Å; A229-E231 VanDerWaalsContact O-N 3.13Å; A229-I232 WeakPolarHBondContact O-CB 3.5Å; A229-I232 WeakPolarHBondContact O-CG1 3.32Å; A229-I232 PolarHBondContact O-N 3.49Å; A229-I232 VanDerWaalsContact O-N 3.16Å
230P93.6Very high94.5Very high102 Ų10271.4 Ų71.466%0.66237%0.371SS*.G310 helixtrans-57.9-29.1-176.5-24.434.4000113.9I232 R233P230-I232 PolarHBondContact O-N 3.03Å; P230-R233 PolarHBondContact O-N 3.26Å; P230-R233 VanDerWaalsContact O-N 3.08Å
231E92.6Very high94.5Very high103 Ų10364.8 Ų64.848%0.48134%0.341SS..G310 helixtrans-62.1-25.3-178.2-58.675.3-157.900112.2A229 R233 D234 F238A229-E231 WeakPolarHBondContact CB-OE2 3.32Å; A229-E231 PolarHBondContact O-N 2.88Å; A229-E231 VanDerWaalsContact O-N 3.13Å; E231-R233 PolarHBondContact O-N 3.38Å; E231-R233 VanDerWaalsContact O-N 3.07Å; E231-D234 WeakPolarHBondContact O-CB 3.43Å; E231-D234 PolarHBondContact O-N 3.02Å; E231-F238 WeakPolarHBondContact O-CD2 3.33Å
232I93Very high94.6Very high19 Ų1968.5 Ų68.510%0.09735%0.353CS..G310 helixtrans-58.6-23.3175.3-63.2-69.9000112.1A224 D226 A229 P230 F238 C241A224-I232 HydrophobicContact CB-CD1 3.43Å; A224-I232 VanDerWaalsContact CB-CD1 3.43Å; D226-I232 WeakPolarHBondContact O-CG1 3.41Å; A229-I232 WeakPolarHBondContact O-CB 3.5Å; A229-I232 WeakPolarHBondContact O-CG1 3.32Å; A229-I232 PolarHBondContact O-N 3.49Å; A229-I232 VanDerWaalsContact O-N 3.16Å; P230-I232 PolarHBondContact O-N 3.03Å; I232-F238 HydrophobicContact CD1-CD1 4.09Å; I232-F238 HydrophobicContact CD1-CD2 4.23Å; I232-F238 HydrophobicContact CD1-CE1 3.72Å; I232-F238 HydrophobicContact CD1-CE2 3.87Å; I232-F238 HydrophobicContact CD1-CG 4.34Å; I232-F238 HydrophobicContact CD1-CZ 3.61Å; I232-C241 HydrophobicContact CG2-CB 4.32Å; I232-C241 VanDerWaalsContact O-CB 3.3Å; I232-C241 WeakPolarHBondContact O-CB 3.14Å; I232-C241 PolarHBondContact O-SG 3.41Å; I232-C241 VanDerWaalsContact O-SG 3.38Å
233R92.4Very high94.6Very high215 Ų21570.3 Ų70.381%0.81136%0.358SS*.G310 helixtrans-88.1-4.9178.2-59-177.1-179.2-176.2-0.9113.6P230 E231 K235P230-R233 PolarHBondContact O-N 3.26Å; P230-R233 VanDerWaalsContact O-N 3.08Å; E231-R233 PolarHBondContact O-N 3.38Å; E231-R233 VanDerWaalsContact O-N 3.07Å; R233-K235 PolarHBondContact O-N 3.29Å
234D95.2Very high94.6Very high78 Ų7869.3 Ų69.342%0.41736%0.355SS..  trans-74.5106.4173.3-173.9-20.9000109.3E231 V236 Q237 F238E231-D234 WeakPolarHBondContact O-CB 3.43Å; E231-D234 PolarHBondContact O-N 3.02Å; D234-V236 PolarHBondContact O-N 3.03Å; D234-V236 WeakPolarHBondContact OD1-CA 2.85Å; D234-V236 VanDerWaalsContact OD1-CB 3.32Å; D234-V236 WeakPolarHBondContact OD1-CB 3.14Å; D234-V236 PolarHBondContact OD1-N 3.13Å; D234-Q237 HydrophobicContact CB-CB 4.07Å; D234-Q237 PolarHBondContact O-N 3.26Å; D234-Q237 PolarHBondContact OD1-N 3.28Å; D234-F238 PolarHBondContact O-N 2.7Å
235K93.8Very high94.4Very high129 Ų12970 Ų7056%0.56136%0.36SS*.THydrogen-bonded Turntrans-67.3-14.5-178.9-61.4-169174-156.20114.3R233 P239 D242R233-K235 PolarHBondContact O-N 3.29Å; K235-P239 VanDerWaalsContact O-CA 3.27Å; K235-P239 WeakPolarHBondContact O-CA 3.37Å; K235-D242 WeakPolarHBondContact CE-OD2 3.49Å; K235-D242 IonicContact NZ-OD2 3.88Å; K235-D242 PolarHBondContact NZ-OD2 3.26Å
236V94.8Very high94.2Very high121 Ų12174.6 Ų74.673%0.73338%0.383SS*.THydrogen-bonded Turntrans-78.5-42.7171.5-178.90000109.3D234D234-V236 PolarHBondContact O-N 3.03Å; D234-V236 WeakPolarHBondContact OD1-CA 2.85Å; D234-V236 VanDerWaalsContact OD1-CB 3.32Å; D234-V236 WeakPolarHBondContact OD1-CB 3.14Å; D234-V236 PolarHBondContact OD1-N 3.13Å
237Q94.9Very high94.2Very high73 Ų7373.6 Ų73.634%0.34138%0.378SS..THydrogen-bonded Turntrans-78.6-42.6-179.5-168174.913.500112.4D218 S219 D234 P239D218-Q237 CarbonylContact C-O 3.54Å; D218-Q237 VanDerWaalsContact C-O 3.3Å; D218-Q237 WeakPolarHBondContact CA-O 3.04Å; D218-Q237 HydrophobicContact CB-CG 4.24Å; D218-Q237 WeakPolarHBondContact CB-O 3.49Å; S219-Q237 PolarHBondContact N-O 2.92Å; D234-Q237 HydrophobicContact CB-CB 4.07Å; D234-Q237 PolarHBondContact O-N 3.26Å; D234-Q237 PolarHBondContact OD1-N 3.28Å; Q237-P239 WeakPolarHBondContact O-CD 3.46Å
238F96.3Very high94.1Very high12 Ų1273 Ų735%0.05338%0.375CS..SBendtrans-122.577.9-179.9-66.7-88.8000109.8R217 D218 A224 E231 I232 D234 H240 C241R217-F238 WeakPolarHBondContact O-CD1 3.28Å; D218-F238 HydrophobicContact CB-CD1 4.31Å; D218-F238 HydrophobicContact CB-CE1 3.86Å; D218-F238 HydrophobicContact CB-CZ 3.96Å; A224-F238 HydrophobicContact CB-CE1 3.97Å; A224-F238 HydrophobicContact CB-CZ 4.35Å; E231-F238 WeakPolarHBondContact O-CD2 3.33Å; I232-F238 HydrophobicContact CD1-CD1 4.09Å; I232-F238 HydrophobicContact CD1-CD2 4.23Å; I232-F238 HydrophobicContact CD1-CE1 3.72Å; I232-F238 HydrophobicContact CD1-CE2 3.87Å; I232-F238 HydrophobicContact CD1-CG 4.34Å; I232-F238 HydrophobicContact CD1-CZ 3.61Å; D234-F238 PolarHBondContact O-N 2.7Å; F238-H240 PolarHBondContact O-N 2.92Å; F238-H240 VanDerWaalsContact O-N 3.13Å; F238-C241 HydrophobicContact CB-CB 3.96Å; F238-C241 PolarHBondContact O-N 3.3Å; F238-C241 PolarHBondContact O-SG 3.19Å
239P95.6Very high94.1Very high66 Ų6673.9 Ų73.943%0.42937%0.373SS..THydrogen-bonded Turntrans-63.1-23.1-171.623.1-33.4000114.5K235 Q237K235-P239 VanDerWaalsContact O-CA 3.27Å; K235-P239 WeakPolarHBondContact O-CA 3.37Å; Q237-P239 WeakPolarHBondContact O-CD 3.46Å
240H95.5Very high94.3Very high92 Ų9273.3 Ų73.343%0.42637%0.368SS..THydrogen-bonded Turntrans-108.47.4-175.1-60.5-66.6000113.8F215 F238 D242 E243F215-H240 HydrophobicContact CB-CB 4.4Å; F215-H240 HydrophobicContact CD1-CB 4.11Å; F215-H240 CarbonylContact O-C 3.5Å; F238-H240 PolarHBondContact O-N 2.92Å; F238-H240 VanDerWaalsContact O-N 3.13Å; H240-D242 PolarHBondContact O-N 3.07Å; H240-D242 VanDerWaalsContact O-N 3.11Å; H240-E243 IonicContact CE1-OE1 2.78Å; H240-E243 IonicContact CG-OE1 3.68Å; H240-E243 IonicContact ND1-OE1 3.6Å; H240-E243 PolarHBondContact ND1-OE1 3.11Å; H240-E243 WeakPolarHBondContact O-CB 3.37Å; H240-E243 PolarHBondContact O-N 2.87Å
241C93Very high94.5Very high15 Ų1571.3 Ų71.310%0.10135%0.351CS..G310 helixtrans-57-34.2-172.165.20000114.1F215 I232 F238 E243 A244F215-C241 WeakPolarHBondContact O-CA 3.47Å; F215-C241 PolarHBondContact O-N 3.23Å; I232-C241 HydrophobicContact CG2-CB 4.32Å; I232-C241 VanDerWaalsContact O-CB 3.3Å; I232-C241 WeakPolarHBondContact O-CB 3.14Å; I232-C241 PolarHBondContact O-SG 3.41Å; I232-C241 VanDerWaalsContact O-SG 3.38Å; F238-C241 HydrophobicContact CB-CB 3.96Å; F238-C241 PolarHBondContact O-N 3.3Å; F238-C241 PolarHBondContact O-SG 3.19Å; C241-E243 PolarHBondContact O-N 3.44Å; C241-A244 WeakPolarHBondContact O-CB 3.29Å; C241-A244 PolarHBondContact O-N 2.72Å
242D93.1Very high94.7Very high117 Ų11766.4 Ų66.463%0.62633%0.328SS*.G310 helixtrans-72.8-13-178.7-69.2-16.8000112.7K235 H240K235-D242 WeakPolarHBondContact CE-OD2 3.49Å; K235-D242 IonicContact NZ-OD2 3.88Å; K235-D242 PolarHBondContact NZ-OD2 3.26Å; H240-D242 PolarHBondContact O-N 3.07Å; H240-D242 VanDerWaalsContact O-N 3.11Å
243E94.3Very high95Very high112 Ų11268.9 Ų68.952%0.52334%0.339SS..G310 helixtrans-85-19.6175.8-59.2178.7-123.500112.1F215 H240 C241F215-E243 HydrophobicContact CB-CB 4.43Å; F215-E243 HydrophobicContact CD1-CB 3.61Å; F215-E243 HydrophobicContact CD2-CB 4.42Å; F215-E243 HydrophobicContact CE1-CB 3.87Å; F215-E243 HydrophobicContact CG-CB 3.91Å; F215-E243 HydrophobicContact CZ-CB 4.4Å; H240-E243 IonicContact CE1-OE1 2.78Å; H240-E243 IonicContact CG-OE1 3.68Å; H240-E243 IonicContact ND1-OE1 3.6Å; H240-E243 PolarHBondContact ND1-OE1 3.11Å; H240-E243 WeakPolarHBondContact O-CB 3.37Å; H240-E243 PolarHBondContact O-N 2.87Å; C241-E243 PolarHBondContact O-N 3.44Å
244A93.4Very high95.3Very high15 Ų1560.6 Ų60.612%0.12432%0.317CS..SBendtrans-68.1138.5175.800000111F215 L216 C241F215-A244 HydrophobicContact CB-CB 3.8Å; L216-A244 HydrophobicContact CD2-CB 3.83Å; L216-A244 HydrophobicContact CG-CB 4.07Å; C241-A244 WeakPolarHBondContact O-CB 3.29Å; C241-A244 PolarHBondContact O-N 2.72Å
245C92.7Very high95.4Very high17 Ų1756.9 Ų56.912%0.11530%0.297CS..PPolyproline II helixtrans-68.2166.6170.176.40000111.2C24 Y208C24-C245 HydrophobicContact CB-CB 3.52Å; Y208-C245 WeakPolarHBondContact CE1-O 3.47Å
246Q92.3Very high95.7Very high133 Ų13351.7 Ų51.762%0.62127%0.274SS*.PPolyproline II helixtrans-69.3145.5167.6-65-57.6-62.600110.1
247P94.4Very high95.9Very high15 Ų1546 Ų4610%0.09724%0.239CC..PPolyproline II helixtrans-67.1148.9175.623.8-28.1000111.1L206 L207 Y208 E249L206-P247 HydrophobicContact CB-CB 4Å; L206-P247 HydrophobicContact CB-CG 4.37Å; L206-P247 HydrophobicContact CD2-CB 4.36Å; L206-P247 HydrophobicContact CD2-CG 4.05Å; L207-P247 WeakPolarHBondContact O-CA 3.24Å; Y208-P247 HydrophobicContact CD2-CB 3.98Å; Y208-P247 HydrophobicContact CE1-CB 4.17Å; Y208-P247 HydrophobicContact CE2-CB 3.51Å; Y208-P247 HydrophobicContact CE2-CG 4.06Å; Y208-P247 WeakPolarHBondContact OH-CD 3.42Å; P247-E249 PolarHBondContact O-N 2.67Å; P247-E249 VanDerWaalsContact O-N 3.09Å
248L95.3Very high96Very high2 Ų242.5 Ų42.51%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-68.6104.6159.3177.864.4000108.3H27 V29 P51 L207 I250H27-L248 VanDerWaalsContact C-CD1 3.42Å; H27-L248 WeakPolarHBondContact O-CD1 3.4Å; V29-L248 HydrophobicContact CB-CD2 4.22Å; P51-L248 HydrophobicContact CG-CD2 3.94Å; L207-L248 HydrophobicContact CB-CB 4.16Å; L207-L248 PolarHBondContact N-O 3.24Å; L207-L248 PolarHBondContact O-N 2.72Å; L248-I250 HydrophobicContact CD2-CD1 3.92Å; L248-I250 HydrophobicContact CD2-CG1 4.44Å; L248-I250 HydrophobicContact CG-CD1 4.01Å; L248-I250 HydrophobicContact CG-CG1 3.99Å
249E96Very high96.1Very high95 Ų9541.9 Ų41.944%0.44422%0.221SC..EExtended strand (participates in β ladder)trans-86.9121.8177.4-177.7168.4150.700110.8K204 W205 L206 P247K204-E249 VanDerWaalsContact CE-OE1 3.25Å; K204-E249 WeakPolarHBondContact CE-OE1 3.4Å; K204-E249 VanDerWaalsContact CE-OE2 3.29Å; K204-E249 WeakPolarHBondContact CE-OE2 3.27Å; K204-E249 HydrophobicContact CG-CG 4.46Å; K204-E249 IonicContact NZ-OE1 3.29Å; K204-E249 PolarHBondContact NZ-OE1 3.38Å; K204-E249 IonicContact NZ-OE2 3.95Å; K204-E249 PolarHBondContact NZ-OE2 3.33Å; W205-E249 WeakPolarHBondContact O-CA 3.48Å; L206-E249 HydrophobicContact CD2-CB 4.14Å; L206-E249 HydrophobicContact CD2-CG 4.04Å; P247-E249 PolarHBondContact O-N 2.67Å; P247-E249 VanDerWaalsContact O-N 3.09Å
250I97.3Very high96.3Very high9 Ų938.8 Ų38.85%0.04620%0.2CC..EExtended strand (participates in β ladder)trans-126.1129.4-178.7-57.6172.2000109.5V29 M53 K204 W205 L207 L248 I258V29-I250 HydrophobicContact CB-CD1 4.13Å; V29-I250 HydrophobicContact CG1-CD1 4Å; V29-I250 HydrophobicContact CG1-CG1 4.13Å; V29-I250 HydrophobicContact CG2-CD1 4.08Å; M53-I250 HydrophobicContact CE-CG2 4.04Å; M53-I250 HydrophobicContact CG-CG2 4.24Å; M53-I250 HydrophobicContact SD-CG2 3.75Å; K204-I250 CarbonylContact C-O 3.58Å; K204-I250 WeakPolarHBondContact CA-O 3.4Å; W205-I250 HydrophobicContact CB-CB 4.29Å; W205-I250 PolarHBondContact N-O 3.15Å; W205-I250 PolarHBondContact O-N 2.95Å; L207-I250 HydrophobicContact CD1-CD1 4.21Å; L248-I250 HydrophobicContact CD2-CD1 3.92Å; L248-I250 HydrophobicContact CD2-CG1 4.44Å; L248-I250 HydrophobicContact CG-CD1 4.01Å; L248-I250 HydrophobicContact CG-CG1 3.99Å; I250-I258 HydrophobicContact CD1-CD1 3.87Å
251I98Very high96.3Very high60 Ų6034.4 Ų34.431%0.30818%0.18SC..EExtended strand (participates in β ladder)trans-95.9115.8164.8-55.5-57.4000108K203 K204 E253 L271K203-I251 CarbonylContact O-C 3.47Å; K203-I251 WeakPolarHBondContact O-CA 3.49Å; K204-I251 HydrophobicContact CB-CD1 3.8Å; K204-I251 HydrophobicContact CD-CD1 4.34Å; K204-I251 HydrophobicContact CG-CD1 4.01Å; I251-E253 WeakPolarHBondContact CG2-OE1 3.42Å; I251-L271 HydrophobicContact CD1-CD1 3.96Å
252Q98.6Very high96.6Very high0 Ų033.8 Ų33.80%018%0.176CC..EExtended strand (participates in β ladder)trans-96118.7174.9178.4-177.228.600109.2M53 S196 N198 R202 K203 E256M53-Q252 HydrophobicContact CE-CB 4.01Å; M53-Q252 HydrophobicContact CE-CG 3.97Å; S196-Q252 PolarHBondContact O-NE2 3.32Å; N198-Q252 HydrophobicContact CB-CG 3.81Å; N198-Q252 PolarHBondContact ND2-O 3.03Å; R202-Q252 WeakPolarHBondContact CA-O 3.24Å; K203-Q252 HydrophobicContact CB-CB 4.29Å; K203-Q252 PolarHBondContact N-O 2.92Å; K203-Q252 PolarHBondContact O-N 3.29Å; Q252-E256 HydrophobicContact CG-CB 4.04Å; Q252-E256 PolarHBondContact NE2-O 3.22Å
253E98.6Very high96.7Very high71 Ų7128.7 Ų28.733%0.33215%0.151SC..PPolyproline II helixtrans-87.4171.4179.5-61.8-63.1161.600111.8N198 R202 I251 G255 E256N198-E253 PolarHBondContact ND2-O 3.45Å; N198-E253 VanDerWaalsContact ND2-O 3.16Å; R202-E253 WeakPolarHBondContact CD-OE2 3.39Å; R202-E253 WeakPolarHBondContact CG-OE2 3.49Å; R202-E253 IonicContact CZ-OE1 2.94Å; R202-E253 VanDerWaalsContact CZ-OE1 3.29Å; R202-E253 IonicContact CZ-OE2 3.51Å; R202-E253 VanDerWaalsContact NE-CD 3.32Å; R202-E253 IonicContact NE-OE1 3.74Å; R202-E253 PolarHBondContact NE-OE1 3.31Å; R202-E253 IonicContact NE-OE2 3.84Å; R202-E253 PolarHBondContact NE-OE2 3.5Å; R202-E253 IonicContact NH2-OE1 2.63Å; R202-E253 PolarHBondContact NH2-OE1 3.46Å; I251-E253 WeakPolarHBondContact CG2-OE1 3.42Å; E253-G255 PolarHBondContact O-N 3.46Å; E253-E256 HydrophobicContact CB-CG 4.35Å; E253-E256 PolarHBondContact N-OE2 3.11Å; E253-E256 PolarHBondContact O-N 2.88Å
254A98.5Very high96.8Very high41 Ų4123.4 Ų23.434%0.33913%0.126SC..THydrogen-bonded Turntrans-64127.6-179.600000112.1G201G201-A254 PolarHBondContact O-N 3.04Å
255G98.1Very high97Very high0 Ų022.9 Ų22.90%012%0.121CC..THydrogen-bonded Turntrans93.5-16.5-179.500000115.2R56 T59 R65 N198 E253R56-G255 WeakPolarHBondContact CA-O 3.4Å; T59-G255 WeakPolarHBondContact CG2-O 3.39Å; T59-G255 PolarHBondContact OG1-O 3.04Å; R65-G255 VanDerWaalsContact CZ-CA 3.49Å; N198-G255 WeakPolarHBondContact O-CA 3.45Å; N198-G255 PolarHBondContact O-N 2.74Å; E253-G255 PolarHBondContact O-N 3.46Å
256E98.6Very high97.3Very high20 Ų2022.3 Ų22.39%0.09312%0.117CC..  trans-74.1155.8-176.4-62.2-176.8150.300112.2Y31 M53 F54 A197 N198 Q252 E253Y31-E256 VanDerWaalsContact CE2-OE1 3.26Å; Y31-E256 WeakPolarHBondContact CE2-OE1 3.45Å; Y31-E256 VanDerWaalsContact CZ-OE1 3.26Å; Y31-E256 PolarHBondContact OH-OE1 3.11Å; M53-E256 HydrophobicContact CE-CB 4.18Å; F54-E256 WeakPolarHBondContact O-CA 3.5Å; F54-E256 WeakPolarHBondContact O-CB 3.34Å; A197-E256 WeakPolarHBondContact CA-O 3.4Å; N198-E256 PolarHBondContact N-O 3.43Å; Q252-E256 HydrophobicContact CG-CB 4.04Å; Q252-E256 PolarHBondContact NE2-O 3.22Å; E253-E256 HydrophobicContact CB-CG 4.35Å; E253-E256 PolarHBondContact N-OE2 3.11Å; E253-E256 PolarHBondContact O-N 2.88Å
257I98.7Very high97.6Very high0 Ų016 Ų160%09%0.087CC..EExtended strand (participates in β ladder)trans-116.4130.1173.4-44.3174.2000108.6M53 F54 F58 T59 W62 P151 F154 W195 S196 A197M53-I257 CarbonylContact C-O 3.52Å; M53-I257 WeakPolarHBondContact CA-O 3.36Å; F54-I257 HydrophobicContact CB-CB 3.99Å; F54-I257 HydrophobicContact CB-CG1 4.43Å; F54-I257 HydrophobicContact CD2-CB 4.36Å; F54-I257 HydrophobicContact CG-CB 4.47Å; F54-I257 PolarHBondContact N-O 2.96Å; F54-I257 PolarHBondContact O-N 3.43Å; F58-I257 HydrophobicContact CB-CD1 3.93Å; T59-I257 HydrophobicContact CG2-CD1 3.67Å; T59-I257 HydrophobicContact CG2-CG1 3.65Å; W62-I257 HydrophobicContact CH2-CD1 4.39Å; P151-I257 HydrophobicContact CG-CD1 4.03Å; F154-I257 HydrophobicContact CE2-CD1 4.42Å; F154-I257 HydrophobicContact CE2-CG2 4.07Å; F154-I257 HydrophobicContact CZ-CG2 4.24Å; W195-I257 HydrophobicContact CB-CG2 4.01Å; W195-I257 HydrophobicContact CD2-CG2 4.44Å; W195-I257 HydrophobicContact CE3-CG2 3.94Å; S196-I257 VanDerWaalsContact O-CA 3.3Å; S196-I257 WeakPolarHBondContact O-CA 3.23Å; A197-I257 HydrophobicContact CB-CG1 3.91Å; A197-I257 HydrophobicContact CB-CG2 4.49Å
258I98.7Very high97.8Very high0 Ų015.6 Ų15.60%09%0.085CC..EExtended strand (participates in β ladder)trans-97135.8166.1-176.1167.2000109.1M53 W195 S196 W205 L207 I250 V260M53-I258 HydrophobicContact CE-CB 4.38Å; M53-I258 HydrophobicContact SD-CB 3.52Å; M53-I258 VanDerWaalsContact SD-CB 3.52Å; M53-I258 HydrophobicContact SD-CD1 4.01Å; M53-I258 HydrophobicContact SD-CG1 3.65Å; W195-I258 CarbonylContact C-O 3.5Å; W195-I258 WeakPolarHBondContact CA-O 3.06Å; W195-I258 WeakPolarHBondContact CB-O 3.36Å; S196-I258 PolarHBondContact N-O 3.3Å; S196-I258 PolarHBondContact O-N 3.28Å; W205-I258 HydrophobicContact CB-CD1 4.44Å; W205-I258 HydrophobicContact CD2-CD1 3.94Å; W205-I258 HydrophobicContact CD2-CG2 4.36Å; W205-I258 HydrophobicContact CE3-CD1 4.21Å; W205-I258 HydrophobicContact CG-CD1 4.02Å; W205-I258 HydrophobicContact CH2-CG2 3.96Å; W205-I258 HydrophobicContact CZ2-CG2 3.56Å; W205-I258 HydrophobicContact CZ3-CG2 4.48Å; L207-I258 HydrophobicContact CD1-CD1 4.1Å; L207-I258 HydrophobicContact CD2-CD1 4.3Å; I250-I258 HydrophobicContact CD1-CD1 3.87Å; I258-V260 HydrophobicContact CD1-CG2 4.33Å; I258-V260 HydrophobicContact CG1-CG2 4.18Å; I258-V260 HydrophobicContact CG2-CG2 4.42Å
259F98.6Very high97.9Very high0 Ų017.6 Ų17.60%09%0.093CC..EExtended strand (participates in β ladder)trans-97.4117.1164169.9-120.5000109.1F41 L46 H50 P51 C52 F54 F154 Y193 P261 W281F41-F259 HydrophobicContact CZ-CD1 4.35Å; F41-F259 HydrophobicContact CZ-CG 4.37Å; L46-F259 HydrophobicContact CD2-CE2 4.09Å; L46-F259 HydrophobicContact CD2-CZ 3.79Å; H50-F259 VanDerWaalsContact O-CD1 3.29Å; H50-F259 WeakPolarHBondContact O-CD1 3.36Å; H50-F259 WeakPolarHBondContact O-CE1 3.35Å; P51-F259 WeakPolarHBondContact CA-O 3.47Å; C52-F259 PolarHBondContact N-O 2.58Å; C52-F259 PolarHBondContact O-N 2.83Å; F54-F259 HydrophobicContact CE2-CB 4.29Å; F154-F259 HydrophobicContact CE1-CB 4.36Å; F154-F259 HydrophobicContact CE1-CD2 4.21Å; Y193-F259 AromaticContact CD1-CE2 3.81Å; Y193-F259 HydrophobicContact CD1-CE2 3.81Å; Y193-F259 AromaticContact CD1-CZ 3.68Å; Y193-F259 HydrophobicContact CD1-CZ 3.68Å; Y193-F259 HydrophobicContact CD2-CE2 4.4Å; Y193-F259 HydrophobicContact CE1-CE2 4.47Å; Y193-F259 AromaticContact CE1-CZ 3.92Å; Y193-F259 HydrophobicContact CE1-CZ 3.92Å; Y193-F259 AromaticContact CG-CE2 3.79Å; Y193-F259 HydrophobicContact CG-CE2 3.79Å; Y193-F259 HydrophobicContact CG-CZ 4.05Å; F259-P261 HydrophobicContact CD1-CG 4.36Å; F259-P261 HydrophobicContact CE1-CB 4.15Å; F259-P261 HydrophobicContact CE1-CG 3.99Å; F259-P261 HydrophobicContact CZ-CB 4.2Å; F259-P261 HydrophobicContact CZ-CG 4.47Å; F259-W281 AromaticContact CD2-CH2 3.73Å; F259-W281 HydrophobicContact CD2-CH2 3.73Å; F259-W281 AromaticContact CD2-CZ2 3.82Å; F259-W281 HydrophobicContact CD2-CZ2 3.82Å; F259-W281 AromaticContact CE2-CH2 3.9Å; F259-W281 HydrophobicContact CE2-CH2 3.9Å; F259-W281 AromaticContact CE2-CZ2 3.6Å; F259-W281 HydrophobicContact CE2-CZ2 3.6Å
260V98.3Very high98.1Very high0 Ų013.2 Ų13.20%07%0.072CC..EExtended strand (participates in β ladder)trans-100114.7175.3-176.40000108.1S194 W205 I258 W264S194-V260 PolarHBondContact N-O 3.13Å; S194-V260 PolarHBondContact O-N 3.16Å; W205-V260 HydrophobicContact CE3-CG2 4.37Å; W205-V260 HydrophobicContact CH2-CG2 4.47Å; W205-V260 HydrophobicContact CZ3-CG2 3.88Å; I258-V260 HydrophobicContact CD1-CG2 4.33Å; I258-V260 HydrophobicContact CG1-CG2 4.18Å; I258-V260 HydrophobicContact CG2-CG2 4.42Å; V260-W264 HydrophobicContact CG1-CB 4.18Å
261P96.9Very high98.1Very high1 Ų115.5 Ų15.51%0.0068%0.084CC..  trans-75.8168.5-178.2-8.624.6000111.8N49 P51 Y193 F259 G263 W264N49-P261 HydrophobicContact CB-CB 4.4Å; N49-P261 WeakPolarHBondContact O-CB 3.4Å; N49-P261 WeakPolarHBondContact OD1-CB 3.42Å; P51-P261 HydrophobicContact CB-CG 3.97Å; Y193-P261 HydrophobicContact CE1-CB 4.43Å; F259-P261 HydrophobicContact CD1-CG 4.36Å; F259-P261 HydrophobicContact CE1-CB 4.15Å; F259-P261 HydrophobicContact CE1-CG 3.99Å; F259-P261 HydrophobicContact CZ-CB 4.2Å; F259-P261 HydrophobicContact CZ-CG 4.47Å; P261-G263 PolarHBondContact O-N 3.23Å; P261-W264 VanDerWaalsContact CB-CD1 3.46Å; P261-W264 HydrophobicContact CB-CG 4.25Å; P261-W264 HydrophobicContact CG-CD2 4.33Å; P261-W264 HydrophobicContact CG-CG 4.16Å; P261-W264 WeakPolarHBondContact O-CB 3.48Å; P261-W264 PolarHBondContact O-N 2.82Å
262S97.4Very high98.2Very high1 Ų115.4 Ų15.41%0.0078%0.082CC..THydrogen-bonded Turntrans-63.9132-175.6169.40000112.2N49 R191 S192 Y193 W264 I289N49-S262 PolarHBondContact ND2-O 3.49Å; N49-S262 WeakPolarHBondContact OD1-CB 3.4Å; N49-S262 PolarHBondContact OD1-N 3.2Å; R191-S262 VanDerWaalsContact O-CB 3.23Å; R191-S262 WeakPolarHBondContact O-CB 3.41Å; R191-S262 PolarHBondContact O-OG 3.44Å; S192-S262 WeakPolarHBondContact O-CA 3.44Å; Y193-S262 VanDerWaalsContact CD1-N 3.27Å; S262-W264 PolarHBondContact O-N 2.84Å; S262-I289 VanDerWaalsContact CB-CD1 3.48Å; S262-I289 WeakPolarHBondContact OG-CD1 3.2Å
263G96.2Very high98.2Very high10 Ų1016.1 Ų16.110%0.1039%0.086CC..THydrogen-bonded Turntrans752.517700000114.5P261 H265P261-G263 PolarHBondContact O-N 3.23Å; G263-H265 PolarHBondContact O-N 2.86Å; G263-H265 PolarHBondContact O-ND1 3.45Å
264W97.2Very high98.2Very high1 Ų112.8 Ų12.80%0.0047%0.071CC..  trans-73.2110.1173.3-76.667000109.4Y20 F23 N49 P51 L207 Y208 P209 P210 V260 P261 S262 H266Y20-W264 AromaticContact CD1-CZ2 3.94Å; Y20-W264 HydrophobicContact CD1-CZ2 3.94Å; Y20-W264 HydrophobicContact CE1-CZ2 4.3Å; F23-W264 HydrophobicContact CB-CH2 3.88Å; F23-W264 AromaticContact CD1-CH2 3.98Å; F23-W264 HydrophobicContact CD1-CH2 3.98Å; F23-W264 AromaticContact CD2-CH2 3.54Å; F23-W264 HydrophobicContact CD2-CH2 3.54Å; F23-W264 AromaticContact CD2-CZ2 3.83Å; F23-W264 HydrophobicContact CD2-CZ2 3.83Å; F23-W264 HydrophobicContact CE1-CH2 4.39Å; F23-W264 AromaticContact CE2-CH2 3.99Å; F23-W264 HydrophobicContact CE2-CH2 3.99Å; F23-W264 AromaticContact CE2-CZ2 3.96Å; F23-W264 HydrophobicContact CE2-CZ2 3.96Å; F23-W264 AromaticContact CG-CH2 3.54Å; F23-W264 HydrophobicContact CG-CH2 3.54Å; F23-W264 HydrophobicContact CG-CZ2 4.3Å; F23-W264 HydrophobicContact CG-CZ3 4.5Å; F23-W264 HydrophobicContact CZ-CH2 4.4Å; N49-W264 PolarHBondContact O-NE1 3.22Å; N49-W264 VanDerWaalsContact O-NE1 3.16Å; P51-W264 VanDerWaalsContact CD-CZ2 3.47Å; P51-W264 HydrophobicContact CG-CH2 3.72Å; P51-W264 HydrophobicContact CG-CZ2 4.11Å; P51-W264 HydrophobicContact CG-CZ3 3.97Å; L207-W264 HydrophobicContact CB-CE3 4.05Å; L207-W264 HydrophobicContact CB-CZ3 4.36Å; L207-W264 HydrophobicContact CD2-CE3 4.25Å; Y208-W264 WeakPolarHBondContact O-CA 3.44Å; P209-W264 HydrophobicContact CB-CH2 4.08Å; P209-W264 HydrophobicContact CB-CZ2 4.24Å; P209-W264 HydrophobicContact CB-CZ3 4.21Å; P209-W264 HydrophobicContact CG-CE3 4.45Å; P209-W264 HydrophobicContact CG-CH2 3.82Å; P209-W264 HydrophobicContact CG-CZ2 4.47Å; P209-W264 HydrophobicContact CG-CZ3 3.8Å; P210-W264 HydrophobicContact CG-CG 4.39Å; V260-W264 HydrophobicContact CG1-CB 4.18Å; P261-W264 VanDerWaalsContact CB-CD1 3.46Å; P261-W264 HydrophobicContact CB-CG 4.25Å; P261-W264 HydrophobicContact CG-CD2 4.33Å; P261-W264 HydrophobicContact CG-CG 4.16Å; P261-W264 WeakPolarHBondContact O-CB 3.48Å; P261-W264 PolarHBondContact O-N 2.82Å; S262-W264 PolarHBondContact O-N 2.84Å; W264-H266 PolarHBondContact O-ND1 3.01Å
265H97.9Very high98.2Very high4 Ų410.9 Ų10.92%0.0196%0.055CC..EExtended strand (participates in β ladder)trans-73.7139.9175.6-68.678.8000109.4F185 H186 A187 R191 Y208 E213 G263F185-H265 HydrophobicContact CD2-CB 4.18Å; F185-H265 HydrophobicContact CE1-CB 4.04Å; F185-H265 HydrophobicContact CE2-CB 3.35Å; F185-H265 HydrophobicContact CZ-CB 3.28Å; H186-H265 CarbonylContact O-C 3.43Å; H186-H265 WeakPolarHBondContact O-CA 3.38Å; A187-H265 PolarHBondContact N-CD2 3.28Å; R191-H265 PolarHBondContact NH1-CE1 3.26Å; R191-H265 PolarHBondContact NH1-NE2 3.11Å; Y208-H265 PolarHBondContact N-O 2.76Å; Y208-H265 PolarHBondContact O-N 3.28Å; E213-H265 HydrophobicContact CB-CB 4.49Å; E213-H265 VanDerWaalsContact CD-ND1 3.29Å; E213-H265 WeakPolarHBondContact CG-CE1 3.4Å; E213-H265 IonicContact OE1-CE1 3.85Å; E213-H265 PolarHBondContact OE1-CE1 3.03Å; E213-H265 IonicContact OE1-ND1 2.67Å; E213-H265 IonicContact OE2-CE1 3.91Å; E213-H265 IonicContact OE2-ND1 2.73Å; E213-H265 PolarHBondContact OE2-ND1 2.79Å; G263-H265 PolarHBondContact O-N 2.86Å; G263-H265 PolarHBondContact O-ND1 3.45Å
266H98.3Very high98.2Very high5 Ų510.9 Ų10.92%0.0236%0.055CC..EExtended strand (participates in β ladder)trans-151.8155.9-174.860.8-84000113.2F185 H186 D188 W205 L206 L207 W264F185-H266 WeakPolarHBondContact CA-O 3.35Å; H186-H266 AromaticContact CE1-CD2 3.78Å; H186-H266 AromaticContact CE1-CE1 3.98Å; H186-H266 AromaticContact CE1-NE2 3.38Å; H186-H266 PolarHBondContact CE1-NE2 3.29Å; H186-H266 PolarHBondContact N-O 2.76Å; H186-H266 PolarHBondContact ND1-O 3.18Å; H186-H266 AromaticContact NE2-CE1 3.85Å; H186-H266 AromaticContact NE2-NE2 3.5Å; H186-H266 PolarHBondContact O-N 3.41Å; D188-H266 IonicContact OD2-CE1 3.32Å; D188-H266 PolarHBondContact OD2-CE1 3.22Å; W205-H266 AromaticContact CE3-CD2 3.88Å; W205-H266 AromaticContact CZ3-CD2 3.55Å; W205-H266 AromaticContact CZ3-NE2 3.86Å; L206-H266 CarbonylContact O-C 3.58Å; L206-H266 WeakPolarHBondContact O-CA 3.45Å; L206-H266 WeakPolarHBondContact O-CB 3.12Å; L207-H266 HydrophobicContact CD1-CB 4.44Å; L207-H266 HydrophobicContact CG-CB 4.07Å; W264-H266 PolarHBondContact O-ND1 3.01Å
267Q98.3Very high98.2Very high0 Ų010 Ų100%05%0.05CC..EExtended strand (participates in β ladder)trans-128.8140.4175.5-179165-6700108.9W182 T183 F185 W205 L206 Y225 D226 V227 Y269W182-Q267 HydrophobicContact CE3-CG 4.23Å; W182-Q267 HydrophobicContact CZ3-CG 4.31Å; T183-Q267 WeakPolarHBondContact O-CG 2.85Å; F185-Q267 HydrophobicContact CB-CB 4.38Å; F185-Q267 HydrophobicContact CD2-CB 4.3Å; W205-Q267 WeakPolarHBondContact CA-O 3.38Å; L206-Q267 HydrophobicContact CB-CB 4.39Å; L206-Q267 PolarHBondContact N-O 3.28Å; L206-Q267 PolarHBondContact O-N 2.91Å; Y225-Q267 PolarHBondContact O-OE1 3.16Å; D226-Q267 VanDerWaalsContact CA-OE1 3.3Å; D226-Q267 PolarHBondContact OD1-NE2 3.02Å; V227-Q267 HydrophobicContact CG2-CB 4.23Å; Q267-Y269 HydrophobicContact CG-CE2 3.88Å; Q267-Y269 VanDerWaalsContact NE2-CZ 3.34Å; Q267-Y269 PolarHBondContact NE2-OH 3.19Å
268V98.5Very high98.2Very high7 Ų710.6 Ų10.64%0.0425%0.054CC..EExtended strand (participates in β ladder)trans-133.6130.4-169.6-164.90000111.2W182 T183 K203 K204 W205W182-V268 CarbonylContact C-O 3.44Å; W182-V268 WeakPolarHBondContact CA-O 3.35Å; W182-V268 VanDerWaalsContact CB-O 3.24Å; W182-V268 WeakPolarHBondContact CB-O 3.38Å; T183-V268 PolarHBondContact N-O 3.44Å; T183-V268 PolarHBondContact O-N 2.67Å; K203-V268 HydrophobicContact CB-CG1 4.27Å; K203-V268 HydrophobicContact CD-CG1 4.05Å; K204-V268 CarbonylContact O-C 3.53Å; K204-V268 WeakPolarHBondContact O-CA 3.35Å; W205-V268 HydrophobicContact CD2-CB 4.48Å; W205-V268 HydrophobicContact CD2-CG1 3.91Å; W205-V268 HydrophobicContact CD2-CG2 3.8Å; W205-V268 HydrophobicContact CE3-CB 4.45Å; W205-V268 HydrophobicContact CE3-CG1 4.31Å; W205-V268 HydrophobicContact CE3-CG2 3.35Å; W205-V268 HydrophobicContact CG-CG1 4.31Å; W205-V268 HydrophobicContact CH2-CG1 4.42Å; W205-V268 HydrophobicContact CH2-CG2 3.93Å; W205-V268 HydrophobicContact CZ2-CG1 4.04Å; W205-V268 HydrophobicContact CZ2-CG2 4.34Å; W205-V268 HydrophobicContact CZ3-CG2 3.42Å; W205-V268 VanDerWaalsContact CZ3-CG2 3.42Å
269Y98.5Very high98.1Very high45 Ų4510.6 Ų10.618%0.1765%0.054CC..EExtended strand (participates in β ladder)trans-118.9132.6175-62.5-89.6000110.9W182 K203 K204 L206 D226 T228 Q267 L271W182-Y269 HydrophobicContact CB-CD1 3.45Å; W182-Y269 VanDerWaalsContact CB-CD1 3.45Å; W182-Y269 HydrophobicContact CB-CE1 3.9Å; W182-Y269 HydrophobicContact CB-CG 4.14Å; W182-Y269 HydrophobicContact CD2-CE1 4.04Å; W182-Y269 AromaticContact CE3-CE1 3.96Å; W182-Y269 HydrophobicContact CE3-CE1 3.96Å; W182-Y269 HydrophobicContact CG-CD1 4.04Å; W182-Y269 HydrophobicContact CG-CE1 4.01Å; K203-Y269 CarbonylContact C-O 3.58Å; K203-Y269 VanDerWaalsContact CA-O 3.28Å; K203-Y269 WeakPolarHBondContact CA-O 3.48Å; K204-Y269 PolarHBondContact N-O 3.03Å; K204-Y269 PolarHBondContact O-N 3.14Å; L206-Y269 HydrophobicContact CD1-CE2 4.3Å; D226-Y269 PolarHBondContact OD1-OH 3.32Å; D226-Y269 VanDerWaalsContact OD1-OH 3.11Å; D226-Y269 PolarHBondContact OD2-OH 2.96Å; T228-Y269 HydrophobicContact CG2-CE2 4.47Å; T228-Y269 PolarHBondContact OG1-OH 3.02Å; T228-Y269 VanDerWaalsContact OG1-OH 3.06Å; Q267-Y269 HydrophobicContact CG-CE2 3.88Å; Q267-Y269 VanDerWaalsContact NE2-CZ 3.34Å; Q267-Y269 PolarHBondContact NE2-OH 3.19Å; Y269-L271 PolarHBondContact O-N 3.29Å
270N98.7Very high98.1Very high3 Ų310.9 Ų10.92%0.0166%0.055CC..EExtended strand (participates in β ladder)trans-83.5107.3168.5-65.8-23000108.6Y132 G180 S181 K203 E272Y132-N270 WeakPolarHBondContact CE2-ND2 3.42Å; G180-N270 PolarHBondContact N-O 2.87Å; S181-N270 WeakPolarHBondContact O-CB 3.19Å; S181-N270 PolarHBondContact O-N 3.44Å; S181-N270 WeakPolarHBondContact OG-CB 3.44Å; S181-N270 PolarHBondContact OG-ND2 3.2Å; K203-N270 VanDerWaalsContact CE-OD1 3.25Å; K203-N270 WeakPolarHBondContact CE-OD1 3.47Å; K203-N270 WeakPolarHBondContact CG-OD1 3.43Å; N270-E272 VanDerWaalsContact C-N 3.29Å
271L98.7Very high98Very high56 Ų5610.9 Ų10.929%0.2936%0.055SC..SBendtrans-77.2-18.5-179.9-57.4-176000112.7K179 R202 K204 I251 Y269K179-L271 VanDerWaalsContact CD-O 3.25Å; K179-L271 WeakPolarHBondContact CD-O 3.48Å; K179-L271 WeakPolarHBondContact CE-O 3.4Å; K179-L271 VanDerWaalsContact CG-O 3.26Å; K179-L271 WeakPolarHBondContact CG-O 3.23Å; R202-L271 HydrophobicContact CB-CB 4.19Å; R202-L271 PolarHBondContact O-N 3.29Å; K204-L271 HydrophobicContact CB-CD1 4.02Å; K204-L271 HydrophobicContact CB-CD2 3.99Å; K204-L271 HydrophobicContact CB-CG 4.04Å; I251-L271 HydrophobicContact CD1-CD1 3.96Å; Y269-L271 PolarHBondContact O-N 3.29Å
272E98.6Very high98Very high58 Ų5810.9 Ų10.927%0.2716%0.055SC..SBendtrans-137.5171.2175.1-66.9-166.6-159.100110.3K74 R202 N270 T274K74-E272 IonicContact NZ-OE2 3.03Å; K74-E272 PolarHBondContact NZ-OE2 2.75Å; R202-E272 HydrophobicContact CB-CG 4.33Å; R202-E272 WeakPolarHBondContact CD-OE1 3.3Å; R202-E272 HydrophobicContact CG-CG 4.3Å; N270-E272 VanDerWaalsContact C-N 3.29Å; E272-T274 WeakPolarHBondContact O-CB 2.99Å; E272-T274 PolarHBondContact O-N 3.41Å; E272-T274 VanDerWaalsContact O-N 3.16Å; E272-T274 PolarHBondContact O-OG1 2.84Å
273D98.6Very high98Very high16 Ų1610.9 Ų10.99%0.0866%0.055CC..SBendtrans-57.4117.8169-62.5-52.8000110.1P75 W116 P178 K179 G201P75-D273 HydrophobicContact CG-CB 3.99Å; W116-D273 HydrophobicContact CZ2-CB 3.87Å; W116-D273 PolarHBondContact NE1-OD1 3.5Å; P178-D273 WeakPolarHBondContact CA-OD1 3.33Å; K179-D273 PolarHBondContact N-OD1 3.27Å; G201-D273 WeakPolarHBondContact CA-O 3.37Å
274T98.6Very high98Very high1 Ų110.4 Ų10.41%0.0065%0.05CC..EExtended strand (participates in β ladder)trans-128.3141.5-161.2-66.70000111.7W116 M176 G177 N198 C200 K203 E272W116-T274 WeakPolarHBondContact CH2-O 3.44Å; M176-T274 CarbonylContact C-O 3.55Å; M176-T274 VanDerWaalsContact CA-O 3.22Å; M176-T274 WeakPolarHBondContact CA-O 3.45Å; G177-T274 PolarHBondContact N-O 3.17Å; G177-T274 PolarHBondContact O-N 2.65Å; N198-T274 VanDerWaalsContact OD1-CG2 3.28Å; N198-T274 WeakPolarHBondContact OD1-CG2 3.14Å; C200-T274 WeakPolarHBondContact O-CA 3.33Å; K203-T274 HydrophobicContact CD-CG2 4.28Å; K203-T274 HydrophobicContact CG-CG2 4.01Å; E272-T274 WeakPolarHBondContact O-CB 2.99Å; E272-T274 PolarHBondContact O-N 3.41Å; E272-T274 VanDerWaalsContact O-N 3.16Å; E272-T274 PolarHBondContact O-OG1 2.84Å
275I98.8Very high97.9Very high0 Ų010.5 Ų10.50%05%0.051CC..EExtended strand (participates in β ladder)trans-126.5133.1165.6-58.1170.1000106.9W68 P75 L80 W116 Y175 M176 I199 C200W68-I275 HydrophobicContact CB-CD1 4.2Å; W68-I275 HydrophobicContact CE3-CG2 3.86Å; W68-I275 HydrophobicContact CZ3-CG2 4.15Å; P75-I275 HydrophobicContact CB-CD1 3.98Å; P75-I275 HydrophobicContact CG-CD1 4.28Å; P75-I275 HydrophobicContact CG-CG1 4.37Å; L80-I275 HydrophobicContact CD1-CD1 3.91Å; W116-I275 HydrophobicContact CH2-CG1 4.36Å; Y175-I275 CarbonylContact O-C 3.59Å; Y175-I275 WeakPolarHBondContact O-CA 3.19Å; M176-I275 HydrophobicContact CB-CB 4.34Å; M176-I275 HydrophobicContact CB-CG1 3.87Å; M176-I275 HydrophobicContact CB-CG2 4.37Å; I199-I275 WeakPolarHBondContact CA-O 3.3Å; I199-I275 HydrophobicContact CB-CB 4.3Å; I199-I275 HydrophobicContact CB-CG2 4.25Å; I199-I275 WeakPolarHBondContact CB-O 3.3Å; I199-I275 HydrophobicContact CG1-CG2 4.44Å; I199-I275 PolarHBondContact N-O 3.03Å; C200-I275 PolarHBondContact N-O 3.48Å; C200-I275 PolarHBondContact O-N 3.28Å
276S98.6Very high97.8Very high0 Ų010.4 Ų10.40%05%0.051CC..EExtended strand (participates in β ladder)trans-138.9158.5173.770.10000112.9Y175 A197 K203 N278Y175-S276 PolarHBondContact N-O 3.24Å; Y175-S276 PolarHBondContact O-N 2.74Å; A197-S276 CarbonylContact O-C 3.57Å; A197-S276 WeakPolarHBondContact O-CA 3.28Å; A197-S276 VanDerWaalsContact O-CB 3.24Å; A197-S276 WeakPolarHBondContact O-CB 3.21Å; K203-S276 PolarHBondContact NZ-OG 2.69Å; S276-N278 PolarHBondContact OG-OD1 3Å
277I98.4Very high97.7Very high1 Ų110.1 Ų10.11%0.0055%0.049CC..EExtended strand (participates in β ladder)trans-113130.5171.7-60.5179.7000107.3W62 C64 W68 V147 Y148 W195 S196 A197 I199W62-I277 HydrophobicContact CE3-CD1 4.38Å; W62-I277 HydrophobicContact CZ3-CD1 4.26Å; C64-I277 HydrophobicContact CB-CD1 4.35Å; W68-I277 HydrophobicContact CZ3-CD1 4.37Å; W68-I277 HydrophobicContact CZ3-CG1 4.46Å; V147-I277 HydrophobicContact CG2-CD1 4.09Å; Y148-I277 HydrophobicContact CD1-CD1 3.5Å; Y148-I277 VanDerWaalsContact CD1-CD1 3.5Å; Y148-I277 HydrophobicContact CD1-CG2 4.03Å; Y148-I277 HydrophobicContact CD2-CG2 4.47Å; Y148-I277 HydrophobicContact CE1-CD1 4.22Å; Y148-I277 HydrophobicContact CE1-CG2 3.84Å; Y148-I277 HydrophobicContact CE2-CG2 4.35Å; Y148-I277 HydrophobicContact CG-CD1 3.88Å; Y148-I277 HydrophobicContact CG-CG2 4.37Å; W195-I277 HydrophobicContact CH2-CG2 3.82Å; W195-I277 HydrophobicContact CZ3-CB 4.35Å; W195-I277 HydrophobicContact CZ3-CG2 4.01Å; S196-I277 CarbonylContact C-O 3.59Å; S196-I277 WeakPolarHBondContact CA-O 3.03Å; A197-I277 PolarHBondContact N-O 3.16Å; A197-I277 PolarHBondContact O-N 2.89Å; I199-I277 HydrophobicContact CD1-CD1 4.02Å; I199-I277 HydrophobicContact CD1-CG1 4.14Å; I199-I277 HydrophobicContact CG1-CD1 4.22Å; I199-I277 HydrophobicContact CG1-CG1 4Å
278N97.8Very high97.6Very high13 Ų1311.8 Ų11.87%0.076%0.058CC..EExtended strand (participates in β ladder)trans-131.4133.6-173.3-78.659.9000110.1F173 Y175 W195 S196 S276F173-N278 HydrophobicContact CB-CB 4.36Å; F173-N278 PolarHBondContact N-O 2.95Å; F173-N278 PolarHBondContact O-N 2.83Å; Y175-N278 HydrophobicContact CD2-CB 3.78Å; Y175-N278 HydrophobicContact CE2-CB 3.52Å; W195-N278 VanDerWaalsContact O-CA 3.26Å; W195-N278 WeakPolarHBondContact O-CA 3.42Å; S196-N278 WeakPolarHBondContact CB-ND2 3.5Å; S196-N278 VanDerWaalsContact OG-CG 3.27Å; S196-N278 PolarHBondContact OG-ND2 2.67Å; S196-N278 PolarHBondContact OG-OD1 3.47Å; S276-N278 PolarHBondContact OG-OD1 3Å
279H96.9Very high97.5Very high0 Ų012.5 Ų12.50%06%0.061CC..EExtended strand (participates in β ladder)trans-120.9141171.9-74.8-150.7000109.2Y148 Y171 S194 W195 W281Y148-H279 AromaticContact CE2-CE1 3.65Å; Y148-H279 AromaticContact CE2-NE2 3.36Å; Y148-H279 WeakPolarHBondContact CE2-NE2 3.37Å; Y148-H279 AromaticContact CZ-CE1 3.75Å; Y148-H279 AromaticContact CZ-NE2 3.19Å; Y148-H279 PolarHBondContact OH-CE1 3Å; Y148-H279 PolarHBondContact OH-NE2 2.81Å; Y171-H279 WeakPolarHBondContact O-CA 3.32Å; S194-H279 WeakPolarHBondContact CA-O 3.2Å; S194-H279 PolarHBondContact OG-O 3.35Å; W195-H279 HydrophobicContact CD2-CB 4.18Å; W195-H279 AromaticContact CE2-CD2 3.86Å; W195-H279 AromaticContact CE2-CG 3.45Å; W195-H279 VanDerWaalsContact CE2-CG 3.45Å; W195-H279 AromaticContact CE2-ND1 3.77Å; W195-H279 HydrophobicContact CG-CB 4.37Å; W195-H279 AromaticContact CH2-CD2 3.71Å; W195-H279 AromaticContact CH2-NE2 3.84Å; W195-H279 HydrophobicContact CZ2-CB 4.01Å; W195-H279 AromaticContact CZ2-CD2 3.33Å; W195-H279 WeakPolarHBondContact CZ2-CD2 3.14Å; W195-H279 AromaticContact CZ2-CE1 3.56Å; W195-H279 AromaticContact CZ2-CG 3.32Å; W195-H279 AromaticContact CZ2-ND1 3.46Å; W195-H279 WeakPolarHBondContact CZ2-ND1 3.32Å; W195-H279 AromaticContact CZ2-NE2 3.49Å; W195-H279 WeakPolarHBondContact CZ2-NE2 3.48Å; W195-H279 PolarHBondContact N-O 2.47Å; W195-H279 VanDerWaalsContact N-O 3.13Å; W195-H279 AromaticContact NE1-CG 3.58Å; W195-H279 AromaticContact NE1-ND1 3.71Å; W195-H279 PolarHBondContact O-N 3.36Å; H279-W281 HydrophobicContact CB-CE3 4.11Å; H279-W281 HydrophobicContact CB-CZ3 4.42Å; H279-W281 WeakPolarHBondContact O-CZ3 3.36Å
280N98.1Very high97.4Very high6 Ų610.4 Ų10.43%0.0325%0.054CC..EExtended strand (participates in β ladder)trans-104.7132.5159.9-65.694.4000108.6L159 N160 Y171 F173 D188 V189 S192 Y193L159-N280 HydrophobicContact CD2-CB 4.43Å; N160-N280 PolarHBondContact ND2-O 3.09Å; N160-N280 VanDerWaalsContact ND2-O 3.09Å; Y171-N280 WeakPolarHBondContact CB-O 3.32Å; Y171-N280 HydrophobicContact CD1-CB 4.13Å; Y171-N280 PolarHBondContact O-N 2.94Å; F173-N280 WeakPolarHBondContact CE2-OD1 3.4Å; D188-N280 WeakPolarHBondContact CB-ND2 3.26Å; D188-N280 PolarHBondContact OD1-ND2 3.47Å; V189-N280 HydrophobicContact CG1-CB 4.14Å; S192-N280 WeakPolarHBondContact OG-CB 3.43Å; S192-N280 PolarHBondContact OG-ND2 3.18Å; Y193-N280 WeakPolarHBondContact O-CA 3.18Å
281W97.4Very high97.4Very high0 Ų010.9 Ų10.90%06%0.055CC..EExtended strand (participates in β ladder)trans-147.9164.3175.975.9101.4000112.6F154 D157 S192 Y193 S194 W195 F259 H279F154-W281 HydrophobicContact CB-CZ2 4.22Å; F154-W281 AromaticContact CD1-CH2 3.72Å; F154-W281 HydrophobicContact CD1-CH2 3.72Å; F154-W281 AromaticContact CD1-CZ2 3.47Å; F154-W281 HydrophobicContact CD1-CZ2 3.47Å; F154-W281 VanDerWaalsContact CD1-CZ2 3.47Å; F154-W281 HydrophobicContact CE1-CH2 4.2Å; F154-W281 HydrophobicContact CE1-CZ2 4.2Å; F154-W281 HydrophobicContact CG-CH2 4.26Å; F154-W281 HydrophobicContact CG-CZ2 4.17Å; D157-W281 HydrophobicContact CB-CB 3.88Å; D157-W281 HydrophobicContact CB-CG 4.36Å; D157-W281 WeakPolarHBondContact OD1-CB 3.29Å; S192-W281 WeakPolarHBondContact CB-O 3.45Å; Y193-W281 WeakPolarHBondContact CA-O 3.44Å; Y193-W281 WeakPolarHBondContact CB-O 3.27Å; Y193-W281 HydrophobicContact CD2-CZ2 4.34Å; Y193-W281 AromaticContact CD2-NE1 3.61Å; Y193-W281 HydrophobicContact CG-CZ2 4.22Å; Y193-W281 PolarHBondContact N-O 3.05Å; Y193-W281 PolarHBondContact O-N 2.89Å; S194-W281 WeakPolarHBondContact O-CH2 3.34Å; W195-W281 HydrophobicContact CB-CH2 3.6Å; W195-W281 HydrophobicContact CB-CZ3 3.66Å; W195-W281 AromaticContact CD1-CE3 3.58Å; W195-W281 AromaticContact CD1-CH2 3.25Å; W195-W281 AromaticContact CD1-CZ3 2.92Å; W195-W281 HydrophobicContact CG-CE3 4.44Å; W195-W281 AromaticContact CG-CH2 3.78Å; W195-W281 HydrophobicContact CG-CH2 3.78Å; W195-W281 AromaticContact CG-CZ3 3.5Å; W195-W281 HydrophobicContact CG-CZ3 3.5Å; W195-W281 VanDerWaalsContact CG-CZ3 3.5Å; W195-W281 AromaticContact NE1-CZ3 3.83Å; F259-W281 AromaticContact CD2-CH2 3.73Å; F259-W281 HydrophobicContact CD2-CH2 3.73Å; F259-W281 AromaticContact CD2-CZ2 3.82Å; F259-W281 HydrophobicContact CD2-CZ2 3.82Å; F259-W281 AromaticContact CE2-CH2 3.9Å; F259-W281 HydrophobicContact CE2-CH2 3.9Å; F259-W281 AromaticContact CE2-CZ2 3.6Å; F259-W281 HydrophobicContact CE2-CZ2 3.6Å; H279-W281 HydrophobicContact CB-CE3 4.11Å; H279-W281 HydrophobicContact CB-CZ3 4.42Å; H279-W281 WeakPolarHBondContact O-CZ3 3.36Å
282L96.1Very high97.3Very high2 Ų212.8 Ų12.81%0.016%0.063CC..  trans-140.9163.7171.972.593.1000109.9W158 L159 N286 V287 M290 F337W158-L282 HydrophobicContact CB-CD1 4.1Å; W158-L282 HydrophobicContact CB-CG 4.5Å; W158-L282 VanDerWaalsContact CB-O 3.28Å; W158-L282 WeakPolarHBondContact CB-O 3.44Å; W158-L282 HydrophobicContact CD2-CD1 4.47Å; W158-L282 HydrophobicContact CE3-CD1 3.93Å; W158-L282 PolarHBondContact N-O 3.25Å; L159-L282 HydrophobicContact CB-CD2 4.31Å; L159-L282 HydrophobicContact CB-CG 4.33Å; L159-L282 HydrophobicContact CD1-CD2 4.46Å; L282-N286 VanDerWaalsContact CA-OD1 3.3Å; L282-N286 WeakPolarHBondContact CA-OD1 3.48Å; L282-N286 VanDerWaalsContact CB-OD1 3.28Å; L282-N286 WeakPolarHBondContact CB-OD1 3.32Å; L282-V287 HydrophobicContact CD1-CB 4.23Å; L282-V287 HydrophobicContact CD1-CG2 4.37Å; L282-M290 HydrophobicContact CD1-SD 4.45Å; L282-M290 HydrophobicContact CD2-CE 4.25Å; L282-M290 HydrophobicContact CD2-CG 4.43Å; L282-M290 HydrophobicContact CD2-SD 3.29Å; L282-M290 WeakPolarHBondContact CD2-SD 3.48Å; L282-F337 HydrophobicContact CD1-CE1 3.96Å; L282-F337 HydrophobicContact CD1-CZ 3.63Å; L282-F337 HydrophobicContact CD2-CZ 4.3Å; L282-F337 HydrophobicContact CG-CZ 4.17Å
283N97.3Very high97.2Very high1 Ų111.6 Ų11.61%0.0056%0.056CC..  trans-154.7-166.6176.260.334.3000111.5S156 W158 C285 N286 V287S156-N283 WeakPolarHBondContact O-CB 3.49Å; S156-N283 PolarHBondContact O-ND2 2.93Å; S156-N283 WeakPolarHBondContact OG-CB 3.33Å; W158-N283 HydrophobicContact CD2-CB 4.38Å; W158-N283 HydrophobicContact CG-CB 4.33Å; N283-C285 PolarHBondContact O-N 2.76Å; N283-C285 WeakPolarHBondContact OD1-CB 3.41Å; N283-C285 PolarHBondContact OD1-N 3.4Å; N283-N286 PolarHBondContact N-OD1 2.87Å; N283-N286 PolarHBondContact O-N 3.27Å; N283-N286 PolarHBondContact O-OD1 3.04Å; N283-V287 PolarHBondContact O-N 3.45Å
284G96Very high97.2Very high0 Ų010.8 Ų10.80%05%0.052CC..THydrogen-bonded Turntrans-57.3-20.9-179.600000114.6W158 R382W158-G284 VanDerWaalsContact CH2-CA 3.44Å; G284-R382 VanDerWaalsContact O-CG 3.28Å; G284-R382 WeakPolarHBondContact O-CG 3.37Å; G284-R382 PolarHBondContact O-NE 3.12Å
285C95.5Very high97.1Very high3 Ų312.6 Ų12.62%0.026%0.06CC..THydrogen-bonded Turntrans-74.7-25.1177.9-62.50000114.1I15 F42 Y193 N283I15-C285 VanDerWaalsContact CD1-O 3.28Å; I15-C285 WeakPolarHBondContact CD1-O 2.87Å; F42-C285 WeakPolarHBondContact CE2-SG 3.35Å; F42-C285 WeakPolarHBondContact CZ-SG 3.47Å; Y193-C285 HydrophobicContact CE2-CB 4.32Å; Y193-C285 WeakPolarHBondContact OH-CB 3.45Å; N283-C285 PolarHBondContact O-N 2.76Å; N283-C285 WeakPolarHBondContact OD1-CB 3.41Å; N283-C285 PolarHBondContact OD1-N 3.4Å
286N95.9Very high97Very high1 Ų116.6 Ų16.61%0.0058%0.082CC..THydrogen-bonded Turntrans-135.62.9-170.965-6.4000114.9Y193 L282 N283 D288 I289 M290Y193-N286 WeakPolarHBondContact CD2-ND2 3.44Å; Y193-N286 HydrophobicContact CE1-CB 4.32Å; Y193-N286 HydrophobicContact CE2-CB 4.17Å; Y193-N286 WeakPolarHBondContact CE2-ND2 3.39Å; Y193-N286 VanDerWaalsContact CG-ND2 3.29Å; Y193-N286 PolarHBondContact N-ND2 3.04Å; L282-N286 VanDerWaalsContact CA-OD1 3.3Å; L282-N286 WeakPolarHBondContact CA-OD1 3.48Å; L282-N286 VanDerWaalsContact CB-OD1 3.28Å; L282-N286 WeakPolarHBondContact CB-OD1 3.32Å; N283-N286 PolarHBondContact N-OD1 2.87Å; N283-N286 PolarHBondContact O-N 3.27Å; N283-N286 PolarHBondContact O-OD1 3.04Å; N286-D288 PolarHBondContact O-N 3.4Å; N286-I289 HydrophobicContact CB-CD1 3.66Å; N286-I289 HydrophobicContact CB-CG1 4.29Å; N286-I289 VanDerWaalsContact O-CB 3.27Å; N286-I289 WeakPolarHBondContact O-CB 3.37Å; N286-I289 WeakPolarHBondContact O-CG1 3.4Å; N286-I289 PolarHBondContact O-N 2.93Å; N286-M290 PolarHBondContact O-N 3.27Å
287V97.3Very high97Very high0 Ų019.3 Ų19.30%010%0.095CC..Hα-helixtrans-58.3-28175.764.50000113.6W158 L282 N283 I289 M290 W291 F334 L338 R382 I386W158-V287 HydrophobicContact CE3-CB 4.43Å; W158-V287 HydrophobicContact CE3-CG2 4.44Å; W158-V287 HydrophobicContact CH2-CG1 4.38Å; W158-V287 HydrophobicContact CZ3-CB 3.89Å; W158-V287 HydrophobicContact CZ3-CG1 4Å; W158-V287 HydrophobicContact CZ3-CG2 3.97Å; L282-V287 HydrophobicContact CD1-CB 4.23Å; L282-V287 HydrophobicContact CD1-CG2 4.37Å; N283-V287 PolarHBondContact O-N 3.45Å; V287-I289 VanDerWaalsContact C-N 3.27Å; V287-I289 PolarHBondContact O-N 3Å; V287-M290 PolarHBondContact O-N 3.16Å; V287-W291 PolarHBondContact O-N 3.01Å; V287-F334 HydrophobicContact CG2-CE2 4.29Å; V287-F334 HydrophobicContact CG2-CZ 4.01Å; V287-L338 HydrophobicContact CG2-CD2 4Å; V287-R382 HydrophobicContact CG1-CB 4.41Å; V287-I386 HydrophobicContact CG1-CD1 4.33Å; V287-I386 HydrophobicContact CG1-CG1 3.74Å; V287-I386 HydrophobicContact CG2-CG1 4.19Å
288D95.3Very high96.9Very high34 Ų3419.3 Ų19.318%0.18210%0.095CC..Hα-helixtrans-64.4-31.3172.958.8-52.3000112.6R17 N286 W291 Q292 R382 I386R17-D288 IonicContact CZ-OD2 3.33Å; R17-D288 IonicContact NH2-OD1 3.36Å; R17-D288 IonicContact NH2-OD2 2.86Å; R17-D288 PolarHBondContact NH2-OD2 3.44Å; N286-D288 PolarHBondContact O-N 3.4Å; D288-W291 PolarHBondContact O-N 3.01Å; D288-Q292 PolarHBondContact O-N 3.04Å; D288-R382 IonicContact OD1-NH2 2.93Å; D288-I386 HydrophobicContact CB-CD1 3.95Å
289I95.8Very high96.9Very high22 Ų2220.5 Ų20.511%0.11310%0.104CC..Hα-helixtrans-71.3-46.2177.1-49.6173.6000109.9R191 S262 N286 V287 W291 Q292 F293R191-I289 HydrophobicContact CB-CG2 3.54Å; R191-I289 HydrophobicContact CG-CG2 4.07Å; S262-I289 VanDerWaalsContact CB-CD1 3.48Å; S262-I289 WeakPolarHBondContact OG-CD1 3.2Å; N286-I289 HydrophobicContact CB-CD1 3.66Å; N286-I289 HydrophobicContact CB-CG1 4.29Å; N286-I289 VanDerWaalsContact O-CB 3.27Å; N286-I289 WeakPolarHBondContact O-CB 3.37Å; N286-I289 WeakPolarHBondContact O-CG1 3.4Å; N286-I289 PolarHBondContact O-N 2.93Å; V287-I289 VanDerWaalsContact C-N 3.27Å; V287-I289 PolarHBondContact O-N 3Å; I289-W291 VanDerWaalsContact C-N 3.26Å; I289-W291 PolarHBondContact O-N 3.39Å; I289-Q292 PolarHBondContact O-N 2.89Å; I289-F293 WeakPolarHBondContact O-CB 3.42Å; I289-F293 PolarHBondContact O-N 3.13Å
290M97.3Very high96.9Very high2 Ų222 Ų221%0.0112%0.116CC..Hα-helixtrans-57.8-45.8175.5179.6-176.8-165.700109.6F190 L282 N286 V287 Q292 F293 L294 I329 F334F190-M290 HydrophobicContact CB-CE 4.17Å; F190-M290 HydrophobicContact CB-CG 4.06Å; F190-M290 HydrophobicContact CB-SD 4.44Å; F190-M290 HydrophobicContact CD1-CE 3.69Å; F190-M290 HydrophobicContact CD2-CE 3.99Å; F190-M290 HydrophobicContact CE1-CE 4.03Å; F190-M290 HydrophobicContact CE2-CE 4.31Å; F190-M290 HydrophobicContact CG-CE 3.68Å; F190-M290 HydrophobicContact CG-CG 4.48Å; F190-M290 HydrophobicContact CZ-CE 4.34Å; L282-M290 HydrophobicContact CD1-SD 4.45Å; L282-M290 HydrophobicContact CD2-CE 4.25Å; L282-M290 HydrophobicContact CD2-CG 4.43Å; L282-M290 HydrophobicContact CD2-SD 3.29Å; L282-M290 WeakPolarHBondContact CD2-SD 3.48Å; N286-M290 PolarHBondContact O-N 3.27Å; V287-M290 PolarHBondContact O-N 3.16Å; M290-Q292 PolarHBondContact O-N 3.34Å; M290-F293 WeakPolarHBondContact O-CB 3.34Å; M290-F293 PolarHBondContact O-N 3.49Å; M290-L294 HydrophobicContact CE-CD1 4.37Å; M290-L294 HydrophobicContact CG-CD1 4.15Å; M290-L294 HydrophobicContact CG-CG 4.39Å; M290-L294 VanDerWaalsContact O-CG 3.29Å; M290-L294 WeakPolarHBondContact O-CG 3.48Å; M290-L294 PolarHBondContact O-N 3.17Å; M290-I329 HydrophobicContact CE-CD1 3.36Å; M290-I329 HydrophobicContact CE-CG1 4.38Å; M290-F334 HydrophobicContact CE-CD2 4.04Å; M290-F334 HydrophobicContact CE-CE2 4.23Å; M290-F334 HydrophobicContact CG-CE2 4.08Å; M290-F334 HydrophobicContact SD-CD2 3.97Å; M290-F334 HydrophobicContact SD-CE2 3.54Å; M290-F334 VanDerWaalsContact SD-CE2 3.54Å
291W97.5Very high96.8Very high12 Ų1222.2 Ų22.25%0.04512%0.118CC..Hα-helixtrans-61.1-41.5176.7178.9-127000112.8V287 D288 I289 L294 Q295 Y331 F334 I386 M390 N393V287-W291 PolarHBondContact O-N 3.01Å; D288-W291 PolarHBondContact O-N 3.01Å; I289-W291 VanDerWaalsContact C-N 3.26Å; I289-W291 PolarHBondContact O-N 3.39Å; W291-L294 HydrophobicContact CE3-CB 4.36Å; W291-L294 HydrophobicContact CE3-CD1 4.43Å; W291-L294 PolarHBondContact O-N 3.47Å; W291-Q295 VanDerWaalsContact CD1-NE2 3.35Å; W291-Q295 HydrophobicContact CD2-CG 4.25Å; W291-Q295 HydrophobicContact CH2-CG 4.1Å; W291-Q295 HydrophobicContact CZ2-CG 3.81Å; W291-Q295 HydrophobicContact CZ3-CG 4.44Å; W291-Q295 VanDerWaalsContact NE1-NE2 3.2Å; W291-Q295 WeakPolarHBondContact O-CG 3.3Å; W291-Q295 PolarHBondContact O-N 3.28Å; W291-Q295 VanDerWaalsContact O-N 3.09Å; W291-Q295 PolarHBondContact O-NE2 3.38Å; W291-Q295 VanDerWaalsContact O-NE2 3.07Å; W291-Y331 HydrophobicContact CH2-CD1 4.21Å; W291-Y331 AromaticContact CH2-CD2 3.92Å; W291-Y331 HydrophobicContact CH2-CD2 3.92Å; W291-Y331 AromaticContact CH2-CE1 3.87Å; W291-Y331 HydrophobicContact CH2-CE1 3.87Å; W291-Y331 AromaticContact CH2-CE2 3.57Å; W291-Y331 HydrophobicContact CH2-CE2 3.57Å; W291-Y331 HydrophobicContact CH2-CG 4.22Å; W291-Y331 AromaticContact CH2-CZ 3.54Å; W291-Y331 AromaticContact CZ3-CD1 3.73Å; W291-Y331 HydrophobicContact CZ3-CD1 3.73Å; W291-Y331 HydrophobicContact CZ3-CD2 4.24Å; W291-Y331 AromaticContact CZ3-CE1 3.57Å; W291-Y331 HydrophobicContact CZ3-CE1 3.57Å; W291-Y331 HydrophobicContact CZ3-CE2 4.11Å; W291-Y331 HydrophobicContact CZ3-CG 4.06Å; W291-Y331 AromaticContact CZ3-CZ 3.77Å; W291-F334 HydrophobicContact CB-CE1 4.02Å; W291-F334 HydrophobicContact CB-CZ 4.08Å; W291-F334 AromaticContact CD2-CE1 3.98Å; W291-F334 HydrophobicContact CD2-CE1 3.98Å; W291-F334 AromaticContact CE3-CD1 3.57Å; W291-F334 HydrophobicContact CE3-CD1 3.57Å; W291-F334 AromaticContact CE3-CE1 3.45Å; W291-F334 HydrophobicContact CE3-CE1 3.45Å; W291-F334 VanDerWaalsContact CE3-CE1 3.45Å; W291-F334 HydrophobicContact CE3-CZ 4.47Å; W291-F334 HydrophobicContact CG-CE1 4.24Å; W291-F334 AromaticContact CZ3-CD1 3.97Å; W291-F334 HydrophobicContact CZ3-CD1 3.97Å; W291-F334 HydrophobicContact CZ3-CE1 4.27Å; W291-I386 HydrophobicContact CB-CG2 4.31Å; W291-I386 HydrophobicContact CG-CG2 4.3Å; W291-M390 HydrophobicContact CD2-CG 4.09Å; W291-M390 HydrophobicContact CE3-CG 4.2Å; W291-M390 HydrophobicContact CH2-CG 3.89Å; W291-M390 HydrophobicContact CZ2-CB 4.41Å; W291-M390 HydrophobicContact CZ2-CG 3.76Å; W291-M390 HydrophobicContact CZ3-CE 4.46Å; W291-M390 HydrophobicContact CZ3-CG 4.1Å; W291-N393 HydrophobicContact CZ2-CB 3.93Å
292Q96.7Very high96.8Very high97 Ų9723.4 Ų23.445%0.45312%0.123SC..Hα-helixtrans-65.5-39.6174.3-173.461.259.800112.5D288 I289 M290 Q295 N296D288-Q292 PolarHBondContact O-N 3.04Å; I289-Q292 PolarHBondContact O-N 2.89Å; M290-Q292 PolarHBondContact O-N 3.34Å; Q292-Q295 PolarHBondContact O-N 3.19Å; Q292-N296 PolarHBondContact NE2-OD1 3.49Å; Q292-N296 PolarHBondContact O-N 3.28Å; Q292-N296 PolarHBondContact O-OD1 3Å
293F97.1Very high96.8Very high32 Ų3231.3 Ų31.314%0.1415%0.153CC..Hα-helixtrans-59.5-50.9175.2166.3-99.9000110.6F190 R191 I289 M290 Q295 N296 E297F190-F293 HydrophobicContact CD1-CD1 4.14Å; F190-F293 AromaticContact CD1-CE1 3.82Å; F190-F293 HydrophobicContact CD1-CE1 3.82Å; F190-F293 HydrophobicContact CE1-CE1 4.48Å; R191-F293 HydrophobicContact CG-CB 4.13Å; R191-F293 HydrophobicContact CG-CD2 4.11Å; R191-F293 HydrophobicContact CG-CG 4.27Å; I289-F293 WeakPolarHBondContact O-CB 3.42Å; I289-F293 PolarHBondContact O-N 3.13Å; M290-F293 WeakPolarHBondContact O-CB 3.34Å; M290-F293 PolarHBondContact O-N 3.49Å; F293-Q295 VanDerWaalsContact C-N 3.3Å; F293-Q295 PolarHBondContact O-N 3.3Å; F293-N296 WeakPolarHBondContact O-CB 3.34Å; F293-N296 PolarHBondContact O-N 3.37Å; F293-E297 HydrophobicContact CD1-CG 4.29Å; F293-E297 HydrophobicContact CD2-CG 4.12Å; F293-E297 HydrophobicContact CE1-CG 3.82Å; F293-E297 HydrophobicContact CE2-CG 3.63Å; F293-E297 HydrophobicContact CG-CG 4.43Å; F293-E297 HydrophobicContact CZ-CG 3.46Å; F293-E297 VanDerWaalsContact CZ-CG 3.46Å; F293-E297 WeakPolarHBondContact O-CG 3.39Å; F293-E297 PolarHBondContact O-N 3.47Å
294L98.1Very high96.7Very high0 Ų038.5 Ų38.50%019%0.187CC..Hα-helixtrans-58.8-40178.1-67.9175.3000112F190 M290 W291 N296 E297 L298 M323 I329 Y331 F334F190-L294 HydrophobicContact CE1-CD2 4.49Å; M290-L294 HydrophobicContact CE-CD1 4.37Å; M290-L294 HydrophobicContact CG-CD1 4.15Å; M290-L294 HydrophobicContact CG-CG 4.39Å; M290-L294 VanDerWaalsContact O-CG 3.29Å; M290-L294 WeakPolarHBondContact O-CG 3.48Å; M290-L294 PolarHBondContact O-N 3.17Å; W291-L294 HydrophobicContact CE3-CB 4.36Å; W291-L294 HydrophobicContact CE3-CD1 4.43Å; W291-L294 PolarHBondContact O-N 3.47Å; L294-N296 VanDerWaalsContact C-N 3.34Å; L294-N296 PolarHBondContact O-N 3.45Å; L294-E297 PolarHBondContact O-N 2.89Å; L294-L298 PolarHBondContact O-N 3.25Å; L294-M323 HydrophobicContact CB-CE 3.64Å; L294-M323 HydrophobicContact CD2-CE 3.55Å; L294-M323 HydrophobicContact CG-CE 4.16Å; L294-M323 WeakPolarHBondContact O-CE 3.42Å; L294-I329 HydrophobicContact CD1-CD1 4.21Å; L294-I329 HydrophobicContact CD2-CD1 4.45Å; L294-I329 HydrophobicContact CD2-CG1 3.98Å; L294-Y331 HydrophobicContact CB-CD1 4.47Å; L294-Y331 HydrophobicContact CB-CE1 4.05Å; L294-F334 HydrophobicContact CD1-CB 3.85Å; L294-F334 HydrophobicContact CD1-CD1 3.98Å; L294-F334 HydrophobicContact CD1-CD2 3.68Å; L294-F334 HydrophobicContact CD1-CE1 4.47Å; L294-F334 HydrophobicContact CD1-CE2 4.22Å; L294-F334 HydrophobicContact CD1-CG 3.55Å
295Q98.1Very high96.7Very high38 Ų3839.2 Ų39.218%0.17819%0.19CC..Hα-helixtrans-62.9-39.9174.1-71.8169.610300113.1W291 Q292 F293 S299 Y331 N393W291-Q295 VanDerWaalsContact CD1-NE2 3.35Å; W291-Q295 HydrophobicContact CD2-CG 4.25Å; W291-Q295 HydrophobicContact CH2-CG 4.1Å; W291-Q295 HydrophobicContact CZ2-CG 3.81Å; W291-Q295 HydrophobicContact CZ3-CG 4.44Å; W291-Q295 VanDerWaalsContact NE1-NE2 3.2Å; W291-Q295 WeakPolarHBondContact O-CG 3.3Å; W291-Q295 PolarHBondContact O-N 3.28Å; W291-Q295 VanDerWaalsContact O-N 3.09Å; W291-Q295 PolarHBondContact O-NE2 3.38Å; W291-Q295 VanDerWaalsContact O-NE2 3.07Å; Q292-Q295 PolarHBondContact O-N 3.19Å; F293-Q295 VanDerWaalsContact C-N 3.3Å; F293-Q295 PolarHBondContact O-N 3.3Å; Q295-S299 WeakPolarHBondContact O-CB 3.45Å; Q295-S299 PolarHBondContact O-N 2.99Å; Q295-S299 PolarHBondContact O-OG 3.37Å; Q295-Y331 VanDerWaalsContact CA-OH 3.27Å; Q295-Y331 WeakPolarHBondContact CA-OH 3.26Å; Q295-Y331 VanDerWaalsContact CG-OH 3.29Å; Q295-Y331 WeakPolarHBondContact CG-OH 3.43Å; Q295-N393 PolarHBondContact OE1-ND2 2.86Å
296N96.7Very high96.7Very high84 Ų8443 Ų4345%0.44921%0.208SC..Hα-helixtrans-69-40.2178-67.2-10.4000111.6Q292 F293 L294 S299 A300Q292-N296 PolarHBondContact NE2-OD1 3.49Å; Q292-N296 PolarHBondContact O-N 3.28Å; Q292-N296 PolarHBondContact O-OD1 3Å; F293-N296 WeakPolarHBondContact O-CB 3.34Å; F293-N296 PolarHBondContact O-N 3.37Å; L294-N296 VanDerWaalsContact C-N 3.34Å; L294-N296 PolarHBondContact O-N 3.45Å; N296-S299 PolarHBondContact O-N 2.9Å; N296-A300 WeakPolarHBondContact O-CB 3.27Å; N296-A300 PolarHBondContact O-N 3.18Å
297E97.1Very high96.7Very high57 Ų5750 Ų5027%0.26624%0.241SC..Hα-helixtrans-63.1-47175.8-68.9-58.2106.800111.2F293 L294 S299 A300 V301 M323F293-E297 HydrophobicContact CD1-CG 4.29Å; F293-E297 HydrophobicContact CD2-CG 4.12Å; F293-E297 HydrophobicContact CE1-CG 3.82Å; F293-E297 HydrophobicContact CE2-CG 3.63Å; F293-E297 HydrophobicContact CG-CG 4.43Å; F293-E297 HydrophobicContact CZ-CG 3.46Å; F293-E297 VanDerWaalsContact CZ-CG 3.46Å; F293-E297 WeakPolarHBondContact O-CG 3.39Å; F293-E297 PolarHBondContact O-N 3.47Å; L294-E297 PolarHBondContact O-N 2.89Å; E297-S299 VanDerWaalsContact C-N 3.3Å; E297-S299 PolarHBondContact O-N 2.97Å; E297-A300 WeakPolarHBondContact O-CB 2.88Å; E297-A300 PolarHBondContact O-N 3.27Å; E297-A300 VanDerWaalsContact O-N 3.15Å; E297-V301 WeakPolarHBondContact O-CG2 3.28Å; E297-V301 PolarHBondContact O-N 2.87Å; E297-M323 HydrophobicContact CB-CE 4.14Å; E297-M323 HydrophobicContact CB-CG 4.37Å
298L97.6Very high96.6Very high2 Ų255.3 Ų55.31%0.0126%0.261CS..Hα-helixtrans-59.7-44.1175.2-17561.9000111.2L294 A300 V301 Q302 C319 M323 Y331 D395L294-L298 PolarHBondContact O-N 3.25Å; L298-A300 VanDerWaalsContact C-N 3.28Å; L298-A300 PolarHBondContact O-N 3.41Å; L298-V301 PolarHBondContact O-N 3.09Å; L298-Q302 HydrophobicContact CD1-CG 4.48Å; L298-Q302 HydrophobicContact CG-CG 4.39Å; L298-Q302 WeakPolarHBondContact O-CB 3.42Å; L298-Q302 VanDerWaalsContact O-CG 3.24Å; L298-Q302 WeakPolarHBondContact O-CG 3.21Å; L298-Q302 PolarHBondContact O-N 3.07Å; L298-C319 HydrophobicContact CD1-CB 3.74Å; L298-M323 HydrophobicContact CB-CE 4.41Å; L298-M323 HydrophobicContact CB-SD 3.69Å; L298-M323 HydrophobicContact CD1-CB 4.46Å; L298-M323 HydrophobicContact CD1-SD 3.98Å; L298-M323 HydrophobicContact CG-SD 4.34Å; L298-Y331 HydrophobicContact CB-CE1 4.3Å; L298-Y331 HydrophobicContact CD2-CD2 4.3Å; L298-Y331 HydrophobicContact CD2-CE1 4.1Å; L298-Y331 HydrophobicContact CD2-CE2 3.6Å; L298-Y331 VanDerWaalsContact CD2-CZ 3.48Å; L298-Y331 WeakPolarHBondContact CD2-OH 3.28Å; L298-D395 HydrophobicContact CD2-CB 3.65Å
299S97.5Very high96.5Very high38 Ų3858.7 Ų58.727%0.26627%0.271SS..Hα-helixtrans-63-35.3177.8-59.40000112.2Q295 N296 E297 R303Q295-S299 WeakPolarHBondContact O-CB 3.45Å; Q295-S299 PolarHBondContact O-N 2.99Å; Q295-S299 PolarHBondContact O-OG 3.37Å; N296-S299 PolarHBondContact O-N 2.9Å; E297-S299 VanDerWaalsContact C-N 3.3Å; E297-S299 PolarHBondContact O-N 2.97Å; S299-R303 WeakPolarHBondContact O-CG 2.97Å; S299-R303 PolarHBondContact O-N 3.33Å; S299-R303 VanDerWaalsContact O-N 3.1Å; S299-R303 PolarHBondContact O-NH1 2.95Å
300A95.7Very high96.3Very high31 Ų3165.1 Ų65.126%0.25631%0.305SS..Hα-helixtrans-66.6-49.9175.400000110.6N296 E297 L298 Q302 R303 E304N296-A300 WeakPolarHBondContact O-CB 3.27Å; N296-A300 PolarHBondContact O-N 3.18Å; E297-A300 WeakPolarHBondContact O-CB 2.88Å; E297-A300 PolarHBondContact O-N 3.27Å; E297-A300 VanDerWaalsContact O-N 3.15Å; L298-A300 VanDerWaalsContact C-N 3.28Å; L298-A300 PolarHBondContact O-N 3.41Å; A300-Q302 VanDerWaalsContact C-N 3.33Å; A300-Q302 PolarHBondContact O-N 3.38Å; A300-R303 PolarHBondContact O-N 3.15Å; A300-R303 VanDerWaalsContact O-N 3.15Å; A300-E304 WeakPolarHBondContact O-CG 3.28Å; A300-E304 PolarHBondContact O-N 2.59Å
301V96.9Very high96.1Very high10 Ų1070.3 Ų70.36%0.06134%0.337CS..Hα-helixtrans-55.3-49.6175.2170.70000111E297 L298 R303 E304 I305 C319 I322 M323E297-V301 WeakPolarHBondContact O-CG2 3.28Å; E297-V301 PolarHBondContact O-N 2.87Å; L298-V301 PolarHBondContact O-N 3.09Å; V301-R303 VanDerWaalsContact C-N 3.3Å; V301-R303 PolarHBondContact O-N 2.94Å; V301-E304 PolarHBondContact O-N 3.22Å; V301-E304 VanDerWaalsContact O-N 3.13Å; V301-I305 HydrophobicContact CG1-CG1 4.41Å; V301-I305 VanDerWaalsContact O-CG1 3.29Å; V301-I305 WeakPolarHBondContact O-CG1 3.42Å; V301-I305 PolarHBondContact O-N 3.08Å; V301-C319 HydrophobicContact CG1-CB 4.09Å; V301-I322 HydrophobicContact CB-CG2 4.46Å; V301-I322 HydrophobicContact CG1-CB 3.75Å; V301-I322 HydrophobicContact CG1-CD1 4.3Å; V301-I322 HydrophobicContact CG1-CG2 3.73Å; V301-I322 HydrophobicContact CG2-CB 4.48Å; V301-I322 HydrophobicContact CG2-CG2 3.87Å; V301-M323 HydrophobicContact CG2-CB 4.22Å
302Q96.8Very high95.8Very high26 Ų2672.3 Ų72.312%0.12135%0.348CS..Hα-helixtrans-55.1-44.8178.3-76.1177.5-19.200112L298 A300 I305 E306 W315 C319 D395L298-Q302 HydrophobicContact CD1-CG 4.48Å; L298-Q302 HydrophobicContact CG-CG 4.39Å; L298-Q302 WeakPolarHBondContact O-CB 3.42Å; L298-Q302 VanDerWaalsContact O-CG 3.24Å; L298-Q302 WeakPolarHBondContact O-CG 3.21Å; L298-Q302 PolarHBondContact O-N 3.07Å; A300-Q302 VanDerWaalsContact C-N 3.33Å; A300-Q302 PolarHBondContact O-N 3.38Å; Q302-I305 CarbonylContact O-C 3.57Å; Q302-I305 PolarHBondContact O-N 3.1Å; Q302-E306 WeakPolarHBondContact O-CA 3.37Å; Q302-E306 WeakPolarHBondContact O-CB 3.3Å; Q302-E306 PolarHBondContact O-N 3.23Å; Q302-W315 HydrophobicContact CB-CH2 3.64Å; Q302-W315 HydrophobicContact CB-CZ2 4.07Å; Q302-W315 HydrophobicContact CG-CH2 3.51Å; Q302-W315 HydrophobicContact CG-CZ2 4.2Å; Q302-W315 HydrophobicContact CG-CZ3 4Å; Q302-W315 WeakPolarHBondContact O-CZ2 3.44Å; Q302-C319 HydrophobicContact CG-CB 4.21Å; Q302-D395 PolarHBondContact NE2-OD1 3.27Å
303R96.8Very high95.4Very high168 Ų16876.1 Ų76.163%0.63437%0.371SS*.Hα-helixtrans-63.9-42.4176.6-74.9-173.2-58.6-94.62.3112.8S299 A300 V301 I305S299-R303 WeakPolarHBondContact O-CG 2.97Å; S299-R303 PolarHBondContact O-N 3.33Å; S299-R303 VanDerWaalsContact O-N 3.1Å; S299-R303 PolarHBondContact O-NH1 2.95Å; A300-R303 PolarHBondContact O-N 3.15Å; A300-R303 VanDerWaalsContact O-N 3.15Å; V301-R303 VanDerWaalsContact C-N 3.3Å; V301-R303 PolarHBondContact O-N 2.94Å; R303-I305 PolarHBondContact O-N 3.48Å
304E95.6Very high95.2Very high152 Ų15277.3 Ų77.371%0.7138%0.384SS*.Hα-helixtrans-63.6-31.8179.7-69.8-57134.400112.2A300 V301A300-E304 WeakPolarHBondContact O-CG 3.28Å; A300-E304 PolarHBondContact O-N 2.59Å; V301-E304 PolarHBondContact O-N 3.22Å; V301-E304 VanDerWaalsContact O-N 3.13Å
305I95.3Very high95Very high15 Ų1577.7 Ų77.78%0.07739%0.385CS..THydrogen-bonded Turntrans-11315.2-173.876.2152.7000113.9V301 Q302 R303 E307 W308 W315 I322V301-I305 HydrophobicContact CG1-CG1 4.41Å; V301-I305 VanDerWaalsContact O-CG1 3.29Å; V301-I305 WeakPolarHBondContact O-CG1 3.42Å; V301-I305 PolarHBondContact O-N 3.08Å; Q302-I305 CarbonylContact O-C 3.57Å; Q302-I305 PolarHBondContact O-N 3.1Å; R303-I305 PolarHBondContact O-N 3.48Å; I305-E307 VanDerWaalsContact C-N 3.26Å; I305-E307 PolarHBondContact O-N 3.13Å; I305-W308 HydrophobicContact CB-CE3 3.58Å; I305-W308 HydrophobicContact CB-CZ3 3.51Å; I305-W308 HydrophobicContact CG2-CE3 4.15Å; I305-W308 HydrophobicContact CG2-CZ3 3.58Å; I305-W308 PolarHBondContact O-N 3.03Å; I305-W315 HydrophobicContact CG1-CZ2 4.23Å; I305-W315 PolarHBondContact O-NE1 2.92Å; I305-I322 HydrophobicContact CD1-CD1 3.84Å; I305-I322 HydrophobicContact CG2-CD1 4.03Å
306E96.3Very high94.8Very high82 Ų8278.8 Ų78.838%0.38339%0.39SS..G310 helixtrans-61-32.6-172.3-175.567.1-160.500112.5Q302 W308 R309 W315Q302-E306 WeakPolarHBondContact O-CA 3.37Å; Q302-E306 WeakPolarHBondContact O-CB 3.3Å; Q302-E306 PolarHBondContact O-N 3.23Å; E306-W308 PolarHBondContact O-N 3.27Å; E306-W308 VanDerWaalsContact O-N 3.12Å; E306-R309 WeakPolarHBondContact O-CB 3.37Å; E306-R309 PolarHBondContact O-N 3.47Å; E306-R309 WeakPolarHBondContact OE1-CD 3.46Å; E306-R309 IonicContact OE1-CZ 3.97Å; E306-R309 IonicContact OE1-NE 3.99Å; E306-R309 IonicContact OE1-NH1 3.11Å; E306-R309 PolarHBondContact OE1-NH1 3.26Å; E306-R309 VanDerWaalsContact OE1-NH1 3.11Å; E306-W315 WeakPolarHBondContact OE2-CZ2 3.38Å
307E95.8Very high94.6Very high149 Ų14979.6 Ų79.670%0.69639%0.391SS*.G310 helixtrans-61.1-24.7-177.362.3171.5-150.300113.7I305I305-E307 VanDerWaalsContact C-N 3.26Å; I305-E307 PolarHBondContact O-N 3.13Å
308W94.3Very high94.5Very high111 Ų11180.7 Ų80.742%0.4240%0.396SS..G310 helixtrans-941179.2-51.3-54.5000113.8I305 E306 N310 T311 M312I305-W308 HydrophobicContact CB-CE3 3.58Å; I305-W308 HydrophobicContact CB-CZ3 3.51Å; I305-W308 HydrophobicContact CG2-CE3 4.15Å; I305-W308 HydrophobicContact CG2-CZ3 3.58Å; I305-W308 PolarHBondContact O-N 3.03Å; E306-W308 PolarHBondContact O-N 3.27Å; E306-W308 VanDerWaalsContact O-N 3.12Å; W308-N310 VanDerWaalsContact C-N 3.3Å; W308-N310 PolarHBondContact O-N 3.46Å; W308-T311 WeakPolarHBondContact CA-OG1 3.5Å; W308-T311 PolarHBondContact O-N 2.86Å; W308-T311 VanDerWaalsContact O-N 3.09Å; W308-T311 PolarHBondContact O-OG1 3.5Å; W308-T311 VanDerWaalsContact O-OG1 3.06Å; W308-M312 WeakPolarHBondContact O-CB 3.15Å; W308-M312 PolarHBondContact O-N 3.18Å
309R93.1Very high94.4Very high104 Ų10480.6 Ų80.639%0.39240%0.396SS..THydrogen-bonded Turntrans-56.8-39.4-173.2-176.4175-179.8-159.81.2114.2E306 W315E306-R309 WeakPolarHBondContact O-CB 3.37Å; E306-R309 PolarHBondContact O-N 3.47Å; E306-R309 WeakPolarHBondContact OE1-CD 3.46Å; E306-R309 IonicContact OE1-CZ 3.97Å; E306-R309 IonicContact OE1-NE 3.99Å; E306-R309 IonicContact OE1-NH1 3.11Å; E306-R309 PolarHBondContact OE1-NH1 3.26Å; E306-R309 VanDerWaalsContact OE1-NH1 3.11Å; R309-W315 VanDerWaalsContact CA-CD1 3.47Å; R309-W315 HydrophobicContact CB-CD2 3.99Å; R309-W315 HydrophobicContact CB-CG 4.18Å; R309-W315 HydrophobicContact CB-CZ2 4.2Å; R309-W315 HydrophobicContact CG-CD2 3.81Å; R309-W315 HydrophobicContact CG-CE3 3.91Å; R309-W315 HydrophobicContact CG-CG 4.24Å; R309-W315 HydrophobicContact CG-CH2 4.36Å; R309-W315 HydrophobicContact CG-CZ2 4.3Å; R309-W315 HydrophobicContact CG-CZ3 4.2Å
310N93Very high94.4Very high157 Ų15779.1 Ų79.184%0.8438%0.384SS*.THydrogen-bonded Turntrans-89-10.7-178.1-62.1-45000113.5W308W308-N310 VanDerWaalsContact C-N 3.3Å; W308-N310 PolarHBondContact O-N 3.46Å
311T92.9Very high94.4Very high111 Ų11181.2 Ų81.268%0.68139%0.394SS*.THydrogen-bonded Turntrans-105.5-14.7-17853.70000113.1W308W308-T311 WeakPolarHBondContact CA-OG1 3.5Å; W308-T311 PolarHBondContact O-N 2.86Å; W308-T311 VanDerWaalsContact O-N 3.09Å; W308-T311 PolarHBondContact O-OG1 3.5Å; W308-T311 VanDerWaalsContact O-OG1 3.06Å
312M91.1Very high94.3Very high55 Ų5583.8 Ų83.827%0.27141%0.407SS..  trans-113.9103.4-178.9-176.4-174.1-72.300109.6W308 S314 W315 H318W308-M312 WeakPolarHBondContact O-CB 3.15Å; W308-M312 PolarHBondContact O-N 3.18Å; M312-S314 PolarHBondContact O-N 3.32Å; M312-S314 VanDerWaalsContact O-N 3.09Å; M312-W315 HydrophobicContact CB-CB 4.19Å; M312-W315 HydrophobicContact CG-CB 4.32Å; M312-W315 VanDerWaalsContact O-CB 3.25Å; M312-W315 WeakPolarHBondContact O-CB 3.43Å; M312-W315 PolarHBondContact O-N 3.4Å; M312-W315 HydrophobicContact SD-CB 4.34Å; M312-H318 HydrophobicContact SD-CB 3.74Å; M312-H318 PolarHBondContact SD-ND1 3.36Å; M312-H318 VanDerWaalsContact SD-ND1 3.39Å
313D88.6Confident94.3Very high176 Ų17682.6 Ų82.694%0.94140%0.401SS*.THydrogen-bonded Turntrans-58.1-28.5-177.9-65.9-23.7000113.2
314S91.7Very high94.2Very high58 Ų5878.3 Ų78.341%0.40639%0.387SS..THydrogen-bonded Turntrans-10327.8178.656.10000113.4M312 H316 Q317 H318M312-S314 PolarHBondContact O-N 3.32Å; M312-S314 VanDerWaalsContact O-N 3.09Å; S314-H316 VanDerWaalsContact C-N 3.33Å; S314-H316 PolarHBondContact O-N 2.78Å; S314-Q317 WeakPolarHBondContact O-CB 3.43Å; S314-Q317 PolarHBondContact O-N 2.97Å; S314-H318 PolarHBondContact O-N 2.93Å; S314-H318 PolarHBondContact O-ND1 3.06Å; S314-H318 PolarHBondContact OG-CE1 3.02Å; S314-H318 PolarHBondContact OG-ND1 2.89Å
315W94.9Very high94.2Very high7 Ų775.9 Ų75.93%0.02739%0.387CS..Hα-helixtrans-54.1-44.3-176.2-178.384.5000113.6Q302 I305 E306 R309 M312 Q317 H318 C319Q302-W315 HydrophobicContact CB-CH2 3.64Å; Q302-W315 HydrophobicContact CB-CZ2 4.07Å; Q302-W315 HydrophobicContact CG-CH2 3.51Å; Q302-W315 HydrophobicContact CG-CZ2 4.2Å; Q302-W315 HydrophobicContact CG-CZ3 4Å; Q302-W315 WeakPolarHBondContact O-CZ2 3.44Å; I305-W315 HydrophobicContact CG1-CZ2 4.23Å; I305-W315 PolarHBondContact O-NE1 2.92Å; E306-W315 WeakPolarHBondContact OE2-CZ2 3.38Å; R309-W315 VanDerWaalsContact CA-CD1 3.47Å; R309-W315 HydrophobicContact CB-CD2 3.99Å; R309-W315 HydrophobicContact CB-CG 4.18Å; R309-W315 HydrophobicContact CB-CZ2 4.2Å; R309-W315 HydrophobicContact CG-CD2 3.81Å; R309-W315 HydrophobicContact CG-CE3 3.91Å; R309-W315 HydrophobicContact CG-CG 4.24Å; R309-W315 HydrophobicContact CG-CH2 4.36Å; R309-W315 HydrophobicContact CG-CZ2 4.3Å; R309-W315 HydrophobicContact CG-CZ3 4.2Å; M312-W315 HydrophobicContact CB-CB 4.19Å; M312-W315 HydrophobicContact CG-CB 4.32Å; M312-W315 VanDerWaalsContact O-CB 3.25Å; M312-W315 WeakPolarHBondContact O-CB 3.43Å; M312-W315 PolarHBondContact O-N 3.4Å; M312-W315 HydrophobicContact SD-CB 4.34Å; W315-Q317 VanDerWaalsContact C-N 3.32Å; W315-Q317 PolarHBondContact O-N 2.89Å; W315-H318 PolarHBondContact O-N 3.42Å; W315-C319 PolarHBondContact O-N 3.19Å; W315-C319 PolarHBondContact O-SG 2.78Å
316H93.5Very high94Very high62 Ų6279.4 Ų79.429%0.28741%0.412SS..Hα-helixtrans-62.4-37.7177.9-71-72.4000112.6S314 C319 Q320S314-H316 VanDerWaalsContact C-N 3.33Å; S314-H316 PolarHBondContact O-N 2.78Å; H316-C319 WeakPolarHBondContact O-CB 3.44Å; H316-C319 PolarHBondContact O-N 3.48Å; H316-Q320 PolarHBondContact O-N 3.39Å
317Q92.9Very high93.8Very high101 Ų10176 Ų7647%0.47240%0.397SS..Hα-helixtrans-67.3-40.8175.9-173.864.717.400111S314 W315 C319 Q320 V321S314-Q317 WeakPolarHBondContact O-CB 3.43Å; S314-Q317 PolarHBondContact O-N 2.97Å; W315-Q317 VanDerWaalsContact C-N 3.32Å; W315-Q317 PolarHBondContact O-N 2.89Å; Q317-C319 VanDerWaalsContact C-N 3.32Å; Q317-C319 PolarHBondContact O-N 3.46Å; Q317-Q320 PolarHBondContact O-N 2.94Å; Q317-V321 WeakPolarHBondContact O-CG2 3.35Å; Q317-V321 PolarHBondContact O-N 2.99Å
318H94.6Very high93.7Very high80 Ų8070.7 Ų70.737%0.3738%0.383SS..Hα-helixtrans-64.6-36.7175.3-74.682.3000111.9M312 S314 W315 Q320 V321 I322M312-H318 HydrophobicContact SD-CB 3.74Å; M312-H318 PolarHBondContact SD-ND1 3.36Å; M312-H318 VanDerWaalsContact SD-ND1 3.39Å; S314-H318 PolarHBondContact O-N 2.93Å; S314-H318 PolarHBondContact O-ND1 3.06Å; S314-H318 PolarHBondContact OG-CE1 3.02Å; S314-H318 PolarHBondContact OG-ND1 2.89Å; W315-H318 PolarHBondContact O-N 3.42Å; H318-Q320 VanDerWaalsContact C-N 3.3Å; H318-Q320 PolarHBondContact O-N 3.19Å; H318-V321 PolarHBondContact O-N 2.93Å; H318-I322 VanDerWaalsContact O-CG1 3.31Å; H318-I322 WeakPolarHBondContact O-CG1 3.35Å; H318-I322 PolarHBondContact O-N 3.04Å
319C96.5Very high93.7Very high0 Ų065.6 Ų65.60%036%0.364CS..Hα-helixtrans-57.3-44.1172.2-64.10000111.4L298 V301 Q302 W315 H316 Q317 I322 M323L298-C319 HydrophobicContact CD1-CB 3.74Å; V301-C319 HydrophobicContact CG1-CB 4.09Å; Q302-C319 HydrophobicContact CG-CB 4.21Å; W315-C319 PolarHBondContact O-N 3.19Å; W315-C319 PolarHBondContact O-SG 2.78Å; H316-C319 WeakPolarHBondContact O-CB 3.44Å; H316-C319 PolarHBondContact O-N 3.48Å; Q317-C319 VanDerWaalsContact C-N 3.32Å; Q317-C319 PolarHBondContact O-N 3.46Å; C319-I322 PolarHBondContact O-N 3.13Å; C319-M323 WeakPolarHBondContact O-CB 3.19Å; C319-M323 PolarHBondContact O-N 3.07Å
320Q96.1Very high93.8Very high6 Ų662.1 Ų62.13%0.02835%0.353CS..Hα-helixtrans-65.2-40.8177.2-65.6-71.1-21.800112H316 Q317 H318 M323 K324 D330 Y331 L399H316-Q320 PolarHBondContact O-N 3.39Å; Q317-Q320 PolarHBondContact O-N 2.94Å; H318-Q320 VanDerWaalsContact C-N 3.3Å; H318-Q320 PolarHBondContact O-N 3.19Å; Q320-M323 PolarHBondContact O-N 3.11Å; Q320-K324 WeakPolarHBondContact O-CB 3.04Å; Q320-K324 PolarHBondContact O-N 2.87Å; Q320-D330 HydrophobicContact CB-CB 4.33Å; Q320-Y331 VanDerWaalsContact OE1-N 3.12Å; Q320-L399 HydrophobicContact CG-CD2 3.7Å
321V95.4Very high94Very high76 Ų7654.7 Ų54.746%0.46131%0.313SS..Hα-helixtrans-63.7-44177.21720000112Q317 H318 S325Q317-V321 WeakPolarHBondContact O-CG2 3.35Å; Q317-V321 PolarHBondContact O-N 2.99Å; H318-V321 PolarHBondContact O-N 2.93Å; V321-S325 PolarHBondContact O-N 3.44Å; V321-S325 PolarHBondContact O-OG 3.21Å
322I96.1Very high94.1Very high64 Ų6450 Ų5033%0.32829%0.287SS..Hα-helixtrans-66.8-48177.4-64.7167.3000109.6V301 I305 H318 C319 K324 S325 C326V301-I322 HydrophobicContact CB-CG2 4.46Å; V301-I322 HydrophobicContact CG1-CB 3.75Å; V301-I322 HydrophobicContact CG1-CD1 4.3Å; V301-I322 HydrophobicContact CG1-CG2 3.73Å; V301-I322 HydrophobicContact CG2-CB 4.48Å; V301-I322 HydrophobicContact CG2-CG2 3.87Å; I305-I322 HydrophobicContact CD1-CD1 3.84Å; I305-I322 HydrophobicContact CG2-CD1 4.03Å; H318-I322 VanDerWaalsContact O-CG1 3.31Å; H318-I322 WeakPolarHBondContact O-CG1 3.35Å; H318-I322 PolarHBondContact O-N 3.04Å; C319-I322 PolarHBondContact O-N 3.13Å; I322-K324 VanDerWaalsContact C-N 3.34Å; I322-K324 PolarHBondContact O-N 3.36Å; I322-S325 WeakPolarHBondContact O-CA 3.28Å; I322-S325 WeakPolarHBondContact O-CB 3.34Å; I322-S325 PolarHBondContact O-N 2.97Å; I322-C326 PolarHBondContact O-N 3.16Å; I322-C326 VanDerWaalsContact O-N 3.11Å; I322-C326 PolarHBondContact O-SG 2.85Å
323M95.9Very high94.3Very high0 Ų049.7 Ų49.70%029%0.285CS..Hα-helixtrans-52.4-52.4176176.6-172.2179.900110.7L294 E297 L298 V301 C319 Q320 S325 C326 S327 Y331L294-M323 HydrophobicContact CB-CE 3.64Å; L294-M323 HydrophobicContact CD2-CE 3.55Å; L294-M323 HydrophobicContact CG-CE 4.16Å; L294-M323 WeakPolarHBondContact O-CE 3.42Å; E297-M323 HydrophobicContact CB-CE 4.14Å; E297-M323 HydrophobicContact CB-CG 4.37Å; L298-M323 HydrophobicContact CB-CE 4.41Å; L298-M323 HydrophobicContact CB-SD 3.69Å; L298-M323 HydrophobicContact CD1-CB 4.46Å; L298-M323 HydrophobicContact CD1-SD 3.98Å; L298-M323 HydrophobicContact CG-SD 4.34Å; V301-M323 HydrophobicContact CG2-CB 4.22Å; C319-M323 WeakPolarHBondContact O-CB 3.19Å; C319-M323 PolarHBondContact O-N 3.07Å; Q320-M323 PolarHBondContact O-N 3.11Å; M323-S325 PolarHBondContact O-N 3.02Å; M323-S325 VanDerWaalsContact O-N 3.16Å; M323-C326 CarbonylContact O-C 3.39Å; M323-C326 WeakPolarHBondContact O-CA 3.36Å; M323-C326 PolarHBondContact O-N 2.8Å; M323-S327 PolarHBondContact O-N 2.89Å; M323-S327 PolarHBondContact O-OG 3.42Å; M323-Y331 HydrophobicContact CE-CD1 4.01Å; M323-Y331 HydrophobicContact CE-CE1 3.89Å; M323-Y331 HydrophobicContact SD-CD1 4.16Å; M323-Y331 HydrophobicContact SD-CE1 4.18Å
324K95.6Very high94.7Very high78 Ų7841.3 Ų41.334%0.33924%0.24SC..Hα-helixtrans-52.3-40.2177.1-175.8172.5-177.8159.50112.9Q320 I322 C326 G328 D330 E333Q320-K324 WeakPolarHBondContact O-CB 3.04Å; Q320-K324 PolarHBondContact O-N 2.87Å; I322-K324 VanDerWaalsContact C-N 3.34Å; I322-K324 PolarHBondContact O-N 3.36Å; K324-C326 VanDerWaalsContact C-N 3.28Å; K324-C326 PolarHBondContact O-N 2.89Å; K324-G328 CarbonylContact O-C 3.3Å; K324-G328 WeakPolarHBondContact O-CA 3.37Å; K324-G328 PolarHBondContact O-N 3.08Å; K324-D330 HydrophobicContact CB-CB 4.15Å; K324-E333 VanDerWaalsContact CE-CD 3.48Å; K324-E333 VanDerWaalsContact CE-OE1 3.28Å; K324-E333 WeakPolarHBondContact CE-OE1 3.4Å; K324-E333 WeakPolarHBondContact CE-OE2 3.14Å; K324-E333 IonicContact NZ-OE1 2.81Å; K324-E333 PolarHBondContact NZ-OE1 3.15Å; K324-E333 IonicContact NZ-OE2 3Å; K324-E333 PolarHBondContact NZ-OE2 3.42Å; K324-E333 VanDerWaalsContact NZ-OE2 3.15Å
325S94.1Very high94.9Very high102 Ų10238.9 Ų38.971%0.71322%0.223SC*.Hα-helixtrans-69.7-26.2178.8-54.90000112.7V321 I322 M323V321-S325 PolarHBondContact O-N 3.44Å; V321-S325 PolarHBondContact O-OG 3.21Å; I322-S325 WeakPolarHBondContact O-CA 3.28Å; I322-S325 WeakPolarHBondContact O-CB 3.34Å; I322-S325 PolarHBondContact O-N 2.97Å; M323-S325 PolarHBondContact O-N 3.02Å; M323-S325 VanDerWaalsContact O-N 3.16Å
326C90.9Very high95Very high88 Ų8840 Ų4060%0.59523%0.231SC*.Hα-helixtrans-91.2-47.2179.4-64.10000113.1I322 M323 K324I322-C326 PolarHBondContact O-N 3.16Å; I322-C326 VanDerWaalsContact O-N 3.11Å; I322-C326 PolarHBondContact O-SG 2.85Å; M323-C326 CarbonylContact O-C 3.39Å; M323-C326 WeakPolarHBondContact O-CA 3.36Å; M323-C326 PolarHBondContact O-N 2.8Å; K324-C326 VanDerWaalsContact C-N 3.28Å; K324-C326 PolarHBondContact O-N 2.89Å
327S92.5Very high95.1Very high10 Ų1037.1 Ų37.17%0.0722%0.217CC..Hα-helixtrans-92.2-17.1-175.855.50000113.5F190 M323 I329F190-S327 WeakPolarHBondContact CE1-O 3.37Å; F190-S327 VanDerWaalsContact CZ-O 3.26Å; F190-S327 WeakPolarHBondContact CZ-O 3.37Å; M323-S327 PolarHBondContact O-N 2.89Å; M323-S327 PolarHBondContact O-OG 3.42Å; S327-I329 VanDerWaalsContact C-N 3.34Å; S327-I329 PolarHBondContact OG-O 3.38Å
328G93.4Very high95.4Very high38 Ų3832.3 Ų32.339%0.39220%0.195SC..SBendtrans92.5-22-176.600000114.5K324K324-G328 CarbonylContact O-C 3.3Å; K324-G328 WeakPolarHBondContact O-CA 3.37Å; K324-G328 PolarHBondContact O-N 3.08Å
329I95.1Very high95.5Very high5 Ų530.9 Ų30.93%0.02619%0.188CC..  trans-140.9152.5173.568.9171.4000111.9W163 F190 M290 L294 S327 E333 F334W163-I329 HydrophobicContact CH2-CG2 4.43Å; W163-I329 HydrophobicContact CZ2-CG2 4.2Å; F190-I329 HydrophobicContact CE1-CD1 4.32Å; F190-I329 HydrophobicContact CE1-CG1 3.87Å; F190-I329 HydrophobicContact CZ-CD1 4.46Å; F190-I329 HydrophobicContact CZ-CG1 4.11Å; F190-I329 HydrophobicContact CZ-CG2 4.32Å; M290-I329 HydrophobicContact CE-CD1 3.36Å; M290-I329 HydrophobicContact CE-CG1 4.38Å; L294-I329 HydrophobicContact CD1-CD1 4.21Å; L294-I329 HydrophobicContact CD2-CD1 4.45Å; L294-I329 HydrophobicContact CD2-CG1 3.98Å; S327-I329 VanDerWaalsContact C-N 3.34Å; S327-I329 PolarHBondContact OG-O 3.38Å; I329-E333 WeakPolarHBondContact CA-OE2 3.33Å; I329-E333 HydrophobicContact CB-CB 3.97Å; I329-E333 HydrophobicContact CG2-CB 4.34Å; I329-F334 HydrophobicContact CD1-CB 4.06Å; I329-F334 HydrophobicContact CD1-CD2 4.22Å
330D95.8Very high95.5Very high30 Ų3031.8 Ų31.816%0.1619%0.192CC..  trans-97-179.716964.641.2000112.8Q320 K324 G332 E333 F334Q320-D330 HydrophobicContact CB-CB 4.33Å; K324-D330 HydrophobicContact CB-CB 4.15Å; D330-G332 VanDerWaalsContact C-N 3.29Å; D330-G332 PolarHBondContact O-N 3.13Å; D330-G332 VanDerWaalsContact OD1-CA 3.32Å; D330-G332 WeakPolarHBondContact OD1-CA 3.21Å; D330-G332 PolarHBondContact OD1-N 3.41Å; D330-E333 PolarHBondContact N-OE2 2.62Å; D330-E333 PolarHBondContact O-N 2.88Å; D330-E333 PolarHBondContact OD1-N 2.85Å; D330-F334 PolarHBondContact O-N 2.81Å
331Y96.4Very high95.5Very high2 Ų231.5 Ų31.51%0.00819%0.191CC..Hα-helixtrans-64.1-31.2177.6-82.615.1000113.9W291 L294 Q295 L298 Q320 M323 A335 D395 F396 L399W291-Y331 HydrophobicContact CH2-CD1 4.21Å; W291-Y331 AromaticContact CH2-CD2 3.92Å; W291-Y331 HydrophobicContact CH2-CD2 3.92Å; W291-Y331 AromaticContact CH2-CE1 3.87Å; W291-Y331 HydrophobicContact CH2-CE1 3.87Å; W291-Y331 AromaticContact CH2-CE2 3.57Å; W291-Y331 HydrophobicContact CH2-CE2 3.57Å; W291-Y331 HydrophobicContact CH2-CG 4.22Å; W291-Y331 AromaticContact CH2-CZ 3.54Å; W291-Y331 AromaticContact CZ3-CD1 3.73Å; W291-Y331 HydrophobicContact CZ3-CD1 3.73Å; W291-Y331 HydrophobicContact CZ3-CD2 4.24Å; W291-Y331 AromaticContact CZ3-CE1 3.57Å; W291-Y331 HydrophobicContact CZ3-CE1 3.57Å; W291-Y331 HydrophobicContact CZ3-CE2 4.11Å; W291-Y331 HydrophobicContact CZ3-CG 4.06Å; W291-Y331 AromaticContact CZ3-CZ 3.77Å; L294-Y331 HydrophobicContact CB-CD1 4.47Å; L294-Y331 HydrophobicContact CB-CE1 4.05Å; Q295-Y331 VanDerWaalsContact CA-OH 3.27Å; Q295-Y331 WeakPolarHBondContact CA-OH 3.26Å; Q295-Y331 VanDerWaalsContact CG-OH 3.29Å; Q295-Y331 WeakPolarHBondContact CG-OH 3.43Å; L298-Y331 HydrophobicContact CB-CE1 4.3Å; L298-Y331 HydrophobicContact CD2-CD2 4.3Å; L298-Y331 HydrophobicContact CD2-CE1 4.1Å; L298-Y331 HydrophobicContact CD2-CE2 3.6Å; L298-Y331 VanDerWaalsContact CD2-CZ 3.48Å; L298-Y331 WeakPolarHBondContact CD2-OH 3.28Å; Q320-Y331 VanDerWaalsContact OE1-N 3.12Å; M323-Y331 HydrophobicContact CE-CD1 4.01Å; M323-Y331 HydrophobicContact CE-CE1 3.89Å; M323-Y331 HydrophobicContact SD-CD1 4.16Å; M323-Y331 HydrophobicContact SD-CE1 4.18Å; Y331-A335 PolarHBondContact O-N 2.79Å; Y331-D395 HydrophobicContact CE2-CB 3.98Å; Y331-F396 HydrophobicContact CD2-CB 4.14Å; Y331-F396 HydrophobicContact CD2-CD2 4.11Å; Y331-F396 HydrophobicContact CE2-CB 4.47Å; Y331-L399 HydrophobicContact CD2-CD1 4.43Å
332G95.1Very high95.6Very high13 Ų1327.9 Ų27.913%0.13417%0.169CC..Hα-helixtrans-70.5-45.3178.300000111.2D330 F334 A335 T336D330-G332 VanDerWaalsContact C-N 3.29Å; D330-G332 PolarHBondContact O-N 3.13Å; D330-G332 VanDerWaalsContact OD1-CA 3.32Å; D330-G332 WeakPolarHBondContact OD1-CA 3.21Å; D330-G332 PolarHBondContact OD1-N 3.41Å; G332-F334 VanDerWaalsContact C-N 3.29Å; G332-F334 PolarHBondContact O-N 3.48Å; G332-A335 WeakPolarHBondContact O-CB 3.38Å; G332-A335 PolarHBondContact O-N 3.27Å; G332-A335 VanDerWaalsContact O-N 3.08Å; G332-T336 PolarHBondContact O-N 3.5Å; G332-T336 PolarHBondContact O-OG1 3.17Å
333E95Very high95.6Very high48 Ų4826.8 Ų26.822%0.22416%0.164CC..Hα-helixtrans-63.2-35.6173.1-75.1179.9147.800112K324 I329 D330 A335 T336 F337K324-E333 VanDerWaalsContact CE-CD 3.48Å; K324-E333 VanDerWaalsContact CE-OE1 3.28Å; K324-E333 WeakPolarHBondContact CE-OE1 3.4Å; K324-E333 WeakPolarHBondContact CE-OE2 3.14Å; K324-E333 IonicContact NZ-OE1 2.81Å; K324-E333 PolarHBondContact NZ-OE1 3.15Å; K324-E333 IonicContact NZ-OE2 3Å; K324-E333 PolarHBondContact NZ-OE2 3.42Å; K324-E333 VanDerWaalsContact NZ-OE2 3.15Å; I329-E333 WeakPolarHBondContact CA-OE2 3.33Å; I329-E333 HydrophobicContact CB-CB 3.97Å; I329-E333 HydrophobicContact CG2-CB 4.34Å; D330-E333 PolarHBondContact N-OE2 2.62Å; D330-E333 PolarHBondContact O-N 2.88Å; D330-E333 PolarHBondContact OD1-N 2.85Å; E333-A335 VanDerWaalsContact C-N 3.34Å; E333-A335 PolarHBondContact O-N 2.98Å; E333-T336 PolarHBondContact O-N 3.08Å; E333-F337 WeakPolarHBondContact O-CB 3.39Å; E333-F337 PolarHBondContact O-N 3.43Å
334F96.9Very high95.5Very high0 Ų028.1 Ų28.10%017%0.171CC..Hα-helixtrans-64.7-35.8171.4-173.9-118.2000112.7V287 M290 W291 L294 I329 D330 G332 F337 L338 I386 M390V287-F334 HydrophobicContact CG2-CE2 4.29Å; V287-F334 HydrophobicContact CG2-CZ 4.01Å; M290-F334 HydrophobicContact CE-CD2 4.04Å; M290-F334 HydrophobicContact CE-CE2 4.23Å; M290-F334 HydrophobicContact CG-CE2 4.08Å; M290-F334 HydrophobicContact SD-CD2 3.97Å; M290-F334 HydrophobicContact SD-CE2 3.54Å; M290-F334 VanDerWaalsContact SD-CE2 3.54Å; W291-F334 HydrophobicContact CB-CE1 4.02Å; W291-F334 HydrophobicContact CB-CZ 4.08Å; W291-F334 AromaticContact CD2-CE1 3.98Å; W291-F334 HydrophobicContact CD2-CE1 3.98Å; W291-F334 AromaticContact CE3-CD1 3.57Å; W291-F334 HydrophobicContact CE3-CD1 3.57Å; W291-F334 AromaticContact CE3-CE1 3.45Å; W291-F334 HydrophobicContact CE3-CE1 3.45Å; W291-F334 VanDerWaalsContact CE3-CE1 3.45Å; W291-F334 HydrophobicContact CE3-CZ 4.47Å; W291-F334 HydrophobicContact CG-CE1 4.24Å; W291-F334 AromaticContact CZ3-CD1 3.97Å; W291-F334 HydrophobicContact CZ3-CD1 3.97Å; W291-F334 HydrophobicContact CZ3-CE1 4.27Å; L294-F334 HydrophobicContact CD1-CB 3.85Å; L294-F334 HydrophobicContact CD1-CD1 3.98Å; L294-F334 HydrophobicContact CD1-CD2 3.68Å; L294-F334 HydrophobicContact CD1-CE1 4.47Å; L294-F334 HydrophobicContact CD1-CE2 4.22Å; L294-F334 HydrophobicContact CD1-CG 3.55Å; I329-F334 HydrophobicContact CD1-CB 4.06Å; I329-F334 HydrophobicContact CD1-CD2 4.22Å; D330-F334 PolarHBondContact O-N 2.81Å; G332-F334 VanDerWaalsContact C-N 3.29Å; G332-F334 PolarHBondContact O-N 3.48Å; F334-F337 HydrophobicContact CD2-CD1 4.06Å; F334-F337 AromaticContact CE2-CD1 3.97Å; F334-F337 HydrophobicContact CE2-CD1 3.97Å; F334-F337 HydrophobicContact CE2-CE1 4.35Å; F334-F337 WeakPolarHBondContact O-CB 3.09Å; F334-F337 PolarHBondContact O-N 2.98Å; F334-L338 HydrophobicContact CD1-CD1 4.41Å; F334-L338 HydrophobicContact CE1-CD1 3.99Å; F334-L338 HydrophobicContact CE1-CG 4.45Å; F334-L338 HydrophobicContact CE2-CD2 4.5Å; F334-L338 HydrophobicContact CZ-CD1 4.25Å; F334-L338 HydrophobicContact CZ-CD2 4.26Å; F334-L338 HydrophobicContact CZ-CG 4.32Å; F334-L338 WeakPolarHBondContact O-CG 3.5Å; F334-L338 PolarHBondContact O-N 3.38Å; F334-I386 HydrophobicContact CE1-CG2 3.76Å; F334-I386 HydrophobicContact CZ-CG2 3.97Å; F334-M390 HydrophobicContact CD1-CE 3.83Å; F334-M390 HydrophobicContact CD1-SD 3.58Å; F334-M390 VanDerWaalsContact CD1-SD 3.58Å; F334-M390 HydrophobicContact CE1-CE 4.46Å; F334-M390 HydrophobicContact CE1-CG 4.46Å; F334-M390 HydrophobicContact CE1-SD 3.62Å
335A96.6Very high95.5Very high6 Ų624.6 Ų24.65%0.0516%0.155CC..Hα-helixtrans-66-41.5172.200000111.8Y331 G332 E333 F337 L338 K339 M390 F396 L404Y331-A335 PolarHBondContact O-N 2.79Å; G332-A335 WeakPolarHBondContact O-CB 3.38Å; G332-A335 PolarHBondContact O-N 3.27Å; G332-A335 VanDerWaalsContact O-N 3.08Å; E333-A335 VanDerWaalsContact C-N 3.34Å; E333-A335 PolarHBondContact O-N 2.98Å; A335-F337 VanDerWaalsContact C-N 3.32Å; A335-L338 PolarHBondContact O-N 3.01Å; A335-K339 PolarHBondContact O-N 3.36Å; A335-M390 HydrophobicContact CB-CE 3.94Å; A335-F396 HydrophobicContact CB-CE2 4.27Å; A335-F396 HydrophobicContact CB-CZ 4.35Å; A335-L404 HydrophobicContact CB-CD2 4.39Å
336T95.9Very high95.5Very high30 Ų3020.4 Ų20.418%0.18413%0.125CC..Hα-helixtrans-63.4-38.8173.7-610000111.8Y162 G332 E333 K339 I340 S405Y162-T336 HydrophobicContact CE2-CG2 4.29Å; G332-T336 PolarHBondContact O-N 3.5Å; G332-T336 PolarHBondContact O-OG1 3.17Å; E333-T336 PolarHBondContact O-N 3.08Å; T336-K339 WeakPolarHBondContact O-CB 3.44Å; T336-K339 PolarHBondContact O-N 3.04Å; T336-I340 HydrophobicContact CG2-CD1 4.17Å; T336-I340 PolarHBondContact O-N 3.05Å; T336-S405 PolarHBondContact OG1-OG 2.91Å
337F97.1Very high95.6Very high2 Ų218.7 Ų18.71%0.00911%0.114CC..Hα-helixtrans-55.4-54.7172.3170.4-89.8000111.1W158 Y162 L282 E333 F334 A335 K339 I340 I341W158-F337 HydrophobicContact CB-CE1 4.5Å; W158-F337 HydrophobicContact CB-CE2 4.2Å; W158-F337 HydrophobicContact CB-CZ 3.57Å; W158-F337 HydrophobicContact CE3-CE1 4.04Å; W158-F337 HydrophobicContact CE3-CZ 4.19Å; W158-F337 VanDerWaalsContact O-CE2 3.29Å; W158-F337 WeakPolarHBondContact O-CE2 3.25Å; Y162-F337 VanDerWaalsContact CB-CD2 3.47Å; Y162-F337 HydrophobicContact CD1-CD2 4.03Å; Y162-F337 HydrophobicContact CD2-CB 3.92Å; Y162-F337 AromaticContact CD2-CD2 3.8Å; Y162-F337 HydrophobicContact CD2-CD2 3.8Å; Y162-F337 HydrophobicContact CD2-CG 4.33Å; Y162-F337 HydrophobicContact CE2-CB 3.92Å; Y162-F337 HydrophobicContact CE2-CD2 4.5Å; Y162-F337 HydrophobicContact CG-CB 4.41Å; Y162-F337 AromaticContact CG-CD2 3.51Å; Y162-F337 HydrophobicContact CG-CD2 3.51Å; Y162-F337 HydrophobicContact CG-CE2 4.26Å; Y162-F337 HydrophobicContact CG-CG 4.44Å; L282-F337 HydrophobicContact CD1-CE1 3.96Å; L282-F337 HydrophobicContact CD1-CZ 3.63Å; L282-F337 HydrophobicContact CD2-CZ 4.3Å; L282-F337 HydrophobicContact CG-CZ 4.17Å; E333-F337 WeakPolarHBondContact O-CB 3.39Å; E333-F337 PolarHBondContact O-N 3.43Å; F334-F337 HydrophobicContact CD2-CD1 4.06Å; F334-F337 AromaticContact CE2-CD1 3.97Å; F334-F337 HydrophobicContact CE2-CD1 3.97Å; F334-F337 HydrophobicContact CE2-CE1 4.35Å; F334-F337 WeakPolarHBondContact O-CB 3.09Å; F334-F337 PolarHBondContact O-N 2.98Å; A335-F337 VanDerWaalsContact C-N 3.32Å; F337-K339 VanDerWaalsContact C-N 3.27Å; F337-K339 PolarHBondContact O-N 3.39Å; F337-I340 PolarHBondContact O-N 3.39Å; F337-I341 HydrophobicContact CE1-CG1 4.23Å; F337-I341 HydrophobicContact CE2-CG1 4.42Å; F337-I341 HydrophobicContact CZ-CG1 4.12Å; F337-I341 WeakPolarHBondContact O-CG1 3.18Å; F337-I341 PolarHBondContact O-N 3.22Å; F337-I341 VanDerWaalsContact O-N 3.13Å
338L97.7Very high95.5Very high0 Ų018.8 Ų18.80%011%0.113CC..Hα-helixtrans-59.9-36.7178.3-67.8177.5000112.8V287 F334 A335 I341 A342 V383 I386 L387 M390V287-L338 HydrophobicContact CG2-CD2 4Å; F334-L338 HydrophobicContact CD1-CD1 4.41Å; F334-L338 HydrophobicContact CE1-CD1 3.99Å; F334-L338 HydrophobicContact CE1-CG 4.45Å; F334-L338 HydrophobicContact CE2-CD2 4.5Å; F334-L338 HydrophobicContact CZ-CD1 4.25Å; F334-L338 HydrophobicContact CZ-CD2 4.26Å; F334-L338 HydrophobicContact CZ-CG 4.32Å; F334-L338 WeakPolarHBondContact O-CG 3.5Å; F334-L338 PolarHBondContact O-N 3.38Å; A335-L338 PolarHBondContact O-N 3.01Å; L338-I341 PolarHBondContact O-N 3.41Å; L338-A342 WeakPolarHBondContact O-CB 3.32Å; L338-A342 PolarHBondContact O-N 3.27Å; L338-V383 HydrophobicContact CB-CG1 4Å; L338-V383 HydrophobicContact CD2-CG1 4.25Å; L338-V383 HydrophobicContact CD2-CG2 4.31Å; L338-I386 HydrophobicContact CD1-CB 4.24Å; L338-I386 HydrophobicContact CD1-CG2 3.69Å; L338-I386 HydrophobicContact CD2-CG2 4.46Å; L338-L387 HydrophobicContact CB-CD2 4.33Å; L338-L387 HydrophobicContact CD1-CD2 3.88Å; L338-L387 HydrophobicContact CD1-CG 4.23Å; L338-M390 HydrophobicContact CD1-SD 3.43Å; L338-M390 WeakPolarHBondContact CD1-SD 3.43Å
339K96.6Very high95.4Very high50 Ų5017 Ų1722%0.21710%0.095CC..Hα-helixtrans-61-52.1175.8-174-156.8-174.4-71.40111.9A335 T336 F337 I341 A342 D343 S406 L411A335-K339 PolarHBondContact O-N 3.36Å; T336-K339 WeakPolarHBondContact O-CB 3.44Å; T336-K339 PolarHBondContact O-N 3.04Å; F337-K339 VanDerWaalsContact C-N 3.27Å; F337-K339 PolarHBondContact O-N 3.39Å; K339-I341 VanDerWaalsContact C-N 3.27Å; K339-I341 PolarHBondContact O-N 3.49Å; K339-A342 PolarHBondContact O-N 3.27Å; K339-D343 IonicContact NZ-OD2 2.65Å; K339-D343 PolarHBondContact NZ-OD2 2.95Å; K339-D343 WeakPolarHBondContact O-CB 3.34Å; K339-D343 PolarHBondContact O-N 3.49Å; K339-S406 WeakPolarHBondContact CD-OG 3.23Å; K339-S406 VanDerWaalsContact CE-CB 3.43Å; K339-S406 WeakPolarHBondContact CE-OG 3.38Å; K339-S406 WeakPolarHBondContact CG-OG 3.19Å; K339-L411 HydrophobicContact CB-CD2 3.88Å; K339-L411 HydrophobicContact CG-CD1 4.46Å; K339-L411 HydrophobicContact CG-CD2 4.15Å
340I96.3Very high95Very high19 Ų1919.1 Ų19.110%0.09711%0.11CC..Hα-helixtrans-56.5-47.1179.4-74.1168.2000109.9Y162 T165 L166 T336 F337 A342 D343 N344Y162-I340 HydrophobicContact CD2-CD1 3.56Å; Y162-I340 HydrophobicContact CE2-CD1 3.77Å; T165-I340 HydrophobicContact CG2-CD1 4.1Å; T165-I340 HydrophobicContact CG2-CG1 4.4Å; T165-I340 HydrophobicContact CG2-CG2 4.1Å; L166-I340 HydrophobicContact CD2-CD1 4.14Å; T336-I340 HydrophobicContact CG2-CD1 4.17Å; T336-I340 PolarHBondContact O-N 3.05Å; F337-I340 PolarHBondContact O-N 3.39Å; I340-A342 PolarHBondContact O-N 2.9Å; I340-D343 PolarHBondContact O-N 3.34Å; I340-N344 WeakPolarHBondContact O-CB 3.35Å; I340-N344 VanDerWaalsContact O-CG 3.26Å; I340-N344 PolarHBondContact O-N 2.98Å; I340-N344 VanDerWaalsContact O-N 3.17Å; I340-N344 PolarHBondContact O-ND2 2.84Å
341I97.4Very high94.5Very high0 Ų018.4 Ų18.40%011%0.107CC..Hα-helixtrans-59.7-48.8178.3-62.6-49.3000110.9W158 E161 F337 L338 K339 N344 R345 V383W158-I341 HydrophobicContact CB-CD1 3.58Å; W158-I341 HydrophobicContact CB-CG1 3.96Å; W158-I341 HydrophobicContact CD2-CB 4.49Å; W158-I341 HydrophobicContact CD2-CD1 4.43Å; W158-I341 HydrophobicContact CD2-CG1 4.14Å; W158-I341 HydrophobicContact CD2-CG2 3.54Å; W158-I341 HydrophobicContact CE3-CB 4.5Å; W158-I341 HydrophobicContact CE3-CG1 4.18Å; W158-I341 HydrophobicContact CE3-CG2 3.74Å; W158-I341 HydrophobicContact CG-CD1 3.88Å; W158-I341 HydrophobicContact CG-CG1 4.09Å; W158-I341 HydrophobicContact CG-CG2 4.06Å; W158-I341 HydrophobicContact CH2-CG2 4.11Å; W158-I341 HydrophobicContact CZ2-CG2 3.97Å; W158-I341 HydrophobicContact CZ3-CG2 4.01Å; E161-I341 HydrophobicContact CB-CD1 4.23Å; E161-I341 HydrophobicContact CG-CD1 4.16Å; F337-I341 HydrophobicContact CE1-CG1 4.23Å; F337-I341 HydrophobicContact CE2-CG1 4.42Å; F337-I341 HydrophobicContact CZ-CG1 4.12Å; F337-I341 WeakPolarHBondContact O-CG1 3.18Å; F337-I341 PolarHBondContact O-N 3.22Å; F337-I341 VanDerWaalsContact O-N 3.13Å; L338-I341 PolarHBondContact O-N 3.41Å; K339-I341 VanDerWaalsContact C-N 3.27Å; K339-I341 PolarHBondContact O-N 3.49Å; I341-N344 PolarHBondContact O-N 2.89Å; I341-R345 VanDerWaalsContact CA-NH1 3.26Å; I341-R345 WeakPolarHBondContact O-CD 3.31Å; I341-R345 PolarHBondContact O-N 3.38Å; I341-R345 PolarHBondContact O-NH1 2.93Å; I341-V383 HydrophobicContact CG2-CG2 3.85Å
342A97Very high93.8Very high0 Ų021.1 Ų21.10%013%0.126CC..Hα-helixtrans-62.3-48.3-179.800000112.9L338 K339 I340 N344 R345 M346 L380 V383 L411 I415L338-A342 WeakPolarHBondContact O-CB 3.32Å; L338-A342 PolarHBondContact O-N 3.27Å; K339-A342 PolarHBondContact O-N 3.27Å; I340-A342 PolarHBondContact O-N 2.9Å; A342-N344 VanDerWaalsContact C-N 3.26Å; A342-N344 PolarHBondContact O-N 3.28Å; A342-R345 PolarHBondContact O-N 2.91Å; A342-R345 VanDerWaalsContact O-N 3.15Å; A342-M346 HydrophobicContact CB-CE 4.27Å; A342-M346 WeakPolarHBondContact O-CG 3.49Å; A342-M346 PolarHBondContact O-N 3.39Å; A342-L380 HydrophobicContact CB-CD2 4.04Å; A342-V383 HydrophobicContact CB-CG1 4.08Å; A342-L411 HydrophobicContact CB-CD1 3.94Å; A342-L411 HydrophobicContact CB-CD2 4.43Å; A342-L411 HydrophobicContact CB-CG 4.46Å; A342-I415 HydrophobicContact CB-CD1 3.78Å; A342-I415 HydrophobicContact CB-CG1 4.11Å
343D95.5Very high92.7Very high42 Ų4222.7 Ų22.723%0.22513%0.134CC..Hα-helixtrans-57.7-41.5-178.7-74.1-14.8000111.8K339 I340 M346 S347K339-D343 IonicContact NZ-OD2 2.65Å; K339-D343 PolarHBondContact NZ-OD2 2.95Å; K339-D343 WeakPolarHBondContact O-CB 3.34Å; K339-D343 PolarHBondContact O-N 3.49Å; I340-D343 PolarHBondContact O-N 3.34Å; D343-M346 PolarHBondContact O-N 3.1Å; D343-M346 WeakPolarHBondContact OD1-CE 3.11Å; D343-S347 VanDerWaalsContact O-CB 3.23Å; D343-S347 WeakPolarHBondContact O-CB 3.27Å; D343-S347 PolarHBondContact O-N 2.65Å; D343-S347 PolarHBondContact O-OG 3.07Å
344N94.9Very high91.2Very high28 Ų2826.6 Ų26.615%0.1515%0.153CC..Hα-helixtrans-64.8-42.1178.9-71.5-21.4000111.9E161 I340 I341 A342 F348 L364E161-N344 WeakPolarHBondContact OE1-CB 3.31Å; E161-N344 PolarHBondContact OE1-ND2 2.92Å; I340-N344 WeakPolarHBondContact O-CB 3.35Å; I340-N344 VanDerWaalsContact O-CG 3.26Å; I340-N344 PolarHBondContact O-N 2.98Å; I340-N344 VanDerWaalsContact O-N 3.17Å; I340-N344 PolarHBondContact O-ND2 2.84Å; I341-N344 PolarHBondContact O-N 2.89Å; A342-N344 VanDerWaalsContact C-N 3.26Å; A342-N344 PolarHBondContact O-N 3.28Å; N344-F348 WeakPolarHBondContact O-CB 3.21Å; N344-F348 PolarHBondContact O-N 3.23Å; N344-L364 HydrophobicContact CB-CD2 3.85Å; N344-L364 VanDerWaalsContact CG-CD2 3.48Å; N344-L364 VanDerWaalsContact ND2-CD2 3.32Å; N344-L364 WeakPolarHBondContact ND2-CD2 3.29Å
345R95.3Very high89.5Confident3 Ų334.2 Ų34.21%0.01119%0.194CC..Hα-helixtrans-71.7-41.7176.9-78.982.4-175.6152.18.9111.8E161 I341 A342 S347 F348 L349 L368 A376 D379 L380E161-R345 IonicContact OE1-CZ 3.43Å; E161-R345 IonicContact OE1-NH1 2.62Å; E161-R345 PolarHBondContact OE1-NH1 3.43Å; E161-R345 IonicContact OE1-NH2 3.54Å; E161-R345 IonicContact OE2-CZ 3.93Å; E161-R345 VanDerWaalsContact OE2-CZ 3.28Å; E161-R345 IonicContact OE2-NH1 3.54Å; E161-R345 PolarHBondContact OE2-NH1 2.73Å; E161-R345 IonicContact OE2-NH2 3.5Å; E161-R345 PolarHBondContact OE2-NH2 3.31Å; I341-R345 VanDerWaalsContact CA-NH1 3.26Å; I341-R345 WeakPolarHBondContact O-CD 3.31Å; I341-R345 PolarHBondContact O-N 3.38Å; I341-R345 PolarHBondContact O-NH1 2.93Å; A342-R345 PolarHBondContact O-N 2.91Å; A342-R345 VanDerWaalsContact O-N 3.15Å; R345-S347 VanDerWaalsContact C-N 3.34Å; R345-S347 PolarHBondContact O-N 3.42Å; R345-F348 PolarHBondContact O-N 2.92Å; R345-L349 WeakPolarHBondContact O-CG 3.48Å; R345-L349 PolarHBondContact O-N 3.2Å; R345-L368 HydrophobicContact CG-CD2 4.35Å; R345-A376 HydrophobicContact CB-CB 4.18Å; R345-A376 HydrophobicContact CG-CB 3.87Å; R345-D379 HydrophobicContact CG-CB 4.01Å; R345-D379 IonicContact CZ-OD2 3.91Å; R345-D379 IonicContact NE-OD2 3.15Å; R345-D379 PolarHBondContact NE-OD2 3.01Å; R345-D379 VanDerWaalsContact NE-OD2 3.13Å; R345-D379 IonicContact NH2-OD2 2.89Å; R345-L380 HydrophobicContact CB-CD1 4.1Å; R345-L380 HydrophobicContact CB-CD2 3.73Å; R345-L380 HydrophobicContact CB-CG 3.65Å; R345-L380 HydrophobicContact CG-CG 4.47Å
346M94.6Very high87.5Confident15 Ų1539.1 Ų39.17%0.07422%0.219CC..Hα-helixtrans-61.7-44.5177.1-68.8-171.5-66.700110.9A342 D343 F348 L349 S350 L380 L411 Q414 I415 T418A342-M346 HydrophobicContact CB-CE 4.27Å; A342-M346 WeakPolarHBondContact O-CG 3.49Å; A342-M346 PolarHBondContact O-N 3.39Å; D343-M346 PolarHBondContact O-N 3.1Å; D343-M346 WeakPolarHBondContact OD1-CE 3.11Å; M346-F348 PolarHBondContact O-N 2.84Å; M346-L349 PolarHBondContact O-N 2.75Å; M346-S350 PolarHBondContact O-N 3.3Å; M346-S350 PolarHBondContact O-OG 3.22Å; M346-S350 VanDerWaalsContact O-OG 3.09Å; M346-L380 HydrophobicContact CG-CD1 3.87Å; M346-L380 HydrophobicContact CG-CD2 3.89Å; M346-L411 HydrophobicContact CE-CD1 3.88Å; M346-Q414 HydrophobicContact CE-CB 4.37Å; M346-Q414 HydrophobicContact SD-CB 4.05Å; M346-I415 HydrophobicContact CE-CG1 4.41Å; M346-I415 HydrophobicContact SD-CB 4.48Å; M346-I415 HydrophobicContact SD-CG1 3.9Å; M346-T418 HydrophobicContact CB-CG2 4.12Å; M346-T418 HydrophobicContact CG-CG2 3.97Å
347S91.9Very high85.5Confident52 Ų5243.5 Ų43.536%0.36425%0.251SS..Hα-helixtrans-61.9-42.2176.4-59.30000112.1D343 R345 S351D343-S347 VanDerWaalsContact O-CB 3.23Å; D343-S347 WeakPolarHBondContact O-CB 3.27Å; D343-S347 PolarHBondContact O-N 2.65Å; D343-S347 PolarHBondContact O-OG 3.07Å; R345-S347 VanDerWaalsContact C-N 3.34Å; R345-S347 PolarHBondContact O-N 3.42Å; S347-S351 WeakPolarHBondContact O-CB 3.5Å; S347-S351 PolarHBondContact O-N 3.43Å; S347-S351 PolarHBondContact O-OG 2.99Å
348F91.6Very high83.5Confident12 Ų1245.9 Ų45.95%0.05327%0.268CS..Hα-helixtrans-61.2-49.7174.6172.8-109.1000111.9N344 R345 M346 S350 S351 C352 L368 A369 L373 A376N344-F348 WeakPolarHBondContact O-CB 3.21Å; N344-F348 PolarHBondContact O-N 3.23Å; R345-F348 PolarHBondContact O-N 2.92Å; M346-F348 PolarHBondContact O-N 2.84Å; F348-S350 PolarHBondContact O-N 3.11Å; F348-S351 PolarHBondContact O-N 2.76Å; F348-S351 PolarHBondContact O-OG 3.39Å; F348-C352 PolarHBondContact O-N 3.48Å; F348-C352 PolarHBondContact O-SG 3.41Å; F348-C352 VanDerWaalsContact O-SG 3.38Å; F348-L368 HydrophobicContact CB-CD1 3.81Å; F348-L368 HydrophobicContact CD1-CB 4.07Å; F348-L368 HydrophobicContact CD2-CB 3.82Å; F348-L368 HydrophobicContact CE1-CB 4.21Å; F348-L368 HydrophobicContact CE2-CB 3.99Å; F348-L368 HydrophobicContact CG-CB 3.87Å; F348-L368 HydrophobicContact CG-CD1 4.09Å; F348-L368 HydrophobicContact CZ-CB 4.18Å; F348-L368 WeakPolarHBondContact CZ-O 3.47Å; F348-A369 HydrophobicContact CE2-CB 4.32Å; F348-L373 HydrophobicContact CD1-CD2 4.44Å; F348-L373 HydrophobicContact CE1-CD2 3.83Å; F348-L373 HydrophobicContact CZ-CD2 4.26Å; F348-A376 HydrophobicContact CD1-CB 3.74Å; F348-A376 HydrophobicContact CE1-CB 4.07Å
349L90.3Very high81.2Confident1 Ų154.5 Ų54.51%0.00531%0.314CS..Hα-helixtrans-60.4-45179.5-69.4179000112.1R345 M346 S351 C352 S353 L373 A376 L380 T418 T422R345-L349 WeakPolarHBondContact O-CG 3.48Å; R345-L349 PolarHBondContact O-N 3.2Å; M346-L349 PolarHBondContact O-N 2.75Å; L349-S351 VanDerWaalsContact C-N 3.33Å; L349-S351 PolarHBondContact O-N 2.76Å; L349-C352 PolarHBondContact O-N 3.49Å; L349-S353 PolarHBondContact O-N 3.43Å; L349-S353 PolarHBondContact O-OG 3.13Å; L349-L373 HydrophobicContact CD2-CB 4.23Å; L349-L373 HydrophobicContact CD2-CD2 3.53Å; L349-A376 HydrophobicContact CD2-CB 3.97Å; L349-A376 HydrophobicContact CG-CB 4.18Å; L349-L380 HydrophobicContact CD1-CD1 3.57Å; L349-T418 HydrophobicContact CB-CG2 4.43Å; L349-T418 HydrophobicContact CD1-CG2 4.26Å; L349-T422 HydrophobicContact CD2-CG2 4.31Å
350S88.1Confident79.4Confident49 Ų4954.1 Ų54.134%0.34331%0.311SS..Hα-helixtrans-61.6-39.6176.9-62.20000112.3M346 F348 C352 S353 E354M346-S350 PolarHBondContact O-N 3.3Å; M346-S350 PolarHBondContact O-OG 3.22Å; M346-S350 VanDerWaalsContact O-OG 3.09Å; F348-S350 PolarHBondContact O-N 3.11Å; S350-C352 VanDerWaalsContact C-N 3.33Å; S350-C352 PolarHBondContact O-N 3.2Å; S350-S353 WeakPolarHBondContact O-CB 3.45Å; S350-S353 PolarHBondContact O-N 3.41Å; S350-S353 VanDerWaalsContact O-N 3.11Å; S350-E354 PolarHBondContact O-N 2.95Å; S350-E354 VanDerWaalsContact O-N 3.11Å
351S84.8Confident77.7Confident15 Ų1557.6 Ų57.611%0.10534%0.335CS..Hα-helixtrans-65.6-34.9179.573.30000113.4S347 F348 L349 S353 E354 N355 S358 Y360S347-S351 WeakPolarHBondContact O-CB 3.5Å; S347-S351 PolarHBondContact O-N 3.43Å; S347-S351 PolarHBondContact O-OG 2.99Å; F348-S351 PolarHBondContact O-N 2.76Å; F348-S351 PolarHBondContact O-OG 3.39Å; L349-S351 VanDerWaalsContact C-N 3.33Å; L349-S351 PolarHBondContact O-N 2.76Å; S351-S353 VanDerWaalsContact C-N 3.25Å; S351-S353 PolarHBondContact O-N 2.82Å; S351-E354 PolarHBondContact O-N 3.35Å; S351-N355 PolarHBondContact O-N 3.48Å; S351-S358 VanDerWaalsContact CB-OG 3.24Å; S351-S358 WeakPolarHBondContact CB-OG 3.4Å; S351-Y360 WeakPolarHBondContact CB-OH 3.43Å; S351-Y360 PolarHBondContact OG-OH 2.93Å
352C81.2Confident76Confident59 Ų5967.6 Ų67.640%0.39937%0.373SS..Hα-helixtrans-70.2-25.2175.3-65.20000112.3F348 L349 S350 L373F348-C352 PolarHBondContact O-N 3.48Å; F348-C352 PolarHBondContact O-SG 3.41Å; F348-C352 VanDerWaalsContact O-SG 3.38Å; L349-C352 PolarHBondContact O-N 3.49Å; S350-C352 VanDerWaalsContact C-N 3.33Å; S350-C352 PolarHBondContact O-N 3.2Å; C352-L373 HydrophobicContact CB-CD2 3.64Å
353S71.7Confident74.6Confident45 Ų4573.4 Ų73.432%0.31540%0.399SS..Hα-helixtrans-79-29.9174.7-62.30000113.3L349 S350 S351 Q425L349-S353 PolarHBondContact O-N 3.43Å; L349-S353 PolarHBondContact O-OG 3.13Å; S350-S353 WeakPolarHBondContact O-CB 3.45Å; S350-S353 PolarHBondContact O-N 3.41Å; S350-S353 VanDerWaalsContact O-N 3.11Å; S351-S353 VanDerWaalsContact C-N 3.25Å; S351-S353 PolarHBondContact O-N 2.82Å; S353-Q425 PolarHBondContact OG-OE1 2.86Å
354E64.6Low73.6Confident130 Ų13072.4 Ų72.461%0.60739%0.394SS*.Hα-helixtrans-104.20.7-170.2-67.8-175.9179.500114.8S350 S351 N356S350-E354 PolarHBondContact O-N 2.95Å; S350-E354 VanDerWaalsContact O-N 3.11Å; S351-E354 PolarHBondContact O-N 3.35Å; E354-N356 HydrophobicContact CB-CB 4.44Å; E354-N356 PolarHBondContact O-N 3.03Å
355N59.5Low72.6Confident161 Ų16172.9 Ų72.986%0.86140%0.4SS*.THydrogen-bonded Turntrans52.124.3-174.1-85.4-15000113.7S351S351-N355 PolarHBondContact O-N 3.48Å
356N55.7Low72Confident108 Ų10878.2 Ų78.258%0.57843%0.425SS*.  trans-108.7130.1-178.8-85.6-30.5000110.4E354 S358E354-N356 HydrophobicContact CB-CB 4.44Å; E354-N356 PolarHBondContact O-N 3.03Å; N356-S358 PolarHBondContact O-N 2.85Å
357S53.5Low71.8Confident122 Ų12278.4 Ų78.485%0.85343%0.427SS*.  trans-76.5111.1171.556.80000110.1
358S55.1Low71.8Confident52 Ų5276.3 Ų76.336%0.36441%0.411SS..  trans-85.8164.5-178.5-7.20000114.6S351 N356 Y360S351-S358 VanDerWaalsContact CB-OG 3.24Å; S351-S358 WeakPolarHBondContact CB-OG 3.4Å; N356-S358 PolarHBondContact O-N 2.85Å; S358-Y360 PolarHBondContact O-N 2.91Å; S358-Y360 VanDerWaalsContact O-N 3.13Å; S358-Y360 WeakPolarHBondContact OG-CE1 3.35Å; S358-Y360 PolarHBondContact OG-OH 3Å
359N49.2Very low71.8Confident181 Ų18178.6 Ų78.697%0.96843%0.432SS*.SBendtrans-79.162.6-179.2-74.9-24.1000113.9
360Y59.3Low71.9Confident43 Ų4383 Ų8317%0.16946%0.46CS..SBendtrans-118.9160.2171.721.1-117.8000112.2S351 S358 R362S351-Y360 WeakPolarHBondContact CB-OH 3.43Å; S351-Y360 PolarHBondContact OG-OH 2.93Å; S358-Y360 PolarHBondContact O-N 2.91Å; S358-Y360 VanDerWaalsContact O-N 3.13Å; S358-Y360 WeakPolarHBondContact OG-CE1 3.35Å; S358-Y360 PolarHBondContact OG-OH 3Å; Y360-R362 PolarHBondContact O-N 2.81Å
361P59.8Low72.1Confident91 Ų9180.8 Ų80.859%0.59144%0.444SS*.  trans-52.3127.2176.1-23.833000110.2H363 L364 S365P361-H363 PolarHBondContact O-N 3.29Å; P361-H363 VanDerWaalsContact O-N 3.1Å; P361-L364 PolarHBondContact O-N 3.22Å; P361-S365 PolarHBondContact O-N 3.39Å
362R62.6Low72.5Confident211 Ų21181.1 Ų81.180%0.79645%0.449SS*.Hα-helixtrans-51.7-40.3-173.7-71.5-172.7-170.1177.14112.6Y360 L364 S365 E366Y360-R362 PolarHBondContact O-N 2.81Å; R362-L364 PolarHBondContact O-N 3.38Å; R362-S365 WeakPolarHBondContact O-CB 3.05Å; R362-S365 PolarHBondContact O-N 3.22Å; R362-E366 WeakPolarHBondContact O-CG 3.36Å; R362-E366 PolarHBondContact O-N 3.03Å
363H66.6Low73.1Confident121 Ų12180.4 Ų80.456%0.5644%0.442SS*.Hα-helixtrans-63.4-39.9-178.3-174.9-91.2000113.6P361 E366 T367P361-H363 PolarHBondContact O-N 3.29Å; P361-H363 VanDerWaalsContact O-N 3.1Å; H363-E366 PolarHBondContact O-N 3.37Å; H363-T367 WeakPolarHBondContact O-CB 3.41Å; H363-T367 PolarHBondContact O-N 3.19Å; H363-T367 PolarHBondContact O-OG1 2.95Å
364L74.8Confident74.1Confident21 Ų2179.8 Ų79.811%0.1143%0.434CS..Hα-helixtrans-69.5-40.4177.8-176.461.2000111.1E161 N344 P361 R362 T367 L368E161-L364 VanDerWaalsContact CD-CD1 3.49Å; E161-L364 HydrophobicContact CG-CD1 3.85Å; E161-L364 HydrophobicContact CG-CD2 4.21Å; N344-L364 HydrophobicContact CB-CD2 3.85Å; N344-L364 VanDerWaalsContact CG-CD2 3.48Å; N344-L364 VanDerWaalsContact ND2-CD2 3.32Å; N344-L364 WeakPolarHBondContact ND2-CD2 3.29Å; P361-L364 PolarHBondContact O-N 3.22Å; R362-L364 PolarHBondContact O-N 3.38Å; L364-T367 PolarHBondContact O-N 3.18Å; L364-L368 HydrophobicContact CD1-CD1 4.36Å; L364-L368 HydrophobicContact CD1-CG 4.38Å; L364-L368 HydrophobicContact CG-CD1 4.22Å; L364-L368 PolarHBondContact O-N 3.5Å
365S73.6Confident75.5Confident39 Ų3973.7 Ų73.727%0.27341%0.405SS..Hα-helixtrans-59.1-46.3173.3-1750000111.6P361 R362 T367 A369P361-S365 PolarHBondContact O-N 3.39Å; R362-S365 WeakPolarHBondContact O-CB 3.05Å; R362-S365 PolarHBondContact O-N 3.22Å; S365-T367 PolarHBondContact O-N 3.42Å; S365-A369 WeakPolarHBondContact O-CB 3.31Å; S365-A369 PolarHBondContact O-N 2.91Å
366E84.1Confident77.2Confident115 Ų11566 Ų6654%0.53736%0.364SS..Hα-helixtrans-63.2-40.5177.2-74168.9-163.200112.1R362 H363 T370R362-E366 WeakPolarHBondContact O-CG 3.36Å; R362-E366 PolarHBondContact O-N 3.03Å; H363-E366 PolarHBondContact O-N 3.37Å; E366-T370 WeakPolarHBondContact O-CB 3.17Å; E366-T370 PolarHBondContact O-N 2.78Å; E366-T370 PolarHBondContact O-OG1 3.32Å
367T90.1Very high79Confident19 Ų1960.9 Ų60.912%0.11734%0.337CS..Hα-helixtrans-65-51.5177.9-62.90000111.5S155 H363 L364 S365 A369 T370 L371S155-T367 WeakPolarHBondContact O-CG2 3.33Å; H363-T367 WeakPolarHBondContact O-CB 3.41Å; H363-T367 PolarHBondContact O-N 3.19Å; H363-T367 PolarHBondContact O-OG1 2.95Å; L364-T367 PolarHBondContact O-N 3.18Å; S365-T367 PolarHBondContact O-N 3.42Å; T367-A369 VanDerWaalsContact C-N 3.32Å; T367-A369 PolarHBondContact O-N 3.42Å; T367-T370 WeakPolarHBondContact O-CB 3.33Å; T367-T370 PolarHBondContact O-N 3.4Å; T367-L371 HydrophobicContact CG2-CD1 4.12Å; T367-L371 WeakPolarHBondContact O-CG 3.47Å; T367-L371 PolarHBondContact O-N 3.09Å
368L91.5Very high80.9Confident7 Ų755.1 Ų55.14%0.03730%0.296CS..Hα-helixtrans-64.3-37.3178.2-70.6174.3000111.6R345 F348 L364 T370 L371 G372R345-L368 HydrophobicContact CG-CD2 4.35Å; F348-L368 HydrophobicContact CB-CD1 3.81Å; F348-L368 HydrophobicContact CD1-CB 4.07Å; F348-L368 HydrophobicContact CD2-CB 3.82Å; F348-L368 HydrophobicContact CE1-CB 4.21Å; F348-L368 HydrophobicContact CE2-CB 3.99Å; F348-L368 HydrophobicContact CG-CB 3.87Å; F348-L368 HydrophobicContact CG-CD1 4.09Å; F348-L368 HydrophobicContact CZ-CB 4.18Å; F348-L368 WeakPolarHBondContact CZ-O 3.47Å; L364-L368 HydrophobicContact CD1-CD1 4.36Å; L364-L368 HydrophobicContact CD1-CG 4.38Å; L364-L368 HydrophobicContact CG-CD1 4.22Å; L364-L368 PolarHBondContact O-N 3.5Å; L368-T370 VanDerWaalsContact C-N 3.34Å; L368-T370 PolarHBondContact O-N 2.9Å; L368-L371 PolarHBondContact O-N 3.48Å; L368-G372 PolarHBondContact O-N 3.49Å
369A90.6Very high82.9Confident60 Ų6052.6 Ų52.650%0.49628%0.279SS..Hα-helixtrans-61.9-41.517300000112F348 S365 T367 G372F348-A369 HydrophobicContact CE2-CB 4.32Å; S365-A369 WeakPolarHBondContact O-CB 3.31Å; S365-A369 PolarHBondContact O-N 2.91Å; T367-A369 VanDerWaalsContact C-N 3.32Å; T367-A369 PolarHBondContact O-N 3.42Å; A369-G372 PolarHBondContact O-N 2.88Å
370T92.6Very high85.1Confident94 Ų9444 Ų4458%0.57723%0.233SC*.Hα-helixtrans-66.9-40.4177.2-59.30000111.9V152 E366 T367 L368V152-T370 HydrophobicContact CG2-CG2 3.59Å; E366-T370 WeakPolarHBondContact O-CB 3.17Å; E366-T370 PolarHBondContact O-N 2.78Å; E366-T370 PolarHBondContact O-OG1 3.32Å; T367-T370 WeakPolarHBondContact O-CB 3.33Å; T367-T370 PolarHBondContact O-N 3.4Å; L368-T370 VanDerWaalsContact C-N 3.34Å; L368-T370 PolarHBondContact O-N 2.9Å
371L94.1Very high86.7Confident3 Ų343.6 Ų43.62%0.01623%0.232CC..Hα-helixtrans-76.4-29.1178.3-65.9178.9000112.6M1 Y38 V152 T367 L368 H375M1-L371 PolarHBondContact N-O 2.96Å; Y38-L371 HydrophobicContact CD1-CD2 4.14Å; Y38-L371 HydrophobicContact CD2-CD2 3.74Å; Y38-L371 HydrophobicContact CE1-CD2 3.89Å; Y38-L371 HydrophobicContact CE2-CD2 3.46Å; Y38-L371 VanDerWaalsContact CE2-CD2 3.46Å; Y38-L371 HydrophobicContact CG-CD2 4.06Å; V152-L371 HydrophobicContact CG2-CD2 4.48Å; T367-L371 HydrophobicContact CG2-CD1 4.12Å; T367-L371 WeakPolarHBondContact O-CG 3.47Å; T367-L371 PolarHBondContact O-N 3.09Å; L368-L371 PolarHBondContact O-N 3.48Å; L371-H375 HydrophobicContact CB-CB 3.87Å
372G92.6Very high88.4Confident21 Ų2139.4 Ų39.422%0.21621%0.205CC..  trans84.1166.9173.700000115.4L368 A369 H374 H375 A376L368-G372 PolarHBondContact O-N 3.49Å; A369-G372 PolarHBondContact O-N 2.88Å; G372-H374 VanDerWaalsContact C-N 3.32Å; G372-H374 PolarHBondContact O-N 3.41Å; G372-H375 WeakPolarHBondContact O-CB 3.49Å; G372-H375 PolarHBondContact O-N 3.05Å; G372-A376 PolarHBondContact O-N 2.92Å
373L92.5Very high90.1Very high45 Ų4529.4 Ų29.424%0.23617%0.167CC..Hα-helixtrans-55.3-40.9-175.8-63.5171000113.6F348 L349 C352 H375 A376 A377F348-L373 HydrophobicContact CD1-CD2 4.44Å; F348-L373 HydrophobicContact CE1-CD2 3.83Å; F348-L373 HydrophobicContact CZ-CD2 4.26Å; L349-L373 HydrophobicContact CD2-CB 4.23Å; L349-L373 HydrophobicContact CD2-CD2 3.53Å; C352-L373 HydrophobicContact CB-CD2 3.64Å; L373-H375 VanDerWaalsContact C-N 3.25Å; L373-H375 PolarHBondContact O-N 2.78Å; L373-A376 PolarHBondContact O-N 3.48Å; L373-A377 WeakPolarHBondContact O-CB 3.45Å; L373-A377 PolarHBondContact O-N 3.03Å
374H92.7Very high91.5Very high32 Ų3224.2 Ų24.215%0.14815%0.145CC..Hα-helixtrans-61.9-34178.3-66106.4000112.5M1 Y6 G372 F378 L428M1-H374 HydrophobicContact CB-CB 4.44Å; M1-H374 HydrophobicContact CG-CB 4.39Å; M1-H374 HydrophobicContact SD-CB 4.46Å; Y6-H374 AromaticContact CD1-CD2 3.73Å; Y6-H374 VanDerWaalsContact CD2-O 3.27Å; Y6-H374 WeakPolarHBondContact CD2-O 3.37Å; Y6-H374 HydrophobicContact CG-CB 4.11Å; G372-H374 VanDerWaalsContact C-N 3.32Å; G372-H374 PolarHBondContact O-N 3.41Å; H374-F378 PolarHBondContact O-N 3.07Å; H374-L428 PolarHBondContact NE2-O 3.02Å; H374-L428 VanDerWaalsContact NE2-O 3.07Å
375H94.8Very high92.4Very high1 Ų124.9 Ų24.91%0.00515%0.148CC..Hα-helixtrans-71.1-45.3175.5-161.6-60000111.7M1 Y38 S156 L371 G372 L373 A377 F378 D379M1-H375 HydrophobicContact CB-CB 3.88Å; M1-H375 HydrophobicContact CE-CB 4.45Å; Y38-H375 AromaticContact CE1-CD2 3.41Å; Y38-H375 VanDerWaalsContact CE1-CD2 3.41Å; Y38-H375 WeakPolarHBondContact CE1-CD2 3.39Å; Y38-H375 AromaticContact CE1-NE2 3.67Å; Y38-H375 AromaticContact CZ-CD2 3.7Å; Y38-H375 AromaticContact CZ-NE2 3.53Å; Y38-H375 PolarHBondContact OH-CD2 3.02Å; Y38-H375 PolarHBondContact OH-NE2 3.42Å; S156-H375 PolarHBondContact OG-CE1 3.44Å; L371-H375 HydrophobicContact CB-CB 3.87Å; G372-H375 WeakPolarHBondContact O-CB 3.49Å; G372-H375 PolarHBondContact O-N 3.05Å; L373-H375 VanDerWaalsContact C-N 3.25Å; L373-H375 PolarHBondContact O-N 2.78Å; H375-A377 VanDerWaalsContact C-N 3.26Å; H375-A377 PolarHBondContact O-N 2.85Å; H375-F378 WeakPolarHBondContact O-CB 3.43Å; H375-F378 PolarHBondContact O-N 3.38Å; H375-F378 VanDerWaalsContact O-N 3.16Å; H375-D379 IonicContact CE1-OD1 3.41Å; H375-D379 PolarHBondContact CE1-OD1 3.38Å; H375-D379 IonicContact CE1-OD2 3.57Å; H375-D379 IonicContact ND1-OD1 3.53Å; H375-D379 PolarHBondContact ND1-OD1 2.93Å; H375-D379 IonicContact ND1-OD2 2.71Å; H375-D379 PolarHBondContact ND1-OD2 2.86Å; H375-D379 PolarHBondContact O-N 3.43Å
376A94.8Very high93.5Very high0 Ų023.1 Ų23.10%014%0.135CC..Hα-helixtrans-60.4-39.7177.300000111.4R345 F348 L349 G372 L373 D379 L380R345-A376 HydrophobicContact CB-CB 4.18Å; R345-A376 HydrophobicContact CG-CB 3.87Å; F348-A376 HydrophobicContact CD1-CB 3.74Å; F348-A376 HydrophobicContact CE1-CB 4.07Å; L349-A376 HydrophobicContact CD2-CB 3.97Å; L349-A376 HydrophobicContact CG-CB 4.18Å; G372-A376 PolarHBondContact O-N 2.92Å; L373-A376 PolarHBondContact O-N 3.48Å; A376-D379 PolarHBondContact O-N 3.15Å; A376-L380 WeakPolarHBondContact O-CG 3.38Å; A376-L380 PolarHBondContact O-N 3Å
377A93.4Very high94.1Very high0 Ų017.7 Ų17.70%011%0.11CC..Hα-helixtrans-64.9-40174.300000113Y6 L373 H375 Q381 M419 L428Y6-A377 HydrophobicContact CE2-CB 3.84Å; L373-A377 WeakPolarHBondContact O-CB 3.45Å; L373-A377 PolarHBondContact O-N 3.03Å; H375-A377 VanDerWaalsContact C-N 3.26Å; H375-A377 PolarHBondContact O-N 2.85Å; A377-Q381 WeakPolarHBondContact O-CG 3.29Å; A377-Q381 PolarHBondContact O-N 3.23Å; A377-M419 HydrophobicContact CB-CE 3.97Å; A377-M419 HydrophobicContact CB-SD 4.12Å; A377-L428 HydrophobicContact CB-CD1 4.3Å; A377-L428 HydrophobicContact CB-CD2 3.83Å
378F94.5Very high94.4Very high1 Ų120.2 Ų20.20%0.00412%0.12CC..Hα-helixtrans-60.9-50.3172169.8-101.3000111M1 Y6 C9 F42 H374 H375 L380 Q381 R382M1-F378 HydrophobicContact CE-CB 4.12Å; M1-F378 HydrophobicContact CE-CD1 4.07Å; M1-F378 HydrophobicContact CE-CG 4.09Å; M1-F378 HydrophobicContact SD-CB 4.14Å; Y6-F378 HydrophobicContact CD2-CB 4.1Å; Y6-F378 HydrophobicContact CE2-CB 4.38Å; C9-F378 HydrophobicContact CB-CD2 4.19Å; C9-F378 HydrophobicContact CB-CE2 3.96Å; C9-F378 WeakPolarHBondContact SG-CD2 3.22Å; F42-F378 HydrophobicContact CE2-CD1 4.3Å; F42-F378 AromaticContact CE2-CE1 3.92Å; F42-F378 HydrophobicContact CE2-CE1 3.92Å; F42-F378 HydrophobicContact CE2-CZ 4.43Å; F42-F378 HydrophobicContact CZ-CD1 4.07Å; F42-F378 AromaticContact CZ-CE1 3.64Å; F42-F378 HydrophobicContact CZ-CE1 3.64Å; F42-F378 HydrophobicContact CZ-CE2 4.23Å; F42-F378 AromaticContact CZ-CZ 3.73Å; F42-F378 HydrophobicContact CZ-CZ 3.73Å; H374-F378 PolarHBondContact O-N 3.07Å; H375-F378 WeakPolarHBondContact O-CB 3.43Å; H375-F378 PolarHBondContact O-N 3.38Å; H375-F378 VanDerWaalsContact O-N 3.16Å; F378-L380 VanDerWaalsContact C-N 3.33Å; F378-L380 PolarHBondContact O-N 2.9Å; F378-Q381 WeakPolarHBondContact O-CB 3.32Å; F378-Q381 PolarHBondContact O-N 2.82Å; F378-Q381 VanDerWaalsContact O-N 3.13Å; F378-R382 HydrophobicContact CD1-CG 4.35Å; F378-R382 HydrophobicContact CD2-CG 4.25Å; F378-R382 HydrophobicContact CE1-CG 3.92Å; F378-R382 HydrophobicContact CE2-CG 3.81Å; F378-R382 HydrophobicContact CZ-CG 3.63Å; F378-R382 WeakPolarHBondContact O-CG 3.32Å; F378-R382 PolarHBondContact O-N 3.15Å
379D96Very high94.6Very high0 Ų022 Ų220%013%0.133CC..Hα-helixtrans-55.8-47.3179.7-75.5-4.6000111.5W158 R345 H375 A376 Q381 R382 V383W158-D379 HydrophobicContact CH2-CB 4.42Å; W158-D379 HydrophobicContact CZ2-CB 3.54Å; W158-D379 VanDerWaalsContact CZ2-CG 3.42Å; W158-D379 WeakPolarHBondContact CZ2-OD1 3.35Å; W158-D379 PolarHBondContact NE1-OD2 3.31Å; R345-D379 HydrophobicContact CG-CB 4.01Å; R345-D379 IonicContact CZ-OD2 3.91Å; R345-D379 IonicContact NE-OD2 3.15Å; R345-D379 PolarHBondContact NE-OD2 3.01Å; R345-D379 VanDerWaalsContact NE-OD2 3.13Å; R345-D379 IonicContact NH2-OD2 2.89Å; H375-D379 IonicContact CE1-OD1 3.41Å; H375-D379 PolarHBondContact CE1-OD1 3.38Å; H375-D379 IonicContact CE1-OD2 3.57Å; H375-D379 IonicContact ND1-OD1 3.53Å; H375-D379 PolarHBondContact ND1-OD1 2.93Å; H375-D379 IonicContact ND1-OD2 2.71Å; H375-D379 PolarHBondContact ND1-OD2 2.86Å; H375-D379 PolarHBondContact O-N 3.43Å; A376-D379 PolarHBondContact O-N 3.15Å; D379-Q381 VanDerWaalsContact C-N 3.35Å; D379-Q381 PolarHBondContact O-N 3.28Å; D379-R382 PolarHBondContact O-N 3.02Å; D379-R382 VanDerWaalsContact O-N 3.13Å; D379-V383 WeakPolarHBondContact O-CG2 3.44Å; D379-V383 PolarHBondContact O-N 3.14Å
380L95.8Very high94.8Very high0 Ų019.1 Ų19.10%011%0.109CC..Hα-helixtrans-61.3-38.6177.3-75.9-177000113.5A342 R345 M346 L349 A376 F378 R382 V383 A384 I415 T418 M419A342-L380 HydrophobicContact CB-CD2 4.04Å; R345-L380 HydrophobicContact CB-CD1 4.1Å; R345-L380 HydrophobicContact CB-CD2 3.73Å; R345-L380 HydrophobicContact CB-CG 3.65Å; R345-L380 HydrophobicContact CG-CG 4.47Å; M346-L380 HydrophobicContact CG-CD1 3.87Å; M346-L380 HydrophobicContact CG-CD2 3.89Å; L349-L380 HydrophobicContact CD1-CD1 3.57Å; A376-L380 WeakPolarHBondContact O-CG 3.38Å; A376-L380 PolarHBondContact O-N 3Å; F378-L380 VanDerWaalsContact C-N 3.33Å; F378-L380 PolarHBondContact O-N 2.9Å; L380-R382 VanDerWaalsContact C-N 3.31Å; L380-V383 PolarHBondContact O-N 3.1Å; L380-A384 WeakPolarHBondContact O-CB 3.34Å; L380-A384 PolarHBondContact O-N 3.49Å; L380-I415 HydrophobicContact CB-CG2 3.98Å; L380-I415 HydrophobicContact CD2-CG1 4.23Å; L380-I415 HydrophobicContact CD2-CG2 4.31Å; L380-T418 HydrophobicContact CD1-CG2 4.47Å; L380-M419 HydrophobicContact CB-CG 4.41Å; L380-M419 HydrophobicContact CB-SD 3.97Å; L380-M419 HydrophobicContact CD1-CG 4.47Å; L380-M419 HydrophobicContact CD1-SD 4.04Å
381Q94Very high94.9Very high34 Ų3416.3 Ų16.316%0.1599%0.09CC..Hα-helixtrans-64.1-39.8174.8-74.11691.800111.6Y6 C10 A377 F378 D379 A384 H385 M419Y6-Q381 PolarHBondContact OH-NE2 3.03Å; C10-Q381 PolarHBondContact O-OE1 2.83Å; C10-Q381 VanDerWaalsContact O-OE1 3.07Å; A377-Q381 WeakPolarHBondContact O-CG 3.29Å; A377-Q381 PolarHBondContact O-N 3.23Å; F378-Q381 WeakPolarHBondContact O-CB 3.32Å; F378-Q381 PolarHBondContact O-N 2.82Å; F378-Q381 VanDerWaalsContact O-N 3.13Å; D379-Q381 VanDerWaalsContact C-N 3.35Å; D379-Q381 PolarHBondContact O-N 3.28Å; Q381-A384 PolarHBondContact O-N 2.89Å; Q381-H385 WeakPolarHBondContact O-CB 3.45Å; Q381-H385 PolarHBondContact O-N 3.19Å; Q381-M419 HydrophobicContact CG-CE 3.85Å
382R95.9Very high95Very high4 Ų420.7 Ų20.72%0.01512%0.12CC..Hα-helixtrans-67.1-42.9177.1-61.9-57-57.7146.57.2111.1L12 V13 W158 G284 V287 D288 F378 D379 L380 H385 I386L12-R382 PolarHBondContact O-NH1 2.68Å; V13-R382 PolarHBondContact O-NH1 3.23Å; W158-R382 HydrophobicContact CH2-CB 4.26Å; G284-R382 VanDerWaalsContact O-CG 3.28Å; G284-R382 WeakPolarHBondContact O-CG 3.37Å; G284-R382 PolarHBondContact O-NE 3.12Å; V287-R382 HydrophobicContact CG1-CB 4.41Å; D288-R382 IonicContact OD1-NH2 2.93Å; F378-R382 HydrophobicContact CD1-CG 4.35Å; F378-R382 HydrophobicContact CD2-CG 4.25Å; F378-R382 HydrophobicContact CE1-CG 3.92Å; F378-R382 HydrophobicContact CE2-CG 3.81Å; F378-R382 HydrophobicContact CZ-CG 3.63Å; F378-R382 WeakPolarHBondContact O-CG 3.32Å; F378-R382 PolarHBondContact O-N 3.15Å; D379-R382 PolarHBondContact O-N 3.02Å; D379-R382 VanDerWaalsContact O-N 3.13Å; L380-R382 VanDerWaalsContact C-N 3.31Å; R382-H385 PolarHBondContact O-N 3.42Å; R382-I386 WeakPolarHBondContact O-CG1 3.29Å; R382-I386 PolarHBondContact O-N 3.11Å; R382-I386 VanDerWaalsContact O-N 3.08Å
383V96.9Very high95.2Very high0 Ų020.7 Ų20.70%012%0.115CC..Hα-helixtrans-61-48.4173.7175.80000111.3W158 L338 I341 A342 D379 L380 H385 I386 L387 I415W158-V383 HydrophobicContact CH2-CG2 3.69Å; W158-V383 HydrophobicContact CZ3-CG2 3.86Å; L338-V383 HydrophobicContact CB-CG1 4Å; L338-V383 HydrophobicContact CD2-CG1 4.25Å; L338-V383 HydrophobicContact CD2-CG2 4.31Å; I341-V383 HydrophobicContact CG2-CG2 3.85Å; A342-V383 HydrophobicContact CB-CG1 4.08Å; D379-V383 WeakPolarHBondContact O-CG2 3.44Å; D379-V383 PolarHBondContact O-N 3.14Å; L380-V383 PolarHBondContact O-N 3.1Å; V383-H385 VanDerWaalsContact C-N 3.29Å; V383-H385 PolarHBondContact O-N 3.35Å; V383-I386 PolarHBondContact O-N 2.99Å; V383-I386 VanDerWaalsContact O-N 3.15Å; V383-L387 HydrophobicContact CG1-CD1 3.85Å; V383-L387 HydrophobicContact CG1-CG 4.17Å; V383-L387 WeakPolarHBondContact O-CG 3.32Å; V383-L387 PolarHBondContact O-N 2.78Å; V383-I415 HydrophobicContact CB-CD1 4.41Å; V383-I415 HydrophobicContact CG1-CD1 3.85Å
384A95.9Very high95.3Very high12 Ų1223.5 Ų23.510%0.09913%0.127CC..Hα-helixtrans-56.1-43.6178.100000112.2L380 Q381 L387 E388 L412 I415L380-A384 WeakPolarHBondContact O-CB 3.34Å; L380-A384 PolarHBondContact O-N 3.49Å; Q381-A384 PolarHBondContact O-N 2.89Å; A384-L387 PolarHBondContact O-N 2.88Å; A384-E388 WeakPolarHBondContact O-CG 3.42Å; A384-E388 PolarHBondContact O-N 3.4Å; A384-L412 HydrophobicContact CB-CD1 3.67Å; A384-L412 WeakPolarHBondContact O-CD1 3.27Å; A384-I415 HydrophobicContact CB-CG2 3.98Å
385H95.1Very high95.4Very high36 Ų3623.2 Ų23.217%0.16713%0.127CC..Hα-helixtrans-62.5-44.9176.9177.353.1000112.6V13 Q381 R382 V383 E388 C389V13-H385 WeakPolarHBondContact CG1-CE1 3.42Å; V13-H385 WeakPolarHBondContact CG1-ND1 3.46Å; V13-H385 PolarHBondContact O-CD2 3.27Å; V13-H385 PolarHBondContact O-NE2 2.92Å; Q381-H385 WeakPolarHBondContact O-CB 3.45Å; Q381-H385 PolarHBondContact O-N 3.19Å; R382-H385 PolarHBondContact O-N 3.42Å; V383-H385 VanDerWaalsContact C-N 3.29Å; V383-H385 PolarHBondContact O-N 3.35Å; H385-E388 WeakPolarHBondContact O-CB 3.47Å; H385-E388 PolarHBondContact O-N 3.44Å; H385-C389 VanDerWaalsContact CE1-SG 3.5Å; H385-C389 PolarHBondContact O-N 2.95Å; H385-C389 PolarHBondContact O-SG 3.13Å
386I96.3Very high95.4Very high2 Ų223.2 Ų23.21%0.0113%0.127CC..Hα-helixtrans-66.6-38.7178.3-61.3-55.7000111.2V287 D288 W291 F334 L338 R382 V383 E388 C389 M390V287-I386 HydrophobicContact CG1-CD1 4.33Å; V287-I386 HydrophobicContact CG1-CG1 3.74Å; V287-I386 HydrophobicContact CG2-CG1 4.19Å; D288-I386 HydrophobicContact CB-CD1 3.95Å; W291-I386 HydrophobicContact CB-CG2 4.31Å; W291-I386 HydrophobicContact CG-CG2 4.3Å; F334-I386 HydrophobicContact CE1-CG2 3.76Å; F334-I386 HydrophobicContact CZ-CG2 3.97Å; L338-I386 HydrophobicContact CD1-CB 4.24Å; L338-I386 HydrophobicContact CD1-CG2 3.69Å; L338-I386 HydrophobicContact CD2-CG2 4.46Å; R382-I386 WeakPolarHBondContact O-CG1 3.29Å; R382-I386 PolarHBondContact O-N 3.11Å; R382-I386 VanDerWaalsContact O-N 3.08Å; V383-I386 PolarHBondContact O-N 2.99Å; V383-I386 VanDerWaalsContact O-N 3.15Å; I386-E388 VanDerWaalsContact C-N 3.32Å; I386-E388 PolarHBondContact O-N 3.42Å; I386-C389 WeakPolarHBondContact O-CB 3.46Å; I386-C389 PolarHBondContact O-N 3.43Å; I386-C389 VanDerWaalsContact O-N 3.15Å; I386-M390 HydrophobicContact CG2-CG 4.23Å; I386-M390 HydrophobicContact CG2-SD 4.11Å; I386-M390 WeakPolarHBondContact O-CG 3.24Å; I386-M390 PolarHBondContact O-N 2.84Å
387L96.1Very high95.4Very high1 Ų127.9 Ų27.91%0.00515%0.147CC..Hα-helixtrans-59.5-42.3173.5-70.4170.9000111.6L338 V383 A384 M390 L391 P408 L411 L412 I415L338-L387 HydrophobicContact CB-CD2 4.33Å; L338-L387 HydrophobicContact CD1-CD2 3.88Å; L338-L387 HydrophobicContact CD1-CG 4.23Å; V383-L387 HydrophobicContact CG1-CD1 3.85Å; V383-L387 HydrophobicContact CG1-CG 4.17Å; V383-L387 WeakPolarHBondContact O-CG 3.32Å; V383-L387 PolarHBondContact O-N 2.78Å; A384-L387 PolarHBondContact O-N 2.88Å; L387-M390 PolarHBondContact O-N 3.33Å; L387-L391 WeakPolarHBondContact O-CB 3.27Å; L387-L391 VanDerWaalsContact O-CG 3.23Å; L387-L391 WeakPolarHBondContact O-CG 3.29Å; L387-L391 PolarHBondContact O-N 3Å; L387-P408 HydrophobicContact CD2-CB 4.14Å; L387-L411 HydrophobicContact CD1-CB 4.44Å; L387-L411 HydrophobicContact CD1-CD2 3.75Å; L387-L411 HydrophobicContact CD1-CG 3.94Å; L387-L411 HydrophobicContact CD2-CD2 4.32Å; L387-L412 HydrophobicContact CB-CD1 4.46Å; L387-L412 HydrophobicContact CD1-CB 4.41Å; L387-I415 HydrophobicContact CD1-CD1 3.77Å
388E95.9Very high95.2Very high72 Ų7233.4 Ų33.434%0.33617%0.168SC..Hα-helixtrans-60-45.4173.3-71.3169.1175.100111.7A384 H385 I386 M390 L391 C392 L412 R416A384-E388 WeakPolarHBondContact O-CG 3.42Å; A384-E388 PolarHBondContact O-N 3.4Å; H385-E388 WeakPolarHBondContact O-CB 3.47Å; H385-E388 PolarHBondContact O-N 3.44Å; I386-E388 VanDerWaalsContact C-N 3.32Å; I386-E388 PolarHBondContact O-N 3.42Å; E388-M390 PolarHBondContact O-N 3.06Å; E388-L391 PolarHBondContact O-N 3.01Å; E388-C392 PolarHBondContact O-N 2.86Å; E388-C392 VanDerWaalsContact O-N 3.08Å; E388-C392 PolarHBondContact O-SG 3.33Å; E388-L412 HydrophobicContact CG-CD1 4.11Å; E388-L412 HydrophobicContact CG-CD2 3.7Å; E388-R416 IonicContact OE1-CZ 2.67Å; E388-R416 IonicContact OE1-NE 2.74Å; E388-R416 IonicContact OE1-NH2 3.91Å; E388-R416 PolarHBondContact OE1-NH2 2.97Å
389C95.7Very high95Very high44 Ų4434.3 Ų34.330%0.29717%0.173SC..Hα-helixtrans-61.9-41.9175.9-69.90000112.6H385 I386 C392 N393H385-C389 VanDerWaalsContact CE1-SG 3.5Å; H385-C389 PolarHBondContact O-N 2.95Å; H385-C389 PolarHBondContact O-SG 3.13Å; I386-C389 WeakPolarHBondContact O-CB 3.46Å; I386-C389 PolarHBondContact O-N 3.43Å; I386-C389 VanDerWaalsContact O-N 3.15Å; C389-C392 PolarHBondContact O-N 3.38Å; C389-N393 PolarHBondContact O-N 2.87Å
390M95.1Very high94.4Very high0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-64.2-44.7176.8-7317869.500111.4W291 F334 A335 L338 I386 L387 E388 C392 N393 F396W291-M390 HydrophobicContact CD2-CG 4.09Å; W291-M390 HydrophobicContact CE3-CG 4.2Å; W291-M390 HydrophobicContact CH2-CG 3.89Å; W291-M390 HydrophobicContact CZ2-CB 4.41Å; W291-M390 HydrophobicContact CZ2-CG 3.76Å; W291-M390 HydrophobicContact CZ3-CE 4.46Å; W291-M390 HydrophobicContact CZ3-CG 4.1Å; F334-M390 HydrophobicContact CD1-CE 3.83Å; F334-M390 HydrophobicContact CD1-SD 3.58Å; F334-M390 VanDerWaalsContact CD1-SD 3.58Å; F334-M390 HydrophobicContact CE1-CE 4.46Å; F334-M390 HydrophobicContact CE1-CG 4.46Å; F334-M390 HydrophobicContact CE1-SD 3.62Å; A335-M390 HydrophobicContact CB-CE 3.94Å; L338-M390 HydrophobicContact CD1-SD 3.43Å; L338-M390 WeakPolarHBondContact CD1-SD 3.43Å; I386-M390 HydrophobicContact CG2-CG 4.23Å; I386-M390 HydrophobicContact CG2-SD 4.11Å; I386-M390 WeakPolarHBondContact O-CG 3.24Å; I386-M390 PolarHBondContact O-N 2.84Å; L387-M390 PolarHBondContact O-N 3.33Å; E388-M390 PolarHBondContact O-N 3.06Å; M390-C392 PolarHBondContact O-N 3.31Å; M390-N393 WeakPolarHBondContact O-CB 3.39Å; M390-N393 PolarHBondContact O-N 2.95Å; M390-F396 HydrophobicContact CB-CD1 4.39Å; M390-F396 HydrophobicContact CB-CG 4.41Å; M390-F396 HydrophobicContact CE-CD2 3.69Å; M390-F396 HydrophobicContact CE-CE2 3.37Å; M390-F396 HydrophobicContact CE-CZ 3.94Å; M390-F396 WeakPolarHBondContact O-CB 3.36Å; M390-F396 WeakPolarHBondContact O-CD1 3.4Å
391L95.2Very high93.6Very high34 Ų3440.9 Ų40.918%0.17821%0.206CC..Hα-helixtrans-63.6-25.5176.7-73.3170.8000113L387 E388 F396 K397 P408 E409 L412L387-L391 WeakPolarHBondContact O-CB 3.27Å; L387-L391 VanDerWaalsContact O-CG 3.23Å; L387-L391 WeakPolarHBondContact O-CG 3.29Å; L387-L391 PolarHBondContact O-N 3Å; E388-L391 PolarHBondContact O-N 3.01Å; L391-F396 HydrophobicContact CD2-CE1 4.48Å; L391-K397 WeakPolarHBondContact O-CE 3.36Å; L391-P408 HydrophobicContact CD2-CB 4.04Å; L391-P408 HydrophobicContact CG-CB 4.36Å; L391-E409 HydrophobicContact CD1-CG 4Å; L391-E409 VanDerWaalsContact CD2-CD 3.41Å; L391-E409 HydrophobicContact CD2-CG 3.89Å; L391-E409 WeakPolarHBondContact CD2-OE1 3.33Å; L391-L412 HydrophobicContact CD1-CD2 4.03Å
392C95.8Very high92.9Very high95 Ų9543.8 Ų43.864%0.64223%0.23SC*.Hα-helixtrans-83.8-14.2172.4-71.30000113.9E388 C389 M390E388-C392 PolarHBondContact O-N 2.86Å; E388-C392 VanDerWaalsContact O-N 3.08Å; E388-C392 PolarHBondContact O-SG 3.33Å; C389-C392 PolarHBondContact O-N 3.38Å; M390-C392 PolarHBondContact O-N 3.31Å
393N96.6Very high92Very high22 Ų2248.7 Ų48.712%0.11826%0.26CS..  trans-79.7127.9-176-179.6-78.6000111.6W291 Q295 C389 M390 D395 F396 K397W291-N393 HydrophobicContact CZ2-CB 3.93Å; Q295-N393 PolarHBondContact OE1-ND2 2.86Å; C389-N393 PolarHBondContact O-N 2.87Å; M390-N393 WeakPolarHBondContact O-CB 3.39Å; M390-N393 PolarHBondContact O-N 2.95Å; N393-D395 PolarHBondContact O-N 2.75Å; N393-D395 WeakPolarHBondContact OD1-CA 3.47Å; N393-D395 WeakPolarHBondContact OD1-CB 3.45Å; N393-D395 PolarHBondContact OD1-N 3.15Å; N393-F396 HydrophobicContact CB-CB 4.09Å; N393-F396 PolarHBondContact O-N 3.15Å; N393-F396 PolarHBondContact OD1-N 3.39Å; N393-K397 WeakPolarHBondContact O-CG 3.41Å; N393-K397 PolarHBondContact O-N 3.39Å; N393-K397 VanDerWaalsContact O-N 3.14Å
394E95.6Very high91.3Very high103 Ų10349.6 Ų49.648%0.48127%0.265SS..THydrogen-bonded Turntrans-68.3-33-175.4-67.7-59.2126.500113.8K397 R398E394-K397 IonicContact OE1-NZ 2.71Å; E394-K397 PolarHBondContact OE1-NZ 2.98Å; E394-R398 WeakPolarHBondContact O-CG 3.37Å; E394-R398 PolarHBondContact O-N 2.98Å
395D95Very high90.3Very high27 Ų2752.4 Ų52.414%0.14428%0.284CS..THydrogen-bonded Turntrans-72.4-34176.5-67.2-59.6000111.8L298 Q302 Y331 N393 R398L298-D395 HydrophobicContact CD2-CB 3.65Å; Q302-D395 PolarHBondContact NE2-OD1 3.27Å; Y331-D395 HydrophobicContact CE2-CB 3.98Å; N393-D395 PolarHBondContact O-N 2.75Å; N393-D395 WeakPolarHBondContact OD1-CA 3.47Å; N393-D395 WeakPolarHBondContact OD1-CB 3.45Å; N393-D395 PolarHBondContact OD1-N 3.15Å; D395-R398 PolarHBondContact O-N 2.99Å; D395-R398 IonicContact OD1-CZ 3.96Å; D395-R398 IonicContact OD1-NH1 3.25Å; D395-R398 PolarHBondContact OD1-NH1 2.97Å
396F94.8Very high89.5Confident0 Ų052.1 Ų52.10%029%0.286CS..G310 helixtrans-66.1-42.2173.9-173.5-99.1000112.2Y331 A335 M390 L391 N393 R398 L399 H401 L404 P408Y331-F396 HydrophobicContact CD2-CB 4.14Å; Y331-F396 HydrophobicContact CD2-CD2 4.11Å; Y331-F396 HydrophobicContact CE2-CB 4.47Å; A335-F396 HydrophobicContact CB-CE2 4.27Å; A335-F396 HydrophobicContact CB-CZ 4.35Å; M390-F396 HydrophobicContact CB-CD1 4.39Å; M390-F396 HydrophobicContact CB-CG 4.41Å; M390-F396 HydrophobicContact CE-CD2 3.69Å; M390-F396 HydrophobicContact CE-CE2 3.37Å; M390-F396 HydrophobicContact CE-CZ 3.94Å; M390-F396 WeakPolarHBondContact O-CB 3.36Å; M390-F396 WeakPolarHBondContact O-CD1 3.4Å; L391-F396 HydrophobicContact CD2-CE1 4.48Å; N393-F396 HydrophobicContact CB-CB 4.09Å; N393-F396 PolarHBondContact O-N 3.15Å; N393-F396 PolarHBondContact OD1-N 3.39Å; F396-R398 PolarHBondContact O-N 3.17Å; F396-R398 VanDerWaalsContact O-N 3.15Å; F396-L399 HydrophobicContact CD2-CD1 3.64Å; F396-L399 HydrophobicContact CE2-CD1 3.84Å; F396-L399 HydrophobicContact CG-CD1 4.43Å; F396-L399 WeakPolarHBondContact O-CB 3.5Å; F396-L399 WeakPolarHBondContact O-CG 3.41Å; F396-L399 PolarHBondContact O-N 3.46Å; F396-H401 AromaticContact CE1-CE1 3.73Å; F396-L404 HydrophobicContact CZ-CD1 4.05Å; F396-P408 HydrophobicContact CE1-CG 3.96Å; F396-P408 HydrophobicContact CZ-CG 3.76Å
397K93.1Very high89.2Confident98 Ų9856 Ų5643%0.42630%0.304SS..G310 helixtrans-62.5-18.7176.3-68.6173.2-168168.20114L391 N393 E394 L399L391-K397 WeakPolarHBondContact O-CE 3.36Å; N393-K397 WeakPolarHBondContact O-CG 3.41Å; N393-K397 PolarHBondContact O-N 3.39Å; N393-K397 VanDerWaalsContact O-N 3.14Å; E394-K397 IonicContact OE1-NZ 2.71Å; E394-K397 PolarHBondContact OE1-NZ 2.98Å; K397-L399 VanDerWaalsContact C-N 3.34Å
398R90.9Very high88.9Confident117 Ų11756.1 Ų56.144%0.44231%0.305SS..G310 helixtrans-83.9-11.1177.4-70170.2-172.6136.46.1112.8E394 D395 F396E394-R398 WeakPolarHBondContact O-CG 3.37Å; E394-R398 PolarHBondContact O-N 2.98Å; D395-R398 PolarHBondContact O-N 2.99Å; D395-R398 IonicContact OD1-CZ 3.96Å; D395-R398 IonicContact OD1-NH1 3.25Å; D395-R398 PolarHBondContact OD1-NH1 2.97Å; F396-R398 PolarHBondContact O-N 3.17Å; F396-R398 VanDerWaalsContact O-N 3.15Å
399L88.3Confident88.8Confident20 Ų2057.2 Ų57.211%0.10531%0.31CS..SBendtrans-69148.1176.8-60.8178.9000110.5Q320 Y331 F396 K397 H401Q320-L399 HydrophobicContact CG-CD2 3.7Å; Y331-L399 HydrophobicContact CD2-CD1 4.43Å; F396-L399 HydrophobicContact CD2-CD1 3.64Å; F396-L399 HydrophobicContact CE2-CD1 3.84Å; F396-L399 HydrophobicContact CG-CD1 4.43Å; F396-L399 WeakPolarHBondContact O-CB 3.5Å; F396-L399 WeakPolarHBondContact O-CG 3.41Å; F396-L399 PolarHBondContact O-N 3.46Å; K397-L399 VanDerWaalsContact C-N 3.34Å; L399-H401 PolarHBondContact O-CD2 3.25Å; L399-H401 PolarHBondContact O-N 3.3Å
400D83.5Confident88.7Confident89 Ų8957.9 Ų57.948%0.47632%0.316SS..  trans-71.995.4168.3-176.9-2.2000109.6S402 T403D400-S402 PolarHBondContact O-N 3.32Å; D400-S402 VanDerWaalsContact OD1-CB 3.24Å; D400-S402 WeakPolarHBondContact OD1-CB 3.33Å; D400-S402 PolarHBondContact OD1-N 3.18Å; D400-S402 PolarHBondContact OD1-OG 3.43Å; D400-S402 PolarHBondContact OD2-OG 3.08Å; D400-S402 VanDerWaalsContact OD2-OG 3.1Å; D400-T403 HydrophobicContact CB-CG2 4.13Å; D400-T403 WeakPolarHBondContact O-CB 3.37Å; D400-T403 PolarHBondContact O-N 3.49Å; D400-T403 PolarHBondContact O-OG1 2.67Å
401H80.8Confident88.7Confident49 Ų4958.1 Ų58.123%0.22732%0.317CS..G310 helixtrans-60.7-13.9179.8-62.3-66.2000113.8F396 L399 T403 L404 Q407F396-H401 AromaticContact CE1-CE1 3.73Å; L399-H401 PolarHBondContact O-CD2 3.25Å; L399-H401 PolarHBondContact O-N 3.3Å; H401-T403 PolarHBondContact O-N 3.39Å; H401-L404 HydrophobicContact CB-CD1 4.31Å; H401-L404 PolarHBondContact O-N 3.47Å; H401-Q407 PolarHBondContact O-NE2 3.4Å
402S77.6Confident88.7Confident94 Ų9457 Ų5766%0.65731%0.311SS*.G310 helixtrans-70.1-20.9173.676.10000113D400D400-S402 PolarHBondContact O-N 3.32Å; D400-S402 VanDerWaalsContact OD1-CB 3.24Å; D400-S402 WeakPolarHBondContact OD1-CB 3.33Å; D400-S402 PolarHBondContact OD1-N 3.18Å; D400-S402 PolarHBondContact OD1-OG 3.43Å; D400-S402 PolarHBondContact OD2-OG 3.08Å; D400-S402 VanDerWaalsContact OD2-OG 3.1Å
403T77.2Confident88.7Confident107 Ų10757.8 Ų57.866%0.65631%0.305SS*.G310 helixtrans-85.2-11.417966.30000113.3D400 H401D400-T403 HydrophobicContact CB-CG2 4.13Å; D400-T403 WeakPolarHBondContact O-CB 3.37Å; D400-T403 PolarHBondContact O-N 3.49Å; D400-T403 PolarHBondContact O-OG1 2.67Å; H401-T403 PolarHBondContact O-N 3.39Å
404L82.4Confident88.7Confident19 Ų1960.6 Ų60.610%0.09932%0.318CS..SBendtrans-76.2140.4-179.8-62.4176.3000111.2A335 F396 H401 S406 P408A335-L404 HydrophobicContact CB-CD2 4.39Å; F396-L404 HydrophobicContact CZ-CD1 4.05Å; H401-L404 HydrophobicContact CB-CD1 4.31Å; H401-L404 PolarHBondContact O-N 3.47Å; L404-S406 PolarHBondContact O-N 3.35Å; L404-S406 VanDerWaalsContact O-N 3.1Å; L404-P408 HydrophobicContact CD1-CG 4.16Å
405S74.7Confident88.7Confident71 Ų7155.8 Ų55.850%0.49730%0.295SS..SBendtrans-61-19.9176.757.80000114T336T336-S405 PolarHBondContact OG1-OG 2.91Å
406S79.4Confident88.6Confident30 Ų3060.7 Ų60.721%0.2131%0.312CS..SBendtrans-160.3152.2172.159.20000111.2K339 L404 P408K339-S406 WeakPolarHBondContact CD-OG 3.23Å; K339-S406 VanDerWaalsContact CE-CB 3.43Å; K339-S406 WeakPolarHBondContact CE-OG 3.38Å; K339-S406 WeakPolarHBondContact CG-OG 3.19Å; L404-S406 PolarHBondContact O-N 3.35Å; L404-S406 VanDerWaalsContact O-N 3.1Å; S406-P408 WeakPolarHBondContact O-CD 3.5Å
407Q88.5Confident88.5Confident84 Ų8465.6 Ų65.639%0.39333%0.334SS..  trans-71.5119.9173.4-62.6-56.8-4500110.7H401 E409 S410 L411H401-Q407 PolarHBondContact O-NE2 3.4Å; Q407-E409 VanDerWaalsContact C-N 3.25Å; Q407-E409 PolarHBondContact O-N 2.95Å; Q407-S410 PolarHBondContact O-N 3.22Å; Q407-S410 VanDerWaalsContact O-N 3.1Å; Q407-L411 PolarHBondContact O-N 3.39Å; Q407-L411 VanDerWaalsContact O-N 3.14Å
408P91.4Very high88.4Confident3 Ų361.9 Ų61.92%0.01932%0.32CS..Hα-helixtrans-57.4-32.9-177.8-25.434.4000114.3L387 L391 F396 L404 S406 L411 L412L387-P408 HydrophobicContact CD2-CB 4.14Å; L391-P408 HydrophobicContact CD2-CB 4.04Å; L391-P408 HydrophobicContact CG-CB 4.36Å; F396-P408 HydrophobicContact CE1-CG 3.96Å; F396-P408 HydrophobicContact CZ-CG 3.76Å; L404-P408 HydrophobicContact CD1-CG 4.16Å; S406-P408 WeakPolarHBondContact O-CD 3.5Å; P408-L411 PolarHBondContact O-N 3.19Å; P408-L412 WeakPolarHBondContact O-CB 3.35Å; P408-L412 PolarHBondContact O-N 3.06Å
409E93.2Very high88.3Confident95 Ų9557 Ų5744%0.44430%0.302SS..Hα-helixtrans-65.2-41.6176.7-63.985.5165.900111.9L391 Q407 L412 Q413L391-E409 HydrophobicContact CD1-CG 4Å; L391-E409 VanDerWaalsContact CD2-CD 3.41Å; L391-E409 HydrophobicContact CD2-CG 3.89Å; L391-E409 WeakPolarHBondContact CD2-OE1 3.33Å; Q407-E409 VanDerWaalsContact C-N 3.25Å; Q407-E409 PolarHBondContact O-N 2.95Å; E409-L412 PolarHBondContact O-N 3.15Å; E409-Q413 PolarHBondContact O-N 3.06Å
410S93.5Very high88.2Confident59 Ų5961.5 Ų61.541%0.41333%0.326SS..Hα-helixtrans-66.7-43177.6-178.90000110.6Q407 Q413 Q414Q407-S410 PolarHBondContact O-N 3.22Å; Q407-S410 VanDerWaalsContact O-N 3.1Å; S410-Q413 PolarHBondContact O-N 3.19Å; S410-Q414 WeakPolarHBondContact O-CG 3.24Å; S410-Q414 PolarHBondContact O-N 3.03Å
411L95.1Very high88.2Confident5 Ų560 Ų603%0.02632%0.322CS..Hα-helixtrans-61-45.6174.8-179.763.6000111.3K339 A342 M346 L387 Q407 P408 Q413 Q414 I415K339-L411 HydrophobicContact CB-CD2 3.88Å; K339-L411 HydrophobicContact CG-CD1 4.46Å; K339-L411 HydrophobicContact CG-CD2 4.15Å; A342-L411 HydrophobicContact CB-CD1 3.94Å; A342-L411 HydrophobicContact CB-CD2 4.43Å; A342-L411 HydrophobicContact CB-CG 4.46Å; M346-L411 HydrophobicContact CE-CD1 3.88Å; L387-L411 HydrophobicContact CD1-CB 4.44Å; L387-L411 HydrophobicContact CD1-CD2 3.75Å; L387-L411 HydrophobicContact CD1-CG 3.94Å; L387-L411 HydrophobicContact CD2-CD2 4.32Å; Q407-L411 PolarHBondContact O-N 3.39Å; Q407-L411 VanDerWaalsContact O-N 3.14Å; P408-L411 PolarHBondContact O-N 3.19Å; L411-Q413 VanDerWaalsContact C-N 3.29Å; L411-Q413 PolarHBondContact O-N 3.22Å; L411-Q414 PolarHBondContact O-N 3.38Å; L411-I415 HydrophobicContact CD1-CD1 4.4Å; L411-I415 HydrophobicContact CD1-CG1 4.45Å; L411-I415 HydrophobicContact CG-CD1 4.06Å; L411-I415 VanDerWaalsContact O-CG1 3.28Å; L411-I415 WeakPolarHBondContact O-CG1 3.25Å; L411-I415 PolarHBondContact O-N 3Å
412L95.7Very high88Confident11 Ų1157.8 Ų57.86%0.05831%0.312CS..Hα-helixtrans-59-40.6176.9179.661.8000112A384 L387 E388 L391 P408 E409 R416A384-L412 HydrophobicContact CB-CD1 3.67Å; A384-L412 WeakPolarHBondContact O-CD1 3.27Å; L387-L412 HydrophobicContact CB-CD1 4.46Å; L387-L412 HydrophobicContact CD1-CB 4.41Å; E388-L412 HydrophobicContact CG-CD1 4.11Å; E388-L412 HydrophobicContact CG-CD2 3.7Å; L391-L412 HydrophobicContact CD1-CD2 4.03Å; P408-L412 WeakPolarHBondContact O-CB 3.35Å; P408-L412 PolarHBondContact O-N 3.06Å; E409-L412 PolarHBondContact O-N 3.15Å; L412-R416 WeakPolarHBondContact O-CG 3.33Å; L412-R416 PolarHBondContact O-N 2.98Å; L412-R416 VanDerWaalsContact O-N 3.11Å
413Q95.6Very high87.6Confident111 Ų11158.3 Ų58.352%0.51930%0.3SS..Hα-helixtrans-63.9-47.1174.6-178.1175.9-5.500111.8E409 S410 L411 I415 R416 E417E409-Q413 PolarHBondContact O-N 3.06Å; S410-Q413 PolarHBondContact O-N 3.19Å; L411-Q413 VanDerWaalsContact C-N 3.29Å; L411-Q413 PolarHBondContact O-N 3.22Å; Q413-I415 VanDerWaalsContact C-N 3.31Å; Q413-I415 PolarHBondContact O-N 3.04Å; Q413-R416 PolarHBondContact O-N 2.9Å; Q413-R416 VanDerWaalsContact O-N 3.12Å; Q413-E417 HydrophobicContact CG-CG 4.45Å; Q413-E417 WeakPolarHBondContact CG-OE1 3.42Å; Q413-E417 PolarHBondContact NE2-OE1 3.36Å; Q413-E417 WeakPolarHBondContact O-CG 3.37Å; Q413-E417 PolarHBondContact O-N 2.88Å
414Q95.8Very high86.7Confident81 Ų8156 Ų5638%0.37930%0.297SS..Hα-helixtrans-59.3-41177.7-71.8170.7-0.400112.2M346 S410 L411 E417 T418M346-Q414 HydrophobicContact CE-CB 4.37Å; M346-Q414 HydrophobicContact SD-CB 4.05Å; S410-Q414 WeakPolarHBondContact O-CG 3.24Å; S410-Q414 PolarHBondContact O-N 3.03Å; L411-Q414 PolarHBondContact O-N 3.38Å; Q414-E417 PolarHBondContact O-N 3.11Å; Q414-T418 WeakPolarHBondContact O-CB 3.46Å; Q414-T418 PolarHBondContact O-N 2.97Å; Q414-T418 PolarHBondContact O-OG1 3.1Å
415I95.3Very high85.4Confident2 Ų259.9 Ų59.91%0.0132%0.315CS..Hα-helixtrans-61.4-46.5175.2-66.3168.3000110.3A342 M346 L380 V383 A384 L387 L411 Q413 E417 T418 M419A342-I415 HydrophobicContact CB-CD1 3.78Å; A342-I415 HydrophobicContact CB-CG1 4.11Å; M346-I415 HydrophobicContact CE-CG1 4.41Å; M346-I415 HydrophobicContact SD-CB 4.48Å; M346-I415 HydrophobicContact SD-CG1 3.9Å; L380-I415 HydrophobicContact CB-CG2 3.98Å; L380-I415 HydrophobicContact CD2-CG1 4.23Å; L380-I415 HydrophobicContact CD2-CG2 4.31Å; V383-I415 HydrophobicContact CB-CD1 4.41Å; V383-I415 HydrophobicContact CG1-CD1 3.85Å; A384-I415 HydrophobicContact CB-CG2 3.98Å; L387-I415 HydrophobicContact CD1-CD1 3.77Å; L411-I415 HydrophobicContact CD1-CD1 4.4Å; L411-I415 HydrophobicContact CD1-CG1 4.45Å; L411-I415 HydrophobicContact CG-CD1 4.06Å; L411-I415 VanDerWaalsContact O-CG1 3.28Å; L411-I415 WeakPolarHBondContact O-CG1 3.25Å; L411-I415 PolarHBondContact O-N 3Å; Q413-I415 VanDerWaalsContact C-N 3.31Å; Q413-I415 PolarHBondContact O-N 3.04Å; I415-E417 PolarHBondContact O-N 3.48Å; I415-T418 PolarHBondContact O-N 3.1Å; I415-M419 HydrophobicContact CG2-CG 4.27Å; I415-M419 WeakPolarHBondContact O-CB 3.4Å; I415-M419 WeakPolarHBondContact O-CG 3.35Å; I415-M419 PolarHBondContact O-N 2.63Å
416R93.6Very high84.6Confident130 Ų13062.1 Ų62.149%0.49132%0.318SS..Hα-helixtrans-62.5-43.1179.2-72.7170.9177.3171.7-0.7112E388 L412 Q413 M419 L420E388-R416 IonicContact OE1-CZ 2.67Å; E388-R416 IonicContact OE1-NE 2.74Å; E388-R416 IonicContact OE1-NH2 3.91Å; E388-R416 PolarHBondContact OE1-NH2 2.97Å; L412-R416 WeakPolarHBondContact O-CG 3.33Å; L412-R416 PolarHBondContact O-N 2.98Å; L412-R416 VanDerWaalsContact O-N 3.11Å; Q413-R416 PolarHBondContact O-N 2.9Å; Q413-R416 VanDerWaalsContact O-N 3.12Å; R416-M419 PolarHBondContact O-N 3.29Å; R416-L420 VanDerWaalsContact O-CG 3.29Å; R416-L420 WeakPolarHBondContact O-CG 3.43Å; R416-L420 PolarHBondContact O-N 3.21Å
417E92.9Very high83.6Confident102 Ų10262.6 Ų62.648%0.47732%0.321SS..Hα-helixtrans-63.5-44.9177.3-72.5172.5-173.300111.7Q413 Q414 I415 M419 L420 S421Q413-E417 HydrophobicContact CG-CG 4.45Å; Q413-E417 WeakPolarHBondContact CG-OE1 3.42Å; Q413-E417 PolarHBondContact NE2-OE1 3.36Å; Q413-E417 WeakPolarHBondContact O-CG 3.37Å; Q413-E417 PolarHBondContact O-N 2.88Å; Q414-E417 PolarHBondContact O-N 3.11Å; I415-E417 PolarHBondContact O-N 3.48Å; E417-M419 PolarHBondContact O-N 2.87Å; E417-L420 PolarHBondContact O-N 3Å; E417-S421 PolarHBondContact O-N 3.45Å
418T91.4Very high82.1Confident20 Ų2058.6 Ų58.612%0.12330%0.302CS..Hα-helixtrans-61.5-45.6175.9-56.80000111.1M346 L349 L380 Q414 I415 L420 S421 T422M346-T418 HydrophobicContact CB-CG2 4.12Å; M346-T418 HydrophobicContact CG-CG2 3.97Å; L349-T418 HydrophobicContact CB-CG2 4.43Å; L349-T418 HydrophobicContact CD1-CG2 4.26Å; L380-T418 HydrophobicContact CD1-CG2 4.47Å; Q414-T418 WeakPolarHBondContact O-CB 3.46Å; Q414-T418 PolarHBondContact O-N 2.97Å; Q414-T418 PolarHBondContact O-OG1 3.1Å; I415-T418 PolarHBondContact O-N 3.1Å; T418-L420 VanDerWaalsContact C-N 3.29Å; T418-L420 PolarHBondContact O-N 2.74Å; T418-S421 PolarHBondContact O-N 3.37Å; T418-S421 PolarHBondContact O-OG 2.97Å; T418-T422 PolarHBondContact O-N 3.14Å; T418-T422 PolarHBondContact O-OG1 3.33Å
419M88.7Confident80.3Confident14 Ų1462.8 Ų62.87%0.06932%0.318CS..Hα-helixtrans-63.9-32.5177.5-71.9-65.1-59.100112.8A377 L380 Q381 I415 R416 E417 R423A377-M419 HydrophobicContact CB-CE 3.97Å; A377-M419 HydrophobicContact CB-SD 4.12Å; L380-M419 HydrophobicContact CB-CG 4.41Å; L380-M419 HydrophobicContact CB-SD 3.97Å; L380-M419 HydrophobicContact CD1-CG 4.47Å; L380-M419 HydrophobicContact CD1-SD 4.04Å; Q381-M419 HydrophobicContact CG-CE 3.85Å; I415-M419 HydrophobicContact CG2-CG 4.27Å; I415-M419 WeakPolarHBondContact O-CB 3.4Å; I415-M419 WeakPolarHBondContact O-CG 3.35Å; I415-M419 PolarHBondContact O-N 2.63Å; R416-M419 PolarHBondContact O-N 3.29Å; E417-M419 PolarHBondContact O-N 2.87Å; M419-R423 WeakPolarHBondContact O-CG 3.5Å; M419-R423 PolarHBondContact O-N 3.01Å
420L86.1Confident78.2Confident116 Ų11664.4 Ų64.461%0.60733%0.326SS*.Hα-helixtrans-71.5-43.6174.1-74.5169.2000112R416 E417 T418 R423 G424R416-L420 VanDerWaalsContact O-CG 3.29Å; R416-L420 WeakPolarHBondContact O-CG 3.43Å; R416-L420 PolarHBondContact O-N 3.21Å; E417-L420 PolarHBondContact O-N 3Å; T418-L420 VanDerWaalsContact C-N 3.29Å; T418-L420 PolarHBondContact O-N 2.74Å; L420-R423 PolarHBondContact O-N 3.3Å; L420-G424 PolarHBondContact O-N 3.47Å
421S82.6Confident75.7Confident57 Ų5773.9 Ų73.940%0.39936%0.363SS..Hα-helixtrans-64-43179.271.60000111.6E417 T418 R423 G424 Q425E417-S421 PolarHBondContact O-N 3.45Å; T418-S421 PolarHBondContact O-N 3.37Å; T418-S421 PolarHBondContact O-OG 2.97Å; S421-R423 VanDerWaalsContact C-N 3.31Å; S421-R423 PolarHBondContact O-N 3.33Å; S421-G424 PolarHBondContact O-N 3.46Å; S421-Q425 WeakPolarHBondContact O-CG 2.89Å; S421-Q425 PolarHBondContact O-N 3.25Å; S421-Q425 VanDerWaalsContact O-N 3.15Å
422T76.4Confident74.8Confident2 Ų277.3 Ų77.31%0.01238%0.38CS..Hα-helixtrans-64.5-35.1176.8-460000111.7L349 T418 S427 L428L349-T422 HydrophobicContact CD2-CG2 4.31Å; T418-T422 PolarHBondContact O-N 3.14Å; T418-T422 PolarHBondContact O-OG1 3.33Å; T422-S427 WeakPolarHBondContact CG2-OG 3.15Å; T422-S427 PolarHBondContact O-OG 2.98Å; T422-S427 VanDerWaalsContact O-OG 3.04Å; T422-L428 HydrophobicContact CG2-CD1 3.69Å; T422-L428 HydrophobicContact CG2-CD2 4.45Å; T422-L428 HydrophobicContact CG2-CG 3.78Å
423R69.8Low73.7Confident105 Ų10580.8 Ų80.840%0.39640%0.397SS..Hα-helixtrans-69.1-41.4173.8-73.3176.8-179.4-169.12112.5M419 L420 S421 Q425 H426 L428 Y429M419-R423 WeakPolarHBondContact O-CG 3.5Å; M419-R423 PolarHBondContact O-N 3.01Å; L420-R423 PolarHBondContact O-N 3.3Å; S421-R423 VanDerWaalsContact C-N 3.31Å; S421-R423 PolarHBondContact O-N 3.33Å; R423-Q425 VanDerWaalsContact C-N 3.28Å; R423-Q425 PolarHBondContact O-N 3.11Å; R423-H426 PolarHBondContact O-N 3.03Å; R423-L428 HydrophobicContact CG-CD1 4.03Å; R423-Y429 HydrophobicContact CG-CE2 4.04Å
424G57.6Low72.5Confident59 Ų5979.1 Ų79.161%0.60839%0.39SS*.Hα-helixtrans-66.7-25.9-178.900000114L420 S421 H426L420-G424 PolarHBondContact O-N 3.47Å; S421-G424 PolarHBondContact O-N 3.46Å; G424-H426 PolarHBondContact O-N 3.12Å
425Q57Low71.1Confident101 Ų10179 Ų7947%0.47239%0.391SS..THydrogen-bonded Turntrans-83.710.6176.2-69.9176.3-13.900114.1S353 S421 R423 S427S353-Q425 PolarHBondContact OG-OE1 2.86Å; S421-Q425 WeakPolarHBondContact O-CG 2.89Å; S421-Q425 PolarHBondContact O-N 3.25Å; S421-Q425 VanDerWaalsContact O-N 3.15Å; R423-Q425 VanDerWaalsContact C-N 3.28Å; R423-Q425 PolarHBondContact O-N 3.11Å; Q425-S427 PolarHBondContact O-N 2.71Å
426H57.2Low69.6Low118 Ų11883.8 Ų83.855%0.54642%0.415SS..THydrogen-bonded Turntrans59.71.5-178-63.3-73.1000116.4R423 G424 L428 Y429 Q430R423-H426 PolarHBondContact O-N 3.03Å; G424-H426 PolarHBondContact O-N 3.12Å; H426-L428 PolarHBondContact O-N 3.06Å; H426-Y429 PolarHBondContact O-N 3.09Å; H426-Q430 HydrophobicContact CB-CG 3.89Å; H426-Q430 WeakPolarHBondContact O-CB 3.44Å; H426-Q430 WeakPolarHBondContact O-CG 3.16Å; H426-Q430 PolarHBondContact O-N 3.23Å
427S58Low68Low40 Ų4080.7 Ų80.728%0.2841%0.41SS..THydrogen-bonded Turntrans-68.9-27.3-172.8590000114.5T422 Q425T422-S427 WeakPolarHBondContact CG2-OG 3.15Å; T422-S427 PolarHBondContact O-OG 2.98Å; T422-S427 VanDerWaalsContact O-OG 3.04Å; Q425-S427 PolarHBondContact O-N 2.71Å
428L58.3Low66.2Low0 Ų079.2 Ų79.20%041%0.405CS..THydrogen-bonded Turntrans-84.1-14.5176.4-71.2167.4000113.8H374 A377 T422 R423 H426H374-L428 PolarHBondContact NE2-O 3.02Å; H374-L428 VanDerWaalsContact NE2-O 3.07Å; A377-L428 HydrophobicContact CB-CD1 4.3Å; A377-L428 HydrophobicContact CB-CD2 3.83Å; T422-L428 HydrophobicContact CG2-CD1 3.69Å; T422-L428 HydrophobicContact CG2-CD2 4.45Å; T422-L428 HydrophobicContact CG2-CG 3.78Å; R423-L428 HydrophobicContact CG-CD1 4.03Å; H426-L428 PolarHBondContact O-N 3.06Å
429Y53Low64.3Low91 Ų9183.8 Ų83.836%0.35743%0.427SS..THydrogen-bonded Turntrans-129.82-170.4-65.1-74.6000115.4R3 R423 H426R3-Y429 PolarHBondContact NH1-O 3.42Å; R3-Y429 PolarHBondContact NH2-O 2.95Å; R423-Y429 HydrophobicContact CG-CE2 4.04Å; H426-Y429 PolarHBondContact O-N 3.09Å
430Q48.7Very low62.2Low129 Ų12989.6 Ų89.660%0.60346%0.457SS*.  trans-76149.1167.9-85.6171.6-3.800111.2R3 H426R3-Q430 PolarHBondContact NH1-O 3.09Å; R3-Q430 VanDerWaalsContact NH1-O 3.11Å; H426-Q430 HydrophobicContact CB-CG 3.89Å; H426-Q430 WeakPolarHBondContact O-CB 3.44Å; H426-Q430 WeakPolarHBondContact O-CG 3.16Å; H426-Q430 PolarHBondContact O-N 3.23Å
431E42.1Very low60.1Low257 Ų25787.2 Ų87.2100%1.20144%0.443SS*.  trans-67.10-169.7-75.5-177.7159.400114.5

Retrieved 431 of 431 residues in 1027.9 ms (Link to these results)

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