A0A061IF87_CRIGR Loading...

Glutathione S-transferase LANCL1

Functions as a glutathione transferase. Catalyzes conjugation of the glutathione (GSH) to artificial substrates 1-chloro-2,4-dinitrobenzene (CDNB) and p-nitrophenyl acetate. Mitigates neuronal oxidative stress during normal postnatal development and in response to oxidative stresses probably through GSH antioxidant defense mechanism. May play a role in EPS8 signaling. Binds glutathione.

AlphaFold DB , UniProt , Accession A0A061IF87, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Lancl1, Length 399 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
1M96.8Very high98.1Very high29 Ų2971.2 Ų71.214%0.14340%0.396CS..  0-57.90-67.2173.9-72.200114.3Q3 R4 N260 D270 V273 V308 Y312M1-Q3 VanDerWaalsContact C-N 3.26Å; M1-Q3 PolarHBondContact O-N 3.31Å; M1-R4 WeakPolarHBondContact O-CB 3.47Å; M1-R4 PolarHBondContact O-N 3.46Å; M1-N260 HydrophobicContact CE-CB 4.48Å; M1-N260 HydrophobicContact SD-CB 3.85Å; M1-N260 PolarHBondContact SD-ND2 3.47Å; M1-D270 WeakPolarHBondContact CE-OD1 3.35Å; M1-D270 WeakPolarHBondContact CE-OD2 3.22Å; M1-D270 WeakPolarHBondContact CG-O 3.32Å; M1-D270 PolarHBondContact N-O 2.82Å; M1-V273 HydrophobicContact CB-CG2 4.34Å; M1-V273 HydrophobicContact CG-CG2 3.74Å; M1-V273 HydrophobicContact SD-CG2 3.69Å; M1-V308 HydrophobicContact SD-CG1 4Å; M1-Y312 HydrophobicContact CB-CD1 4.1Å; M1-Y312 HydrophobicContact CB-CD2 4.23Å; M1-Y312 HydrophobicContact CB-CG 3.92Å; M1-Y312 HydrophobicContact CE-CD2 4.21Å; M1-Y312 HydrophobicContact CE-CE2 4.11Å; M1-Y312 HydrophobicContact SD-CD2 3.99Å; M1-Y312 HydrophobicContact SD-CE2 4.49Å; M1-Y312 HydrophobicContact SD-CG 4.46Å
2A97Very high98.2Very high65 Ų6570 Ų7054%0.53739%0.388SS..G310 helixtrans-48.5-36.9-170.900000116.1R4 A5 Y312A2-R4 PolarHBondContact O-N 3.43Å; A2-A5 PolarHBondContact O-N 2.88Å; A2-A5 VanDerWaalsContact O-O 3.05Å; A2-Y312 HydrophobicContact CB-CD1 4.41Å; A2-Y312 HydrophobicContact CB-CE1 3.94Å
3Q97.3Very high98.2Very high167 Ų16770.4 Ų70.478%0.7838%0.381SS*.G310 helixtrans-63.8-27178.3-66.3174.5-4.500113.9M1 K316M1-Q3 VanDerWaalsContact C-N 3.26Å; M1-Q3 PolarHBondContact O-N 3.31Å; Q3-K316 WeakPolarHBondContact O-CD 2.84Å; Q3-K316 PolarHBondContact O-NZ 3.17Å
4R98.1Very high98Very high136 Ų13670.4 Ų70.451%0.51338%0.381SS..G310 helixtrans-90.4-9.9-178.1-67-79.3177.3129.3-4.7113.1M1 A2 K316M1-R4 WeakPolarHBondContact O-CB 3.47Å; M1-R4 PolarHBondContact O-N 3.46Å; A2-R4 PolarHBondContact O-N 3.43Å; R4-K316 WeakPolarHBondContact O-CB 3.23Å; R4-K316 PolarHBondContact O-N 3.23Å
5A98.6Very high97.9Very high4 Ų475.7 Ų75.73%0.03340%0.399CS..BIsolated β-bridgetrans-114.9155.6-177.600000111.1A2 Y312 L314 K316A2-A5 PolarHBondContact O-N 2.88Å; A2-A5 VanDerWaalsContact O-O 3.05Å; A5-Y312 VanDerWaalsContact CB-O 3.31Å; A5-Y312 WeakPolarHBondContact CB-O 3.34Å; A5-L314 CarbonylContact C-O 3.52Å; A5-L314 VanDerWaalsContact CA-O 3.25Å; A5-L314 WeakPolarHBondContact CA-O 3.23Å; A5-K316 WeakPolarHBondContact O-CE 3.42Å
6F98.8Very high97.8Very high43 Ų4376.3 Ų76.319%0.18941%0.411CS..  trans-78.1144.8159.6-63-82.2000108.9N8 L314 K316 W354 H361F6-N8 PolarHBondContact O-N 2.94Å; F6-L314 HydrophobicContact CB-CB 4.42Å; F6-L314 PolarHBondContact N-O 2.95Å; F6-K316 HydrophobicContact CD1-CG 4.32Å; F6-K316 HydrophobicContact CD2-CG 3.96Å; F6-K316 HydrophobicContact CE1-CG 4.06Å; F6-K316 VanDerWaalsContact CE2-CA 3.47Å; F6-K316 HydrophobicContact CE2-CB 4.13Å; F6-K316 HydrophobicContact CE2-CG 3.71Å; F6-K316 HydrophobicContact CG-CG 4.28Å; F6-K316 HydrophobicContact CZ-CB 4.31Å; F6-K316 HydrophobicContact CZ-CG 3.74Å; F6-W354 HydrophobicContact CB-CH2 3.79Å; F6-W354 HydrophobicContact CB-CZ2 4.17Å; F6-W354 HydrophobicContact CD1-CH2 4.23Å; F6-W354 AromaticContact CD2-CH2 3.75Å; F6-W354 HydrophobicContact CD2-CH2 3.75Å; F6-W354 AromaticContact CD2-CZ2 3.34Å; F6-W354 HydrophobicContact CD2-CZ2 3.34Å; F6-W354 HydrophobicContact CE2-CH2 4.33Å; F6-W354 AromaticContact CE2-CZ2 3.74Å; F6-W354 HydrophobicContact CE2-CZ2 3.74Å; F6-W354 AromaticContact CG-CH2 3.67Å; F6-W354 HydrophobicContact CG-CH2 3.67Å; F6-W354 AromaticContact CG-CZ2 3.79Å; F6-W354 HydrophobicContact CG-CZ2 3.79Å; F6-H361 HydrophobicContact CE1-CB 4.49Å; F6-H361 WeakPolarHBondContact CE1-O 3.36Å; F6-H361 HydrophobicContact CE2-CB 4.22Å; F6-H361 HydrophobicContact CZ-CB 3.99Å; F6-H361 WeakPolarHBondContact CZ-O 3.28Å
7P98.6Very high97.7Very high114 Ų11475.7 Ų75.774%0.7441%0.408SS*.  trans-55.6130.1166.6-20.932.7000109.3P9P7-P9 VanDerWaalsContact O-CD 3.23Å; P7-P9 WeakPolarHBondContact O-CD 3.3Å
8N98.7Very high97.7Very high36 Ų3671.7 Ų71.719%0.19339%0.387CS..  trans-67.1115177.8-176.1-9.3000109.7F6 Y10 W310 L314F6-N8 PolarHBondContact O-N 2.94Å; N8-Y10 VanDerWaalsContact C-N 3.29Å; N8-Y10 WeakPolarHBondContact OD1-CB 3.27Å; N8-Y10 WeakPolarHBondContact OD1-CD2 3.22Å; N8-Y10 PolarHBondContact OD1-N 2.81Å; N8-W310 VanDerWaalsContact ND2-CD2 3.29Å; N8-W310 WeakPolarHBondContact ND2-CZ2 3.35Å; N8-W310 PolarHBondContact ND2-O 3.34Å; N8-L314 HydrophobicContact CB-CD1 4.3Å
9P98.5Very high97.7Very high88 Ų8874.4 Ų74.457%0.57140%0.397SS*.  trans-81.8-9.9-176.635-35.6000112.7P7P7-P9 VanDerWaalsContact O-CD 3.23Å; P7-P9 WeakPolarHBondContact O-CD 3.3Å
10Y98.6Very high97.6Very high41 Ų4174.1 Ų74.116%0.16140%0.4CS..SBendtrans-88.9134.2-171.6-51-59.4000111.5N8 L314 K350 W354N8-Y10 VanDerWaalsContact C-N 3.29Å; N8-Y10 WeakPolarHBondContact OD1-CB 3.27Å; N8-Y10 WeakPolarHBondContact OD1-CD2 3.22Å; N8-Y10 PolarHBondContact OD1-N 2.81Å; Y10-L314 HydrophobicContact CE2-CD1 4.18Å; Y10-K350 HydrophobicContact CD1-CD 3.98Å; Y10-K350 HydrophobicContact CD2-CB 3.86Å; Y10-K350 HydrophobicContact CD2-CD 4.48Å; Y10-K350 HydrophobicContact CE2-CB 4.37Å; Y10-K350 VanDerWaalsContact CE2-O 3.23Å; Y10-K350 WeakPolarHBondContact CE2-O 3.4Å; Y10-K350 HydrophobicContact CG-CB 4.09Å; Y10-K350 HydrophobicContact CG-CD 3.92Å; Y10-K350 HydrophobicContact CG-CG 4.26Å; Y10-W354 HydrophobicContact CE2-CB 4.21Å; Y10-W354 WeakPolarHBondContact OH-CA 3.48Å; Y10-W354 PolarHBondContact OH-N 3.27Å; Y10-W354 VanDerWaalsContact OH-N 3.16Å
11A98.4Very high97.7Very high60 Ų6071.2 Ų71.250%0.49638%0.384SS..PPolyproline II helixtrans-60.8141.1165.900000110.2L17 Y346A11-L17 HydrophobicContact CB-CD1 3.93Å; A11-Y346 WeakPolarHBondContact O-CE1 3.42Å; A11-Y346 PolarHBondContact O-OH 3.28Å
12D98.6Very high97.7Very high57 Ų5770.2 Ų70.231%0.30538%0.379SS..PPolyproline II helixtrans-67.9165.9174.8-156.35.5000110.7N14 W310 K343 R347D12-N14 PolarHBondContact O-N 3.14Å; D12-W310 HydrophobicContact CB-CZ2 4.33Å; D12-K343 WeakPolarHBondContact OD2-CE 3.45Å; D12-K343 IonicContact OD2-NZ 3.58Å; D12-K343 PolarHBondContact OD2-NZ 3.47Å; D12-R347 IonicContact OD1-CZ 2.71Å; D12-R347 IonicContact OD1-NE 3.13Å; D12-R347 PolarHBondContact OD1-NE 3.38Å; D12-R347 IonicContact OD1-NH2 3.7Å; D12-R347 IonicContact OD2-CZ 2.93Å; D12-R347 IonicContact OD2-NE 2.79Å; D12-R347 IonicContact OD2-NH2 2.96Å; D12-R347 PolarHBondContact OD2-NH2 2.61Å
13Y98.2Very high97.7Very high75 Ų7570.5 Ų70.529%0.29437%0.371SS..PPolyproline II helixtrans-51132.2-172.7169.8-100.8000113.2A18 V342 K343 Y346Y13-A18 HydrophobicContact CD2-CB 3.97Å; Y13-A18 HydrophobicContact CE2-CB 3.55Å; Y13-V342 HydrophobicContact CE1-CG2 4.48Å; Y13-V342 HydrophobicContact CE2-CG2 3.95Å; Y13-V342 VanDerWaalsContact OH-CG2 3.31Å; Y13-V342 WeakPolarHBondContact OH-CG2 3.37Å; Y13-K343 HydrophobicContact CD1-CB 3.97Å; Y13-K343 HydrophobicContact CD1-CG 4.42Å; Y13-K343 HydrophobicContact CG-CB 4.01Å; Y13-K343 HydrophobicContact CG-CG 4.29Å; Y13-Y346 HydrophobicContact CD2-CD1 4.37Å; Y13-Y346 HydrophobicContact CD2-CD2 4.27Å; Y13-Y346 AromaticContact CD2-CG 3.88Å; Y13-Y346 HydrophobicContact CD2-CG 3.88Å; Y13-Y346 HydrophobicContact CG-CG 4.48Å
14N96.3Very high97.5Very high71 Ų7168.4 Ų68.438%0.3838%0.375SS..  trans-140.8160.7152.668.763.1000108.4D12 S16 L17 A18D12-N14 PolarHBondContact O-N 3.14Å; N14-S16 VanDerWaalsContact C-N 3.32Å; N14-S16 PolarHBondContact O-N 2.88Å; N14-S16 PolarHBondContact OD1-N 3.06Å; N14-L17 WeakPolarHBondContact ND2-CD1 3.43Å; N14-L17 WeakPolarHBondContact ND2-CG 3.44Å; N14-L17 PolarHBondContact O-N 3.27Å; N14-L17 WeakPolarHBondContact OD1-CG 3.48Å; N14-L17 PolarHBondContact OD1-N 3.22Å; N14-A18 PolarHBondContact O-N 2.8Å; N14-A18 VanDerWaalsContact O-N 3.16Å
15K95.8Very high97.2Very high149 Ų14966.7 Ų66.765%0.64838%0.38SS*.Hα-helixtrans-57.8-42.8-173.1-170.2178.1178.2-177.50112.8A18 E19K15-A18 PolarHBondContact O-N 2.81Å; K15-E19 PolarHBondContact O-N 3.38Å
16S96.3Very high97Very high85 Ų8566.7 Ų66.759%0.59438%0.38SS*.Hα-helixtrans-66.1-40-178.1178.20000112.6N14 A18N14-S16 VanDerWaalsContact C-N 3.32Å; N14-S16 PolarHBondContact O-N 2.88Å; N14-S16 PolarHBondContact OD1-N 3.06Å; S16-A18 VanDerWaalsContact C-N 3.29Å; S16-A18 PolarHBondContact O-N 2.99Å
17L96.8Very high96.9Very high67 Ų6771.5 Ų71.535%0.35140%0.401SS..Hα-helixtrans-69.9-26.4175.9-68.7-179.9000112.9A11 N14 S20 Y21 Y346A11-L17 HydrophobicContact CB-CD1 3.93Å; N14-L17 WeakPolarHBondContact ND2-CD1 3.43Å; N14-L17 WeakPolarHBondContact ND2-CG 3.44Å; N14-L17 PolarHBondContact O-N 3.27Å; N14-L17 WeakPolarHBondContact OD1-CG 3.48Å; N14-L17 PolarHBondContact OD1-N 3.22Å; L17-S20 PolarHBondContact O-OG 3.13Å; L17-S20 VanDerWaalsContact O-OG 3.13Å; L17-Y21 VanDerWaalsContact O-CD2 3.32Å; L17-Y21 WeakPolarHBondContact O-CD2 3.26Å; L17-Y21 WeakPolarHBondContact O-CE2 3.34Å; L17-Y346 HydrophobicContact CB-CE2 3.98Å
18A97.2Very high96.9Very high4 Ų466.6 Ų66.63%0.03337%0.368CS..Hα-helixtrans-76.3-26.2-178.100000113.4Y13 N14 K15 S16 S20 Y21 F22 Y346Y13-A18 HydrophobicContact CD2-CB 3.97Å; Y13-A18 HydrophobicContact CE2-CB 3.55Å; N14-A18 PolarHBondContact O-N 2.8Å; N14-A18 VanDerWaalsContact O-N 3.16Å; K15-A18 PolarHBondContact O-N 2.81Å; S16-A18 VanDerWaalsContact C-N 3.29Å; S16-A18 PolarHBondContact O-N 2.99Å; A18-S20 PolarHBondContact O-N 3.43Å; A18-S20 VanDerWaalsContact O-N 3.12Å; A18-Y21 PolarHBondContact O-N 3.12Å; A18-F22 HydrophobicContact CB-CE2 3.93Å; A18-F22 HydrophobicContact CB-CZ 3.83Å; A18-F22 PolarHBondContact O-N 3.28Å; A18-F22 VanDerWaalsContact O-N 3.1Å; A18-Y346 HydrophobicContact CB-CD2 4.12Å
19E97.1Very high96.9Very high123 Ų12365.8 Ų65.858%0.57537%0.365SS*.THydrogen-bonded Turntrans-59.6-24.2-177.9-74.2169.7-175.700113.3K15 Y21 T29K15-E19 PolarHBondContact O-N 3.38Å; E19-Y21 VanDerWaalsContact C-N 3.29Å; E19-Y21 PolarHBondContact O-N 3.25Å; E19-T29 WeakPolarHBondContact O-CG2 3.24Å
20S96.8Very high96.9Very high67 Ų6766.3 Ų66.347%0.46937%0.368SS..THydrogen-bonded Turntrans-75.2-16.3173.858.30000114.1L17 A18 T29L17-S20 PolarHBondContact O-OG 3.13Å; L17-S20 VanDerWaalsContact O-OG 3.13Å; A18-S20 PolarHBondContact O-N 3.43Å; A18-S20 VanDerWaalsContact O-N 3.12Å; S20-T29 PolarHBondContact O-OG1 3.17Å
21Y98.6Very high97Very high14 Ų1470.8 Ų70.86%0.05539%0.39CS..THydrogen-bonded Turntrans-106.9-42.3-174.5-61.8-77.4000112.7L17 A18 E19 L28 T29 F32 Y346 C349 K350 E353L17-Y21 VanDerWaalsContact O-CD2 3.32Å; L17-Y21 WeakPolarHBondContact O-CD2 3.26Å; L17-Y21 WeakPolarHBondContact O-CE2 3.34Å; A18-Y21 PolarHBondContact O-N 3.12Å; E19-Y21 VanDerWaalsContact C-N 3.29Å; E19-Y21 PolarHBondContact O-N 3.25Å; Y21-L28 CarbonylContact O-C 3.54Å; Y21-L28 VanDerWaalsContact O-CA 3.23Å; Y21-L28 WeakPolarHBondContact O-CA 3.27Å; Y21-T29 PolarHBondContact O-N 2.87Å; Y21-F32 AromaticContact CD1-CD1 3.96Å; Y21-F32 HydrophobicContact CD1-CD1 3.96Å; Y21-F32 AromaticContact CD1-CD2 3.83Å; Y21-F32 HydrophobicContact CD1-CD2 3.83Å; Y21-F32 AromaticContact CD1-CE1 3.92Å; Y21-F32 HydrophobicContact CD1-CE1 3.92Å; Y21-F32 AromaticContact CD1-CE2 3.79Å; Y21-F32 HydrophobicContact CD1-CE2 3.79Å; Y21-F32 AromaticContact CD1-CG 3.92Å; Y21-F32 HydrophobicContact CD1-CG 3.92Å; Y21-F32 AromaticContact CD1-CZ 3.84Å; Y21-F32 HydrophobicContact CD1-CZ 3.84Å; Y21-F32 HydrophobicContact CE1-CD2 4.05Å; Y21-F32 AromaticContact CE1-CE2 3.85Å; Y21-F32 HydrophobicContact CE1-CE2 3.85Å; Y21-F32 HydrophobicContact CE1-CZ 4.2Å; Y21-Y346 HydrophobicContact CD2-CD2 4.15Å; Y21-Y346 HydrophobicContact CD2-CE2 4.14Å; Y21-Y346 HydrophobicContact CE2-CD2 4.49Å; Y21-Y346 HydrophobicContact CE2-CE2 4.05Å; Y21-C349 HydrophobicContact CD1-CB 3.73Å; Y21-C349 HydrophobicContact CE1-CB 4.44Å; Y21-C349 HydrophobicContact CG-CB 3.98Å; Y21-K350 PolarHBondContact OH-NZ 3.18Å; Y21-E353 HydrophobicContact CE1-CG 3.93Å; Y21-E353 WeakPolarHBondContact CE1-OE1 3.29Å; Y21-E353 VanDerWaalsContact CZ-OE1 3.3Å; Y21-E353 PolarHBondContact OH-OE1 3.07Å; Y21-E353 PolarHBondContact OH-OE2 2.78Å
22F98.4Very high97Very high9 Ų968.1 Ų68.14%0.03937%0.368CS..BIsolated β-bridgetrans-155.9158.6-177.949.7-97.6000112.4A18 K27 L28 V342 L345A18-F22 HydrophobicContact CB-CE2 3.93Å; A18-F22 HydrophobicContact CB-CZ 3.83Å; A18-F22 PolarHBondContact O-N 3.28Å; A18-F22 VanDerWaalsContact O-N 3.1Å; F22-K27 CarbonylContact C-O 3.51Å; F22-K27 WeakPolarHBondContact CA-O 3.23Å; F22-K27 WeakPolarHBondContact CB-O 3.39Å; F22-L28 HydrophobicContact CB-CD2 4.13Å; F22-L28 HydrophobicContact CD1-CD2 4.41Å; F22-V342 HydrophobicContact CE2-CB 3.85Å; F22-V342 HydrophobicContact CE2-CG1 4.27Å; F22-V342 HydrophobicContact CZ-CB 4.19Å; F22-L345 HydrophobicContact CB-CD2 4.32Å; F22-L345 HydrophobicContact CD1-CD2 3.68Å; F22-L345 HydrophobicContact CD1-CG 3.72Å; F22-L345 HydrophobicContact CD2-CD2 4.06Å; F22-L345 HydrophobicContact CE1-CB 4.11Å; F22-L345 HydrophobicContact CE1-CD2 3.92Å; F22-L345 HydrophobicContact CE1-CG 3.62Å; F22-L345 HydrophobicContact CE2-CD2 4.28Å; F22-L345 HydrophobicContact CG-CD2 3.75Å; F22-L345 HydrophobicContact CG-CG 4.32Å; F22-L345 HydrophobicContact CZ-CB 4.22Å; F22-L345 HydrophobicContact CZ-CD2 4.2Å; F22-L345 HydrophobicContact CZ-CG 4.13Å
23D96.7Very high97Very high71 Ų7166.7 Ų66.738%0.3836%0.362SS..  trans-80.6179.5174.96924.3000112.6T25 G26 K27D23-T25 PolarHBondContact O-N 3.12Å; D23-T25 VanDerWaalsContact OD1-CA 3.3Å; D23-T25 WeakPolarHBondContact OD1-CA 3.49Å; D23-T25 WeakPolarHBondContact OD1-CB 3.18Å; D23-T25 PolarHBondContact OD1-N 3.02Å; D23-T25 PolarHBondContact OD1-OG1 3.49Å; D23-T25 PolarHBondContact OD2-OG1 3.41Å; D23-G26 PolarHBondContact O-N 3.27Å; D23-G26 PolarHBondContact OD1-N 3.49Å; D23-K27 PolarHBondContact N-O 3.1Å; D23-K27 PolarHBondContact OD1-N 3.28Å; D23-K27 VanDerWaalsContact OD1-N 3.14Å
24S91.8Very high97Very high122 Ų12267.7 Ų67.785%0.85337%0.37SS*.THydrogen-bonded Turntrans-62.4-13179.557.80000114.8
25T92.2Very high97.1Very high101 Ų10169.9 Ų69.962%0.6237%0.372SS*.THydrogen-bonded Turntrans-93.5-0.917675.10000112.5D23 K27D23-T25 PolarHBondContact O-N 3.12Å; D23-T25 VanDerWaalsContact OD1-CA 3.3Å; D23-T25 WeakPolarHBondContact OD1-CA 3.49Å; D23-T25 WeakPolarHBondContact OD1-CB 3.18Å; D23-T25 PolarHBondContact OD1-N 3.02Å; D23-T25 PolarHBondContact OD1-OG1 3.49Å; D23-T25 PolarHBondContact OD2-OG1 3.41Å; T25-K27 VanDerWaalsContact C-N 3.27Å
26G94.8Very high97.3Very high4 Ų462.8 Ų62.84%0.04134%0.342CS..SBendtrans76.414.3-175.700000113.3D23 L345D23-G26 PolarHBondContact O-N 3.27Å; D23-G26 PolarHBondContact OD1-N 3.49Å; G26-L345 WeakPolarHBondContact O-CD2 3.11Å
27K97.5Very high97.4Very high144 Ų14459.6 Ų59.663%0.62632%0.319SS*.PPolyproline II helixtrans-82129172.8-177.9-176.4178-176.60109F22 D23 T25F22-K27 CarbonylContact C-O 3.51Å; F22-K27 WeakPolarHBondContact CA-O 3.23Å; F22-K27 WeakPolarHBondContact CB-O 3.39Å; D23-K27 PolarHBondContact N-O 3.1Å; D23-K27 PolarHBondContact OD1-N 3.28Å; D23-K27 VanDerWaalsContact OD1-N 3.14Å; T25-K27 VanDerWaalsContact C-N 3.27Å
28L98.7Very high97.5Very high10 Ų1060.3 Ų60.35%0.05232%0.323CS..BIsolated β-bridgetrans-61.2144.8-179.7-59.9-168000112Y21 F22 F32 S33 L36 L386 P389Y21-L28 CarbonylContact O-C 3.54Å; Y21-L28 VanDerWaalsContact O-CA 3.23Å; Y21-L28 WeakPolarHBondContact O-CA 3.27Å; F22-L28 HydrophobicContact CB-CD2 4.13Å; F22-L28 HydrophobicContact CD1-CD2 4.41Å; L28-F32 HydrophobicContact CD1-CD1 4.08Å; L28-F32 HydrophobicContact CD1-CE1 4.37Å; L28-F32 HydrophobicContact CD2-CD1 4.33Å; L28-S33 WeakPolarHBondContact CB-OG 3.45Å; L28-L36 HydrophobicContact CD1-CD1 3.78Å; L28-L386 HydrophobicContact CD1-CG 4.28Å; L28-L386 VanDerWaalsContact CD1-O 3.29Å; L28-L386 WeakPolarHBondContact CD1-O 3.29Å; L28-P389 HydrophobicContact CD2-CG 4.2Å; L28-P389 HydrophobicContact CG-CG 4.3Å
29T98.7Very high97.6Very high20 Ų2061.3 Ų61.312%0.12333%0.326CS..PPolyproline II helixtrans-63.6147.3172.9600000110.3E19 S20 Y21 E31 F32 S33E19-T29 WeakPolarHBondContact O-CG2 3.24Å; S20-T29 PolarHBondContact O-OG1 3.17Å; Y21-T29 PolarHBondContact O-N 2.87Å; T29-E31 PolarHBondContact O-N 2.89Å; T29-F32 PolarHBondContact O-N 3.45Å; T29-F32 VanDerWaalsContact OG1-CB 3.26Å; T29-F32 WeakPolarHBondContact OG1-CB 3.39Å; T29-F32 PolarHBondContact OG1-N 2.99Å; T29-S33 WeakPolarHBondContact O-CB 3.46Å; T29-S33 PolarHBondContact O-N 2.98Å; T29-S33 PolarHBondContact O-OG 3.22Å
30P98.6Very high97.7Very high98 Ų9855.4 Ų55.464%0.63630%0.299SS*.Hα-helixtrans-55.3-38.7173.5-26.235.5000112.5S33 Q34P30-S33 PolarHBondContact O-N 3.39Å; P30-Q34 WeakPolarHBondContact O-CB 3.34Å; P30-Q34 PolarHBondContact O-N 3.09Å
31E98.7Very high97.7Very high135 Ų13558.1 Ų58.163%0.63130%0.299SS*.Hα-helixtrans-63.3-48.3-179.7-64.274-162.500111.4T29 Q34 R35T29-E31 PolarHBondContact O-N 2.89Å; E31-Q34 PolarHBondContact O-N 3.35Å; E31-R35 PolarHBondContact O-N 3.41Å; E31-R35 VanDerWaalsContact O-N 3.17Å
32F98.8Very high97.8Very high4 Ų461.4 Ų61.42%0.01832%0.315CS..Hα-helixtrans-69-42178.2-172.6-123.3000111.5Y21 L28 T29 Q34 R35 L36 C349 A352 E353 L356 L386Y21-F32 AromaticContact CD1-CD1 3.96Å; Y21-F32 HydrophobicContact CD1-CD1 3.96Å; Y21-F32 AromaticContact CD1-CD2 3.83Å; Y21-F32 HydrophobicContact CD1-CD2 3.83Å; Y21-F32 AromaticContact CD1-CE1 3.92Å; Y21-F32 HydrophobicContact CD1-CE1 3.92Å; Y21-F32 AromaticContact CD1-CE2 3.79Å; Y21-F32 HydrophobicContact CD1-CE2 3.79Å; Y21-F32 AromaticContact CD1-CG 3.92Å; Y21-F32 HydrophobicContact CD1-CG 3.92Å; Y21-F32 AromaticContact CD1-CZ 3.84Å; Y21-F32 HydrophobicContact CD1-CZ 3.84Å; Y21-F32 HydrophobicContact CE1-CD2 4.05Å; Y21-F32 AromaticContact CE1-CE2 3.85Å; Y21-F32 HydrophobicContact CE1-CE2 3.85Å; Y21-F32 HydrophobicContact CE1-CZ 4.2Å; L28-F32 HydrophobicContact CD1-CD1 4.08Å; L28-F32 HydrophobicContact CD1-CE1 4.37Å; L28-F32 HydrophobicContact CD2-CD1 4.33Å; T29-F32 PolarHBondContact O-N 3.45Å; T29-F32 VanDerWaalsContact OG1-CB 3.26Å; T29-F32 WeakPolarHBondContact OG1-CB 3.39Å; T29-F32 PolarHBondContact OG1-N 2.99Å; F32-Q34 PolarHBondContact O-N 3.46Å; F32-R35 WeakPolarHBondContact O-CB 3.47Å; F32-R35 PolarHBondContact O-N 3.49Å; F32-R35 VanDerWaalsContact O-N 3.09Å; F32-L36 HydrophobicContact CD1-CD1 4.12Å; F32-L36 HydrophobicContact CD1-CG 4.45Å; F32-L36 HydrophobicContact CE1-CD1 3.85Å; F32-L36 HydrophobicContact CE1-CD2 4.29Å; F32-L36 HydrophobicContact CE1-CG 4.19Å; F32-L36 HydrophobicContact CE2-CD2 4.29Å; F32-L36 HydrophobicContact CE2-CG 4.5Å; F32-L36 HydrophobicContact CZ-CD1 4.32Å; F32-L36 HydrophobicContact CZ-CD2 3.91Å; F32-L36 HydrophobicContact CZ-CG 4.22Å; F32-L36 WeakPolarHBondContact O-CG 3.42Å; F32-L36 PolarHBondContact O-N 3.43Å; F32-C349 HydrophobicContact CE1-CB 3.89Å; F32-C349 HydrophobicContact CZ-CB 4.06Å; F32-A352 HydrophobicContact CZ-CB 4.26Å; F32-E353 HydrophobicContact CE2-CG 4.16Å; F32-L356 HydrophobicContact CE2-CD1 4.4Å; F32-L386 HydrophobicContact CE1-CD2 4.26Å
33S98.8Very high97.8Very high27 Ų2761 Ų6119%0.18931%0.313CS..Hα-helixtrans-57.9-37.1174.7-56.40000112.1L28 T29 P30 T37L28-S33 WeakPolarHBondContact CB-OG 3.45Å; T29-S33 WeakPolarHBondContact O-CB 3.46Å; T29-S33 PolarHBondContact O-N 2.98Å; T29-S33 PolarHBondContact O-OG 3.22Å; P30-S33 PolarHBondContact O-N 3.39Å; S33-T37 WeakPolarHBondContact O-CB 3.43Å; S33-T37 PolarHBondContact O-N 2.75Å; S33-T37 PolarHBondContact O-OG1 2.93Å
34Q98.8Very high97.9Very high96 Ų9658.2 Ų58.245%0.44930%0.298SS..Hα-helixtrans-67.7-41.2176.1-172.563.554.600111.8P30 E31 F32 T37 N38P30-Q34 WeakPolarHBondContact O-CB 3.34Å; P30-Q34 PolarHBondContact O-N 3.09Å; E31-Q34 PolarHBondContact O-N 3.35Å; F32-Q34 PolarHBondContact O-N 3.46Å; Q34-T37 PolarHBondContact O-N 3.14Å; Q34-N38 PolarHBondContact NE2-OD1 3.43Å; Q34-N38 WeakPolarHBondContact O-CB 3.48Å; Q34-N38 PolarHBondContact O-N 2.88Å; Q34-N38 PolarHBondContact O-ND2 2.89Å; Q34-N38 PolarHBondContact O-OD1 2.97Å
35R98.8Very high98.2Very high117 Ų11758.5 Ų58.544%0.44229%0.286SS..Hα-helixtrans-60.5-47.8174.8-70175.565-160-1.1111.5E31 F32 N38 K39 E353 L356E31-R35 PolarHBondContact O-N 3.41Å; E31-R35 VanDerWaalsContact O-N 3.17Å; F32-R35 WeakPolarHBondContact O-CB 3.47Å; F32-R35 PolarHBondContact O-N 3.49Å; F32-R35 VanDerWaalsContact O-N 3.09Å; R35-N38 PolarHBondContact O-N 3.22Å; R35-K39 PolarHBondContact O-N 3.42Å; R35-E353 IonicContact NH1-OE1 3.54Å; R35-E353 PolarHBondContact NH1-OE1 2.94Å; R35-L356 HydrophobicContact CB-CD1 4.27Å
36L98.9Very high98.5Very high0 Ų056.9 Ų56.90%027%0.271CS..Hα-helixtrans-57.4-51.9175.4-64.5179.4000110.9L28 F32 N38 K39 I40 A352 L356 L383 L386 L387L28-L36 HydrophobicContact CD1-CD1 3.78Å; F32-L36 HydrophobicContact CD1-CD1 4.12Å; F32-L36 HydrophobicContact CD1-CG 4.45Å; F32-L36 HydrophobicContact CE1-CD1 3.85Å; F32-L36 HydrophobicContact CE1-CD2 4.29Å; F32-L36 HydrophobicContact CE1-CG 4.19Å; F32-L36 HydrophobicContact CE2-CD2 4.29Å; F32-L36 HydrophobicContact CE2-CG 4.5Å; F32-L36 HydrophobicContact CZ-CD1 4.32Å; F32-L36 HydrophobicContact CZ-CD2 3.91Å; F32-L36 HydrophobicContact CZ-CG 4.22Å; F32-L36 WeakPolarHBondContact O-CG 3.42Å; F32-L36 PolarHBondContact O-N 3.43Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 2.95Å; L36-K39 PolarHBondContact O-N 3.37Å; L36-I40 WeakPolarHBondContact O-CD1 3.5Å; L36-I40 VanDerWaalsContact O-CG1 3.27Å; L36-I40 WeakPolarHBondContact O-CG1 3.37Å; L36-I40 PolarHBondContact O-N 2.88Å; L36-A352 HydrophobicContact CD2-CB 4.02Å; L36-L356 HydrophobicContact CD2-CD2 4.23Å; L36-L383 HydrophobicContact CD2-CD2 3.89Å; L36-L386 HydrophobicContact CD1-CD2 4.02Å; L36-L386 HydrophobicContact CD1-CG 4.21Å; L36-L386 HydrophobicContact CD2-CD2 4.42Å; L36-L387 HydrophobicContact CB-CD2 4.13Å; L36-L387 HydrophobicContact CD1-CD2 4.02Å
37T98.8Very high98.7Very high18 Ų1856.7 Ų56.711%0.1127%0.269CS..Hα-helixtrans-60-40.6-179.3-560000112.6S33 Q34 I40 R41 F79S33-T37 WeakPolarHBondContact O-CB 3.43Å; S33-T37 PolarHBondContact O-N 2.75Å; S33-T37 PolarHBondContact O-OG1 2.93Å; Q34-T37 PolarHBondContact O-N 3.14Å; T37-I40 PolarHBondContact O-N 2.91Å; T37-R41 WeakPolarHBondContact O-CG 3.46Å; T37-R41 PolarHBondContact O-N 3.03Å; T37-R41 VanDerWaalsContact O-N 3.14Å; T37-F79 HydrophobicContact CG2-CE1 4Å; T37-F79 HydrophobicContact CG2-CZ 4.43Å
38N98.8Very high98.8Very high82 Ų8251.9 Ų51.944%0.43925%0.249SC..Hα-helixtrans-62.9-46.6176.6-73.3-11.6000111.3Q34 R35 L36 R41 E42Q34-N38 PolarHBondContact NE2-OD1 3.43Å; Q34-N38 WeakPolarHBondContact O-CB 3.48Å; Q34-N38 PolarHBondContact O-N 2.88Å; Q34-N38 PolarHBondContact O-ND2 2.89Å; Q34-N38 PolarHBondContact O-OD1 2.97Å; R35-N38 PolarHBondContact O-N 3.22Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 2.95Å; N38-R41 PolarHBondContact O-N 3.21Å; N38-E42 PolarHBondContact O-N 3.14Å
39K98.8Very high98.8Very high25 Ų2559.2 Ų59.211%0.10928%0.276CS..Hα-helixtrans-66.7-37.8179.1-167.470.6-177.5-177.80112.3R35 L36 R41 E42 L43 L356 L383R35-K39 PolarHBondContact O-N 3.42Å; L36-K39 PolarHBondContact O-N 3.37Å; K39-R41 VanDerWaalsContact C-N 3.33Å; K39-R41 PolarHBondContact O-N 2.95Å; K39-E42 WeakPolarHBondContact CD-OE2 3.22Å; K39-E42 IonicContact NZ-OE1 3.85Å; K39-E42 PolarHBondContact NZ-OE1 3.38Å; K39-E42 IonicContact NZ-OE2 3.04Å; K39-E42 PolarHBondContact NZ-OE2 3.26Å; K39-E42 PolarHBondContact O-N 3.4Å; K39-L43 HydrophobicContact CD-CG 4.38Å; K39-L43 HydrophobicContact CG-CD1 3.96Å; K39-L43 HydrophobicContact CG-CG 4.14Å; K39-L43 WeakPolarHBondContact O-CB 3.36Å; K39-L43 WeakPolarHBondContact O-CG 3.4Å; K39-L43 PolarHBondContact O-N 2.67Å; K39-L356 HydrophobicContact CB-CD2 3.42Å; K39-L356 VanDerWaalsContact CB-CD2 3.42Å; K39-L356 WeakPolarHBondContact CD-O 3.4Å; K39-L356 WeakPolarHBondContact CE-O 3.31Å; K39-L356 HydrophobicContact CG-CD2 3.73Å; K39-L356 PolarHBondContact NZ-O 3.49Å; K39-L356 VanDerWaalsContact NZ-O 3.12Å; K39-L383 HydrophobicContact CG-CD1 4.31Å
40I98.9Very high98.8Very high0 Ų058.7 Ų58.70%028%0.275CS..Hα-helixtrans-54.4-50.2172.7-72.9161.8000110.3L36 T37 E42 L43 L44 L75 F79 I380 L383 A384 L387L36-I40 WeakPolarHBondContact O-CD1 3.5Å; L36-I40 VanDerWaalsContact O-CG1 3.27Å; L36-I40 WeakPolarHBondContact O-CG1 3.37Å; L36-I40 PolarHBondContact O-N 2.88Å; T37-I40 PolarHBondContact O-N 2.91Å; I40-E42 PolarHBondContact O-N 2.94Å; I40-L43 PolarHBondContact O-N 3.08Å; I40-L44 HydrophobicContact CG2-CD1 3.76Å; I40-L44 HydrophobicContact CG2-CG 4.4Å; I40-L44 WeakPolarHBondContact O-CB 3.47Å; I40-L44 WeakPolarHBondContact O-CG 3.41Å; I40-L44 PolarHBondContact O-N 3Å; I40-L75 HydrophobicContact CG2-CD2 4.24Å; I40-F79 HydrophobicContact CD1-CZ 4.08Å; I40-F79 HydrophobicContact CG2-CE2 4.3Å; I40-F79 HydrophobicContact CG2-CZ 4.43Å; I40-I380 HydrophobicContact CG2-CG2 4.03Å; I40-L383 HydrophobicContact CD1-CB 3.97Å; I40-L383 HydrophobicContact CG1-CB 3.72Å; I40-L383 HydrophobicContact CG1-CD1 4.45Å; I40-A384 HydrophobicContact CD1-CB 3.97Å; I40-L387 HydrophobicContact CD1-CD1 4.25Å
41R98.8Very high98.8Very high124 Ų12454.6 Ų54.647%0.46825%0.247SC..Hα-helixtrans-63.9-41.8179.2-69.1178.8-173136-0.4112.8T37 N38 K39 L44 Q45T37-R41 WeakPolarHBondContact O-CG 3.46Å; T37-R41 PolarHBondContact O-N 3.03Å; T37-R41 VanDerWaalsContact O-N 3.14Å; N38-R41 PolarHBondContact O-N 3.21Å; K39-R41 VanDerWaalsContact C-N 3.33Å; K39-R41 PolarHBondContact O-N 2.95Å; R41-L44 PolarHBondContact O-N 2.91Å; R41-Q45 WeakPolarHBondContact O-CG 3.34Å; R41-Q45 PolarHBondContact O-N 3.22Å
42E98.8Very high98.7Very high83 Ų8356.8 Ų56.839%0.38826%0.255SS..Hα-helixtrans-60.1-51.2176.9-175.5-160132.400111.4N38 K39 I40 Q45 Q46N38-E42 PolarHBondContact O-N 3.14Å; K39-E42 WeakPolarHBondContact CD-OE2 3.22Å; K39-E42 IonicContact NZ-OE1 3.85Å; K39-E42 PolarHBondContact NZ-OE1 3.38Å; K39-E42 IonicContact NZ-OE2 3.04Å; K39-E42 PolarHBondContact NZ-OE2 3.26Å; K39-E42 PolarHBondContact O-N 3.4Å; I40-E42 PolarHBondContact O-N 2.94Å; E42-Q45 PolarHBondContact O-N 3.38Å; E42-Q46 PolarHBondContact O-N 3.22Å; E42-Q46 PolarHBondContact OE1-NE2 2.9Å
43L98.9Very high98.6Very high1 Ų161.5 Ų61.51%0.00529%0.288CS..Hα-helixtrans-66.8-37.1-179.7-67.5179.3000111.7K39 I40 Q45 Q46 M47 Y358 M376 I380 L383K39-L43 HydrophobicContact CD-CG 4.38Å; K39-L43 HydrophobicContact CG-CD1 3.96Å; K39-L43 HydrophobicContact CG-CG 4.14Å; K39-L43 WeakPolarHBondContact O-CB 3.36Å; K39-L43 WeakPolarHBondContact O-CG 3.4Å; K39-L43 PolarHBondContact O-N 2.67Å; I40-L43 PolarHBondContact O-N 3.08Å; L43-Q45 VanDerWaalsContact C-N 3.29Å; L43-Q45 PolarHBondContact O-N 3.06Å; L43-Q46 PolarHBondContact O-N 3.43Å; L43-Q46 VanDerWaalsContact O-N 3.1Å; L43-M47 WeakPolarHBondContact O-CB 3.2Å; L43-M47 PolarHBondContact O-N 3.03Å; L43-Y358 HydrophobicContact CD2-CD1 4.26Å; L43-Y358 HydrophobicContact CD2-CG 4.19Å; L43-M376 HydrophobicContact CB-CG 4.17Å; L43-M376 HydrophobicContact CB-SD 4.02Å; L43-M376 HydrophobicContact CD2-CE 3.99Å; L43-M376 HydrophobicContact CD2-CG 4.36Å; L43-M376 HydrophobicContact CD2-SD 4.01Å; L43-I380 HydrophobicContact CB-CD1 3.78Å; L43-I380 HydrophobicContact CB-CG1 3.67Å; L43-I380 HydrophobicContact CD1-CG1 4.21Å; L43-L383 HydrophobicContact CD1-CD1 4.22Å
44L98.9Very high98.6Very high11 Ų1162 Ų626%0.05829%0.294CS..Hα-helixtrans-57.7-41.3174.2-79.5169.3000112.1I40 R41 Q46 M47 E48 L71 Y72 L75 Y84 I380I40-L44 HydrophobicContact CG2-CD1 3.76Å; I40-L44 HydrophobicContact CG2-CG 4.4Å; I40-L44 WeakPolarHBondContact O-CB 3.47Å; I40-L44 WeakPolarHBondContact O-CG 3.41Å; I40-L44 PolarHBondContact O-N 3Å; R41-L44 PolarHBondContact O-N 2.91Å; L44-Q46 VanDerWaalsContact C-N 3.34Å; L44-Q46 PolarHBondContact O-N 3.45Å; L44-M47 HydrophobicContact CD2-CE 3.74Å; L44-M47 PolarHBondContact O-N 3.25Å; L44-E48 WeakPolarHBondContact O-CB 3.37Å; L44-E48 WeakPolarHBondContact O-CG 2.99Å; L44-E48 PolarHBondContact O-N 3.19Å; L44-L71 HydrophobicContact CD2-CD2 4.26Å; L44-Y72 HydrophobicContact CD2-CE1 4.3Å; L44-L75 HydrophobicContact CD1-CD1 3.89Å; L44-L75 HydrophobicContact CD2-CD1 3.76Å; L44-L75 HydrophobicContact CG-CD1 4.43Å; L44-Y84 HydrophobicContact CD1-CE1 4.29Å; L44-I380 HydrophobicContact CD2-CD1 3.99Å; L44-I380 HydrophobicContact CD2-CG2 4.12Å; L44-I380 HydrophobicContact CG-CD1 4.12Å; L44-I380 HydrophobicContact CG-CG2 4.11Å
45Q98.8Very high98.5Very high128 Ų12862.1 Ų62.160%0.59830%0.298SS*.Hα-helixtrans-66.2-35.7176.1-68.2175.820.200112.8R41 E42 L43 R49R41-Q45 WeakPolarHBondContact O-CG 3.34Å; R41-Q45 PolarHBondContact O-N 3.22Å; E42-Q45 PolarHBondContact O-N 3.38Å; L43-Q45 VanDerWaalsContact C-N 3.29Å; L43-Q45 PolarHBondContact O-N 3.06Å; Q45-R49 WeakPolarHBondContact O-CG 3.44Å; Q45-R49 PolarHBondContact O-N 3.08Å; Q45-R49 PolarHBondContact O-NE 3.14Å
46Q98.8Very high98.5Very high67 Ų6760.4 Ų60.431%0.31330%0.302SS..Hα-helixtrans-68.8-46.8175.1-64.5-178.438.300111E42 L43 L44 R49 G50 M376E42-Q46 PolarHBondContact O-N 3.22Å; E42-Q46 PolarHBondContact OE1-NE2 2.9Å; L43-Q46 PolarHBondContact O-N 3.43Å; L43-Q46 VanDerWaalsContact O-N 3.1Å; L44-Q46 VanDerWaalsContact C-N 3.34Å; L44-Q46 PolarHBondContact O-N 3.45Å; Q46-R49 PolarHBondContact O-N 2.84Å; Q46-G50 PolarHBondContact O-N 2.81Å; Q46-M376 HydrophobicContact CB-CE 4.07Å; Q46-M376 HydrophobicContact CB-SD 3.85Å
47M98.8Very high98.4Very high0 Ų067 Ų670%033%0.333CS..Hα-helixtrans-57.2-52.3177.3-173-168.477.100111.4L43 L44 R49 G50 L51 I68 L71 Y72 F370 M376 A377 I380L43-M47 WeakPolarHBondContact O-CB 3.2Å; L43-M47 PolarHBondContact O-N 3.03Å; L44-M47 HydrophobicContact CD2-CE 3.74Å; L44-M47 PolarHBondContact O-N 3.25Å; M47-R49 VanDerWaalsContact C-N 3.28Å; M47-R49 PolarHBondContact O-N 3.11Å; M47-G50 CarbonylContact O-C 3.26Å; M47-G50 WeakPolarHBondContact O-CA 3.32Å; M47-G50 PolarHBondContact O-N 3.19Å; M47-L51 HydrophobicContact CE-CD1 4.03Å; M47-L51 HydrophobicContact CG-CD1 3.93Å; M47-L51 HydrophobicContact CG-CG 4.21Å; M47-L51 VanDerWaalsContact O-CG 3.32Å; M47-L51 WeakPolarHBondContact O-CG 3.42Å; M47-L51 PolarHBondContact O-N 2.79Å; M47-L51 HydrophobicContact SD-CD1 4.45Å; M47-I68 HydrophobicContact CE-CG2 4.29Å; M47-L71 HydrophobicContact CE-CD2 3.84Å; M47-L71 HydrophobicContact SD-CD2 3.67Å; M47-Y72 HydrophobicContact CE-CE2 3.81Å; M47-F370 HydrophobicContact CB-CD1 4.42Å; M47-F370 HydrophobicContact CG-CB 4.05Å; M47-F370 HydrophobicContact CG-CD1 4.4Å; M47-M376 HydrophobicContact CB-CG 4.49Å; M47-M376 HydrophobicContact CB-SD 3.95Å; M47-A377 HydrophobicContact SD-CB 3.62Å; M47-I380 HydrophobicContact CB-CD1 4.22Å; M47-I380 HydrophobicContact SD-CD1 3.83Å
48E98.7Very high98.4Very high44 Ų4468 Ų6821%0.20634%0.337CS..Hα-helixtrans-59.4-35.6179.6-81-65.4156.400113.3L44 Y72 M87 Y91L44-E48 WeakPolarHBondContact O-CB 3.37Å; L44-E48 WeakPolarHBondContact O-CG 2.99Å; L44-E48 PolarHBondContact O-N 3.19Å; E48-Y72 WeakPolarHBondContact CG-OH 3.37Å; E48-Y72 VanDerWaalsContact OE1-CE2 3.27Å; E48-Y72 WeakPolarHBondContact OE1-CE2 3.37Å; E48-Y72 VanDerWaalsContact OE1-CZ 3.25Å; E48-Y72 PolarHBondContact OE1-OH 2.91Å; E48-M87 VanDerWaalsContact CD-CE 3.49Å; E48-M87 WeakPolarHBondContact OE1-CE 3.5Å; E48-Y91 VanDerWaalsContact CD-OH 3.26Å; E48-Y91 PolarHBondContact OE1-OH 3.16Å; E48-Y91 PolarHBondContact OE2-OH 3.4Å; E48-Y91 VanDerWaalsContact OE2-OH 3.05Å
49R98.6Very high98.4Very high164 Ų16464.4 Ų64.462%0.61932%0.32SS*.Hα-helixtrans-68.1-43.6173.1-74.7-175.8-68.4-1751.4111.5Q45 Q46 M47 K52Q45-R49 WeakPolarHBondContact O-CG 3.44Å; Q45-R49 PolarHBondContact O-N 3.08Å; Q45-R49 PolarHBondContact O-NE 3.14Å; Q46-R49 PolarHBondContact O-N 2.84Å; M47-R49 VanDerWaalsContact C-N 3.28Å; M47-R49 PolarHBondContact O-N 3.11Å; R49-K52 WeakPolarHBondContact O-CB 3.35Å; R49-K52 PolarHBondContact O-N 3.11Å
50G98.3Very high98.4Very high9 Ų964 Ų649%0.09332%0.32CS..Hα-helixtrans-69.1-33.8-179.300000114.6Q46 M47 K52 S53Q46-G50 PolarHBondContact O-N 2.81Å; M47-G50 CarbonylContact O-C 3.26Å; M47-G50 WeakPolarHBondContact O-CA 3.32Å; M47-G50 PolarHBondContact O-N 3.19Å; G50-K52 PolarHBondContact O-N 3.32Å; G50-S53 PolarHBondContact O-N 2.89Å; G50-S53 VanDerWaalsContact O-N 3.15Å; G50-S53 PolarHBondContact O-OG 3.12Å
51L98.6Very high98.4Very high11 Ų1164 Ų646%0.05832%0.32CS..Hα-helixtrans-63.8-21.2178.4-74.7173.7000113M47 S53 A54 W65 I68 Y91 F370M47-L51 HydrophobicContact CE-CD1 4.03Å; M47-L51 HydrophobicContact CG-CD1 3.93Å; M47-L51 HydrophobicContact CG-CG 4.21Å; M47-L51 VanDerWaalsContact O-CG 3.32Å; M47-L51 WeakPolarHBondContact O-CG 3.42Å; M47-L51 PolarHBondContact O-N 2.79Å; M47-L51 HydrophobicContact SD-CD1 4.45Å; L51-S53 PolarHBondContact O-N 2.71Å; L51-S53 VanDerWaalsContact O-N 3.14Å; L51-A54 HydrophobicContact CD2-CB 4.22Å; L51-A54 WeakPolarHBondContact O-CB 3.45Å; L51-A54 PolarHBondContact O-N 2.59Å; L51-A54 VanDerWaalsContact O-N 3.09Å; L51-W65 HydrophobicContact CB-CZ3 4.27Å; L51-W65 HydrophobicContact CD2-CZ3 4.08Å; L51-W65 WeakPolarHBondContact O-CH2 3.35Å; L51-I68 HydrophobicContact CD1-CD1 4.14Å; L51-I68 HydrophobicContact CD1-CG1 4.07Å; L51-I68 HydrophobicContact CD1-CG2 3.8Å; L51-I68 HydrophobicContact CD2-CD1 3.98Å; L51-I68 HydrophobicContact CD2-CG1 4.01Å; L51-Y91 HydrophobicContact CD1-CE1 4.36Å; L51-Y91 WeakPolarHBondContact CD1-OH 3.34Å; L51-F370 HydrophobicContact CD2-CB 3.79Å; L51-F370 HydrophobicContact CG-CB 4.11Å
52K97.6Very high98.4Very high181 Ų18159.5 Ų59.579%0.78730%0.303SS*.THydrogen-bonded Turntrans-61.2-21.4174.8-63.5-178.8-178.3-178.40113.6R49 G50R49-K52 WeakPolarHBondContact O-CB 3.35Å; R49-K52 PolarHBondContact O-N 3.11Å; G50-K52 PolarHBondContact O-N 3.32Å
53S97.2Very high98.4Very high104 Ų10457.2 Ų57.273%0.72730%0.295SS*.THydrogen-bonded Turntrans-111.27.717755.30000113.5G50 L51G50-S53 PolarHBondContact O-N 2.89Å; G50-S53 VanDerWaalsContact O-N 3.15Å; G50-S53 PolarHBondContact O-OG 3.12Å; L51-S53 PolarHBondContact O-N 2.71Å; L51-S53 VanDerWaalsContact O-N 3.14Å
54A98Very high98.4Very high38 Ų3857.4 Ų57.431%0.31430%0.297SS..SBendtrans-71.3157.5175.700000111L51 P56 W65L51-A54 HydrophobicContact CD2-CB 4.22Å; L51-A54 WeakPolarHBondContact O-CB 3.45Å; L51-A54 PolarHBondContact O-N 2.59Å; L51-A54 VanDerWaalsContact O-N 3.09Å; A54-P56 WeakPolarHBondContact O-CD 3.21Å; A54-P56 VanDerWaalsContact O-N 3.14Å; A54-W65 HydrophobicContact CB-CH2 3.75Å; A54-W65 HydrophobicContact CB-CZ2 4.15Å; A54-W65 HydrophobicContact CB-CZ3 4.46Å
55D97.9Very high98.4Very high97 Ų9757.4 Ų57.452%0.51930%0.297SS..  trans-59.2116.1-178.3-176-7000110.6Q57 D58 W65D55-Q57 PolarHBondContact O-N 3.27Å; D55-Q57 VanDerWaalsContact O-N 3.15Å; D55-Q57 WeakPolarHBondContact OD1-CB 3.34Å; D55-Q57 PolarHBondContact OD1-N 3.27Å; D55-D58 HydrophobicContact CB-CB 4.3Å; D55-D58 PolarHBondContact O-N 3.4Å; D55-W65 WeakPolarHBondContact O-CZ2 3.12Å; D55-W65 PolarHBondContact O-NE1 2.84Å
56P97.1Very high98.4Very high82 Ų8251.3 Ų51.353%0.53227%0.268SS..THydrogen-bonded Turntrans-65.2-17.1-179.827.8-35.3000113.2A54 W65A54-P56 WeakPolarHBondContact O-CD 3.21Å; A54-P56 VanDerWaalsContact O-N 3.14Å; P56-W65 PolarHBondContact O-NE1 2.9Å
57Q97.6Very high98.4Very high139 Ų13948.1 Ų48.165%0.6525%0.253SS*.THydrogen-bonded Turntrans-92.3-12.9-177.4-57.4-59.2-22.600113.9D55 G59 C98D55-Q57 PolarHBondContact O-N 3.27Å; D55-Q57 VanDerWaalsContact O-N 3.15Å; D55-Q57 WeakPolarHBondContact OD1-CB 3.34Å; D55-Q57 PolarHBondContact OD1-N 3.27Å; Q57-G59 PolarHBondContact O-N 3.25Å; Q57-C98 WeakPolarHBondContact O-CB 3.36Å
58D98.4Very high98.4Very high37 Ų3748.1 Ų48.120%0.19825%0.253CS..  trans-86.198.1178.7-171.9-2.6000111.4D55 S60 T63 G64 W65D55-D58 HydrophobicContact CB-CB 4.3Å; D55-D58 PolarHBondContact O-N 3.4Å; D58-S60 WeakPolarHBondContact OD1-CB 3.34Å; D58-S60 PolarHBondContact OD1-N 3.48Å; D58-S60 PolarHBondContact OD1-OG 3.1Å; D58-S60 PolarHBondContact OD2-OG 2.88Å; D58-T63 WeakPolarHBondContact OD2-CB 3.27Å; D58-T63 PolarHBondContact OD2-OG1 3.27Å; D58-G64 CarbonylContact O-C 3.41Å; D58-G64 WeakPolarHBondContact O-CA 3.41Å; D58-W65 PolarHBondContact O-N 3.28Å; D58-W65 PolarHBondContact O-NE1 3.45Å
59G98.3Very high98.4Very high8 Ų846 Ų468%0.08224%0.244CC..  trans-91.16.5173.300000114.9Q57 T66Q57-G59 PolarHBondContact O-N 3.25Å; G59-T66 WeakPolarHBondContact O-CB 3.2Å; G59-T66 PolarHBondContact O-N 3.34Å; G59-T66 PolarHBondContact O-OG1 3.28Å
60S98.8Very high98.4Very high16 Ų1638.7 Ų38.711%0.11222%0.217CC..  trans-66.4158.5-171.771.10000113.4D58 Y62 T63 G64 T66 G67 L107D58-S60 WeakPolarHBondContact OD1-CB 3.34Å; D58-S60 PolarHBondContact OD1-N 3.48Å; D58-S60 PolarHBondContact OD1-OG 3.1Å; D58-S60 PolarHBondContact OD2-OG 2.88Å; S60-Y62 VanDerWaalsContact C-N 3.34Å; S60-T63 PolarHBondContact OG-N 3.3Å; S60-T63 PolarHBondContact OG-OG1 3.23Å; S60-T63 VanDerWaalsContact OG-OG1 3.11Å; S60-G64 CarbonylContact O-C 3.24Å; S60-G64 WeakPolarHBondContact O-CA 3.4Å; S60-G64 PolarHBondContact O-N 2.91Å; S60-G64 VanDerWaalsContact O-N 3.12Å; S60-G64 PolarHBondContact OG-N 3.16Å; S60-G64 VanDerWaalsContact OG-N 3.1Å; S60-T66 WeakPolarHBondContact O-CB 3.41Å; S60-T66 PolarHBondContact O-N 3.42Å; S60-G67 PolarHBondContact O-N 3.05Å; S60-L107 WeakPolarHBondContact CB-O 3.35Å
61G98.8Very high98.4Very high0 Ų038.2 Ų38.20%021%0.212CC..SBendtrans-72.8-29.3169.700000112.6G67 L107G61-G67 VanDerWaalsContact O-CA 3.23Å; G61-G67 WeakPolarHBondContact O-CA 3.32Å; G61-L107 CarbonylContact C-O 3.31Å; G61-L107 WeakPolarHBondContact CA-O 3.31Å; G61-L107 PolarHBondContact N-O 3.33Å
62Y98.9Very high98.5Very high29 Ų2938 Ų3811%0.11421%0.211CC..SBendtrans-74.6-55.9-176.2-170.1-100.8000111.1S60 L107 L152 C322 F373 E374S60-Y62 VanDerWaalsContact C-N 3.34Å; Y62-L107 WeakPolarHBondContact CB-O 3.4Å; Y62-L107 PolarHBondContact N-O 3.22Å; Y62-L152 HydrophobicContact CD2-CD1 4.45Å; Y62-L152 HydrophobicContact CD2-CD2 4.28Å; Y62-L152 HydrophobicContact CE2-CD1 4.14Å; Y62-L152 HydrophobicContact CE2-CD2 4.43Å; Y62-C322 HydrophobicContact CE2-CB 4.16Å; Y62-C322 WeakPolarHBondContact OH-CB 3.39Å; Y62-C322 PolarHBondContact OH-SG 3.17Å; Y62-F373 HydrophobicContact CD1-CB 4.41Å; Y62-F373 HydrophobicContact CD2-CB 3.35Å; Y62-F373 AromaticContact CD2-CD1 3.62Å; Y62-F373 HydrophobicContact CD2-CD1 3.62Å; Y62-F373 HydrophobicContact CD2-CD2 4.08Å; Y62-F373 HydrophobicContact CD2-CE1 4.46Å; Y62-F373 AromaticContact CD2-CG 3.38Å; Y62-F373 HydrophobicContact CD2-CG 3.38Å; Y62-F373 HydrophobicContact CE1-CB 4.35Å; Y62-F373 HydrophobicContact CE2-CB 3.34Å; Y62-F373 AromaticContact CE2-CD1 3.52Å; Y62-F373 HydrophobicContact CE2-CD1 3.52Å; Y62-F373 AromaticContact CE2-CG 3.61Å; Y62-F373 HydrophobicContact CE2-CG 3.61Å; Y62-F373 HydrophobicContact CG-CB 3.89Å; Y62-F373 HydrophobicContact CG-CG 4.22Å; Y62-F373 WeakPolarHBondContact O-CB 3.29Å; Y62-F373 PolarHBondContact O-N 2.92Å; Y62-E374 HydrophobicContact CE1-CG 4.04Å
63T98.8Very high98.5Very high35 Ų3529.9 Ų29.922%0.21518%0.176CC..SBendtrans-118.4-11.3-173.244.10000115.3D58 S60 T368 S371 E374D58-T63 WeakPolarHBondContact OD2-CB 3.27Å; D58-T63 PolarHBondContact OD2-OG1 3.27Å; S60-T63 PolarHBondContact OG-N 3.3Å; S60-T63 PolarHBondContact OG-OG1 3.23Å; S60-T63 VanDerWaalsContact OG-OG1 3.11Å; T63-T368 HydrophobicContact CG2-CG2 4.07Å; T63-T368 WeakPolarHBondContact CG2-OG1 3.32Å; T63-S371 VanDerWaalsContact O-CB 3.29Å; T63-S371 WeakPolarHBondContact O-CB 3.44Å; T63-E374 HydrophobicContact CG2-CG 4.2Å
64G98.8Very high98.6Very high5 Ų525.8 Ų25.85%0.05215%0.145CC..SBendtrans-114.8-162.3-166.400000116.7D58 S60 T66 G67 I68D58-G64 CarbonylContact O-C 3.41Å; D58-G64 WeakPolarHBondContact O-CA 3.41Å; S60-G64 CarbonylContact O-C 3.24Å; S60-G64 WeakPolarHBondContact O-CA 3.4Å; S60-G64 PolarHBondContact O-N 2.91Å; S60-G64 VanDerWaalsContact O-N 3.12Å; S60-G64 PolarHBondContact OG-N 3.16Å; S60-G64 VanDerWaalsContact OG-N 3.1Å; G64-T66 VanDerWaalsContact C-N 3.31Å; G64-T66 PolarHBondContact O-N 2.81Å; G64-G67 PolarHBondContact O-N 3.21Å; G64-I68 PolarHBondContact O-N 3.21Å
65W98.9Very high98.6Very high11 Ų1124 Ų244%0.04213%0.13CC..Hα-helixtrans-61.1-32.9-172.9-55.5118000114.4L51 A54 D55 P56 D58 G67 I68 A69 Y91 Q94L51-W65 HydrophobicContact CB-CZ3 4.27Å; L51-W65 HydrophobicContact CD2-CZ3 4.08Å; L51-W65 WeakPolarHBondContact O-CH2 3.35Å; A54-W65 HydrophobicContact CB-CH2 3.75Å; A54-W65 HydrophobicContact CB-CZ2 4.15Å; A54-W65 HydrophobicContact CB-CZ3 4.46Å; D55-W65 WeakPolarHBondContact O-CZ2 3.12Å; D55-W65 PolarHBondContact O-NE1 2.84Å; P56-W65 PolarHBondContact O-NE1 2.9Å; D58-W65 PolarHBondContact O-N 3.28Å; D58-W65 PolarHBondContact O-NE1 3.45Å; W65-G67 VanDerWaalsContact C-N 3.3Å; W65-G67 PolarHBondContact O-N 2.88Å; W65-I68 PolarHBondContact O-N 3.13Å; W65-A69 PolarHBondContact O-N 3.23Å; W65-Y91 AromaticContact CE3-CD1 3.61Å; W65-Y91 HydrophobicContact CE3-CD1 3.61Å; W65-Y91 AromaticContact CE3-CE1 3.7Å; W65-Y91 HydrophobicContact CE3-CE1 3.7Å; W65-Y91 HydrophobicContact CZ3-CD1 4.17Å; W65-Y91 AromaticContact CZ3-CE1 3.78Å; W65-Y91 HydrophobicContact CZ3-CE1 3.78Å; W65-Q94 HydrophobicContact CB-CB 4.44Å; W65-Q94 HydrophobicContact CD2-CG 4.02Å; W65-Q94 VanDerWaalsContact CE2-CD 3.48Å; W65-Q94 HydrophobicContact CG-CB 4.21Å; W65-Q94 HydrophobicContact CG-CG 3.82Å
66T98.9Very high98.7Very high0 Ų022.5 Ų22.50%012%0.118CC..Hα-helixtrans-64.1-38.5176.2-640000110.9G59 S60 G64 I68 A69 V70 S95 P113 V116G59-T66 WeakPolarHBondContact O-CB 3.2Å; G59-T66 PolarHBondContact O-N 3.34Å; G59-T66 PolarHBondContact O-OG1 3.28Å; S60-T66 WeakPolarHBondContact O-CB 3.41Å; S60-T66 PolarHBondContact O-N 3.42Å; G64-T66 VanDerWaalsContact C-N 3.31Å; G64-T66 PolarHBondContact O-N 2.81Å; T66-I68 VanDerWaalsContact C-N 3.28Å; T66-I68 PolarHBondContact O-N 2.98Å; T66-A69 WeakPolarHBondContact O-CB 3.28Å; T66-A69 PolarHBondContact O-N 3.42Å; T66-V70 WeakPolarHBondContact O-CG2 3.4Å; T66-V70 PolarHBondContact O-N 3.23Å; T66-S95 WeakPolarHBondContact OG1-CB 3.43Å; T66-S95 PolarHBondContact OG1-OG 2.88Å; T66-P113 WeakPolarHBondContact OG1-CA 3.21Å; T66-P113 WeakPolarHBondContact OG1-CD 3.32Å; T66-P113 VanDerWaalsContact OG1-CG 3.3Å; T66-P113 WeakPolarHBondContact OG1-CG 3.46Å; T66-V116 HydrophobicContact CG2-CB 4.16Å; T66-V116 HydrophobicContact CG2-CG2 3.67Å
67G98.9Very high98.7Very high0 Ų022.7 Ų22.70%011%0.114CC..Hα-helixtrans-61.7-37.6176.900000112.4S60 G61 G64 W65 V70 L71S60-G67 PolarHBondContact O-N 3.05Å; G61-G67 VanDerWaalsContact O-CA 3.23Å; G61-G67 WeakPolarHBondContact O-CA 3.32Å; G64-G67 PolarHBondContact O-N 3.21Å; W65-G67 VanDerWaalsContact C-N 3.3Å; W65-G67 PolarHBondContact O-N 2.88Å; G67-V70 WeakPolarHBondContact O-CB 3.23Å; G67-V70 PolarHBondContact O-N 3.43Å; G67-L71 PolarHBondContact O-N 3.3Å; G67-L71 VanDerWaalsContact O-N 3.12Å
68I98.9Very high98.7Very high1 Ų118.4 Ų18.41%0.00510%0.097CC..Hα-helixtrans-70.2-40.2175.9-49.6-54000111.2M47 L51 G64 W65 T66 V70 L71 Y72 Y91 F370 A377M47-I68 HydrophobicContact CE-CG2 4.29Å; L51-I68 HydrophobicContact CD1-CD1 4.14Å; L51-I68 HydrophobicContact CD1-CG1 4.07Å; L51-I68 HydrophobicContact CD1-CG2 3.8Å; L51-I68 HydrophobicContact CD2-CD1 3.98Å; L51-I68 HydrophobicContact CD2-CG1 4.01Å; G64-I68 PolarHBondContact O-N 3.21Å; W65-I68 PolarHBondContact O-N 3.13Å; T66-I68 VanDerWaalsContact C-N 3.28Å; T66-I68 PolarHBondContact O-N 2.98Å; I68-V70 VanDerWaalsContact C-N 3.31Å; I68-V70 PolarHBondContact O-N 2.7Å; I68-L71 WeakPolarHBondContact O-CB 3.45Å; I68-L71 PolarHBondContact O-N 2.91Å; I68-Y72 HydrophobicContact CG2-CD2 3.83Å; I68-Y72 HydrophobicContact CG2-CE2 3.79Å; I68-Y72 WeakPolarHBondContact O-CD2 3.26Å; I68-Y72 PolarHBondContact O-N 3.17Å; I68-Y91 HydrophobicContact CB-CD1 4.32Å; I68-Y91 HydrophobicContact CB-CD2 4.22Å; I68-Y91 HydrophobicContact CB-CE2 4.48Å; I68-Y91 HydrophobicContact CB-CG 4.13Å; I68-Y91 HydrophobicContact CG2-CD1 4.17Å; I68-Y91 HydrophobicContact CG2-CD2 3.52Å; I68-Y91 HydrophobicContact CG2-CE1 4.09Å; I68-Y91 HydrophobicContact CG2-CE2 3.41Å; I68-Y91 VanDerWaalsContact CG2-CE2 3.41Å; I68-Y91 HydrophobicContact CG2-CG 3.9Å; I68-F370 WeakPolarHBondContact CD1-O 3.35Å; I68-A377 HydrophobicContact CD1-CB 3.73Å
69A98.9Very high98.7Very high0 Ų019.8 Ų19.80%010%0.102CC..Hα-helixtrans-60.5-39.9173.400000112.3W65 T66 Y72 L73 V92 V116W65-A69 PolarHBondContact O-N 3.23Å; T66-A69 WeakPolarHBondContact O-CB 3.28Å; T66-A69 PolarHBondContact O-N 3.42Å; A69-Y72 PolarHBondContact O-N 3.4Å; A69-L73 WeakPolarHBondContact O-CG 3.46Å; A69-L73 PolarHBondContact O-N 2.86Å; A69-V92 HydrophobicContact CB-CG2 3.79Å; A69-V116 HydrophobicContact CB-CG1 3.87Å
70V98.9Very high98.7Very high9 Ų921.7 Ų21.76%0.05512%0.122CC..Hα-helixtrans-60.4-44.8174.21690000111.2T66 G67 I68 L73 H74 F106 V116 L372 Y381T66-V70 WeakPolarHBondContact O-CG2 3.4Å; T66-V70 PolarHBondContact O-N 3.23Å; G67-V70 WeakPolarHBondContact O-CB 3.23Å; G67-V70 PolarHBondContact O-N 3.43Å; I68-V70 VanDerWaalsContact C-N 3.31Å; I68-V70 PolarHBondContact O-N 2.7Å; V70-L73 PolarHBondContact O-N 3.47Å; V70-H74 PolarHBondContact O-N 2.9Å; V70-H74 VanDerWaalsContact O-N 3.07Å; V70-F106 HydrophobicContact CG2-CE1 4.02Å; V70-F106 HydrophobicContact CG2-CZ 3.75Å; V70-V116 HydrophobicContact CG2-CG1 4.4Å; V70-V116 HydrophobicContact CG2-CG2 3.58Å; V70-L372 HydrophobicContact CB-CD2 4.24Å; V70-L372 HydrophobicContact CG1-CD2 4.09Å; V70-Y381 HydrophobicContact CG1-CE2 4.04Å
71L98.9Very high98.7Very high0 Ų024.4 Ų24.40%014%0.135CC..Hα-helixtrans-58-50.5174.6170.764000111.3L44 M47 G67 I68 L73 H74 L75 A377 I380 Y381L44-L71 HydrophobicContact CD2-CD2 4.26Å; M47-L71 HydrophobicContact CE-CD2 3.84Å; M47-L71 HydrophobicContact SD-CD2 3.67Å; G67-L71 PolarHBondContact O-N 3.3Å; G67-L71 VanDerWaalsContact O-N 3.12Å; I68-L71 WeakPolarHBondContact O-CB 3.45Å; I68-L71 PolarHBondContact O-N 2.91Å; L71-L73 PolarHBondContact O-N 3.04Å; L71-H74 WeakPolarHBondContact O-CB 3.45Å; L71-H74 PolarHBondContact O-N 3.43Å; L71-H74 VanDerWaalsContact O-N 3.15Å; L71-L75 HydrophobicContact CD1-CD1 3.94Å; L71-L75 HydrophobicContact CD1-CD2 4.38Å; L71-L75 HydrophobicContact CD1-CG 3.93Å; L71-L75 HydrophobicContact CD2-CD1 4.45Å; L71-L75 HydrophobicContact CG-CD1 3.86Å; L71-L75 HydrophobicContact CG-CG 4.28Å; L71-L75 WeakPolarHBondContact O-CG 3.42Å; L71-L75 PolarHBondContact O-N 3.15Å; L71-A377 HydrophobicContact CD2-CB 3.71Å; L71-I380 HydrophobicContact CD1-CB 4.3Å; L71-I380 HydrophobicContact CD1-CG2 3.94Å; L71-I380 HydrophobicContact CD2-CB 4.32Å; L71-I380 HydrophobicContact CD2-CG2 4.27Å; L71-Y381 HydrophobicContact CD1-CD2 4.08Å; L71-Y381 HydrophobicContact CD1-CG 4.45Å
72Y98.9Very high98.6Very high7 Ų728.9 Ų28.93%0.02716%0.164CC..Hα-helixtrans-67.7-33-176.8-85-68.1000113.9L44 M47 E48 I68 A69 H74 L75 Y76 Y84 M87 Y91L44-Y72 HydrophobicContact CD2-CE1 4.3Å; M47-Y72 HydrophobicContact CE-CE2 3.81Å; E48-Y72 WeakPolarHBondContact CG-OH 3.37Å; E48-Y72 VanDerWaalsContact OE1-CE2 3.27Å; E48-Y72 WeakPolarHBondContact OE1-CE2 3.37Å; E48-Y72 VanDerWaalsContact OE1-CZ 3.25Å; E48-Y72 PolarHBondContact OE1-OH 2.91Å; I68-Y72 HydrophobicContact CG2-CD2 3.83Å; I68-Y72 HydrophobicContact CG2-CE2 3.79Å; I68-Y72 WeakPolarHBondContact O-CD2 3.26Å; I68-Y72 PolarHBondContact O-N 3.17Å; A69-Y72 PolarHBondContact O-N 3.4Å; Y72-H74 VanDerWaalsContact C-N 3.34Å; Y72-L75 HydrophobicContact CD1-CD1 4.01Å; Y72-L75 HydrophobicContact CE1-CD1 4.1Å; Y72-L75 PolarHBondContact O-N 3.43Å; Y72-Y76 WeakPolarHBondContact O-CB 3.47Å; Y72-Y76 PolarHBondContact O-N 2.95Å; Y72-Y84 AromaticContact CD1-CD1 3.61Å; Y72-Y84 HydrophobicContact CD1-CD1 3.61Å; Y72-Y84 HydrophobicContact CD1-CE1 4.46Å; Y72-Y84 HydrophobicContact CD1-CG 4.16Å; Y72-Y84 AromaticContact CE1-CD1 3.6Å; Y72-Y84 HydrophobicContact CE1-CD1 3.6Å; Y72-Y84 HydrophobicContact CE1-CE1 4.08Å; Y72-M87 HydrophobicContact CD1-CB 3.67Å; Y72-M87 HydrophobicContact CD1-CG 4.32Å; Y72-M87 HydrophobicContact CD2-CB 4.03Å; Y72-M87 HydrophobicContact CE1-CB 3.88Å; Y72-M87 HydrophobicContact CE1-CG 4.1Å; Y72-M87 HydrophobicContact CE2-CB 4.23Å; Y72-M87 HydrophobicContact CG-CB 3.77Å; Y72-Y91 AromaticContact CD2-CD2 3.79Å; Y72-Y91 HydrophobicContact CD2-CD2 3.79Å; Y72-Y91 AromaticContact CD2-CE2 3.73Å; Y72-Y91 HydrophobicContact CD2-CE2 3.73Å; Y72-Y91 HydrophobicContact CE2-CD2 4.1Å; Y72-Y91 AromaticContact CE2-CE2 3.54Å; Y72-Y91 HydrophobicContact CE2-CE2 3.54Å
73L98.9Very high98.6Very high9 Ų929.8 Ų29.85%0.04718%0.177CC..Hα-helixtrans-62.9-42.3170.1-78.7171.1000111.7A69 V70 L71 Y76 D77 L85 A88 V116 L120 K123A69-L73 WeakPolarHBondContact O-CG 3.46Å; A69-L73 PolarHBondContact O-N 2.86Å; V70-L73 PolarHBondContact O-N 3.47Å; L71-L73 PolarHBondContact O-N 3.04Å; L73-Y76 WeakPolarHBondContact O-CB 3.36Å; L73-Y76 PolarHBondContact O-N 3.48Å; L73-D77 PolarHBondContact O-N 3.01Å; L73-D77 VanDerWaalsContact O-N 3.08Å; L73-L85 HydrophobicContact CD2-CD1 3.88Å; L73-A88 HydrophobicContact CD2-CB 4.3Å; L73-A88 HydrophobicContact CG-CB 4Å; L73-V116 HydrophobicContact CD1-CG1 3.74Å; L73-L120 HydrophobicContact CD1-CB 4.49Å; L73-L120 HydrophobicContact CD2-CB 4.42Å; L73-L120 HydrophobicContact CD2-CD1 4.13Å; L73-L120 HydrophobicContact CG-CD1 4.46Å; L73-K123 HydrophobicContact CD2-CD 3.99Å
74H98.9Very high98.6Very high19 Ų1929.6 Ų29.69%0.08817%0.173CC..Hα-helixtrans-65.4-44.1176.2174.767.1000112.1V70 L71 Y72 Y76 D77 V78 Y381 D385V70-H74 PolarHBondContact O-N 2.9Å; V70-H74 VanDerWaalsContact O-N 3.07Å; L71-H74 WeakPolarHBondContact O-CB 3.45Å; L71-H74 PolarHBondContact O-N 3.43Å; L71-H74 VanDerWaalsContact O-N 3.15Å; Y72-H74 VanDerWaalsContact C-N 3.34Å; H74-Y76 VanDerWaalsContact C-N 3.28Å; H74-Y76 PolarHBondContact O-N 3.31Å; H74-D77 PolarHBondContact O-N 3.1Å; H74-D77 VanDerWaalsContact O-N 3.1Å; H74-V78 WeakPolarHBondContact O-CG2 3.42Å; H74-V78 PolarHBondContact O-N 3.42Å; H74-Y381 HydrophobicContact CB-CD2 4.08Å; H74-Y381 HydrophobicContact CB-CE2 3.36Å; H74-Y381 AromaticContact CD2-CD2 3.92Å; H74-Y381 AromaticContact CD2-CE1 3.99Å; H74-Y381 AromaticContact CD2-CE2 3.76Å; H74-Y381 AromaticContact CD2-CZ 3.77Å; H74-Y381 AromaticContact CG-CE2 3.49Å; H74-Y381 VanDerWaalsContact CG-CE2 3.49Å; H74-Y381 AromaticContact CG-CZ 3.46Å; H74-Y381 VanDerWaalsContact CG-CZ 3.46Å; H74-Y381 AromaticContact ND1-CZ 3.75Å; H74-D385 IonicContact CE1-OD1 3.1Å; H74-D385 PolarHBondContact CE1-OD1 2.86Å; H74-D385 PolarHBondContact NE2-N 2.89Å; H74-D385 IonicContact NE2-OD1 3.46Å
75L98.9Very high98.6Very high0 Ų030.4 Ų30.40%018%0.176CC..Hα-helixtrans-60.7-38.3175.3-68.3171.8000112I40 L44 L71 Y72 V78 F79 Y84 I380 A384I40-L75 HydrophobicContact CG2-CD2 4.24Å; L44-L75 HydrophobicContact CD1-CD1 3.89Å; L44-L75 HydrophobicContact CD2-CD1 3.76Å; L44-L75 HydrophobicContact CG-CD1 4.43Å; L71-L75 HydrophobicContact CD1-CD1 3.94Å; L71-L75 HydrophobicContact CD1-CD2 4.38Å; L71-L75 HydrophobicContact CD1-CG 3.93Å; L71-L75 HydrophobicContact CD2-CD1 4.45Å; L71-L75 HydrophobicContact CG-CD1 3.86Å; L71-L75 HydrophobicContact CG-CG 4.28Å; L71-L75 WeakPolarHBondContact O-CG 3.42Å; L71-L75 PolarHBondContact O-N 3.15Å; Y72-L75 HydrophobicContact CD1-CD1 4.01Å; Y72-L75 HydrophobicContact CE1-CD1 4.1Å; Y72-L75 PolarHBondContact O-N 3.43Å; L75-V78 PolarHBondContact O-N 3.26Å; L75-F79 HydrophobicContact CB-CD2 4.35Å; L75-F79 HydrophobicContact CD2-CD2 3.99Å; L75-F79 HydrophobicContact CD2-CE2 3.64Å; L75-F79 WeakPolarHBondContact O-CB 3.29Å; L75-F79 WeakPolarHBondContact O-CD2 3.06Å; L75-F79 PolarHBondContact O-N 3.1Å; L75-Y84 HydrophobicContact CB-CD1 4.44Å; L75-Y84 HydrophobicContact CB-CD2 3.72Å; L75-Y84 HydrophobicContact CB-CE2 4.07Å; L75-Y84 HydrophobicContact CB-CG 3.93Å; L75-Y84 HydrophobicContact CD1-CE1 4.48Å; L75-I380 HydrophobicContact CD2-CG2 4.44Å; L75-A384 HydrophobicContact CD2-CB 3.75Å
76Y98.7Very high98.6Very high66 Ų6637.7 Ų37.726%0.25921%0.208SC..Hα-helixtrans-60.4-45.4172.6173.9-108000111.7Y72 L73 H74 V78 G80 D81 L85 K123Y72-Y76 WeakPolarHBondContact O-CB 3.47Å; Y72-Y76 PolarHBondContact O-N 2.95Å; L73-Y76 WeakPolarHBondContact O-CB 3.36Å; L73-Y76 PolarHBondContact O-N 3.48Å; H74-Y76 VanDerWaalsContact C-N 3.28Å; H74-Y76 PolarHBondContact O-N 3.31Å; Y76-V78 VanDerWaalsContact C-N 3.33Å; Y76-V78 PolarHBondContact O-N 3.07Å; Y76-G80 VanDerWaalsContact O-CA 3.22Å; Y76-G80 WeakPolarHBondContact O-CA 3.23Å; Y76-G80 PolarHBondContact O-N 3.31Å; Y76-D81 WeakPolarHBondContact CD2-O 3.49Å; Y76-L85 HydrophobicContact CD1-CB 4.5Å; Y76-L85 HydrophobicContact CD1-CD1 4.39Å; Y76-L85 HydrophobicContact CD2-CB 3.84Å; Y76-L85 HydrophobicContact CE1-CD2 4.36Å; Y76-L85 HydrophobicContact CE2-CB 4.13Å; Y76-L85 HydrophobicContact CE2-CD2 4.42Å; Y76-L85 HydrophobicContact CG-CB 4.03Å; Y76-K123 HydrophobicContact CD1-CD 4.48Å; Y76-K123 HydrophobicContact CE1-CD 4.46Å
77D97.9Very high98.6Very high86 Ų8640.9 Ų40.946%0.4622%0.224SC..Hα-helixtrans-68-31.1-179.8-71.3-16.5000112.8L73 H74 K123L73-D77 PolarHBondContact O-N 3.01Å; L73-D77 VanDerWaalsContact O-N 3.08Å; H74-D77 PolarHBondContact O-N 3.1Å; H74-D77 VanDerWaalsContact O-N 3.1Å; D77-K123 IonicContact OD1-NZ 3.42Å; D77-K123 PolarHBondContact OD1-NZ 3.15Å; D77-K123 IonicContact OD2-NZ 2.83Å; D77-K123 PolarHBondContact OD2-NZ 3.24Å
78V98Very high98.6Very high48 Ų4840.9 Ų40.929%0.29122%0.224SC..Hα-helixtrans-80.2-45.7178.1173.80000112.4H74 L75 Y76 L387H74-V78 WeakPolarHBondContact O-CG2 3.42Å; H74-V78 PolarHBondContact O-N 3.42Å; L75-V78 PolarHBondContact O-N 3.26Å; Y76-V78 VanDerWaalsContact C-N 3.33Å; Y76-V78 PolarHBondContact O-N 3.07Å; V78-L387 HydrophobicContact CG1-CD1 3.92Å
79F98.3Very high98.6Very high66 Ų6643.2 Ų43.229%0.28924%0.235SC..Hα-helixtrans-102.2-17.3-170.7-66-70.4000114.4T37 I40 L75 D81 Y84 A384 L387T37-F79 HydrophobicContact CG2-CE1 4Å; T37-F79 HydrophobicContact CG2-CZ 4.43Å; I40-F79 HydrophobicContact CD1-CZ 4.08Å; I40-F79 HydrophobicContact CG2-CE2 4.3Å; I40-F79 HydrophobicContact CG2-CZ 4.43Å; L75-F79 HydrophobicContact CB-CD2 4.35Å; L75-F79 HydrophobicContact CD2-CD2 3.99Å; L75-F79 HydrophobicContact CD2-CE2 3.64Å; L75-F79 WeakPolarHBondContact O-CB 3.29Å; L75-F79 WeakPolarHBondContact O-CD2 3.06Å; L75-F79 PolarHBondContact O-N 3.1Å; F79-D81 PolarHBondContact O-N 3.43Å; F79-Y84 HydrophobicContact CB-CD2 4.32Å; F79-Y84 HydrophobicContact CB-CE2 3.9Å; F79-Y84 AromaticContact CD2-CE2 3.85Å; F79-Y84 HydrophobicContact CD2-CE2 3.85Å; F79-Y84 HydrophobicContact CG-CE2 4.15Å; F79-A384 HydrophobicContact CE2-CB 4.34Å; F79-L387 HydrophobicContact CE1-CD1 3.77Å; F79-L387 HydrophobicContact CE2-CD1 4.47Å; F79-L387 HydrophobicContact CZ-CD1 3.52Å
80G98.1Very high98.6Very high49 Ų4945 Ų4551%0.50525%0.253SS..  trans68.97.5-17800000115.1Y76 P82Y76-G80 VanDerWaalsContact O-CA 3.22Å; Y76-G80 WeakPolarHBondContact O-CA 3.23Å; Y76-G80 PolarHBondContact O-N 3.31Å; G80-P82 VanDerWaalsContact O-CD 3.27Å; G80-P82 WeakPolarHBondContact O-CD 3.46Å
81D98Very high98.6Very high72 Ų7245.5 Ų45.539%0.38525%0.254SS..  trans-77.4114-178.7-174.8-15.3000111Y76 F79 A83 Y84Y76-D81 WeakPolarHBondContact CD2-O 3.49Å; F79-D81 PolarHBondContact O-N 3.43Å; D81-A83 PolarHBondContact O-N 3.24Å; D81-A83 WeakPolarHBondContact OD1-CB 2.91Å; D81-A83 PolarHBondContact OD1-N 3.09Å; D81-Y84 HydrophobicContact CB-CD2 3.78Å; D81-Y84 HydrophobicContact CB-CE2 3.94Å; D81-Y84 HydrophobicContact CB-CG 4.48Å; D81-Y84 WeakPolarHBondContact O-CB 3.46Å; D81-Y84 PolarHBondContact O-N 3.31Å
82P97.9Very high98.6Very high94 Ų9445.5 Ų45.561%0.6125%0.254SS*.Hα-helixtrans-59.8-20.4-179.4-22.534.7000114.3G80 Y84 L85 K86G80-P82 VanDerWaalsContact O-CD 3.27Å; G80-P82 WeakPolarHBondContact O-CD 3.46Å; P82-Y84 PolarHBondContact O-N 3.1Å; P82-L85 PolarHBondContact O-N 3.32Å; P82-K86 PolarHBondContact O-N 3.49Å; P82-K86 VanDerWaalsContact O-N 3.12Å
83A98.4Very high98.5Very high48 Ų4850.9 Ų50.940%0.39728%0.278SS..Hα-helixtrans-60.1-36.5173.900000111.4D81 K86 M87D81-A83 PolarHBondContact O-N 3.24Å; D81-A83 WeakPolarHBondContact OD1-CB 2.91Å; D81-A83 PolarHBondContact OD1-N 3.09Å; A83-K86 WeakPolarHBondContact O-CB 3.48Å; A83-K86 PolarHBondContact O-N 3.05Å; A83-M87 WeakPolarHBondContact O-CG 3.35Å; A83-M87 PolarHBondContact O-N 3.28Å
84Y98.8Very high98.5Very high32 Ų3253.5 Ų53.513%0.12529%0.29CS..Hα-helixtrans-66.6-39.7177.2-64.4-36.7000112.4L44 Y72 L75 F79 D81 P82 K86 M87 A88L44-Y84 HydrophobicContact CD1-CE1 4.29Å; Y72-Y84 AromaticContact CD1-CD1 3.61Å; Y72-Y84 HydrophobicContact CD1-CD1 3.61Å; Y72-Y84 HydrophobicContact CD1-CE1 4.46Å; Y72-Y84 HydrophobicContact CD1-CG 4.16Å; Y72-Y84 AromaticContact CE1-CD1 3.6Å; Y72-Y84 HydrophobicContact CE1-CD1 3.6Å; Y72-Y84 HydrophobicContact CE1-CE1 4.08Å; L75-Y84 HydrophobicContact CB-CD1 4.44Å; L75-Y84 HydrophobicContact CB-CD2 3.72Å; L75-Y84 HydrophobicContact CB-CE2 4.07Å; L75-Y84 HydrophobicContact CB-CG 3.93Å; L75-Y84 HydrophobicContact CD1-CE1 4.48Å; F79-Y84 HydrophobicContact CB-CD2 4.32Å; F79-Y84 HydrophobicContact CB-CE2 3.9Å; F79-Y84 AromaticContact CD2-CE2 3.85Å; F79-Y84 HydrophobicContact CD2-CE2 3.85Å; F79-Y84 HydrophobicContact CG-CE2 4.15Å; D81-Y84 HydrophobicContact CB-CD2 3.78Å; D81-Y84 HydrophobicContact CB-CE2 3.94Å; D81-Y84 HydrophobicContact CB-CG 4.48Å; D81-Y84 WeakPolarHBondContact O-CB 3.46Å; D81-Y84 PolarHBondContact O-N 3.31Å; P82-Y84 PolarHBondContact O-N 3.1Å; Y84-K86 VanDerWaalsContact C-N 3.29Å; Y84-K86 PolarHBondContact O-N 3.16Å; Y84-M87 PolarHBondContact O-N 3.48Å; Y84-A88 PolarHBondContact O-N 3.34Å
85L98.6Very high98.5Very high21 Ų2152.6 Ų52.611%0.1129%0.285CS..Hα-helixtrans-62.7-39174.1-173.263000111.5L73 Y76 P82 A88 H89 K123 M124L73-L85 HydrophobicContact CD2-CD1 3.88Å; Y76-L85 HydrophobicContact CD1-CB 4.5Å; Y76-L85 HydrophobicContact CD1-CD1 4.39Å; Y76-L85 HydrophobicContact CD2-CB 3.84Å; Y76-L85 HydrophobicContact CE1-CD2 4.36Å; Y76-L85 HydrophobicContact CE2-CB 4.13Å; Y76-L85 HydrophobicContact CE2-CD2 4.42Å; Y76-L85 HydrophobicContact CG-CB 4.03Å; P82-L85 PolarHBondContact O-N 3.32Å; L85-A88 PolarHBondContact O-N 3.49Å; L85-H89 PolarHBondContact O-N 2.87Å; L85-K123 HydrophobicContact CD1-CB 4.25Å; L85-K123 HydrophobicContact CD1-CD 4.4Å; L85-M124 HydrophobicContact CD2-CG 4.29Å; L85-M124 HydrophobicContact CG-CG 4.46Å
86K98.6Very high98.5Very high164 Ų16454.2 Ų54.271%0.71329%0.294SS*.Hα-helixtrans-64.2-40.9174.8-173.3-178.5179-177.90112.4P82 A83 Y84 H89 G90P82-K86 PolarHBondContact O-N 3.49Å; P82-K86 VanDerWaalsContact O-N 3.12Å; A83-K86 WeakPolarHBondContact O-CB 3.48Å; A83-K86 PolarHBondContact O-N 3.05Å; Y84-K86 VanDerWaalsContact C-N 3.29Å; Y84-K86 PolarHBondContact O-N 3.16Å; K86-H89 PolarHBondContact O-N 3.48Å; K86-G90 PolarHBondContact O-N 2.96Å
87M98.8Very high98.5Very high67 Ų6757.6 Ų57.633%0.3332%0.316SS..Hα-helixtrans-63.6-47.3175.1-68.3-58-68.600111.1E48 Y72 A83 Y84 H89 G90 Y91E48-M87 VanDerWaalsContact CD-CE 3.49Å; E48-M87 WeakPolarHBondContact OE1-CE 3.5Å; Y72-M87 HydrophobicContact CD1-CB 3.67Å; Y72-M87 HydrophobicContact CD1-CG 4.32Å; Y72-M87 HydrophobicContact CD2-CB 4.03Å; Y72-M87 HydrophobicContact CE1-CB 3.88Å; Y72-M87 HydrophobicContact CE1-CG 4.1Å; Y72-M87 HydrophobicContact CE2-CB 4.23Å; Y72-M87 HydrophobicContact CG-CB 3.77Å; A83-M87 WeakPolarHBondContact O-CG 3.35Å; A83-M87 PolarHBondContact O-N 3.28Å; Y84-M87 PolarHBondContact O-N 3.48Å; M87-H89 PolarHBondContact O-N 3.42Å; M87-G90 PolarHBondContact O-N 3.23Å; M87-Y91 HydrophobicContact CE-CE2 4.06Å; M87-Y91 VanDerWaalsContact O-CD2 3.26Å; M87-Y91 WeakPolarHBondContact O-CD2 3.16Å; M87-Y91 PolarHBondContact O-N 3.11Å; M87-Y91 VanDerWaalsContact O-N 3.15Å
88A98.9Very high98.5Very high0 Ų054.6 Ų54.60%030%0.302CS..Hα-helixtrans-55-41.8175.600000111.8L73 Y84 L85 G90 Y91 V92 L120L73-A88 HydrophobicContact CD2-CB 4.3Å; L73-A88 HydrophobicContact CG-CB 4Å; Y84-A88 PolarHBondContact O-N 3.34Å; L85-A88 PolarHBondContact O-N 3.49Å; A88-G90 VanDerWaalsContact C-N 3.34Å; A88-G90 PolarHBondContact O-N 3.44Å; A88-Y91 PolarHBondContact O-N 3.15Å; A88-V92 WeakPolarHBondContact O-CG2 3.49Å; A88-V92 PolarHBondContact O-N 3.44Å; A88-L120 HydrophobicContact CB-CD1 3.45Å; A88-L120 VanDerWaalsContact CB-CD1 3.45Å
89H98.8Very high98.5Very high51 Ų5154.6 Ų54.624%0.23630%0.3CS..Hα-helixtrans-62.7-39.9178.6175.1-117.2000112.1L85 K86 M87 V92 K93 L120 M124L85-H89 PolarHBondContact O-N 2.87Å; K86-H89 PolarHBondContact O-N 3.48Å; M87-H89 PolarHBondContact O-N 3.42Å; H89-V92 PolarHBondContact O-N 2.85Å; H89-K93 WeakPolarHBondContact O-CG 3.46Å; H89-K93 PolarHBondContact O-N 3.46Å; H89-L120 HydrophobicContact CB-CD1 4.15Å; H89-L120 HydrophobicContact CB-CD2 3.89Å; H89-L120 VanDerWaalsContact N-CD1 3.3Å; H89-M124 HydrophobicContact CB-SD 3.95Å
90G98.7Very high98.4Very high38 Ų3854.4 Ų54.439%0.39231%0.307SS..Hα-helixtrans-58.4-48.2173.500000112.3K86 M87 A88 K93 Q94K86-G90 PolarHBondContact O-N 2.96Å; M87-G90 PolarHBondContact O-N 3.23Å; A88-G90 VanDerWaalsContact C-N 3.34Å; A88-G90 PolarHBondContact O-N 3.44Å; G90-K93 PolarHBondContact O-N 3.02Å; G90-Q94 PolarHBondContact O-N 3.02Å; G90-Q94 VanDerWaalsContact O-N 3.1Å
91Y98.9Very high98.4Very high19 Ų1959.6 Ų59.68%0.07532%0.316CS..Hα-helixtrans-69.7-34.9-180-70.5-58.7000113.9E48 L51 W65 I68 Y72 M87 A88 Q94 S95E48-Y91 VanDerWaalsContact CD-OH 3.26Å; E48-Y91 PolarHBondContact OE1-OH 3.16Å; E48-Y91 PolarHBondContact OE2-OH 3.4Å; E48-Y91 VanDerWaalsContact OE2-OH 3.05Å; L51-Y91 HydrophobicContact CD1-CE1 4.36Å; L51-Y91 WeakPolarHBondContact CD1-OH 3.34Å; W65-Y91 AromaticContact CE3-CD1 3.61Å; W65-Y91 HydrophobicContact CE3-CD1 3.61Å; W65-Y91 AromaticContact CE3-CE1 3.7Å; W65-Y91 HydrophobicContact CE3-CE1 3.7Å; W65-Y91 HydrophobicContact CZ3-CD1 4.17Å; W65-Y91 AromaticContact CZ3-CE1 3.78Å; W65-Y91 HydrophobicContact CZ3-CE1 3.78Å; I68-Y91 HydrophobicContact CB-CD1 4.32Å; I68-Y91 HydrophobicContact CB-CD2 4.22Å; I68-Y91 HydrophobicContact CB-CE2 4.48Å; I68-Y91 HydrophobicContact CB-CG 4.13Å; I68-Y91 HydrophobicContact CG2-CD1 4.17Å; I68-Y91 HydrophobicContact CG2-CD2 3.52Å; I68-Y91 HydrophobicContact CG2-CE1 4.09Å; I68-Y91 HydrophobicContact CG2-CE2 3.41Å; I68-Y91 VanDerWaalsContact CG2-CE2 3.41Å; I68-Y91 HydrophobicContact CG2-CG 3.9Å; Y72-Y91 AromaticContact CD2-CD2 3.79Å; Y72-Y91 HydrophobicContact CD2-CD2 3.79Å; Y72-Y91 AromaticContact CD2-CE2 3.73Å; Y72-Y91 HydrophobicContact CD2-CE2 3.73Å; Y72-Y91 HydrophobicContact CE2-CD2 4.1Å; Y72-Y91 AromaticContact CE2-CE2 3.54Å; Y72-Y91 HydrophobicContact CE2-CE2 3.54Å; M87-Y91 HydrophobicContact CE-CE2 4.06Å; M87-Y91 VanDerWaalsContact O-CD2 3.26Å; M87-Y91 WeakPolarHBondContact O-CD2 3.16Å; M87-Y91 PolarHBondContact O-N 3.11Å; M87-Y91 VanDerWaalsContact O-N 3.15Å; A88-Y91 PolarHBondContact O-N 3.15Å; Y91-Q94 PolarHBondContact O-N 3.42Å; Y91-S95 PolarHBondContact O-N 3.02Å
92V98.8Very high98.3Very high0 Ų066.5 Ų66.50%034%0.336CS..Hα-helixtrans-60.6-46170.7162.40000111A69 A88 H89 Q94 S95 L96 V116 A117 L120A69-V92 HydrophobicContact CB-CG2 3.79Å; A88-V92 WeakPolarHBondContact O-CG2 3.49Å; A88-V92 PolarHBondContact O-N 3.44Å; H89-V92 PolarHBondContact O-N 2.85Å; V92-Q94 PolarHBondContact O-N 3.37Å; V92-S95 PolarHBondContact O-N 2.99Å; V92-S95 PolarHBondContact O-OG 3.16Å; V92-S95 VanDerWaalsContact O-OG 3.1Å; V92-L96 HydrophobicContact CG1-CD1 3.95Å; V92-L96 HydrophobicContact CG1-CG 4.37Å; V92-L96 VanDerWaalsContact O-CG 3.32Å; V92-L96 WeakPolarHBondContact O-CG 3.09Å; V92-L96 PolarHBondContact O-N 3.19Å; V92-V116 HydrophobicContact CG2-CG1 3.84Å; V92-A117 HydrophobicContact CG1-CB 3.56Å; V92-L120 HydrophobicContact CB-CD1 4.45Å; V92-L120 HydrophobicContact CG2-CB 4.26Å; V92-L120 HydrophobicContact CG2-CD1 3.83Å; V92-L120 HydrophobicContact CG2-CG 4.42Å
93K98.5Very high98.3Very high119 Ų11962.7 Ų62.752%0.51731%0.312SS..Hα-helixtrans-60.8-37.9177.5-74.3-174.969.7-179.80111.8H89 G90 N97H89-K93 WeakPolarHBondContact O-CG 3.46Å; H89-K93 PolarHBondContact O-N 3.46Å; G90-K93 PolarHBondContact O-N 3.02Å; K93-N97 PolarHBondContact O-ND2 3.13Å; K93-N97 VanDerWaalsContact O-ND2 3.14Å
94Q98.3Very high98.3Very high64 Ų6460.7 Ų60.730%0.29929%0.294SS..Hα-helixtrans-68.4-45.7177.1-166.5169.1-9.800111.5W65 G90 Y91 V92 L96 N97 C98W65-Q94 HydrophobicContact CB-CB 4.44Å; W65-Q94 HydrophobicContact CD2-CG 4.02Å; W65-Q94 VanDerWaalsContact CE2-CD 3.48Å; W65-Q94 HydrophobicContact CG-CB 4.21Å; W65-Q94 HydrophobicContact CG-CG 3.82Å; G90-Q94 PolarHBondContact O-N 3.02Å; G90-Q94 VanDerWaalsContact O-N 3.1Å; Y91-Q94 PolarHBondContact O-N 3.42Å; V92-Q94 PolarHBondContact O-N 3.37Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; Q94-L96 PolarHBondContact O-N 2.98Å; Q94-N97 WeakPolarHBondContact O-CB 3.32Å; Q94-N97 PolarHBondContact O-N 3.4Å; Q94-N97 VanDerWaalsContact O-N 3.16Å; Q94-C98 PolarHBondContact O-SG 3.07Å
95S98.6Very high98.3Very high0 Ų059.1 Ų59.10%029%0.288CS..Hα-helixtrans-65.9-33.3-178.875.60000113.6T66 Y91 V92 N97 C98T66-S95 WeakPolarHBondContact OG1-CB 3.43Å; T66-S95 PolarHBondContact OG1-OG 2.88Å; Y91-S95 PolarHBondContact O-N 3.02Å; V92-S95 PolarHBondContact O-N 2.99Å; V92-S95 PolarHBondContact O-OG 3.16Å; V92-S95 VanDerWaalsContact O-OG 3.1Å; S95-N97 PolarHBondContact O-N 2.88Å; S95-C98 WeakPolarHBondContact O-CB 3.42Å; S95-C98 PolarHBondContact O-N 3.03Å
96L98.8Very high98.3Very high35 Ų3558.2 Ų58.218%0.18328%0.284CS..G310 helixtrans-65.3-19.2176.2-72.6173.7000113.5V92 Q94 C98 L99 P113 L114 A117 Y121V92-L96 HydrophobicContact CG1-CD1 3.95Å; V92-L96 HydrophobicContact CG1-CG 4.37Å; V92-L96 VanDerWaalsContact O-CG 3.32Å; V92-L96 WeakPolarHBondContact O-CG 3.09Å; V92-L96 PolarHBondContact O-N 3.19Å; Q94-L96 VanDerWaalsContact C-N 3.34Å; Q94-L96 PolarHBondContact O-N 2.98Å; L96-C98 VanDerWaalsContact C-N 3.27Å; L96-L99 HydrophobicContact CD2-CD1 4.35Å; L96-L99 WeakPolarHBondContact O-CG 3.5Å; L96-P113 HydrophobicContact CD2-CB 4.15Å; L96-L114 HydrophobicContact CD2-CD2 4.36Å; L96-A117 HydrophobicContact CD1-CB 4.01Å; L96-A117 HydrophobicContact CD2-CB 4.15Å; L96-A117 HydrophobicContact CG-CB 4.36Å; L96-Y121 HydrophobicContact CD1-CE2 4.39Å
97N98.4Very high98.3Very high136 Ų13650.4 Ų50.473%0.72725%0.25SC*.G310 helixtrans-80.1-9.3173.2-62-40.2000113K93 Q94 S95K93-N97 PolarHBondContact O-ND2 3.13Å; K93-N97 VanDerWaalsContact O-ND2 3.14Å; Q94-N97 WeakPolarHBondContact O-CB 3.32Å; Q94-N97 PolarHBondContact O-N 3.4Å; Q94-N97 VanDerWaalsContact O-N 3.16Å; S95-N97 PolarHBondContact O-N 2.88Å
98C98.3Very high98.3Very high23 Ų2348.6 Ų48.616%0.15524%0.243CC..G310 helixtrans-1026.6-175-53.80000113.4Q57 Q94 S95 L96 S100Q57-C98 WeakPolarHBondContact O-CB 3.36Å; Q94-C98 PolarHBondContact O-SG 3.07Å; S95-C98 WeakPolarHBondContact O-CB 3.42Å; S95-C98 PolarHBondContact O-N 3.03Å; L96-C98 VanDerWaalsContact C-N 3.27Å; C98-S100 PolarHBondContact O-N 2.79Å
99L98.4Very high98.3Very high49 Ų4948.9 Ų48.926%0.25725%0.246SC..  trans-61.2124.9-178-63.6175.7000111L96 D110 P113L96-L99 HydrophobicContact CD2-CD1 4.35Å; L96-L99 WeakPolarHBondContact O-CG 3.5Å; L99-D110 HydrophobicContact CD2-CB 3.77Å; L99-P113 HydrophobicContact CD2-CB 3.8Å; L99-P113 HydrophobicContact CD2-CG 3.94Å
100S96.9Very high98.3Very high61 Ų6146.9 Ų46.943%0.42724%0.237SC..  trans-116.7-12.6-171.286.20000113.5C98 R102 D110C98-S100 PolarHBondContact O-N 2.79Å; S100-R102 PolarHBondContact O-N 3.39Å; S100-R102 WeakPolarHBondContact OG-CB 3.49Å; S100-R102 WeakPolarHBondContact OG-CG 3.37Å; S100-R102 PolarHBondContact OG-N 3.12Å; S100-D110 PolarHBondContact N-OD1 3.16Å
101K96.5Very high98.3Very high159 Ų15945.1 Ų45.169%0.69122%0.219SC*.SBendtrans54.431-173.2-55179.7179.7178.40113.8D110K101-D110 VanDerWaalsContact CA-OD2 3.3Å; K101-D110 WeakPolarHBondContact CA-OD2 3.43Å; K101-D110 PolarHBondContact N-OD1 3.1Å; K101-D110 PolarHBondContact N-OD2 3.33Å
102R95.6Very high98.3Very high216 Ų21644.2 Ų44.282%0.81522%0.215SC*.SBendtrans-105.3-20.8-178-67.1178.9-177.8175.30.1114.1S100S100-R102 PolarHBondContact O-N 3.39Å; S100-R102 WeakPolarHBondContact OG-CB 3.49Å; S100-R102 WeakPolarHBondContact OG-CG 3.37Å; S100-R102 PolarHBondContact OG-N 3.12Å
103S98.1Very high98.3Very high15 Ų1544.4 Ų44.411%0.10522%0.216CC..  trans-144.8152.7178.5-177.30000110.3C108 G109 D110S103-C108 WeakPolarHBondContact CB-O 3.31Å; S103-G109 WeakPolarHBondContact O-CA 3.32Å; S103-D110 PolarHBondContact O-N 3.02Å; S103-D110 VanDerWaalsContact O-N 3.1Å
104I98.6Very high98.3Very high5 Ų538.9 Ų38.93%0.02619%0.193CC..  trans-100.8-2.1-174.261.1169.6000113.5A111 L140 I143 A147 Y158I104-A111 WeakPolarHBondContact O-CB 3.42Å; I104-L140 HydrophobicContact CB-CD2 4.49Å; I104-L140 HydrophobicContact CG2-CG 4.38Å; I104-L140 WeakPolarHBondContact CG2-O 3.41Å; I104-I143 HydrophobicContact CG2-CD1 3.63Å; I104-I143 HydrophobicContact CG2-CG1 3.51Å; I104-A147 HydrophobicContact CD1-CB 3.73Å; I104-A147 HydrophobicContact CG1-CB 4.49Å; I104-Y158 HydrophobicContact CB-CD2 4.45Å; I104-Y158 HydrophobicContact CB-CG 4.49Å; I104-Y158 HydrophobicContact CD1-CG 4.47Å; I104-Y158 WeakPolarHBondContact O-CB 3.39Å; I104-Y158 WeakPolarHBondContact O-CD2 3.5Å
105T98.9Very high98.4Very high0 Ų035.9 Ų35.90%018%0.178CC..  trans-92.8157.6-167.261.20000113.6L107 C108 G109 G112 L152 G154T105-L107 VanDerWaalsContact C-N 3.27Å; T105-L107 PolarHBondContact O-N 3.33Å; T105-C108 PolarHBondContact OG1-N 3.45Å; T105-C108 VanDerWaalsContact OG1-N 3.08Å; T105-G109 CarbonylContact O-C 3.45Å; T105-G109 VanDerWaalsContact O-C 3.27Å; T105-G109 VanDerWaalsContact O-CA 3.26Å; T105-G109 WeakPolarHBondContact O-CA 3.42Å; T105-G109 PolarHBondContact O-N 3.49Å; T105-G109 PolarHBondContact OG1-N 3.01Å; T105-G112 PolarHBondContact O-N 3Å; T105-L152 WeakPolarHBondContact CB-O 3.15Å; T105-L152 WeakPolarHBondContact CG2-O 3.41Å; T105-L152 PolarHBondContact OG1-O 3.23Å; T105-G154 VanDerWaalsContact CG2-O 3.23Å; T105-G154 WeakPolarHBondContact CG2-O 3.45Å
106F98.9Very high98.4Very high2 Ų235.9 Ų35.91%0.00918%0.178CC..THydrogen-bonded Turntrans-59.5-40.1172.2-170.7-90000112.3V70 G112 A115 V116 G157 F160 A161 F164 A396V70-F106 HydrophobicContact CG2-CE1 4.02Å; V70-F106 HydrophobicContact CG2-CZ 3.75Å; F106-G112 WeakPolarHBondContact O-CA 3.46Å; F106-A115 HydrophobicContact CD2-CB 4.14Å; F106-A115 HydrophobicContact CE2-CB 4.08Å; F106-V116 HydrophobicContact CE2-CG2 3.64Å; F106-V116 HydrophobicContact CZ-CG2 3.48Å; F106-V116 VanDerWaalsContact CZ-CG2 3.48Å; F106-G157 PolarHBondContact N-O 3.39Å; F106-F160 HydrophobicContact CB-CD1 3.72Å; F106-F160 HydrophobicContact CB-CE1 4.42Å; F106-F160 AromaticContact CD1-CD1 3.89Å; F106-F160 HydrophobicContact CD1-CD1 3.89Å; F106-F160 AromaticContact CD1-CE1 3.77Å; F106-F160 HydrophobicContact CD1-CE1 3.77Å; F106-F160 AromaticContact CD2-CD1 3.85Å; F106-F160 HydrophobicContact CD2-CD1 3.85Å; F106-F160 AromaticContact CD2-CE1 3.88Å; F106-F160 HydrophobicContact CD2-CE1 3.88Å; F106-F160 HydrophobicContact CE1-CD1 4.47Å; F106-F160 AromaticContact CE1-CE1 3.89Å; F106-F160 HydrophobicContact CE1-CE1 3.89Å; F106-F160 HydrophobicContact CE2-CD1 4.41Å; F106-F160 AromaticContact CE2-CE1 3.97Å; F106-F160 HydrophobicContact CE2-CE1 3.97Å; F106-F160 AromaticContact CG-CD1 3.54Å; F106-F160 HydrophobicContact CG-CD1 3.54Å; F106-F160 AromaticContact CG-CE1 3.75Å; F106-F160 HydrophobicContact CG-CE1 3.75Å; F106-F160 AromaticContact CZ-CE1 3.98Å; F106-F160 HydrophobicContact CZ-CE1 3.98Å; F106-A161 HydrophobicContact CB-CB 4.05Å; F106-A161 HydrophobicContact CD2-CB 3.86Å; F106-A161 HydrophobicContact CG-CB 4.47Å; F106-F164 HydrophobicContact CE2-CB 4.46Å; F106-F164 AromaticContact CE2-CD1 3.95Å; F106-F164 HydrophobicContact CE2-CD1 3.95Å; F106-F164 HydrophobicContact CE2-CD2 4.4Å; F106-F164 HydrophobicContact CE2-CE1 4.29Å; F106-F164 HydrophobicContact CE2-CG 4.01Å; F106-F164 HydrophobicContact CZ-CD2 4.47Å; F106-F164 HydrophobicContact CZ-CE2 4.5Å; F106-A396 HydrophobicContact CD1-CB 3.75Å; F106-A396 HydrophobicContact CE1-CB 3.74Å
107L98.9Very high98.4Very high0 Ų034.2 Ų34.20%017%0.17CC..THydrogen-bonded Turntrans-81-42.5-172.3-74.5170.5000112.8S60 G61 Y62 T105 M151 L152 W275 F373 A396S60-L107 WeakPolarHBondContact CB-O 3.35Å; G61-L107 CarbonylContact C-O 3.31Å; G61-L107 WeakPolarHBondContact CA-O 3.31Å; G61-L107 PolarHBondContact N-O 3.33Å; Y62-L107 WeakPolarHBondContact CB-O 3.4Å; Y62-L107 PolarHBondContact N-O 3.22Å; T105-L107 VanDerWaalsContact C-N 3.27Å; T105-L107 PolarHBondContact O-N 3.33Å; L107-M151 HydrophobicContact CD1-CE 3.92Å; L107-M151 HydrophobicContact CD1-CG 4.04Å; L107-M151 HydrophobicContact CG-CE 4.49Å; L107-L152 HydrophobicContact CB-CD2 4.18Å; L107-L152 HydrophobicContact CD1-CD2 3.39Å; L107-L152 HydrophobicContact CG-CD2 4.4Å; L107-W275 HydrophobicContact CD1-CH2 4.43Å; L107-F373 HydrophobicContact CD1-CE1 4.3Å; L107-F373 HydrophobicContact CD1-CZ 4.13Å; L107-F373 HydrophobicContact CD2-CD2 3.77Å; L107-F373 HydrophobicContact CD2-CE1 4.18Å; L107-F373 HydrophobicContact CD2-CE2 3.21Å; L107-F373 HydrophobicContact CD2-CG 4.47Å; L107-F373 HydrophobicContact CD2-CZ 3.46Å; L107-F373 VanDerWaalsContact CD2-CZ 3.46Å; L107-F373 HydrophobicContact CG-CZ 4.45Å; L107-A396 HydrophobicContact CD2-CB 3.6Å; L107-A396 HydrophobicContact CG-CB 4.22Å
108C98.8Very high98.4Very high29 Ų2927.7 Ų27.720%0.19614%0.135CC..THydrogen-bonded Turntrans-126.39.5-169.6-55.80000113.8S103 T105 L152 Y153S103-C108 WeakPolarHBondContact CB-O 3.31Å; T105-C108 PolarHBondContact OG1-N 3.45Å; T105-C108 VanDerWaalsContact OG1-N 3.08Å; C108-L152 VanDerWaalsContact CB-O 3.28Å; C108-L152 WeakPolarHBondContact CB-O 3.23Å; C108-Y153 HydrophobicContact CB-CD1 3.9Å; C108-Y153 HydrophobicContact CB-CE1 3.44Å; C108-Y153 VanDerWaalsContact CB-CE1 3.44Å
109G98.6Very high98.4Very high6 Ų626.7 Ų26.76%0.06213%0.128CC..SBendtrans-137.4-174.7-175.900000114.3S103 T105 A111 G112 P113S103-G109 WeakPolarHBondContact O-CA 3.32Å; T105-G109 CarbonylContact O-C 3.45Å; T105-G109 VanDerWaalsContact O-C 3.27Å; T105-G109 VanDerWaalsContact O-CA 3.26Å; T105-G109 WeakPolarHBondContact O-CA 3.42Å; T105-G109 PolarHBondContact O-N 3.49Å; T105-G109 PolarHBondContact OG1-N 3.01Å; G109-A111 PolarHBondContact O-N 2.88Å; G109-G112 PolarHBondContact O-N 3.31Å; G109-P113 WeakPolarHBondContact O-CD 3.47Å
110D98.8Very high98.5Very high9 Ų924.3 Ų24.35%0.04812%0.116CC..THydrogen-bonded Turntrans-66.9-18.8-175-73.915.5000112.3L99 S100 K101 S103 G112 P113 L114 L140L99-D110 HydrophobicContact CD2-CB 3.77Å; S100-D110 PolarHBondContact N-OD1 3.16Å; K101-D110 VanDerWaalsContact CA-OD2 3.3Å; K101-D110 WeakPolarHBondContact CA-OD2 3.43Å; K101-D110 PolarHBondContact N-OD1 3.1Å; K101-D110 PolarHBondContact N-OD2 3.33Å; S103-D110 PolarHBondContact O-N 3.02Å; S103-D110 VanDerWaalsContact O-N 3.1Å; D110-G112 VanDerWaalsContact C-N 3.26Å; D110-G112 PolarHBondContact O-N 3.02Å; D110-P113 WeakPolarHBondContact O-CD 3.42Å; D110-L114 HydrophobicContact CB-CD1 4.45Å; D110-L114 WeakPolarHBondContact O-CB 3.24Å; D110-L114 WeakPolarHBondContact O-CD1 3.47Å; D110-L114 WeakPolarHBondContact O-CG 3.47Å; D110-L114 PolarHBondContact O-N 3.48Å; D110-L114 VanDerWaalsContact O-N 3.17Å; D110-L140 HydrophobicContact CB-CD1 3.75Å; D110-L140 HydrophobicContact CB-CD2 3.86Å; D110-L140 HydrophobicContact CB-CG 4.45Å
111A98.9Very high98.5Very high0 Ų023 Ų230%010%0.101CC..Hα-helixtrans-66.4-29.5178.300000112.7I104 G109 A115 L137 L140 Y158 A161I104-A111 WeakPolarHBondContact O-CB 3.42Å; G109-A111 PolarHBondContact O-N 2.88Å; A111-A115 WeakPolarHBondContact O-CB 3.29Å; A111-A115 PolarHBondContact O-N 3.3Å; A111-L137 HydrophobicContact CB-CD1 3.48Å; A111-L137 VanDerWaalsContact CB-CD1 3.48Å; A111-L140 HydrophobicContact CB-CD2 3.69Å; A111-L140 VanDerWaalsContact N-CD2 3.3Å; A111-Y158 HydrophobicContact CB-CD2 4.01Å; A111-A161 HydrophobicContact CB-CB 3.73Å
112G98.9Very high98.6Very high0 Ų018 Ų180%08%0.081CC..Hα-helixtrans-60.7-65.3175.200000111.7T105 F106 G109 D110 L114 A115 V116T105-G112 PolarHBondContact O-N 3Å; F106-G112 WeakPolarHBondContact O-CA 3.46Å; G109-G112 PolarHBondContact O-N 3.31Å; D110-G112 VanDerWaalsContact C-N 3.26Å; D110-G112 PolarHBondContact O-N 3.02Å; G112-L114 VanDerWaalsContact C-N 3.25Å; G112-L114 PolarHBondContact O-N 3.39Å; G112-A115 PolarHBondContact O-N 3.05Å; G112-V116 WeakPolarHBondContact O-CB 3.39Å; G112-V116 VanDerWaalsContact O-CG2 3.3Å; G112-V116 WeakPolarHBondContact O-CG2 3.34Å; G112-V116 PolarHBondContact O-N 3.38Å
113P98.9Very high98.8Very high4 Ų410.7 Ų10.73%0.0266%0.055CC..Hα-helixtrans-51.4-43.1176.8-25.529.5000113.1T66 L96 L99 G109 D110 A117T66-P113 WeakPolarHBondContact OG1-CA 3.21Å; T66-P113 WeakPolarHBondContact OG1-CD 3.32Å; T66-P113 VanDerWaalsContact OG1-CG 3.3Å; T66-P113 WeakPolarHBondContact OG1-CG 3.46Å; L96-P113 HydrophobicContact CD2-CB 4.15Å; L99-P113 HydrophobicContact CD2-CB 3.8Å; L99-P113 HydrophobicContact CD2-CG 3.94Å; G109-P113 WeakPolarHBondContact O-CD 3.47Å; D110-P113 WeakPolarHBondContact O-CD 3.42Å; P113-A117 WeakPolarHBondContact O-CB 3.21Å; P113-A117 PolarHBondContact O-N 3.12Å
114L98.9Very high98.8Very high4 Ų413.3 Ų13.32%0.0217%0.066CC..Hα-helixtrans-68.1-48.6-178-68.5171.3000112.9L96 D110 G112 A117 A118 C133 R136 L137L96-L114 HydrophobicContact CD2-CD2 4.36Å; D110-L114 HydrophobicContact CB-CD1 4.45Å; D110-L114 WeakPolarHBondContact O-CB 3.24Å; D110-L114 WeakPolarHBondContact O-CD1 3.47Å; D110-L114 WeakPolarHBondContact O-CG 3.47Å; D110-L114 PolarHBondContact O-N 3.48Å; D110-L114 VanDerWaalsContact O-N 3.17Å; G112-L114 VanDerWaalsContact C-N 3.25Å; G112-L114 PolarHBondContact O-N 3.39Å; L114-A117 PolarHBondContact O-N 2.93Å; L114-A118 WeakPolarHBondContact O-CB 3.35Å; L114-A118 PolarHBondContact O-N 3.31Å; L114-C133 WeakPolarHBondContact O-CB 3.45Å; L114-R136 HydrophobicContact CD1-CB 4.11Å; L114-R136 HydrophobicContact CD2-CB 4Å; L114-L137 HydrophobicContact CB-CB 4.25Å; L114-L137 HydrophobicContact CB-CD1 4.34Å
115A98.9Very high98.7Very high0 Ų019.8 Ų19.80%010%0.101CC..Hα-helixtrans-66.4-41.6-178.700000111.9F106 A111 G112 A118 V119 L137 A161 F164 V165F106-A115 HydrophobicContact CD2-CB 4.14Å; F106-A115 HydrophobicContact CE2-CB 4.08Å; A111-A115 WeakPolarHBondContact O-CB 3.29Å; A111-A115 PolarHBondContact O-N 3.3Å; G112-A115 PolarHBondContact O-N 3.05Å; A115-A118 PolarHBondContact O-N 3.36Å; A115-V119 PolarHBondContact O-N 2.88Å; A115-L137 HydrophobicContact CB-CD2 3.99Å; A115-A161 HydrophobicContact CB-CB 4Å; A115-F164 HydrophobicContact CB-CD1 4.16Å; A115-V165 HydrophobicContact CB-CG2 3.86Å
116V98.9Very high98.7Very high0 Ų021.4 Ų21.40%011%0.112CC..Hα-helixtrans-67.8-40.7177.7178.80000111T66 A69 V70 L73 V92 F106 G112 V119 L120 F164T66-V116 HydrophobicContact CG2-CB 4.16Å; T66-V116 HydrophobicContact CG2-CG2 3.67Å; A69-V116 HydrophobicContact CB-CG1 3.87Å; V70-V116 HydrophobicContact CG2-CG1 4.4Å; V70-V116 HydrophobicContact CG2-CG2 3.58Å; L73-V116 HydrophobicContact CD1-CG1 3.74Å; V92-V116 HydrophobicContact CG2-CG1 3.84Å; F106-V116 HydrophobicContact CE2-CG2 3.64Å; F106-V116 HydrophobicContact CZ-CG2 3.48Å; F106-V116 VanDerWaalsContact CZ-CG2 3.48Å; G112-V116 WeakPolarHBondContact O-CB 3.39Å; G112-V116 VanDerWaalsContact O-CG2 3.3Å; G112-V116 WeakPolarHBondContact O-CG2 3.34Å; G112-V116 PolarHBondContact O-N 3.38Å; V116-V119 PolarHBondContact O-N 3.17Å; V116-L120 VanDerWaalsContact O-CB 3.29Å; V116-L120 WeakPolarHBondContact O-CB 3.35Å; V116-L120 PolarHBondContact O-N 3.42Å; V116-F164 HydrophobicContact CG2-CE1 4.21Å; V116-F164 HydrophobicContact CG2-CZ 4.45Å
117A98.9Very high98.7Very high0 Ų024.7 Ų24.70%013%0.128CC..Hα-helixtrans-61.2-44.3174.100000112.3V92 L96 P113 L114 V119 L120 Y121V92-A117 HydrophobicContact CG1-CB 3.56Å; L96-A117 HydrophobicContact CD1-CB 4.01Å; L96-A117 HydrophobicContact CD2-CB 4.15Å; L96-A117 HydrophobicContact CG-CB 4.36Å; P113-A117 WeakPolarHBondContact O-CB 3.21Å; P113-A117 PolarHBondContact O-N 3.12Å; L114-A117 PolarHBondContact O-N 2.93Å; A117-V119 PolarHBondContact O-N 2.92Å; A117-L120 PolarHBondContact O-N 3.27Å; A117-Y121 HydrophobicContact CB-CD2 4.19Å; A117-Y121 HydrophobicContact CB-CE2 3.94Å; A117-Y121 WeakPolarHBondContact O-CB 3.28Å; A117-Y121 WeakPolarHBondContact O-CD2 3.18Å; A117-Y121 PolarHBondContact O-N 3.13Å
118A98.9Very high98.6Very high0 Ų033.4 Ų33.40%017%0.165CC..Hα-helixtrans-56.1-51.1178.700000111.8L114 A115 Y121 H122 A130 C133 I134 V165 F169L114-A118 WeakPolarHBondContact O-CB 3.35Å; L114-A118 PolarHBondContact O-N 3.31Å; A115-A118 PolarHBondContact O-N 3.36Å; A118-Y121 PolarHBondContact O-N 2.82Å; A118-H122 WeakPolarHBondContact O-CB 3.35Å; A118-H122 PolarHBondContact O-N 3.19Å; A118-A130 WeakPolarHBondContact O-CB 3.42Å; A118-C133 HydrophobicContact CB-CB 3.8Å; A118-I134 HydrophobicContact CB-CG1 3.92Å; A118-V165 HydrophobicContact CB-CG2 4.42Å; A118-F169 HydrophobicContact CB-CE2 4.36Å
119V98.9Very high98.6Very high1 Ų136.2 Ų36.21%0.00618%0.176CC..Hα-helixtrans-64.8-40.9179.1170.60000111.9A115 V116 A117 H122 K123 F164 N168 F169A115-V119 PolarHBondContact O-N 2.88Å; V116-V119 PolarHBondContact O-N 3.17Å; A117-V119 PolarHBondContact O-N 2.92Å; V119-H122 PolarHBondContact O-N 3.23Å; V119-K123 PolarHBondContact O-N 3.02Å; V119-F164 HydrophobicContact CB-CE1 4.03Å; V119-F164 HydrophobicContact CG1-CE1 4.47Å; V119-F164 HydrophobicContact CG2-CD1 3.98Å; V119-F164 HydrophobicContact CG2-CE1 3.6Å; V119-F164 HydrophobicContact CG2-CZ 4.46Å; V119-N168 HydrophobicContact CB-CB 4.24Å; V119-N168 HydrophobicContact CG1-CB 3.61Å; V119-N168 HydrophobicContact CG2-CB 3.54Å; V119-F169 HydrophobicContact CG2-CD2 4.28Å; V119-F169 HydrophobicContact CG2-CE2 4.05Å
120L98.8Very high98.6Very high0 Ų036 Ų360%017%0.173CC..Hα-helixtrans-64.7-46.3178.6-178135.1000111.7L73 A88 H89 V92 V116 A117 H122 K123 M124L73-L120 HydrophobicContact CD1-CB 4.49Å; L73-L120 HydrophobicContact CD2-CB 4.42Å; L73-L120 HydrophobicContact CD2-CD1 4.13Å; L73-L120 HydrophobicContact CG-CD1 4.46Å; A88-L120 HydrophobicContact CB-CD1 3.45Å; A88-L120 VanDerWaalsContact CB-CD1 3.45Å; H89-L120 HydrophobicContact CB-CD1 4.15Å; H89-L120 HydrophobicContact CB-CD2 3.89Å; H89-L120 VanDerWaalsContact N-CD1 3.3Å; V92-L120 HydrophobicContact CB-CD1 4.45Å; V92-L120 HydrophobicContact CG2-CB 4.26Å; V92-L120 HydrophobicContact CG2-CD1 3.83Å; V92-L120 HydrophobicContact CG2-CG 4.42Å; V116-L120 VanDerWaalsContact O-CB 3.29Å; V116-L120 WeakPolarHBondContact O-CB 3.35Å; V116-L120 PolarHBondContact O-N 3.42Å; A117-L120 PolarHBondContact O-N 3.27Å; L120-H122 VanDerWaalsContact C-N 3.3Å; L120-H122 PolarHBondContact O-N 2.92Å; L120-K123 PolarHBondContact O-N 3.38Å; L120-M124 HydrophobicContact CD2-SD 3.57Å; L120-M124 VanDerWaalsContact CD2-SD 3.57Å; L120-M124 HydrophobicContact CG-SD 4.26Å; L120-M124 WeakPolarHBondContact O-CG 3.34Å; L120-M124 PolarHBondContact O-N 2.97Å
121Y98.8Very high98.6Very high32 Ų3238.9 Ų38.913%0.12519%0.186CC..Hα-helixtrans-63.5-37.3177.6-71.8-48.3000111.8L96 A117 A118 M124 N125 S126 Q129L96-Y121 HydrophobicContact CD1-CE2 4.39Å; A117-Y121 HydrophobicContact CB-CD2 4.19Å; A117-Y121 HydrophobicContact CB-CE2 3.94Å; A117-Y121 WeakPolarHBondContact O-CB 3.28Å; A117-Y121 WeakPolarHBondContact O-CD2 3.18Å; A117-Y121 PolarHBondContact O-N 3.13Å; A118-Y121 PolarHBondContact O-N 2.82Å; Y121-M124 CarbonylContact O-C 3.12Å; Y121-M124 WeakPolarHBondContact O-CA 3.49Å; Y121-M124 PolarHBondContact O-N 3.01Å; Y121-M124 VanDerWaalsContact O-N 3.14Å; Y121-N125 PolarHBondContact O-N 3.27Å; Y121-S126 WeakPolarHBondContact O-CA 3.45Å; Y121-S126 WeakPolarHBondContact O-CB 3.5Å; Y121-S126 PolarHBondContact O-N 3.29Å; Y121-Q129 HydrophobicContact CD1-CB 4.04Å; Y121-Q129 HydrophobicContact CD2-CB 3.53Å; Y121-Q129 HydrophobicContact CE1-CB 4.34Å; Y121-Q129 HydrophobicContact CE2-CB 3.86Å; Y121-Q129 HydrophobicContact CG-CB 3.64Å
122H98.5Very high98.6Very high55 Ų5542.8 Ų42.826%0.25521%0.207SC..Hα-helixtrans-60.5-48.8171.9178.656.9000112.3A118 V119 L120 M124 N125 E127 A130 F169A118-H122 WeakPolarHBondContact O-CB 3.35Å; A118-H122 PolarHBondContact O-N 3.19Å; V119-H122 PolarHBondContact O-N 3.23Å; L120-H122 VanDerWaalsContact C-N 3.3Å; L120-H122 PolarHBondContact O-N 2.92Å; H122-M124 PolarHBondContact O-N 3.31Å; H122-M124 VanDerWaalsContact O-N 3.08Å; H122-N125 PolarHBondContact O-N 2.99Å; H122-E127 IonicContact CE1-OE1 2.67Å; H122-E127 IonicContact CG-OE1 2.84Å; H122-E127 IonicContact ND1-OE1 3.45Å; H122-E127 PolarHBondContact ND1-OE1 3.09Å; H122-E127 IonicContact ND1-OE2 3.69Å; H122-E127 PolarHBondContact ND1-OE2 3.14Å; H122-A130 HydrophobicContact CB-CB 4.43Å; H122-F169 HydrophobicContact CB-CD1 4.29Å; H122-F169 HydrophobicContact CB-CE1 3.58Å; H122-F169 HydrophobicContact CB-CE2 4.16Å; H122-F169 HydrophobicContact CB-CZ 3.52Å; H122-F169 AromaticContact CD2-CD1 3.77Å; H122-F169 AromaticContact CD2-CE1 3.96Å; H122-F169 AromaticContact CG-CD1 3.71Å; H122-F169 AromaticContact CG-CE1 3.43Å; H122-F169 VanDerWaalsContact CG-CE1 3.43Å; H122-F169 AromaticContact CG-CZ 3.89Å; H122-F169 AromaticContact ND1-CD1 3.88Å; H122-F169 AromaticContact ND1-CE1 3.66Å; H122-F169 AromaticContact NE2-CD1 3.98Å
123K98.2Very high98.6Very high63 Ų6342.9 Ų42.927%0.27421%0.208SC..Hα-helixtrans-60-22.3174.4-74.8-177.8-175.8-91.80113.4L73 Y76 D77 L85 V119 L120L73-K123 HydrophobicContact CD2-CD 3.99Å; Y76-K123 HydrophobicContact CD1-CD 4.48Å; Y76-K123 HydrophobicContact CE1-CD 4.46Å; D77-K123 IonicContact OD1-NZ 3.42Å; D77-K123 PolarHBondContact OD1-NZ 3.15Å; D77-K123 IonicContact OD2-NZ 2.83Å; D77-K123 PolarHBondContact OD2-NZ 3.24Å; L85-K123 HydrophobicContact CD1-CB 4.25Å; L85-K123 HydrophobicContact CD1-CD 4.4Å; V119-K123 PolarHBondContact O-N 3.02Å; L120-K123 PolarHBondContact O-N 3.38Å
124M98.1Very high98.6Very high69 Ų6942.9 Ų42.934%0.3421%0.208SC..THydrogen-bonded Turntrans-95.810.5175.6-65.8-17869.100113.6L85 H89 L120 Y121 H122 S126L85-M124 HydrophobicContact CD2-CG 4.29Å; L85-M124 HydrophobicContact CG-CG 4.46Å; H89-M124 HydrophobicContact CB-SD 3.95Å; L120-M124 HydrophobicContact CD2-SD 3.57Å; L120-M124 VanDerWaalsContact CD2-SD 3.57Å; L120-M124 HydrophobicContact CG-SD 4.26Å; L120-M124 WeakPolarHBondContact O-CG 3.34Å; L120-M124 PolarHBondContact O-N 2.97Å; Y121-M124 CarbonylContact O-C 3.12Å; Y121-M124 WeakPolarHBondContact O-CA 3.49Å; Y121-M124 PolarHBondContact O-N 3.01Å; Y121-M124 VanDerWaalsContact O-N 3.14Å; H122-M124 PolarHBondContact O-N 3.31Å; H122-M124 VanDerWaalsContact O-N 3.08Å; M124-S126 PolarHBondContact O-N 3.25Å; M124-S126 PolarHBondContact O-OG 2.92Å
125N98.1Very high98.6Very high142 Ų14246.1 Ų46.176%0.75923%0.227SC*.THydrogen-bonded Turntrans5632.5-177.1-52.8-71.9000113.5Y121 H122Y121-N125 PolarHBondContact O-N 3.27Å; H122-N125 PolarHBondContact O-N 2.99Å
126S97.9Very high98.6Very high33 Ų3350.6 Ų50.623%0.23124%0.244CC..  trans-106.158.8-179-63.30000111Y121 M124 K128 Q129 A130Y121-S126 WeakPolarHBondContact O-CA 3.45Å; Y121-S126 WeakPolarHBondContact O-CB 3.5Å; Y121-S126 PolarHBondContact O-N 3.29Å; M124-S126 PolarHBondContact O-N 3.25Å; M124-S126 PolarHBondContact O-OG 2.92Å; S126-K128 VanDerWaalsContact C-N 3.28Å; S126-K128 PolarHBondContact O-N 3.46Å; S126-Q129 PolarHBondContact O-N 2.95Å; S126-Q129 VanDerWaalsContact O-N 3.11Å; S126-Q129 PolarHBondContact O-OE1 3.13Å; S126-A130 PolarHBondContact O-N 2.94Å; S126-A130 VanDerWaalsContact O-N 3.11Å
127E97.9Very high98.6Very high72 Ų7250.6 Ų50.634%0.33624%0.244SC..Hα-helixtrans-58.1-35-169.4-62-53.2136.800114H122 Q129 A130 E131H122-E127 IonicContact CE1-OE1 2.67Å; H122-E127 IonicContact CG-OE1 2.84Å; H122-E127 IonicContact ND1-OE1 3.45Å; H122-E127 PolarHBondContact ND1-OE1 3.09Å; H122-E127 IonicContact ND1-OE2 3.69Å; H122-E127 PolarHBondContact ND1-OE2 3.14Å; E127-Q129 VanDerWaalsContact C-N 3.33Å; E127-Q129 PolarHBondContact O-N 3.08Å; E127-A130 WeakPolarHBondContact O-CB 3.32Å; E127-A130 PolarHBondContact O-N 3.47Å; E127-A130 VanDerWaalsContact O-N 3.16Å; E127-E131 WeakPolarHBondContact O-CB 3.3Å; E127-E131 WeakPolarHBondContact O-CG 3.32Å; E127-E131 PolarHBondContact O-N 3.42Å
128K98.4Very high98.5Very high182 Ų18252.3 Ų52.379%0.79125%0.253SS*.Hα-helixtrans-59.8-43.4178-175.4179.5179.4179.60112S126 D132S126-K128 VanDerWaalsContact C-N 3.28Å; S126-K128 PolarHBondContact O-N 3.46Å; K128-D132 PolarHBondContact O-N 3.33Å; K128-D132 VanDerWaalsContact O-N 3.16Å
129Q98.5Very high98.5Very high89 Ų8957.1 Ų57.142%0.41628%0.276SS..Hα-helixtrans-73.2-33.7177.2-66.492-41.700111.6Y121 S126 E127 C133Y121-Q129 HydrophobicContact CD1-CB 4.04Å; Y121-Q129 HydrophobicContact CD2-CB 3.53Å; Y121-Q129 HydrophobicContact CE1-CB 4.34Å; Y121-Q129 HydrophobicContact CE2-CB 3.86Å; Y121-Q129 HydrophobicContact CG-CB 3.64Å; S126-Q129 PolarHBondContact O-N 2.95Å; S126-Q129 VanDerWaalsContact O-N 3.11Å; S126-Q129 PolarHBondContact O-OE1 3.13Å; E127-Q129 VanDerWaalsContact C-N 3.33Å; E127-Q129 PolarHBondContact O-N 3.08Å; Q129-C133 PolarHBondContact O-N 3.4Å; Q129-C133 VanDerWaalsContact O-N 3.13Å; Q129-C133 PolarHBondContact O-SG 3.37Å
130A98.7Very high98.4Very high0 Ų057.6 Ų57.60%028%0.278CS..Hα-helixtrans-61.7-49.5175.400000111.3A118 H122 S126 E127 D132 C133 I134 F169A118-A130 WeakPolarHBondContact O-CB 3.42Å; H122-A130 HydrophobicContact CB-CB 4.43Å; S126-A130 PolarHBondContact O-N 2.94Å; S126-A130 VanDerWaalsContact O-N 3.11Å; E127-A130 WeakPolarHBondContact O-CB 3.32Å; E127-A130 PolarHBondContact O-N 3.47Å; E127-A130 VanDerWaalsContact O-N 3.16Å; A130-D132 PolarHBondContact O-N 3.38Å; A130-C133 WeakPolarHBondContact O-CB 3.48Å; A130-C133 PolarHBondContact O-N 2.89Å; A130-I134 WeakPolarHBondContact O-CG1 3.35Å; A130-I134 PolarHBondContact O-N 2.73Å; A130-F169 HydrophobicContact CB-CZ 4.17Å
131E98.6Very high98.2Very high70 Ų7059.8 Ų59.833%0.32729%0.29SS..Hα-helixtrans-67.5-32.9179.2-65.4-64.3169.200112.9E127 I134 T135 K173E127-E131 WeakPolarHBondContact O-CB 3.3Å; E127-E131 WeakPolarHBondContact O-CG 3.32Å; E127-E131 PolarHBondContact O-N 3.42Å; E131-I134 PolarHBondContact O-N 3.07Å; E131-T135 WeakPolarHBondContact O-CB 3.43Å; E131-T135 PolarHBondContact O-N 3.44Å; E131-T135 PolarHBondContact O-OG1 2.93Å; E131-K173 IonicContact OE1-NZ 3.32Å; E131-K173 PolarHBondContact OE1-NZ 3.3Å
132D98.7Very high97.9Very high82 Ų8265.3 Ų65.344%0.43931%0.314SS..Hα-helixtrans-60-46.9169.8179.375.6000111.5K128 A130 I134 T135 R136K128-D132 PolarHBondContact O-N 3.33Å; K128-D132 VanDerWaalsContact O-N 3.16Å; A130-D132 PolarHBondContact O-N 3.38Å; D132-I134 PolarHBondContact O-N 3.22Å; D132-T135 PolarHBondContact O-N 2.98Å; D132-R136 WeakPolarHBondContact O-CD 3.07Å; D132-R136 WeakPolarHBondContact O-CG 3.23Å; D132-R136 PolarHBondContact O-N 3.22Å; D132-R136 VanDerWaalsContact OD2-CD 3.22Å; D132-R136 WeakPolarHBondContact OD2-CD 3.48Å; D132-R136 IonicContact OD2-CZ 3.91Å; D132-R136 IonicContact OD2-NH1 2.63Å; D132-R136 PolarHBondContact OD2-NH1 3.21Å
133C98.9Very high97.7Very high3 Ų365.9 Ų65.92%0.0232%0.318CS..Hα-helixtrans-63.1-42.4178.6-66.60000111.4L114 A118 Q129 A130 R136 L137L114-C133 WeakPolarHBondContact O-CB 3.45Å; A118-C133 HydrophobicContact CB-CB 3.8Å; Q129-C133 PolarHBondContact O-N 3.4Å; Q129-C133 VanDerWaalsContact O-N 3.13Å; Q129-C133 PolarHBondContact O-SG 3.37Å; A130-C133 WeakPolarHBondContact O-CB 3.48Å; A130-C133 PolarHBondContact O-N 2.89Å; C133-R136 PolarHBondContact O-N 2.81Å; C133-L137 VanDerWaalsContact O-CB 3.31Å; C133-L137 WeakPolarHBondContact O-CB 3.21Å; C133-L137 PolarHBondContact O-N 3.38Å
134I98.9Very high97.5Very high4 Ų465.5 Ų65.52%0.02132%0.32CS..Hα-helixtrans-61.4-46.8176.9-71.6164.5000111.1A118 A130 E131 D132 R136 L137 I138 V165 F169 K173 I174A118-I134 HydrophobicContact CB-CG1 3.92Å; A130-I134 WeakPolarHBondContact O-CG1 3.35Å; A130-I134 PolarHBondContact O-N 2.73Å; E131-I134 PolarHBondContact O-N 3.07Å; D132-I134 PolarHBondContact O-N 3.22Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 3.12Å; I134-L137 WeakPolarHBondContact O-CB 3.49Å; I134-L137 PolarHBondContact O-N 3.49Å; I134-I138 HydrophobicContact CG2-CD1 3.84Å; I134-I138 WeakPolarHBondContact O-CG1 3.39Å; I134-I138 PolarHBondContact O-N 3.45Å; I134-V165 HydrophobicContact CD1-CG1 4.22Å; I134-V165 HydrophobicContact CG1-CG1 4.1Å; I134-F169 HydrophobicContact CD1-CE1 4.28Å; I134-F169 HydrophobicContact CD1-CE2 4.25Å; I134-F169 HydrophobicContact CD1-CZ 3.79Å; I134-K173 HydrophobicContact CD1-CB 4.18Å; I134-K173 HydrophobicContact CD1-CD 4.49Å; I134-K173 HydrophobicContact CD1-CG 4.29Å; I134-I174 HydrophobicContact CG2-CD1 3.74Å
135T98.7Very high97.2Very high71 Ų7166.4 Ų66.444%0.43633%0.331SS..Hα-helixtrans-60.3-44.7180-59.50000111.2E131 D132 I138 H139E131-T135 WeakPolarHBondContact O-CB 3.43Å; E131-T135 PolarHBondContact O-N 3.44Å; E131-T135 PolarHBondContact O-OG1 2.93Å; D132-T135 PolarHBondContact O-N 2.98Å; T135-I138 PolarHBondContact O-N 3.27Å; T135-H139 PolarHBondContact O-CD2 3.41Å; T135-H139 PolarHBondContact O-N 3.42Å
136R98.7Very high97Very high94 Ų9467.8 Ų67.836%0.35533%0.332SS..Hα-helixtrans-66.3-38.2177-70.3162.860.9-167.3-0.6112.1L114 D132 C133 I134 H139 L140L114-R136 HydrophobicContact CD1-CB 4.11Å; L114-R136 HydrophobicContact CD2-CB 4Å; D132-R136 WeakPolarHBondContact O-CD 3.07Å; D132-R136 WeakPolarHBondContact O-CG 3.23Å; D132-R136 PolarHBondContact O-N 3.22Å; D132-R136 VanDerWaalsContact OD2-CD 3.22Å; D132-R136 WeakPolarHBondContact OD2-CD 3.48Å; D132-R136 IonicContact OD2-CZ 3.91Å; D132-R136 IonicContact OD2-NH1 2.63Å; D132-R136 PolarHBondContact OD2-NH1 3.21Å; C133-R136 PolarHBondContact O-N 2.81Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 3.12Å; R136-H139 PolarHBondContact O-N 3.21Å; R136-L140 PolarHBondContact O-N 3Å
137L98.8Very high97Very high0 Ų066.4 Ų66.40%032%0.322CS..Hα-helixtrans-61.4-50.3176.3-179.764.3000110.8A111 L114 A115 C133 I134 H139 L140 Y158 A161 L162 V165 I174A111-L137 HydrophobicContact CB-CD1 3.48Å; A111-L137 VanDerWaalsContact CB-CD1 3.48Å; L114-L137 HydrophobicContact CB-CB 4.25Å; L114-L137 HydrophobicContact CB-CD1 4.34Å; A115-L137 HydrophobicContact CB-CD2 3.99Å; C133-L137 VanDerWaalsContact O-CB 3.31Å; C133-L137 WeakPolarHBondContact O-CB 3.21Å; C133-L137 PolarHBondContact O-N 3.38Å; I134-L137 WeakPolarHBondContact O-CB 3.49Å; I134-L137 PolarHBondContact O-N 3.49Å; L137-H139 VanDerWaalsContact C-N 3.25Å; L137-H139 PolarHBondContact O-N 3.26Å; L137-L140 WeakPolarHBondContact O-CB 3.22Å; L137-L140 PolarHBondContact O-N 2.87Å; L137-Y158 HydrophobicContact CD1-CD2 4.42Å; L137-Y158 HydrophobicContact CD1-CE2 3.85Å; L137-Y158 HydrophobicContact CG-CE2 4.34Å; L137-Y158 WeakPolarHBondContact O-CE2 3.33Å; L137-Y158 PolarHBondContact O-OH 3.27Å; L137-A161 HydrophobicContact CD1-CB 4.23Å; L137-L162 HydrophobicContact CD2-CD2 3.94Å; L137-L162 HydrophobicContact CG-CD2 3.9Å; L137-V165 HydrophobicContact CD2-CG2 3.89Å; L137-I174 HydrophobicContact CD2-CD1 4.5Å
138I98.5Very high97Very high37 Ų3764.5 Ų64.519%0.1932%0.317CS..Hα-helixtrans-57.6-37.7-180-70.7163.7000112.1I134 T135 L140 N141 Y158 I174 H178I134-I138 HydrophobicContact CG2-CD1 3.84Å; I134-I138 WeakPolarHBondContact O-CG1 3.39Å; I134-I138 PolarHBondContact O-N 3.45Å; T135-I138 PolarHBondContact O-N 3.27Å; I138-L140 VanDerWaalsContact C-N 3.27Å; I138-L140 PolarHBondContact O-N 2.76Å; I138-N141 PolarHBondContact O-OD1 3.33Å; I138-Y158 WeakPolarHBondContact CA-OH 3.46Å; I138-Y158 PolarHBondContact O-OH 3Å; I138-I174 HydrophobicContact CD1-CD1 3.91Å; I138-I174 HydrophobicContact CG1-CD1 3.7Å; I138-H178 PolarHBondContact O-CE1 3.15Å
139H97.6Very high97.1Very high101 Ų10156.4 Ų56.447%0.46828%0.282SS..Hα-helixtrans-78.4-9.9179-69.4-31.2000114.2T135 R136 L137 N141 K142T135-H139 PolarHBondContact O-CD2 3.41Å; T135-H139 PolarHBondContact O-N 3.42Å; R136-H139 PolarHBondContact O-N 3.21Å; L137-H139 VanDerWaalsContact C-N 3.25Å; L137-H139 PolarHBondContact O-N 3.26Å; H139-N141 VanDerWaalsContact C-N 3.33Å; H139-N141 PolarHBondContact O-N 3.24Å; H139-K142 PolarHBondContact O-N 3.17Å
140L97.5Very high97.1Very high11 Ų1152.2 Ų52.26%0.05826%0.262CS..G310 helixtrans-68.4-30.9-173.5-163.872.9000112.8I104 D110 A111 R136 L137 I138 K142 I143 Y158I104-L140 HydrophobicContact CB-CD2 4.49Å; I104-L140 HydrophobicContact CG2-CG 4.38Å; I104-L140 WeakPolarHBondContact CG2-O 3.41Å; D110-L140 HydrophobicContact CB-CD1 3.75Å; D110-L140 HydrophobicContact CB-CD2 3.86Å; D110-L140 HydrophobicContact CB-CG 4.45Å; A111-L140 HydrophobicContact CB-CD2 3.69Å; A111-L140 VanDerWaalsContact N-CD2 3.3Å; R136-L140 PolarHBondContact O-N 3Å; L137-L140 WeakPolarHBondContact O-CB 3.22Å; L137-L140 PolarHBondContact O-N 2.87Å; I138-L140 VanDerWaalsContact C-N 3.27Å; I138-L140 PolarHBondContact O-N 2.76Å; L140-K142 PolarHBondContact O-N 2.74Å; L140-I143 HydrophobicContact CD1-CD1 3.82Å; L140-I143 HydrophobicContact CD1-CG2 4.42Å; L140-I143 HydrophobicContact CG-CD1 4Å; L140-I143 VanDerWaalsContact O-CG1 3.27Å; L140-I143 WeakPolarHBondContact O-CG1 3.41Å; L140-I143 WeakPolarHBondContact O-CG2 3.32Å; L140-I143 PolarHBondContact O-N 2.92Å; L140-I143 VanDerWaalsContact O-N 3.1Å; L140-Y158 HydrophobicContact CB-CE2 4.21Å
141N93.8Very high97.1Very high46 Ų4652.2 Ų52.225%0.24626%0.262CS..G310 helixtrans-59.4-19.2179.374.7-27.2000114.1I138 H139 I143 Y158 H178I138-N141 PolarHBondContact O-OD1 3.33Å; H139-N141 VanDerWaalsContact C-N 3.33Å; H139-N141 PolarHBondContact O-N 3.24Å; N141-I143 VanDerWaalsContact C-N 3.31Å; N141-I143 PolarHBondContact O-N 3.17Å; N141-Y158 HydrophobicContact CB-CD1 4.19Å; N141-Y158 HydrophobicContact CB-CE1 3.57Å; N141-H178 PolarHBondContact ND2-CE1 2.97Å
142K93.6Very high97.1Very high147 Ų14749.2 Ų49.264%0.63925%0.249SC*.G310 helixtrans-75-17.2179.7-62.7178.5179.1175.40113.5H139 L140 D144H139-K142 PolarHBondContact O-N 3.17Å; L140-K142 PolarHBondContact O-N 2.74Å; K142-D144 VanDerWaalsContact C-N 3.3Å; K142-D144 PolarHBondContact O-N 3.17Å
143I94.1Very high97.1Very high67 Ų6750 Ų5034%0.34425%0.246SC..G310 helixtrans-72.9-25.3-175.576.4-172.8000112.6I104 L140 N141I104-I143 HydrophobicContact CG2-CD1 3.63Å; I104-I143 HydrophobicContact CG2-CG1 3.51Å; L140-I143 HydrophobicContact CD1-CD1 3.82Å; L140-I143 HydrophobicContact CD1-CG2 4.42Å; L140-I143 HydrophobicContact CG-CD1 4Å; L140-I143 VanDerWaalsContact O-CG1 3.27Å; L140-I143 WeakPolarHBondContact O-CG1 3.41Å; L140-I143 WeakPolarHBondContact O-CG2 3.32Å; L140-I143 PolarHBondContact O-N 2.92Å; L140-I143 VanDerWaalsContact O-N 3.1Å; N141-I143 VanDerWaalsContact C-N 3.31Å; N141-I143 PolarHBondContact O-N 3.17Å
144D93.6Very high97.1Very high56 Ų5649.8 Ų49.830%0.29925%0.245SC..  trans-14086.6177-173.11.3000111.3K142 H146 A147K142-D144 VanDerWaalsContact C-N 3.3Å; K142-D144 PolarHBondContact O-N 3.17Å; D144-H146 PolarHBondContact O-N 3.26Å; D144-H146 VanDerWaalsContact OD1-C 3.29Å; D144-H146 WeakPolarHBondContact OD1-CA 3.42Å; D144-H146 PolarHBondContact OD1-N 3.24Å; D144-A147 HydrophobicContact CB-CB 4.18Å; D144-A147 VanDerWaalsContact CG-N 3.33Å; D144-A147 WeakPolarHBondContact O-CB 3.26Å; D144-A147 PolarHBondContact O-N 2.88Å; D144-A147 PolarHBondContact OD1-N 3.39Å; D144-A147 VanDerWaalsContact OD2-CA 3.29Å; D144-A147 WeakPolarHBondContact OD2-CA 3.4Å
145P91.9Very high97.1Very high88 Ų8851.3 Ų51.357%0.57125%0.25SS*.THydrogen-bonded Turntrans-61.3-22.7176.2-22.333.8000113.4R155P145-R155 PolarHBondContact O-NH2 2.96Å
146H94.6Very high97.1Very high171 Ų17147.9 Ų47.979%0.79223%0.229SC*.THydrogen-bonded Turntrans-10717-175.1-61-52.4000113D144D144-H146 PolarHBondContact O-N 3.26Å; D144-H146 VanDerWaalsContact OD1-C 3.29Å; D144-H146 WeakPolarHBondContact OD1-CA 3.42Å; D144-H146 PolarHBondContact OD1-N 3.24Å
147A97.6Very high97.1Very high3 Ų343.4 Ų43.43%0.02521%0.213CC..  trans-49.2148.7178.800000112I104 D144 R155I104-A147 HydrophobicContact CD1-CB 3.73Å; I104-A147 HydrophobicContact CG1-CB 4.49Å; D144-A147 HydrophobicContact CB-CB 4.18Å; D144-A147 VanDerWaalsContact CG-N 3.33Å; D144-A147 WeakPolarHBondContact O-CB 3.26Å; D144-A147 PolarHBondContact O-N 2.88Å; D144-A147 PolarHBondContact OD1-N 3.39Å; D144-A147 VanDerWaalsContact OD2-CA 3.29Å; D144-A147 WeakPolarHBondContact OD2-CA 3.4Å; A147-R155 VanDerWaalsContact O-CZ 3.23Å; A147-R155 PolarHBondContact O-NH1 3.03Å; A147-R155 PolarHBondContact O-NH2 3.44Å
148P98.4Very high97.1Very high33 Ų3343.5 Ų43.521%0.21421%0.213CC..  trans-64.9-178.2171.528.6-32.7000110.7G154 R155P148-G154 VanDerWaalsContact C-CA 3.41Å; P148-G154 CarbonylContact O-C 3.48Å; P148-G154 WeakPolarHBondContact O-CA 3.35Å; P148-R155 PolarHBondContact O-N 3.02Å
149N98.9Very high97.1Very high11 Ų1141.7 Ų41.76%0.05920%0.204CC..SBendtrans-107.2-12.4-176.5-65.8-63.5000113.8R155 I156 I186 S189 Y207 I224N149-R155 PolarHBondContact OD1-NH1 3.4Å; N149-I156 WeakPolarHBondContact O-CG1 3.45Å; N149-I156 WeakPolarHBondContact O-CG2 3.13Å; N149-I156 PolarHBondContact O-N 3.32Å; N149-I186 HydrophobicContact CB-CG2 4.37Å; N149-S189 PolarHBondContact ND2-OG 3.45Å; N149-Y207 HydrophobicContact CB-CD1 3.78Å; N149-Y207 HydrophobicContact CB-CE1 4.11Å; N149-Y207 WeakPolarHBondContact ND2-CD1 3.42Å; N149-I224 HydrophobicContact CB-CD1 3.78Å; N149-I224 HydrophobicContact CB-CG1 4.39Å
150E98.8Very high97.2Very high2 Ų237.4 Ų37.41%0.00918%0.184CC..SBendtrans-80.6-177.4-172.558.264.5-109.400114.7L152 Y153 G154 I156 W209 H219 I224E150-L152 PolarHBondContact OE2-N 3.44Å; E150-Y153 VanDerWaalsContact OE1-CA 3.23Å; E150-Y153 WeakPolarHBondContact OE1-CA 3.23Å; E150-Y153 WeakPolarHBondContact OE1-CB 3.36Å; E150-Y153 PolarHBondContact OE1-N 3.1Å; E150-G154 CarbonylContact O-C 3.56Å; E150-G154 VanDerWaalsContact O-C 3.24Å; E150-G154 WeakPolarHBondContact O-CA 3.37Å; E150-G154 PolarHBondContact O-N 3.14Å; E150-G154 PolarHBondContact OE1-N 3.02Å; E150-I156 WeakPolarHBondContact O-CG1 3Å; E150-W209 HydrophobicContact CG-CB 3.82Å; E150-W209 HydrophobicContact CG-CG 3.85Å; E150-H219 VanDerWaalsContact CB-O 3.24Å; E150-H219 WeakPolarHBondContact CB-O 3.17Å; E150-H219 HydrophobicContact CG-CB 4.34Å; E150-H219 WeakPolarHBondContact CG-O 3.5Å; E150-H219 IonicContact OE2-CE1 3.34Å; E150-H219 IonicContact OE2-CG 2.88Å; E150-H219 IonicContact OE2-ND1 2.99Å; E150-H219 PolarHBondContact OE2-ND1 3.49Å; E150-I224 HydrophobicContact CB-CD1 4.46Å
151M98.9Very high97.3Very high0 Ų036.9 Ų36.90%018%0.181CC..THydrogen-bonded Turntrans-78-38.6-163.7-169.759.4-131.700113.4L107 I156 G157 F160 A218 Y227 W275 A396 F397L107-M151 HydrophobicContact CD1-CE 3.92Å; L107-M151 HydrophobicContact CD1-CG 4.04Å; L107-M151 HydrophobicContact CG-CE 4.49Å; M151-I156 HydrophobicContact CB-CD1 4.17Å; M151-I156 HydrophobicContact CB-CG1 4.31Å; M151-I156 HydrophobicContact SD-CD1 4.37Å; M151-I156 HydrophobicContact SD-CG1 4.06Å; M151-G157 VanDerWaalsContact CE-CA 3.5Å; M151-G157 VanDerWaalsContact O-CA 3.24Å; M151-G157 WeakPolarHBondContact O-CA 3.22Å; M151-F160 HydrophobicContact CE-CB 3.82Å; M151-F160 HydrophobicContact CE-CG 4.23Å; M151-A218 WeakPolarHBondContact CA-O 3.31Å; M151-A218 WeakPolarHBondContact CB-O 3.03Å; M151-A218 PolarHBondContact N-O 3.42Å; M151-Y227 HydrophobicContact SD-CE2 4.17Å; M151-W275 HydrophobicContact CG-CH2 4.31Å; M151-W275 HydrophobicContact CG-CZ2 4.36Å; M151-A396 WeakPolarHBondContact CE-O 3.45Å; M151-F397 HydrophobicContact CG-CD2 4.09Å; M151-F397 HydrophobicContact SD-CD2 4.01Å
152L98.8Very high97.5Very high7 Ų734.7 Ų34.74%0.03717%0.169CC..THydrogen-bonded Turntrans-82-32.7-171.6-60.8-157.7000112.5Y62 T105 L107 C108 E150 A218 H219 W275Y62-L152 HydrophobicContact CD2-CD1 4.45Å; Y62-L152 HydrophobicContact CD2-CD2 4.28Å; Y62-L152 HydrophobicContact CE2-CD1 4.14Å; Y62-L152 HydrophobicContact CE2-CD2 4.43Å; T105-L152 WeakPolarHBondContact CB-O 3.15Å; T105-L152 WeakPolarHBondContact CG2-O 3.41Å; T105-L152 PolarHBondContact OG1-O 3.23Å; L107-L152 HydrophobicContact CB-CD2 4.18Å; L107-L152 HydrophobicContact CD1-CD2 3.39Å; L107-L152 HydrophobicContact CG-CD2 4.4Å; C108-L152 VanDerWaalsContact CB-O 3.28Å; C108-L152 WeakPolarHBondContact CB-O 3.23Å; E150-L152 PolarHBondContact OE2-N 3.44Å; L152-A218 HydrophobicContact CD1-CB 4.44Å; L152-A218 HydrophobicContact CG-CB 4.24Å; L152-H219 VanDerWaalsContact CD1-CE1 3.42Å; L152-H219 WeakPolarHBondContact CD1-CE1 3.4Å; L152-W275 HydrophobicContact CD2-CH2 4.19Å; L152-W275 HydrophobicContact CD2-CZ3 4.46Å
153Y98.8Very high97.8Very high97 Ų9728.5 Ų28.538%0.3814%0.143SC..THydrogen-bonded Turntrans-132.2-5.5-175.9-58.2-75.7000114.2C108 E150 W209C108-Y153 HydrophobicContact CB-CD1 3.9Å; C108-Y153 HydrophobicContact CB-CE1 3.44Å; C108-Y153 VanDerWaalsContact CB-CE1 3.44Å; E150-Y153 VanDerWaalsContact OE1-CA 3.23Å; E150-Y153 WeakPolarHBondContact OE1-CA 3.23Å; E150-Y153 WeakPolarHBondContact OE1-CB 3.36Å; E150-Y153 PolarHBondContact OE1-N 3.1Å; Y153-W209 AromaticContact CD2-CE2 3.99Å; Y153-W209 AromaticContact CD2-CZ2 3.75Å; Y153-W209 HydrophobicContact CD2-CZ2 3.75Å; Y153-W209 AromaticContact CD2-NE1 3.96Å; Y153-W209 HydrophobicContact CE2-CH2 4.47Å; Y153-W209 AromaticContact CE2-CZ2 3.85Å; Y153-W209 HydrophobicContact CE2-CZ2 3.85Å
154G98.8Very high98Very high0 Ų026.6 Ų26.60%013%0.132CC..SBendtrans-106.5-174.4-171.500000116.5T105 P148 E150 I156 G157 Y158T105-G154 VanDerWaalsContact CG2-O 3.23Å; T105-G154 WeakPolarHBondContact CG2-O 3.45Å; P148-G154 VanDerWaalsContact C-CA 3.41Å; P148-G154 CarbonylContact O-C 3.48Å; P148-G154 WeakPolarHBondContact O-CA 3.35Å; E150-G154 CarbonylContact O-C 3.56Å; E150-G154 VanDerWaalsContact O-C 3.24Å; E150-G154 WeakPolarHBondContact O-CA 3.37Å; E150-G154 PolarHBondContact O-N 3.14Å; E150-G154 PolarHBondContact OE1-N 3.02Å; G154-I156 PolarHBondContact O-N 2.67Å; G154-G157 WeakPolarHBondContact O-CA 3.18Å; G154-G157 PolarHBondContact O-N 3.23Å; G154-Y158 PolarHBondContact O-N 3.12Å
155R98.9Very high98.2Very high35 Ų3524 Ų2413%0.13212%0.118CC..Hα-helixtrans-60.2-37.6-173.2-66.4-176.4-175.878.311.6113.6P145 A147 P148 N149 G157 Y158 I159 I182 I186P145-R155 PolarHBondContact O-NH2 2.96Å; A147-R155 VanDerWaalsContact O-CZ 3.23Å; A147-R155 PolarHBondContact O-NH1 3.03Å; A147-R155 PolarHBondContact O-NH2 3.44Å; P148-R155 PolarHBondContact O-N 3.02Å; N149-R155 PolarHBondContact OD1-NH1 3.4Å; R155-G157 VanDerWaalsContact C-N 3.26Å; R155-G157 PolarHBondContact O-N 2.87Å; R155-Y158 PolarHBondContact O-N 3.33Å; R155-I159 WeakPolarHBondContact O-CG1 3.29Å; R155-I159 PolarHBondContact O-N 3.42Å; R155-I182 HydrophobicContact CB-CG2 3.93Å; R155-I182 HydrophobicContact CG-CG2 4.25Å; R155-I186 HydrophobicContact CB-CD1 3.63Å; R155-I186 HydrophobicContact CB-CG1 3.6Å; R155-I186 HydrophobicContact CG-CG1 4.23Å
156I98.8Very high98.6Very high0 Ų020.9 Ų20.90%010%0.097CC..Hα-helixtrans-67.2-31176.771.3-178000111.6N149 E150 M151 G154 Y158 I159 F160 I186 G223 I224 Y227N149-I156 WeakPolarHBondContact O-CG1 3.45Å; N149-I156 WeakPolarHBondContact O-CG2 3.13Å; N149-I156 PolarHBondContact O-N 3.32Å; E150-I156 WeakPolarHBondContact O-CG1 3Å; M151-I156 HydrophobicContact CB-CD1 4.17Å; M151-I156 HydrophobicContact CB-CG1 4.31Å; M151-I156 HydrophobicContact SD-CD1 4.37Å; M151-I156 HydrophobicContact SD-CG1 4.06Å; G154-I156 PolarHBondContact O-N 2.67Å; I156-Y158 VanDerWaalsContact C-N 3.3Å; I156-Y158 PolarHBondContact O-N 3.18Å; I156-I159 PolarHBondContact O-N 3.43Å; I156-F160 PolarHBondContact O-N 2.96Å; I156-I186 HydrophobicContact CG2-CD1 3.84Å; I156-G223 VanDerWaalsContact CD1-C 3.5Å; I156-I224 HydrophobicContact CD1-CB 4.46Å; I156-I224 HydrophobicContact CD1-CG1 3.87Å; I156-Y227 HydrophobicContact CB-CD1 4.15Å; I156-Y227 HydrophobicContact CB-CD2 4.31Å; I156-Y227 HydrophobicContact CB-CG 3.97Å; I156-Y227 HydrophobicContact CD1-CD2 4.2Å; I156-Y227 HydrophobicContact CG2-CG 4.19Å
157G98.9Very high98.7Very high0 Ų018.3 Ų18.30%08%0.083CC..Hα-helixtrans-67.1-30174.500000114.1F106 M151 G154 R155F106-G157 PolarHBondContact N-O 3.39Å; M151-G157 VanDerWaalsContact CE-CA 3.5Å; M151-G157 VanDerWaalsContact O-CA 3.24Å; M151-G157 WeakPolarHBondContact O-CA 3.22Å; G154-G157 WeakPolarHBondContact O-CA 3.18Å; G154-G157 PolarHBondContact O-N 3.23Å; R155-G157 VanDerWaalsContact C-N 3.26Å; R155-G157 PolarHBondContact O-N 2.87Å
158Y98.9Very high98.8Very high1 Ų120.6 Ų20.60%0.00410%0.095CC..Hα-helixtrans-76.1-42.9169.1176.9-118.6000111.6I104 A111 L137 I138 L140 N141 G154 R155 I156 F160 A161 L162 H178 I182I104-Y158 HydrophobicContact CB-CD2 4.45Å; I104-Y158 HydrophobicContact CB-CG 4.49Å; I104-Y158 HydrophobicContact CD1-CG 4.47Å; I104-Y158 WeakPolarHBondContact O-CB 3.39Å; I104-Y158 WeakPolarHBondContact O-CD2 3.5Å; A111-Y158 HydrophobicContact CB-CD2 4.01Å; L137-Y158 HydrophobicContact CD1-CD2 4.42Å; L137-Y158 HydrophobicContact CD1-CE2 3.85Å; L137-Y158 HydrophobicContact CG-CE2 4.34Å; L137-Y158 WeakPolarHBondContact O-CE2 3.33Å; L137-Y158 PolarHBondContact O-OH 3.27Å; I138-Y158 WeakPolarHBondContact CA-OH 3.46Å; I138-Y158 PolarHBondContact O-OH 3Å; L140-Y158 HydrophobicContact CB-CE2 4.21Å; N141-Y158 HydrophobicContact CB-CD1 4.19Å; N141-Y158 HydrophobicContact CB-CE1 3.57Å; G154-Y158 PolarHBondContact O-N 3.12Å; R155-Y158 PolarHBondContact O-N 3.33Å; I156-Y158 VanDerWaalsContact C-N 3.3Å; I156-Y158 PolarHBondContact O-N 3.18Å; Y158-F160 VanDerWaalsContact C-N 3.26Å; Y158-F160 PolarHBondContact O-N 3.48Å; Y158-A161 VanDerWaalsContact O-CB 3.29Å; Y158-A161 WeakPolarHBondContact O-CB 3.41Å; Y158-A161 PolarHBondContact O-N 3.48Å; Y158-L162 HydrophobicContact CD1-CD1 4.16Å; Y158-L162 HydrophobicContact CE1-CD1 3.72Å; Y158-L162 HydrophobicContact CE1-CD2 4.26Å; Y158-L162 HydrophobicContact CE1-CG 4.2Å; Y158-L162 HydrophobicContact CE2-CD2 3.99Å; Y158-L162 HydrophobicContact CE2-CG 4.45Å; Y158-L162 PolarHBondContact O-N 3.05Å; Y158-H178 AromaticContact CE1-NE2 3.85Å; Y158-H178 AromaticContact CZ-NE2 3.95Å; Y158-H178 PolarHBondContact OH-NE2 3.11Å; Y158-H178 VanDerWaalsContact OH-NE2 3.14Å; Y158-I182 HydrophobicContact CD1-CD1 3.79Å; Y158-I182 HydrophobicContact CE1-CD1 3.46Å; Y158-I182 VanDerWaalsContact CE1-CD1 3.46Å
159I98.9Very high98.8Very high0 Ų020 Ų200%09%0.089CC..Hα-helixtrans-55.8-41.4175.5-74.2175.2000111.4R155 I156 A161 L162 L163 I182 I186 Y227 L233R155-I159 WeakPolarHBondContact O-CG1 3.29Å; R155-I159 PolarHBondContact O-N 3.42Å; I156-I159 PolarHBondContact O-N 3.43Å; I159-A161 VanDerWaalsContact C-N 3.27Å; I159-A161 PolarHBondContact O-N 3.2Å; I159-L162 WeakPolarHBondContact O-CB 3.49Å; I159-L162 PolarHBondContact O-N 3.06Å; I159-L162 VanDerWaalsContact O-N 3.14Å; I159-L163 HydrophobicContact CG2-CD1 3.76Å; I159-L163 HydrophobicContact CG2-CG 4.17Å; I159-L163 WeakPolarHBondContact O-CG 3.24Å; I159-L163 PolarHBondContact O-N 3.18Å; I159-I182 HydrophobicContact CD1-CB 4.41Å; I159-I182 HydrophobicContact CD1-CG2 3.93Å; I159-I182 HydrophobicContact CG1-CB 4.47Å; I159-I182 HydrophobicContact CG1-CG2 3.98Å; I159-I186 HydrophobicContact CD1-CD1 3.68Å; I159-Y227 HydrophobicContact CG2-CD1 4.02Å; I159-Y227 HydrophobicContact CG2-CE1 4.24Å; I159-L233 HydrophobicContact CD1-CD2 4.08Å; I159-L233 HydrophobicContact CG2-CD1 3.85Å; I159-L233 HydrophobicContact CG2-CD2 4.45Å; I159-L233 HydrophobicContact CG2-CG 4.49Å
160F98.9Very high98.7Very high11 Ų1123 Ų235%0.04812%0.122CC..Hα-helixtrans-55.4-44.1174.6177.9-91.4000111.7F106 M151 I156 Y158 L162 L163 F164 Y227 A396 L399F106-F160 HydrophobicContact CB-CD1 3.72Å; F106-F160 HydrophobicContact CB-CE1 4.42Å; F106-F160 AromaticContact CD1-CD1 3.89Å; F106-F160 HydrophobicContact CD1-CD1 3.89Å; F106-F160 AromaticContact CD1-CE1 3.77Å; F106-F160 HydrophobicContact CD1-CE1 3.77Å; F106-F160 AromaticContact CD2-CD1 3.85Å; F106-F160 HydrophobicContact CD2-CD1 3.85Å; F106-F160 AromaticContact CD2-CE1 3.88Å; F106-F160 HydrophobicContact CD2-CE1 3.88Å; F106-F160 HydrophobicContact CE1-CD1 4.47Å; F106-F160 AromaticContact CE1-CE1 3.89Å; F106-F160 HydrophobicContact CE1-CE1 3.89Å; F106-F160 HydrophobicContact CE2-CD1 4.41Å; F106-F160 AromaticContact CE2-CE1 3.97Å; F106-F160 HydrophobicContact CE2-CE1 3.97Å; F106-F160 AromaticContact CG-CD1 3.54Å; F106-F160 HydrophobicContact CG-CD1 3.54Å; F106-F160 AromaticContact CG-CE1 3.75Å; F106-F160 HydrophobicContact CG-CE1 3.75Å; F106-F160 AromaticContact CZ-CE1 3.98Å; F106-F160 HydrophobicContact CZ-CE1 3.98Å; M151-F160 HydrophobicContact CE-CB 3.82Å; M151-F160 HydrophobicContact CE-CG 4.23Å; I156-F160 PolarHBondContact O-N 2.96Å; Y158-F160 VanDerWaalsContact C-N 3.26Å; Y158-F160 PolarHBondContact O-N 3.48Å; F160-L162 VanDerWaalsContact C-N 3.3Å; F160-L162 PolarHBondContact O-N 3.37Å; F160-L163 PolarHBondContact O-N 2.76Å; F160-F164 HydrophobicContact CD1-CB 4.49Å; F160-F164 HydrophobicContact CE1-CB 3.99Å; F160-F164 HydrophobicContact CE1-CD2 4.14Å; F160-F164 HydrophobicContact CE1-CG 4.32Å; F160-F164 HydrophobicContact CZ-CB 4.24Å; F160-F164 HydrophobicContact CZ-CD2 4.04Å; F160-F164 VanDerWaalsContact O-CB 3.23Å; F160-F164 WeakPolarHBondContact O-CB 3.27Å; F160-F164 PolarHBondContact O-N 3.06Å; F160-Y227 HydrophobicContact CB-CE1 4.25Å; F160-Y227 WeakPolarHBondContact CD2-OH 3.36Å; F160-A396 VanDerWaalsContact CE1-CA 3.5Å; F160-A396 HydrophobicContact CE1-CB 4.11Å; F160-A396 HydrophobicContact CZ-CB 4.37Å; F160-L399 HydrophobicContact CD2-CD2 3.89Å; F160-L399 HydrophobicContact CE2-CD2 4.09Å
161A98.9Very high98.5Very high0 Ų028.1 Ų28.10%015%0.146CC..Hα-helixtrans-60.4-40.1178.500000112.3F106 A111 A115 L137 Y158 I159 V165F106-A161 HydrophobicContact CB-CB 4.05Å; F106-A161 HydrophobicContact CD2-CB 3.86Å; F106-A161 HydrophobicContact CG-CB 4.47Å; A111-A161 HydrophobicContact CB-CB 3.73Å; A115-A161 HydrophobicContact CB-CB 4Å; L137-A161 HydrophobicContact CD1-CB 4.23Å; Y158-A161 VanDerWaalsContact O-CB 3.29Å; Y158-A161 WeakPolarHBondContact O-CB 3.41Å; Y158-A161 PolarHBondContact O-N 3.48Å; I159-A161 VanDerWaalsContact C-N 3.27Å; I159-A161 PolarHBondContact O-N 3.2Å; A161-V165 WeakPolarHBondContact O-CG2 2.97Å; A161-V165 PolarHBondContact O-N 2.84Å
162L98.9Very high98.4Very high0 Ų034.1 Ų34.10%017%0.174CC..Hα-helixtrans-65.9-46.1177.6-56.7-178.5000111.7L137 Y158 I159 F160 F164 V165 N166 I174 I179 I182L137-L162 HydrophobicContact CD2-CD2 3.94Å; L137-L162 HydrophobicContact CG-CD2 3.9Å; Y158-L162 HydrophobicContact CD1-CD1 4.16Å; Y158-L162 HydrophobicContact CE1-CD1 3.72Å; Y158-L162 HydrophobicContact CE1-CD2 4.26Å; Y158-L162 HydrophobicContact CE1-CG 4.2Å; Y158-L162 HydrophobicContact CE2-CD2 3.99Å; Y158-L162 HydrophobicContact CE2-CG 4.45Å; Y158-L162 PolarHBondContact O-N 3.05Å; I159-L162 WeakPolarHBondContact O-CB 3.49Å; I159-L162 PolarHBondContact O-N 3.06Å; I159-L162 VanDerWaalsContact O-N 3.14Å; F160-L162 VanDerWaalsContact C-N 3.3Å; F160-L162 PolarHBondContact O-N 3.37Å; L162-F164 VanDerWaalsContact C-N 3.34Å; L162-V165 PolarHBondContact O-N 2.94Å; L162-N166 PolarHBondContact O-N 2.79Å; L162-N166 VanDerWaalsContact O-N 3.12Å; L162-I174 HydrophobicContact CB-CG1 4.32Å; L162-I174 HydrophobicContact CB-CG2 4.12Å; L162-I174 HydrophobicContact CD1-CG2 4.25Å; L162-I174 HydrophobicContact CD2-CD1 4.2Å; L162-I174 HydrophobicContact CD2-CG1 4.21Å; L162-I174 HydrophobicContact CD2-CG2 4Å; L162-I174 HydrophobicContact CG-CG2 4.33Å; L162-I179 HydrophobicContact CB-CD1 4.32Å; L162-I179 HydrophobicContact CB-CG1 4.26Å; L162-I179 HydrophobicContact CD1-CG1 3.93Å; L162-I182 HydrophobicContact CD1-CD1 3.89Å
163L98.9Very high98.4Very high16 Ų1636 Ų368%0.08418%0.182CC..Hα-helixtrans-68.8-34178.8-66.7177.5000112.1I159 F160 V165 N166 K167 I179 L233 L399I159-L163 HydrophobicContact CG2-CD1 3.76Å; I159-L163 HydrophobicContact CG2-CG 4.17Å; I159-L163 WeakPolarHBondContact O-CG 3.24Å; I159-L163 PolarHBondContact O-N 3.18Å; F160-L163 PolarHBondContact O-N 2.76Å; L163-V165 VanDerWaalsContact C-N 3.34Å; L163-N166 PolarHBondContact O-N 3.35Å; L163-K167 WeakPolarHBondContact O-CB 3.3Å; L163-K167 PolarHBondContact O-N 2.97Å; L163-I179 HydrophobicContact CD2-CD1 3.91Å; L163-L233 HydrophobicContact CD1-CD1 3.95Å; L163-L399 HydrophobicContact CB-CD2 3.9Å; L163-L399 HydrophobicContact CD1-CD1 3.53Å; L163-L399 HydrophobicContact CD1-CD2 3.89Å; L163-L399 HydrophobicContact CD1-CG 4.38Å
164F98.9Very high98.4Very high28 Ų2831.4 Ų31.412%0.12316%0.164CC..Hα-helixtrans-59.1-45.1173.1177.4-91.9000111F106 A115 V116 V119 F160 L162 N168F106-F164 HydrophobicContact CE2-CB 4.46Å; F106-F164 AromaticContact CE2-CD1 3.95Å; F106-F164 HydrophobicContact CE2-CD1 3.95Å; F106-F164 HydrophobicContact CE2-CD2 4.4Å; F106-F164 HydrophobicContact CE2-CE1 4.29Å; F106-F164 HydrophobicContact CE2-CG 4.01Å; F106-F164 HydrophobicContact CZ-CD2 4.47Å; F106-F164 HydrophobicContact CZ-CE2 4.5Å; A115-F164 HydrophobicContact CB-CD1 4.16Å; V116-F164 HydrophobicContact CG2-CE1 4.21Å; V116-F164 HydrophobicContact CG2-CZ 4.45Å; V119-F164 HydrophobicContact CB-CE1 4.03Å; V119-F164 HydrophobicContact CG1-CE1 4.47Å; V119-F164 HydrophobicContact CG2-CD1 3.98Å; V119-F164 HydrophobicContact CG2-CE1 3.6Å; V119-F164 HydrophobicContact CG2-CZ 4.46Å; F160-F164 HydrophobicContact CD1-CB 4.49Å; F160-F164 HydrophobicContact CE1-CB 3.99Å; F160-F164 HydrophobicContact CE1-CD2 4.14Å; F160-F164 HydrophobicContact CE1-CG 4.32Å; F160-F164 HydrophobicContact CZ-CB 4.24Å; F160-F164 HydrophobicContact CZ-CD2 4.04Å; F160-F164 VanDerWaalsContact O-CB 3.23Å; F160-F164 WeakPolarHBondContact O-CB 3.27Å; F160-F164 PolarHBondContact O-N 3.06Å; L162-F164 VanDerWaalsContact C-N 3.34Å; F164-N168 WeakPolarHBondContact O-CB 3.29Å; F164-N168 PolarHBondContact O-N 3.42Å; F164-N168 VanDerWaalsContact O-N 3.15Å; F164-N168 PolarHBondContact O-OD1 3.37Å
165V98.9Very high98.3Very high0 Ų033.8 Ų33.80%018%0.179CC..Hα-helixtrans-59.6-58.4173.1172.30000110.3A115 A118 I134 L137 A161 L162 L163 K167 N168 F169 K173 I174A115-V165 HydrophobicContact CB-CG2 3.86Å; A118-V165 HydrophobicContact CB-CG2 4.42Å; I134-V165 HydrophobicContact CD1-CG1 4.22Å; I134-V165 HydrophobicContact CG1-CG1 4.1Å; L137-V165 HydrophobicContact CD2-CG2 3.89Å; A161-V165 WeakPolarHBondContact O-CG2 2.97Å; A161-V165 PolarHBondContact O-N 2.84Å; L162-V165 PolarHBondContact O-N 2.94Å; L163-V165 VanDerWaalsContact C-N 3.34Å; V165-K167 VanDerWaalsContact C-N 3.3Å; V165-K167 PolarHBondContact O-N 2.98Å; V165-N168 PolarHBondContact O-N 3.04Å; V165-N168 VanDerWaalsContact O-N 3.11Å; V165-F169 HydrophobicContact CG1-CD2 3.77Å; V165-F169 HydrophobicContact CG1-CE2 3.78Å; V165-F169 VanDerWaalsContact O-CD2 3.23Å; V165-F169 WeakPolarHBondContact O-CD2 3.39Å; V165-F169 PolarHBondContact O-N 3.17Å; V165-K173 HydrophobicContact CG1-CB 4.01Å; V165-I174 HydrophobicContact CB-CG1 4.25Å; V165-I174 HydrophobicContact CG1-CD1 4.45Å; V165-I174 HydrophobicContact CG1-CG1 4.14Å
166N98.7Very high98.3Very high23 Ų2333.7 Ų33.712%0.12318%0.18CC..Hα-helixtrans-56.1-44-176.5-75.63.6000112.7L162 L163 N168 G170 K173 I174L162-N166 PolarHBondContact O-N 2.79Å; L162-N166 VanDerWaalsContact O-N 3.12Å; L163-N166 PolarHBondContact O-N 3.35Å; N166-N168 VanDerWaalsContact C-N 3.35Å; N166-N168 PolarHBondContact O-N 2.81Å; N166-G170 PolarHBondContact O-N 2.95Å; N166-K173 PolarHBondContact OD1-N 3.08Å; N166-I174 PolarHBondContact ND2-O 2.94Å; N166-I174 WeakPolarHBondContact OD1-CB 3.43Å; N166-I174 PolarHBondContact OD1-N 3.28Å
167K98.1Very high98.3Very high118 Ų11838.3 Ų38.351%0.51321%0.205SC..Hα-helixtrans-60.6-43.2179.3-177.9177.8177.9177.50112.2L163 V165 G170 L399L163-K167 WeakPolarHBondContact O-CB 3.3Å; L163-K167 PolarHBondContact O-N 2.97Å; V165-K167 VanDerWaalsContact C-N 3.3Å; V165-K167 PolarHBondContact O-N 2.98Å; K167-G170 PolarHBondContact O-N 2.79Å; K167-L399 PolarHBondContact NZ-OXT 3.23Å
168N98.4Very high98.2Very high51 Ų5139.2 Ų39.227%0.27321%0.21SC..Hα-helixtrans-83.3-20.4-173.9-77.368.6000113.9V119 F164 V165 N166V119-N168 HydrophobicContact CB-CB 4.24Å; V119-N168 HydrophobicContact CG1-CB 3.61Å; V119-N168 HydrophobicContact CG2-CB 3.54Å; F164-N168 WeakPolarHBondContact O-CB 3.29Å; F164-N168 PolarHBondContact O-N 3.42Å; F164-N168 VanDerWaalsContact O-N 3.15Å; F164-N168 PolarHBondContact O-OD1 3.37Å; V165-N168 PolarHBondContact O-N 3.04Å; V165-N168 VanDerWaalsContact O-N 3.11Å; N166-N168 VanDerWaalsContact C-N 3.35Å; N166-N168 PolarHBondContact O-N 2.81Å
169F98.1Very high98.2Very high21 Ų2139.2 Ų39.29%0.09221%0.209CC..Hα-helixtrans-82.4-23.8168-81.1-103.5000112.2A118 V119 H122 A130 I134 V165 E171 K173A118-F169 HydrophobicContact CB-CE2 4.36Å; V119-F169 HydrophobicContact CG2-CD2 4.28Å; V119-F169 HydrophobicContact CG2-CE2 4.05Å; H122-F169 HydrophobicContact CB-CD1 4.29Å; H122-F169 HydrophobicContact CB-CE1 3.58Å; H122-F169 HydrophobicContact CB-CE2 4.16Å; H122-F169 HydrophobicContact CB-CZ 3.52Å; H122-F169 AromaticContact CD2-CD1 3.77Å; H122-F169 AromaticContact CD2-CE1 3.96Å; H122-F169 AromaticContact CG-CD1 3.71Å; H122-F169 AromaticContact CG-CE1 3.43Å; H122-F169 VanDerWaalsContact CG-CE1 3.43Å; H122-F169 AromaticContact CG-CZ 3.89Å; H122-F169 AromaticContact ND1-CD1 3.88Å; H122-F169 AromaticContact ND1-CE1 3.66Å; H122-F169 AromaticContact NE2-CD1 3.98Å; A130-F169 HydrophobicContact CB-CZ 4.17Å; I134-F169 HydrophobicContact CD1-CE1 4.28Å; I134-F169 HydrophobicContact CD1-CE2 4.25Å; I134-F169 HydrophobicContact CD1-CZ 3.79Å; V165-F169 HydrophobicContact CG1-CD2 3.77Å; V165-F169 HydrophobicContact CG1-CE2 3.78Å; V165-F169 VanDerWaalsContact O-CD2 3.23Å; V165-F169 WeakPolarHBondContact O-CD2 3.39Å; V165-F169 PolarHBondContact O-N 3.17Å; F169-E171 HydrophobicContact CB-CG 4.28Å; F169-E171 PolarHBondContact O-N 2.85Å; F169-K173 HydrophobicContact CB-CG 3.79Å; F169-K173 HydrophobicContact CD1-CD 4.05Å; F169-K173 HydrophobicContact CD1-CG 3.55Å; F169-K173 HydrophobicContact CD2-CG 4.23Å; F169-K173 HydrophobicContact CE1-CD 4.39Å; F169-K173 HydrophobicContact CE1-CG 4.1Å; F169-K173 HydrophobicContact CG-CG 3.59Å
170G96.7Very high98.2Very high72 Ų7242.5 Ų42.574%0.74223%0.225SC*.THydrogen-bonded Turntrans75.97.5-176.400000114N166 K167N166-G170 PolarHBondContact O-N 2.95Å; K167-G170 PolarHBondContact O-N 2.79Å
171E95.1Very high98.1Very high111 Ų11147.2 Ų47.252%0.51925%0.247SC..SBendtrans-142.8168178.266176-171.800111.6F169 K173F169-E171 HydrophobicContact CB-CG 4.28Å; F169-E171 PolarHBondContact O-N 2.85Å; E171-K173 HydrophobicContact CG-CD 4.27Å; E171-K173 HydrophobicContact CG-CG 4.18Å; E171-K173 PolarHBondContact O-N 3.26Å; E171-K173 WeakPolarHBondContact OE1-CD 3.46Å; E171-K173 WeakPolarHBondContact OE1-CE 3.42Å; E171-K173 IonicContact OE1-NZ 2.79Å; E171-K173 PolarHBondContact OE1-NZ 2.93Å
172E97.3Very high98.1Very high126 Ų12647.8 Ų47.859%0.58925%0.25SC*.  trans-76.882.1177.6-170.2-178.4140.800111I174 P175 Q176E172-I174 VanDerWaalsContact CG-O 3.26Å; E172-I174 WeakPolarHBondContact CG-O 2.97Å; E172-P175 WeakPolarHBondContact OE1-CA 3.33Å; E172-Q176 PolarHBondContact OE1-N 3.39Å
173K98.1Very high98.1Very high46 Ų4647.9 Ų47.920%0.225%0.251CS..  trans-77.8-39.5171.8-75.4-56.6-161.9-179.20112.9E131 I134 V165 N166 F169 E171E131-K173 IonicContact OE1-NZ 3.32Å; E131-K173 PolarHBondContact OE1-NZ 3.3Å; I134-K173 HydrophobicContact CD1-CB 4.18Å; I134-K173 HydrophobicContact CD1-CD 4.49Å; I134-K173 HydrophobicContact CD1-CG 4.29Å; V165-K173 HydrophobicContact CG1-CB 4.01Å; N166-K173 PolarHBondContact OD1-N 3.08Å; F169-K173 HydrophobicContact CB-CG 3.79Å; F169-K173 HydrophobicContact CD1-CD 4.05Å; F169-K173 HydrophobicContact CD1-CG 3.55Å; F169-K173 HydrophobicContact CD2-CG 4.23Å; F169-K173 HydrophobicContact CE1-CD 4.39Å; F169-K173 HydrophobicContact CE1-CG 4.1Å; F169-K173 HydrophobicContact CG-CG 3.59Å; E171-K173 HydrophobicContact CG-CD 4.27Å; E171-K173 HydrophobicContact CG-CG 4.18Å; E171-K173 PolarHBondContact O-N 3.26Å; E171-K173 WeakPolarHBondContact OE1-CD 3.46Å; E171-K173 WeakPolarHBondContact OE1-CE 3.42Å; E171-K173 IonicContact OE1-NZ 2.79Å; E171-K173 PolarHBondContact OE1-NZ 2.93Å
174I98.6Very high98.1Very high0 Ų050.7 Ų50.70%026%0.263CS..SBendtrans-92.5119.3171.4-53.8-62000107.8I134 L137 I138 L162 V165 N166 E172 Q176 I179I134-I174 HydrophobicContact CG2-CD1 3.74Å; L137-I174 HydrophobicContact CD2-CD1 4.5Å; I138-I174 HydrophobicContact CD1-CD1 3.91Å; I138-I174 HydrophobicContact CG1-CD1 3.7Å; L162-I174 HydrophobicContact CB-CG1 4.32Å; L162-I174 HydrophobicContact CB-CG2 4.12Å; L162-I174 HydrophobicContact CD1-CG2 4.25Å; L162-I174 HydrophobicContact CD2-CD1 4.2Å; L162-I174 HydrophobicContact CD2-CG1 4.21Å; L162-I174 HydrophobicContact CD2-CG2 4Å; L162-I174 HydrophobicContact CG-CG2 4.33Å; V165-I174 HydrophobicContact CB-CG1 4.25Å; V165-I174 HydrophobicContact CG1-CD1 4.45Å; V165-I174 HydrophobicContact CG1-CG1 4.14Å; N166-I174 PolarHBondContact ND2-O 2.94Å; N166-I174 WeakPolarHBondContact OD1-CB 3.43Å; N166-I174 PolarHBondContact OD1-N 3.28Å; E172-I174 VanDerWaalsContact CG-O 3.26Å; E172-I174 WeakPolarHBondContact CG-O 2.97Å; I174-Q176 PolarHBondContact O-N 2.83Å; I174-I179 HydrophobicContact CG2-CD1 4.32Å; I174-I179 HydrophobicContact CG2-CG1 4.15Å
175P98.3Very high98.1Very high50 Ų5052 Ų5233%0.32528%0.276SS..  trans-55.7132.6180-29.337.3000113.2E172 N177 H178 I179E172-P175 WeakPolarHBondContact OE1-CA 3.33Å; P175-N177 WeakPolarHBondContact CB-OD1 3.45Å; P175-N177 PolarHBondContact O-N 3.42Å; P175-H178 VanDerWaalsContact O-CB 3.31Å; P175-H178 WeakPolarHBondContact O-CB 3.31Å; P175-H178 PolarHBondContact O-N 3.15Å; P175-I179 PolarHBondContact O-N 3.1Å
176Q98.3Very high98.1Very high33 Ų3352 Ų5215%0.15428%0.276CS..Hα-helixtrans-60-35-178.1-178.458.728.600112.2E172 I174 H178 I179 Q180 S232 Q234E172-Q176 PolarHBondContact OE1-N 3.39Å; I174-Q176 PolarHBondContact O-N 2.83Å; Q176-H178 VanDerWaalsContact C-N 3.26Å; Q176-H178 PolarHBondContact O-N 3.26Å; Q176-I179 PolarHBondContact O-N 3.29Å; Q176-Q180 WeakPolarHBondContact O-CB 3.43Å; Q176-Q180 PolarHBondContact O-N 3.49Å; Q176-S232 PolarHBondContact NE2-O 2.85Å; Q176-Q234 VanDerWaalsContact NE2-CD 3.27Å
177N97.9Very high98.1Very high97 Ų9751.1 Ų51.152%0.51927%0.271SS..Hα-helixtrans-61.4-32.8176.166.9-17.6000112.7P175 Q181P175-N177 WeakPolarHBondContact CB-OD1 3.45Å; P175-N177 PolarHBondContact O-N 3.42Å; N177-Q181 WeakPolarHBondContact O-CG 3.31Å; N177-Q181 PolarHBondContact O-N 3.01Å
178H98.4Very high98.1Very high20 Ų2049.4 Ų49.49%0.09327%0.268CS..Hα-helixtrans-67.2-44.6176.6-175.372.5000110.9I138 N141 Y158 P175 Q176 Q181 I182I138-H178 PolarHBondContact O-CE1 3.15Å; N141-H178 PolarHBondContact ND2-CE1 2.97Å; Y158-H178 AromaticContact CE1-NE2 3.85Å; Y158-H178 AromaticContact CZ-NE2 3.95Å; Y158-H178 PolarHBondContact OH-NE2 3.11Å; Y158-H178 VanDerWaalsContact OH-NE2 3.14Å; P175-H178 VanDerWaalsContact O-CB 3.31Å; P175-H178 WeakPolarHBondContact O-CB 3.31Å; P175-H178 PolarHBondContact O-N 3.15Å; Q176-H178 VanDerWaalsContact C-N 3.26Å; Q176-H178 PolarHBondContact O-N 3.26Å; H178-Q181 PolarHBondContact O-N 3.34Å; H178-I182 WeakPolarHBondContact O-CD1 3.08Å; H178-I182 WeakPolarHBondContact O-CG1 3.21Å; H178-I182 PolarHBondContact O-N 3.02Å
179I98.7Very high98.1Very high0 Ų048.9 Ų48.90%027%0.268CS..Hα-helixtrans-62.9-45.3176.7-60.1174000110.2L162 L163 I174 P175 Q176 Q181 I182 C183 L233L162-I179 HydrophobicContact CB-CD1 4.32Å; L162-I179 HydrophobicContact CB-CG1 4.26Å; L162-I179 HydrophobicContact CD1-CG1 3.93Å; L163-I179 HydrophobicContact CD2-CD1 3.91Å; I174-I179 HydrophobicContact CG2-CD1 4.32Å; I174-I179 HydrophobicContact CG2-CG1 4.15Å; P175-I179 PolarHBondContact O-N 3.1Å; Q176-I179 PolarHBondContact O-N 3.29Å; I179-Q181 PolarHBondContact O-N 3.35Å; I179-I182 PolarHBondContact O-N 3.16Å; I179-C183 PolarHBondContact O-N 3.35Å; I179-L233 HydrophobicContact CG2-CD1 4.35Å; I179-L233 HydrophobicContact CG2-CG 4.47Å
180Q98.1Very high98.1Very high69 Ų6947.9 Ų47.932%0.32226%0.264SS..Hα-helixtrans-61.5-42.6179.8-172.9178.7-5.100112.5Q176 I182 C183 E184Q176-Q180 WeakPolarHBondContact O-CB 3.43Å; Q176-Q180 PolarHBondContact O-N 3.49Å; Q180-I182 VanDerWaalsContact C-N 3.28Å; Q180-I182 PolarHBondContact O-N 3.15Å; Q180-C183 WeakPolarHBondContact O-CB 3.5Å; Q180-C183 PolarHBondContact O-N 2.79Å; Q180-C183 VanDerWaalsContact O-N 3.15Å; Q180-E184 PolarHBondContact NE2-OE1 3.3Å; Q180-E184 WeakPolarHBondContact O-CG 3.37Å; Q180-E184 PolarHBondContact O-N 3.46Å
181Q97.9Very high98.2Very high111 Ų11147.5 Ų47.552%0.51924%0.243SC..Hα-helixtrans-59.7-38.1177.5-76.2169.9-1.200112.7N177 H178 I179 S185N177-Q181 WeakPolarHBondContact O-CG 3.31Å; N177-Q181 PolarHBondContact O-N 3.01Å; H178-Q181 PolarHBondContact O-N 3.34Å; I179-Q181 PolarHBondContact O-N 3.35Å; Q181-S185 PolarHBondContact O-N 3.15Å; Q181-S185 VanDerWaalsContact O-N 3.13Å; Q181-S185 PolarHBondContact O-OG 3.25Å
182I98.5Very high98.4Very high11 Ų1145.3 Ų45.36%0.05623%0.234CC..Hα-helixtrans-71.2-41.6177-59.4155.2000109.8R155 Y158 I159 L162 H178 I179 Q180 E184 S185 I186R155-I182 HydrophobicContact CB-CG2 3.93Å; R155-I182 HydrophobicContact CG-CG2 4.25Å; Y158-I182 HydrophobicContact CD1-CD1 3.79Å; Y158-I182 HydrophobicContact CE1-CD1 3.46Å; Y158-I182 VanDerWaalsContact CE1-CD1 3.46Å; I159-I182 HydrophobicContact CD1-CB 4.41Å; I159-I182 HydrophobicContact CD1-CG2 3.93Å; I159-I182 HydrophobicContact CG1-CB 4.47Å; I159-I182 HydrophobicContact CG1-CG2 3.98Å; L162-I182 HydrophobicContact CD1-CD1 3.89Å; H178-I182 WeakPolarHBondContact O-CD1 3.08Å; H178-I182 WeakPolarHBondContact O-CG1 3.21Å; H178-I182 PolarHBondContact O-N 3.02Å; I179-I182 PolarHBondContact O-N 3.16Å; Q180-I182 VanDerWaalsContact C-N 3.28Å; Q180-I182 PolarHBondContact O-N 3.15Å; I182-E184 VanDerWaalsContact C-N 3.34Å; I182-E184 PolarHBondContact O-N 3.34Å; I182-S185 WeakPolarHBondContact O-CB 3.23Å; I182-S185 PolarHBondContact O-N 3.3Å; I182-S185 VanDerWaalsContact O-N 3.16Å; I182-I186 HydrophobicContact CG2-CD1 4.48Å; I182-I186 WeakPolarHBondContact O-CG1 3.46Å; I182-I186 PolarHBondContact O-N 3.31Å
183C98.7Very high98.5Very high3 Ų340.5 Ų40.52%0.0221%0.213CC..Hα-helixtrans-58.6-44.2174.6-174.60000112I179 Q180 S185 I186 L187 L233I179-C183 PolarHBondContact O-N 3.35Å; Q180-C183 WeakPolarHBondContact O-CB 3.5Å; Q180-C183 PolarHBondContact O-N 2.79Å; Q180-C183 VanDerWaalsContact O-N 3.15Å; C183-S185 VanDerWaalsContact C-N 3.29Å; C183-S185 PolarHBondContact O-N 3.34Å; C183-I186 WeakPolarHBondContact O-CB 3.47Å; C183-I186 PolarHBondContact O-N 3.21Å; C183-L187 PolarHBondContact O-N 2.88Å; C183-L233 HydrophobicContact CB-CD2 4.38Å; C183-L233 HydrophobicContact CB-CG 4.36Å
184E98.4Very high98.5Very high74 Ų7438.3 Ų38.335%0.34620%0.203SC..Hα-helixtrans-61.7-38.4175.5-73.5177.6-177.900111.9Q180 I182 I186 L187 N188Q180-E184 PolarHBondContact NE2-OE1 3.3Å; Q180-E184 WeakPolarHBondContact O-CG 3.37Å; Q180-E184 PolarHBondContact O-N 3.46Å; I182-E184 VanDerWaalsContact C-N 3.34Å; I182-E184 PolarHBondContact O-N 3.34Å; E184-I186 VanDerWaalsContact C-N 3.34Å; E184-I186 PolarHBondContact O-N 3.25Å; E184-L187 PolarHBondContact O-N 3.49Å; E184-N188 WeakPolarHBondContact O-CB 3.39Å; E184-N188 PolarHBondContact O-N 3.01Å; E184-N188 PolarHBondContact O-ND2 3.1Å
185S98.4Very high98.5Very high57 Ų5745 Ų4540%0.39923%0.228SC..Hα-helixtrans-62.8-39.1174.5-59.40000112.4Q181 I182 C183 S189Q181-S185 PolarHBondContact O-N 3.15Å; Q181-S185 VanDerWaalsContact O-N 3.13Å; Q181-S185 PolarHBondContact O-OG 3.25Å; I182-S185 WeakPolarHBondContact O-CB 3.23Å; I182-S185 PolarHBondContact O-N 3.3Å; I182-S185 VanDerWaalsContact O-N 3.16Å; C183-S185 VanDerWaalsContact C-N 3.29Å; C183-S185 PolarHBondContact O-N 3.34Å; S185-S189 VanDerWaalsContact O-CB 3.23Å; S185-S189 WeakPolarHBondContact O-CB 3.47Å; S185-S189 PolarHBondContact O-N 3.07Å
186I98.8Very high98.5Very high0 Ų050.2 Ų50.20%025%0.246CC..Hα-helixtrans-64.5-46175.3-63.7164.9000110.9N149 R155 I156 I159 I182 C183 E184 S189 G190 Y207 I224 L228N149-I186 HydrophobicContact CB-CG2 4.37Å; R155-I186 HydrophobicContact CB-CD1 3.63Å; R155-I186 HydrophobicContact CB-CG1 3.6Å; R155-I186 HydrophobicContact CG-CG1 4.23Å; I156-I186 HydrophobicContact CG2-CD1 3.84Å; I159-I186 HydrophobicContact CD1-CD1 3.68Å; I182-I186 HydrophobicContact CG2-CD1 4.48Å; I182-I186 WeakPolarHBondContact O-CG1 3.46Å; I182-I186 PolarHBondContact O-N 3.31Å; C183-I186 WeakPolarHBondContact O-CB 3.47Å; C183-I186 PolarHBondContact O-N 3.21Å; E184-I186 VanDerWaalsContact C-N 3.34Å; E184-I186 PolarHBondContact O-N 3.25Å; I186-S189 PolarHBondContact O-N 3.29Å; I186-G190 PolarHBondContact O-N 3.36Å; I186-Y207 HydrophobicContact CG2-CE1 3.9Å; I186-Y207 VanDerWaalsContact O-CE1 3.31Å; I186-Y207 WeakPolarHBondContact O-CE1 3.1Å; I186-Y207 PolarHBondContact O-OH 2.89Å; I186-I224 HydrophobicContact CG2-CG2 3.97Å; I186-L228 HydrophobicContact CG2-CD1 4.45Å; I186-L228 HydrophobicContact CG2-CD2 4.28Å
187L98.9Very high98.5Very high4 Ų453.9 Ų53.92%0.02126%0.258CS..Hα-helixtrans-61.9-51.8178.8-73.4166.3000111.2C183 E184 S189 G190 E191 L205 L228 V235 K239 V244C183-L187 PolarHBondContact O-N 2.88Å; E184-L187 PolarHBondContact O-N 3.49Å; L187-S189 VanDerWaalsContact C-N 3.3Å; L187-S189 PolarHBondContact O-N 3.34Å; L187-G190 WeakPolarHBondContact O-CA 3.47Å; L187-G190 PolarHBondContact O-N 3.16Å; L187-E191 PolarHBondContact O-N 3.15Å; L187-L205 HydrophobicContact CD2-CD1 4.03Å; L187-L205 HydrophobicContact CD2-CD2 4.48Å; L187-L228 HydrophobicContact CD2-CD1 3.96Å; L187-L228 HydrophobicContact CD2-CD2 3.96Å; L187-L228 HydrophobicContact CG-CD2 3.99Å; L187-V235 HydrophobicContact CD1-CG1 4.2Å; L187-V235 HydrophobicContact CD1-CG2 4.27Å; L187-K239 HydrophobicContact CD1-CD 4.25Å; L187-V244 HydrophobicContact CD2-CG2 4.28Å
188N98.7Very high98.5Very high81 Ų8156.2 Ų56.243%0.43327%0.271SS..Hα-helixtrans-58.8-42.3178.9-68.6-23.3000111.4E184 G190 N192E184-N188 WeakPolarHBondContact O-CB 3.39Å; E184-N188 PolarHBondContact O-N 3.01Å; E184-N188 PolarHBondContact O-ND2 3.1Å; N188-G190 VanDerWaalsContact C-N 3.32Å; N188-G190 PolarHBondContact O-N 3.32Å; N188-N192 VanDerWaalsContact O-CB 3.27Å; N188-N192 WeakPolarHBondContact O-CB 3.2Å; N188-N192 PolarHBondContact O-N 3.12Å; N188-N192 VanDerWaalsContact O-N 3.09Å; N188-N192 PolarHBondContact O-ND2 2.89Å
189S98.6Very high98.5Very high40 Ų4056.7 Ų56.728%0.2827%0.273SS..Hα-helixtrans-61.3-40.7174.9-178.60000112N149 S185 I186 L187 N192 L193N149-S189 PolarHBondContact ND2-OG 3.45Å; S185-S189 VanDerWaalsContact O-CB 3.23Å; S185-S189 WeakPolarHBondContact O-CB 3.47Å; S185-S189 PolarHBondContact O-N 3.07Å; I186-S189 PolarHBondContact O-N 3.29Å; L187-S189 VanDerWaalsContact C-N 3.3Å; L187-S189 PolarHBondContact O-N 3.34Å; S189-N192 PolarHBondContact O-N 3.49Å; S189-L193 PolarHBondContact O-N 3.4Å
190G98.9Very high98.3Very high0 Ų060.2 Ų60.20%029%0.294CS..Hα-helixtrans-66.2-47.3-178.400000112.9I186 L187 N188 N192 L193 A194 M206 Y207I186-G190 PolarHBondContact O-N 3.36Å; L187-G190 WeakPolarHBondContact O-CA 3.47Å; L187-G190 PolarHBondContact O-N 3.16Å; N188-G190 VanDerWaalsContact C-N 3.32Å; N188-G190 PolarHBondContact O-N 3.32Å; G190-N192 VanDerWaalsContact C-N 3.32Å; G190-N192 PolarHBondContact O-N 2.91Å; G190-L193 PolarHBondContact O-N 3Å; G190-A194 WeakPolarHBondContact O-CB 3.21Å; G190-A194 PolarHBondContact O-N 3.16Å; G190-M206 WeakPolarHBondContact CA-O 3.19Å; G190-M206 PolarHBondContact O-N 3.22Å; G190-M206 VanDerWaalsContact O-N 3.11Å; G190-Y207 VanDerWaalsContact CA-CE1 3.41Å
191E98.8Very high98.3Very high64 Ų6462 Ų6230%0.29932%0.321SS..Hα-helixtrans-62.7-41.1176.2-65.8-178.772.800111.3L187 A194 R195 L205 L243L187-E191 PolarHBondContact O-N 3.15Å; E191-A194 PolarHBondContact O-N 3.34Å; E191-R195 WeakPolarHBondContact O-CB 3.43Å; E191-R195 PolarHBondContact O-N 3.44Å; E191-L205 HydrophobicContact CB-CD2 4.44Å; E191-L205 HydrophobicContact CG-CD2 3.51Å; E191-L243 HydrophobicContact CG-CD1 4.25Å; E191-L243 HydrophobicContact CG-CD2 4.08Å; E191-L243 WeakPolarHBondContact OE2-CD1 3.5Å
192N98.7Very high98.2Very high65 Ų6563.9 Ų63.935%0.34833%0.327SS..Hα-helixtrans-63-44.7178.5-76.8-29.2000112.3N188 S189 G190 R195 K196N188-N192 VanDerWaalsContact O-CB 3.27Å; N188-N192 WeakPolarHBondContact O-CB 3.2Å; N188-N192 PolarHBondContact O-N 3.12Å; N188-N192 VanDerWaalsContact O-N 3.09Å; N188-N192 PolarHBondContact O-ND2 2.89Å; S189-N192 PolarHBondContact O-N 3.49Å; G190-N192 VanDerWaalsContact C-N 3.32Å; G190-N192 PolarHBondContact O-N 2.91Å; N192-R195 PolarHBondContact OD1-NH1 3.38Å; N192-R195 VanDerWaalsContact OD1-NH1 3.14Å; N192-R195 PolarHBondContact OD1-NH2 2.9Å; N192-K196 WeakPolarHBondContact O-CB 3.17Å; N192-K196 VanDerWaalsContact O-CG 3.29Å; N192-K196 WeakPolarHBondContact O-CG 3.3Å; N192-K196 PolarHBondContact O-N 3.49Å
193L98.7Very high98.2Very high25 Ų2563.4 Ų63.413%0.13133%0.325CS..Hα-helixtrans-68.4-41.2177.5-17365.7000111.1S189 G190 R195 K196 R197 M206 E208 Y213S189-L193 PolarHBondContact O-N 3.4Å; G190-L193 PolarHBondContact O-N 3Å; L193-R195 VanDerWaalsContact C-N 3.31Å; L193-R195 PolarHBondContact O-N 2.64Å; L193-K196 PolarHBondContact O-N 3.01Å; L193-R197 HydrophobicContact CD1-CG 3.9Å; L193-R197 HydrophobicContact CG-CG 4.32Å; L193-R197 WeakPolarHBondContact O-CB 3.43Å; L193-R197 WeakPolarHBondContact O-CG 3.17Å; L193-R197 PolarHBondContact O-N 3.24Å; L193-M206 HydrophobicContact CD2-CG 4.41Å; L193-E208 HydrophobicContact CD2-CB 4.03Å; L193-E208 HydrophobicContact CD2-CG 3.72Å; L193-Y213 HydrophobicContact CD2-CE1 4.5Å
194A98.8Very high98.2Very high0 Ų064.3 Ų64.30%033%0.331CS..Hα-helixtrans-57.4-44.7175.800000111.7G190 E191 R197 N198 F199 P204 M206G190-A194 WeakPolarHBondContact O-CB 3.21Å; G190-A194 PolarHBondContact O-N 3.16Å; E191-A194 PolarHBondContact O-N 3.34Å; A194-R197 PolarHBondContact O-N 2.75Å; A194-N198 PolarHBondContact O-N 2.98Å; A194-N198 VanDerWaalsContact O-N 3.09Å; A194-F199 HydrophobicContact CB-CB 4.22Å; A194-F199 PolarHBondContact O-N 3.34Å; A194-P204 VanDerWaalsContact CB-O 3.23Å; A194-P204 WeakPolarHBondContact CB-O 3.38Å; A194-M206 HydrophobicContact CB-CB 3.91Å
195R98.7Very high98.2Very high141 Ų14160.8 Ų60.853%0.53231%0.314SS..Hα-helixtrans-63.7-49.4175.7-175.6174.566.4-1051112E191 N192 L193 R197 N198 T200E191-R195 WeakPolarHBondContact O-CB 3.43Å; E191-R195 PolarHBondContact O-N 3.44Å; N192-R195 PolarHBondContact OD1-NH1 3.38Å; N192-R195 VanDerWaalsContact OD1-NH1 3.14Å; N192-R195 PolarHBondContact OD1-NH2 2.9Å; L193-R195 VanDerWaalsContact C-N 3.31Å; L193-R195 PolarHBondContact O-N 2.64Å; R195-R197 PolarHBondContact O-N 3.35Å; R195-N198 PolarHBondContact O-N 3.23Å; R195-T200 WeakPolarHBondContact CA-OG1 3.29Å; R195-T200 PolarHBondContact N-OG1 2.79Å
196K98.4Very high98.2Very high159 Ų15958 Ų5869%0.69130%0.295SS*.Hα-helixtrans-60.3-30.3-179-76.9177.4179.7-177.20113.4N192 L193N192-K196 WeakPolarHBondContact O-CB 3.17Å; N192-K196 VanDerWaalsContact O-CG 3.29Å; N192-K196 WeakPolarHBondContact O-CG 3.3Å; N192-K196 PolarHBondContact O-N 3.49Å; L193-K196 PolarHBondContact O-N 3.01Å
197R97.9Very high98.2Very high111 Ų11158.4 Ų58.442%0.41930%0.296SS..THydrogen-bonded Turntrans-105.911-176.1-60.2-69.2-172.598.712.3112.8L193 A194 R195 F199 E208 Y213L193-R197 HydrophobicContact CD1-CG 3.9Å; L193-R197 HydrophobicContact CG-CG 4.32Å; L193-R197 WeakPolarHBondContact O-CB 3.43Å; L193-R197 WeakPolarHBondContact O-CG 3.17Å; L193-R197 PolarHBondContact O-N 3.24Å; A194-R197 PolarHBondContact O-N 2.75Å; R195-R197 PolarHBondContact O-N 3.35Å; R197-F199 VanDerWaalsContact C-N 3.28Å; R197-F199 HydrophobicContact CB-CD2 3.65Å; R197-F199 HydrophobicContact CB-CE2 3.91Å; R197-F199 PolarHBondContact O-N 3.17Å; R197-E208 IonicContact CZ-OE2 3.24Å; R197-E208 VanDerWaalsContact CZ-OE2 3.24Å; R197-E208 IonicContact NH1-OE2 3.26Å; R197-E208 PolarHBondContact NH1-OE2 3.42Å; R197-E208 VanDerWaalsContact NH2-CD 3.26Å; R197-E208 IonicContact NH2-OE1 2.98Å; R197-E208 PolarHBondContact NH2-OE1 3.18Å; R197-E208 IonicContact NH2-OE2 2.72Å; R197-E208 PolarHBondContact NH2-OE2 3.15Å; R197-Y213 VanDerWaalsContact CD-OH 3.29Å; R197-Y213 WeakPolarHBondContact CD-OH 3.47Å; R197-Y213 VanDerWaalsContact CG-OH 3.23Å; R197-Y213 WeakPolarHBondContact CG-OH 3.44Å; R197-Y213 PolarHBondContact NH1-OH 2.94Å
198N97.4Very high98.2Very high146 Ų14661.2 Ų61.278%0.78131%0.31SS*.THydrogen-bonded Turntrans57.333.9178.5-57.2-40.8000114.6A194 R195A194-N198 PolarHBondContact O-N 2.98Å; A194-N198 VanDerWaalsContact O-N 3.09Å; R195-N198 PolarHBondContact O-N 3.23Å
199F97.8Very high98.2Very high29 Ų2960 Ų6013%0.12730%0.299CS..  trans-87.3-17.4174.8-81.3-76.9000113.9A194 R197 A201 K202 S203 M206 Y213 F250 L265A194-F199 HydrophobicContact CB-CB 4.22Å; A194-F199 PolarHBondContact O-N 3.34Å; R197-F199 VanDerWaalsContact C-N 3.28Å; R197-F199 HydrophobicContact CB-CD2 3.65Å; R197-F199 HydrophobicContact CB-CE2 3.91Å; R197-F199 PolarHBondContact O-N 3.17Å; F199-A201 PolarHBondContact O-N 3.1Å; F199-K202 WeakPolarHBondContact O-CA 3.13Å; F199-K202 PolarHBondContact O-N 3.29Å; F199-S203 CarbonylContact C-O 3.58Å; F199-S203 PolarHBondContact O-N 2.96Å; F199-S203 VanDerWaalsContact O-O 3.13Å; F199-M206 HydrophobicContact CB-CB 4.47Å; F199-M206 HydrophobicContact CB-CE 4.46Å; F199-M206 HydrophobicContact CD1-CE 3.95Å; F199-M206 HydrophobicContact CD2-CB 4.39Å; F199-M206 HydrophobicContact CD2-CE 4.41Å; F199-M206 HydrophobicContact CD2-CG 3.86Å; F199-M206 HydrophobicContact CE1-CE 4.28Å; F199-M206 HydrophobicContact CE2-CG 4.19Å; F199-M206 HydrophobicContact CG-CE 4.02Å; F199-M206 HydrophobicContact CG-CG 4.3Å; F199-Y213 HydrophobicContact CE2-CE1 4.22Å; F199-Y213 HydrophobicContact CE2-CE2 4.04Å; F199-Y213 AromaticContact CE2-CZ 3.77Å; F199-Y213 HydrophobicContact CZ-CE2 4.21Å; F199-F250 HydrophobicContact CD1-CE1 4.42Å; F199-F250 HydrophobicContact CD1-CZ 4.21Å; F199-F250 HydrophobicContact CE1-CE1 4.41Å; F199-F250 HydrophobicContact CE1-CZ 4.07Å; F199-L265 HydrophobicContact CE1-CD1 3.74Å; F199-L265 HydrophobicContact CZ-CD1 3.85Å
200T96Very high98.1Very high75 Ų7566.9 Ų66.946%0.4632%0.32SS..THydrogen-bonded Turntrans-52.3-31.8-167.9-50.30000114.5R195 K202R195-T200 WeakPolarHBondContact CA-OG1 3.29Å; R195-T200 PolarHBondContact N-OG1 2.79Å; T200-K202 VanDerWaalsContact C-N 3.34Å
201A96.3Very high98Very high106 Ų10677.8 Ų77.888%0.87636%0.361SS*.THydrogen-bonded Turntrans-71.3-24.6176.600000114.3F199F199-A201 PolarHBondContact O-N 3.1Å
202K96.6Very high98Very high151 Ų15179.1 Ų79.166%0.65737%0.368SS*.THydrogen-bonded Turntrans-104.6-38.8180-61.2-176.8-178.8-179.60112.6F199 T200 F250F199-K202 WeakPolarHBondContact O-CA 3.13Å; F199-K202 PolarHBondContact O-N 3.29Å; T200-K202 VanDerWaalsContact C-N 3.34Å; K202-F250 HydrophobicContact CB-CD2 4.17Å; K202-F250 HydrophobicContact CB-CE2 4.09Å; K202-F250 HydrophobicContact CD-CE2 4.39Å
203S98.4Very high98Very high0 Ų077.4 Ų77.40%036%0.356CS..  trans-147111.1-176.8-170.40000109.2F199 L205 S247F199-S203 CarbonylContact C-O 3.58Å; F199-S203 PolarHBondContact O-N 2.96Å; F199-S203 VanDerWaalsContact O-O 3.13Å; S203-L205 PolarHBondContact O-N 3.14Å; S203-L205 PolarHBondContact OG-O 3.37Å; S203-S247 WeakPolarHBondContact OG-CA 3.21Å; S203-S247 WeakPolarHBondContact OG-CB 3.45Å; S203-S247 PolarHBondContact OG-OG 3.47Å
204P98.8Very high98Very high22 Ų2278 Ų7814%0.14336%0.357CS..SBendtrans-58.8-30.7178.8-27.434.8000114A194 L243 P246 S247A194-P204 VanDerWaalsContact CB-O 3.23Å; A194-P204 WeakPolarHBondContact CB-O 3.38Å; P204-L243 HydrophobicContact CB-CD2 3.98Å; P204-P246 HydrophobicContact CG-CB 4Å; P204-P246 HydrophobicContact CG-CG 4.25Å; P204-S247 WeakPolarHBondContact CD-OG 3.3Å
205L98.9Very high98Very high0 Ų078 Ų780%036%0.357CS..  trans-112.1143.4175.8-58.5172.8000110.1L187 E191 S203 Y207 Y225 L228 L243 V244 S247L187-L205 HydrophobicContact CD2-CD1 4.03Å; L187-L205 HydrophobicContact CD2-CD2 4.48Å; E191-L205 HydrophobicContact CB-CD2 4.44Å; E191-L205 HydrophobicContact CG-CD2 3.51Å; S203-L205 PolarHBondContact O-N 3.14Å; S203-L205 PolarHBondContact OG-O 3.37Å; L205-Y207 HydrophobicContact CB-CE2 4.05Å; L205-Y225 HydrophobicContact CB-CE1 3.9Å; L205-Y225 HydrophobicContact CD1-CE1 4Å; L205-Y225 PolarHBondContact O-OH 3.35Å; L205-L228 HydrophobicContact CD1-CD1 4.08Å; L205-L243 HydrophobicContact CD1-CB 4.08Å; L205-L243 HydrophobicContact CD2-CB 4.33Å; L205-L243 HydrophobicContact CG-CB 4.11Å; L205-V244 HydrophobicContact CD1-CG2 4.12Å; L205-S247 WeakPolarHBondContact CB-OG 3.48Å; L205-S247 PolarHBondContact N-OG 3Å
206M98.8Very high97.9Very high0 Ų071.3 Ų71.30%033%0.332CS..  trans-144.2147170.9-170.648.257.300110.4G190 L193 A194 F199 Y213 L221 F250G190-M206 WeakPolarHBondContact CA-O 3.19Å; G190-M206 PolarHBondContact O-N 3.22Å; G190-M206 VanDerWaalsContact O-N 3.11Å; L193-M206 HydrophobicContact CD2-CG 4.41Å; A194-M206 HydrophobicContact CB-CB 3.91Å; F199-M206 HydrophobicContact CB-CB 4.47Å; F199-M206 HydrophobicContact CB-CE 4.46Å; F199-M206 HydrophobicContact CD1-CE 3.95Å; F199-M206 HydrophobicContact CD2-CB 4.39Å; F199-M206 HydrophobicContact CD2-CE 4.41Å; F199-M206 HydrophobicContact CD2-CG 3.86Å; F199-M206 HydrophobicContact CE1-CE 4.28Å; F199-M206 HydrophobicContact CE2-CG 4.19Å; F199-M206 HydrophobicContact CG-CE 4.02Å; F199-M206 HydrophobicContact CG-CG 4.3Å; M206-Y213 HydrophobicContact CG-CD1 3.92Å; M206-Y213 HydrophobicContact CG-CE1 3.88Å; M206-Y213 HydrophobicContact SD-CD1 3.88Å; M206-Y213 HydrophobicContact SD-CE1 4.41Å; M206-Y213 HydrophobicContact SD-CG 4.46Å; M206-L221 HydrophobicContact CE-CD1 4.28Å; M206-L221 HydrophobicContact SD-CD1 4.1Å; M206-L221 HydrophobicContact SD-CD2 3.98Å; M206-F250 HydrophobicContact CE-CD1 3.95Å; M206-F250 HydrophobicContact CE-CE1 3.55Å
207Y98.9Very high98Very high7 Ų763.7 Ų63.73%0.02730%0.299CS..  trans-137.4148.6179.6-57.5-79.6000110.7N149 I186 G190 L205 Y213 L221 I224 Y225N149-Y207 HydrophobicContact CB-CD1 3.78Å; N149-Y207 HydrophobicContact CB-CE1 4.11Å; N149-Y207 WeakPolarHBondContact ND2-CD1 3.42Å; I186-Y207 HydrophobicContact CG2-CE1 3.9Å; I186-Y207 VanDerWaalsContact O-CE1 3.31Å; I186-Y207 WeakPolarHBondContact O-CE1 3.1Å; I186-Y207 PolarHBondContact O-OH 2.89Å; G190-Y207 VanDerWaalsContact CA-CE1 3.41Å; L205-Y207 HydrophobicContact CB-CE2 4.05Å; Y207-Y213 WeakPolarHBondContact O-CD1 3.41Å; Y207-L221 HydrophobicContact CD2-CD2 3.8Å; Y207-L221 HydrophobicContact CG-CD2 4.37Å; Y207-I224 HydrophobicContact CD1-CD1 4Å; Y207-I224 HydrophobicContact CD2-CB 4.31Å; Y207-I224 HydrophobicContact CD2-CD1 3.73Å; Y207-I224 HydrophobicContact CD2-CG2 3.89Å; Y207-I224 HydrophobicContact CE1-CG2 4.35Å; Y207-I224 HydrophobicContact CE2-CB 4.39Å; Y207-I224 HydrophobicContact CE2-CD1 4.45Å; Y207-I224 HydrophobicContact CE2-CG2 3.53Å; Y207-I224 HydrophobicContact CG-CD1 3.47Å; Y207-I224 VanDerWaalsContact CG-CD1 3.47Å; Y207-I224 HydrophobicContact CG-CG2 4.44Å; Y207-Y225 HydrophobicContact CD2-CE1 4.21Å; Y207-Y225 HydrophobicContact CE2-CD1 4.46Å; Y207-Y225 AromaticContact CE2-CE1 3.68Å; Y207-Y225 HydrophobicContact CE2-CE1 3.68Å
208E98.3Very high98Very high64 Ų6458.4 Ų58.430%0.29928%0.279SS..  trans-135.7150.917570.1-172.4-176.400109.8L193 R197 E212 Y213L193-E208 HydrophobicContact CD2-CB 4.03Å; L193-E208 HydrophobicContact CD2-CG 3.72Å; R197-E208 IonicContact CZ-OE2 3.24Å; R197-E208 VanDerWaalsContact CZ-OE2 3.24Å; R197-E208 IonicContact NH1-OE2 3.26Å; R197-E208 PolarHBondContact NH1-OE2 3.42Å; R197-E208 VanDerWaalsContact NH2-CD 3.26Å; R197-E208 IonicContact NH2-OE1 2.98Å; R197-E208 PolarHBondContact NH2-OE1 3.18Å; R197-E208 IonicContact NH2-OE2 2.72Å; R197-E208 PolarHBondContact NH2-OE2 3.15Å; E208-E212 VanDerWaalsContact CA-O 3.27Å; E208-E212 WeakPolarHBondContact CA-O 3.48Å; E208-E212 WeakPolarHBondContact CB-O 3.46Å; E208-Y213 HydrophobicContact CB-CD1 3.97Å; E208-Y213 HydrophobicContact CB-CE1 4.09Å
209W98.6Very high98.1Very high56 Ų5652.7 Ų52.721%0.21225%0.247CC..BIsolated β-bridgetrans-139.3141167.8176.379.2000107.7E150 Y153 R211 E212 Y214 H219E150-W209 HydrophobicContact CG-CB 3.82Å; E150-W209 HydrophobicContact CG-CG 3.85Å; Y153-W209 AromaticContact CD2-CE2 3.99Å; Y153-W209 AromaticContact CD2-CZ2 3.75Å; Y153-W209 HydrophobicContact CD2-CZ2 3.75Å; Y153-W209 AromaticContact CD2-NE1 3.96Å; Y153-W209 HydrophobicContact CE2-CH2 4.47Å; Y153-W209 AromaticContact CE2-CZ2 3.85Å; Y153-W209 HydrophobicContact CE2-CZ2 3.85Å; W209-R211 PolarHBondContact O-N 3.2Å; W209-R211 VanDerWaalsContact O-N 3.1Å; W209-E212 PolarHBondContact N-O 3.48Å; W209-E212 PolarHBondContact O-N 3.06Å; W209-Y214 HydrophobicContact CB-CD2 4.2Å; W209-Y214 HydrophobicContact CD2-CE2 4.38Å; W209-Y214 AromaticContact CE3-CD2 3.87Å; W209-Y214 HydrophobicContact CE3-CD2 3.87Å; W209-Y214 AromaticContact CE3-CE2 3.32Å; W209-Y214 HydrophobicContact CE3-CE2 3.32Å; W209-Y214 AromaticContact CE3-CZ 3.93Å; W209-Y214 AromaticContact CZ3-CE2 3.88Å; W209-Y214 HydrophobicContact CZ3-CE2 3.88Å; W209-Y214 WeakPolarHBondContact O-CD2 3.44Å; W209-Y214 VanDerWaalsContact O-CE2 3.22Å; W209-Y214 WeakPolarHBondContact O-CE2 3.44Å; W209-H219 AromaticContact CD2-ND1 3.95Å; W209-H219 HydrophobicContact CE3-CB 3.85Å; W209-H219 AromaticContact CE3-CG 3.61Å; W209-H219 AromaticContact CE3-ND1 3.62Å; W209-H219 AromaticContact CH2-CE1 3.74Å; W209-H219 HydrophobicContact CZ3-CB 4.41Å; W209-H219 AromaticContact CZ3-CD2 3.8Å; W209-H219 AromaticContact CZ3-CE1 3.7Å; W209-H219 AromaticContact CZ3-CG 3.75Å; W209-H219 AromaticContact CZ3-ND1 3.71Å; W209-H219 AromaticContact CZ3-NE2 3.8Å
210Y96.6Very high98.1Very high184 Ų18451.5 Ų51.572%0.72224%0.243SC*.THydrogen-bonded Turntrans48.141.5-178.6-152.9-115.8000114.3E212Y210-E212 PolarHBondContact O-N 2.88Å
211R96.4Very high98.2Very high229 Ų22947.9 Ų47.986%0.86422%0.221SC*.THydrogen-bonded Turntrans67.212.3179.7-52.1178-179.61780.2115.9W209W209-R211 PolarHBondContact O-N 3.2Å; W209-R211 VanDerWaalsContact O-N 3.1Å
212E98.2Very high98.4Very high92 Ų9242.9 Ų42.943%0.4318%0.179SC..BIsolated β-bridgetrans-121.1146.5-179.3-67.2-66.216400111.6E208 W209 Y210 Y214E208-E212 VanDerWaalsContact CA-O 3.27Å; E208-E212 WeakPolarHBondContact CA-O 3.48Å; E208-E212 WeakPolarHBondContact CB-O 3.46Å; W209-E212 PolarHBondContact N-O 3.48Å; W209-E212 PolarHBondContact O-N 3.06Å; Y210-E212 PolarHBondContact O-N 2.88Å; E212-Y214 VanDerWaalsContact C-N 3.34Å; E212-Y214 HydrophobicContact CB-CD2 3.9Å; E212-Y214 HydrophobicContact CB-CE2 3.59Å; E212-Y214 HydrophobicContact CG-CE2 4.37Å; E212-Y214 PolarHBondContact O-N 3.3Å
213Y98.5Very high98.5Very high29 Ų2935.7 Ų35.711%0.11415%0.148CC..  trans-86.574.9171.8-58.1-62.4000110L193 R197 F199 M206 Y207 E208 C264 L265L193-Y213 HydrophobicContact CD2-CE1 4.5Å; R197-Y213 VanDerWaalsContact CD-OH 3.29Å; R197-Y213 WeakPolarHBondContact CD-OH 3.47Å; R197-Y213 VanDerWaalsContact CG-OH 3.23Å; R197-Y213 WeakPolarHBondContact CG-OH 3.44Å; R197-Y213 PolarHBondContact NH1-OH 2.94Å; F199-Y213 HydrophobicContact CE2-CE1 4.22Å; F199-Y213 HydrophobicContact CE2-CE2 4.04Å; F199-Y213 AromaticContact CE2-CZ 3.77Å; F199-Y213 HydrophobicContact CZ-CE2 4.21Å; M206-Y213 HydrophobicContact CG-CD1 3.92Å; M206-Y213 HydrophobicContact CG-CE1 3.88Å; M206-Y213 HydrophobicContact SD-CD1 3.88Å; M206-Y213 HydrophobicContact SD-CE1 4.41Å; M206-Y213 HydrophobicContact SD-CG 4.46Å; Y207-Y213 WeakPolarHBondContact O-CD1 3.41Å; E208-Y213 HydrophobicContact CB-CD1 3.97Å; E208-Y213 HydrophobicContact CB-CE1 4.09Å; Y213-C264 CarbonylContact O-C 3.42Å; Y213-C264 VanDerWaalsContact O-CA 3.23Å; Y213-C264 WeakPolarHBondContact O-CA 3.05Å; Y213-L265 HydrophobicContact CD2-CB 4.46Å; Y213-L265 PolarHBondContact O-N 3Å
214Y98.9Very high98.5Very high37 Ų3735.8 Ų35.815%0.14515%0.148CC..BIsolated β-bridgetrans-62.3138.2179.8-77.4-76.8000112.1W209 E212 H219 G220 L221 S263 C264 H277W209-Y214 HydrophobicContact CB-CD2 4.2Å; W209-Y214 HydrophobicContact CD2-CE2 4.38Å; W209-Y214 AromaticContact CE3-CD2 3.87Å; W209-Y214 HydrophobicContact CE3-CD2 3.87Å; W209-Y214 AromaticContact CE3-CE2 3.32Å; W209-Y214 HydrophobicContact CE3-CE2 3.32Å; W209-Y214 AromaticContact CE3-CZ 3.93Å; W209-Y214 AromaticContact CZ3-CE2 3.88Å; W209-Y214 HydrophobicContact CZ3-CE2 3.88Å; W209-Y214 WeakPolarHBondContact O-CD2 3.44Å; W209-Y214 VanDerWaalsContact O-CE2 3.22Å; W209-Y214 WeakPolarHBondContact O-CE2 3.44Å; E212-Y214 VanDerWaalsContact C-N 3.34Å; E212-Y214 HydrophobicContact CB-CD2 3.9Å; E212-Y214 HydrophobicContact CB-CE2 3.59Å; E212-Y214 HydrophobicContact CG-CE2 4.37Å; E212-Y214 PolarHBondContact O-N 3.3Å; Y214-H219 WeakPolarHBondContact CB-O 3.25Å; Y214-H219 HydrophobicContact CD1-CB 4.06Å; Y214-H219 HydrophobicContact CD2-CB 3.84Å; Y214-H219 HydrophobicContact CE2-CB 4.35Å; Y214-H219 HydrophobicContact CG-CB 3.66Å; Y214-G220 CarbonylContact O-C 3.53Å; Y214-G220 WeakPolarHBondContact O-CA 3.41Å; Y214-L221 WeakPolarHBondContact O-CG 3.31Å; Y214-L221 PolarHBondContact O-N 3.36Å; Y214-S263 WeakPolarHBondContact CA-O 3.24Å; Y214-C264 VanDerWaalsContact CD1-SG 3.55Å; Y214-H277 AromaticContact CD1-CE1 3.5Å; Y214-H277 AromaticContact CD1-ND1 3.94Å; Y214-H277 AromaticContact CE1-CE1 3.57Å
215V98.8Very high98.5Very high0 Ų034.7 Ų34.70%014%0.142CC..  trans-98.1-38-178.1176.30000112.3S222 V251 M254 P262 S263V215-S222 WeakPolarHBondContact O-CB 3.32Å; V215-S222 PolarHBondContact O-N 3.4Å; V215-V251 HydrophobicContact CG1-CG1 4.02Å; V215-M254 HydrophobicContact CG1-SD 4.32Å; V215-M254 HydrophobicContact CG2-SD 3.57Å; V215-M254 VanDerWaalsContact CG2-SD 3.57Å; V215-P262 WeakPolarHBondContact CB-O 3.5Å; V215-P262 HydrophobicContact CG2-CG 4.26Å; V215-S263 PolarHBondContact N-O 3.36Å
216G98.3Very high98.5Very high0 Ų035.2 Ų35.20%014%0.144CC..SBendtrans-68.6-176.8-171.900000116.1G220 C276G216-G220 CarbonylContact O-C 3.16Å; G216-G220 VanDerWaalsContact O-C 3.26Å; G216-G220 WeakPolarHBondContact O-CA 3.47Å; G216-G220 PolarHBondContact O-N 3.24Å; G216-G220 VanDerWaalsContact O-N 3.12Å; G216-C276 WeakPolarHBondContact CA-O 3.41Å
217A98.8Very high98.5Very high0 Ų035.2 Ų35.20%014%0.144CC..THydrogen-bonded Turntrans-76.5-34.8-172.400000114.3W275 C276 F397A217-W275 HydrophobicContact CB-CZ2 4.46Å; A217-W275 WeakPolarHBondContact CB-O 3.39Å; A217-C276 PolarHBondContact N-O 3.28Å; A217-F397 HydrophobicContact CB-CE2 4.13Å; A217-F397 HydrophobicContact CB-CZ 3.89Å
218A98.6Very high98.5Very high0 Ų035 Ų350%014%0.143CC..THydrogen-bonded Turntrans-69.2-51.7-175.500000111.9M151 L152 W275 C276M151-A218 WeakPolarHBondContact CA-O 3.31Å; M151-A218 WeakPolarHBondContact CB-O 3.03Å; M151-A218 PolarHBondContact N-O 3.42Å; L152-A218 HydrophobicContact CD1-CB 4.44Å; L152-A218 HydrophobicContact CG-CB 4.24Å; A218-W275 HydrophobicContact CB-CE3 4.3Å; A218-W275 HydrophobicContact CB-CH2 4.03Å; A218-W275 HydrophobicContact CB-CZ3 3.73Å; A218-C276 HydrophobicContact CB-CB 3.53Å
219H98.6Very high98.5Very high26 Ų2632.1 Ų32.112%0.1213%0.129CC..THydrogen-bonded Turntrans-114.71.4-170.4-65.4-54.7000114.3E150 L152 W209 Y214E150-H219 VanDerWaalsContact CB-O 3.24Å; E150-H219 WeakPolarHBondContact CB-O 3.17Å; E150-H219 HydrophobicContact CG-CB 4.34Å; E150-H219 WeakPolarHBondContact CG-O 3.5Å; E150-H219 IonicContact OE2-CE1 3.34Å; E150-H219 IonicContact OE2-CG 2.88Å; E150-H219 IonicContact OE2-ND1 2.99Å; E150-H219 PolarHBondContact OE2-ND1 3.49Å; L152-H219 VanDerWaalsContact CD1-CE1 3.42Å; L152-H219 WeakPolarHBondContact CD1-CE1 3.4Å; W209-H219 AromaticContact CD2-ND1 3.95Å; W209-H219 HydrophobicContact CE3-CB 3.85Å; W209-H219 AromaticContact CE3-CG 3.61Å; W209-H219 AromaticContact CE3-ND1 3.62Å; W209-H219 AromaticContact CH2-CE1 3.74Å; W209-H219 HydrophobicContact CZ3-CB 4.41Å; W209-H219 AromaticContact CZ3-CD2 3.8Å; W209-H219 AromaticContact CZ3-CE1 3.7Å; W209-H219 AromaticContact CZ3-CG 3.75Å; W209-H219 AromaticContact CZ3-ND1 3.71Å; W209-H219 AromaticContact CZ3-NE2 3.8Å; Y214-H219 WeakPolarHBondContact CB-O 3.25Å; Y214-H219 HydrophobicContact CD1-CB 4.06Å; Y214-H219 HydrophobicContact CD2-CB 3.84Å; Y214-H219 HydrophobicContact CE2-CB 4.35Å; Y214-H219 HydrophobicContact CG-CB 3.66Å
220G98.5Very high98.5Very high3 Ų330.4 Ų30.43%0.03112%0.124CC..SBendtrans-132.8-175-155.100000117.2Y214 G216 S222 G223 I224Y214-G220 CarbonylContact O-C 3.53Å; Y214-G220 WeakPolarHBondContact O-CA 3.41Å; G216-G220 CarbonylContact O-C 3.16Å; G216-G220 VanDerWaalsContact O-C 3.26Å; G216-G220 WeakPolarHBondContact O-CA 3.47Å; G216-G220 PolarHBondContact O-N 3.24Å; G216-G220 VanDerWaalsContact O-N 3.12Å; G220-S222 VanDerWaalsContact C-N 3.31Å; G220-S222 PolarHBondContact O-N 3Å; G220-G223 PolarHBondContact O-N 3.36Å; G220-I224 PolarHBondContact O-N 3.12Å
221L98.9Very high98.6Very high0 Ų026.5 Ų26.50%012%0.121CC..Hα-helixtrans-53.7-44.5-176.4-62.6-177000112.5M206 Y207 Y214 G223 I224 Y225 V251 M254M206-L221 HydrophobicContact CE-CD1 4.28Å; M206-L221 HydrophobicContact SD-CD1 4.1Å; M206-L221 HydrophobicContact SD-CD2 3.98Å; Y207-L221 HydrophobicContact CD2-CD2 3.8Å; Y207-L221 HydrophobicContact CG-CD2 4.37Å; Y214-L221 WeakPolarHBondContact O-CG 3.31Å; Y214-L221 PolarHBondContact O-N 3.36Å; L221-G223 VanDerWaalsContact C-N 3.34Å; L221-G223 PolarHBondContact O-N 3.32Å; L221-I224 PolarHBondContact O-N 3.29Å; L221-Y225 HydrophobicContact CB-CD2 4.04Å; L221-Y225 HydrophobicContact CB-CE2 3.64Å; L221-Y225 HydrophobicContact CD1-CE2 4.4Å; L221-Y225 HydrophobicContact CD2-CE2 4.18Å; L221-Y225 HydrophobicContact CG-CE2 4.26Å; L221-Y225 WeakPolarHBondContact O-CB 3.47Å; L221-Y225 WeakPolarHBondContact O-CD2 3.36Å; L221-Y225 VanDerWaalsContact O-CG 3.29Å; L221-Y225 PolarHBondContact O-N 3.49Å; L221-V251 HydrophobicContact CB-CG2 3.68Å; L221-V251 HydrophobicContact CD1-CG2 3.76Å; L221-V251 HydrophobicContact CG-CG2 4.37Å; L221-M254 HydrophobicContact CD1-CE 4.34Å
222S98.9Very high98.6Very high0 Ų017.4 Ų17.40%09%0.093CC..Hα-helixtrans-59-44.3-179.3177.50000112.5V215 G220 Y226 G281 V282 M285V215-S222 WeakPolarHBondContact O-CB 3.32Å; V215-S222 PolarHBondContact O-N 3.4Å; G220-S222 VanDerWaalsContact C-N 3.31Å; G220-S222 PolarHBondContact O-N 3Å; S222-Y226 WeakPolarHBondContact O-CB 3.4Å; S222-Y226 PolarHBondContact O-N 3.39Å; S222-G281 PolarHBondContact OG-O 2.93Å; S222-V282 WeakPolarHBondContact OG-CA 3.5Å; S222-M285 WeakPolarHBondContact OG-CB 3.11Å
223G98.9Very high98.6Very high0 Ų013.1 Ų13.10%07%0.072CC..Hα-helixtrans-63.7-47177.900000111I156 G220 L221 Y226 Y227I156-G223 VanDerWaalsContact CD1-C 3.5Å; G220-G223 PolarHBondContact O-N 3.36Å; L221-G223 VanDerWaalsContact C-N 3.34Å; L221-G223 PolarHBondContact O-N 3.32Å; G223-Y226 PolarHBondContact O-N 2.88Å; G223-Y227 WeakPolarHBondContact O-CD2 3.16Å; G223-Y227 PolarHBondContact O-N 2.79Å
224I98.9Very high98.6Very high2 Ų217 Ų171%0.019%0.092CC..Hα-helixtrans-63.6-48.2-178.5-61.9166.7000111.3N149 E150 I156 I186 Y207 G220 L221 Y227 L228N149-I224 HydrophobicContact CB-CD1 3.78Å; N149-I224 HydrophobicContact CB-CG1 4.39Å; E150-I224 HydrophobicContact CB-CD1 4.46Å; I156-I224 HydrophobicContact CD1-CB 4.46Å; I156-I224 HydrophobicContact CD1-CG1 3.87Å; I186-I224 HydrophobicContact CG2-CG2 3.97Å; Y207-I224 HydrophobicContact CD1-CD1 4Å; Y207-I224 HydrophobicContact CD2-CB 4.31Å; Y207-I224 HydrophobicContact CD2-CD1 3.73Å; Y207-I224 HydrophobicContact CD2-CG2 3.89Å; Y207-I224 HydrophobicContact CE1-CG2 4.35Å; Y207-I224 HydrophobicContact CE2-CB 4.39Å; Y207-I224 HydrophobicContact CE2-CD1 4.45Å; Y207-I224 HydrophobicContact CE2-CG2 3.53Å; Y207-I224 HydrophobicContact CG-CD1 3.47Å; Y207-I224 VanDerWaalsContact CG-CD1 3.47Å; Y207-I224 HydrophobicContact CG-CG2 4.44Å; G220-I224 PolarHBondContact O-N 3.12Å; L221-I224 PolarHBondContact O-N 3.29Å; I224-Y227 PolarHBondContact O-N 3.39Å; I224-L228 HydrophobicContact CG2-CD1 4Å; I224-L228 HydrophobicContact CG2-CG 4.39Å; I224-L228 WeakPolarHBondContact O-CG 3.06Å; I224-L228 PolarHBondContact O-N 3.01Å
225Y98.9Very high98.6Very high0 Ų016 Ų160%09%0.09CC..Hα-helixtrans-69.1-35.2-179.7-60.7-37.7000112.6L205 Y207 L221 Y227 L228 M229 S247 V248 V251 M285L205-Y225 HydrophobicContact CB-CE1 3.9Å; L205-Y225 HydrophobicContact CD1-CE1 4Å; L205-Y225 PolarHBondContact O-OH 3.35Å; Y207-Y225 HydrophobicContact CD2-CE1 4.21Å; Y207-Y225 HydrophobicContact CE2-CD1 4.46Å; Y207-Y225 AromaticContact CE2-CE1 3.68Å; Y207-Y225 HydrophobicContact CE2-CE1 3.68Å; L221-Y225 HydrophobicContact CB-CD2 4.04Å; L221-Y225 HydrophobicContact CB-CE2 3.64Å; L221-Y225 HydrophobicContact CD1-CE2 4.4Å; L221-Y225 HydrophobicContact CD2-CE2 4.18Å; L221-Y225 HydrophobicContact CG-CE2 4.26Å; L221-Y225 WeakPolarHBondContact O-CB 3.47Å; L221-Y225 WeakPolarHBondContact O-CD2 3.36Å; L221-Y225 VanDerWaalsContact O-CG 3.29Å; L221-Y225 PolarHBondContact O-N 3.49Å; Y225-Y227 VanDerWaalsContact C-N 3.26Å; Y225-Y227 PolarHBondContact O-N 3.29Å; Y225-L228 HydrophobicContact CD1-CD1 4.19Å; Y225-L228 PolarHBondContact O-N 2.76Å; Y225-M229 WeakPolarHBondContact O-CE 3.48Å; Y225-M229 WeakPolarHBondContact O-CG 3.33Å; Y225-M229 PolarHBondContact O-N 2.9Å; Y225-M229 VanDerWaalsContact O-N 3.09Å; Y225-S247 WeakPolarHBondContact CE2-O 3.38Å; Y225-S247 VanDerWaalsContact CZ-CB 3.42Å; Y225-S247 WeakPolarHBondContact OH-CB 3.47Å; Y225-V248 HydrophobicContact CD2-CG2 4.15Å; Y225-V248 HydrophobicContact CG-CG2 3.99Å; Y225-V251 HydrophobicContact CD2-CG2 3.96Å; Y225-V251 HydrophobicContact CE2-CG2 3.7Å; Y225-M285 HydrophobicContact CD2-SD 4.08Å
226Y98.9Very high98.5Very high11 Ų1118.8 Ų18.84%0.04311%0.109CC..Hα-helixtrans-53.9-45.8170.6168.4-106.4000111.2S222 G223 Q230 Y284 Q288 F397 L399S222-Y226 WeakPolarHBondContact O-CB 3.4Å; S222-Y226 PolarHBondContact O-N 3.39Å; G223-Y226 PolarHBondContact O-N 2.88Å; Y226-Q230 VanDerWaalsContact CZ-NE2 3.29Å; Y226-Q230 WeakPolarHBondContact O-CG 3.13Å; Y226-Q230 PolarHBondContact O-NE2 3.05Å; Y226-Y284 VanDerWaalsContact CD2-O 3.3Å; Y226-Y284 WeakPolarHBondContact CD2-O 3.49Å; Y226-Q288 HydrophobicContact CD2-CB 3.65Å; Y226-Q288 HydrophobicContact CD2-CG 4.13Å; Y226-Q288 HydrophobicContact CE2-CB 3.98Å; Y226-Q288 HydrophobicContact CE2-CG 4.37Å; Y226-F397 HydrophobicContact CD1-CE1 4.17Å; Y226-F397 HydrophobicContact CD1-CE2 4.07Å; Y226-F397 AromaticContact CD1-CZ 3.66Å; Y226-F397 HydrophobicContact CD1-CZ 3.66Å; Y226-F397 HydrophobicContact CE1-CE1 4.22Å; Y226-F397 HydrophobicContact CE1-CZ 4.13Å; Y226-F397 HydrophobicContact CG-CZ 4.22Å; Y226-L399 PolarHBondContact OH-N 3.23Å
227Y98.9Very high98.5Very high0 Ų024.7 Ų24.70%014%0.137CC..Hα-helixtrans-68.9-45.3177.3-87.7-105000112.6M151 I156 I159 F160 G223 I224 Y225 M229 Q230 L233 F397 L399M151-Y227 HydrophobicContact SD-CE2 4.17Å; I156-Y227 HydrophobicContact CB-CD1 4.15Å; I156-Y227 HydrophobicContact CB-CD2 4.31Å; I156-Y227 HydrophobicContact CB-CG 3.97Å; I156-Y227 HydrophobicContact CD1-CD2 4.2Å; I156-Y227 HydrophobicContact CG2-CG 4.19Å; I159-Y227 HydrophobicContact CG2-CD1 4.02Å; I159-Y227 HydrophobicContact CG2-CE1 4.24Å; F160-Y227 HydrophobicContact CB-CE1 4.25Å; F160-Y227 WeakPolarHBondContact CD2-OH 3.36Å; G223-Y227 WeakPolarHBondContact O-CD2 3.16Å; G223-Y227 PolarHBondContact O-N 2.79Å; I224-Y227 PolarHBondContact O-N 3.39Å; Y225-Y227 VanDerWaalsContact C-N 3.26Å; Y225-Y227 PolarHBondContact O-N 3.29Å; Y227-M229 PolarHBondContact O-N 3.23Å; Y227-M229 VanDerWaalsContact O-N 3.11Å; Y227-Q230 WeakPolarHBondContact O-CB 3.31Å; Y227-Q230 WeakPolarHBondContact O-CG 3.34Å; Y227-Q230 PolarHBondContact O-N 3.13Å; Y227-L233 WeakPolarHBondContact O-CD2 3.27Å; Y227-F397 HydrophobicContact CE2-CD2 4.04Å; Y227-F397 AromaticContact CE2-CE2 3.96Å; Y227-F397 HydrophobicContact CE2-CE2 3.96Å; Y227-F397 PolarHBondContact OH-O 2.75Å; Y227-L399 HydrophobicContact CD1-CD1 4.48Å; Y227-L399 HydrophobicContact CE1-CD1 4.07Å
228L98.9Very high98.5Very high1 Ų128.1 Ų28.11%0.00517%0.165CC..Hα-helixtrans-61.6-22.6179.6-70.9174.9000113.4I186 L187 L205 I224 Y225 V235 V244I186-L228 HydrophobicContact CG2-CD1 4.45Å; I186-L228 HydrophobicContact CG2-CD2 4.28Å; L187-L228 HydrophobicContact CD2-CD1 3.96Å; L187-L228 HydrophobicContact CD2-CD2 3.96Å; L187-L228 HydrophobicContact CG-CD2 3.99Å; L205-L228 HydrophobicContact CD1-CD1 4.08Å; I224-L228 HydrophobicContact CG2-CD1 4Å; I224-L228 HydrophobicContact CG2-CG 4.39Å; I224-L228 WeakPolarHBondContact O-CG 3.06Å; I224-L228 PolarHBondContact O-N 3.01Å; Y225-L228 HydrophobicContact CD1-CD1 4.19Å; Y225-L228 PolarHBondContact O-N 2.76Å; L228-V235 HydrophobicContact CD2-CG2 4.28Å; L228-V235 VanDerWaalsContact O-CG2 3.31Å; L228-V235 WeakPolarHBondContact O-CG2 3.49Å; L228-V244 HydrophobicContact CB-CG1 4.22Å; L228-V244 HydrophobicContact CB-CG2 4.13Å; L228-V244 HydrophobicContact CD1-CG2 4.38Å
229M98.9Very high98.5Very high4 Ų431.5 Ų31.52%0.0218%0.18CC..THydrogen-bonded Turntrans-880.6173.4-67.6-173.1-67.600113.9Y225 Y227 L240 V244 V248 M285 Q288 A289 V292 F293Y225-M229 WeakPolarHBondContact O-CE 3.48Å; Y225-M229 WeakPolarHBondContact O-CG 3.33Å; Y225-M229 PolarHBondContact O-N 2.9Å; Y225-M229 VanDerWaalsContact O-N 3.09Å; Y227-M229 PolarHBondContact O-N 3.23Å; Y227-M229 VanDerWaalsContact O-N 3.11Å; M229-L240 HydrophobicContact CG-CD2 4.49Å; M229-V244 HydrophobicContact CG-CG1 3.75Å; M229-V248 HydrophobicContact CE-CG2 4.02Å; M229-V248 HydrophobicContact SD-CG2 4.05Å; M229-M285 HydrophobicContact CE-CG 3.75Å; M229-M285 WeakPolarHBondContact CE-O 3.48Å; M229-Q288 HydrophobicContact CB-CG 3.57Å; M229-Q288 HydrophobicContact CE-CB 4.08Å; M229-Q288 HydrophobicContact CE-CG 4.16Å; M229-Q288 PolarHBondContact O-NE2 3.22Å; M229-A289 HydrophobicContact CE-CB 3.98Å; M229-A289 HydrophobicContact SD-CB 3.87Å; M229-V292 HydrophobicContact CB-CG2 4.25Å; M229-V292 WeakPolarHBondContact O-CG2 3.21Å; M229-F293 HydrophobicContact CG-CE2 4.38Å; M229-F293 HydrophobicContact CG-CZ 4.5Å; M229-F293 HydrophobicContact SD-CD2 4.31Å; M229-F293 HydrophobicContact SD-CE2 3.49Å; M229-F293 WeakPolarHBondContact SD-CE2 3.38Å; M229-F293 HydrophobicContact SD-CZ 4.16Å
230Q98.8Very high98.5Very high20 Ų2030.8 Ų30.89%0.09318%0.177CC..  trans-75.7130.1177.1-64.8-62.2-38.300110.6Y226 Y227 S232 L233 L399Y226-Q230 VanDerWaalsContact CZ-NE2 3.29Å; Y226-Q230 WeakPolarHBondContact O-CG 3.13Å; Y226-Q230 PolarHBondContact O-NE2 3.05Å; Y227-Q230 WeakPolarHBondContact O-CB 3.31Å; Y227-Q230 WeakPolarHBondContact O-CG 3.34Å; Y227-Q230 PolarHBondContact O-N 3.13Å; Q230-S232 PolarHBondContact O-N 3.31Å; Q230-S232 VanDerWaalsContact O-N 3.15Å; Q230-L233 HydrophobicContact CB-CD1 4.36Å; Q230-L233 PolarHBondContact O-N 3.48Å; Q230-L399 HydrophobicContact CB-CD1 4.4Å; Q230-L399 HydrophobicContact CG-CD1 3.81Å
231P97.7Very high98.5Very high102 Ų10235.4 Ų35.466%0.66220%0.197SC*.G310 helixtrans-56.7-31.5176.9-26.535000113.6L233 Q234P231-L233 PolarHBondContact O-N 3.17Å; P231-Q234 PolarHBondContact O-N 3.36Å
232S97Very high98.5Very high39 Ų3938.6 Ų38.627%0.27322%0.22SC..G310 helixtrans-62.8-19.9177.853.20000114Q176 Q230Q176-S232 PolarHBondContact NE2-O 2.85Å; Q230-S232 PolarHBondContact O-N 3.31Å; Q230-S232 VanDerWaalsContact O-N 3.15Å
233L98Very high98.5Very high1 Ų139.5 Ų39.51%0.00522%0.224CC..G310 helixtrans-89.6-9.1176.4-90.263.2000113.1I159 L163 I179 C183 Y227 Q230 P231 V235I159-L233 HydrophobicContact CD1-CD2 4.08Å; I159-L233 HydrophobicContact CG2-CD1 3.85Å; I159-L233 HydrophobicContact CG2-CD2 4.45Å; I159-L233 HydrophobicContact CG2-CG 4.49Å; L163-L233 HydrophobicContact CD1-CD1 3.95Å; I179-L233 HydrophobicContact CG2-CD1 4.35Å; I179-L233 HydrophobicContact CG2-CG 4.47Å; C183-L233 HydrophobicContact CB-CD2 4.38Å; C183-L233 HydrophobicContact CB-CG 4.36Å; Y227-L233 WeakPolarHBondContact O-CD2 3.27Å; Q230-L233 HydrophobicContact CB-CD1 4.36Å; Q230-L233 PolarHBondContact O-N 3.48Å; P231-L233 PolarHBondContact O-N 3.17Å; L233-V235 HydrophobicContact CB-CG2 4.5Å; L233-V235 PolarHBondContact O-N 2.89Å; L233-V235 VanDerWaalsContact O-N 3.11Å
234Q97.9Very high98.5Very high110 Ų11039.5 Ų39.551%0.51422%0.224SC..  trans51.635.5173.4-61.9179.6-22.100114.5Q176 P231 S236Q176-Q234 VanDerWaalsContact NE2-CD 3.27Å; P231-Q234 PolarHBondContact O-N 3.36Å; Q234-S236 PolarHBondContact O-N 3.45Å
235V98.6Very high98.5Very high17 Ų1740.6 Ų40.610%0.10323%0.229CC..  trans-61.1127.1170-177.30000108.4L187 L228 L233 K239 L240L187-V235 HydrophobicContact CD1-CG1 4.2Å; L187-V235 HydrophobicContact CD1-CG2 4.27Å; L228-V235 HydrophobicContact CD2-CG2 4.28Å; L228-V235 VanDerWaalsContact O-CG2 3.31Å; L228-V235 WeakPolarHBondContact O-CG2 3.49Å; L233-V235 HydrophobicContact CB-CG2 4.5Å; L233-V235 PolarHBondContact O-N 2.89Å; L233-V235 VanDerWaalsContact O-N 3.11Å; V235-K239 HydrophobicContact CG1-CB 3.73Å; V235-L240 HydrophobicContact CB-CD2 4.02Å; V235-L240 HydrophobicContact CB-CG 4.06Å; V235-L240 HydrophobicContact CG1-CD2 4.01Å; V235-L240 HydrophobicContact CG1-CG 3.9Å
236S98.3Very high98.5Very high58 Ų5842.6 Ų42.641%0.40624%0.242SC..  trans-60.7147.2-177.2710000111.5Q234 A238 K239 L240Q234-S236 PolarHBondContact O-N 3.45Å; S236-A238 PolarHBondContact O-N 3.02Å; S236-A238 VanDerWaalsContact O-N 3.16Å; S236-K239 PolarHBondContact O-N 3.16Å; S236-K239 WeakPolarHBondContact OG-CG 3.33Å; S236-K239 PolarHBondContact OG-N 3.22Å; S236-L240 PolarHBondContact O-N 3.08Å
237Q98.1Very high98.5Very high125 Ų12542 Ų4258%0.58424%0.24SC*.Hα-helixtrans-53.6-39.3179-73.4-61.5-25.400112.5K239 L240 H241Q237-K239 PolarHBondContact O-N 3.32Å; Q237-L240 PolarHBondContact O-N 3.25Å; Q237-H241 PolarHBondContact O-CD2 2.75Å; Q237-H241 PolarHBondContact O-N 2.84Å; Q237-H241 VanDerWaalsContact O-N 3.08Å
238A98.4Very high98.5Very high72 Ų7242 Ų4260%0.59524%0.24SC*.Hα-helixtrans-58.2-49.3174.400000112S236 H241 S242S236-A238 PolarHBondContact O-N 3.02Å; S236-A238 VanDerWaalsContact O-N 3.16Å; A238-H241 PolarHBondContact O-N 3.3Å; A238-S242 VanDerWaalsContact O-CB 3.32Å; A238-S242 WeakPolarHBondContact O-CB 3.34Å; A238-S242 PolarHBondContact O-N 2.73Å; A238-S242 PolarHBondContact O-OG 3.45Å
239K98.6Very high98.5Very high70 Ų7043.6 Ų43.630%0.30425%0.248SC..Hα-helixtrans-69.5-34.3179.1-72.8-177.9176.7-176.70112.6L187 V235 S236 Q237 H241 L243 V244L187-K239 HydrophobicContact CD1-CD 4.25Å; V235-K239 HydrophobicContact CG1-CB 3.73Å; S236-K239 PolarHBondContact O-N 3.16Å; S236-K239 WeakPolarHBondContact OG-CG 3.33Å; S236-K239 PolarHBondContact OG-N 3.22Å; Q237-K239 PolarHBondContact O-N 3.32Å; K239-H241 VanDerWaalsContact C-N 3.34Å; K239-H241 PolarHBondContact O-N 2.89Å; K239-L243 HydrophobicContact CB-CD1 4.23Å; K239-L243 HydrophobicContact CG-CD1 4.1Å; K239-L243 WeakPolarHBondContact O-CA 3.18Å; K239-L243 VanDerWaalsContact O-CB 3.28Å; K239-L243 WeakPolarHBondContact O-CB 3.43Å; K239-L243 PolarHBondContact O-N 2.59Å; K239-V244 PolarHBondContact O-N 2.86Å
240L98.7Very high98.5Very high12 Ų1244.4 Ų44.46%0.06325%0.251CS..Iπ-helixtrans-58.5-47.5173.5-78.8174.1000110.9M229 V235 S236 Q237 V244 K245 V292 F293M229-L240 HydrophobicContact CG-CD2 4.49Å; V235-L240 HydrophobicContact CB-CD2 4.02Å; V235-L240 HydrophobicContact CB-CG 4.06Å; V235-L240 HydrophobicContact CG1-CD2 4.01Å; V235-L240 HydrophobicContact CG1-CG 3.9Å; S236-L240 PolarHBondContact O-N 3.08Å; Q237-L240 PolarHBondContact O-N 3.25Å; L240-V244 HydrophobicContact CD2-CB 4.3Å; L240-V244 HydrophobicContact CD2-CG2 4.24Å; L240-V244 PolarHBondContact O-N 3.15Å; L240-K245 WeakPolarHBondContact O-CB 3.48Å; L240-K245 PolarHBondContact O-N 3.32Å; L240-V292 HydrophobicContact CD1-CG1 4.42Å; L240-F293 HydrophobicContact CB-CE1 4.37Å
241H98.8Very high98.5Very high100 Ų10043.4 Ų43.446%0.46325%0.247SC..Iπ-helixtrans-78.1-36.6-179.3-80.5-89.5000114Q237 A238 K239 P246Q237-H241 PolarHBondContact O-CD2 2.75Å; Q237-H241 PolarHBondContact O-N 2.84Å; Q237-H241 VanDerWaalsContact O-N 3.08Å; A238-H241 PolarHBondContact O-N 3.3Å; K239-H241 VanDerWaalsContact C-N 3.34Å; K239-H241 PolarHBondContact O-N 2.89Å; H241-P246 WeakPolarHBondContact O-CD 3.37Å
242S98.5Very high98.5Very high67 Ų6739.2 Ų39.247%0.46922%0.22SC..Iπ-helixtrans-85.6-30.1-175.768.30000114A238A238-S242 VanDerWaalsContact O-CB 3.32Å; A238-S242 WeakPolarHBondContact O-CB 3.34Å; A238-S242 PolarHBondContact O-N 2.73Å; A238-S242 PolarHBondContact O-OG 3.45Å
243L98.8Very high98.6Very high19 Ų1944.6 Ų44.610%0.09924%0.241CC..Iπ-helixtrans-112-54.7-175.5-56.4177.4000112.2E191 P204 L205 K239 S247E191-L243 HydrophobicContact CG-CD1 4.25Å; E191-L243 HydrophobicContact CG-CD2 4.08Å; E191-L243 WeakPolarHBondContact OE2-CD1 3.5Å; P204-L243 HydrophobicContact CB-CD2 3.98Å; L205-L243 HydrophobicContact CD1-CB 4.08Å; L205-L243 HydrophobicContact CD2-CB 4.33Å; L205-L243 HydrophobicContact CG-CB 4.11Å; K239-L243 HydrophobicContact CB-CD1 4.23Å; K239-L243 HydrophobicContact CG-CD1 4.1Å; K239-L243 WeakPolarHBondContact O-CA 3.18Å; K239-L243 VanDerWaalsContact O-CB 3.28Å; K239-L243 WeakPolarHBondContact O-CB 3.43Å; K239-L243 PolarHBondContact O-N 2.59Å; L243-S247 WeakPolarHBondContact O-CB 3.35Å; L243-S247 PolarHBondContact O-OG 3.47Å
244V98.9Very high98.6Very high0 Ų045.9 Ų45.90%025%0.247CC..Iπ-helixtrans-75.8-51.6-168.6-175.70000111.3L187 L205 L228 M229 K239 L240 S247 V248L187-V244 HydrophobicContact CD2-CG2 4.28Å; L205-V244 HydrophobicContact CD1-CG2 4.12Å; L228-V244 HydrophobicContact CB-CG1 4.22Å; L228-V244 HydrophobicContact CB-CG2 4.13Å; L228-V244 HydrophobicContact CD1-CG2 4.38Å; M229-V244 HydrophobicContact CG-CG1 3.75Å; K239-V244 PolarHBondContact O-N 2.86Å; L240-V244 HydrophobicContact CD2-CB 4.3Å; L240-V244 HydrophobicContact CD2-CG2 4.24Å; L240-V244 PolarHBondContact O-N 3.15Å; V244-S247 WeakPolarHBondContact O-CB 3.1Å; V244-S247 PolarHBondContact O-N 3.22Å; V244-S247 VanDerWaalsContact O-N 3.11Å; V244-V248 HydrophobicContact CG1-CG2 4.17Å; V244-V248 WeakPolarHBondContact O-CG2 3.43Å; V244-V248 PolarHBondContact O-N 3.3Å
245K98.9Very high98.6Very high24 Ų2444 Ų4410%0.10424%0.237CC..Hα-helixtrans-56.1-50.9-176.2-170.9-171.5-171.8-62.80113.2L240 S247 V248 D249 F293 E295 Y298L240-K245 WeakPolarHBondContact O-CB 3.48Å; L240-K245 PolarHBondContact O-N 3.32Å; K245-S247 PolarHBondContact O-N 3.09Å; K245-V248 WeakPolarHBondContact O-CB 3.42Å; K245-V248 PolarHBondContact O-N 3.16Å; K245-V248 VanDerWaalsContact O-N 3.13Å; K245-D249 IonicContact NZ-OD1 3.05Å; K245-D249 IonicContact NZ-OD2 3.98Å; K245-D249 PolarHBondContact NZ-OD2 3.48Å; K245-D249 VanDerWaalsContact NZ-OD2 3.13Å; K245-D249 PolarHBondContact O-N 2.83Å; K245-F293 HydrophobicContact CB-CE1 3.91Å; K245-F293 HydrophobicContact CB-CE2 3.95Å; K245-F293 HydrophobicContact CB-CZ 3.6Å; K245-F293 HydrophobicContact CD-CD1 4.1Å; K245-F293 HydrophobicContact CD-CE1 4.29Å; K245-F293 HydrophobicContact CD-CG 4.24Å; K245-F293 HydrophobicContact CG-CD1 4.32Å; K245-F293 HydrophobicContact CG-CD2 4.07Å; K245-F293 HydrophobicContact CG-CE1 4.19Å; K245-F293 HydrophobicContact CG-CE2 3.92Å; K245-F293 HydrophobicContact CG-CG 4.28Å; K245-F293 HydrophobicContact CG-CZ 4Å; K245-E295 VanDerWaalsContact CE-CD 3.44Å; K245-E295 WeakPolarHBondContact CE-OE1 3.47Å; K245-E295 VanDerWaalsContact NZ-CD 3.29Å; K245-E295 IonicContact NZ-OE1 2.76Å; K245-E295 PolarHBondContact NZ-OE1 3.35Å; K245-E295 IonicContact NZ-OE2 3.51Å; K245-E295 PolarHBondContact NZ-OE2 3.4Å; K245-Y298 WeakPolarHBondContact CE-OH 3.37Å; K245-Y298 PolarHBondContact NZ-OH 3.32Å
246P98.9Very high98.6Very high42 Ų4244.6 Ų44.627%0.27324%0.238SC..Hα-helixtrans-66.5-27.6-179.2-18.133.2000112.1P204 H241 D249 F250P204-P246 HydrophobicContact CG-CB 4Å; P204-P246 HydrophobicContact CG-CG 4.25Å; H241-P246 WeakPolarHBondContact O-CD 3.37Å; P246-D249 PolarHBondContact O-N 2.63Å; P246-F250 PolarHBondContact O-N 3.27Å
247S98.9Very high98.6Very high0 Ų048.6 Ų48.60%026%0.263CS..Hα-helixtrans-74.4-34.3175.1-49.80000112.5S203 P204 L205 Y225 L243 V244 K245 F250 V251S203-S247 WeakPolarHBondContact OG-CA 3.21Å; S203-S247 WeakPolarHBondContact OG-CB 3.45Å; S203-S247 PolarHBondContact OG-OG 3.47Å; P204-S247 WeakPolarHBondContact CD-OG 3.3Å; L205-S247 WeakPolarHBondContact CB-OG 3.48Å; L205-S247 PolarHBondContact N-OG 3Å; Y225-S247 WeakPolarHBondContact CE2-O 3.38Å; Y225-S247 VanDerWaalsContact CZ-CB 3.42Å; Y225-S247 WeakPolarHBondContact OH-CB 3.47Å; L243-S247 WeakPolarHBondContact O-CB 3.35Å; L243-S247 PolarHBondContact O-OG 3.47Å; V244-S247 WeakPolarHBondContact O-CB 3.1Å; V244-S247 PolarHBondContact O-N 3.22Å; V244-S247 VanDerWaalsContact O-N 3.11Å; K245-S247 PolarHBondContact O-N 3.09Å; S247-F250 WeakPolarHBondContact O-CB 3.47Å; S247-F250 PolarHBondContact O-N 3.38Å; S247-V251 PolarHBondContact O-N 2.94Å
248V98.9Very high98.6Very high0 Ų045 Ų450%025%0.251CS..Hα-helixtrans-64.4-44.5168.4168.30000110.5Y225 M229 V244 K245 F250 V251 C252 M285 A289 Y298Y225-V248 HydrophobicContact CD2-CG2 4.15Å; Y225-V248 HydrophobicContact CG-CG2 3.99Å; M229-V248 HydrophobicContact CE-CG2 4.02Å; M229-V248 HydrophobicContact SD-CG2 4.05Å; V244-V248 HydrophobicContact CG1-CG2 4.17Å; V244-V248 WeakPolarHBondContact O-CG2 3.43Å; V244-V248 PolarHBondContact O-N 3.3Å; K245-V248 WeakPolarHBondContact O-CB 3.42Å; K245-V248 PolarHBondContact O-N 3.16Å; K245-V248 VanDerWaalsContact O-N 3.13Å; V248-F250 VanDerWaalsContact C-N 3.25Å; V248-F250 PolarHBondContact O-N 3.11Å; V248-V251 WeakPolarHBondContact O-CB 3.35Å; V248-V251 PolarHBondContact O-N 3.01Å; V248-V251 VanDerWaalsContact O-N 3.09Å; V248-C252 PolarHBondContact O-N 3.37Å; V248-C252 PolarHBondContact O-SG 3.11Å; V248-M285 HydrophobicContact CB-SD 4.46Å; V248-M285 HydrophobicContact CG1-CE 3.98Å; V248-M285 HydrophobicContact CG1-CG 4.38Å; V248-M285 HydrophobicContact CG1-SD 4.09Å; V248-M285 HydrophobicContact CG2-CG 4.34Å; V248-M285 HydrophobicContact CG2-SD 4.16Å; V248-A289 HydrophobicContact CG1-CB 4.03Å; V248-Y298 HydrophobicContact CG1-CE1 4.02Å
249D98.9Very high98.6Very high33 Ų3341.7 Ų41.718%0.17622%0.224CC..Hα-helixtrans-60.7-37.3177.2-68.3-25000111.2K245 P246 V251 C252 Q253 Q297 Y298K245-D249 IonicContact NZ-OD1 3.05Å; K245-D249 IonicContact NZ-OD2 3.98Å; K245-D249 PolarHBondContact NZ-OD2 3.48Å; K245-D249 VanDerWaalsContact NZ-OD2 3.13Å; K245-D249 PolarHBondContact O-N 2.83Å; P246-D249 PolarHBondContact O-N 2.63Å; D249-V251 PolarHBondContact O-N 2.87Å; D249-C252 WeakPolarHBondContact O-CB 3.36Å; D249-C252 PolarHBondContact O-N 3.18Å; D249-Q253 WeakPolarHBondContact O-CG 3.13Å; D249-Q253 PolarHBondContact O-N 3.27Å; D249-Q253 VanDerWaalsContact O-N 3.1Å; D249-Q297 PolarHBondContact OD1-NE2 3.28Å; D249-Y298 VanDerWaalsContact OD1-CE1 3.24Å; D249-Y298 WeakPolarHBondContact OD1-CE1 3.42Å; D249-Y298 VanDerWaalsContact OD1-CZ 3.27Å; D249-Y298 PolarHBondContact OD1-OH 3.04Å
250F98.8Very high98.6Very high21 Ų2138.3 Ų38.39%0.09221%0.21CC..Hα-helixtrans-60.2-43.1172.8-178.6-116.2000112.6F199 K202 M206 P246 S247 V248 Q253 M254 L265F199-F250 HydrophobicContact CD1-CE1 4.42Å; F199-F250 HydrophobicContact CD1-CZ 4.21Å; F199-F250 HydrophobicContact CE1-CE1 4.41Å; F199-F250 HydrophobicContact CE1-CZ 4.07Å; K202-F250 HydrophobicContact CB-CD2 4.17Å; K202-F250 HydrophobicContact CB-CE2 4.09Å; K202-F250 HydrophobicContact CD-CE2 4.39Å; M206-F250 HydrophobicContact CE-CD1 3.95Å; M206-F250 HydrophobicContact CE-CE1 3.55Å; P246-F250 PolarHBondContact O-N 3.27Å; S247-F250 WeakPolarHBondContact O-CB 3.47Å; S247-F250 PolarHBondContact O-N 3.38Å; V248-F250 VanDerWaalsContact C-N 3.25Å; V248-F250 PolarHBondContact O-N 3.11Å; F250-Q253 PolarHBondContact O-N 2.87Å; F250-M254 HydrophobicContact CD1-CE 3.42Å; F250-M254 VanDerWaalsContact CD1-CE 3.42Å; F250-M254 HydrophobicContact CE1-CE 2.99Å; F250-M254 HydrophobicContact CE2-CE 4.24Å; F250-M254 HydrophobicContact CG-CE 4.21Å; F250-M254 HydrophobicContact CZ-CE 3.46Å; F250-M254 VanDerWaalsContact CZ-CE 3.46Å; F250-L265 HydrophobicContact CE1-CD1 3.72Å; F250-L265 HydrophobicContact CZ-CD1 3.79Å
251V98.8Very high98.6Very high0 Ų037.9 Ų37.90%021%0.207CC..Hα-helixtrans-64.2-40.6173.8174.70000111.3V215 L221 Y225 S247 V248 D249 Q253 M254 Y261 M285V215-V251 HydrophobicContact CG1-CG1 4.02Å; L221-V251 HydrophobicContact CB-CG2 3.68Å; L221-V251 HydrophobicContact CD1-CG2 3.76Å; L221-V251 HydrophobicContact CG-CG2 4.37Å; Y225-V251 HydrophobicContact CD2-CG2 3.96Å; Y225-V251 HydrophobicContact CE2-CG2 3.7Å; S247-V251 PolarHBondContact O-N 2.94Å; V248-V251 WeakPolarHBondContact O-CB 3.35Å; V248-V251 PolarHBondContact O-N 3.01Å; V248-V251 VanDerWaalsContact O-N 3.09Å; D249-V251 PolarHBondContact O-N 2.87Å; V251-Q253 PolarHBondContact O-N 3.41Å; V251-M254 WeakPolarHBondContact O-CB 3.5Å; V251-M254 PolarHBondContact O-N 2.94Å; V251-Y261 HydrophobicContact CG1-CE1 4.5Å; V251-Y261 WeakPolarHBondContact O-CE1 3.3Å; V251-M285 HydrophobicContact CB-CE 4.03Å; V251-M285 HydrophobicContact CB-SD 4.2Å; V251-M285 HydrophobicContact CG1-CE 3.71Å; V251-M285 HydrophobicContact CG1-SD 4.1Å
252C98.8Very high98.6Very high14 Ų1433.3 Ų33.310%0.09519%0.187CC..Hα-helixtrans-59.8-33.8178.3-61.50000112.2V248 D249 M254 K255V248-C252 PolarHBondContact O-N 3.37Å; V248-C252 PolarHBondContact O-SG 3.11Å; D249-C252 WeakPolarHBondContact O-CB 3.36Å; D249-C252 PolarHBondContact O-N 3.18Å; C252-M254 VanDerWaalsContact C-N 3.27Å; C252-M254 PolarHBondContact O-N 3.36Å; C252-K255 WeakPolarHBondContact O-CB 3.26Å; C252-K255 PolarHBondContact O-N 2.96Å
253Q98.1Very high98.6Very high152 Ų15230.9 Ų30.971%0.7117%0.17SC*.Hα-helixtrans-70.3-18.1176.6-67.8168.524.800113.8D249 F250 V251 K255D249-Q253 WeakPolarHBondContact O-CG 3.13Å; D249-Q253 PolarHBondContact O-N 3.27Å; D249-Q253 VanDerWaalsContact O-N 3.1Å; F250-Q253 PolarHBondContact O-N 2.87Å; V251-Q253 PolarHBondContact O-N 3.41Å; Q253-K255 PolarHBondContact O-N 3.08Å
254M97.4Very high98.5Very high28 Ų2830.8 Ų30.814%0.13817%0.17CC..THydrogen-bonded Turntrans-79.4-4.4177.7-59.1-179.3-173.900113.6V215 L221 F250 V251 C252 F256 P262 L265V215-M254 HydrophobicContact CG1-SD 4.32Å; V215-M254 HydrophobicContact CG2-SD 3.57Å; V215-M254 VanDerWaalsContact CG2-SD 3.57Å; L221-M254 HydrophobicContact CD1-CE 4.34Å; F250-M254 HydrophobicContact CD1-CE 3.42Å; F250-M254 VanDerWaalsContact CD1-CE 3.42Å; F250-M254 HydrophobicContact CE1-CE 2.99Å; F250-M254 HydrophobicContact CE2-CE 4.24Å; F250-M254 HydrophobicContact CG-CE 4.21Å; F250-M254 HydrophobicContact CZ-CE 3.46Å; F250-M254 VanDerWaalsContact CZ-CE 3.46Å; V251-M254 WeakPolarHBondContact O-CB 3.5Å; V251-M254 PolarHBondContact O-N 2.94Å; C252-M254 VanDerWaalsContact C-N 3.27Å; C252-M254 PolarHBondContact O-N 3.36Å; M254-F256 PolarHBondContact O-N 3.45Å; M254-P262 HydrophobicContact CB-CG 4.14Å; M254-P262 WeakPolarHBondContact O-CD 3.35Å; M254-L265 HydrophobicContact CE-CB 4.49Å; M254-L265 HydrophobicContact CE-CD1 3.68Å; M254-L265 HydrophobicContact CE-CG 3.86Å
255K98.1Very high98.3Very high69 Ų6932.7 Ų32.730%0.318%0.18SC..  trans-58.3128.9-178.9-174176.567.3-144.40110.7C252 Q253 Y261 D301C252-K255 WeakPolarHBondContact O-CB 3.26Å; C252-K255 PolarHBondContact O-N 2.96Å; Q253-K255 PolarHBondContact O-N 3.08Å; K255-Y261 HydrophobicContact CB-CD1 4.33Å; K255-Y261 HydrophobicContact CB-CE1 3.75Å; K255-Y261 HydrophobicContact CB-CE2 4.43Å; K255-Y261 HydrophobicContact CD-CE2 4.36Å; K255-Y261 HydrophobicContact CG-CE1 4.32Å; K255-Y261 HydrophobicContact CG-CE2 4.11Å; K255-D301 IonicContact NZ-OD1 3.91Å; K255-D301 PolarHBondContact NZ-OD1 3.03Å; K255-D301 IonicContact NZ-OD2 3.4Å; K255-D301 PolarHBondContact NZ-OD2 3.26Å
256F98.7Very high97.8Very high31 Ų3138.2 Ų38.214%0.13621%0.211CC..  trans-66160.8173.2-70.6-55.4000111.6M254 S258 G259 N260 P262 D267 D270M254-F256 PolarHBondContact O-N 3.45Å; F256-S258 PolarHBondContact O-N 3.19Å; F256-G259 PolarHBondContact O-N 3.27Å; F256-N260 HydrophobicContact CD2-CB 4.33Å; F256-N260 PolarHBondContact N-O 3.29Å; F256-P262 HydrophobicContact CE1-CB 4.4Å; F256-P262 VanDerWaalsContact CE2-CA 3.47Å; F256-P262 HydrophobicContact CE2-CB 3.84Å; F256-P262 VanDerWaalsContact CE2-N 3.34Å; F256-P262 HydrophobicContact CZ-CB 3.58Å; F256-P262 HydrophobicContact CZ-CG 4.36Å; F256-D267 VanDerWaalsContact CZ-O 3.29Å; F256-D267 WeakPolarHBondContact CZ-O 3.42Å; F256-D270 HydrophobicContact CD1-CB 4.48Å; F256-D270 HydrophobicContact CD2-CB 3.69Å; F256-D270 VanDerWaalsContact CD2-CG 3.48Å; F256-D270 HydrophobicContact CE2-CB 3.79Å; F256-D270 HydrophobicContact CG-CB 4.04Å; F256-D270 HydrophobicContact CZ-CB 4.24Å
257P98.4Very high97.5Very high142 Ų14237.3 Ų37.392%0.92220%0.204SC*.THydrogen-bonded Turntrans-54.1-27173.1-27.535.8000114.1G259P257-G259 VanDerWaalsContact C-N 3.27Å; P257-G259 PolarHBondContact O-N 3.48Å
258S98.4Very high97.3Very high48 Ų4842.3 Ų42.334%0.33624%0.239SC..THydrogen-bonded Turntrans-70.7-18.5176.1650000114.6F256 N260 D270 V308F256-S258 PolarHBondContact O-N 3.19Å; S258-N260 WeakPolarHBondContact OG-CB 3.48Å; S258-N260 PolarHBondContact OG-N 3.01Å; S258-N260 VanDerWaalsContact OG-N 3.11Å; S258-D270 WeakPolarHBondContact CB-OD2 3.27Å; S258-D270 PolarHBondContact OG-OD2 2.95Å; S258-V308 WeakPolarHBondContact O-CG2 3.44Å
259G98.6Very high97.2Very high3 Ų349.9 Ų49.93%0.03127%0.267CS..SBendtrans93.3-6-16800000114.5F256 P257F256-G259 PolarHBondContact O-N 3.27Å; P257-G259 VanDerWaalsContact C-N 3.27Å; P257-G259 PolarHBondContact O-N 3.48Å
260N98.8Very high97.1Very high0 Ų050.1 Ų50.10%027%0.269CS..  trans-80.8175.7174.1-163.821.4000111.6M1 F256 S258 D270 L272 G278 A279 V308M1-N260 HydrophobicContact CE-CB 4.48Å; M1-N260 HydrophobicContact SD-CB 3.85Å; M1-N260 PolarHBondContact SD-ND2 3.47Å; F256-N260 HydrophobicContact CD2-CB 4.33Å; F256-N260 PolarHBondContact N-O 3.29Å; S258-N260 WeakPolarHBondContact OG-CB 3.48Å; S258-N260 PolarHBondContact OG-N 3.01Å; S258-N260 VanDerWaalsContact OG-N 3.11Å; N260-D270 WeakPolarHBondContact CB-OD1 3.5Å; N260-D270 PolarHBondContact ND2-OD1 3.45Å; N260-L272 PolarHBondContact ND2-O 3.49Å; N260-L272 PolarHBondContact OD1-O 3.45Å; N260-G278 WeakPolarHBondContact OD1-CA 3.37Å; N260-A279 WeakPolarHBondContact OD1-CB 3.31Å; N260-A279 PolarHBondContact OD1-N 2.91Å; N260-V308 HydrophobicContact CB-CG1 4.05Å
261Y98.8Very high97.1Very high3 Ų351.8 Ų51.81%0.01228%0.278CS..  trans-125147.2-179.7-70.2-98000111.6V251 K255 V282 L286V251-Y261 HydrophobicContact CG1-CE1 4.5Å; V251-Y261 WeakPolarHBondContact O-CE1 3.3Å; K255-Y261 HydrophobicContact CB-CD1 4.33Å; K255-Y261 HydrophobicContact CB-CE1 3.75Å; K255-Y261 HydrophobicContact CB-CE2 4.43Å; K255-Y261 HydrophobicContact CD-CE2 4.36Å; K255-Y261 HydrophobicContact CG-CE1 4.32Å; K255-Y261 HydrophobicContact CG-CE2 4.11Å; Y261-V282 HydrophobicContact CD1-CG1 4.02Å; Y261-V282 HydrophobicContact CD1-CG2 4.28Å; Y261-V282 HydrophobicContact CD2-CB 3.83Å; Y261-V282 HydrophobicContact CD2-CG1 3.78Å; Y261-V282 HydrophobicContact CD2-CG2 4Å; Y261-V282 HydrophobicContact CE1-CG1 3.85Å; Y261-V282 HydrophobicContact CE2-CB 4.1Å; Y261-V282 HydrophobicContact CE2-CG1 3.62Å; Y261-V282 HydrophobicContact CG-CB 4.11Å; Y261-V282 HydrophobicContact CG-CG1 3.98Å; Y261-V282 HydrophobicContact CG-CG2 3.79Å; Y261-L286 HydrophobicContact CE2-CD1 4.46Å
262P98.6Very high97.1Very high4 Ų453.6 Ų53.63%0.02629%0.288CS..  trans-67.8160.1176.729.6-36.2000111.6V215 M254 F256 C264 D267V215-P262 WeakPolarHBondContact CB-O 3.5Å; V215-P262 HydrophobicContact CG2-CG 4.26Å; M254-P262 HydrophobicContact CB-CG 4.14Å; M254-P262 WeakPolarHBondContact O-CD 3.35Å; F256-P262 HydrophobicContact CE1-CB 4.4Å; F256-P262 VanDerWaalsContact CE2-CA 3.47Å; F256-P262 HydrophobicContact CE2-CB 3.84Å; F256-P262 VanDerWaalsContact CE2-N 3.34Å; F256-P262 HydrophobicContact CZ-CB 3.58Å; F256-P262 HydrophobicContact CZ-CG 4.36Å; P262-C264 WeakPolarHBondContact CB-O 3.18Å; P262-D267 HydrophobicContact CB-CB 4.12Å; P262-D267 WeakPolarHBondContact CB-O 3.34Å
263S97.6Very high97.1Very high16 Ų1653 Ų5311%0.11228%0.284CS..SBendtrans-69.6-42.3173.5-65.90000112Y214 V215 L272Y214-S263 WeakPolarHBondContact CA-O 3.24Å; V215-S263 PolarHBondContact N-O 3.36Å; S263-L272 VanDerWaalsContact OG-CD1 3.31Å; S263-L272 WeakPolarHBondContact OG-CD1 3.39Å
264C97.8Very high97.1Very high16 Ų1646.1 Ų46.111%0.10825%0.252CS..BIsolated β-bridgetrans-135.5160.2179.7-56.40000109.9Y213 Y214 P262 D266 D267Y213-C264 CarbonylContact O-C 3.42Å; Y213-C264 VanDerWaalsContact O-CA 3.23Å; Y213-C264 WeakPolarHBondContact O-CA 3.05Å; Y214-C264 VanDerWaalsContact CD1-SG 3.55Å; P262-C264 WeakPolarHBondContact CB-O 3.18Å; C264-D266 PolarHBondContact O-N 3.35Å; C264-D267 WeakPolarHBondContact O-CB 3.16Å; C264-D267 PolarHBondContact O-N 3.1Å
265L94Very high97.2Very high40 Ų4044.8 Ų44.821%0.20925%0.245CC..THydrogen-bonded Turntrans-49.5-35.4-172.4-170147.5000115.6F199 Y213 F250 M254F199-L265 HydrophobicContact CE1-CD1 3.74Å; F199-L265 HydrophobicContact CZ-CD1 3.85Å; Y213-L265 HydrophobicContact CD2-CB 4.46Å; Y213-L265 PolarHBondContact O-N 3Å; F250-L265 HydrophobicContact CE1-CD1 3.72Å; F250-L265 HydrophobicContact CZ-CD1 3.79Å; M254-L265 HydrophobicContact CE-CB 4.49Å; M254-L265 HydrophobicContact CE-CD1 3.68Å; M254-L265 HydrophobicContact CE-CG 3.86Å
266D88.5Confident97.2Very high141 Ų14141.9 Ų41.975%0.75423%0.233SC*.THydrogen-bonded Turntrans-105.611.1-177.9-63.2-53000114C264 S268C264-D266 PolarHBondContact O-N 3.35Å; D266-S268 PolarHBondContact O-N 3.45Å
267D92.1Very high97.2Very high22 Ų2241.8 Ų41.812%0.11823%0.233CC..  trans-80.2118.2179.5-160.5-14.8000111F256 P262 C264 R269F256-D267 VanDerWaalsContact CZ-O 3.29Å; F256-D267 WeakPolarHBondContact CZ-O 3.42Å; P262-D267 HydrophobicContact CB-CB 4.12Å; P262-D267 WeakPolarHBondContact CB-O 3.34Å; C264-D267 WeakPolarHBondContact O-CB 3.16Å; C264-D267 PolarHBondContact O-N 3.1Å; D267-R269 WeakPolarHBondContact OD1-CB 3.37Å; D267-R269 WeakPolarHBondContact OD1-CG 3.3Å; D267-R269 IonicContact OD1-CZ 3.69Å; D267-R269 PolarHBondContact OD1-N 3.32Å; D267-R269 IonicContact OD1-NE 3.79Å; D267-R269 PolarHBondContact OD1-NE 2.79Å; D267-R269 IonicContact OD1-NH2 2.79Å; D267-R269 IonicContact OD2-CZ 3.64Å; D267-R269 IonicContact OD2-NE 2.86Å; D267-R269 PolarHBondContact OD2-NE 3.39Å; D267-R269 IonicContact OD2-NH2 3.55Å; D267-R269 PolarHBondContact OD2-NH2 2.92Å
268S95Very high97.2Very high106 Ų10635 Ų3574%0.74119%0.189SC*.  trans-89.1-2.8175.3560000113.5D266 D270D266-S268 PolarHBondContact O-N 3.45Å; S268-D270 PolarHBondContact O-N 2.96Å
269R96.7Very high97.2Very high159 Ų15932.7 Ų32.760%0.617%0.173SC*.  trans-8799.9-174.8-60.1169.5-61.7178.64111.3D267 L271D267-R269 WeakPolarHBondContact OD1-CB 3.37Å; D267-R269 WeakPolarHBondContact OD1-CG 3.3Å; D267-R269 IonicContact OD1-CZ 3.69Å; D267-R269 PolarHBondContact OD1-N 3.32Å; D267-R269 IonicContact OD1-NE 3.79Å; D267-R269 PolarHBondContact OD1-NE 2.79Å; D267-R269 IonicContact OD1-NH2 2.79Å; D267-R269 IonicContact OD2-CZ 3.64Å; D267-R269 IonicContact OD2-NE 2.86Å; D267-R269 PolarHBondContact OD2-NE 3.39Å; D267-R269 IonicContact OD2-NH2 3.55Å; D267-R269 PolarHBondContact OD2-NH2 2.92Å; R269-L271 HydrophobicContact CB-CD1 3.95Å; R269-L271 HydrophobicContact CB-CG 4.11Å; R269-L271 PolarHBondContact O-N 3.35Å
270D97.9Very high97.3Very high38 Ų3832.6 Ų32.620%0.20317%0.172CC..  trans-78.182.9173.6-169.91.6000112.2M1 F256 S258 N260 S268M1-D270 WeakPolarHBondContact CE-OD1 3.35Å; M1-D270 WeakPolarHBondContact CE-OD2 3.22Å; M1-D270 WeakPolarHBondContact CG-O 3.32Å; M1-D270 PolarHBondContact N-O 2.82Å; F256-D270 HydrophobicContact CD1-CB 4.48Å; F256-D270 HydrophobicContact CD2-CB 3.69Å; F256-D270 VanDerWaalsContact CD2-CG 3.48Å; F256-D270 HydrophobicContact CE2-CB 3.79Å; F256-D270 HydrophobicContact CG-CB 4.04Å; F256-D270 HydrophobicContact CZ-CB 4.24Å; S258-D270 WeakPolarHBondContact CB-OD2 3.27Å; S258-D270 PolarHBondContact OG-OD2 2.95Å; N260-D270 WeakPolarHBondContact CB-OD1 3.5Å; N260-D270 PolarHBondContact ND2-OD1 3.45Å; S268-D270 PolarHBondContact O-N 2.96Å
271L97.6Very high97.3Very high56 Ų5632.6 Ų32.629%0.29317%0.172SC..  trans-129.6-43.4-170.4-65.6178.9000115R269R269-L271 HydrophobicContact CB-CD1 3.95Å; R269-L271 HydrophobicContact CB-CG 4.11Å; R269-L271 PolarHBondContact O-N 3.35Å
272L98.6Very high97.3Very high37 Ų3732.4 Ų32.419%0.19417%0.171CC..  trans-90.4125.4-167.8-53.8-167.8000110.7N260 S263 H277N260-L272 PolarHBondContact ND2-O 3.49Å; N260-L272 PolarHBondContact OD1-O 3.45Å; S263-L272 VanDerWaalsContact OG-CD1 3.31Å; S263-L272 WeakPolarHBondContact OG-CD1 3.39Å; L272-H277 CarbonylContact C-O 3.57Å; L272-H277 HydrophobicContact CB-CB 4.18Å; L272-H277 HydrophobicContact CD1-CB 3.85Å
273V98.8Very high97.3Very high2 Ų232.2 Ų32.21%0.01217%0.17CC..  trans-122.568.2176-172.90000106.6M1 P280 V308 V309 L315 N328M1-V273 HydrophobicContact CB-CG2 4.34Å; M1-V273 HydrophobicContact CG-CG2 3.74Å; M1-V273 HydrophobicContact SD-CG2 3.69Å; V273-P280 HydrophobicContact CG1-CG 3.77Å; V273-V308 HydrophobicContact CG1-CG1 4.25Å; V273-V308 HydrophobicContact CG2-CG1 4.29Å; V273-V309 HydrophobicContact CG1-CG2 4.33Å; V273-L315 HydrophobicContact CB-CD2 4.38Å; V273-N328 PolarHBondContact O-ND2 3.41Å; V273-N328 PolarHBondContact O-OD1 3.15Å
274H98.9Very high97.3Very high8 Ų831.6 Ų31.64%0.03717%0.165CC..SBendtrans-125.6161.5-174.7-53157.9000110.9C276 H277 P280 G281 L315 H323H274-C276 VanDerWaalsContact C-N 3.33Å; H274-H277 WeakPolarHBondContact CB-O 3.48Å; H274-H277 PolarHBondContact N-O 2.99Å; H274-H277 CarbonylContact O-C 3.58Å; H274-H277 VanDerWaalsContact O-C 3.31Å; H274-H277 VanDerWaalsContact O-O 3.11Å; H274-P280 WeakPolarHBondContact O-CD 3.37Å; H274-G281 PolarHBondContact O-N 3.17Å; H274-L315 WeakPolarHBondContact CD2-CD1 3.02Å; H274-H323 HydrophobicContact CB-CB 3.7Å
275W98.9Very high97.4Very high0 Ų030.9 Ų30.90%016%0.16CC..SBendtrans-61.4-43.6166.5167.883.2000111L107 M151 L152 A217 A218 H277 G281 C322 F373 F394 F397L107-W275 HydrophobicContact CD1-CH2 4.43Å; M151-W275 HydrophobicContact CG-CH2 4.31Å; M151-W275 HydrophobicContact CG-CZ2 4.36Å; L152-W275 HydrophobicContact CD2-CH2 4.19Å; L152-W275 HydrophobicContact CD2-CZ3 4.46Å; A217-W275 HydrophobicContact CB-CZ2 4.46Å; A217-W275 WeakPolarHBondContact CB-O 3.39Å; A218-W275 HydrophobicContact CB-CE3 4.3Å; A218-W275 HydrophobicContact CB-CH2 4.03Å; A218-W275 HydrophobicContact CB-CZ3 3.73Å; W275-H277 VanDerWaalsContact C-N 3.34Å; W275-H277 PolarHBondContact O-N 3.22Å; W275-G281 WeakPolarHBondContact O-CA 3.39Å; W275-C322 HydrophobicContact CE3-CB 4.44Å; W275-C322 PolarHBondContact N-O 2.91Å; W275-F373 HydrophobicContact CE3-CE1 4.27Å; W275-F373 AromaticContact CH2-CE1 3.83Å; W275-F373 HydrophobicContact CH2-CE1 3.83Å; W275-F373 HydrophobicContact CZ2-CE1 4.44Å; W275-F373 HydrophobicContact CZ3-CD1 4.05Å; W275-F373 AromaticContact CZ3-CE1 3.73Å; W275-F373 HydrophobicContact CZ3-CE1 3.73Å; W275-F394 HydrophobicContact CB-CE2 3.93Å; W275-F394 HydrophobicContact CB-CZ 3.94Å; W275-F394 AromaticContact CD1-CE2 3.72Å; W275-F394 AromaticContact CD1-CZ 3.66Å; W275-F394 AromaticContact CD2-CE1 3.99Å; W275-F394 HydrophobicContact CD2-CE1 3.99Å; W275-F394 HydrophobicContact CD2-CE2 4.41Å; W275-F394 AromaticContact CD2-CZ 3.67Å; W275-F394 HydrophobicContact CD2-CZ 3.67Å; W275-F394 AromaticContact CE2-CE1 3.82Å; W275-F394 AromaticContact CE2-CZ 3.98Å; W275-F394 HydrophobicContact CE3-CZ 4.29Å; W275-F394 HydrophobicContact CG-CE1 4.13Å; W275-F394 AromaticContact CG-CE2 3.75Å; W275-F394 HydrophobicContact CG-CE2 3.75Å; W275-F394 AromaticContact CG-CZ 3.47Å; W275-F394 HydrophobicContact CG-CZ 3.47Å; W275-F394 VanDerWaalsContact CG-CZ 3.47Å; W275-F394 HydrophobicContact CZ2-CE1 4.31Å; W275-F394 AromaticContact NE1-CE1 3.85Å; W275-F394 AromaticContact NE1-CZ 3.95Å; W275-F397 HydrophobicContact CZ2-CB 3.94Å; W275-F397 HydrophobicContact CZ2-CD1 4.47Å; W275-F397 AromaticContact CZ2-CD2 3.76Å; W275-F397 HydrophobicContact CZ2-CD2 3.76Å; W275-F397 HydrophobicContact CZ2-CE2 4.41Å; W275-F397 AromaticContact CZ2-CG 3.79Å; W275-F397 HydrophobicContact CZ2-CG 3.79Å; W275-F397 AromaticContact NE1-CD1 3.43Å; W275-F397 AromaticContact NE1-CE1 3.74Å; W275-F397 AromaticContact NE1-CG 3.64Å
276C98.7Very high97.6Very high8 Ų829 Ų295%0.05415%0.15CC..SBendtrans-64.1-38.2-179.855.30000113.5G216 A217 A218 H274 C322G216-C276 WeakPolarHBondContact CA-O 3.41Å; A217-C276 PolarHBondContact N-O 3.28Å; A218-C276 HydrophobicContact CB-CB 3.53Å; H274-C276 VanDerWaalsContact C-N 3.33Å; C276-C322 PolarHBondContact N-O 3.23Å; C276-C322 VanDerWaalsContact N-O 3.14Å
277H98.7Very high98.1Very high28 Ų2822.6 Ų22.613%0.1312%0.116CC..SBendtrans-146120.7-178.3-53.5-71.9000111.2Y214 L272 H274 W275Y214-H277 AromaticContact CD1-CE1 3.5Å; Y214-H277 AromaticContact CD1-ND1 3.94Å; Y214-H277 AromaticContact CE1-CE1 3.57Å; L272-H277 CarbonylContact C-O 3.57Å; L272-H277 HydrophobicContact CB-CB 4.18Å; L272-H277 HydrophobicContact CD1-CB 3.85Å; H274-H277 WeakPolarHBondContact CB-O 3.48Å; H274-H277 PolarHBondContact N-O 2.99Å; H274-H277 CarbonylContact O-C 3.58Å; H274-H277 VanDerWaalsContact O-C 3.31Å; H274-H277 VanDerWaalsContact O-O 3.11Å; W275-H277 VanDerWaalsContact C-N 3.34Å; W275-H277 PolarHBondContact O-N 3.22Å
278G98.8Very high98.5Very high0 Ų022.2 Ų22.20%011%0.113CC..SBendtrans114.3-171.7177.200000113.7N260 G281 V282N260-G278 WeakPolarHBondContact OD1-CA 3.37Å; G278-G281 PolarHBondContact O-N 2.9Å; G278-G281 VanDerWaalsContact O-N 3.09Å; G278-V282 WeakPolarHBondContact O-CG2 3.38Å; G278-V282 PolarHBondContact O-N 3.25Å; G278-V282 VanDerWaalsContact O-N 3.13Å
279A98.9Very high98.7Very high0 Ų017.1 Ų17.10%08%0.078CC..Hα-helixtrans-49.3-42-17600000115.4N260 G281 V282 I283 C305 V308 V309N260-A279 WeakPolarHBondContact OD1-CB 3.31Å; N260-A279 PolarHBondContact OD1-N 2.91Å; A279-G281 PolarHBondContact O-N 3.1Å; A279-V282 PolarHBondContact O-N 2.86Å; A279-I283 PolarHBondContact O-N 3.27Å; A279-C305 HydrophobicContact CB-CB 3.92Å; A279-V308 HydrophobicContact CB-CB 4.33Å; A279-V308 HydrophobicContact CB-CG1 4.14Å; A279-V309 HydrophobicContact CB-CG2 4.49Å
280P98.9Very high98.8Very high0 Ų011.8 Ų11.80%06%0.058CC..Hα-helixtrans-61.9-28.7-179.6-17.425.4000114.1V273 H274 I283 Y284 V309 N328V273-P280 HydrophobicContact CG1-CG 3.77Å; H274-P280 WeakPolarHBondContact O-CD 3.37Å; P280-I283 WeakPolarHBondContact O-CG2 3.32Å; P280-Y284 WeakPolarHBondContact O-CE2 3.41Å; P280-V309 HydrophobicContact CB-CG2 4.24Å; P280-V309 HydrophobicContact CG-CG2 3.72Å; P280-N328 WeakPolarHBondContact CB-OD1 3.47Å; P280-N328 WeakPolarHBondContact CG-OD1 3.21Å
281G98.9Very high98.8Very high0 Ų014.1 Ų14.10%07%0.066CC..Hα-helixtrans-85.9-36.4173.200000113.2S222 H274 W275 G278 A279 I283 Y284S222-G281 PolarHBondContact OG-O 2.93Å; H274-G281 PolarHBondContact O-N 3.17Å; W275-G281 WeakPolarHBondContact O-CA 3.39Å; G278-G281 PolarHBondContact O-N 2.9Å; G278-G281 VanDerWaalsContact O-N 3.09Å; A279-G281 PolarHBondContact O-N 3.1Å; G281-I283 VanDerWaalsContact C-N 3.32Å; G281-I283 PolarHBondContact O-N 3.37Å; G281-Y284 WeakPolarHBondContact O-CD2 3.21Å
282V98.9Very high98.9Very high0 Ų013.6 Ų13.60%07%0.066CC..Hα-helixtrans-70.5-29.7-175.8177.60000112.8S222 Y261 G278 A279 Y284 M285 L286S222-V282 WeakPolarHBondContact OG-CA 3.5Å; Y261-V282 HydrophobicContact CD1-CG1 4.02Å; Y261-V282 HydrophobicContact CD1-CG2 4.28Å; Y261-V282 HydrophobicContact CD2-CB 3.83Å; Y261-V282 HydrophobicContact CD2-CG1 3.78Å; Y261-V282 HydrophobicContact CD2-CG2 4Å; Y261-V282 HydrophobicContact CE1-CG1 3.85Å; Y261-V282 HydrophobicContact CE2-CB 4.1Å; Y261-V282 HydrophobicContact CE2-CG1 3.62Å; Y261-V282 HydrophobicContact CG-CB 4.11Å; Y261-V282 HydrophobicContact CG-CG1 3.98Å; Y261-V282 HydrophobicContact CG-CG2 3.79Å; G278-V282 WeakPolarHBondContact O-CG2 3.38Å; G278-V282 PolarHBondContact O-N 3.25Å; G278-V282 VanDerWaalsContact O-N 3.13Å; A279-V282 PolarHBondContact O-N 2.86Å; V282-Y284 PolarHBondContact O-N 2.9Å; V282-Y284 VanDerWaalsContact O-N 3.11Å; V282-M285 HydrophobicContact CG1-CE 4.22Å; V282-M285 PolarHBondContact O-N 3.32Å; V282-M285 VanDerWaalsContact O-N 3.1Å; V282-L286 HydrophobicContact CG1-CD1 4.07Å; V282-L286 HydrophobicContact CG1-CG 4.17Å; V282-L286 PolarHBondContact O-N 2.81Å
283I98.9Very high98.9Very high0 Ų012.8 Ų12.80%06%0.06CC..Hα-helixtrans-55.3-32.8-178.7-161.9172.7000113.7A279 P280 G281 L286 I287 A302 C305 A331 L335A279-I283 PolarHBondContact O-N 3.27Å; P280-I283 WeakPolarHBondContact O-CG2 3.32Å; G281-I283 VanDerWaalsContact C-N 3.32Å; G281-I283 PolarHBondContact O-N 3.37Å; I283-L286 PolarHBondContact O-N 2.99Å; I283-I287 HydrophobicContact CD1-CD1 4.3Å; I283-I287 HydrophobicContact CG1-CD1 3.83Å; I283-I287 HydrophobicContact CG1-CG1 4.28Å; I283-I287 WeakPolarHBondContact O-CB 3.08Å; I283-I287 WeakPolarHBondContact O-CG1 3.49Å; I283-I287 PolarHBondContact O-N 3.15Å; I283-A302 HydrophobicContact CG1-CB 3.99Å; I283-C305 HydrophobicContact CB-CB 3.97Å; I283-C305 HydrophobicContact CD1-CB 3.96Å; I283-C305 HydrophobicContact CG1-CB 3.98Å; I283-A331 HydrophobicContact CD1-CB 4.1Å; I283-A331 HydrophobicContact CG2-CB 3.89Å; I283-L335 HydrophobicContact CD1-CB 4.37Å; I283-L335 HydrophobicContact CD1-CD2 4.5Å
284Y98.9Very high98.9Very high3 Ų319.1 Ų19.11%0.0129%0.088CC..Hα-helixtrans-66-42.5179.3-65.4-87.9000112.3Y226 P280 G281 V282 L286 Q288 Y330 A334 F394 F397 E398Y226-Y284 VanDerWaalsContact CD2-O 3.3Å; Y226-Y284 WeakPolarHBondContact CD2-O 3.49Å; P280-Y284 WeakPolarHBondContact O-CE2 3.41Å; G281-Y284 WeakPolarHBondContact O-CD2 3.21Å; V282-Y284 PolarHBondContact O-N 2.9Å; V282-Y284 VanDerWaalsContact O-N 3.11Å; Y284-L286 VanDerWaalsContact C-N 3.33Å; Y284-L286 PolarHBondContact O-N 3.28Å; Y284-Q288 VanDerWaalsContact O-CB 3.31Å; Y284-Q288 WeakPolarHBondContact O-CB 3.48Å; Y284-Q288 PolarHBondContact O-N 3.09Å; Y284-Y330 VanDerWaalsContact OH-CB 3.31Å; Y284-Y330 WeakPolarHBondContact OH-CB 3.4Å; Y284-A334 HydrophobicContact CD1-CB 4.3Å; Y284-A334 HydrophobicContact CE1-CB 3.84Å; Y284-F394 HydrophobicContact CE1-CB 4.28Å; Y284-F394 VanDerWaalsContact OH-CB 3.31Å; Y284-F394 WeakPolarHBondContact OH-CB 3.32Å; Y284-F394 WeakPolarHBondContact OH-CD2 3.43Å; Y284-F397 HydrophobicContact CD1-CD1 4.44Å; Y284-F397 AromaticContact CD1-CE1 3.98Å; Y284-F397 HydrophobicContact CD1-CE1 3.98Å; Y284-F397 HydrophobicContact CD2-CD1 4.39Å; Y284-F397 AromaticContact CD2-CE1 3.65Å; Y284-F397 HydrophobicContact CD2-CE1 3.65Å; Y284-F397 HydrophobicContact CE2-CE1 4.21Å; Y284-F397 HydrophobicContact CG-CD1 4.35Å; Y284-F397 AromaticContact CG-CE1 3.53Å; Y284-F397 HydrophobicContact CG-CE1 3.53Å; Y284-F397 HydrophobicContact CG-CZ 4.43Å; Y284-E398 HydrophobicContact CD1-CG 4.21Å; Y284-E398 HydrophobicContact CE1-CB 4.24Å; Y284-E398 HydrophobicContact CE1-CG 4.06Å
285M98.9Very high98.8Very high0 Ų022 Ų220%010%0.101CC..Hα-helixtrans-61.3-44.1173.8-177.2-160.470.500110.4S222 Y225 M229 V248 V251 V282 Q288 A289S222-M285 WeakPolarHBondContact OG-CB 3.11Å; Y225-M285 HydrophobicContact CD2-SD 4.08Å; M229-M285 HydrophobicContact CE-CG 3.75Å; M229-M285 WeakPolarHBondContact CE-O 3.48Å; V248-M285 HydrophobicContact CB-SD 4.46Å; V248-M285 HydrophobicContact CG1-CE 3.98Å; V248-M285 HydrophobicContact CG1-CG 4.38Å; V248-M285 HydrophobicContact CG1-SD 4.09Å; V248-M285 HydrophobicContact CG2-CG 4.34Å; V248-M285 HydrophobicContact CG2-SD 4.16Å; V251-M285 HydrophobicContact CB-CE 4.03Å; V251-M285 HydrophobicContact CB-SD 4.2Å; V251-M285 HydrophobicContact CG1-CE 3.71Å; V251-M285 HydrophobicContact CG1-SD 4.1Å; V282-M285 HydrophobicContact CG1-CE 4.22Å; V282-M285 PolarHBondContact O-N 3.32Å; V282-M285 VanDerWaalsContact O-N 3.1Å; M285-Q288 PolarHBondContact O-N 3.37Å; M285-A289 VanDerWaalsContact O-CB 3.27Å; M285-A289 WeakPolarHBondContact O-CB 3.12Å; M285-A289 PolarHBondContact O-N 3.29Å
286L98.9Very high98.8Very high0 Ų026.5 Ų26.50%012%0.122CC..Hα-helixtrans-64.6-46.3-179.5-62.8171000112.2Y261 V282 I283 Y284 Q288 A289 Y290 D301 A302Y261-L286 HydrophobicContact CE2-CD1 4.46Å; V282-L286 HydrophobicContact CG1-CD1 4.07Å; V282-L286 HydrophobicContact CG1-CG 4.17Å; V282-L286 PolarHBondContact O-N 2.81Å; I283-L286 PolarHBondContact O-N 2.99Å; Y284-L286 VanDerWaalsContact C-N 3.33Å; Y284-L286 PolarHBondContact O-N 3.28Å; L286-Q288 VanDerWaalsContact C-N 3.32Å; L286-Q288 PolarHBondContact O-N 2.86Å; L286-A289 PolarHBondContact O-N 2.92Å; L286-Y290 PolarHBondContact O-N 2.96Å; L286-D301 HydrophobicContact CD1-CB 3.82Å; L286-D301 HydrophobicContact CD2-CB 3.98Å; L286-D301 HydrophobicContact CG-CB 4.48Å; L286-A302 HydrophobicContact CB-CB 4.12Å
287I98.9Very high98.8Very high8 Ų829.6 Ų29.64%0.04114%0.136CC..Hα-helixtrans-59.6-44.9175.3-75.2168000110.4I283 Y290 K291 A302 A334 L335 L338I283-I287 HydrophobicContact CD1-CD1 4.3Å; I283-I287 HydrophobicContact CG1-CD1 3.83Å; I283-I287 HydrophobicContact CG1-CG1 4.28Å; I283-I287 WeakPolarHBondContact O-CB 3.08Å; I283-I287 WeakPolarHBondContact O-CG1 3.49Å; I283-I287 PolarHBondContact O-N 3.15Å; I287-Y290 PolarHBondContact O-N 3.25Å; I287-K291 HydrophobicContact CG2-CD 4.32Å; I287-K291 WeakPolarHBondContact O-CG 3.31Å; I287-K291 PolarHBondContact O-N 3.11Å; I287-A302 HydrophobicContact CG1-CB 4.09Å; I287-A334 HydrophobicContact CD1-CB 3.81Å; I287-L335 HydrophobicContact CD1-CB 4.2Å; I287-L335 HydrophobicContact CD1-CD1 4.4Å; I287-L335 HydrophobicContact CG1-CD1 4.45Å; I287-L338 HydrophobicContact CB-CD2 4.47Å; I287-L338 HydrophobicContact CG1-CD2 4.2Å; I287-L338 HydrophobicContact CG2-CB 4.37Å; I287-L338 HydrophobicContact CG2-CD2 4.09Å
288Q98.9Very high98.8Very high13 Ų1328.3 Ų28.36%0.06113%0.13CC..Hα-helixtrans-68.1-39.9179.2-173.562.327.200112Y226 M229 Y284 M285 L286 Y290 K291 V292Y226-Q288 HydrophobicContact CD2-CB 3.65Å; Y226-Q288 HydrophobicContact CD2-CG 4.13Å; Y226-Q288 HydrophobicContact CE2-CB 3.98Å; Y226-Q288 HydrophobicContact CE2-CG 4.37Å; M229-Q288 HydrophobicContact CB-CG 3.57Å; M229-Q288 HydrophobicContact CE-CB 4.08Å; M229-Q288 HydrophobicContact CE-CG 4.16Å; M229-Q288 PolarHBondContact O-NE2 3.22Å; Y284-Q288 VanDerWaalsContact O-CB 3.31Å; Y284-Q288 WeakPolarHBondContact O-CB 3.48Å; Y284-Q288 PolarHBondContact O-N 3.09Å; M285-Q288 PolarHBondContact O-N 3.37Å; L286-Q288 VanDerWaalsContact C-N 3.32Å; L286-Q288 PolarHBondContact O-N 2.86Å; Q288-Y290 VanDerWaalsContact C-N 3.33Å; Q288-Y290 PolarHBondContact O-N 2.82Å; Q288-K291 WeakPolarHBondContact O-CB 3.45Å; Q288-K291 PolarHBondContact O-N 3.03Å; Q288-K291 VanDerWaalsContact O-N 3.15Å; Q288-V292 WeakPolarHBondContact O-CG2 3.44Å; Q288-V292 PolarHBondContact O-N 3.01Å
289A98.9Very high98.8Very high0 Ų028.9 Ų28.90%013%0.133CC..Hα-helixtrans-60.2-43174.100000111.3M229 V248 M285 L286 V292 F293 Y298M229-A289 HydrophobicContact CE-CB 3.98Å; M229-A289 HydrophobicContact SD-CB 3.87Å; V248-A289 HydrophobicContact CG1-CB 4.03Å; M285-A289 VanDerWaalsContact O-CB 3.27Å; M285-A289 WeakPolarHBondContact O-CB 3.12Å; M285-A289 PolarHBondContact O-N 3.29Å; L286-A289 PolarHBondContact O-N 2.92Å; A289-V292 PolarHBondContact O-N 3.25Å; A289-F293 HydrophobicContact CB-CD2 4.12Å; A289-F293 HydrophobicContact CB-CE2 4.46Å; A289-F293 WeakPolarHBondContact O-CB 3.33Å; A289-F293 WeakPolarHBondContact O-CD2 3.33Å; A289-F293 PolarHBondContact O-N 3.45Å; A289-Y298 HydrophobicContact CB-CD1 3.89Å; A289-Y298 HydrophobicContact CB-CD2 3.8Å; A289-Y298 HydrophobicContact CB-CE1 4.2Å; A289-Y298 HydrophobicContact CB-CE2 4.1Å; A289-Y298 HydrophobicContact CB-CG 3.68Å
290Y98.9Very high98.8Very high46 Ų4635.9 Ų35.918%0.1816%0.159CC..Hα-helixtrans-61.5-44.7172.6-179.1-106.1000111.9L286 I287 Q288 V292 K294 E295 E296 L299 L338L286-Y290 PolarHBondContact O-N 2.96Å; I287-Y290 PolarHBondContact O-N 3.25Å; Q288-Y290 VanDerWaalsContact C-N 3.33Å; Q288-Y290 PolarHBondContact O-N 2.82Å; Y290-V292 VanDerWaalsContact C-N 3.28Å; Y290-V292 PolarHBondContact O-N 3.28Å; Y290-K294 VanDerWaalsContact O-CA 3.27Å; Y290-K294 WeakPolarHBondContact O-CA 3.47Å; Y290-K294 WeakPolarHBondContact O-CD 3.42Å; Y290-K294 PolarHBondContact O-N 3.14Å; Y290-E295 WeakPolarHBondContact CD2-O 3.46Å; Y290-E296 WeakPolarHBondContact CE2-OE1 3.48Å; Y290-E296 PolarHBondContact OH-OE1 3.45Å; Y290-L299 HydrophobicContact CD1-CB 4.42Å; Y290-L299 HydrophobicContact CD2-CB 3.63Å; Y290-L299 HydrophobicContact CE1-CD2 4.02Å; Y290-L299 HydrophobicContact CE2-CB 3.87Å; Y290-L299 HydrophobicContact CE2-CD2 4.01Å; Y290-L299 HydrophobicContact CG-CB 3.91Å; Y290-L338 HydrophobicContact CD1-CD1 4.11Å; Y290-L338 HydrophobicContact CD1-CD2 3.83Å; Y290-L338 HydrophobicContact CD1-CG 4.46Å; Y290-L338 HydrophobicContact CE1-CD1 4.45Å; Y290-L338 HydrophobicContact CE1-CD2 4.43Å
291K98.8Very high98.8Very high88 Ų8836.9 Ų36.938%0.38317%0.165SC..Hα-helixtrans-58.1-40.1178.6-75.7175.8-180178.80112.3I287 Q288 K294 L338I287-K291 HydrophobicContact CG2-CD 4.32Å; I287-K291 WeakPolarHBondContact O-CG 3.31Å; I287-K291 PolarHBondContact O-N 3.11Å; Q288-K291 WeakPolarHBondContact O-CB 3.45Å; Q288-K291 PolarHBondContact O-N 3.03Å; Q288-K291 VanDerWaalsContact O-N 3.15Å; K291-K294 WeakPolarHBondContact O-CE 3.46Å; K291-K294 PolarHBondContact O-NZ 3.46Å; K291-K294 VanDerWaalsContact O-NZ 3.1Å; K291-L338 HydrophobicContact CD-CD1 4.4Å; K291-L338 HydrophobicContact CG-CD1 3.81Å
292V98.8Very high98.8Very high45 Ų4536.9 Ų36.927%0.27317%0.165SC..Hα-helixtrans-85.6-50.4-175.6176.50000112.5M229 L240 Q288 A289 Y290M229-V292 HydrophobicContact CB-CG2 4.25Å; M229-V292 WeakPolarHBondContact O-CG2 3.21Å; L240-V292 HydrophobicContact CD1-CG1 4.42Å; Q288-V292 WeakPolarHBondContact O-CG2 3.44Å; Q288-V292 PolarHBondContact O-N 3.01Å; A289-V292 PolarHBondContact O-N 3.25Å; Y290-V292 VanDerWaalsContact C-N 3.28Å; Y290-V292 PolarHBondContact O-N 3.28Å
293F98.8Very high98.8Very high20 Ų2040.2 Ų40.29%0.08818%0.178CC..Hα-helixtrans-96.6-14.1-170.8-55.4-57.2000114M229 L240 K245 A289 E295 Y298M229-F293 HydrophobicContact CG-CE2 4.38Å; M229-F293 HydrophobicContact CG-CZ 4.5Å; M229-F293 HydrophobicContact SD-CD2 4.31Å; M229-F293 HydrophobicContact SD-CE2 3.49Å; M229-F293 WeakPolarHBondContact SD-CE2 3.38Å; M229-F293 HydrophobicContact SD-CZ 4.16Å; L240-F293 HydrophobicContact CB-CE1 4.37Å; K245-F293 HydrophobicContact CB-CE1 3.91Å; K245-F293 HydrophobicContact CB-CE2 3.95Å; K245-F293 HydrophobicContact CB-CZ 3.6Å; K245-F293 HydrophobicContact CD-CD1 4.1Å; K245-F293 HydrophobicContact CD-CE1 4.29Å; K245-F293 HydrophobicContact CD-CG 4.24Å; K245-F293 HydrophobicContact CG-CD1 4.32Å; K245-F293 HydrophobicContact CG-CD2 4.07Å; K245-F293 HydrophobicContact CG-CE1 4.19Å; K245-F293 HydrophobicContact CG-CE2 3.92Å; K245-F293 HydrophobicContact CG-CG 4.28Å; K245-F293 HydrophobicContact CG-CZ 4Å; A289-F293 HydrophobicContact CB-CD2 4.12Å; A289-F293 HydrophobicContact CB-CE2 4.46Å; A289-F293 WeakPolarHBondContact O-CB 3.33Å; A289-F293 WeakPolarHBondContact O-CD2 3.33Å; A289-F293 PolarHBondContact O-N 3.45Å; F293-E295 PolarHBondContact O-N 3.44Å; F293-Y298 HydrophobicContact CB-CD2 4.48Å; F293-Y298 HydrophobicContact CB-CE2 3.85Å; F293-Y298 AromaticContact CD2-CE2 3.88Å; F293-Y298 HydrophobicContact CD2-CE2 3.88Å; F293-Y298 HydrophobicContact CG-CE2 4.3Å
294K98.5Very high98.8Very high134 Ų13447.6 Ų47.658%0.58321%0.206SC*.  trans56.828.3177.1-55.7-65179.8-165.30114.8Y290 K291Y290-K294 VanDerWaalsContact O-CA 3.27Å; Y290-K294 WeakPolarHBondContact O-CA 3.47Å; Y290-K294 WeakPolarHBondContact O-CD 3.42Å; Y290-K294 PolarHBondContact O-N 3.14Å; K291-K294 WeakPolarHBondContact O-CE 3.46Å; K291-K294 PolarHBondContact O-NZ 3.46Å; K291-K294 VanDerWaalsContact O-NZ 3.1Å
295E98.7Very high98.8Very high69 Ų6947.5 Ų47.532%0.32221%0.205SC..  trans-94.7123.5175.5-65.2178.9-168.800111.3K245 Y290 F293 Q297 Y298K245-E295 VanDerWaalsContact CE-CD 3.44Å; K245-E295 WeakPolarHBondContact CE-OE1 3.47Å; K245-E295 VanDerWaalsContact NZ-CD 3.29Å; K245-E295 IonicContact NZ-OE1 2.76Å; K245-E295 PolarHBondContact NZ-OE1 3.35Å; K245-E295 IonicContact NZ-OE2 3.51Å; K245-E295 PolarHBondContact NZ-OE2 3.4Å; Y290-E295 WeakPolarHBondContact CD2-O 3.46Å; F293-E295 PolarHBondContact O-N 3.44Å; E295-Q297 HydrophobicContact CB-CG 4.18Å; E295-Q297 PolarHBondContact O-N 3.32Å; E295-Q297 PolarHBondContact OE2-NE2 2.94Å; E295-Y298 HydrophobicContact CB-CD2 3.85Å; E295-Y298 HydrophobicContact CB-CE2 3.77Å; E295-Y298 HydrophobicContact CG-CE2 4.31Å; E295-Y298 WeakPolarHBondContact O-CD2 3.19Å; E295-Y298 PolarHBondContact O-N 3.46Å; E295-Y298 VanDerWaalsContact O-N 3.1Å
296E98.6Very high98.8Very high94 Ų9447.5 Ų47.544%0.43921%0.205SC..Hα-helixtrans-56.9-22.7-176.6-71.9-58.8133.200114.4Y290 Y298 L299 R300Y290-E296 WeakPolarHBondContact CE2-OE1 3.48Å; Y290-E296 PolarHBondContact OH-OE1 3.45Å; E296-Y298 VanDerWaalsContact C-N 3.28Å; E296-Y298 PolarHBondContact O-N 3.25Å; E296-L299 PolarHBondContact O-N 3.11Å; E296-R300 WeakPolarHBondContact O-CG 3.37Å; E296-R300 PolarHBondContact O-N 3.29Å
297Q98.6Very high98.8Very high74 Ų7450.4 Ų50.435%0.34622%0.221SC..Hα-helixtrans-59.2-39176.770.3-179.418.800112.8D249 E295 R300 D301D249-Q297 PolarHBondContact OD1-NE2 3.28Å; E295-Q297 HydrophobicContact CB-CG 4.18Å; E295-Q297 PolarHBondContact O-N 3.32Å; E295-Q297 PolarHBondContact OE2-NE2 2.94Å; Q297-R300 PolarHBondContact O-N 3.27Å; Q297-D301 PolarHBondContact O-N 2.94Å
298Y98.9Very high98.8Very high0 Ų050.3 Ų50.30%022%0.221CC..Hα-helixtrans-69.3-40.1-178.3-57.7-52.3000111.2K245 V248 D249 A289 F293 E295 E296 D301 A302K245-Y298 WeakPolarHBondContact CE-OH 3.37Å; K245-Y298 PolarHBondContact NZ-OH 3.32Å; V248-Y298 HydrophobicContact CG1-CE1 4.02Å; D249-Y298 VanDerWaalsContact OD1-CE1 3.24Å; D249-Y298 WeakPolarHBondContact OD1-CE1 3.42Å; D249-Y298 VanDerWaalsContact OD1-CZ 3.27Å; D249-Y298 PolarHBondContact OD1-OH 3.04Å; A289-Y298 HydrophobicContact CB-CD1 3.89Å; A289-Y298 HydrophobicContact CB-CD2 3.8Å; A289-Y298 HydrophobicContact CB-CE1 4.2Å; A289-Y298 HydrophobicContact CB-CE2 4.1Å; A289-Y298 HydrophobicContact CB-CG 3.68Å; F293-Y298 HydrophobicContact CB-CD2 4.48Å; F293-Y298 HydrophobicContact CB-CE2 3.85Å; F293-Y298 AromaticContact CD2-CE2 3.88Å; F293-Y298 HydrophobicContact CD2-CE2 3.88Å; F293-Y298 HydrophobicContact CG-CE2 4.3Å; E295-Y298 HydrophobicContact CB-CD2 3.85Å; E295-Y298 HydrophobicContact CB-CE2 3.77Å; E295-Y298 HydrophobicContact CG-CE2 4.31Å; E295-Y298 WeakPolarHBondContact O-CD2 3.19Å; E295-Y298 PolarHBondContact O-N 3.46Å; E295-Y298 VanDerWaalsContact O-N 3.1Å; E296-Y298 VanDerWaalsContact C-N 3.28Å; E296-Y298 PolarHBondContact O-N 3.25Å; Y298-D301 PolarHBondContact O-N 3.23Å; Y298-A302 PolarHBondContact O-N 3.47Å
299L98.9Very high98.8Very high13 Ų1349.7 Ų49.77%0.06822%0.218CC..Hα-helixtrans-67.9-41.4176.1-178.757.5000111.6Y290 E296 D301 A302 Y303 L335 L338 T339Y290-L299 HydrophobicContact CD1-CB 4.42Å; Y290-L299 HydrophobicContact CD2-CB 3.63Å; Y290-L299 HydrophobicContact CE1-CD2 4.02Å; Y290-L299 HydrophobicContact CE2-CB 3.87Å; Y290-L299 HydrophobicContact CE2-CD2 4.01Å; Y290-L299 HydrophobicContact CG-CB 3.91Å; E296-L299 PolarHBondContact O-N 3.11Å; L299-D301 VanDerWaalsContact C-N 3.27Å; L299-D301 PolarHBondContact O-N 3.32Å; L299-A302 WeakPolarHBondContact O-CB 3.33Å; L299-A302 PolarHBondContact O-N 3.02Å; L299-Y303 HydrophobicContact CD1-CD2 4.45Å; L299-Y303 HydrophobicContact CD1-CE1 4.31Å; L299-Y303 HydrophobicContact CD1-CE2 3.92Å; L299-Y303 HydrophobicContact CD2-CE2 4.02Å; L299-Y303 HydrophobicContact CG-CD2 4.13Å; L299-Y303 HydrophobicContact CG-CE2 3.55Å; L299-Y303 VanDerWaalsContact O-CD2 3.3Å; L299-Y303 WeakPolarHBondContact O-CD2 3.46Å; L299-Y303 PolarHBondContact O-N 3.34Å; L299-L335 HydrophobicContact CD1-CD1 4.11Å; L299-L338 HydrophobicContact CD1-CD2 3.8Å; L299-T339 HydrophobicContact CD1-CG2 4.03Å
300R98.9Very high98.8Very high146 Ų14650.9 Ų50.955%0.55122%0.222SC*.Hα-helixtrans-58.2-40.4173.3-74.8-169.3-60.9-103.13.9112.3E296 Q297 Y303 R304E296-R300 WeakPolarHBondContact O-CG 3.37Å; E296-R300 PolarHBondContact O-N 3.29Å; Q297-R300 PolarHBondContact O-N 3.27Å; R300-Y303 WeakPolarHBondContact O-CB 3.11Å; R300-Y303 PolarHBondContact O-N 3.03Å; R300-R304 WeakPolarHBondContact O-CG 3.39Å; R300-R304 PolarHBondContact O-N 3.21Å; R300-R304 VanDerWaalsContact O-N 3.09Å
301D98.9Very high98.8Very high22 Ų2253.9 Ų53.912%0.11824%0.238CC..Hα-helixtrans-71.2-35.7177.5-77.12.9000111.9K255 L286 Q297 Y298 L299 Y303 R304 C305K255-D301 IonicContact NZ-OD1 3.91Å; K255-D301 PolarHBondContact NZ-OD1 3.03Å; K255-D301 IonicContact NZ-OD2 3.4Å; K255-D301 PolarHBondContact NZ-OD2 3.26Å; L286-D301 HydrophobicContact CD1-CB 3.82Å; L286-D301 HydrophobicContact CD2-CB 3.98Å; L286-D301 HydrophobicContact CG-CB 4.48Å; Q297-D301 PolarHBondContact O-N 2.94Å; Y298-D301 PolarHBondContact O-N 3.23Å; L299-D301 VanDerWaalsContact C-N 3.27Å; L299-D301 PolarHBondContact O-N 3.32Å; D301-Y303 VanDerWaalsContact C-N 3.33Å; D301-Y303 PolarHBondContact O-N 3Å; D301-R304 WeakPolarHBondContact O-CB 3.28Å; D301-R304 PolarHBondContact O-N 3.12Å; D301-R304 VanDerWaalsContact O-N 3.16Å; D301-C305 PolarHBondContact O-N 3.02Å
302A98.9Very high98.8Very high0 Ų052.3 Ų52.30%023%0.23CC..Hα-helixtrans-62.5-39.717200000112I283 L286 I287 Y298 L299 R304 C305 A306 L335I283-A302 HydrophobicContact CG1-CB 3.99Å; L286-A302 HydrophobicContact CB-CB 4.12Å; I287-A302 HydrophobicContact CG1-CB 4.09Å; Y298-A302 PolarHBondContact O-N 3.47Å; L299-A302 WeakPolarHBondContact O-CB 3.33Å; L299-A302 PolarHBondContact O-N 3.02Å; A302-R304 VanDerWaalsContact C-N 3.33Å; A302-R304 PolarHBondContact O-N 2.9Å; A302-C305 WeakPolarHBondContact O-CB 3.12Å; A302-C305 PolarHBondContact O-N 3.12Å; A302-A306 PolarHBondContact O-N 3.23Å; A302-L335 HydrophobicContact CB-CD1 4.17Å
303Y98.9Very high98.8Very high70 Ų7050.1 Ų50.128%0.27522%0.217SC..Hα-helixtrans-60.7-41.6171.7-69.4-45.2000112.1L299 R300 D301 A306 D307 L335 T339 Y344L299-Y303 HydrophobicContact CD1-CD2 4.45Å; L299-Y303 HydrophobicContact CD1-CE1 4.31Å; L299-Y303 HydrophobicContact CD1-CE2 3.92Å; L299-Y303 HydrophobicContact CD2-CE2 4.02Å; L299-Y303 HydrophobicContact CG-CD2 4.13Å; L299-Y303 HydrophobicContact CG-CE2 3.55Å; L299-Y303 VanDerWaalsContact O-CD2 3.3Å; L299-Y303 WeakPolarHBondContact O-CD2 3.46Å; L299-Y303 PolarHBondContact O-N 3.34Å; R300-Y303 WeakPolarHBondContact O-CB 3.11Å; R300-Y303 PolarHBondContact O-N 3.03Å; D301-Y303 VanDerWaalsContact C-N 3.33Å; D301-Y303 PolarHBondContact O-N 3Å; Y303-A306 PolarHBondContact O-N 3.14Å; Y303-D307 PolarHBondContact O-N 3.09Å; Y303-L335 HydrophobicContact CD1-CD1 4.25Å; Y303-L335 HydrophobicContact CD1-CD2 3.79Å; Y303-L335 HydrophobicContact CD1-CG 4.44Å; Y303-L335 HydrophobicContact CE1-CD1 4.08Å; Y303-L335 HydrophobicContact CE1-CD2 4.15Å; Y303-L335 HydrophobicContact CE1-CG 4.34Å; Y303-T339 HydrophobicContact CE1-CG2 4.03Å; Y303-T339 WeakPolarHBondContact OH-CG2 3.32Å; Y303-Y344 HydrophobicContact CD1-CE2 4.01Å; Y303-Y344 AromaticContact CD1-CZ 3.61Å; Y303-Y344 WeakPolarHBondContact CD1-OH 3.1Å; Y303-Y344 AromaticContact CE1-CE2 3.64Å; Y303-Y344 HydrophobicContact CE1-CE2 3.64Å; Y303-Y344 AromaticContact CE1-CZ 3.75Å; Y303-Y344 WeakPolarHBondContact CE1-OH 2.99Å
304R98.9Very high98.8Very high155 Ų15549.2 Ų49.259%0.58521%0.213SC*.Hα-helixtrans-63.6-41.3175.2-68.7-69175.8173.5-3.2112.3R300 D301 A302 A306 D307 V308R300-R304 WeakPolarHBondContact O-CG 3.39Å; R300-R304 PolarHBondContact O-N 3.21Å; R300-R304 VanDerWaalsContact O-N 3.09Å; D301-R304 WeakPolarHBondContact O-CB 3.28Å; D301-R304 PolarHBondContact O-N 3.12Å; D301-R304 VanDerWaalsContact O-N 3.16Å; A302-R304 VanDerWaalsContact C-N 3.33Å; A302-R304 PolarHBondContact O-N 2.9Å; R304-A306 VanDerWaalsContact C-N 3.34Å; R304-A306 PolarHBondContact O-N 3.13Å; R304-D307 PolarHBondContact O-N 3.42Å; R304-V308 WeakPolarHBondContact O-CG2 3.34Å; R304-V308 PolarHBondContact O-N 3.44Å
305C98.9Very high98.8Very high0 Ų043 Ų430%019%0.186CC..Hα-helixtrans-56.3-49.5171.8-74.30000110.9A279 I283 D301 A302 D307 V308 V309A279-C305 HydrophobicContact CB-CB 3.92Å; I283-C305 HydrophobicContact CB-CB 3.97Å; I283-C305 HydrophobicContact CD1-CB 3.96Å; I283-C305 HydrophobicContact CG1-CB 3.98Å; D301-C305 PolarHBondContact O-N 3.02Å; A302-C305 WeakPolarHBondContact O-CB 3.12Å; A302-C305 PolarHBondContact O-N 3.12Å; C305-D307 VanDerWaalsContact C-N 3.29Å; C305-D307 PolarHBondContact O-N 3.38Å; C305-V308 WeakPolarHBondContact O-CB 3.33Å; C305-V308 PolarHBondContact O-N 3.19Å; C305-V308 VanDerWaalsContact O-N 3.16Å; C305-V309 VanDerWaalsContact O-CG2 3.31Å; C305-V309 WeakPolarHBondContact O-CG2 3.5Å; C305-V309 PolarHBondContact O-N 2.63Å
306A98.9Very high98.8Very high0 Ų044.5 Ų44.50%019%0.192CC..Hα-helixtrans-60.3-36.7179.400000112.6A302 Y303 R304 V309 W310 F332 L335 Y344 R347A302-A306 PolarHBondContact O-N 3.23Å; Y303-A306 PolarHBondContact O-N 3.14Å; R304-A306 VanDerWaalsContact C-N 3.34Å; R304-A306 PolarHBondContact O-N 3.13Å; A306-V309 PolarHBondContact O-N 3.01Å; A306-W310 VanDerWaalsContact O-CB 3.32Å; A306-W310 WeakPolarHBondContact O-CB 3.27Å; A306-W310 PolarHBondContact O-N 3.25Å; A306-F332 HydrophobicContact CB-CD1 4.18Å; A306-F332 HydrophobicContact CB-CE1 4.15Å; A306-F332 VanDerWaalsContact O-CE1 3.29Å; A306-F332 WeakPolarHBondContact O-CE1 3.21Å; A306-L335 HydrophobicContact CB-CD2 3.57Å; A306-Y344 HydrophobicContact CB-CD1 4.08Å; A306-Y344 HydrophobicContact CB-CE1 3.71Å; A306-R347 PolarHBondContact O-NH1 3.36Å
307D98.9Very high98.8Very high61 Ų6142.9 Ų42.933%0.32618%0.183SC..Hα-helixtrans-68.4-39.6175.2-71-25.4000112.7Y303 R304 C305 W310 Q311 R347Y303-D307 PolarHBondContact O-N 3.09Å; R304-D307 PolarHBondContact O-N 3.42Å; C305-D307 VanDerWaalsContact C-N 3.29Å; C305-D307 PolarHBondContact O-N 3.38Å; D307-W310 PolarHBondContact O-N 3.1Å; D307-Q311 WeakPolarHBondContact O-CB 3.33Å; D307-Q311 PolarHBondContact O-N 2.94Å; D307-R347 IonicContact OD1-CZ 3.4Å; D307-R347 IonicContact OD1-NH1 3.8Å; D307-R347 PolarHBondContact OD1-NH1 3.09Å; D307-R347 IonicContact OD1-NH2 2.84Å; D307-R347 PolarHBondContact OD1-NH2 3.25Å; D307-R347 VanDerWaalsContact OD1-NH2 3.1Å
308V98.9Very high98.8Very high6 Ų639.6 Ų39.64%0.03617%0.169CC..Hα-helixtrans-60.2-46.8172.1170.50000110.9M1 S258 N260 V273 A279 R304 C305 W310 Q311 Y312M1-V308 HydrophobicContact SD-CG1 4Å; S258-V308 WeakPolarHBondContact O-CG2 3.44Å; N260-V308 HydrophobicContact CB-CG1 4.05Å; V273-V308 HydrophobicContact CG1-CG1 4.25Å; V273-V308 HydrophobicContact CG2-CG1 4.29Å; A279-V308 HydrophobicContact CB-CB 4.33Å; A279-V308 HydrophobicContact CB-CG1 4.14Å; R304-V308 WeakPolarHBondContact O-CG2 3.34Å; R304-V308 PolarHBondContact O-N 3.44Å; C305-V308 WeakPolarHBondContact O-CB 3.33Å; C305-V308 PolarHBondContact O-N 3.19Å; C305-V308 VanDerWaalsContact O-N 3.16Å; V308-W310 VanDerWaalsContact C-N 3.32Å; V308-W310 PolarHBondContact O-N 3.4Å; V308-Q311 PolarHBondContact O-N 2.74Å; V308-Y312 HydrophobicContact CG1-CD2 4.42Å; V308-Y312 PolarHBondContact O-N 2.59Å
309V98.9Very high98.8Very high0 Ų040 Ų400%017%0.17CC..Hα-helixtrans-63.6-40.7178.2-1800000110.8V273 A279 P280 C305 A306 Q311 G313 N328 A331 F332 F351V273-V309 HydrophobicContact CG1-CG2 4.33Å; A279-V309 HydrophobicContact CB-CG2 4.49Å; P280-V309 HydrophobicContact CB-CG2 4.24Å; P280-V309 HydrophobicContact CG-CG2 3.72Å; C305-V309 VanDerWaalsContact O-CG2 3.31Å; C305-V309 WeakPolarHBondContact O-CG2 3.5Å; C305-V309 PolarHBondContact O-N 2.63Å; A306-V309 PolarHBondContact O-N 3.01Å; V309-Q311 VanDerWaalsContact C-N 3.3Å; V309-Q311 PolarHBondContact O-N 2.92Å; V309-G313 WeakPolarHBondContact O-CA 3.24Å; V309-G313 PolarHBondContact O-N 3.45Å; V309-N328 HydrophobicContact CG1-CB 3.89Å; V309-N328 WeakPolarHBondContact CG1-O 3.46Å; V309-A331 HydrophobicContact CG2-CB 4.3Å; V309-F332 HydrophobicContact CB-CE1 4.24Å; V309-F332 HydrophobicContact CB-CZ 3.95Å; V309-F332 HydrophobicContact CG1-CE1 4.27Å; V309-F332 HydrophobicContact CG1-CE2 3.89Å; V309-F332 HydrophobicContact CG1-CZ 3.6Å; V309-F351 HydrophobicContact CG1-CE1 4.25Å; V309-F351 HydrophobicContact CG1-CZ 4.36Å; V309-F351 WeakPolarHBondContact O-CZ 3.2Å
310W98.9Very high98.8Very high26 Ų2639.5 Ų39.510%0.09817%0.169CC..Hα-helixtrans-61.8-40177.3-179.1-115.1000112.2N8 D12 A306 D307 V308 F332 Y346 R347 K350 F351N8-W310 VanDerWaalsContact ND2-CD2 3.29Å; N8-W310 WeakPolarHBondContact ND2-CZ2 3.35Å; N8-W310 PolarHBondContact ND2-O 3.34Å; D12-W310 HydrophobicContact CB-CZ2 4.33Å; A306-W310 VanDerWaalsContact O-CB 3.32Å; A306-W310 WeakPolarHBondContact O-CB 3.27Å; A306-W310 PolarHBondContact O-N 3.25Å; D307-W310 PolarHBondContact O-N 3.1Å; V308-W310 VanDerWaalsContact C-N 3.32Å; V308-W310 PolarHBondContact O-N 3.4Å; W310-F332 HydrophobicContact CB-CE1 4.21Å; W310-F332 HydrophobicContact CB-CZ 4Å; W310-F332 HydrophobicContact CE3-CE2 4.46Å; W310-F332 HydrophobicContact CE3-CZ 4.1Å; W310-Y346 HydrophobicContact CH2-CE1 4.42Å; W310-R347 HydrophobicContact CD2-CG 3.8Å; W310-R347 HydrophobicContact CE3-CB 3.65Å; W310-R347 HydrophobicContact CE3-CG 3.37Å; W310-R347 VanDerWaalsContact CG-CZ 3.48Å; W310-R347 HydrophobicContact CH2-CG 4.19Å; W310-R347 HydrophobicContact CZ3-CB 3.74Å; W310-R347 HydrophobicContact CZ3-CG 3.59Å; W310-K350 HydrophobicContact CH2-CB 3.91Å; W310-K350 HydrophobicContact CH2-CG 4.09Å; W310-K350 HydrophobicContact CZ3-CB 3.93Å; W310-F351 HydrophobicContact CE3-CD2 4.28Å; W310-F351 AromaticContact CE3-CE2 3.73Å; W310-F351 HydrophobicContact CE3-CE2 3.73Å; W310-F351 HydrophobicContact CZ3-CD2 4.09Å; W310-F351 AromaticContact CZ3-CE2 3.91Å; W310-F351 HydrophobicContact CZ3-CE2 3.91Å
311Q98.9Very high98.8Very high109 Ų10932.6 Ų32.651%0.50914%0.143SC..Hα-helixtrans-80.4-35.4-177.5-167.8174.78.100113.4D307 V308 V309D307-Q311 WeakPolarHBondContact O-CB 3.33Å; D307-Q311 PolarHBondContact O-N 2.94Å; V308-Q311 PolarHBondContact O-N 2.74Å; V309-Q311 VanDerWaalsContact C-N 3.3Å; V309-Q311 PolarHBondContact O-N 2.92Å
312Y98.9Very high98.8Very high54 Ų5431.7 Ų31.721%0.21214%0.138CC..Hα-helixtrans-129.97-167.7-56.3-66.1000114.6M1 A2 A5 V308 L315M1-Y312 HydrophobicContact CB-CD1 4.1Å; M1-Y312 HydrophobicContact CB-CD2 4.23Å; M1-Y312 HydrophobicContact CB-CG 3.92Å; M1-Y312 HydrophobicContact CE-CD2 4.21Å; M1-Y312 HydrophobicContact CE-CE2 4.11Å; M1-Y312 HydrophobicContact SD-CD2 3.99Å; M1-Y312 HydrophobicContact SD-CE2 4.49Å; M1-Y312 HydrophobicContact SD-CG 4.46Å; A2-Y312 HydrophobicContact CB-CD1 4.41Å; A2-Y312 HydrophobicContact CB-CE1 3.94Å; A5-Y312 VanDerWaalsContact CB-O 3.31Å; A5-Y312 WeakPolarHBondContact CB-O 3.34Å; V308-Y312 HydrophobicContact CG1-CD2 4.42Å; V308-Y312 PolarHBondContact O-N 2.59Å; Y312-L315 WeakPolarHBondContact O-CD2 3.46Å
313G98.8Very high98.8Very high0 Ų032.6 Ų32.60%014%0.142CC..  trans-85.1-8.1-174.300000115.4V309 L315 N328V309-G313 WeakPolarHBondContact O-CA 3.24Å; V309-G313 PolarHBondContact O-N 3.45Å; G313-L315 PolarHBondContact O-N 3.32Å; G313-N328 WeakPolarHBondContact CA-ND2 3.45Å; G313-N328 PolarHBondContact O-ND2 3.42Å
314L98.9Very high98.8Very high1 Ų129.3 Ų29.31%0.00513%0.129CC..SBendtrans-83.389.9171.8-62.4-177000109.3A5 F6 N8 Y10 A325 F351 W354A5-L314 CarbonylContact C-O 3.52Å; A5-L314 VanDerWaalsContact CA-O 3.25Å; A5-L314 WeakPolarHBondContact CA-O 3.23Å; F6-L314 HydrophobicContact CB-CB 4.42Å; F6-L314 PolarHBondContact N-O 2.95Å; N8-L314 HydrophobicContact CB-CD1 4.3Å; Y10-L314 HydrophobicContact CE2-CD1 4.18Å; L314-A325 HydrophobicContact CD2-CB 4.33Å; L314-F351 HydrophobicContact CD2-CD1 3.85Å; L314-F351 HydrophobicContact CD2-CD2 4.05Å; L314-F351 HydrophobicContact CD2-CE1 3.73Å; L314-F351 HydrophobicContact CD2-CE2 3.9Å; L314-F351 HydrophobicContact CD2-CG 4.01Å; L314-F351 HydrophobicContact CD2-CZ 3.73Å; L314-F351 HydrophobicContact CG-CE1 4.35Å; L314-F351 HydrophobicContact CG-CE2 4.22Å; L314-F351 HydrophobicContact CG-CZ 3.98Å; L314-W354 HydrophobicContact CD1-CD2 4.05Å; L314-W354 HydrophobicContact CD1-CE3 3.87Å; L314-W354 HydrophobicContact CD1-CG 4.5Å; L314-W354 HydrophobicContact CD1-CZ3 4.28Å; L314-W354 HydrophobicContact CD2-CB 3.93Å; L314-W354 HydrophobicContact CD2-CD2 3.97Å; L314-W354 HydrophobicContact CD2-CG 3.65Å; L314-W354 HydrophobicContact CG-CD2 4.43Å
315L98.6Very high98.8Very high4 Ų421.9 Ų21.92%0.02110%0.102CC..BIsolated β-bridgetrans-84.7136.1-165.6-55.6177.5000112.8V273 H274 Y312 G313 K317 G318 H323V273-L315 HydrophobicContact CB-CD2 4.38Å; H274-L315 WeakPolarHBondContact CD2-CD1 3.02Å; Y312-L315 WeakPolarHBondContact O-CD2 3.46Å; G313-L315 PolarHBondContact O-N 3.32Å; L315-K317 HydrophobicContact CB-CB 4.1Å; L315-K317 PolarHBondContact O-N 2.84Å; L315-K317 VanDerWaalsContact O-N 3.12Å; L315-G318 PolarHBondContact O-N 3.23Å; L315-H323 VanDerWaalsContact CD1-C 3.46Å; L315-H323 VanDerWaalsContact CD1-O 3.27Å; L315-H323 WeakPolarHBondContact CD1-O 2.96Å
316K98.6Very high98.8Very high100 Ų10021.9 Ų21.944%0.43510%0.102SC..THydrogen-bonded Turntrans-61.8-16.6164-64.7-178.1-179.11690112.8Q3 R4 A5 F6 G318Q3-K316 WeakPolarHBondContact O-CD 2.84Å; Q3-K316 PolarHBondContact O-NZ 3.17Å; R4-K316 WeakPolarHBondContact O-CB 3.23Å; R4-K316 PolarHBondContact O-N 3.23Å; A5-K316 WeakPolarHBondContact O-CE 3.42Å; F6-K316 HydrophobicContact CD1-CG 4.32Å; F6-K316 HydrophobicContact CD2-CG 3.96Å; F6-K316 HydrophobicContact CE1-CG 4.06Å; F6-K316 VanDerWaalsContact CE2-CA 3.47Å; F6-K316 HydrophobicContact CE2-CB 4.13Å; F6-K316 HydrophobicContact CE2-CG 3.71Å; F6-K316 HydrophobicContact CG-CG 4.28Å; F6-K316 HydrophobicContact CZ-CB 4.31Å; F6-K316 HydrophobicContact CZ-CG 3.74Å; K316-G318 VanDerWaalsContact C-N 3.3Å; K316-G318 PolarHBondContact O-N 3.41Å
317K97.9Very high98.8Very high60 Ų6021.9 Ų21.926%0.26110%0.102SC..THydrogen-bonded Turntrans-69.1-26.3-179.9-162.6173.2-175.9-161.10112.8L315 H323 R364L315-K317 HydrophobicContact CB-CB 4.1Å; L315-K317 PolarHBondContact O-N 2.84Å; L315-K317 VanDerWaalsContact O-N 3.12Å; K317-H323 HydrophobicContact CD-CB 3.97Å; K317-H323 WeakPolarHBondContact CD-CD2 3.45Å; K317-H323 WeakPolarHBondContact CE-CD2 3.41Å; K317-H323 VanDerWaalsContact CE-NE2 3.33Å; K317-H323 WeakPolarHBondContact CE-NE2 3.49Å; K317-H323 PolarHBondContact NZ-CD2 2.96Å; K317-H323 PolarHBondContact NZ-CE1 3.37Å; K317-H323 VanDerWaalsContact NZ-CE1 3.34Å; K317-H323 PolarHBondContact NZ-ND1 3.21Å; K317-H323 PolarHBondContact NZ-NE2 3.05Å; K317-H323 VanDerWaalsContact NZ-NE2 3.12Å; K317-R364 PolarHBondContact O-NE 3.38Å
318G98.4Very high98.8Very high4 Ų419 Ų194%0.0419%0.086CC..  trans133.8-164.4-179.500000113.8L315 K316 G324 A325L315-G318 PolarHBondContact O-N 3.23Å; K316-G318 VanDerWaalsContact C-N 3.3Å; K316-G318 PolarHBondContact O-N 3.41Å; G318-G324 WeakPolarHBondContact O-CA 3.27Å; G318-A325 PolarHBondContact O-N 3.01Å; G318-A325 VanDerWaalsContact O-N 3.13Å
319Y98.9Very high98.8Very high8 Ų818.7 Ų18.73%0.0318%0.084CC..SBendtrans-111.3-2.8-169.7-51.1-96.3000114.5A326 W354 Y358 G359 H361 C363 T379Y319-A326 WeakPolarHBondContact O-CB 3.47Å; Y319-A326 PolarHBondContact O-N 2.94Å; Y319-A326 VanDerWaalsContact O-N 3.17Å; Y319-W354 AromaticContact CD1-CD1 3.81Å; Y319-W354 AromaticContact CD1-NE1 3.86Å; Y319-W354 AromaticContact CE1-CD1 3.62Å; Y319-W354 AromaticContact CE1-NE1 3.42Å; Y319-Y358 HydrophobicContact CD1-CD2 4.27Å; Y319-Y358 AromaticContact CD2-CD2 3.71Å; Y319-Y358 HydrophobicContact CD2-CD2 3.71Å; Y319-Y358 AromaticContact CD2-CE2 3.61Å; Y319-Y358 HydrophobicContact CD2-CE2 3.61Å; Y319-Y358 HydrophobicContact CD2-CG 4.28Å; Y319-Y358 HydrophobicContact CE2-CD2 4.28Å; Y319-Y358 HydrophobicContact CE2-CE2 4.46Å; Y319-Y358 HydrophobicContact CE2-CG 4.42Å; Y319-Y358 AromaticContact CG-CD2 3.72Å; Y319-Y358 HydrophobicContact CG-CD2 3.72Å; Y319-Y358 AromaticContact CG-CE2 3.8Å; Y319-Y358 HydrophobicContact CG-CE2 3.8Å; Y319-G359 PolarHBondContact OH-N 3.05Å; Y319-H361 AromaticContact CE1-CD2 3.69Å; Y319-H361 AromaticContact CZ-CD2 3.71Å; Y319-H361 PolarHBondContact OH-CD2 2.9Å; Y319-C363 HydrophobicContact CE2-CB 3.94Å; Y319-T379 WeakPolarHBondContact CB-OG1 3.45Å; Y319-T379 PolarHBondContact O-OG1 2.67Å
320G98.8Very high98.8Very high4 Ų418.7 Ų18.74%0.0418%0.084CC..  trans-64.9-176.4-17500000115.4G324 G327G320-G324 CarbonylContact O-C 3.26Å; G320-G324 VanDerWaalsContact O-C 3.26Å; G320-G324 WeakPolarHBondContact O-CA 3.49Å; G320-G324 PolarHBondContact O-N 2.54Å; G320-G324 VanDerWaalsContact O-N 3.15Å; G320-G327 PolarHBondContact O-N 3Å; G320-G327 VanDerWaalsContact O-N 3.16Å
321L98.9Very high98.8Very high0 Ų017.5 Ų17.50%08%0.08CC..THydrogen-bonded Turntrans-86.9-42.5-175.6-68.1175.9000113.9H323 A326 G327 Y330 L372 F373 F394 P395L321-H323 VanDerWaalsContact C-N 3.28Å; L321-H323 PolarHBondContact O-N 2.93Å; L321-A326 HydrophobicContact CD2-CB 4.23Å; L321-G327 VanDerWaalsContact O-CA 3.27Å; L321-G327 WeakPolarHBondContact O-CA 3.47Å; L321-Y330 HydrophobicContact CD2-CD2 4.05Å; L321-Y330 HydrophobicContact CD2-CE2 3.79Å; L321-L372 HydrophobicContact CD1-CD1 4.19Å; L321-L372 HydrophobicContact CD1-CG 4.38Å; L321-L372 WeakPolarHBondContact CD1-O 3.22Å; L321-F373 PolarHBondContact N-O 3.35Å; L321-F373 VanDerWaalsContact N-O 3.15Å; L321-F394 HydrophobicContact CB-CE2 4.44Å; L321-F394 HydrophobicContact CB-CZ 3.96Å; L321-P395 HydrophobicContact CD1-CG 3.41Å; L321-P395 VanDerWaalsContact CD1-CG 3.41Å
322C98.9Very high98.8Very high4 Ų412.3 Ų12.33%0.0276%0.055CC..THydrogen-bonded Turntrans-64.4-38-174.8-176.40000112Y62 W275 C276 F373Y62-C322 HydrophobicContact CE2-CB 4.16Å; Y62-C322 WeakPolarHBondContact OH-CB 3.39Å; Y62-C322 PolarHBondContact OH-SG 3.17Å; W275-C322 HydrophobicContact CE3-CB 4.44Å; W275-C322 PolarHBondContact N-O 2.91Å; C276-C322 PolarHBondContact N-O 3.23Å; C276-C322 VanDerWaalsContact N-O 3.14Å; C322-F373 HydrophobicContact CB-CB 4.22Å; C322-F373 HydrophobicContact CB-CD1 4.04Å; C322-F373 WeakPolarHBondContact CB-O 3.36Å; C322-F373 PolarHBondContact N-O 2.96Å
323H98.5Very high98.8Very high19 Ų199.7 Ų9.79%0.0885%0.045CC..THydrogen-bonded Turntrans-16250.7-171.447.3-109000111.7H274 L315 K317 L321H274-H323 HydrophobicContact CB-CB 3.7Å; L315-H323 VanDerWaalsContact CD1-C 3.46Å; L315-H323 VanDerWaalsContact CD1-O 3.27Å; L315-H323 WeakPolarHBondContact CD1-O 2.96Å; K317-H323 HydrophobicContact CD-CB 3.97Å; K317-H323 WeakPolarHBondContact CD-CD2 3.45Å; K317-H323 WeakPolarHBondContact CE-CD2 3.41Å; K317-H323 VanDerWaalsContact CE-NE2 3.33Å; K317-H323 WeakPolarHBondContact CE-NE2 3.49Å; K317-H323 PolarHBondContact NZ-CD2 2.96Å; K317-H323 PolarHBondContact NZ-CE1 3.37Å; K317-H323 VanDerWaalsContact NZ-CE1 3.34Å; K317-H323 PolarHBondContact NZ-ND1 3.21Å; K317-H323 PolarHBondContact NZ-NE2 3.05Å; K317-H323 VanDerWaalsContact NZ-NE2 3.12Å; L321-H323 VanDerWaalsContact C-N 3.28Å; L321-H323 PolarHBondContact O-N 2.93Å
324G98.8Very high98.8Very high0 Ų09.9 Ų9.90%05%0.046CC..SBendtrans-139.6175.6177.500000112.3G318 G320 A326 G327 N328G318-G324 WeakPolarHBondContact O-CA 3.27Å; G320-G324 CarbonylContact O-C 3.26Å; G320-G324 VanDerWaalsContact O-C 3.26Å; G320-G324 WeakPolarHBondContact O-CA 3.49Å; G320-G324 PolarHBondContact O-N 2.54Å; G320-G324 VanDerWaalsContact O-N 3.15Å; G324-A326 VanDerWaalsContact C-N 3.32Å; G324-A326 PolarHBondContact O-N 2.86Å; G324-G327 PolarHBondContact O-N 2.81Å; G324-N328 PolarHBondContact O-N 3.32Å; G324-N328 VanDerWaalsContact O-N 3.08Å
325A98.9Very high98.8Very high0 Ų09.8 Ų9.80%05%0.046CC..Hα-helixtrans-57.7-40.4-17900000113L314 G318 N328 A329 F351L314-A325 HydrophobicContact CD2-CB 4.33Å; G318-A325 PolarHBondContact O-N 3.01Å; G318-A325 VanDerWaalsContact O-N 3.13Å; A325-N328 PolarHBondContact O-N 3.32Å; A325-A329 PolarHBondContact O-N 3.16Å; A325-F351 WeakPolarHBondContact O-CD1 3.44Å
326A98.9Very high98.8Very high0 Ų09.9 Ų9.90%05%0.046CC..Hα-helixtrans-63.9-46.5179.500000112.1Y319 L321 G324 N328 A329 Y330 T379 F382Y319-A326 WeakPolarHBondContact O-CB 3.47Å; Y319-A326 PolarHBondContact O-N 2.94Å; Y319-A326 VanDerWaalsContact O-N 3.17Å; L321-A326 HydrophobicContact CD2-CB 4.23Å; G324-A326 VanDerWaalsContact C-N 3.32Å; G324-A326 PolarHBondContact O-N 2.86Å; A326-N328 VanDerWaalsContact C-N 3.27Å; A326-N328 PolarHBondContact O-N 3.1Å; A326-A329 WeakPolarHBondContact O-CB 3.38Å; A326-A329 PolarHBondContact O-N 3.04Å; A326-A329 VanDerWaalsContact O-N 3.15Å; A326-Y330 PolarHBondContact O-N 3.49Å; A326-T379 HydrophobicContact CB-CG2 4.43Å; A326-F382 HydrophobicContact CB-CB 3.81Å; A326-F382 HydrophobicContact CB-CD1 3.76Å; A326-F382 HydrophobicContact CB-CG 3.93Å
327G98.9Very high98.8Very high0 Ų06.6 Ų6.60%03%0.034CC..Hα-helixtrans-61.1-37.6176.300000113.2G320 L321 G324 Y330G320-G327 PolarHBondContact O-N 3Å; G320-G327 VanDerWaalsContact O-N 3.16Å; L321-G327 VanDerWaalsContact O-CA 3.27Å; L321-G327 WeakPolarHBondContact O-CA 3.47Å; G324-G327 PolarHBondContact O-N 2.81Å; G327-Y330 PolarHBondContact O-N 3.37Å
328N98.9Very high98.8Very high0 Ų05.6 Ų5.60%03%0.031CC..Hα-helixtrans-67.3-35.7176.2-76.3-2.5000112.5V273 P280 V309 G313 G324 A325 A326 Y330 A331 F351V273-N328 PolarHBondContact O-ND2 3.41Å; V273-N328 PolarHBondContact O-OD1 3.15Å; P280-N328 WeakPolarHBondContact CB-OD1 3.47Å; P280-N328 WeakPolarHBondContact CG-OD1 3.21Å; V309-N328 HydrophobicContact CG1-CB 3.89Å; V309-N328 WeakPolarHBondContact CG1-O 3.46Å; G313-N328 WeakPolarHBondContact CA-ND2 3.45Å; G313-N328 PolarHBondContact O-ND2 3.42Å; G324-N328 PolarHBondContact O-N 3.32Å; G324-N328 VanDerWaalsContact O-N 3.08Å; A325-N328 PolarHBondContact O-N 3.32Å; A326-N328 VanDerWaalsContact C-N 3.27Å; A326-N328 PolarHBondContact O-N 3.1Å; N328-Y330 PolarHBondContact O-N 3.03Å; N328-A331 VanDerWaalsContact O-CB 3.24Å; N328-A331 WeakPolarHBondContact O-CB 3.31Å; N328-A331 PolarHBondContact O-N 3.17Å; N328-A331 VanDerWaalsContact O-N 3.11Å; N328-F351 HydrophobicContact CB-CE1 4.11Å
329A98.9Very high98.8Very high0 Ų07.1 Ų7.10%04%0.039CC..Hα-helixtrans-62.7-30.3179.600000113.1A325 A326 A331 F332 L333 F351 F382A325-A329 PolarHBondContact O-N 3.16Å; A326-A329 WeakPolarHBondContact O-CB 3.38Å; A326-A329 PolarHBondContact O-N 3.04Å; A326-A329 VanDerWaalsContact O-N 3.15Å; A329-A331 PolarHBondContact O-N 3.46Å; A329-F332 WeakPolarHBondContact O-CB 3.44Å; A329-F332 PolarHBondContact O-N 3.38Å; A329-L333 PolarHBondContact O-N 3.33Å; A329-F351 HydrophobicContact CB-CB 3.57Å; A329-F351 HydrophobicContact CB-CD1 3.97Å; A329-F351 HydrophobicContact CB-CG 4.1Å; A329-F382 HydrophobicContact CB-CD2 4.27Å; A329-F382 HydrophobicContact CB-CE1 3.99Å; A329-F382 HydrophobicContact CB-CE2 3.49Å; A329-F382 VanDerWaalsContact CB-CE2 3.49Å; A329-F382 HydrophobicContact CB-CZ 3.33Å
330Y98.9Very high98.8Very high0 Ų012 Ų120%06%0.062CC..Hα-helixtrans-62.7-24.1175.4-88.1-74.2000113.9Y284 L321 A326 G327 N328 F332 L333 A334 Y381 F382 D385 A392 R393 F394Y284-Y330 VanDerWaalsContact OH-CB 3.31Å; Y284-Y330 WeakPolarHBondContact OH-CB 3.4Å; L321-Y330 HydrophobicContact CD2-CD2 4.05Å; L321-Y330 HydrophobicContact CD2-CE2 3.79Å; A326-Y330 PolarHBondContact O-N 3.49Å; G327-Y330 PolarHBondContact O-N 3.37Å; N328-Y330 PolarHBondContact O-N 3.03Å; Y330-F332 PolarHBondContact O-N 3.37Å; Y330-L333 HydrophobicContact CD1-CB 4.49Å; Y330-L333 HydrophobicContact CD1-CD1 3.99Å; Y330-L333 HydrophobicContact CE1-CD1 4.14Å; Y330-L333 PolarHBondContact O-N 2.96Å; Y330-A334 WeakPolarHBondContact O-CB 3.35Å; Y330-A334 PolarHBondContact O-N 3.08Å; Y330-Y381 VanDerWaalsContact OH-CD1 3.28Å; Y330-Y381 WeakPolarHBondContact OH-CD1 3.36Å; Y330-F382 AromaticContact CD2-CD2 4Å; Y330-F382 HydrophobicContact CD2-CD2 4Å; Y330-F382 HydrophobicContact CE2-CB 3.74Å; Y330-F382 AromaticContact CE2-CD2 3.75Å; Y330-F382 HydrophobicContact CE2-CD2 3.75Å; Y330-F382 HydrophobicContact CE2-CG 4.18Å; Y330-D385 WeakPolarHBondContact CE1-OD2 3.5Å; Y330-D385 VanDerWaalsContact OH-CB 3.23Å; Y330-D385 WeakPolarHBondContact OH-CB 3.42Å; Y330-D385 PolarHBondContact OH-OD2 3.33Å; Y330-A392 HydrophobicContact CE1-CB 4.4Å; Y330-R393 WeakPolarHBondContact CE1-O 3.43Å; Y330-F394 HydrophobicContact CD1-CB 4.09Å; Y330-F394 HydrophobicContact CD2-CB 4.5Å; Y330-F394 AromaticContact CD2-CD2 3.81Å; Y330-F394 HydrophobicContact CD2-CD2 3.81Å; Y330-F394 HydrophobicContact CD2-CE2 4.46Å; Y330-F394 HydrophobicContact CD2-CG 4.42Å; Y330-F394 HydrophobicContact CG-CB 4.05Å; Y330-F394 AromaticContact CG-CD2 3.84Å; Y330-F394 HydrophobicContact CG-CD2 3.84Å; Y330-F394 HydrophobicContact CG-CG 4.34Å
331A98.9Very high98.7Very high0 Ų014.6 Ų14.60%08%0.075CC..Hα-helixtrans-58.4-38.5171.100000111.2I283 V309 N328 A329 L335I283-A331 HydrophobicContact CD1-CB 4.1Å; I283-A331 HydrophobicContact CG2-CB 3.89Å; V309-A331 HydrophobicContact CG2-CB 4.3Å; N328-A331 VanDerWaalsContact O-CB 3.24Å; N328-A331 WeakPolarHBondContact O-CB 3.31Å; N328-A331 PolarHBondContact O-N 3.17Å; N328-A331 VanDerWaalsContact O-N 3.11Å; A329-A331 PolarHBondContact O-N 3.46Å; A331-L335 WeakPolarHBondContact O-CB 3.4Å; A331-L335 PolarHBondContact O-N 3.39Å
332F98.9Very high98.7Very high0 Ų016.1 Ų16.10%09%0.085CC..Hα-helixtrans-71-41.7176-55.4-55.1000112.2A306 V309 W310 A329 Y330 L335 Y336 Y344 R347 A348 F351A306-F332 HydrophobicContact CB-CD1 4.18Å; A306-F332 HydrophobicContact CB-CE1 4.15Å; A306-F332 VanDerWaalsContact O-CE1 3.29Å; A306-F332 WeakPolarHBondContact O-CE1 3.21Å; V309-F332 HydrophobicContact CB-CE1 4.24Å; V309-F332 HydrophobicContact CB-CZ 3.95Å; V309-F332 HydrophobicContact CG1-CE1 4.27Å; V309-F332 HydrophobicContact CG1-CE2 3.89Å; V309-F332 HydrophobicContact CG1-CZ 3.6Å; W310-F332 HydrophobicContact CB-CE1 4.21Å; W310-F332 HydrophobicContact CB-CZ 4Å; W310-F332 HydrophobicContact CE3-CE2 4.46Å; W310-F332 HydrophobicContact CE3-CZ 4.1Å; A329-F332 WeakPolarHBondContact O-CB 3.44Å; A329-F332 PolarHBondContact O-N 3.38Å; Y330-F332 PolarHBondContact O-N 3.37Å; F332-L335 PolarHBondContact O-N 3.49Å; F332-Y336 VanDerWaalsContact O-CB 3.29Å; F332-Y336 WeakPolarHBondContact O-CB 3.46Å; F332-Y336 PolarHBondContact O-N 2.86Å; F332-Y344 VanDerWaalsContact CB-O 3.32Å; F332-Y344 WeakPolarHBondContact CB-O 3.38Å; F332-Y344 HydrophobicContact CD1-CD1 4.19Å; F332-Y344 WeakPolarHBondContact O-CB 3.44Å; F332-R347 HydrophobicContact CB-CB 4.43Å; F332-R347 HydrophobicContact CD1-CB 3.84Å; F332-R347 HydrophobicContact CD2-CB 3.78Å; F332-R347 HydrophobicContact CE1-CB 3.93Å; F332-R347 HydrophobicContact CE1-CG 4.42Å; F332-R347 HydrophobicContact CE2-CB 3.9Å; F332-R347 HydrophobicContact CG-CB 3.76Å; F332-R347 HydrophobicContact CZ-CB 3.97Å; F332-A348 HydrophobicContact CB-CB 4.13Å; F332-F351 HydrophobicContact CE2-CD1 4.2Å; F332-F351 AromaticContact CE2-CD2 3.76Å; F332-F351 HydrophobicContact CE2-CD2 3.76Å; F332-F351 HydrophobicContact CE2-CE1 4.1Å; F332-F351 AromaticContact CE2-CE2 3.67Å; F332-F351 HydrophobicContact CE2-CE2 3.67Å; F332-F351 HydrophobicContact CE2-CG 4.05Å; F332-F351 AromaticContact CE2-CZ 3.85Å; F332-F351 HydrophobicContact CE2-CZ 3.85Å; F332-F351 HydrophobicContact CZ-CE2 4.13Å; F332-F351 HydrophobicContact CZ-CZ 4.22Å
333L98.9Very high98.7Very high0 Ų018.2 Ų18.20%09%0.093CC..Hα-helixtrans-63.7-41.9178-67.6175.7000111.8A329 Y330 L335 Y336 N337 L345 A348 F382 L386 P389 A392A329-L333 PolarHBondContact O-N 3.33Å; Y330-L333 HydrophobicContact CD1-CB 4.49Å; Y330-L333 HydrophobicContact CD1-CD1 3.99Å; Y330-L333 HydrophobicContact CE1-CD1 4.14Å; Y330-L333 PolarHBondContact O-N 2.96Å; L333-L335 VanDerWaalsContact C-N 3.33Å; L333-L335 PolarHBondContact O-N 3.37Å; L333-Y336 PolarHBondContact O-N 3.16Å; L333-N337 WeakPolarHBondContact O-CB 3.18Å; L333-N337 VanDerWaalsContact O-CG 3.24Å; L333-N337 PolarHBondContact O-N 2.86Å; L333-N337 PolarHBondContact O-ND2 2.97Å; L333-L345 HydrophobicContact CD2-CD1 4.22Å; L333-A348 HydrophobicContact CD2-CB 3.62Å; L333-A348 HydrophobicContact CG-CB 3.81Å; L333-F382 HydrophobicContact CD1-CD2 4.32Å; L333-F382 HydrophobicContact CD1-CE2 3.88Å; L333-L386 HydrophobicContact CD1-CD1 4.46Å; L333-L386 HydrophobicContact CD2-CD1 3.94Å; L333-P389 HydrophobicContact CD2-CB 4.24Å; L333-A392 HydrophobicContact CD1-CB 3.79Å
334A98.9Very high98.7Very high3 Ų317.9 Ų17.93%0.0259%0.091CC..Hα-helixtrans-60.5-43.5175.700000111.6Y284 I287 Y330 L338Y284-A334 HydrophobicContact CD1-CB 4.3Å; Y284-A334 HydrophobicContact CE1-CB 3.84Å; I287-A334 HydrophobicContact CD1-CB 3.81Å; Y330-A334 WeakPolarHBondContact O-CB 3.35Å; Y330-A334 PolarHBondContact O-N 3.08Å; A334-L338 PolarHBondContact O-N 2.87Å
335L98.9Very high98.7Very high0 Ų017.9 Ų17.90%09%0.091CC..Hα-helixtrans-71.9-39.3178.8-174.260.1000112.6I283 I287 L299 A302 Y303 A306 A331 F332 L333 L338 T339 Y344I283-L335 HydrophobicContact CD1-CB 4.37Å; I283-L335 HydrophobicContact CD1-CD2 4.5Å; I287-L335 HydrophobicContact CD1-CB 4.2Å; I287-L335 HydrophobicContact CD1-CD1 4.4Å; I287-L335 HydrophobicContact CG1-CD1 4.45Å; L299-L335 HydrophobicContact CD1-CD1 4.11Å; A302-L335 HydrophobicContact CB-CD1 4.17Å; Y303-L335 HydrophobicContact CD1-CD1 4.25Å; Y303-L335 HydrophobicContact CD1-CD2 3.79Å; Y303-L335 HydrophobicContact CD1-CG 4.44Å; Y303-L335 HydrophobicContact CE1-CD1 4.08Å; Y303-L335 HydrophobicContact CE1-CD2 4.15Å; Y303-L335 HydrophobicContact CE1-CG 4.34Å; A306-L335 HydrophobicContact CB-CD2 3.57Å; A331-L335 WeakPolarHBondContact O-CB 3.4Å; A331-L335 PolarHBondContact O-N 3.39Å; F332-L335 PolarHBondContact O-N 3.49Å; L333-L335 VanDerWaalsContact C-N 3.33Å; L333-L335 PolarHBondContact O-N 3.37Å; L335-L338 PolarHBondContact O-N 3Å; L335-T339 HydrophobicContact CD1-CG2 3.77Å; L335-T339 HydrophobicContact CG-CG2 4.29Å; L335-T339 WeakPolarHBondContact O-CB 3.41Å; L335-T339 WeakPolarHBondContact O-CG2 3.42Å; L335-T339 PolarHBondContact O-N 2.96Å; L335-T339 PolarHBondContact O-OG1 3.43Å; L335-Y344 HydrophobicContact CB-CG 4.41Å; L335-Y344 HydrophobicContact CD2-CD1 3.65Å; L335-Y344 HydrophobicContact CD2-CD2 3.96Å; L335-Y344 HydrophobicContact CD2-CE1 3.47Å; L335-Y344 VanDerWaalsContact CD2-CE1 3.47Å; L335-Y344 HydrophobicContact CD2-CE2 3.82Å; L335-Y344 HydrophobicContact CD2-CG 3.9Å; L335-Y344 HydrophobicContact CG-CD1 4.35Å; L335-Y344 HydrophobicContact CG-CD2 3.94Å; L335-Y344 HydrophobicContact CG-CE1 4.46Å; L335-Y344 HydrophobicContact CG-CE2 4.09Å; L335-Y344 HydrophobicContact CG-CG 4.1Å
336Y98.8Very high98.7Very high6 Ų618 Ų182%0.0249%0.092CC..Hα-helixtrans-58-48.7171.9170.7-112.8000110.8F332 L333 L338 T339 Q340 D341 V342 L345 P389 T390F332-Y336 VanDerWaalsContact O-CB 3.29Å; F332-Y336 WeakPolarHBondContact O-CB 3.46Å; F332-Y336 PolarHBondContact O-N 2.86Å; L333-Y336 PolarHBondContact O-N 3.16Å; Y336-L338 PolarHBondContact O-N 3.49Å; Y336-L338 VanDerWaalsContact O-N 3.17Å; Y336-T339 PolarHBondContact O-N 2.88Å; Y336-T339 VanDerWaalsContact O-N 3.17Å; Y336-Q340 WeakPolarHBondContact O-CA 3.5Å; Y336-Q340 PolarHBondContact O-N 2.89Å; Y336-Q340 PolarHBondContact O-NE2 3.04Å; Y336-D341 WeakPolarHBondContact CD2-O 3.31Å; Y336-V342 HydrophobicContact CE2-CG1 4.25Å; Y336-L345 HydrophobicContact CD1-CB 4.27Å; Y336-L345 HydrophobicContact CD2-CB 3.82Å; Y336-L345 HydrophobicContact CE1-CB 4.36Å; Y336-L345 HydrophobicContact CE1-CD1 4.46Å; Y336-L345 HydrophobicContact CE1-CD2 4.22Å; Y336-L345 HydrophobicContact CE2-CB 3.91Å; Y336-L345 HydrophobicContact CE2-CD2 4.31Å; Y336-L345 HydrophobicContact CG-CB 3.99Å; Y336-P389 HydrophobicContact CE1-CB 4.17Å; Y336-T390 HydrophobicContact CE1-CG2 4.41Å
337N98.6Very high98.7Very high31 Ų3118.2 Ų18.217%0.1669%0.092CC..Hα-helixtrans-64.4-23.4-179-74-22.1000113.1L333 Q340 P389 T390 A392 R393L333-N337 WeakPolarHBondContact O-CB 3.18Å; L333-N337 VanDerWaalsContact O-CG 3.24Å; L333-N337 PolarHBondContact O-N 2.86Å; L333-N337 PolarHBondContact O-ND2 2.97Å; N337-Q340 PolarHBondContact O-NE2 2.52Å; N337-Q340 VanDerWaalsContact O-NE2 3.1Å; N337-P389 PolarHBondContact ND2-O 3.49Å; N337-P389 VanDerWaalsContact ND2-O 3.09Å; N337-P389 PolarHBondContact OD1-O 3.4Å; N337-T390 WeakPolarHBondContact OD1-CA 3.38Å; N337-A392 PolarHBondContact ND2-O 3.13Å; N337-R393 PolarHBondContact ND2-NH1 3.43Å
338L98.5Very high98.7Very high39 Ų3918.2 Ų18.220%0.2049%0.092CC..Hα-helixtrans-79.7-50169.8175.869.1000112.6I287 Y290 K291 L299 A334 L335 Y336I287-L338 HydrophobicContact CB-CD2 4.47Å; I287-L338 HydrophobicContact CG1-CD2 4.2Å; I287-L338 HydrophobicContact CG2-CB 4.37Å; I287-L338 HydrophobicContact CG2-CD2 4.09Å; Y290-L338 HydrophobicContact CD1-CD1 4.11Å; Y290-L338 HydrophobicContact CD1-CD2 3.83Å; Y290-L338 HydrophobicContact CD1-CG 4.46Å; Y290-L338 HydrophobicContact CE1-CD1 4.45Å; Y290-L338 HydrophobicContact CE1-CD2 4.43Å; K291-L338 HydrophobicContact CD-CD1 4.4Å; K291-L338 HydrophobicContact CG-CD1 3.81Å; L299-L338 HydrophobicContact CD1-CD2 3.8Å; A334-L338 PolarHBondContact O-N 2.87Å; L335-L338 PolarHBondContact O-N 3Å; Y336-L338 PolarHBondContact O-N 3.49Å; Y336-L338 VanDerWaalsContact O-N 3.17Å
339T98.4Very high98.7Very high36 Ų3618.2 Ų18.222%0.2219%0.092CC..Hα-helixtrans-95.3-22.1-163.158.80000113.9L299 Y303 L335 Y336 D341L299-T339 HydrophobicContact CD1-CG2 4.03Å; Y303-T339 HydrophobicContact CE1-CG2 4.03Å; Y303-T339 WeakPolarHBondContact OH-CG2 3.32Å; L335-T339 HydrophobicContact CD1-CG2 3.77Å; L335-T339 HydrophobicContact CG-CG2 4.29Å; L335-T339 WeakPolarHBondContact O-CB 3.41Å; L335-T339 WeakPolarHBondContact O-CG2 3.42Å; L335-T339 PolarHBondContact O-N 2.96Å; L335-T339 PolarHBondContact O-OG1 3.43Å; Y336-T339 PolarHBondContact O-N 2.88Å; Y336-T339 VanDerWaalsContact O-N 3.17Å; T339-D341 PolarHBondContact O-N 3.11Å; T339-D341 PolarHBondContact OG1-N 3.47Å
340Q98Very high98.7Very high110 Ų11019.2 Ų19.251%0.51410%0.097SC..  trans57.215.7-167-51.8-59.4-6100113.7Y336 N337 V342Y336-Q340 WeakPolarHBondContact O-CA 3.5Å; Y336-Q340 PolarHBondContact O-N 2.89Å; Y336-Q340 PolarHBondContact O-NE2 3.04Å; N337-Q340 PolarHBondContact O-NE2 2.52Å; N337-Q340 VanDerWaalsContact O-NE2 3.1Å; Q340-V342 PolarHBondContact O-N 2.9Å
341D98.2Very high98.7Very high59 Ų5919.2 Ų19.232%0.31610%0.097SC..  trans-77.6106.2173.8-178.3-4.8000109.8Y336 T339 K343 Y344Y336-D341 WeakPolarHBondContact CD2-O 3.31Å; T339-D341 PolarHBondContact O-N 3.11Å; T339-D341 PolarHBondContact OG1-N 3.47Å; D341-K343 PolarHBondContact O-N 2.79Å; D341-K343 WeakPolarHBondContact OD1-CB 3.33Å; D341-K343 PolarHBondContact OD1-N 3.4Å; D341-Y344 HydrophobicContact CB-CD2 3.86Å; D341-Y344 HydrophobicContact CB-CE2 3.92Å; D341-Y344 PolarHBondContact O-N 3.26Å
342V98.4Very high98.7Very high32 Ų3219.2 Ų19.219%0.19410%0.097CC..Hα-helixtrans-58.2-15.8-178.3-65.30000114Y13 F22 Y336 Q340 Y344 L345 Y346Y13-V342 HydrophobicContact CE1-CG2 4.48Å; Y13-V342 HydrophobicContact CE2-CG2 3.95Å; Y13-V342 VanDerWaalsContact OH-CG2 3.31Å; Y13-V342 WeakPolarHBondContact OH-CG2 3.37Å; F22-V342 HydrophobicContact CE2-CB 3.85Å; F22-V342 HydrophobicContact CE2-CG1 4.27Å; F22-V342 HydrophobicContact CZ-CB 4.19Å; Y336-V342 HydrophobicContact CE2-CG1 4.25Å; Q340-V342 PolarHBondContact O-N 2.9Å; V342-Y344 PolarHBondContact O-N 2.87Å; V342-L345 PolarHBondContact O-N 2.84Å; V342-Y346 PolarHBondContact O-N 2.81Å
343K98.7Very high98.7Very high48 Ų4820.3 Ų20.321%0.20910%0.102CC..Hα-helixtrans-53.3-41.9168.5173.3173.4179-179.80111.7D12 Y13 D341 Y346 R347D12-K343 WeakPolarHBondContact OD2-CE 3.45Å; D12-K343 IonicContact OD2-NZ 3.58Å; D12-K343 PolarHBondContact OD2-NZ 3.47Å; Y13-K343 HydrophobicContact CD1-CB 3.97Å; Y13-K343 HydrophobicContact CD1-CG 4.42Å; Y13-K343 HydrophobicContact CG-CB 4.01Å; Y13-K343 HydrophobicContact CG-CG 4.29Å; D341-K343 PolarHBondContact O-N 2.79Å; D341-K343 WeakPolarHBondContact OD1-CB 3.33Å; D341-K343 PolarHBondContact OD1-N 3.4Å; K343-Y346 WeakPolarHBondContact O-CB 3.24Å; K343-Y346 PolarHBondContact O-N 3.39Å; K343-R347 WeakPolarHBondContact O-CG 3.4Å; K343-R347 PolarHBondContact O-N 3.02Å
344Y98.9Very high98.7Very high12 Ų1221 Ų215%0.04711%0.105CC..Hα-helixtrans-75.7-34.1-178.2-58.6-65.6000111.8Y303 A306 F332 L335 D341 V342 Y346 R347 A348Y303-Y344 HydrophobicContact CD1-CE2 4.01Å; Y303-Y344 AromaticContact CD1-CZ 3.61Å; Y303-Y344 WeakPolarHBondContact CD1-OH 3.1Å; Y303-Y344 AromaticContact CE1-CE2 3.64Å; Y303-Y344 HydrophobicContact CE1-CE2 3.64Å; Y303-Y344 AromaticContact CE1-CZ 3.75Å; Y303-Y344 WeakPolarHBondContact CE1-OH 2.99Å; A306-Y344 HydrophobicContact CB-CD1 4.08Å; A306-Y344 HydrophobicContact CB-CE1 3.71Å; F332-Y344 VanDerWaalsContact CB-O 3.32Å; F332-Y344 WeakPolarHBondContact CB-O 3.38Å; F332-Y344 HydrophobicContact CD1-CD1 4.19Å; F332-Y344 WeakPolarHBondContact O-CB 3.44Å; L335-Y344 HydrophobicContact CB-CG 4.41Å; L335-Y344 HydrophobicContact CD2-CD1 3.65Å; L335-Y344 HydrophobicContact CD2-CD2 3.96Å; L335-Y344 HydrophobicContact CD2-CE1 3.47Å; L335-Y344 VanDerWaalsContact CD2-CE1 3.47Å; L335-Y344 HydrophobicContact CD2-CE2 3.82Å; L335-Y344 HydrophobicContact CD2-CG 3.9Å; L335-Y344 HydrophobicContact CG-CD1 4.35Å; L335-Y344 HydrophobicContact CG-CD2 3.94Å; L335-Y344 HydrophobicContact CG-CE1 4.46Å; L335-Y344 HydrophobicContact CG-CE2 4.09Å; L335-Y344 HydrophobicContact CG-CG 4.1Å; D341-Y344 HydrophobicContact CB-CD2 3.86Å; D341-Y344 HydrophobicContact CB-CE2 3.92Å; D341-Y344 PolarHBondContact O-N 3.26Å; V342-Y344 PolarHBondContact O-N 2.87Å; Y344-Y346 VanDerWaalsContact C-N 3.31Å; Y344-Y346 PolarHBondContact O-N 2.91Å; Y344-R347 PolarHBondContact O-N 3.21Å; Y344-A348 PolarHBondContact O-N 3.44Å
345L98.9Very high98.7Very high0 Ų020.9 Ų20.90%010%0.104CC..Hα-helixtrans-61-42.2169.318058.3000111.6F22 G26 L333 Y336 V342 A348 C349 L386 P389F22-L345 HydrophobicContact CB-CD2 4.32Å; F22-L345 HydrophobicContact CD1-CD2 3.68Å; F22-L345 HydrophobicContact CD1-CG 3.72Å; F22-L345 HydrophobicContact CD2-CD2 4.06Å; F22-L345 HydrophobicContact CE1-CB 4.11Å; F22-L345 HydrophobicContact CE1-CD2 3.92Å; F22-L345 HydrophobicContact CE1-CG 3.62Å; F22-L345 HydrophobicContact CE2-CD2 4.28Å; F22-L345 HydrophobicContact CG-CD2 3.75Å; F22-L345 HydrophobicContact CG-CG 4.32Å; F22-L345 HydrophobicContact CZ-CB 4.22Å; F22-L345 HydrophobicContact CZ-CD2 4.2Å; F22-L345 HydrophobicContact CZ-CG 4.13Å; G26-L345 WeakPolarHBondContact O-CD2 3.11Å; L333-L345 HydrophobicContact CD2-CD1 4.22Å; Y336-L345 HydrophobicContact CD1-CB 4.27Å; Y336-L345 HydrophobicContact CD2-CB 3.82Å; Y336-L345 HydrophobicContact CE1-CB 4.36Å; Y336-L345 HydrophobicContact CE1-CD1 4.46Å; Y336-L345 HydrophobicContact CE1-CD2 4.22Å; Y336-L345 HydrophobicContact CE2-CB 3.91Å; Y336-L345 HydrophobicContact CE2-CD2 4.31Å; Y336-L345 HydrophobicContact CG-CB 3.99Å; V342-L345 PolarHBondContact O-N 2.84Å; L345-A348 WeakPolarHBondContact O-CB 3.34Å; L345-A348 PolarHBondContact O-N 3.34Å; L345-C349 PolarHBondContact O-N 3.12Å; L345-C349 PolarHBondContact O-SG 3.13Å; L345-L386 HydrophobicContact CD1-CD1 4.29Å; L345-P389 HydrophobicContact CD1-CB 3.54Å; L345-P389 HydrophobicContact CD1-CG 3.6Å
346Y98.9Very high98.7Very high2 Ų221.7 Ų21.71%0.00811%0.108CC..Hα-helixtrans-58.9-47.2173.9173.8-92.5000112.4A11 Y13 L17 A18 Y21 W310 V342 K343 Y344 A348 C349 K350A11-Y346 WeakPolarHBondContact O-CE1 3.42Å; A11-Y346 PolarHBondContact O-OH 3.28Å; Y13-Y346 HydrophobicContact CD2-CD1 4.37Å; Y13-Y346 HydrophobicContact CD2-CD2 4.27Å; Y13-Y346 AromaticContact CD2-CG 3.88Å; Y13-Y346 HydrophobicContact CD2-CG 3.88Å; Y13-Y346 HydrophobicContact CG-CG 4.48Å; L17-Y346 HydrophobicContact CB-CE2 3.98Å; A18-Y346 HydrophobicContact CB-CD2 4.12Å; Y21-Y346 HydrophobicContact CD2-CD2 4.15Å; Y21-Y346 HydrophobicContact CD2-CE2 4.14Å; Y21-Y346 HydrophobicContact CE2-CD2 4.49Å; Y21-Y346 HydrophobicContact CE2-CE2 4.05Å; W310-Y346 HydrophobicContact CH2-CE1 4.42Å; V342-Y346 PolarHBondContact O-N 2.81Å; K343-Y346 WeakPolarHBondContact O-CB 3.24Å; K343-Y346 PolarHBondContact O-N 3.39Å; Y344-Y346 VanDerWaalsContact C-N 3.31Å; Y344-Y346 PolarHBondContact O-N 2.91Å; Y346-A348 VanDerWaalsContact C-N 3.3Å; Y346-A348 PolarHBondContact O-N 2.71Å; Y346-C349 WeakPolarHBondContact O-CB 3.35Å; Y346-C349 PolarHBondContact O-N 3.36Å; Y346-C349 VanDerWaalsContact O-N 3.12Å; Y346-K350 HydrophobicContact CD1-CG 4.22Å; Y346-K350 HydrophobicContact CE1-CG 3.76Å; Y346-K350 HydrophobicContact CE2-CG 4.25Å; Y346-K350 VanDerWaalsContact CZ-CE 3.42Å; Y346-K350 PolarHBondContact O-N 3.3Å; Y346-K350 WeakPolarHBondContact OH-CE 3.44Å
347R98.9Very high98.7Very high4 Ų424.7 Ų24.72%0.01512%0.124CC..Hα-helixtrans-61.2-38.6177.2-69-175171.3178.1-4.3112D12 A306 D307 W310 F332 K343 Y344 K350 F351D12-R347 IonicContact OD1-CZ 2.71Å; D12-R347 IonicContact OD1-NE 3.13Å; D12-R347 PolarHBondContact OD1-NE 3.38Å; D12-R347 IonicContact OD1-NH2 3.7Å; D12-R347 IonicContact OD2-CZ 2.93Å; D12-R347 IonicContact OD2-NE 2.79Å; D12-R347 IonicContact OD2-NH2 2.96Å; D12-R347 PolarHBondContact OD2-NH2 2.61Å; A306-R347 PolarHBondContact O-NH1 3.36Å; D307-R347 IonicContact OD1-CZ 3.4Å; D307-R347 IonicContact OD1-NH1 3.8Å; D307-R347 PolarHBondContact OD1-NH1 3.09Å; D307-R347 IonicContact OD1-NH2 2.84Å; D307-R347 PolarHBondContact OD1-NH2 3.25Å; D307-R347 VanDerWaalsContact OD1-NH2 3.1Å; W310-R347 HydrophobicContact CD2-CG 3.8Å; W310-R347 HydrophobicContact CE3-CB 3.65Å; W310-R347 HydrophobicContact CE3-CG 3.37Å; W310-R347 VanDerWaalsContact CG-CZ 3.48Å; W310-R347 HydrophobicContact CH2-CG 4.19Å; W310-R347 HydrophobicContact CZ3-CB 3.74Å; W310-R347 HydrophobicContact CZ3-CG 3.59Å; F332-R347 HydrophobicContact CB-CB 4.43Å; F332-R347 HydrophobicContact CD1-CB 3.84Å; F332-R347 HydrophobicContact CD2-CB 3.78Å; F332-R347 HydrophobicContact CE1-CB 3.93Å; F332-R347 HydrophobicContact CE1-CG 4.42Å; F332-R347 HydrophobicContact CE2-CB 3.9Å; F332-R347 HydrophobicContact CG-CB 3.76Å; F332-R347 HydrophobicContact CZ-CB 3.97Å; K343-R347 WeakPolarHBondContact O-CG 3.4Å; K343-R347 PolarHBondContact O-N 3.02Å; Y344-R347 PolarHBondContact O-N 3.21Å; R347-K350 PolarHBondContact O-N 2.98Å; R347-F351 WeakPolarHBondContact O-CD2 3.46Å; R347-F351 PolarHBondContact O-N 3.2Å
348A98.9Very high98.7Very high0 Ų025.1 Ų25.10%012%0.124CC..Hα-helixtrans-61.8-44.3172.400000112.1F332 L333 Y344 L345 Y346 K350 F351 A352 L386F332-A348 HydrophobicContact CB-CB 4.13Å; L333-A348 HydrophobicContact CD2-CB 3.62Å; L333-A348 HydrophobicContact CG-CB 3.81Å; Y344-A348 PolarHBondContact O-N 3.44Å; L345-A348 WeakPolarHBondContact O-CB 3.34Å; L345-A348 PolarHBondContact O-N 3.34Å; Y346-A348 VanDerWaalsContact C-N 3.3Å; Y346-A348 PolarHBondContact O-N 2.71Å; A348-K350 VanDerWaalsContact C-N 3.33Å; A348-K350 PolarHBondContact O-N 2.88Å; A348-F351 PolarHBondContact O-N 3.46Å; A348-A352 PolarHBondContact O-N 3.13Å; A348-L386 HydrophobicContact CB-CD1 4.35Å
349C98.9Very high98.6Very high0 Ų025.5 Ų25.50%014%0.138CC..Hα-helixtrans-61.4-39.8176.3-64.70000112.2Y21 F32 L345 Y346 A352 E353Y21-C349 HydrophobicContact CD1-CB 3.73Å; Y21-C349 HydrophobicContact CE1-CB 4.44Å; Y21-C349 HydrophobicContact CG-CB 3.98Å; F32-C349 HydrophobicContact CE1-CB 3.89Å; F32-C349 HydrophobicContact CZ-CB 4.06Å; L345-C349 PolarHBondContact O-N 3.12Å; L345-C349 PolarHBondContact O-SG 3.13Å; Y346-C349 WeakPolarHBondContact O-CB 3.35Å; Y346-C349 PolarHBondContact O-N 3.36Å; Y346-C349 VanDerWaalsContact O-N 3.12Å; C349-A352 CarbonylContact O-C 3.39Å; C349-A352 WeakPolarHBondContact O-CA 3.45Å; C349-A352 WeakPolarHBondContact O-CB 3.5Å; C349-A352 PolarHBondContact O-N 3.26Å; C349-E353 PolarHBondContact O-N 2.88Å
350K98.9Very high98.5Very high22 Ų2229.6 Ų29.610%0.09616%0.158CC..Hα-helixtrans-66.9-35.4175.7-70.8-57.3-171.8176.60113.5Y10 Y21 W310 Y346 R347 A348 A352 E353 W354Y10-K350 HydrophobicContact CD1-CD 3.98Å; Y10-K350 HydrophobicContact CD2-CB 3.86Å; Y10-K350 HydrophobicContact CD2-CD 4.48Å; Y10-K350 HydrophobicContact CE2-CB 4.37Å; Y10-K350 VanDerWaalsContact CE2-O 3.23Å; Y10-K350 WeakPolarHBondContact CE2-O 3.4Å; Y10-K350 HydrophobicContact CG-CB 4.09Å; Y10-K350 HydrophobicContact CG-CD 3.92Å; Y10-K350 HydrophobicContact CG-CG 4.26Å; Y21-K350 PolarHBondContact OH-NZ 3.18Å; W310-K350 HydrophobicContact CH2-CB 3.91Å; W310-K350 HydrophobicContact CH2-CG 4.09Å; W310-K350 HydrophobicContact CZ3-CB 3.93Å; Y346-K350 HydrophobicContact CD1-CG 4.22Å; Y346-K350 HydrophobicContact CE1-CG 3.76Å; Y346-K350 HydrophobicContact CE2-CG 4.25Å; Y346-K350 VanDerWaalsContact CZ-CE 3.42Å; Y346-K350 PolarHBondContact O-N 3.3Å; Y346-K350 WeakPolarHBondContact OH-CE 3.44Å; R347-K350 PolarHBondContact O-N 2.98Å; A348-K350 VanDerWaalsContact C-N 3.33Å; A348-K350 PolarHBondContact O-N 2.88Å; K350-A352 VanDerWaalsContact C-N 3.32Å; K350-E353 WeakPolarHBondContact CD-OE2 3.42Å; K350-E353 IonicContact NZ-OE2 3.71Å; K350-E353 PolarHBondContact NZ-OE2 2.76Å; K350-E353 WeakPolarHBondContact O-CB 3.44Å; K350-E353 PolarHBondContact O-N 3.11Å; K350-W354 PolarHBondContact O-N 3.2Å; K350-W354 VanDerWaalsContact O-N 3.12Å
351F98.9Very high98.5Very high0 Ų026.4 Ų26.40%014%0.143CC..Hα-helixtrans-70-32.9171.4-86.1-127.4000111.7V309 W310 L314 A325 N328 A329 F332 R347 A348 W354 C355V309-F351 HydrophobicContact CG1-CE1 4.25Å; V309-F351 HydrophobicContact CG1-CZ 4.36Å; V309-F351 WeakPolarHBondContact O-CZ 3.2Å; W310-F351 HydrophobicContact CE3-CD2 4.28Å; W310-F351 AromaticContact CE3-CE2 3.73Å; W310-F351 HydrophobicContact CE3-CE2 3.73Å; W310-F351 HydrophobicContact CZ3-CD2 4.09Å; W310-F351 AromaticContact CZ3-CE2 3.91Å; W310-F351 HydrophobicContact CZ3-CE2 3.91Å; L314-F351 HydrophobicContact CD2-CD1 3.85Å; L314-F351 HydrophobicContact CD2-CD2 4.05Å; L314-F351 HydrophobicContact CD2-CE1 3.73Å; L314-F351 HydrophobicContact CD2-CE2 3.9Å; L314-F351 HydrophobicContact CD2-CG 4.01Å; L314-F351 HydrophobicContact CD2-CZ 3.73Å; L314-F351 HydrophobicContact CG-CE1 4.35Å; L314-F351 HydrophobicContact CG-CE2 4.22Å; L314-F351 HydrophobicContact CG-CZ 3.98Å; A325-F351 WeakPolarHBondContact O-CD1 3.44Å; N328-F351 HydrophobicContact CB-CE1 4.11Å; A329-F351 HydrophobicContact CB-CB 3.57Å; A329-F351 HydrophobicContact CB-CD1 3.97Å; A329-F351 HydrophobicContact CB-CG 4.1Å; F332-F351 HydrophobicContact CE2-CD1 4.2Å; F332-F351 AromaticContact CE2-CD2 3.76Å; F332-F351 HydrophobicContact CE2-CD2 3.76Å; F332-F351 HydrophobicContact CE2-CE1 4.1Å; F332-F351 AromaticContact CE2-CE2 3.67Å; F332-F351 HydrophobicContact CE2-CE2 3.67Å; F332-F351 HydrophobicContact CE2-CG 4.05Å; F332-F351 AromaticContact CE2-CZ 3.85Å; F332-F351 HydrophobicContact CE2-CZ 3.85Å; F332-F351 HydrophobicContact CZ-CE2 4.13Å; F332-F351 HydrophobicContact CZ-CZ 4.22Å; R347-F351 WeakPolarHBondContact O-CD2 3.46Å; R347-F351 PolarHBondContact O-N 3.2Å; A348-F351 PolarHBondContact O-N 3.46Å; F351-W354 WeakPolarHBondContact O-CB 3.46Å; F351-W354 PolarHBondContact O-N 3.29Å; F351-C355 PolarHBondContact O-N 3.18Å; F351-C355 VanDerWaalsContact O-N 3.1Å
352A98.9Very high98.5Very high0 Ų027.1 Ų27.10%016%0.164CC..Hα-helixtrans-65.1-39.4169.500000112.1F32 L36 A348 C349 K350 W354 C355 L356 F382 L383 L386F32-A352 HydrophobicContact CZ-CB 4.26Å; L36-A352 HydrophobicContact CD2-CB 4.02Å; A348-A352 PolarHBondContact O-N 3.13Å; C349-A352 CarbonylContact O-C 3.39Å; C349-A352 WeakPolarHBondContact O-CA 3.45Å; C349-A352 WeakPolarHBondContact O-CB 3.5Å; C349-A352 PolarHBondContact O-N 3.26Å; K350-A352 VanDerWaalsContact C-N 3.32Å; A352-W354 VanDerWaalsContact C-N 3.3Å; A352-W354 PolarHBondContact O-N 2.99Å; A352-C355 CarbonylContact O-C 3.49Å; A352-C355 WeakPolarHBondContact O-CA 3.37Å; A352-C355 WeakPolarHBondContact O-CB 3.47Å; A352-C355 PolarHBondContact O-N 3.03Å; A352-L356 WeakPolarHBondContact O-CG 3.46Å; A352-L356 PolarHBondContact O-N 3.2Å; A352-F382 HydrophobicContact CB-CE1 3.81Å; A352-F382 HydrophobicContact CB-CZ 4.05Å; A352-L383 HydrophobicContact CB-CD2 3.89Å; A352-L386 HydrophobicContact CB-CD2 3.37Å
353E98.8Very high98.4Very high23 Ų2326.9 Ų26.911%0.10716%0.163CC..Hα-helixtrans-56.2-44.8171.5-68.4-160.4136.300111.9Y21 F32 R35 C349 K350 C355 L356Y21-E353 HydrophobicContact CE1-CG 3.93Å; Y21-E353 WeakPolarHBondContact CE1-OE1 3.29Å; Y21-E353 VanDerWaalsContact CZ-OE1 3.3Å; Y21-E353 PolarHBondContact OH-OE1 3.07Å; Y21-E353 PolarHBondContact OH-OE2 2.78Å; F32-E353 HydrophobicContact CE2-CG 4.16Å; R35-E353 IonicContact NH1-OE1 3.54Å; R35-E353 PolarHBondContact NH1-OE1 2.94Å; C349-E353 PolarHBondContact O-N 2.88Å; K350-E353 WeakPolarHBondContact CD-OE2 3.42Å; K350-E353 IonicContact NZ-OE2 3.71Å; K350-E353 PolarHBondContact NZ-OE2 2.76Å; K350-E353 WeakPolarHBondContact O-CB 3.44Å; K350-E353 PolarHBondContact O-N 3.11Å; E353-C355 VanDerWaalsContact C-N 3.26Å; E353-C355 PolarHBondContact O-N 3.47Å; E353-L356 WeakPolarHBondContact O-CB 3.4Å; E353-L356 PolarHBondContact O-N 2.91Å
354W98.9Very high98.3Very high15 Ų1530 Ų306%0.05717%0.174CC..Hα-helixtrans-58.2-38.9174.1-178.6-92.3000112.8F6 Y10 L314 Y319 K350 F351 A352 L356 D357 H361F6-W354 HydrophobicContact CB-CH2 3.79Å; F6-W354 HydrophobicContact CB-CZ2 4.17Å; F6-W354 HydrophobicContact CD1-CH2 4.23Å; F6-W354 AromaticContact CD2-CH2 3.75Å; F6-W354 HydrophobicContact CD2-CH2 3.75Å; F6-W354 AromaticContact CD2-CZ2 3.34Å; F6-W354 HydrophobicContact CD2-CZ2 3.34Å; F6-W354 HydrophobicContact CE2-CH2 4.33Å; F6-W354 AromaticContact CE2-CZ2 3.74Å; F6-W354 HydrophobicContact CE2-CZ2 3.74Å; F6-W354 AromaticContact CG-CH2 3.67Å; F6-W354 HydrophobicContact CG-CH2 3.67Å; F6-W354 AromaticContact CG-CZ2 3.79Å; F6-W354 HydrophobicContact CG-CZ2 3.79Å; Y10-W354 HydrophobicContact CE2-CB 4.21Å; Y10-W354 WeakPolarHBondContact OH-CA 3.48Å; Y10-W354 PolarHBondContact OH-N 3.27Å; Y10-W354 VanDerWaalsContact OH-N 3.16Å; L314-W354 HydrophobicContact CD1-CD2 4.05Å; L314-W354 HydrophobicContact CD1-CE3 3.87Å; L314-W354 HydrophobicContact CD1-CG 4.5Å; L314-W354 HydrophobicContact CD1-CZ3 4.28Å; L314-W354 HydrophobicContact CD2-CB 3.93Å; L314-W354 HydrophobicContact CD2-CD2 3.97Å; L314-W354 HydrophobicContact CD2-CG 3.65Å; L314-W354 HydrophobicContact CG-CD2 4.43Å; Y319-W354 AromaticContact CD1-CD1 3.81Å; Y319-W354 AromaticContact CD1-NE1 3.86Å; Y319-W354 AromaticContact CE1-CD1 3.62Å; Y319-W354 AromaticContact CE1-NE1 3.42Å; K350-W354 PolarHBondContact O-N 3.2Å; K350-W354 VanDerWaalsContact O-N 3.12Å; F351-W354 WeakPolarHBondContact O-CB 3.46Å; F351-W354 PolarHBondContact O-N 3.29Å; A352-W354 VanDerWaalsContact C-N 3.3Å; A352-W354 PolarHBondContact O-N 2.99Å; W354-L356 VanDerWaalsContact C-N 3.34Å; W354-D357 PolarHBondContact O-N 3.34Å; W354-H361 AromaticContact CD2-CD2 3.64Å; W354-H361 AromaticContact CD2-NE2 3.51Å; W354-H361 AromaticContact CE2-CD2 3.14Å; W354-H361 AromaticContact CE2-CG 3.81Å; W354-H361 AromaticContact CE2-NE2 3.56Å; W354-H361 AromaticContact CE3-CE1 3.93Å; W354-H361 AromaticContact CE3-NE2 3.66Å; W354-H361 HydrophobicContact CH2-CB 3.97Å; W354-H361 AromaticContact CH2-CD2 3.61Å; W354-H361 AromaticContact CH2-CE1 3.89Å; W354-H361 AromaticContact CH2-CG 3.43Å; W354-H361 VanDerWaalsContact CH2-CG 3.43Å; W354-H361 AromaticContact CH2-ND1 3.6Å; W354-H361 AromaticContact CH2-NE2 3.91Å; W354-H361 HydrophobicContact CZ2-CB 3.67Å; W354-H361 AromaticContact CZ2-CD2 3.13Å; W354-H361 WeakPolarHBondContact CZ2-CD2 3.45Å; W354-H361 AromaticContact CZ2-CG 3.27Å; W354-H361 AromaticContact CZ2-ND1 3.93Å; W354-H361 AromaticContact CZ2-NE2 3.78Å; W354-H361 AromaticContact CZ3-CE1 3.76Å; W354-H361 AromaticContact CZ3-ND1 3.88Å; W354-H361 AromaticContact CZ3-NE2 3.86Å; W354-H361 AromaticContact NE1-CD2 3.53Å; W354-H361 PolarHBondContact O-NE2 3.2Å
355C98.8Very high98.2Very high0 Ų034.4 Ų34.40%020%0.202CC..Hα-helixtrans-75-17.6175.7-70.30000113.9F351 A352 E353 D357 Y358 T379 L383F351-C355 PolarHBondContact O-N 3.18Å; F351-C355 VanDerWaalsContact O-N 3.1Å; A352-C355 CarbonylContact O-C 3.49Å; A352-C355 WeakPolarHBondContact O-CA 3.37Å; A352-C355 WeakPolarHBondContact O-CB 3.47Å; A352-C355 PolarHBondContact O-N 3.03Å; E353-C355 VanDerWaalsContact C-N 3.26Å; E353-C355 PolarHBondContact O-N 3.47Å; C355-D357 PolarHBondContact O-N 2.96Å; C355-Y358 WeakPolarHBondContact O-CB 3.47Å; C355-Y358 PolarHBondContact O-N 2.96Å; C355-T379 HydrophobicContact CB-CG2 3.84Å; C355-L383 HydrophobicContact CB-CD2 4.14Å
356L98.8Very high98.2Very high16 Ų1635.3 Ų35.38%0.08421%0.208CC..Hα-helixtrans-68.3-28.7172.6-67.7179.4000111.3F32 R35 L36 K39 A352 E353 W354 Y358F32-L356 HydrophobicContact CE2-CD1 4.4Å; R35-L356 HydrophobicContact CB-CD1 4.27Å; L36-L356 HydrophobicContact CD2-CD2 4.23Å; K39-L356 HydrophobicContact CB-CD2 3.42Å; K39-L356 VanDerWaalsContact CB-CD2 3.42Å; K39-L356 WeakPolarHBondContact CD-O 3.4Å; K39-L356 WeakPolarHBondContact CE-O 3.31Å; K39-L356 HydrophobicContact CG-CD2 3.73Å; K39-L356 PolarHBondContact NZ-O 3.49Å; K39-L356 VanDerWaalsContact NZ-O 3.12Å; A352-L356 WeakPolarHBondContact O-CG 3.46Å; A352-L356 PolarHBondContact O-N 3.2Å; E353-L356 WeakPolarHBondContact O-CB 3.4Å; E353-L356 PolarHBondContact O-N 2.91Å; W354-L356 VanDerWaalsContact C-N 3.34Å; L356-Y358 PolarHBondContact O-N 2.93Å
357D98.3Very high98.1Very high70 Ų7041.3 Ų41.337%0.37424%0.24SC..THydrogen-bonded Turntrans-89.734.4174.3-55.9-28.1000111.5W354 C355 G359 D360W354-D357 PolarHBondContact O-N 3.34Å; C355-D357 PolarHBondContact O-N 2.96Å; D357-G359 PolarHBondContact O-N 3.44Å; D357-G359 VanDerWaalsContact O-N 3.07Å; D357-D360 HydrophobicContact CB-CB 4.35Å; D357-D360 WeakPolarHBondContact O-CB 3.49Å; D357-D360 PolarHBondContact O-N 3.47Å
358Y98.4Very high98.1Very high39 Ų3943.1 Ų43.115%0.15325%0.252CS..THydrogen-bonded Turntrans-56116.9-177.7-169.7-76.4000111.1L43 Y319 C355 L356 M376 T379L43-Y358 HydrophobicContact CD2-CD1 4.26Å; L43-Y358 HydrophobicContact CD2-CG 4.19Å; Y319-Y358 HydrophobicContact CD1-CD2 4.27Å; Y319-Y358 AromaticContact CD2-CD2 3.71Å; Y319-Y358 HydrophobicContact CD2-CD2 3.71Å; Y319-Y358 AromaticContact CD2-CE2 3.61Å; Y319-Y358 HydrophobicContact CD2-CE2 3.61Å; Y319-Y358 HydrophobicContact CD2-CG 4.28Å; Y319-Y358 HydrophobicContact CE2-CD2 4.28Å; Y319-Y358 HydrophobicContact CE2-CE2 4.46Å; Y319-Y358 HydrophobicContact CE2-CG 4.42Å; Y319-Y358 AromaticContact CG-CD2 3.72Å; Y319-Y358 HydrophobicContact CG-CD2 3.72Å; Y319-Y358 AromaticContact CG-CE2 3.8Å; Y319-Y358 HydrophobicContact CG-CE2 3.8Å; C355-Y358 WeakPolarHBondContact O-CB 3.47Å; C355-Y358 PolarHBondContact O-N 2.96Å; L356-Y358 PolarHBondContact O-N 2.93Å; Y358-M376 HydrophobicContact CD1-CE 4.23Å; Y358-M376 HydrophobicContact CE1-CE 3.7Å; Y358-T379 HydrophobicContact CD2-CG2 4.02Å; Y358-T379 HydrophobicContact CE2-CG2 4.28Å
359G96.3Very high98.1Very high48 Ų4845 Ų4550%0.49526%0.264SS..THydrogen-bonded Turntrans104.2-14.3178.700000114.2Y319 D357Y319-G359 PolarHBondContact OH-N 3.05Å; D357-G359 PolarHBondContact O-N 3.44Å; D357-G359 VanDerWaalsContact O-N 3.07Å
360D97.3Very high98Very high122 Ų12247.1 Ų47.165%0.65227%0.273SS*.THydrogen-bonded Turntrans-90.2-7.2-169.2-61.6-32.1000114D357D357-D360 HydrophobicContact CB-CB 4.35Å; D357-D360 WeakPolarHBondContact O-CB 3.49Å; D357-D360 PolarHBondContact O-N 3.47Å
361H97.9Very high98Very high43 Ų4346.2 Ų46.220%0.19927%0.27CS..THydrogen-bonded Turntrans-96.35.3-175.8-52.9-47.5000114.7F6 Y319 W354 C363F6-H361 HydrophobicContact CE1-CB 4.49Å; F6-H361 WeakPolarHBondContact CE1-O 3.36Å; F6-H361 HydrophobicContact CE2-CB 4.22Å; F6-H361 HydrophobicContact CZ-CB 3.99Å; F6-H361 WeakPolarHBondContact CZ-O 3.28Å; Y319-H361 AromaticContact CE1-CD2 3.69Å; Y319-H361 AromaticContact CZ-CD2 3.71Å; Y319-H361 PolarHBondContact OH-CD2 2.9Å; W354-H361 AromaticContact CD2-CD2 3.64Å; W354-H361 AromaticContact CD2-NE2 3.51Å; W354-H361 AromaticContact CE2-CD2 3.14Å; W354-H361 AromaticContact CE2-CG 3.81Å; W354-H361 AromaticContact CE2-NE2 3.56Å; W354-H361 AromaticContact CE3-CE1 3.93Å; W354-H361 AromaticContact CE3-NE2 3.66Å; W354-H361 HydrophobicContact CH2-CB 3.97Å; W354-H361 AromaticContact CH2-CD2 3.61Å; W354-H361 AromaticContact CH2-CE1 3.89Å; W354-H361 AromaticContact CH2-CG 3.43Å; W354-H361 VanDerWaalsContact CH2-CG 3.43Å; W354-H361 AromaticContact CH2-ND1 3.6Å; W354-H361 AromaticContact CH2-NE2 3.91Å; W354-H361 HydrophobicContact CZ2-CB 3.67Å; W354-H361 AromaticContact CZ2-CD2 3.13Å; W354-H361 WeakPolarHBondContact CZ2-CD2 3.45Å; W354-H361 AromaticContact CZ2-CG 3.27Å; W354-H361 AromaticContact CZ2-ND1 3.93Å; W354-H361 AromaticContact CZ2-NE2 3.78Å; W354-H361 AromaticContact CZ3-CE1 3.76Å; W354-H361 AromaticContact CZ3-ND1 3.88Å; W354-H361 AromaticContact CZ3-NE2 3.86Å; W354-H361 AromaticContact NE1-CD2 3.53Å; W354-H361 PolarHBondContact O-NE2 3.2Å; H361-C363 VanDerWaalsContact C-N 3.26Å; H361-C363 PolarHBondContact O-N 2.88Å
362G97.4Very high98Very high73 Ų7346.2 Ų46.275%0.75327%0.27SS*.  trans67.624.4-177.400000114.1
363C97.4Very high98Very high27 Ų2746.2 Ų46.218%0.18227%0.27CS..PPolyproline II helixtrans-62.6146.3172.2-67.60000110.7Y319 H361Y319-C363 HydrophobicContact CE2-CB 3.94Å; H361-C363 VanDerWaalsContact C-N 3.26Å; H361-C363 PolarHBondContact O-N 2.88Å
364R95.6Very high98Very high114 Ų11446.6 Ų46.643%0.4327%0.272SS..PPolyproline II helixtrans-62149.4170.568.2-179.8-169.4122.112111K317 D367K317-R364 PolarHBondContact O-NE 3.38Å; R364-D367 IonicContact NH1-OD1 3.17Å
365T97.3Very high98Very high105 Ų10545.9 Ų45.964%0.64427%0.269SS*.PPolyproline II helixtrans-68132.9167.4-560000109.7P369T365-P369 HydrophobicContact CG2-CB 3.99Å; T365-P369 HydrophobicContact CG2-CG 3.64Å
366P97.7Very high98Very high18 Ų1846.3 Ų46.312%0.11727%0.271CS..PPolyproline II helixtrans-63.9158.8173.6-19.431.5000112.3T368 P369 E374P366-T368 VanDerWaalsContact C-N 3.27Å; P366-T368 PolarHBondContact O-N 3.3Å; P366-P369 WeakPolarHBondContact O-CD 3.23Å; P366-P369 WeakPolarHBondContact O-CG 3.36Å; P366-E374 HydrophobicContact CB-CB 4.13Å; P366-E374 WeakPolarHBondContact CG-O 3.39Å
367D97.9Very high98Very high128 Ų12845.5 Ų45.568%0.68427%0.267SS*.SBendtrans-64.3-37.3-179.9-57.8-7.8000110.7R364R364-D367 IonicContact NH1-OD1 3.17Å
368T98.3Very high98.1Very high42 Ų4242.2 Ų42.226%0.25825%0.249SC..SBendtrans-115.787.2166.757.40000110.4T63 P366 F370 S371 E374T63-T368 HydrophobicContact CG2-CG2 4.07Å; T63-T368 WeakPolarHBondContact CG2-OG1 3.32Å; P366-T368 VanDerWaalsContact C-N 3.27Å; P366-T368 PolarHBondContact O-N 3.3Å; T368-F370 PolarHBondContact O-N 3Å; T368-S371 PolarHBondContact O-N 3.4Å; T368-S371 VanDerWaalsContact O-N 3.17Å; T368-S371 PolarHBondContact O-OG 3.34Å; T368-S371 VanDerWaalsContact O-OG 3.05Å; T368-S371 VanDerWaalsContact OG1-CB 3.3Å; T368-S371 WeakPolarHBondContact OG1-CB 3.37Å; T368-S371 PolarHBondContact OG1-OG 3.06Å; T368-E374 PolarHBondContact N-OE2 2.76Å; T368-E374 PolarHBondContact OG1-OE2 3.32Å
369P98.6Very high98.1Very high39 Ų3940.3 Ų40.325%0.25324%0.242SC..THydrogen-bonded Turntrans-61.1-19.2-164.3-22.230000115.7T365 P366 G375 M376T365-P369 HydrophobicContact CG2-CB 3.99Å; T365-P369 HydrophobicContact CG2-CG 3.64Å; P366-P369 WeakPolarHBondContact O-CD 3.23Å; P366-P369 WeakPolarHBondContact O-CG 3.36Å; P369-G375 CarbonylContact O-C 3.52Å; P369-G375 WeakPolarHBondContact O-CA 3.48Å; P369-M376 PolarHBondContact O-N 3.07Å
370F98.8Very high98.2Very high46 Ų4638 Ų3820%0.20222%0.218CC..THydrogen-bonded Turntrans-115.70.6-173.2-52.1-64.6000113.3M47 L51 I68 T368 M376 A377M47-F370 HydrophobicContact CB-CD1 4.42Å; M47-F370 HydrophobicContact CG-CB 4.05Å; M47-F370 HydrophobicContact CG-CD1 4.4Å; L51-F370 HydrophobicContact CD2-CB 3.79Å; L51-F370 HydrophobicContact CG-CB 4.11Å; I68-F370 WeakPolarHBondContact CD1-O 3.35Å; T368-F370 PolarHBondContact O-N 3Å; F370-M376 HydrophobicContact CD1-CB 4.26Å; F370-M376 HydrophobicContact CD1-SD 4.4Å; F370-M376 HydrophobicContact CE1-CE 4.38Å; F370-A377 VanDerWaalsContact O-CB 3.24Å; F370-A377 WeakPolarHBondContact O-CB 3.49Å
371S98.9Very high98.3Very high3 Ų333.6 Ų33.62%0.02119%0.192CC..SBendtrans-71.5167-177.566.60000114T63 T368 E374 G375 A377T63-S371 VanDerWaalsContact O-CB 3.29Å; T63-S371 WeakPolarHBondContact O-CB 3.44Å; T368-S371 PolarHBondContact O-N 3.4Å; T368-S371 VanDerWaalsContact O-N 3.17Å; T368-S371 PolarHBondContact O-OG 3.34Å; T368-S371 VanDerWaalsContact O-OG 3.05Å; T368-S371 VanDerWaalsContact OG1-CB 3.3Å; T368-S371 WeakPolarHBondContact OG1-CB 3.37Å; T368-S371 PolarHBondContact OG1-OG 3.06Å; S371-E374 WeakPolarHBondContact OG-CB 3.34Å; S371-E374 PolarHBondContact OG-N 3.4Å; S371-G375 CarbonylContact O-C 3.27Å; S371-G375 WeakPolarHBondContact O-CA 3.23Å; S371-G375 PolarHBondContact O-N 3.1Å; S371-G375 VanDerWaalsContact O-N 3.08Å; S371-G375 PolarHBondContact OG-N 3Å; S371-A377 PolarHBondContact O-N 3.49Å
372L98.9Very high98.3Very high0 Ų031.5 Ų31.50%018%0.183CC..THydrogen-bonded Turntrans-66.6-47.9179.3-176.764.7000112.2V70 L321 G378 Y381V70-L372 HydrophobicContact CB-CD2 4.24Å; V70-L372 HydrophobicContact CG1-CD2 4.09Å; L321-L372 HydrophobicContact CD1-CD1 4.19Å; L321-L372 HydrophobicContact CD1-CG 4.38Å; L321-L372 WeakPolarHBondContact CD1-O 3.22Å; L372-G378 WeakPolarHBondContact O-CA 3.22Å; L372-G378 PolarHBondContact O-N 3.4Å; L372-Y381 HydrophobicContact CD1-CD2 4.17Å
373F98.9Very high98.4Very high0 Ų028 Ų280%015%0.147CC..THydrogen-bonded Turntrans-90.4-26.8-171.7-89.9-108000114.6Y62 L107 W275 L321 C322 F394 P395 A396Y62-F373 HydrophobicContact CD1-CB 4.41Å; Y62-F373 HydrophobicContact CD2-CB 3.35Å; Y62-F373 AromaticContact CD2-CD1 3.62Å; Y62-F373 HydrophobicContact CD2-CD1 3.62Å; Y62-F373 HydrophobicContact CD2-CD2 4.08Å; Y62-F373 HydrophobicContact CD2-CE1 4.46Å; Y62-F373 AromaticContact CD2-CG 3.38Å; Y62-F373 HydrophobicContact CD2-CG 3.38Å; Y62-F373 HydrophobicContact CE1-CB 4.35Å; Y62-F373 HydrophobicContact CE2-CB 3.34Å; Y62-F373 AromaticContact CE2-CD1 3.52Å; Y62-F373 HydrophobicContact CE2-CD1 3.52Å; Y62-F373 AromaticContact CE2-CG 3.61Å; Y62-F373 HydrophobicContact CE2-CG 3.61Å; Y62-F373 HydrophobicContact CG-CB 3.89Å; Y62-F373 HydrophobicContact CG-CG 4.22Å; Y62-F373 WeakPolarHBondContact O-CB 3.29Å; Y62-F373 PolarHBondContact O-N 2.92Å; L107-F373 HydrophobicContact CD1-CE1 4.3Å; L107-F373 HydrophobicContact CD1-CZ 4.13Å; L107-F373 HydrophobicContact CD2-CD2 3.77Å; L107-F373 HydrophobicContact CD2-CE1 4.18Å; L107-F373 HydrophobicContact CD2-CE2 3.21Å; L107-F373 HydrophobicContact CD2-CG 4.47Å; L107-F373 HydrophobicContact CD2-CZ 3.46Å; L107-F373 VanDerWaalsContact CD2-CZ 3.46Å; L107-F373 HydrophobicContact CG-CZ 4.45Å; W275-F373 HydrophobicContact CE3-CE1 4.27Å; W275-F373 AromaticContact CH2-CE1 3.83Å; W275-F373 HydrophobicContact CH2-CE1 3.83Å; W275-F373 HydrophobicContact CZ2-CE1 4.44Å; W275-F373 HydrophobicContact CZ3-CD1 4.05Å; W275-F373 AromaticContact CZ3-CE1 3.73Å; W275-F373 HydrophobicContact CZ3-CE1 3.73Å; L321-F373 PolarHBondContact N-O 3.35Å; L321-F373 VanDerWaalsContact N-O 3.15Å; C322-F373 HydrophobicContact CB-CB 4.22Å; C322-F373 HydrophobicContact CB-CD1 4.04Å; C322-F373 WeakPolarHBondContact CB-O 3.36Å; C322-F373 PolarHBondContact N-O 2.96Å; F373-F394 AromaticContact CE1-CE1 3.84Å; F373-F394 HydrophobicContact CE1-CE1 3.84Å; F373-F394 HydrophobicContact CE1-CZ 4.33Å; F373-F394 HydrophobicContact CZ-CE1 4.04Å; F373-P395 WeakPolarHBondContact CZ-O 3.19Å; F373-A396 HydrophobicContact CE2-CB 3.91Å; F373-A396 HydrophobicContact CZ-CB 3.89Å
374E98.8Very high98.5Very high31 Ų3126.8 Ų26.815%0.14514%0.138CC..THydrogen-bonded Turntrans-106.2-33.3-179-53-172.9150.200112.6Y62 T63 P366 T368 S371Y62-E374 HydrophobicContact CE1-CG 4.04Å; T63-E374 HydrophobicContact CG2-CG 4.2Å; P366-E374 HydrophobicContact CB-CB 4.13Å; P366-E374 WeakPolarHBondContact CG-O 3.39Å; T368-E374 PolarHBondContact N-OE2 2.76Å; T368-E374 PolarHBondContact OG1-OE2 3.32Å; S371-E374 WeakPolarHBondContact OG-CB 3.34Å; S371-E374 PolarHBondContact OG-N 3.4Å
375G98.4Very high98.6Very high0 Ų021.9 Ų21.90%012%0.121CC..SBendtrans-108.2-161.8-164.600000116.1P369 S371 A377 G378P369-G375 CarbonylContact O-C 3.52Å; P369-G375 WeakPolarHBondContact O-CA 3.48Å; S371-G375 CarbonylContact O-C 3.27Å; S371-G375 WeakPolarHBondContact O-CA 3.23Å; S371-G375 PolarHBondContact O-N 3.1Å; S371-G375 VanDerWaalsContact O-N 3.08Å; S371-G375 PolarHBondContact OG-N 3Å; G375-A377 VanDerWaalsContact C-N 3.34Å; G375-A377 PolarHBondContact O-N 2.89Å; G375-G378 PolarHBondContact O-N 3.18Å
376M98.9Very high98.7Very high8 Ų816.9 Ų16.94%0.0399%0.09CC..Hα-helixtrans-62.5-34.9-172.9-168.7177.2-76.400113.3L43 Q46 M47 Y358 P369 F370 G378 T379 I380L43-M376 HydrophobicContact CB-CG 4.17Å; L43-M376 HydrophobicContact CB-SD 4.02Å; L43-M376 HydrophobicContact CD2-CE 3.99Å; L43-M376 HydrophobicContact CD2-CG 4.36Å; L43-M376 HydrophobicContact CD2-SD 4.01Å; Q46-M376 HydrophobicContact CB-CE 4.07Å; Q46-M376 HydrophobicContact CB-SD 3.85Å; M47-M376 HydrophobicContact CB-CG 4.49Å; M47-M376 HydrophobicContact CB-SD 3.95Å; Y358-M376 HydrophobicContact CD1-CE 4.23Å; Y358-M376 HydrophobicContact CE1-CE 3.7Å; P369-M376 PolarHBondContact O-N 3.07Å; F370-M376 HydrophobicContact CD1-CB 4.26Å; F370-M376 HydrophobicContact CD1-SD 4.4Å; F370-M376 HydrophobicContact CE1-CE 4.38Å; M376-G378 PolarHBondContact O-N 3.1Å; M376-T379 PolarHBondContact O-N 2.99Å; M376-T379 VanDerWaalsContact O-N 3.13Å; M376-I380 HydrophobicContact CG-CD1 3.94Å; M376-I380 HydrophobicContact CG-CG1 4.31Å; M376-I380 VanDerWaalsContact O-CG1 3.31Å; M376-I380 WeakPolarHBondContact O-CG1 3.27Å; M376-I380 PolarHBondContact O-N 2.98Å
377A98.9Very high98.8Very high0 Ų017.5 Ų17.50%09%0.092CC..Hα-helixtrans-58.9-37.3178.700000111.7M47 I68 L71 F370 S371 G375 I380 Y381M47-A377 HydrophobicContact SD-CB 3.62Å; I68-A377 HydrophobicContact CD1-CB 3.73Å; L71-A377 HydrophobicContact CD2-CB 3.71Å; F370-A377 VanDerWaalsContact O-CB 3.24Å; F370-A377 WeakPolarHBondContact O-CB 3.49Å; S371-A377 PolarHBondContact O-N 3.49Å; G375-A377 VanDerWaalsContact C-N 3.34Å; G375-A377 PolarHBondContact O-N 2.89Å; A377-I380 PolarHBondContact O-N 2.97Å; A377-Y381 WeakPolarHBondContact O-CB 3.41Å; A377-Y381 PolarHBondContact O-N 3.11Å
378G98.9Very high98.8Very high0 Ų014.3 Ų14.30%08%0.077CC..Hα-helixtrans-65.1-42.2175.100000114.1L372 G375 M376 Y381 F382L372-G378 WeakPolarHBondContact O-CA 3.22Å; L372-G378 PolarHBondContact O-N 3.4Å; G375-G378 PolarHBondContact O-N 3.18Å; M376-G378 PolarHBondContact O-N 3.1Å; G378-Y381 WeakPolarHBondContact O-CB 3.48Å; G378-Y381 PolarHBondContact O-N 3.27Å; G378-F382 PolarHBondContact O-N 3.4Å; G378-F382 VanDerWaalsContact O-N 3.13Å
379T98.9Very high98.8Very high0 Ų012.6 Ų12.60%07%0.067CC..Hα-helixtrans-65.7-42.2175.5-52.60000111.1Y319 A326 C355 Y358 M376 Y381 F382 L383Y319-T379 WeakPolarHBondContact CB-OG1 3.45Å; Y319-T379 PolarHBondContact O-OG1 2.67Å; A326-T379 HydrophobicContact CB-CG2 4.43Å; C355-T379 HydrophobicContact CB-CG2 3.84Å; Y358-T379 HydrophobicContact CD2-CG2 4.02Å; Y358-T379 HydrophobicContact CE2-CG2 4.28Å; M376-T379 PolarHBondContact O-N 2.99Å; M376-T379 VanDerWaalsContact O-N 3.13Å; T379-Y381 VanDerWaalsContact C-N 3.33Å; T379-Y381 PolarHBondContact O-N 3.02Å; T379-F382 PolarHBondContact O-N 3.47Å; T379-L383 HydrophobicContact CG2-CD1 4.44Å; T379-L383 WeakPolarHBondContact O-CG 3.48Å; T379-L383 PolarHBondContact O-N 3Å; T379-L383 VanDerWaalsContact O-N 3.08Å
380I98.9Very high98.8Very high0 Ų014.3 Ų14.30%08%0.077CC..Hα-helixtrans-60.5-44.5175.3-64164.1000110.6I40 L43 L44 M47 L71 L75 M376 A377 F382 L383 A384I40-I380 HydrophobicContact CG2-CG2 4.03Å; L43-I380 HydrophobicContact CB-CD1 3.78Å; L43-I380 HydrophobicContact CB-CG1 3.67Å; L43-I380 HydrophobicContact CD1-CG1 4.21Å; L44-I380 HydrophobicContact CD2-CD1 3.99Å; L44-I380 HydrophobicContact CD2-CG2 4.12Å; L44-I380 HydrophobicContact CG-CD1 4.12Å; L44-I380 HydrophobicContact CG-CG2 4.11Å; M47-I380 HydrophobicContact CB-CD1 4.22Å; M47-I380 HydrophobicContact SD-CD1 3.83Å; L71-I380 HydrophobicContact CD1-CB 4.3Å; L71-I380 HydrophobicContact CD1-CG2 3.94Å; L71-I380 HydrophobicContact CD2-CB 4.32Å; L71-I380 HydrophobicContact CD2-CG2 4.27Å; L75-I380 HydrophobicContact CD2-CG2 4.44Å; M376-I380 HydrophobicContact CG-CD1 3.94Å; M376-I380 HydrophobicContact CG-CG1 4.31Å; M376-I380 VanDerWaalsContact O-CG1 3.31Å; M376-I380 WeakPolarHBondContact O-CG1 3.27Å; M376-I380 PolarHBondContact O-N 2.98Å; A377-I380 PolarHBondContact O-N 2.97Å; I380-F382 VanDerWaalsContact C-N 3.35Å; I380-F382 PolarHBondContact O-N 2.69Å; I380-L383 PolarHBondContact O-N 2.96Å; I380-A384 PolarHBondContact O-N 3.49Å
381Y98.9Very high98.8Very high28 Ų2819.5 Ų19.511%0.1110%0.099CC..Hα-helixtrans-54.1-52.8177.9-165.4-72.9000110.6V70 L71 H74 Y330 L372 A377 G378 T379 L383 A384 D385 P395V70-Y381 HydrophobicContact CG1-CE2 4.04Å; L71-Y381 HydrophobicContact CD1-CD2 4.08Å; L71-Y381 HydrophobicContact CD1-CG 4.45Å; H74-Y381 HydrophobicContact CB-CD2 4.08Å; H74-Y381 HydrophobicContact CB-CE2 3.36Å; H74-Y381 AromaticContact CD2-CD2 3.92Å; H74-Y381 AromaticContact CD2-CE1 3.99Å; H74-Y381 AromaticContact CD2-CE2 3.76Å; H74-Y381 AromaticContact CD2-CZ 3.77Å; H74-Y381 AromaticContact CG-CE2 3.49Å; H74-Y381 VanDerWaalsContact CG-CE2 3.49Å; H74-Y381 AromaticContact CG-CZ 3.46Å; H74-Y381 VanDerWaalsContact CG-CZ 3.46Å; H74-Y381 AromaticContact ND1-CZ 3.75Å; Y330-Y381 VanDerWaalsContact OH-CD1 3.28Å; Y330-Y381 WeakPolarHBondContact OH-CD1 3.36Å; L372-Y381 HydrophobicContact CD1-CD2 4.17Å; A377-Y381 WeakPolarHBondContact O-CB 3.41Å; A377-Y381 PolarHBondContact O-N 3.11Å; G378-Y381 WeakPolarHBondContact O-CB 3.48Å; G378-Y381 PolarHBondContact O-N 3.27Å; T379-Y381 VanDerWaalsContact C-N 3.33Å; T379-Y381 PolarHBondContact O-N 3.02Å; Y381-L383 PolarHBondContact O-N 3.02Å; Y381-A384 PolarHBondContact O-N 3.32Å; Y381-D385 HydrophobicContact CD1-CB 4.37Å; Y381-D385 HydrophobicContact CE1-CB 4.33Å; Y381-D385 VanDerWaalsContact O-CB 3.32Å; Y381-D385 WeakPolarHBondContact O-CB 3.39Å; Y381-D385 PolarHBondContact O-N 3.42Å; Y381-P395 HydrophobicContact CD1-CB 4.03Å; Y381-P395 HydrophobicContact CD1-CG 3.67Å; Y381-P395 HydrophobicContact CD2-CB 4.27Å; Y381-P395 HydrophobicContact CD2-CG 4.38Å; Y381-P395 HydrophobicContact CE1-CB 3.61Å; Y381-P395 HydrophobicContact CE1-CG 3.74Å; Y381-P395 HydrophobicContact CE2-CB 3.87Å; Y381-P395 HydrophobicContact CE2-CG 4.42Å; Y381-P395 HydrophobicContact CG-CB 4.36Å; Y381-P395 HydrophobicContact CG-CG 4.03Å
382F98.9Very high98.7Very high0 Ų019.4 Ų19.40%010%0.098CC..Hα-helixtrans-57-46.2177.9165.2-114.1000113.2A326 A329 Y330 L333 A352 G378 T379 I380 A384 D385 L386A326-F382 HydrophobicContact CB-CB 3.81Å; A326-F382 HydrophobicContact CB-CD1 3.76Å; A326-F382 HydrophobicContact CB-CG 3.93Å; A329-F382 HydrophobicContact CB-CD2 4.27Å; A329-F382 HydrophobicContact CB-CE1 3.99Å; A329-F382 HydrophobicContact CB-CE2 3.49Å; A329-F382 VanDerWaalsContact CB-CE2 3.49Å; A329-F382 HydrophobicContact CB-CZ 3.33Å; Y330-F382 AromaticContact CD2-CD2 4Å; Y330-F382 HydrophobicContact CD2-CD2 4Å; Y330-F382 HydrophobicContact CE2-CB 3.74Å; Y330-F382 AromaticContact CE2-CD2 3.75Å; Y330-F382 HydrophobicContact CE2-CD2 3.75Å; Y330-F382 HydrophobicContact CE2-CG 4.18Å; L333-F382 HydrophobicContact CD1-CD2 4.32Å; L333-F382 HydrophobicContact CD1-CE2 3.88Å; A352-F382 HydrophobicContact CB-CE1 3.81Å; A352-F382 HydrophobicContact CB-CZ 4.05Å; G378-F382 PolarHBondContact O-N 3.4Å; G378-F382 VanDerWaalsContact O-N 3.13Å; T379-F382 PolarHBondContact O-N 3.47Å; I380-F382 VanDerWaalsContact C-N 3.35Å; I380-F382 PolarHBondContact O-N 2.69Å; F382-A384 VanDerWaalsContact C-N 3.3Å; F382-A384 PolarHBondContact O-N 3.09Å; F382-D385 PolarHBondContact O-N 3Å; F382-L386 HydrophobicContact CZ-CD2 4.27Å; F382-L386 WeakPolarHBondContact O-CB 3.38Å; F382-L386 PolarHBondContact O-N 3.47Å
383L98.9Very high98.7Very high0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-63.3-38.8-179.5-65.4176.7000111.7L36 K39 I40 L43 A352 C355 T379 I380 Y381L36-L383 HydrophobicContact CD2-CD2 3.89Å; K39-L383 HydrophobicContact CG-CD1 4.31Å; I40-L383 HydrophobicContact CD1-CB 3.97Å; I40-L383 HydrophobicContact CG1-CB 3.72Å; I40-L383 HydrophobicContact CG1-CD1 4.45Å; L43-L383 HydrophobicContact CD1-CD1 4.22Å; A352-L383 HydrophobicContact CB-CD2 3.89Å; C355-L383 HydrophobicContact CB-CD2 4.14Å; T379-L383 HydrophobicContact CG2-CD1 4.44Å; T379-L383 WeakPolarHBondContact O-CG 3.48Å; T379-L383 PolarHBondContact O-N 3Å; T379-L383 VanDerWaalsContact O-N 3.08Å; I380-L383 PolarHBondContact O-N 2.96Å; Y381-L383 PolarHBondContact O-N 3.02Å
384A98.9Very high98.7Very high0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-68.9-4317700000111.5I40 L75 F79 I380 Y381 F382 L386 L387I40-A384 HydrophobicContact CD1-CB 3.97Å; L75-A384 HydrophobicContact CD2-CB 3.75Å; F79-A384 HydrophobicContact CE2-CB 4.34Å; I380-A384 PolarHBondContact O-N 3.49Å; Y381-A384 PolarHBondContact O-N 3.32Å; F382-A384 VanDerWaalsContact C-N 3.3Å; F382-A384 PolarHBondContact O-N 3.09Å; A384-L386 VanDerWaalsContact C-N 3.32Å; A384-L386 PolarHBondContact O-N 2.72Å; A384-L387 VanDerWaalsContact O-CB 3.24Å; A384-L387 WeakPolarHBondContact O-CB 3.29Å; A384-L387 WeakPolarHBondContact O-CG 3.23Å; A384-L387 PolarHBondContact O-N 3.26Å; A384-L387 VanDerWaalsContact O-N 3.13Å
385D98.8Very high98.7Very high11 Ų1121.8 Ų21.86%0.05911%0.106CC..Hα-helixtrans-68.1-32.9-178.2-154.829.8000112.1H74 Y330 Y381 F382 L387 V388 A392 R393H74-D385 IonicContact CE1-OD1 3.1Å; H74-D385 PolarHBondContact CE1-OD1 2.86Å; H74-D385 PolarHBondContact NE2-N 2.89Å; H74-D385 IonicContact NE2-OD1 3.46Å; Y330-D385 WeakPolarHBondContact CE1-OD2 3.5Å; Y330-D385 VanDerWaalsContact OH-CB 3.23Å; Y330-D385 WeakPolarHBondContact OH-CB 3.42Å; Y330-D385 PolarHBondContact OH-OD2 3.33Å; Y381-D385 HydrophobicContact CD1-CB 4.37Å; Y381-D385 HydrophobicContact CE1-CB 4.33Å; Y381-D385 VanDerWaalsContact O-CB 3.32Å; Y381-D385 WeakPolarHBondContact O-CB 3.39Å; Y381-D385 PolarHBondContact O-N 3.42Å; F382-D385 PolarHBondContact O-N 3Å; D385-L387 PolarHBondContact O-N 2.98Å; D385-V388 CarbonylContact O-C 3.56Å; D385-V388 PolarHBondContact O-N 2.77Å; D385-A392 HydrophobicContact CB-CB 4.41Å; D385-A392 VanDerWaalsContact CG-CA 3.46Å; D385-A392 WeakPolarHBondContact OD1-CA 3.37Å; D385-A392 WeakPolarHBondContact OD2-CA 3.27Å; D385-A392 WeakPolarHBondContact OD2-CB 3.45Å; D385-R393 PolarHBondContact OD2-N 2.74Å
386L98.9Very high98.7Very high0 Ų022 Ų220%011%0.108CC..THydrogen-bonded Turntrans-61.8-22.5173.5-178.962.2000112.9L28 F32 L36 L333 L345 A348 A352 F382 A384 V388 P389L28-L386 HydrophobicContact CD1-CG 4.28Å; L28-L386 VanDerWaalsContact CD1-O 3.29Å; L28-L386 WeakPolarHBondContact CD1-O 3.29Å; F32-L386 HydrophobicContact CE1-CD2 4.26Å; L36-L386 HydrophobicContact CD1-CD2 4.02Å; L36-L386 HydrophobicContact CD1-CG 4.21Å; L36-L386 HydrophobicContact CD2-CD2 4.42Å; L333-L386 HydrophobicContact CD1-CD1 4.46Å; L333-L386 HydrophobicContact CD2-CD1 3.94Å; L345-L386 HydrophobicContact CD1-CD1 4.29Å; A348-L386 HydrophobicContact CB-CD1 4.35Å; A352-L386 HydrophobicContact CB-CD2 3.37Å; F382-L386 HydrophobicContact CZ-CD2 4.27Å; F382-L386 WeakPolarHBondContact O-CB 3.38Å; F382-L386 PolarHBondContact O-N 3.47Å; A384-L386 VanDerWaalsContact C-N 3.32Å; A384-L386 PolarHBondContact O-N 2.72Å; L386-V388 PolarHBondContact O-N 2.81Å; L386-V388 VanDerWaalsContact O-N 3.14Å; L386-P389 HydrophobicContact CD1-CG 4.32Å; L386-P389 WeakPolarHBondContact O-CD 3.23Å; L386-P389 VanDerWaalsContact O-CG 3.28Å; L386-P389 WeakPolarHBondContact O-CG 3.48Å
387L98.8Very high98.7Very high31 Ų3121.6 Ų21.616%0.16211%0.107CC..THydrogen-bonded Turntrans-59.7-26177-68168.8000112.6L36 I40 V78 F79 A384 D385L36-L387 HydrophobicContact CB-CD2 4.13Å; L36-L387 HydrophobicContact CD1-CD2 4.02Å; I40-L387 HydrophobicContact CD1-CD1 4.25Å; V78-L387 HydrophobicContact CG1-CD1 3.92Å; F79-L387 HydrophobicContact CE1-CD1 3.77Å; F79-L387 HydrophobicContact CE2-CD1 4.47Å; F79-L387 HydrophobicContact CZ-CD1 3.52Å; A384-L387 VanDerWaalsContact O-CB 3.24Å; A384-L387 WeakPolarHBondContact O-CB 3.29Å; A384-L387 WeakPolarHBondContact O-CG 3.23Å; A384-L387 PolarHBondContact O-N 3.26Å; A384-L387 VanDerWaalsContact O-N 3.13Å; D385-L387 PolarHBondContact O-N 2.98Å
388V98.4Very high98.7Very high61 Ų6122.6 Ų22.637%0.3711%0.111SC..SBendtrans-130.176.9174.1-167.90000109.4D385 L386 T390 K391 A392D385-V388 CarbonylContact O-C 3.56Å; D385-V388 PolarHBondContact O-N 2.77Å; L386-V388 PolarHBondContact O-N 2.81Å; L386-V388 VanDerWaalsContact O-N 3.14Å; V388-T390 PolarHBondContact O-N 2.95Å; V388-K391 HydrophobicContact CB-CB 4.43Å; V388-K391 HydrophobicContact CG1-CB 4.07Å; V388-K391 HydrophobicContact CG1-CD 3.94Å; V388-K391 HydrophobicContact CG1-CG 3.88Å; V388-K391 PolarHBondContact O-N 2.81Å; V388-A392 PolarHBondContact O-N 3.09Å
389P98.4Very high98.3Very high7 Ų724.9 Ų24.95%0.04512%0.123CC..G310 helixtrans-56.1-34.2-166.9-24.631.4000114.9L28 L333 Y336 N337 L345 L386 K391 A392L28-P389 HydrophobicContact CD2-CG 4.2Å; L28-P389 HydrophobicContact CG-CG 4.3Å; L333-P389 HydrophobicContact CD2-CB 4.24Å; Y336-P389 HydrophobicContact CE1-CB 4.17Å; N337-P389 PolarHBondContact ND2-O 3.49Å; N337-P389 VanDerWaalsContact ND2-O 3.09Å; N337-P389 PolarHBondContact OD1-O 3.4Å; L345-P389 HydrophobicContact CD1-CB 3.54Å; L345-P389 HydrophobicContact CD1-CG 3.6Å; L386-P389 HydrophobicContact CD1-CG 4.32Å; L386-P389 WeakPolarHBondContact O-CD 3.23Å; L386-P389 VanDerWaalsContact O-CG 3.28Å; L386-P389 WeakPolarHBondContact O-CG 3.48Å; P389-K391 PolarHBondContact O-N 3Å; P389-A392 WeakPolarHBondContact O-CB 3.41Å; P389-A392 PolarHBondContact O-N 2.97Å; P389-A392 VanDerWaalsContact O-N 3.16Å
390T98.1Very high98.3Very high75 Ų7526.1 Ų26.146%0.4613%0.129SC..G310 helixtrans-67.1-24.4-179.855.30000113.4Y336 N337 V388 R393Y336-T390 HydrophobicContact CE1-CG2 4.41Å; N337-T390 WeakPolarHBondContact OD1-CA 3.38Å; V388-T390 PolarHBondContact O-N 2.95Å; T390-R393 PolarHBondContact O-NH1 3.27Å
391K98.3Very high98.3Very high155 Ų15527.5 Ų27.567%0.67414%0.136SC*.G310 helixtrans-96.1-9.5175.8-66.2-171.6-179-1800113.1V388 P389 R393V388-K391 HydrophobicContact CB-CB 4.43Å; V388-K391 HydrophobicContact CG1-CB 4.07Å; V388-K391 HydrophobicContact CG1-CD 3.94Å; V388-K391 HydrophobicContact CG1-CG 3.88Å; V388-K391 PolarHBondContact O-N 2.81Å; P389-K391 PolarHBondContact O-N 3Å; K391-R393 PolarHBondContact O-N 3.39Å
392A98.7Very high98.2Very high0 Ų027.4 Ų27.40%014%0.137CC..  trans-62.4135.6-174.300000112.3Y330 L333 N337 D385 V388 P389Y330-A392 HydrophobicContact CE1-CB 4.4Å; L333-A392 HydrophobicContact CD1-CB 3.79Å; N337-A392 PolarHBondContact ND2-O 3.13Å; D385-A392 HydrophobicContact CB-CB 4.41Å; D385-A392 VanDerWaalsContact CG-CA 3.46Å; D385-A392 WeakPolarHBondContact OD1-CA 3.37Å; D385-A392 WeakPolarHBondContact OD2-CA 3.27Å; D385-A392 WeakPolarHBondContact OD2-CB 3.45Å; V388-A392 PolarHBondContact O-N 3.09Å; P389-A392 WeakPolarHBondContact O-CB 3.41Å; P389-A392 PolarHBondContact O-N 2.97Å; P389-A392 VanDerWaalsContact O-N 3.16Å
393R98.7Very high98.2Very high77 Ų7729.1 Ų29.129%0.29115%0.145SC..  trans-142.7133.4-178.6-66.2-64.2-178.2-85.1-1.7109.8Y330 N337 D385 T390 K391 P395 E398Y330-R393 WeakPolarHBondContact CE1-O 3.43Å; N337-R393 PolarHBondContact ND2-NH1 3.43Å; D385-R393 PolarHBondContact OD2-N 2.74Å; T390-R393 PolarHBondContact O-NH1 3.27Å; K391-R393 PolarHBondContact O-N 3.39Å; R393-P395 WeakPolarHBondContact O-CD 3.29Å; R393-P395 VanDerWaalsContact O-N 3.12Å; R393-E398 WeakPolarHBondContact CA-OE2 3.44Å; R393-E398 HydrophobicContact CB-CB 4.31Å; R393-E398 VanDerWaalsContact CD-CD 3.42Å
394F98.9Very high98.1Very high0 Ų030.9 Ų30.90%016%0.155CC..  trans-60.3118.4173.5-171.1-69.9000109.3W275 Y284 L321 Y330 F373 F397 E398W275-F394 HydrophobicContact CB-CE2 3.93Å; W275-F394 HydrophobicContact CB-CZ 3.94Å; W275-F394 AromaticContact CD1-CE2 3.72Å; W275-F394 AromaticContact CD1-CZ 3.66Å; W275-F394 AromaticContact CD2-CE1 3.99Å; W275-F394 HydrophobicContact CD2-CE1 3.99Å; W275-F394 HydrophobicContact CD2-CE2 4.41Å; W275-F394 AromaticContact CD2-CZ 3.67Å; W275-F394 HydrophobicContact CD2-CZ 3.67Å; W275-F394 AromaticContact CE2-CE1 3.82Å; W275-F394 AromaticContact CE2-CZ 3.98Å; W275-F394 HydrophobicContact CE3-CZ 4.29Å; W275-F394 HydrophobicContact CG-CE1 4.13Å; W275-F394 AromaticContact CG-CE2 3.75Å; W275-F394 HydrophobicContact CG-CE2 3.75Å; W275-F394 AromaticContact CG-CZ 3.47Å; W275-F394 HydrophobicContact CG-CZ 3.47Å; W275-F394 VanDerWaalsContact CG-CZ 3.47Å; W275-F394 HydrophobicContact CZ2-CE1 4.31Å; W275-F394 AromaticContact NE1-CE1 3.85Å; W275-F394 AromaticContact NE1-CZ 3.95Å; Y284-F394 HydrophobicContact CE1-CB 4.28Å; Y284-F394 VanDerWaalsContact OH-CB 3.31Å; Y284-F394 WeakPolarHBondContact OH-CB 3.32Å; Y284-F394 WeakPolarHBondContact OH-CD2 3.43Å; L321-F394 HydrophobicContact CB-CE2 4.44Å; L321-F394 HydrophobicContact CB-CZ 3.96Å; Y330-F394 HydrophobicContact CD1-CB 4.09Å; Y330-F394 HydrophobicContact CD2-CB 4.5Å; Y330-F394 AromaticContact CD2-CD2 3.81Å; Y330-F394 HydrophobicContact CD2-CD2 3.81Å; Y330-F394 HydrophobicContact CD2-CE2 4.46Å; Y330-F394 HydrophobicContact CD2-CG 4.42Å; Y330-F394 HydrophobicContact CG-CB 4.05Å; Y330-F394 AromaticContact CG-CD2 3.84Å; Y330-F394 HydrophobicContact CG-CD2 3.84Å; Y330-F394 HydrophobicContact CG-CG 4.34Å; F373-F394 AromaticContact CE1-CE1 3.84Å; F373-F394 HydrophobicContact CE1-CE1 3.84Å; F373-F394 HydrophobicContact CE1-CZ 4.33Å; F373-F394 HydrophobicContact CZ-CE1 4.04Å; F394-F397 HydrophobicContact CD1-CB 3.87Å; F394-F397 HydrophobicContact CE1-CB 4.36Å; F394-F397 PolarHBondContact O-N 2.92Å; F394-E398 HydrophobicContact CB-CB 4.07Å; F394-E398 PolarHBondContact N-OE2 3.32Å; F394-E398 PolarHBondContact O-N 3.14Å
395P98.8Very high98.1Very high4 Ų432.9 Ų32.93%0.02617%0.165CC..THydrogen-bonded Turntrans-66.7148.3-169.626.3-35.1000112L321 F373 Y381 R393 F397L321-P395 HydrophobicContact CD1-CG 3.41Å; L321-P395 VanDerWaalsContact CD1-CG 3.41Å; F373-P395 WeakPolarHBondContact CZ-O 3.19Å; Y381-P395 HydrophobicContact CD1-CB 4.03Å; Y381-P395 HydrophobicContact CD1-CG 3.67Å; Y381-P395 HydrophobicContact CD2-CB 4.27Å; Y381-P395 HydrophobicContact CD2-CG 4.38Å; Y381-P395 HydrophobicContact CE1-CB 3.61Å; Y381-P395 HydrophobicContact CE1-CG 3.74Å; Y381-P395 HydrophobicContact CE2-CB 3.87Å; Y381-P395 HydrophobicContact CE2-CG 4.42Å; Y381-P395 HydrophobicContact CG-CB 4.36Å; Y381-P395 HydrophobicContact CG-CG 4.03Å; R393-P395 WeakPolarHBondContact O-CD 3.29Å; R393-P395 VanDerWaalsContact O-N 3.12Å; P395-F397 PolarHBondContact O-N 3.01Å; P395-F397 VanDerWaalsContact O-N 3.15Å
396A98.7Very high98Very high5 Ų534.5 Ų34.54%0.04117%0.172CC..THydrogen-bonded Turntrans58.622.3177.900000115.1F106 L107 M151 F160 F373F106-A396 HydrophobicContact CD1-CB 3.75Å; F106-A396 HydrophobicContact CE1-CB 3.74Å; L107-A396 HydrophobicContact CD2-CB 3.6Å; L107-A396 HydrophobicContact CG-CB 4.22Å; M151-A396 WeakPolarHBondContact CE-O 3.45Å; F160-A396 VanDerWaalsContact CE1-CA 3.5Å; F160-A396 HydrophobicContact CE1-CB 4.11Å; F160-A396 HydrophobicContact CZ-CB 4.37Å; F373-A396 HydrophobicContact CE2-CB 3.91Å; F373-A396 HydrophobicContact CZ-CB 3.89Å
397F98.9Very high98Very high0 Ų037.2 Ų37.20%019%0.186CC..THydrogen-bonded Turntrans-151.6-52.4177175.8-105.4000113.6M151 A217 Y226 Y227 W275 Y284 F394 P395M151-F397 HydrophobicContact CG-CD2 4.09Å; M151-F397 HydrophobicContact SD-CD2 4.01Å; A217-F397 HydrophobicContact CB-CE2 4.13Å; A217-F397 HydrophobicContact CB-CZ 3.89Å; Y226-F397 HydrophobicContact CD1-CE1 4.17Å; Y226-F397 HydrophobicContact CD1-CE2 4.07Å; Y226-F397 AromaticContact CD1-CZ 3.66Å; Y226-F397 HydrophobicContact CD1-CZ 3.66Å; Y226-F397 HydrophobicContact CE1-CE1 4.22Å; Y226-F397 HydrophobicContact CE1-CZ 4.13Å; Y226-F397 HydrophobicContact CG-CZ 4.22Å; Y227-F397 HydrophobicContact CE2-CD2 4.04Å; Y227-F397 AromaticContact CE2-CE2 3.96Å; Y227-F397 HydrophobicContact CE2-CE2 3.96Å; Y227-F397 PolarHBondContact OH-O 2.75Å; W275-F397 HydrophobicContact CZ2-CB 3.94Å; W275-F397 HydrophobicContact CZ2-CD1 4.47Å; W275-F397 AromaticContact CZ2-CD2 3.76Å; W275-F397 HydrophobicContact CZ2-CD2 3.76Å; W275-F397 HydrophobicContact CZ2-CE2 4.41Å; W275-F397 AromaticContact CZ2-CG 3.79Å; W275-F397 HydrophobicContact CZ2-CG 3.79Å; W275-F397 AromaticContact NE1-CD1 3.43Å; W275-F397 AromaticContact NE1-CE1 3.74Å; W275-F397 AromaticContact NE1-CG 3.64Å; Y284-F397 HydrophobicContact CD1-CD1 4.44Å; Y284-F397 AromaticContact CD1-CE1 3.98Å; Y284-F397 HydrophobicContact CD1-CE1 3.98Å; Y284-F397 HydrophobicContact CD2-CD1 4.39Å; Y284-F397 AromaticContact CD2-CE1 3.65Å; Y284-F397 HydrophobicContact CD2-CE1 3.65Å; Y284-F397 HydrophobicContact CE2-CE1 4.21Å; Y284-F397 HydrophobicContact CG-CD1 4.35Å; Y284-F397 AromaticContact CG-CE1 3.53Å; Y284-F397 HydrophobicContact CG-CE1 3.53Å; Y284-F397 HydrophobicContact CG-CZ 4.43Å; F394-F397 HydrophobicContact CD1-CB 3.87Å; F394-F397 HydrophobicContact CE1-CB 4.36Å; F394-F397 PolarHBondContact O-N 2.92Å; P395-F397 PolarHBondContact O-N 3.01Å; P395-F397 VanDerWaalsContact O-N 3.15Å
398E98.6Very high97.9Very high20 Ų2037.7 Ų37.79%0.09319%0.188CC..  trans-81.3133.7-178.6-164.6-177.4178.300110.6Y284 R393 F394Y284-E398 HydrophobicContact CD1-CG 4.21Å; Y284-E398 HydrophobicContact CE1-CB 4.24Å; Y284-E398 HydrophobicContact CE1-CG 4.06Å; R393-E398 WeakPolarHBondContact CA-OE2 3.44Å; R393-E398 HydrophobicContact CB-CB 4.31Å; R393-E398 VanDerWaalsContact CD-CD 3.42Å; F394-E398 HydrophobicContact CB-CB 4.07Å; F394-E398 PolarHBondContact N-OE2 3.32Å; F394-E398 PolarHBondContact O-N 3.14Å
399L90.5Very high97.9Very high48 Ų4835.5 Ų35.525%0.25117%0.171SC..  trans-92.60-175.2-67170.6000114.2F160 L163 K167 Y226 Y227 Q230F160-L399 HydrophobicContact CD2-CD2 3.89Å; F160-L399 HydrophobicContact CE2-CD2 4.09Å; L163-L399 HydrophobicContact CB-CD2 3.9Å; L163-L399 HydrophobicContact CD1-CD1 3.53Å; L163-L399 HydrophobicContact CD1-CD2 3.89Å; L163-L399 HydrophobicContact CD1-CG 4.38Å; K167-L399 PolarHBondContact NZ-OXT 3.23Å; Y226-L399 PolarHBondContact OH-N 3.23Å; Y227-L399 HydrophobicContact CD1-CD1 4.48Å; Y227-L399 HydrophobicContact CE1-CD1 4.07Å; Q230-L399 HydrophobicContact CB-CD1 4.4Å; Q230-L399 HydrophobicContact CG-CD1 3.81Å

Retrieved 399 of 399 residues in 85.6 ms (Link to these results)

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