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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 (A0A2K5N246), UniProt , Accession A0A096MVE3, Species PAPAN (Papio anubis, Olive baboon), 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 high98.2Very high31 Ų3170.7 Ų70.715%0.15340%0.395CS..  0-560-63.1170.4-71.500114Q3 R4 N260 D270 V273 V308 Y312M1-Q3 VanDerWaalsContact C-N 3.25Å; M1-Q3 PolarHBondContact O-N 3.09Å; M1-R4 WeakPolarHBondContact O-CB 3.5Å; M1-R4 PolarHBondContact O-N 2.78Å; M1-N260 HydrophobicContact SD-CB 3.87Å; M1-D270 VanDerWaalsContact CE-OD2 3.26Å; M1-D270 WeakPolarHBondContact CE-OD2 3.43Å; M1-D270 WeakPolarHBondContact CG-O 3.33Å; M1-D270 PolarHBondContact N-O 2.99Å; M1-V273 HydrophobicContact CB-CG2 4.33Å; M1-V273 HydrophobicContact CG-CG2 3.86Å; M1-V273 HydrophobicContact SD-CG2 3.87Å; M1-V308 HydrophobicContact SD-CG1 4.08Å; M1-Y312 HydrophobicContact CB-CD1 4.11Å; M1-Y312 HydrophobicContact CB-CD2 4.23Å; M1-Y312 HydrophobicContact CB-CG 3.92Å; M1-Y312 HydrophobicContact CE-CD2 4.14Å; M1-Y312 HydrophobicContact CE-CE2 3.99Å; M1-Y312 HydrophobicContact SD-CD2 4Å; M1-Y312 HydrophobicContact SD-CE2 4.46Å
2A97.1Very high98.3Very high64 Ų6469.8 Ų69.853%0.52939%0.388SS..G310 helixtrans-47.4-37.3-171.600000116.2R4 A5 Y312A2-R4 PolarHBondContact O-N 3.18Å; A2-A5 PolarHBondContact O-N 2.67Å; A2-A5 VanDerWaalsContact O-O 3.06Å; A2-Y312 HydrophobicContact CB-CD1 4.38Å; A2-Y312 HydrophobicContact CB-CE1 3.91Å
3Q97.6Very high98.3Very high166 Ų16669.3 Ų69.378%0.77638%0.378SS*.G310 helixtrans-62.8-28178.2-66.6173.2-8.800113.9M1 K316M1-Q3 VanDerWaalsContact C-N 3.25Å; M1-Q3 PolarHBondContact O-N 3.09Å; Q3-K316 WeakPolarHBondContact O-CD 3.38Å; Q3-K316 PolarHBondContact O-NZ 2.93Å; Q3-K316 VanDerWaalsContact O-NZ 3.08Å
4R98.3Very high98.2Very high128 Ų12869.5 Ų69.548%0.48338%0.378SS..G310 helixtrans-88.6-11-178.7-68.7-73.7-170.4151.41.7113.3M1 A2 K316M1-R4 WeakPolarHBondContact O-CB 3.5Å; M1-R4 PolarHBondContact O-N 2.78Å; A2-R4 PolarHBondContact O-N 3.18Å; R4-K316 WeakPolarHBondContact O-CB 3.31Å; R4-K316 PolarHBondContact O-N 3.4Å
5A98.6Very high98.1Very high4 Ų475.5 Ų75.53%0.03340%0.399CS..BIsolated β-bridgetrans-113.2156.3-177.200000111A2 Y312 L314 K316A2-A5 PolarHBondContact O-N 2.67Å; A2-A5 VanDerWaalsContact O-O 3.06Å; A5-Y312 VanDerWaalsContact CB-O 3.31Å; A5-Y312 WeakPolarHBondContact CB-O 3.5Å; 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 3.4Å
6F98.8Very high98.1Very high42 Ų4276.1 Ų76.118%0.18441%0.412CS..  trans-78.8145.6158.9-62.7-82.3000108.8N8 L314 K316 W354 H361F6-N8 PolarHBondContact O-N 3.05Å; F6-L314 HydrophobicContact CB-CB 4.42Å; F6-L314 PolarHBondContact N-O 2.98Å; F6-K316 HydrophobicContact CD1-CG 4.28Å; F6-K316 HydrophobicContact CD2-CG 3.95Å; F6-K316 HydrophobicContact CE1-CG 4.01Å; F6-K316 VanDerWaalsContact CE2-CA 3.43Å; F6-K316 HydrophobicContact CE2-CB 4.11Å; F6-K316 HydrophobicContact CE2-CG 3.69Å; F6-K316 HydrophobicContact CG-CG 4.26Å; F6-K316 HydrophobicContact CZ-CB 4.27Å; F6-K316 HydrophobicContact CZ-CG 3.7Å; F6-W354 HydrophobicContact CB-CH2 3.77Å; F6-W354 HydrophobicContact CB-CZ2 4.14Å; F6-W354 HydrophobicContact CD1-CH2 4.21Å; F6-W354 AromaticContact CD2-CH2 3.75Å; F6-W354 HydrophobicContact CD2-CH2 3.75Å; F6-W354 AromaticContact CD2-CZ2 3.32Å; F6-W354 HydrophobicContact CD2-CZ2 3.32Å; F6-W354 HydrophobicContact CE2-CH2 4.34Å; F6-W354 AromaticContact CE2-CZ2 3.71Å; F6-W354 HydrophobicContact CE2-CZ2 3.71Å; F6-W354 AromaticContact CG-CH2 3.65Å; F6-W354 HydrophobicContact CG-CH2 3.65Å; F6-W354 AromaticContact CG-CZ2 3.76Å; F6-W354 HydrophobicContact CG-CZ2 3.76Å; F6-W354 HydrophobicContact CZ-CZ2 4.47Å; F6-H361 HydrophobicContact CE1-CB 4.47Å; F6-H361 HydrophobicContact CE2-CB 4.18Å; F6-H361 HydrophobicContact CZ-CB 3.94Å; F6-H361 WeakPolarHBondContact CZ-O 3.29Å
7P98.7Very high98.1Very high118 Ų11875.8 Ų75.877%0.76641%0.409SS*.  trans-56130.6166.4-20.432.6000109.3P9P7-P9 VanDerWaalsContact O-CD 3.24Å; P7-P9 WeakPolarHBondContact O-CD 3.46Å
8N98.8Very high98.1Very high37 Ų3771.8 Ų71.820%0.19839%0.388CS..  trans-68115.2177.6-175.9-9.5000109.8F6 Y10 W310 L314F6-N8 PolarHBondContact O-N 3.05Å; N8-Y10 VanDerWaalsContact C-N 3.3Å; N8-Y10 WeakPolarHBondContact OD1-CB 3.46Å; N8-Y10 WeakPolarHBondContact OD1-CD2 3.3Å; N8-Y10 PolarHBondContact OD1-N 3.43Å; N8-W310 VanDerWaalsContact ND2-CD2 3.29Å; N8-W310 WeakPolarHBondContact ND2-CZ2 3.47Å; N8-W310 PolarHBondContact ND2-O 3.32Å; N8-L314 HydrophobicContact CB-CD1 4.27Å
9P98.6Very high98.1Very high86 Ų8675.3 Ų75.356%0.55840%0.402SS*.  trans-82.3-10.3-176.635-35.5000112.7P7 W354P7-P9 VanDerWaalsContact O-CD 3.24Å; P7-P9 WeakPolarHBondContact O-CD 3.46Å; P9-W354 HydrophobicContact CG-CZ3 4.47Å
10Y98.8Very high98.1Very high41 Ų4173.8 Ų73.816%0.16141%0.405CS..SBendtrans-88.5132.8-171.8-50.1-59.8000111.4N8 L314 K350 E353 W354N8-Y10 VanDerWaalsContact C-N 3.3Å; N8-Y10 WeakPolarHBondContact OD1-CB 3.46Å; N8-Y10 WeakPolarHBondContact OD1-CD2 3.3Å; N8-Y10 PolarHBondContact OD1-N 3.43Å; Y10-L314 HydrophobicContact CE2-CD1 4.15Å; Y10-K350 HydrophobicContact CD1-CD 4.08Å; Y10-K350 HydrophobicContact CD2-CB 3.83Å; Y10-K350 HydrophobicContact CE2-CB 4.39Å; Y10-K350 WeakPolarHBondContact CE2-O 3.41Å; Y10-K350 HydrophobicContact CG-CB 4.04Å; Y10-K350 HydrophobicContact CG-CD 4.01Å; Y10-K350 HydrophobicContact CG-CG 4.26Å; Y10-E353 HydrophobicContact CE1-CB 4.37Å; Y10-W354 HydrophobicContact CE2-CB 4.22Å; Y10-W354 HydrophobicContact CE2-CE3 4.46Å; Y10-W354 VanDerWaalsContact OH-CA 3.3Å; Y10-W354 WeakPolarHBondContact OH-CA 3.45Å; Y10-W354 WeakPolarHBondContact OH-CB 3.37Å; Y10-W354 PolarHBondContact OH-N 2.76Å; Y10-W354 VanDerWaalsContact OH-N 3.16Å
11A98.6Very high98.1Very high61 Ų6171.5 Ų71.550%0.50439%0.39SS..PPolyproline II helixtrans-60.2142.1166.700000110.4L17 Y346A11-L17 HydrophobicContact CB-CD1 3.96Å; A11-Y346 VanDerWaalsContact O-CE1 3.31Å; A11-Y346 WeakPolarHBondContact O-CE1 3.22Å; A11-Y346 PolarHBondContact O-OH 2.93Å
12D98.7Very high98.2Very high59 Ų5970.4 Ų70.432%0.31639%0.385SS..PPolyproline II helixtrans-69.6166.2176.1-154.84000111.1N14 W310 K343 R347D12-N14 PolarHBondContact O-N 3.07Å; D12-W310 HydrophobicContact CB-CZ2 4.43Å; D12-K343 WeakPolarHBondContact OD2-CE 3.37Å; D12-K343 IonicContact OD2-NZ 3.08Å; D12-R347 IonicContact OD1-CZ 3.56Å; D12-R347 IonicContact OD1-NE 3.6Å; D12-R347 PolarHBondContact OD1-NE 3.28Å; D12-R347 VanDerWaalsContact OD1-NE 3.08Å; D12-R347 IonicContact OD1-NH2 2.69Å; D12-R347 IonicContact OD2-CZ 3.38Å; D12-R347 IonicContact OD2-NE 3.99Å; D12-R347 IonicContact OD2-NH2 2.77Å; D12-R347 PolarHBondContact OD2-NH2 3.14Å
13Y98.6Very high98.3Very high64 Ų6470.1 Ų70.125%0.25137%0.374SS..PPolyproline II helixtrans-52.6133.7-171.9172-101.5000113.6A18 F22 M342 K343 Y346Y13-A18 HydrophobicContact CD2-CB 3.98Å; Y13-A18 HydrophobicContact CE2-CB 3.53Å; Y13-F22 HydrophobicContact CE2-CZ 4.49Å; Y13-M342 HydrophobicContact CE2-CB 4.13Å; Y13-K343 HydrophobicContact CD1-CB 3.95Å; Y13-K343 HydrophobicContact CD1-CG 4.48Å; Y13-K343 HydrophobicContact CG-CB 4.01Å; Y13-K343 HydrophobicContact CG-CG 4.34Å; Y13-Y346 HydrophobicContact CD2-CD1 4.32Å; Y13-Y346 HydrophobicContact CD2-CD2 4.13Å; Y13-Y346 AromaticContact CD2-CG 3.77Å; Y13-Y346 HydrophobicContact CD2-CG 3.77Å; Y13-Y346 HydrophobicContact CG-CG 4.42Å
14N97.6Very high98.2Very high72 Ų7267.1 Ų67.139%0.38538%0.378SS..  trans-142.7162.5151.666.463.1000108.5D12 S16 L17 A18D12-N14 PolarHBondContact O-N 3.07Å; N14-S16 VanDerWaalsContact C-N 3.32Å; N14-S16 PolarHBondContact O-N 3.23Å; N14-S16 PolarHBondContact OD1-N 2.93Å; N14-L17 WeakPolarHBondContact ND2-CD1 3.35Å; N14-L17 WeakPolarHBondContact ND2-CG 3.41Å; N14-L17 PolarHBondContact O-N 3.31Å; N14-L17 WeakPolarHBondContact OD1-CG 3.4Å; N14-L17 PolarHBondContact OD1-N 3.47Å; N14-A18 PolarHBondContact O-N 2.98Å; N14-A18 VanDerWaalsContact O-N 3.17Å
15K96.8Very high98.2Very high159 Ų15963.8 Ų63.869%0.69138%0.377SS*.Hα-helixtrans-57.3-43.1-174.7-69.7-177.2178.2-177.70112.7A18 E19K15-A18 PolarHBondContact O-N 2.87Å; K15-E19 PolarHBondContact O-N 3.23Å
16S97.5Very high98.2Very high86 Ų8663.7 Ų63.760%0.60138%0.377SS*.Hα-helixtrans-64.6-42.8-178.1177.10000112.6N14 A18 E19N14-S16 VanDerWaalsContact C-N 3.32Å; N14-S16 PolarHBondContact O-N 3.23Å; N14-S16 PolarHBondContact OD1-N 2.93Å; S16-A18 VanDerWaalsContact C-N 3.26Å; S16-A18 PolarHBondContact O-N 3.34Å; S16-E19 PolarHBondContact O-N 3.21Å
17L97.9Very high98.2Very high70 Ų7069.5 Ų69.537%0.36640%0.398SS..Hα-helixtrans-68.3-26.3176.4-68.7179.3000112.9A11 N14 Y21 Y346A11-L17 HydrophobicContact CB-CD1 3.96Å; N14-L17 WeakPolarHBondContact ND2-CD1 3.35Å; N14-L17 WeakPolarHBondContact ND2-CG 3.41Å; N14-L17 PolarHBondContact O-N 3.31Å; N14-L17 WeakPolarHBondContact OD1-CG 3.4Å; N14-L17 PolarHBondContact OD1-N 3.47Å; L17-Y21 WeakPolarHBondContact O-CD2 3.31Å; L17-Y346 HydrophobicContact CB-CE2 3.97Å
18A98.3Very high98.2Very high4 Ų464.8 Ų64.83%0.03337%0.366CS..Hα-helixtrans-78-24.7-17800000113.5Y13 N14 K15 S16 G20 Y21 F22 Y346Y13-A18 HydrophobicContact CD2-CB 3.98Å; Y13-A18 HydrophobicContact CE2-CB 3.53Å; N14-A18 PolarHBondContact O-N 2.98Å; N14-A18 VanDerWaalsContact O-N 3.17Å; K15-A18 PolarHBondContact O-N 2.87Å; S16-A18 VanDerWaalsContact C-N 3.26Å; S16-A18 PolarHBondContact O-N 3.34Å; A18-G20 PolarHBondContact O-N 3.13Å; A18-G20 VanDerWaalsContact O-N 3.17Å; A18-Y21 PolarHBondContact O-N 3.43Å; A18-F22 HydrophobicContact CB-CE1 4.46Å; A18-F22 HydrophobicContact CB-CE2 3.94Å; A18-F22 HydrophobicContact CB-CZ 3.81Å; A18-F22 PolarHBondContact O-N 3Å; A18-Y346 HydrophobicContact CB-CD2 4.11Å
19E98Very high98.2Very high139 Ų13964.4 Ų64.465%0.6537%0.365SS*.THydrogen-bonded Turntrans-59-28.1-179.2-75170.4-169.900113.3K15 S16 Y21 T29K15-E19 PolarHBondContact O-N 3.23Å; S16-E19 PolarHBondContact O-N 3.21Å; E19-Y21 VanDerWaalsContact C-N 3.25Å; E19-Y21 PolarHBondContact O-N 2.9Å; E19-T29 WeakPolarHBondContact O-CG2 3.39Å
20G97.9Very high98.2Very high44 Ų4465.7 Ų65.745%0.45437%0.374SS..THydrogen-bonded Turntrans-70.4-19.5173.500000114.1A18 T29A18-G20 PolarHBondContact O-N 3.13Å; A18-G20 VanDerWaalsContact O-N 3.17Å; G20-T29 PolarHBondContact O-OG1 3.24Å
21Y98.8Very high98.2Very high27 Ų2770.6 Ų70.611%0.10640%0.398CS..THydrogen-bonded Turntrans-105.4-43.1-173.9-67.5-78.2000113L17 A18 E19 L28 T29 F32 Y346 C349 K350 E353L17-Y21 WeakPolarHBondContact O-CD2 3.31Å; A18-Y21 PolarHBondContact O-N 3.43Å; E19-Y21 VanDerWaalsContact C-N 3.25Å; E19-Y21 PolarHBondContact O-N 2.9Å; Y21-L28 CarbonylContact O-C 3.49Å; Y21-L28 VanDerWaalsContact O-CA 3.23Å; Y21-L28 WeakPolarHBondContact O-CA 3.47Å; Y21-T29 PolarHBondContact O-N 3.02Å; Y21-F32 AromaticContact CD1-CD1 3.87Å; Y21-F32 HydrophobicContact CD1-CD1 3.87Å; Y21-F32 AromaticContact CD1-CD2 3.76Å; Y21-F32 HydrophobicContact CD1-CD2 3.76Å; Y21-F32 AromaticContact CD1-CE1 3.84Å; Y21-F32 HydrophobicContact CD1-CE1 3.84Å; Y21-F32 AromaticContact CD1-CE2 3.73Å; Y21-F32 HydrophobicContact CD1-CE2 3.73Å; Y21-F32 AromaticContact CD1-CG 3.84Å; Y21-F32 HydrophobicContact CD1-CG 3.84Å; Y21-F32 AromaticContact CD1-CZ 3.77Å; Y21-F32 HydrophobicContact CD1-CZ 3.77Å; Y21-F32 AromaticContact CE1-CD2 3.84Å; Y21-F32 HydrophobicContact CE1-CD2 3.84Å; Y21-F32 HydrophobicContact CE1-CE1 4.47Å; Y21-F32 AromaticContact CE1-CE2 3.6Å; Y21-F32 HydrophobicContact CE1-CE2 3.6Å; Y21-F32 HydrophobicContact CE1-CG 4.39Å; Y21-F32 AromaticContact CE1-CZ 3.95Å; Y21-F32 HydrophobicContact CE1-CZ 3.95Å; Y21-Y346 HydrophobicContact CD2-CD2 4.35Å; Y21-Y346 HydrophobicContact CD2-CE2 4.29Å; Y21-Y346 HydrophobicContact CE2-CE2 4.33Å; Y21-C349 HydrophobicContact CD1-CB 3.66Å; Y21-C349 HydrophobicContact CE1-CB 4.28Å; Y21-C349 HydrophobicContact CG-CB 4.02Å; Y21-K350 HydrophobicContact CE2-CD 4.33Å; Y21-K350 VanDerWaalsContact CE2-NZ 3.35Å; Y21-K350 PolarHBondContact OH-NZ 3.49Å; Y21-E353 HydrophobicContact CE1-CG 3.88Å; Y21-E353 VanDerWaalsContact CE1-OE1 3.31Å; Y21-E353 WeakPolarHBondContact CE1-OE1 3.2Å; Y21-E353 PolarHBondContact OH-OE1 3.25Å
22F98.8Very high98.2Very high8 Ų867.9 Ų67.94%0.03538%0.375CS..BIsolated β-bridgetrans-156.2158.8-177.550.2-97.9000113.1Y13 A18 R27 L28 M342 L345Y13-F22 HydrophobicContact CE2-CZ 4.49Å; A18-F22 HydrophobicContact CB-CE1 4.46Å; A18-F22 HydrophobicContact CB-CE2 3.94Å; A18-F22 HydrophobicContact CB-CZ 3.81Å; A18-F22 PolarHBondContact O-N 3Å; F22-R27 CarbonylContact C-O 3.41Å; F22-R27 WeakPolarHBondContact CA-O 3.38Å; F22-R27 WeakPolarHBondContact CB-O 3.46Å; F22-L28 HydrophobicContact CB-CD2 4.13Å; F22-L28 HydrophobicContact CD1-CD2 4.44Å; F22-M342 HydrophobicContact CD2-SD 4.39Å; F22-M342 HydrophobicContact CE2-CB 3.96Å; F22-M342 HydrophobicContact CE2-CG 4.31Å; F22-M342 HydrophobicContact CE2-SD 4.02Å; F22-M342 HydrophobicContact CZ-CB 4.3Å; F22-M342 WeakPolarHBondContact CZ-O 3.37Å; F22-L345 HydrophobicContact CB-CD2 4.32Å; F22-L345 HydrophobicContact CD1-CD2 3.71Å; F22-L345 HydrophobicContact CD1-CG 3.76Å; F22-L345 HydrophobicContact CD2-CD2 4.04Å; F22-L345 HydrophobicContact CE1-CB 4.11Å; F22-L345 HydrophobicContact CE1-CD2 3.96Å; F22-L345 HydrophobicContact CE1-CG 3.66Å; F22-L345 HydrophobicContact CE2-CD2 4.26Å; F22-L345 HydrophobicContact CG-CD2 3.76Å; F22-L345 HydrophobicContact CG-CG 4.32Å; F22-L345 HydrophobicContact CZ-CB 4.19Å; F22-L345 HydrophobicContact CZ-CD2 4.21Å; F22-L345 HydrophobicContact CZ-CG 4.13Å
23D98.4Very high98.2Very high58 Ų5866.4 Ų66.431%0.3137%0.369SS..  trans-79.1175.4174.372.712.9000112.7A25 G26 R27D23-A25 PolarHBondContact O-N 3.43Å; D23-A25 VanDerWaalsContact OD1-CA 3.31Å; D23-A25 WeakPolarHBondContact OD1-CA 3.34Å; D23-A25 WeakPolarHBondContact OD1-CB 3.47Å; D23-A25 PolarHBondContact OD1-N 2.98Å; D23-G26 PolarHBondContact O-N 3.24Å; D23-G26 PolarHBondContact OD1-N 2.87Å; D23-G26 VanDerWaalsContact OD1-N 3.17Å; D23-R27 PolarHBondContact N-O 2.85Å; D23-R27 PolarHBondContact OD1-N 2.65Å; D23-R27 IonicContact OD1-NE 3.13Å; D23-R27 IonicContact OD2-CZ 2.95Å; D23-R27 VanDerWaalsContact OD2-CZ 3.29Å; D23-R27 IonicContact OD2-NE 2.91Å; D23-R27 PolarHBondContact OD2-NE 3.37Å; D23-R27 IonicContact OD2-NH2 2.76Å; D23-R27 PolarHBondContact OD2-NH2 3.11Å
24A97.1Very high98.2Very high102 Ų10268 Ų6884%0.84338%0.379SS*.THydrogen-bonded Turntrans-61.5-15.3178.900000114.5
25A97.5Very high98.3Very high58 Ų5869.5 Ų69.548%0.47938%0.379SS..THydrogen-bonded Turntrans-92.74.7174.500000112.6D23 R27D23-A25 PolarHBondContact O-N 3.43Å; D23-A25 VanDerWaalsContact OD1-CA 3.31Å; D23-A25 WeakPolarHBondContact OD1-CA 3.34Å; D23-A25 WeakPolarHBondContact OD1-CB 3.47Å; D23-A25 PolarHBondContact OD1-N 2.98Å; A25-R27 VanDerWaalsContact C-N 3.27Å; A25-R27 PolarHBondContact O-N 3.26Å
26G98.1Very high98.4Very high3 Ų362 Ų623%0.03135%0.346CS..SBendtrans72.417.8-178.700000113.7D23D23-G26 PolarHBondContact O-N 3.24Å; D23-G26 PolarHBondContact OD1-N 2.87Å; D23-G26 VanDerWaalsContact OD1-N 3.17Å
27R98.5Very high98.4Very high163 Ų16358.7 Ų58.762%0.61532%0.323SS*.PPolyproline II helixtrans-84.3130.1171.5-66.2-177.8-63.8-125.2-3.9109.3F22 D23 A25F22-R27 CarbonylContact C-O 3.41Å; F22-R27 WeakPolarHBondContact CA-O 3.38Å; F22-R27 WeakPolarHBondContact CB-O 3.46Å; D23-R27 PolarHBondContact N-O 2.85Å; D23-R27 PolarHBondContact OD1-N 2.65Å; D23-R27 IonicContact OD1-NE 3.13Å; D23-R27 IonicContact OD2-CZ 2.95Å; D23-R27 VanDerWaalsContact OD2-CZ 3.29Å; D23-R27 IonicContact OD2-NE 2.91Å; D23-R27 PolarHBondContact OD2-NE 3.37Å; D23-R27 IonicContact OD2-NH2 2.76Å; D23-R27 PolarHBondContact OD2-NH2 3.11Å; A25-R27 VanDerWaalsContact C-N 3.27Å; A25-R27 PolarHBondContact O-N 3.26Å
28L98.8Very high98.5Very high20 Ų2059.2 Ų59.211%0.10533%0.326CS..BIsolated β-bridgetrans-60.8145.6179.7-60-168.8000111.8Y21 F22 F32 S33 L36 L386 P389Y21-L28 CarbonylContact O-C 3.49Å; Y21-L28 VanDerWaalsContact O-CA 3.23Å; Y21-L28 WeakPolarHBondContact O-CA 3.47Å; F22-L28 HydrophobicContact CB-CD2 4.13Å; F22-L28 HydrophobicContact CD1-CD2 4.44Å; L28-F32 HydrophobicContact CD1-CD1 4.05Å; L28-F32 HydrophobicContact CD1-CE1 4.35Å; L28-F32 HydrophobicContact CD2-CD1 4.28Å; L28-S33 WeakPolarHBondContact CB-OG 3.39Å; L28-L36 HydrophobicContact CD1-CD1 3.78Å; L28-L386 HydrophobicContact CD1-CG 4.32Å; L28-L386 VanDerWaalsContact CD1-O 3.28Å; L28-L386 WeakPolarHBondContact CD1-O 2.84Å; L28-P389 HydrophobicContact CD2-CG 4.21Å; L28-P389 HydrophobicContact CG-CG 4.3Å
29T98.8Very high98.5Very high28 Ų2860 Ų6017%0.17233%0.329CS..PPolyproline II helixtrans-65.3145.1173.161.70000109.9E19 G20 Y21 E31 F32 S33E19-T29 WeakPolarHBondContact O-CG2 3.39Å; G20-T29 PolarHBondContact O-OG1 3.24Å; Y21-T29 PolarHBondContact O-N 3.02Å; T29-E31 PolarHBondContact O-N 3.01Å; T29-F32 PolarHBondContact O-N 2.81Å; T29-F32 VanDerWaalsContact O-N 3.16Å; T29-F32 VanDerWaalsContact OG1-CB 3.32Å; T29-F32 WeakPolarHBondContact OG1-CB 3.31Å; T29-F32 PolarHBondContact OG1-N 3.25Å; T29-S33 PolarHBondContact O-N 3.21Å; T29-S33 PolarHBondContact O-OG 3.43Å
30P98.8Very high98.6Very high114 Ų11453.4 Ų53.474%0.7430%0.298SS*.Hα-helixtrans-55.5-35175.6-27.235.3000113Q34P30-Q34 VanDerWaalsContact O-CB 3.29Å; P30-Q34 WeakPolarHBondContact O-CB 3.38Å; P30-Q34 PolarHBondContact O-N 3.1Å
31E98.8Very high98.6Very high143 Ų14357.6 Ų57.667%0.66830%0.3SS*.Hα-helixtrans-62.4-50.7176.7-174-173.6168.300111.8T29 Q34 R35T29-E31 PolarHBondContact O-N 3.01Å; E31-Q34 WeakPolarHBondContact O-CB 3.39Å; E31-Q34 PolarHBondContact O-N 2.89Å; E31-R35 PolarHBondContact O-N 2.85Å; E31-R35 VanDerWaalsContact O-N 3.11Å
32F98.8Very high98.6Very high4 Ų460.2 Ų60.22%0.01831%0.313CS..Hα-helixtrans-67.4-43179.7-172.6-122.3000111.3Y21 L28 T29 Q34 R35 L36 C349 A352 E353 L356 L386Y21-F32 AromaticContact CD1-CD1 3.87Å; Y21-F32 HydrophobicContact CD1-CD1 3.87Å; Y21-F32 AromaticContact CD1-CD2 3.76Å; Y21-F32 HydrophobicContact CD1-CD2 3.76Å; Y21-F32 AromaticContact CD1-CE1 3.84Å; Y21-F32 HydrophobicContact CD1-CE1 3.84Å; Y21-F32 AromaticContact CD1-CE2 3.73Å; Y21-F32 HydrophobicContact CD1-CE2 3.73Å; Y21-F32 AromaticContact CD1-CG 3.84Å; Y21-F32 HydrophobicContact CD1-CG 3.84Å; Y21-F32 AromaticContact CD1-CZ 3.77Å; Y21-F32 HydrophobicContact CD1-CZ 3.77Å; Y21-F32 AromaticContact CE1-CD2 3.84Å; Y21-F32 HydrophobicContact CE1-CD2 3.84Å; Y21-F32 HydrophobicContact CE1-CE1 4.47Å; Y21-F32 AromaticContact CE1-CE2 3.6Å; Y21-F32 HydrophobicContact CE1-CE2 3.6Å; Y21-F32 HydrophobicContact CE1-CG 4.39Å; Y21-F32 AromaticContact CE1-CZ 3.95Å; Y21-F32 HydrophobicContact CE1-CZ 3.95Å; L28-F32 HydrophobicContact CD1-CD1 4.05Å; L28-F32 HydrophobicContact CD1-CE1 4.35Å; L28-F32 HydrophobicContact CD2-CD1 4.28Å; T29-F32 PolarHBondContact O-N 2.81Å; T29-F32 VanDerWaalsContact O-N 3.16Å; T29-F32 VanDerWaalsContact OG1-CB 3.32Å; T29-F32 WeakPolarHBondContact OG1-CB 3.31Å; T29-F32 PolarHBondContact OG1-N 3.25Å; F32-Q34 PolarHBondContact O-N 3.25Å; F32-R35 WeakPolarHBondContact O-CB 3.41Å; F32-R35 PolarHBondContact O-N 2.82Å; F32-R35 VanDerWaalsContact O-N 3.11Å; F32-L36 HydrophobicContact CD1-CD1 4.06Å; F32-L36 HydrophobicContact CD1-CG 4.43Å; F32-L36 HydrophobicContact CE1-CD1 3.8Å; F32-L36 HydrophobicContact CE1-CD2 4.28Å; F32-L36 HydrophobicContact CE1-CG 4.18Å; F32-L36 HydrophobicContact CE2-CD2 4.31Å; F32-L36 HydrophobicContact CE2-CG 4.49Å; F32-L36 HydrophobicContact CZ-CD1 4.28Å; F32-L36 HydrophobicContact CZ-CD2 3.92Å; F32-L36 HydrophobicContact CZ-CG 4.2Å; F32-L36 WeakPolarHBondContact O-CG 3.42Å; F32-L36 PolarHBondContact O-N 3.39Å; F32-C349 HydrophobicContact CE1-CB 3.91Å; F32-C349 HydrophobicContact CZ-CB 4.06Å; F32-A352 HydrophobicContact CZ-CB 4.18Å; F32-E353 HydrophobicContact CE2-CG 4.33Å; F32-L356 HydrophobicContact CE2-CD1 4.42Å; F32-L386 HydrophobicContact CE1-CD2 4.24Å
33S98.8Very high98.6Very high28 Ų2859.9 Ų59.920%0.19631%0.312CS..Hα-helixtrans-56.9-37.2173.4-64.70000112.7L28 T29 T37L28-S33 WeakPolarHBondContact CB-OG 3.39Å; T29-S33 PolarHBondContact O-N 3.21Å; T29-S33 PolarHBondContact O-OG 3.43Å; S33-T37 WeakPolarHBondContact O-CB 3.46Å; S33-T37 PolarHBondContact O-N 3.36Å; S33-T37 PolarHBondContact O-OG1 3.03Å
34Q98.8Very high98.6Very high98 Ų9857.6 Ų57.646%0.45830%0.3SS..Hα-helixtrans-67-42.2176.3-17363.253.900111.6P30 E31 F32 T37 N38P30-Q34 VanDerWaalsContact O-CB 3.29Å; P30-Q34 WeakPolarHBondContact O-CB 3.38Å; P30-Q34 PolarHBondContact O-N 3.1Å; E31-Q34 WeakPolarHBondContact O-CB 3.39Å; E31-Q34 PolarHBondContact O-N 2.89Å; F32-Q34 PolarHBondContact O-N 3.25Å; Q34-T37 PolarHBondContact O-N 3.49Å; Q34-N38 PolarHBondContact NE2-OD1 3.41Å; Q34-N38 WeakPolarHBondContact O-CB 3.34Å; Q34-N38 PolarHBondContact O-N 3.3Å; Q34-N38 PolarHBondContact O-ND2 2.93Å; Q34-N38 PolarHBondContact O-OD1 3.14Å
35R98.9Very high98.7Very high104 Ų10458.2 Ų58.239%0.39229%0.285SS..Hα-helixtrans-61.3-46175.4-70.2179.862.2-151.6-8.5111.7E31 F32 N38 K39 E353 L356E31-R35 PolarHBondContact O-N 2.85Å; E31-R35 VanDerWaalsContact O-N 3.11Å; F32-R35 WeakPolarHBondContact O-CB 3.41Å; F32-R35 PolarHBondContact O-N 2.82Å; F32-R35 VanDerWaalsContact O-N 3.11Å; R35-N38 PolarHBondContact O-N 2.93Å; R35-K39 PolarHBondContact O-N 3.18Å; R35-E353 IonicContact CZ-OE1 2.66Å; R35-E353 IonicContact CZ-OE2 3.43Å; R35-E353 IonicContact NH1-OE1 2.62Å; R35-E353 PolarHBondContact NH1-OE1 3.4Å; R35-E353 IonicContact NH1-OE2 3.1Å; R35-E353 PolarHBondContact NH1-OE2 2.84Å; R35-E353 IonicContact NH2-OE1 3.14Å; R35-E353 IonicContact NH2-OE2 3.81Å; R35-E353 PolarHBondContact NH2-OE2 2.96Å; R35-L356 HydrophobicContact CB-CD1 4.34Å; R35-L356 VanDerWaalsContact NH2-CD1 3.33Å
36L98.9Very high98.7Very high0 Ų059.2 Ų59.20%028%0.28CS..Hα-helixtrans-57.8-51.2174.8-65178000110.9L28 F32 N38 K39 I40 A352 L356 L383 L386 L387L28-L36 HydrophobicContact CD1-CD1 3.78Å; F32-L36 HydrophobicContact CD1-CD1 4.06Å; F32-L36 HydrophobicContact CD1-CG 4.43Å; F32-L36 HydrophobicContact CE1-CD1 3.8Å; F32-L36 HydrophobicContact CE1-CD2 4.28Å; F32-L36 HydrophobicContact CE1-CG 4.18Å; F32-L36 HydrophobicContact CE2-CD2 4.31Å; F32-L36 HydrophobicContact CE2-CG 4.49Å; F32-L36 HydrophobicContact CZ-CD1 4.28Å; F32-L36 HydrophobicContact CZ-CD2 3.92Å; F32-L36 HydrophobicContact CZ-CG 4.2Å; F32-L36 WeakPolarHBondContact O-CG 3.42Å; F32-L36 PolarHBondContact O-N 3.39Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 3.18Å; L36-K39 PolarHBondContact O-N 3.4Å; L36-I40 WeakPolarHBondContact O-CD1 3.46Å; L36-I40 VanDerWaalsContact O-CG1 3.24Å; L36-I40 WeakPolarHBondContact O-CG1 3.29Å; L36-I40 PolarHBondContact O-N 3.21Å; L36-A352 HydrophobicContact CD2-CB 4.02Å; L36-L356 HydrophobicContact CD2-CD2 4.24Å; L36-L383 HydrophobicContact CD2-CD2 3.89Å; L36-L386 HydrophobicContact CD1-CD2 4.04Å; L36-L386 HydrophobicContact CD1-CG 4.24Å; L36-L386 HydrophobicContact CD2-CD2 4.39Å; L36-L387 HydrophobicContact CB-CD2 4.14Å; L36-L387 HydrophobicContact CD1-CD2 4.04Å
37T98.8Very high98.8Very high18 Ų1859 Ų5911%0.1128%0.278CS..Hα-helixtrans-61.7-39.5-178.8-57.40000112.4S33 Q34 I40 R41 F79S33-T37 WeakPolarHBondContact O-CB 3.46Å; S33-T37 PolarHBondContact O-N 3.36Å; S33-T37 PolarHBondContact O-OG1 3.03Å; Q34-T37 PolarHBondContact O-N 3.49Å; T37-I40 PolarHBondContact O-N 2.8Å; T37-R41 WeakPolarHBondContact O-CG 3.45Å; T37-R41 PolarHBondContact O-N 3.22Å; T37-R41 VanDerWaalsContact O-N 3.11Å; T37-F79 HydrophobicContact CG2-CE1 3.97Å; T37-F79 HydrophobicContact CG2-CZ 4.41Å
38N98.8Very high98.8Very high81 Ų8153.4 Ų53.443%0.43326%0.259SS..Hα-helixtrans-62-47.2175.7-72.5-12.4000111.1Q34 R35 L36 R41 E42Q34-N38 PolarHBondContact NE2-OD1 3.41Å; Q34-N38 WeakPolarHBondContact O-CB 3.34Å; Q34-N38 PolarHBondContact O-N 3.3Å; Q34-N38 PolarHBondContact O-ND2 2.93Å; Q34-N38 PolarHBondContact O-OD1 3.14Å; R35-N38 PolarHBondContact O-N 2.93Å; L36-N38 VanDerWaalsContact C-N 3.33Å; L36-N38 PolarHBondContact O-N 3.18Å; N38-R41 PolarHBondContact O-N 3.23Å; N38-E42 PolarHBondContact O-N 3.43Å
39K98.9Very high98.7Very high20 Ų2060.5 Ų60.59%0.08728%0.284CS..Hα-helixtrans-67-37.9179.3-165.673.3-173.41770112.5R35 L36 R41 E42 L43 L356 L383R35-K39 PolarHBondContact O-N 3.18Å; L36-K39 PolarHBondContact O-N 3.4Å; K39-R41 VanDerWaalsContact C-N 3.33Å; K39-R41 PolarHBondContact O-N 3.25Å; K39-E42 WeakPolarHBondContact CD-OE2 3.45Å; K39-E42 IonicContact NZ-OE1 3.09Å; K39-E42 PolarHBondContact NZ-OE1 3.42Å; K39-E42 IonicContact NZ-OE2 2.96Å; K39-E42 PolarHBondContact NZ-OE2 3.03Å; K39-E42 VanDerWaalsContact NZ-OE2 3.15Å; K39-E42 PolarHBondContact O-N 3.42Å; K39-L43 HydrophobicContact CG-CD1 3.99Å; K39-L43 HydrophobicContact CG-CG 4.18Å; K39-L43 WeakPolarHBondContact O-CB 3.35Å; K39-L43 WeakPolarHBondContact O-CG 3.41Å; K39-L43 PolarHBondContact O-N 3.43Å; K39-L356 HydrophobicContact CB-CD2 3.4Å; K39-L356 HydrophobicContact CD-CD2 4.44Å; K39-L356 WeakPolarHBondContact CD-O 3.45Å; K39-L356 WeakPolarHBondContact CE-O 3.49Å; K39-L356 HydrophobicContact CG-CD2 3.68Å; K39-L356 PolarHBondContact NZ-O 2.94Å; K39-L383 HydrophobicContact CG-CD1 4.3Å
40I98.9Very high98.6Very high1 Ų159.7 Ų59.71%0.00528%0.281CS..Hα-helixtrans-54.8-50.2172.9-72.6162.3000110.1L36 T37 L43 L44 L75 F79 I380 L383 A384 L387L36-I40 WeakPolarHBondContact O-CD1 3.46Å; L36-I40 VanDerWaalsContact O-CG1 3.24Å; L36-I40 WeakPolarHBondContact O-CG1 3.29Å; L36-I40 PolarHBondContact O-N 3.21Å; T37-I40 PolarHBondContact O-N 2.8Å; I40-L43 PolarHBondContact O-N 3.24Å; I40-L44 HydrophobicContact CG2-CD1 3.83Å; I40-L44 HydrophobicContact CG2-CG 4.47Å; I40-L44 WeakPolarHBondContact O-CB 3.48Å; I40-L44 VanDerWaalsContact O-CG 3.24Å; I40-L44 WeakPolarHBondContact O-CG 3.2Å; I40-L44 PolarHBondContact O-N 3.35Å; I40-L75 HydrophobicContact CG2-CD2 4.24Å; I40-F79 HydrophobicContact CD1-CZ 4.05Å; I40-F79 HydrophobicContact CG2-CE2 4.25Å; I40-F79 HydrophobicContact CG2-CZ 4.38Å; I40-I380 HydrophobicContact CG2-CG2 4.08Å; I40-L383 HydrophobicContact CD1-CB 3.98Å; I40-L383 HydrophobicContact CG1-CB 3.71Å; I40-L383 HydrophobicContact CG1-CD1 4.47Å; I40-A384 HydrophobicContact CD1-CB 4Å; I40-L387 HydrophobicContact CD1-CD1 4.26Å
41R98.8Very high98.5Very high131 Ų13154.6 Ų54.649%0.49425%0.248SC..Hα-helixtrans-64.5-41.3179.2-70.2176.8-176.5154.30.8112.6T37 N38 K39 Q45T37-R41 WeakPolarHBondContact O-CG 3.45Å; T37-R41 PolarHBondContact O-N 3.22Å; T37-R41 VanDerWaalsContact O-N 3.11Å; N38-R41 PolarHBondContact O-N 3.23Å; K39-R41 VanDerWaalsContact C-N 3.33Å; K39-R41 PolarHBondContact O-N 3.25Å; R41-Q45 WeakPolarHBondContact O-CG 3.38Å; R41-Q45 PolarHBondContact O-N 3.34Å
42E98.8Very high98.4Very high83 Ų8356.1 Ų56.139%0.38825%0.252SS..Hα-helixtrans-60.4-51.9176.7-174.7-157.8134.400111.3N38 K39 L44 Q45 Q46N38-E42 PolarHBondContact O-N 3.43Å; K39-E42 WeakPolarHBondContact CD-OE2 3.45Å; K39-E42 IonicContact NZ-OE1 3.09Å; K39-E42 PolarHBondContact NZ-OE1 3.42Å; K39-E42 IonicContact NZ-OE2 2.96Å; K39-E42 PolarHBondContact NZ-OE2 3.03Å; K39-E42 VanDerWaalsContact NZ-OE2 3.15Å; K39-E42 PolarHBondContact O-N 3.42Å; E42-L44 PolarHBondContact O-N 2.9Å; E42-Q45 PolarHBondContact O-N 2.83Å; E42-Q46 PolarHBondContact O-N 3.36Å; E42-Q46 PolarHBondContact OE1-NE2 3.19Å
43L98.9Very high98.2Very high0 Ų060.8 Ų60.80%029%0.285CS..Hα-helixtrans-66.7-36.7-179.7-67.8178.8000111.7K39 I40 Q45 Q46 M47 Y358 M376 I380 L383K39-L43 HydrophobicContact CG-CD1 3.99Å; K39-L43 HydrophobicContact CG-CG 4.18Å; K39-L43 WeakPolarHBondContact O-CB 3.35Å; K39-L43 WeakPolarHBondContact O-CG 3.41Å; K39-L43 PolarHBondContact O-N 3.43Å; I40-L43 PolarHBondContact O-N 3.24Å; L43-Q45 VanDerWaalsContact C-N 3.28Å; L43-Q45 PolarHBondContact O-N 3.37Å; L43-Q46 PolarHBondContact O-N 3.25Å; L43-Q46 VanDerWaalsContact O-N 3.09Å; L43-M47 WeakPolarHBondContact O-CB 3.43Å; L43-M47 PolarHBondContact O-N 3.39Å; L43-Y358 HydrophobicContact CD2-CD1 4.24Å; L43-Y358 HydrophobicContact CD2-CG 4.2Å; L43-M376 HydrophobicContact CB-CG 4.18Å; L43-M376 HydrophobicContact CB-SD 4Å; L43-M376 HydrophobicContact CD2-CE 3.99Å; L43-M376 HydrophobicContact CD2-CG 4.39Å; L43-M376 HydrophobicContact CD2-SD 4.01Å; L43-I380 HydrophobicContact CB-CD1 3.79Å; L43-I380 HydrophobicContact CB-CG1 3.68Å; L43-I380 HydrophobicContact CD1-CG1 4.23Å; L43-L383 HydrophobicContact CD1-CD1 4.22Å
44L98.8Very high98.2Very high11 Ų1161.5 Ų61.56%0.05829%0.293CS..Hα-helixtrans-57.7-41.2173.8-82169.8000112.1I40 E42 Q46 M47 E48 L71 Y72 L75 Y84 I380I40-L44 HydrophobicContact CG2-CD1 3.83Å; I40-L44 HydrophobicContact CG2-CG 4.47Å; I40-L44 WeakPolarHBondContact O-CB 3.48Å; I40-L44 VanDerWaalsContact O-CG 3.24Å; I40-L44 WeakPolarHBondContact O-CG 3.2Å; I40-L44 PolarHBondContact O-N 3.35Å; E42-L44 PolarHBondContact O-N 2.9Å; L44-Q46 VanDerWaalsContact C-N 3.32Å; L44-Q46 PolarHBondContact O-N 3.47Å; L44-M47 HydrophobicContact CD2-CE 3.84Å; L44-M47 PolarHBondContact O-N 3.02Å; L44-E48 WeakPolarHBondContact O-CB 3.48Å; L44-E48 WeakPolarHBondContact O-CG 3.47Å; L44-E48 PolarHBondContact O-N 3.25Å; L44-L71 HydrophobicContact CD2-CD2 4.28Å; L44-Y72 HydrophobicContact CD2-CE1 4.05Å; L44-L75 HydrophobicContact CD1-CD1 3.86Å; L44-L75 HydrophobicContact CD2-CD1 3.78Å; L44-L75 HydrophobicContact CG-CD1 4.39Å; L44-Y84 HydrophobicContact CD1-CE1 4.24Å; L44-I380 HydrophobicContact CD2-CD1 4.03Å; L44-I380 HydrophobicContact CD2-CG2 4.2Å; L44-I380 HydrophobicContact CG-CD1 4.13Å; L44-I380 HydrophobicContact CG-CG2 4.13Å
45Q98.6Very high98.1Very high115 Ų11560.6 Ų60.654%0.53729%0.291SS..Hα-helixtrans-65.2-35.8176.1-68.8178.826.400112.8R41 E42 L43 R49R41-Q45 WeakPolarHBondContact O-CG 3.38Å; R41-Q45 PolarHBondContact O-N 3.34Å; E42-Q45 PolarHBondContact O-N 2.83Å; L43-Q45 VanDerWaalsContact C-N 3.28Å; L43-Q45 PolarHBondContact O-N 3.37Å; Q45-R49 VanDerWaalsContact O-CG 3.31Å; Q45-R49 WeakPolarHBondContact O-CG 3.49Å; Q45-R49 PolarHBondContact O-N 2.9Å; Q45-R49 PolarHBondContact O-NE 3.48Å
46Q98.6Very high98.1Very high78 Ų7860 Ų6036%0.36430%0.3SS..Hα-helixtrans-70.3-45.6176.4-63.8-179.837.300110.6E42 L43 L44 R49 G50 M376E42-Q46 PolarHBondContact O-N 3.36Å; E42-Q46 PolarHBondContact OE1-NE2 3.19Å; L43-Q46 PolarHBondContact O-N 3.25Å; L43-Q46 VanDerWaalsContact O-N 3.09Å; L44-Q46 VanDerWaalsContact C-N 3.32Å; L44-Q46 PolarHBondContact O-N 3.47Å; Q46-R49 PolarHBondContact O-N 3.35Å; Q46-G50 PolarHBondContact O-N 3Å; Q46-M376 HydrophobicContact CB-CE 4.07Å; Q46-M376 HydrophobicContact CB-SD 3.86Å
47M98.8Very high98Very high0 Ų069.2 Ų69.20%034%0.335CS..Hα-helixtrans-56.9-52.3176-172-16578.300111.1L43 L44 R49 G50 V51 I68 L71 Y72 F370 M376 A377 I380L43-M47 WeakPolarHBondContact O-CB 3.43Å; L43-M47 PolarHBondContact O-N 3.39Å; L44-M47 HydrophobicContact CD2-CE 3.84Å; L44-M47 PolarHBondContact O-N 3.02Å; M47-R49 PolarHBondContact O-N 2.99Å; M47-G50 PolarHBondContact O-N 2.83Å; M47-V51 HydrophobicContact CG-CG1 4.05Å; M47-V51 WeakPolarHBondContact O-CG1 3.36Å; M47-V51 WeakPolarHBondContact O-CG2 3.22Å; M47-V51 PolarHBondContact O-N 3.01Å; M47-I68 HydrophobicContact CE-CG2 4.11Å; M47-I68 HydrophobicContact SD-CD1 4.47Å; M47-L71 HydrophobicContact CE-CD2 3.94Å; M47-L71 HydrophobicContact SD-CD2 3.62Å; M47-Y72 HydrophobicContact CE-CE2 3.72Å; M47-Y72 WeakPolarHBondContact CE-OH 3.01Å; M47-F370 HydrophobicContact CB-CD1 4.49Å; M47-F370 HydrophobicContact CG-CB 4.08Å; M47-F370 HydrophobicContact CG-CD1 4.44Å; M47-M376 HydrophobicContact CB-CG 4.49Å; M47-M376 HydrophobicContact CB-SD 3.96Å; M47-A377 HydrophobicContact SD-CB 3.68Å; M47-I380 HydrophobicContact CB-CD1 4.2Å; M47-I380 HydrophobicContact SD-CD1 3.94Å
48E98.4Very high98Very high44 Ų4470 Ų7021%0.20634%0.339CS..Hα-helixtrans-61.4-28.1179.9-79.6-61.8139.200113.8L44 V51 Y72 Y91L44-E48 WeakPolarHBondContact O-CB 3.48Å; L44-E48 WeakPolarHBondContact O-CG 3.47Å; L44-E48 PolarHBondContact O-N 3.25Å; E48-V51 WeakPolarHBondContact O-CG2 3.47Å; E48-Y72 VanDerWaalsContact CG-OH 3.23Å; E48-Y72 WeakPolarHBondContact CG-OH 3.5Å; E48-Y72 WeakPolarHBondContact OE1-CE2 3.16Å; E48-Y72 VanDerWaalsContact OE1-CZ 3.24Å; E48-Y72 PolarHBondContact OE1-OH 3.14Å; E48-Y91 PolarHBondContact OE1-OH 3.46Å; E48-Y91 PolarHBondContact OE2-OH 3.12Å
49R97.9Very high98Very high170 Ų17066.5 Ų66.564%0.64232%0.321SS*.Hα-helixtrans-73.8-44.4170.7-70.9178.2-133.8-167.91.8111.1Q45 Q46 M47Q45-R49 VanDerWaalsContact O-CG 3.31Å; Q45-R49 WeakPolarHBondContact O-CG 3.49Å; Q45-R49 PolarHBondContact O-N 2.9Å; Q45-R49 PolarHBondContact O-NE 3.48Å; Q46-R49 PolarHBondContact O-N 3.35Å; M47-R49 PolarHBondContact O-N 2.99Å
50G96.7Very high98Very high10 Ų1066.9 Ų66.910%0.10333%0.326CS..Hα-helixtrans-69.4-40.2-175.700000114.7Q46 M47 K52 S53 F370Q46-G50 PolarHBondContact O-N 3Å; M47-G50 PolarHBondContact O-N 2.83Å; G50-K52 PolarHBondContact O-N 3.05Å; G50-K52 VanDerWaalsContact O-N 3.14Å; G50-S53 PolarHBondContact O-N 3.16Å; G50-S53 PolarHBondContact O-OG 3.19Å; G50-F370 VanDerWaalsContact CA-CZ 3.48Å
51V96.6Very high98Very high7 Ų766.9 Ų66.94%0.04233%0.326CS..G310 helixtrans-62-21.7179.8-66.40000113.1M47 E48 S53 A54 W65 I68 Y91 F370M47-V51 HydrophobicContact CG-CG1 4.05Å; M47-V51 WeakPolarHBondContact O-CG1 3.36Å; M47-V51 WeakPolarHBondContact O-CG2 3.22Å; M47-V51 PolarHBondContact O-N 3.01Å; E48-V51 WeakPolarHBondContact O-CG2 3.47Å; V51-S53 PolarHBondContact O-N 3.06Å; V51-S53 VanDerWaalsContact O-N 3.13Å; V51-A54 WeakPolarHBondContact O-CB 3.29Å; V51-A54 PolarHBondContact O-N 2.76Å; V51-W65 HydrophobicContact CB-CZ3 4.24Å; V51-W65 WeakPolarHBondContact O-CH2 3.4Å; V51-I68 HydrophobicContact CG1-CD1 4.45Å; V51-Y91 VanDerWaalsContact CG2-OH 3.29Å; V51-Y91 WeakPolarHBondContact CG2-OH 3.37Å; V51-F370 HydrophobicContact CG1-CB 3.71Å; V51-F370 HydrophobicContact CG1-CG 4.38Å
52K95.3Very high98Very high176 Ų17662 Ų6277%0.76531%0.308SS*.G310 helixtrans-60.3-21.9172.6-64.4178.6-177.6-178.10113.5G50G50-K52 PolarHBondContact O-N 3.05Å; G50-K52 VanDerWaalsContact O-N 3.14Å
53S95.9Very high98Very high102 Ų10259.8 Ų59.871%0.71330%0.299SS*.G310 helixtrans-106.34.4177560000114.2G50 V51G50-S53 PolarHBondContact O-N 3.16Å; G50-S53 PolarHBondContact O-OG 3.19Å; V51-S53 PolarHBondContact O-N 3.06Å; V51-S53 VanDerWaalsContact O-N 3.13Å
54A97.6Very high98Very high42 Ų4260 Ų6035%0.34730%0.302SS..SBendtrans-71.8158.9177.500000111.6V51 P56 W65V51-A54 WeakPolarHBondContact O-CB 3.29Å; V51-A54 PolarHBondContact O-N 2.76Å; A54-P56 WeakPolarHBondContact O-CD 3.4Å; A54-P56 VanDerWaalsContact O-N 3.1Å; A54-W65 HydrophobicContact CB-CH2 3.76Å; A54-W65 HydrophobicContact CB-CZ2 4.27Å; A54-W65 HydrophobicContact CB-CZ3 4.4Å
55D97.9Very high98Very high79 Ų7960 Ų6042%0.42230%0.301SS..  trans-58.4115.6-178.4-176.3-11.9000110R57 D58 W65D55-R57 PolarHBondContact O-N 2.91Å; D55-R57 WeakPolarHBondContact OD1-CB 3.21Å; D55-R57 WeakPolarHBondContact OD1-CG 3.34Å; D55-R57 PolarHBondContact OD1-N 3.25Å; D55-R57 IonicContact OD1-NE 3.38Å; D55-D58 HydrophobicContact CB-CB 4.34Å; D55-D58 PolarHBondContact O-N 3.11Å; D55-W65 WeakPolarHBondContact O-CZ2 3.41Å
56P97.4Very high98Very high91 Ų9154.5 Ų54.559%0.59128%0.275SS*.THydrogen-bonded Turntrans-61.9-17.1-179.126.4-35.2000113.3A54 W65A54-P56 WeakPolarHBondContact O-CD 3.4Å; A54-P56 VanDerWaalsContact O-N 3.1Å; P56-W65 PolarHBondContact O-NE1 3.24Å
57R98.1Very high98Very high195 Ų19550.8 Ų50.874%0.73626%0.258SS*.THydrogen-bonded Turntrans-93.4-13.6-176.3-50.1-173.7-51162.610.7113.8D55 G59 C98D55-R57 PolarHBondContact O-N 2.91Å; D55-R57 WeakPolarHBondContact OD1-CB 3.21Å; D55-R57 WeakPolarHBondContact OD1-CG 3.34Å; D55-R57 PolarHBondContact OD1-N 3.25Å; D55-R57 IonicContact OD1-NE 3.38Å; R57-G59 PolarHBondContact O-N 3.15Å; R57-C98 WeakPolarHBondContact O-CB 3.34Å; R57-C98 PolarHBondContact O-SG 3.17Å
58D98.6Very high98Very high35 Ų3551 Ų5119%0.18726%0.259CS..  trans-86.398.9179.9-172.7-3000110.9D55 T60 T63 G64 W65D55-D58 HydrophobicContact CB-CB 4.34Å; D55-D58 PolarHBondContact O-N 3.11Å; D58-T60 VanDerWaalsContact OD1-CB 3.23Å; D58-T60 WeakPolarHBondContact OD1-CB 3.49Å; D58-T60 WeakPolarHBondContact OD1-CG2 3.35Å; D58-T60 PolarHBondContact OD1-N 3.22Å; D58-T60 PolarHBondContact OD1-OG1 2.98Å; D58-T63 WeakPolarHBondContact OD2-CB 3.28Å; D58-T63 PolarHBondContact OD2-OG1 3.06Å; D58-G64 CarbonylContact O-C 3.24Å; D58-G64 WeakPolarHBondContact O-CA 3.31Å; D58-W65 PolarHBondContact O-N 2.85Å; D58-W65 PolarHBondContact O-NE1 2.79Å
59G98.6Very high98.1Very high6 Ų648.9 Ų48.96%0.06225%0.249CC..  trans-948.1174.600000114.8R57 A66 P113R57-G59 PolarHBondContact O-N 3.15Å; G59-A66 WeakPolarHBondContact O-CB 3.22Å; G59-A66 PolarHBondContact O-N 3.48Å; G59-P113 WeakPolarHBondContact O-CG 3.24Å
60T98.9Very high98.1Very high29 Ų2941.1 Ų41.118%0.17822%0.221CC..  trans-67.6160-171.263.30000113.3D58 Y62 T63 G64 A66 G67 L107D58-T60 VanDerWaalsContact OD1-CB 3.23Å; D58-T60 WeakPolarHBondContact OD1-CB 3.49Å; D58-T60 WeakPolarHBondContact OD1-CG2 3.35Å; D58-T60 PolarHBondContact OD1-N 3.22Å; D58-T60 PolarHBondContact OD1-OG1 2.98Å; T60-Y62 VanDerWaalsContact C-N 3.34Å; T60-T63 PolarHBondContact OG1-N 3.17Å; T60-T63 VanDerWaalsContact OG1-N 3.08Å; T60-T63 PolarHBondContact OG1-OG1 3.3Å; T60-T63 VanDerWaalsContact OG1-OG1 3.12Å; T60-G64 CarbonylContact O-C 3.53Å; T60-G64 WeakPolarHBondContact O-CA 3.37Å; T60-G64 PolarHBondContact O-N 3.38Å; T60-G64 VanDerWaalsContact O-N 3.09Å; T60-G64 PolarHBondContact OG1-N 3.04Å; T60-A66 PolarHBondContact O-N 2.99Å; T60-G67 PolarHBondContact O-N 3.1Å; T60-L107 WeakPolarHBondContact CB-O 3.29Å
61G98.8Very high98.2Very high0 Ų040.6 Ų40.60%022%0.216CC..THydrogen-bonded Turntrans-71.7-30.4169.700000112.7G67 L107G61-G67 WeakPolarHBondContact O-CA 3.42Å; G61-L107 CarbonylContact C-O 3.18Å; G61-L107 WeakPolarHBondContact CA-O 3.28Å; G61-L107 PolarHBondContact N-O 2.82Å
62Y98.9Very high98.3Very high30 Ų3040.4 Ų40.412%0.11821%0.214CC..THydrogen-bonded Turntrans-74-55.5-176.4-170.1-100.4000111.3T60 L107 L152 C322 F373 E374T60-Y62 VanDerWaalsContact C-N 3.34Å; Y62-L107 WeakPolarHBondContact CB-O 3.47Å; Y62-L107 HydrophobicContact CD2-CD2 4.43Å; Y62-L107 PolarHBondContact N-O 3.12Å; Y62-L152 HydrophobicContact CD2-CD2 4.32Å; Y62-L152 HydrophobicContact CE2-CD1 4.21Å; Y62-L152 HydrophobicContact CE2-CD2 4.46Å; Y62-C322 HydrophobicContact CE2-CB 4.19Å; Y62-C322 PolarHBondContact OH-SG 3.37Å; Y62-F373 HydrophobicContact CD1-CB 4.41Å; Y62-F373 HydrophobicContact CD2-CB 3.36Å; Y62-F373 AromaticContact CD2-CD1 3.64Å; Y62-F373 HydrophobicContact CD2-CD1 3.64Å; Y62-F373 HydrophobicContact CD2-CD2 4.1Å; Y62-F373 AromaticContact CD2-CG 3.4Å; Y62-F373 HydrophobicContact CD2-CG 3.4Å; Y62-F373 HydrophobicContact CE1-CB 4.34Å; Y62-F373 HydrophobicContact CE2-CB 3.34Å; Y62-F373 AromaticContact CE2-CD1 3.54Å; Y62-F373 HydrophobicContact CE2-CD1 3.54Å; Y62-F373 AromaticContact CE2-CG 3.61Å; Y62-F373 HydrophobicContact CE2-CG 3.61Å; Y62-F373 HydrophobicContact CG-CB 3.9Å; Y62-F373 HydrophobicContact CG-CG 4.24Å; Y62-F373 WeakPolarHBondContact O-CB 3.41Å; Y62-F373 PolarHBondContact O-N 3.48Å; Y62-E374 HydrophobicContact CE1-CG 4.03Å
63T98.8Very high98.5Very high35 Ų3532.4 Ų32.422%0.21518%0.18CC..THydrogen-bonded Turntrans-119.7-9.7-172.645.10000115.5D58 T60 T368 S371 E374D58-T63 WeakPolarHBondContact OD2-CB 3.28Å; D58-T63 PolarHBondContact OD2-OG1 3.06Å; T60-T63 PolarHBondContact OG1-N 3.17Å; T60-T63 VanDerWaalsContact OG1-N 3.08Å; T60-T63 PolarHBondContact OG1-OG1 3.3Å; T60-T63 VanDerWaalsContact OG1-OG1 3.12Å; T63-T368 HydrophobicContact CG2-CG2 4.08Å; T63-T368 WeakPolarHBondContact CG2-OG1 3.38Å; T63-S371 WeakPolarHBondContact O-CB 3.2Å; T63-E374 HydrophobicContact CG2-CG 4.21Å
64G98.8Very high98.6Very high5 Ų528.5 Ų28.55%0.05215%0.15CC..SBendtrans-117.6-161.4-166.800000116.6D58 T60 A66 G67 I68D58-G64 CarbonylContact O-C 3.24Å; D58-G64 WeakPolarHBondContact O-CA 3.31Å; T60-G64 CarbonylContact O-C 3.53Å; T60-G64 WeakPolarHBondContact O-CA 3.37Å; T60-G64 PolarHBondContact O-N 3.38Å; T60-G64 VanDerWaalsContact O-N 3.09Å; T60-G64 PolarHBondContact OG1-N 3.04Å; G64-A66 PolarHBondContact O-N 3.42Å; G64-G67 PolarHBondContact O-N 3.25Å; G64-G67 VanDerWaalsContact O-N 3.09Å; G64-I68 PolarHBondContact O-N 2.86Å
65W98.9Very high98.7Very high10 Ų1026.5 Ų26.54%0.03813%0.134CC..Hα-helixtrans-61-36.9-172.5-53.1121.1000114.5V51 A54 D55 P56 D58 G67 I68 A69 Y91 Q94V51-W65 HydrophobicContact CB-CZ3 4.24Å; V51-W65 WeakPolarHBondContact O-CH2 3.4Å; A54-W65 HydrophobicContact CB-CH2 3.76Å; A54-W65 HydrophobicContact CB-CZ2 4.27Å; A54-W65 HydrophobicContact CB-CZ3 4.4Å; D55-W65 WeakPolarHBondContact O-CZ2 3.41Å; P56-W65 PolarHBondContact O-NE1 3.24Å; D58-W65 PolarHBondContact O-N 2.85Å; D58-W65 PolarHBondContact O-NE1 2.79Å; W65-G67 PolarHBondContact O-N 2.7Å; W65-I68 PolarHBondContact O-N 3.22Å; W65-A69 PolarHBondContact O-N 3.04Å; W65-Y91 AromaticContact CE3-CD1 3.69Å; W65-Y91 HydrophobicContact CE3-CD1 3.69Å; W65-Y91 AromaticContact CE3-CE1 3.84Å; W65-Y91 HydrophobicContact CE3-CE1 3.84Å; W65-Y91 HydrophobicContact CZ3-CD1 4.27Å; W65-Y91 AromaticContact CZ3-CE1 3.94Å; W65-Y91 HydrophobicContact CZ3-CE1 3.94Å; W65-Q94 HydrophobicContact CB-CB 4.41Å; W65-Q94 HydrophobicContact CD2-CG 4.02Å; W65-Q94 HydrophobicContact CG-CB 4.15Å; W65-Q94 HydrophobicContact CG-CG 3.86Å
66A98.9Very high98.7Very high0 Ų025.9 Ų25.90%013%0.126CC..Hα-helixtrans-65-32.7177.400000111.4G59 T60 G64 A69 V70 P113G59-A66 WeakPolarHBondContact O-CB 3.22Å; G59-A66 PolarHBondContact O-N 3.48Å; T60-A66 PolarHBondContact O-N 2.99Å; G64-A66 PolarHBondContact O-N 3.42Å; A66-A69 PolarHBondContact O-N 3.23Å; A66-V70 WeakPolarHBondContact O-CG2 3.38Å; A66-V70 PolarHBondContact O-N 3.46Å; A66-P113 HydrophobicContact CB-CG 4.12Å
67G98.9Very high98.8Very high0 Ų025.9 Ų25.90%012%0.121CC..Hα-helixtrans-64.3-39.6174.400000112.7T60 G61 G64 W65 V70 L71T60-G67 PolarHBondContact O-N 3.1Å; G61-G67 WeakPolarHBondContact O-CA 3.42Å; G64-G67 PolarHBondContact O-N 3.25Å; G64-G67 VanDerWaalsContact O-N 3.09Å; W65-G67 PolarHBondContact O-N 2.7Å; G67-V70 WeakPolarHBondContact O-CB 3.45Å; G67-V70 PolarHBondContact O-N 3.24Å; G67-L71 PolarHBondContact O-N 3.5Å; G67-L71 VanDerWaalsContact O-N 3.14Å
68I98.9Very high98.8Very high4 Ų418.9 Ų18.92%0.02110%0.1CC..Hα-helixtrans-68.8-38.9175.4-49.7-56.1000111M47 V51 G64 W65 V70 L71 Y72 Y91 F370 A377M47-I68 HydrophobicContact CE-CG2 4.11Å; M47-I68 HydrophobicContact SD-CD1 4.47Å; V51-I68 HydrophobicContact CG1-CD1 4.45Å; G64-I68 PolarHBondContact O-N 2.86Å; W65-I68 PolarHBondContact O-N 3.22Å; I68-V70 VanDerWaalsContact C-N 3.32Å; I68-V70 PolarHBondContact O-N 3.33Å; I68-L71 WeakPolarHBondContact O-CB 3.42Å; I68-L71 PolarHBondContact O-N 2.95Å; I68-Y72 HydrophobicContact CG2-CD2 3.85Å; I68-Y72 HydrophobicContact CG2-CE2 3.75Å; I68-Y72 WeakPolarHBondContact O-CD2 3.12Å; I68-Y72 PolarHBondContact O-N 3.19Å; I68-Y91 HydrophobicContact CB-CD1 4.2Å; I68-Y91 HydrophobicContact CB-CD2 4.28Å; I68-Y91 HydrophobicContact CB-CE1 4.46Å; I68-Y91 HydrophobicContact CB-CG 4.1Å; I68-Y91 HydrophobicContact CG2-CD1 4.08Å; I68-Y91 HydrophobicContact CG2-CD2 3.59Å; I68-Y91 HydrophobicContact CG2-CE1 3.99Å; I68-Y91 HydrophobicContact CG2-CE2 3.51Å; I68-Y91 HydrophobicContact CG2-CG 3.89Å; I68-F370 VanDerWaalsContact CD1-O 3.28Å; I68-F370 WeakPolarHBondContact CD1-O 3.31Å; I68-A377 HydrophobicContact CD1-CB 3.75Å
69A98.9Very high98.8Very high0 Ų020.4 Ų20.40%011%0.105CC..Hα-helixtrans-61.6-39.4173.300000112.5W65 A66 L71 Y72 L73 V92 V116W65-A69 PolarHBondContact O-N 3.04Å; A66-A69 PolarHBondContact O-N 3.23Å; A69-L71 VanDerWaalsContact C-N 3.35Å; A69-Y72 PolarHBondContact O-N 3.41Å; A69-L73 WeakPolarHBondContact O-CG 3.35Å; A69-L73 PolarHBondContact O-N 2.99Å; A69-V92 HydrophobicContact CB-CG2 3.76Å; A69-V116 HydrophobicContact CB-CG1 3.8Å
70V98.9Very high98.8Very high7 Ų722.4 Ų22.44%0.04213%0.125CC..Hα-helixtrans-60.1-44.3173.9167.20000111.3A66 G67 I68 H74 F106 V116 L372 Y381A66-V70 WeakPolarHBondContact O-CG2 3.38Å; A66-V70 PolarHBondContact O-N 3.46Å; G67-V70 WeakPolarHBondContact O-CB 3.45Å; G67-V70 PolarHBondContact O-N 3.24Å; I68-V70 VanDerWaalsContact C-N 3.32Å; I68-V70 PolarHBondContact O-N 3.33Å; V70-H74 PolarHBondContact O-N 3.18Å; V70-H74 VanDerWaalsContact O-N 3.1Å; V70-F106 HydrophobicContact CG2-CE1 4Å; V70-F106 HydrophobicContact CG2-CZ 3.73Å; V70-V116 HydrophobicContact CG2-CG1 4.34Å; V70-V116 HydrophobicContact CG2-CG2 3.5Å; V70-V116 VanDerWaalsContact CG2-CG2 3.5Å; V70-L372 HydrophobicContact CB-CD2 4.21Å; V70-L372 HydrophobicContact CG1-CD2 4.02Å; V70-Y381 HydrophobicContact CG1-CE2 3.97Å
71L98.9Very high98.7Very high0 Ų024.3 Ų24.30%014%0.135CC..Hα-helixtrans-57.4-50.7174.2169.864.7000111.3L44 M47 G67 I68 A69 L73 H74 L75 A377 I380 Y381L44-L71 HydrophobicContact CD2-CD2 4.28Å; M47-L71 HydrophobicContact CE-CD2 3.94Å; M47-L71 HydrophobicContact SD-CD2 3.62Å; G67-L71 PolarHBondContact O-N 3.5Å; G67-L71 VanDerWaalsContact O-N 3.14Å; I68-L71 WeakPolarHBondContact O-CB 3.42Å; I68-L71 PolarHBondContact O-N 2.95Å; A69-L71 VanDerWaalsContact C-N 3.35Å; L71-L73 PolarHBondContact O-N 3.4Å; L71-H74 WeakPolarHBondContact O-CB 3.45Å; L71-H74 PolarHBondContact O-N 3.3Å; L71-H74 VanDerWaalsContact O-N 3.15Å; L71-L75 HydrophobicContact CD1-CD1 3.9Å; L71-L75 HydrophobicContact CD1-CD2 4.41Å; L71-L75 HydrophobicContact CD1-CG 3.92Å; L71-L75 HydrophobicContact CD2-CD1 4.4Å; L71-L75 HydrophobicContact CG-CD1 3.84Å; L71-L75 HydrophobicContact CG-CG 4.28Å; L71-L75 WeakPolarHBondContact O-CG 3.26Å; L71-L75 PolarHBondContact O-N 2.88Å; L71-A377 HydrophobicContact CD2-CB 3.72Å; L71-I380 HydrophobicContact CD1-CB 4.29Å; L71-I380 HydrophobicContact CD1-CG2 3.92Å; L71-I380 HydrophobicContact CD2-CB 4.36Å; L71-I380 HydrophobicContact CD2-CG2 4.27Å; L71-Y381 HydrophobicContact CB-CD2 4.49Å; L71-Y381 HydrophobicContact CD1-CD2 4.09Å; L71-Y381 HydrophobicContact CD1-CG 4.43Å
72Y98.9Very high98.7Very high3 Ų328.5 Ų28.51%0.01216%0.162CC..Hα-helixtrans-69.2-32.1-176-82.6-63.4000114.1L44 M47 E48 I68 A69 H74 L75 Y76 Y84 L87 Y91L44-Y72 HydrophobicContact CD2-CE1 4.05Å; M47-Y72 HydrophobicContact CE-CE2 3.72Å; M47-Y72 WeakPolarHBondContact CE-OH 3.01Å; E48-Y72 VanDerWaalsContact CG-OH 3.23Å; E48-Y72 WeakPolarHBondContact CG-OH 3.5Å; E48-Y72 WeakPolarHBondContact OE1-CE2 3.16Å; E48-Y72 VanDerWaalsContact OE1-CZ 3.24Å; E48-Y72 PolarHBondContact OE1-OH 3.14Å; I68-Y72 HydrophobicContact CG2-CD2 3.85Å; I68-Y72 HydrophobicContact CG2-CE2 3.75Å; I68-Y72 WeakPolarHBondContact O-CD2 3.12Å; I68-Y72 PolarHBondContact O-N 3.19Å; A69-Y72 PolarHBondContact O-N 3.41Å; Y72-H74 VanDerWaalsContact C-N 3.32Å; Y72-L75 HydrophobicContact CD1-CD1 3.88Å; Y72-L75 HydrophobicContact CE1-CD1 4.01Å; Y72-L75 PolarHBondContact O-N 2.88Å; Y72-Y76 WeakPolarHBondContact O-CB 3.48Å; Y72-Y76 PolarHBondContact O-N 3.49Å; Y72-Y84 AromaticContact CD1-CD1 3.61Å; Y72-Y84 HydrophobicContact CD1-CD1 3.61Å; Y72-Y84 HydrophobicContact CD1-CE1 4.43Å; Y72-Y84 HydrophobicContact CD1-CG 4.14Å; Y72-Y84 AromaticContact CE1-CD1 3.65Å; Y72-Y84 HydrophobicContact CE1-CD1 3.65Å; Y72-Y84 HydrophobicContact CE1-CE1 4.1Å; Y72-L87 HydrophobicContact CD1-CB 3.94Å; Y72-L87 HydrophobicContact CD1-CD1 4.04Å; Y72-L87 HydrophobicContact CD2-CB 4Å; Y72-L87 HydrophobicContact CE1-CB 4.09Å; Y72-L87 HydrophobicContact CE1-CD1 3.47Å; Y72-L87 VanDerWaalsContact CE1-CD1 3.47Å; Y72-L87 HydrophobicContact CE1-CG 4.39Å; Y72-L87 HydrophobicContact CE2-CB 4.13Å; Y72-L87 HydrophobicContact CE2-CD1 4.47Å; Y72-L87 HydrophobicContact CG-CB 3.89Å; Y72-Y91 AromaticContact CD2-CD2 3.76Å; Y72-Y91 HydrophobicContact CD2-CD2 3.76Å; Y72-Y91 AromaticContact CD2-CE2 3.74Å; Y72-Y91 HydrophobicContact CD2-CE2 3.74Å; Y72-Y91 AromaticContact CE2-CD2 3.96Å; Y72-Y91 HydrophobicContact CE2-CD2 3.96Å; Y72-Y91 AromaticContact CE2-CE2 3.43Å; Y72-Y91 HydrophobicContact CE2-CE2 3.43Å; Y72-Y91 VanDerWaalsContact CE2-CE2 3.43Å
73L98.9Very high98.7Very high8 Ų829.4 Ų29.44%0.04218%0.175CC..Hα-helixtrans-62.3-41.7169.5-77.1173.9000111.6A69 L71 Y76 D77 L85 A88 V116 L120 K123A69-L73 WeakPolarHBondContact O-CG 3.35Å; A69-L73 PolarHBondContact O-N 2.99Å; L71-L73 PolarHBondContact O-N 3.4Å; L73-Y76 WeakPolarHBondContact O-CB 3.43Å; L73-Y76 PolarHBondContact O-N 2.79Å; L73-D77 PolarHBondContact O-N 3.32Å; L73-D77 VanDerWaalsContact O-N 3.13Å; L73-L85 HydrophobicContact CD2-CD1 3.98Å; L73-A88 HydrophobicContact CD2-CB 4.29Å; L73-A88 HydrophobicContact CG-CB 4.1Å; L73-V116 HydrophobicContact CD1-CG1 3.82Å; L73-L120 HydrophobicContact CD1-CB 4.49Å; L73-L120 HydrophobicContact CD2-CB 4.37Å; L73-L120 HydrophobicContact CD2-CD1 4.14Å; L73-L120 HydrophobicContact CD2-CG 4.49Å; L73-K123 HydrophobicContact CD2-CD 4.02Å
74H98.9Very high98.7Very high20 Ų2029.2 Ų29.29%0.09317%0.171CC..Hα-helixtrans-66-44.8176.1174.267000112.1V70 L71 Y72 Y76 D77 V78 Y381 D385V70-H74 PolarHBondContact O-N 3.18Å; V70-H74 VanDerWaalsContact O-N 3.1Å; L71-H74 WeakPolarHBondContact O-CB 3.45Å; L71-H74 PolarHBondContact O-N 3.3Å; L71-H74 VanDerWaalsContact O-N 3.15Å; Y72-H74 VanDerWaalsContact C-N 3.32Å; H74-Y76 VanDerWaalsContact C-N 3.28Å; H74-Y76 PolarHBondContact O-N 3.25Å; H74-D77 PolarHBondContact O-N 3.07Å; H74-D77 VanDerWaalsContact O-N 3.09Å; H74-V78 WeakPolarHBondContact O-CG2 3.45Å; H74-V78 PolarHBondContact O-N 2.89Å; H74-Y381 HydrophobicContact CB-CD2 4.1Å; H74-Y381 HydrophobicContact CB-CE2 3.38Å; H74-Y381 AromaticContact CD2-CD2 3.97Å; H74-Y381 AromaticContact CD2-CE1 3.9Å; H74-Y381 AromaticContact CD2-CE2 3.82Å; H74-Y381 AromaticContact CD2-CZ 3.78Å; H74-Y381 AromaticContact CG-CE1 3.97Å; H74-Y381 AromaticContact CG-CE2 3.55Å; H74-Y381 AromaticContact CG-CZ 3.44Å; H74-Y381 VanDerWaalsContact CG-CZ 3.44Å; H74-Y381 AromaticContact ND1-CZ 3.75Å; H74-D385 IonicContact CE1-OD1 3.68Å; H74-D385 PolarHBondContact CE1-OD1 2.86Å; H74-D385 PolarHBondContact NE2-N 3.46Å; H74-D385 IonicContact NE2-OD1 3.08Å
75L98.9Very high98.7Very high0 Ų029.7 Ų29.70%017%0.172CC..Hα-helixtrans-60.8-38.1175.6-69.1172.7000112.1I40 L44 L71 Y72 D77 V78 F79 Y84 I380 A384I40-L75 HydrophobicContact CG2-CD2 4.24Å; L44-L75 HydrophobicContact CD1-CD1 3.86Å; L44-L75 HydrophobicContact CD2-CD1 3.78Å; L44-L75 HydrophobicContact CG-CD1 4.39Å; L71-L75 HydrophobicContact CD1-CD1 3.9Å; L71-L75 HydrophobicContact CD1-CD2 4.41Å; L71-L75 HydrophobicContact CD1-CG 3.92Å; L71-L75 HydrophobicContact CD2-CD1 4.4Å; L71-L75 HydrophobicContact CG-CD1 3.84Å; L71-L75 HydrophobicContact CG-CG 4.28Å; L71-L75 WeakPolarHBondContact O-CG 3.26Å; L71-L75 PolarHBondContact O-N 2.88Å; Y72-L75 HydrophobicContact CD1-CD1 3.88Å; Y72-L75 HydrophobicContact CE1-CD1 4.01Å; Y72-L75 PolarHBondContact O-N 2.88Å; L75-D77 VanDerWaalsContact C-N 3.34Å; L75-V78 PolarHBondContact O-N 3.27Å; L75-F79 HydrophobicContact CB-CD2 4.38Å; L75-F79 HydrophobicContact CD2-CD2 3.97Å; L75-F79 HydrophobicContact CD2-CE2 3.64Å; L75-F79 WeakPolarHBondContact O-CB 3.44Å; L75-F79 WeakPolarHBondContact O-CD2 3.5Å; L75-F79 PolarHBondContact O-N 3.42Å; L75-Y84 HydrophobicContact CB-CD1 4.49Å; L75-Y84 HydrophobicContact CB-CD2 3.7Å; L75-Y84 HydrophobicContact CB-CE2 4.05Å; L75-Y84 HydrophobicContact CB-CG 3.95Å; L75-I380 HydrophobicContact CD2-CG2 4.44Å; L75-A384 HydrophobicContact CD2-CB 3.72Å
76Y98.8Very high98.7Very high66 Ų6634.5 Ų34.526%0.25920%0.195SC..Hα-helixtrans-59.9-44.5172.7174.8-108.3000111.7Y72 L73 H74 V78 G80 D81 L85 K123Y72-Y76 WeakPolarHBondContact O-CB 3.48Å; Y72-Y76 PolarHBondContact O-N 3.49Å; L73-Y76 WeakPolarHBondContact O-CB 3.43Å; L73-Y76 PolarHBondContact O-N 2.79Å; H74-Y76 VanDerWaalsContact C-N 3.28Å; H74-Y76 PolarHBondContact O-N 3.25Å; Y76-V78 VanDerWaalsContact C-N 3.35Å; Y76-V78 PolarHBondContact O-N 2.94Å; Y76-G80 WeakPolarHBondContact O-CA 3.37Å; Y76-G80 PolarHBondContact O-N 2.95Å; Y76-D81 WeakPolarHBondContact CD2-O 3.44Å; Y76-L85 HydrophobicContact CD1-CD1 4.48Å; Y76-L85 HydrophobicContact CD2-CB 3.89Å; Y76-L85 HydrophobicContact CE1-CD2 4.43Å; Y76-L85 HydrophobicContact CE2-CB 4.17Å; Y76-L85 HydrophobicContact CE2-CD2 4.47Å; Y76-L85 HydrophobicContact CG-CB 4.11Å; Y76-K123 HydrophobicContact CD1-CD 4.43Å; Y76-K123 HydrophobicContact CE1-CD 4.45Å
77D98.2Very high98.6Very high90 Ų9037.5 Ų37.548%0.48121%0.211SC..Hα-helixtrans-68.9-31.3-180-72.7-15.6000112.9L73 H74 L75 K123L73-D77 PolarHBondContact O-N 3.32Å; L73-D77 VanDerWaalsContact O-N 3.13Å; H74-D77 PolarHBondContact O-N 3.07Å; H74-D77 VanDerWaalsContact O-N 3.09Å; L75-D77 VanDerWaalsContact C-N 3.34Å; D77-K123 IonicContact OD1-NZ 3.59Å; D77-K123 PolarHBondContact OD1-NZ 3.22Å; D77-K123 IonicContact OD2-NZ 3.75Å; D77-K123 PolarHBondContact OD2-NZ 3.49Å
78V98.1Very high98.6Very high49 Ų4937.5 Ų37.530%0.29721%0.211SC..Hα-helixtrans-80.4-44.7178.5174.80000112.3H74 L75 Y76 L387H74-V78 WeakPolarHBondContact O-CG2 3.45Å; H74-V78 PolarHBondContact O-N 2.89Å; L75-V78 PolarHBondContact O-N 3.27Å; Y76-V78 VanDerWaalsContact C-N 3.35Å; Y76-V78 PolarHBondContact O-N 2.94Å; V78-L387 HydrophobicContact CG1-CD1 3.92Å
79F98.4Very high98.6Very high66 Ų6639.4 Ų39.429%0.28922%0.22SC..Hα-helixtrans-103-17.4-171-66.3-71.3000114.4T37 I40 L75 D81 Y84 A384 L387T37-F79 HydrophobicContact CG2-CE1 3.97Å; T37-F79 HydrophobicContact CG2-CZ 4.41Å; I40-F79 HydrophobicContact CD1-CZ 4.05Å; I40-F79 HydrophobicContact CG2-CE2 4.25Å; I40-F79 HydrophobicContact CG2-CZ 4.38Å; L75-F79 HydrophobicContact CB-CD2 4.38Å; L75-F79 HydrophobicContact CD2-CD2 3.97Å; L75-F79 HydrophobicContact CD2-CE2 3.64Å; L75-F79 WeakPolarHBondContact O-CB 3.44Å; L75-F79 WeakPolarHBondContact O-CD2 3.5Å; L75-F79 PolarHBondContact O-N 3.42Å; F79-D81 PolarHBondContact O-N 3.08Å; F79-Y84 HydrophobicContact CB-CD2 4.35Å; F79-Y84 HydrophobicContact CB-CE2 3.91Å; F79-Y84 AromaticContact CD2-CE2 3.91Å; F79-Y84 HydrophobicContact CD2-CE2 3.91Å; F79-Y84 HydrophobicContact CG-CE2 4.18Å; F79-A384 HydrophobicContact CE2-CB 4.33Å; F79-L387 HydrophobicContact CE1-CD1 3.78Å; F79-L387 HydrophobicContact CE2-CD1 4.44Å; F79-L387 HydrophobicContact CZ-CD1 3.51Å
80G98.3Very high98.6Very high48 Ų4841.2 Ų41.250%0.49524%0.238SC..  trans69.25.3-17800000115.2Y76 P82Y76-G80 WeakPolarHBondContact O-CA 3.37Å; Y76-G80 PolarHBondContact O-N 2.95Å; G80-P82 VanDerWaalsContact O-CD 3.26Å; G80-P82 WeakPolarHBondContact O-CD 3.47Å
81D98.3Very high98.6Very high70 Ų7041.8 Ų41.837%0.37424%0.24SC..  trans-74.3114.1-178.4-173.7-18.8000111Y76 F79 A83 Y84Y76-D81 WeakPolarHBondContact CD2-O 3.44Å; F79-D81 PolarHBondContact O-N 3.08Å; D81-A83 PolarHBondContact O-N 3.13Å; D81-A83 VanDerWaalsContact O-N 3.07Å; D81-A83 VanDerWaalsContact OD1-CB 3.25Å; D81-A83 WeakPolarHBondContact OD1-CB 3.22Å; D81-A83 PolarHBondContact OD1-N 3.11Å; D81-Y84 HydrophobicContact CB-CD2 3.77Å; D81-Y84 HydrophobicContact CB-CE2 3.9Å; D81-Y84 HydrophobicContact CB-CG 4.45Å; D81-Y84 WeakPolarHBondContact O-CB 3.33Å; D81-Y84 PolarHBondContact O-N 3.27Å
82P98Very high98.6Very high88 Ų8841.8 Ų41.857%0.57124%0.24SC*.Hα-helixtrans-59.3-21.8-179.2-22.534.4000114.4G80 Y84 L85 Q86G80-P82 VanDerWaalsContact O-CD 3.26Å; G80-P82 WeakPolarHBondContact O-CD 3.47Å; P82-Y84 PolarHBondContact O-N 2.81Å; P82-L85 PolarHBondContact O-N 3.38Å; P82-Q86 PolarHBondContact O-N 3.01Å
83A98.5Very high98.6Very high49 Ų4947.2 Ų47.241%0.40526%0.263SS..Hα-helixtrans-61.8-34175.700000111.9D81 Q86 L87D81-A83 PolarHBondContact O-N 3.13Å; D81-A83 VanDerWaalsContact O-N 3.07Å; D81-A83 VanDerWaalsContact OD1-CB 3.25Å; D81-A83 WeakPolarHBondContact OD1-CB 3.22Å; D81-A83 PolarHBondContact OD1-N 3.11Å; A83-Q86 PolarHBondContact O-N 3.45Å; A83-L87 WeakPolarHBondContact O-CG 3.37Å; A83-L87 PolarHBondContact O-N 2.91Å
84Y98.8Very high98.6Very high30 Ų3050 Ų5012%0.11828%0.276CS..Hα-helixtrans-66.5-38.1175.9-63.9-35.5000112.1L44 Y72 L75 F79 D81 P82 Q86 L87 A88L44-Y84 HydrophobicContact CD1-CE1 4.24Å; Y72-Y84 AromaticContact CD1-CD1 3.61Å; Y72-Y84 HydrophobicContact CD1-CD1 3.61Å; Y72-Y84 HydrophobicContact CD1-CE1 4.43Å; Y72-Y84 HydrophobicContact CD1-CG 4.14Å; Y72-Y84 AromaticContact CE1-CD1 3.65Å; Y72-Y84 HydrophobicContact CE1-CD1 3.65Å; Y72-Y84 HydrophobicContact CE1-CE1 4.1Å; L75-Y84 HydrophobicContact CB-CD1 4.49Å; L75-Y84 HydrophobicContact CB-CD2 3.7Å; L75-Y84 HydrophobicContact CB-CE2 4.05Å; L75-Y84 HydrophobicContact CB-CG 3.95Å; F79-Y84 HydrophobicContact CB-CD2 4.35Å; F79-Y84 HydrophobicContact CB-CE2 3.91Å; F79-Y84 AromaticContact CD2-CE2 3.91Å; F79-Y84 HydrophobicContact CD2-CE2 3.91Å; F79-Y84 HydrophobicContact CG-CE2 4.18Å; D81-Y84 HydrophobicContact CB-CD2 3.77Å; D81-Y84 HydrophobicContact CB-CE2 3.9Å; D81-Y84 HydrophobicContact CB-CG 4.45Å; D81-Y84 WeakPolarHBondContact O-CB 3.33Å; D81-Y84 PolarHBondContact O-N 3.27Å; P82-Y84 PolarHBondContact O-N 2.81Å; Y84-Q86 VanDerWaalsContact C-N 3.31Å; Y84-Q86 PolarHBondContact O-N 3.09Å; Y84-L87 HydrophobicContact CD1-CD1 4.29Å; Y84-L87 PolarHBondContact O-N 2.88Å; Y84-A88 WeakPolarHBondContact O-CB 3.43Å; Y84-A88 PolarHBondContact O-N 3.29Å
85L98.6Very high98.6Very high15 Ų1549 Ų498%0.07927%0.272CS..Hα-helixtrans-64.2-37.7174.1-173.162.6000111.7L73 Y76 P82 A88 H89 K123 M124L73-L85 HydrophobicContact CD2-CD1 3.98Å; Y76-L85 HydrophobicContact CD1-CD1 4.48Å; Y76-L85 HydrophobicContact CD2-CB 3.89Å; Y76-L85 HydrophobicContact CE1-CD2 4.43Å; Y76-L85 HydrophobicContact CE2-CB 4.17Å; Y76-L85 HydrophobicContact CE2-CD2 4.47Å; Y76-L85 HydrophobicContact CG-CB 4.11Å; P82-L85 PolarHBondContact O-N 3.38Å; L85-A88 PolarHBondContact O-N 2.9Å; L85-H89 PolarHBondContact O-N 3.16Å; L85-K123 HydrophobicContact CD1-CB 4.23Å; L85-K123 HydrophobicContact CD1-CD 4.46Å; L85-M124 HydrophobicContact CD2-CG 4.24Å; L85-M124 HydrophobicContact CG-CG 4.39Å
86Q98.6Very high98.6Very high112 Ų11250.7 Ų50.752%0.52328%0.281SS..Hα-helixtrans-67.2-40.8175.3-65.4-57.3-43.300112.7P82 A83 Y84 H89 G90P82-Q86 PolarHBondContact O-N 3.01Å; A83-Q86 PolarHBondContact O-N 3.45Å; Y84-Q86 VanDerWaalsContact C-N 3.31Å; Y84-Q86 PolarHBondContact O-N 3.09Å; Q86-H89 WeakPolarHBondContact O-CB 3.17Å; Q86-H89 PolarHBondContact O-N 3.21Å; Q86-G90 PolarHBondContact O-N 3.19Å; Q86-G90 VanDerWaalsContact O-N 3.13Å
87L98.7Very high98.6Very high62 Ų6254.2 Ų54.233%0.32530%0.304SS..Hα-helixtrans-62.5-47.2174.1-74.5166000111Y72 A83 Y84 H89 G90 Y91Y72-L87 HydrophobicContact CD1-CB 3.94Å; Y72-L87 HydrophobicContact CD1-CD1 4.04Å; Y72-L87 HydrophobicContact CD2-CB 4Å; Y72-L87 HydrophobicContact CE1-CB 4.09Å; Y72-L87 HydrophobicContact CE1-CD1 3.47Å; Y72-L87 VanDerWaalsContact CE1-CD1 3.47Å; Y72-L87 HydrophobicContact CE1-CG 4.39Å; Y72-L87 HydrophobicContact CE2-CB 4.13Å; Y72-L87 HydrophobicContact CE2-CD1 4.47Å; Y72-L87 HydrophobicContact CG-CB 3.89Å; A83-L87 WeakPolarHBondContact O-CG 3.37Å; A83-L87 PolarHBondContact O-N 2.91Å; Y84-L87 HydrophobicContact CD1-CD1 4.29Å; Y84-L87 PolarHBondContact O-N 2.88Å; L87-H89 PolarHBondContact O-N 2.61Å; L87-G90 PolarHBondContact O-N 3.27Å; L87-G90 VanDerWaalsContact O-N 3.1Å; L87-Y91 WeakPolarHBondContact O-CD2 3.49Å; L87-Y91 PolarHBondContact O-N 3.39Å; L87-Y91 VanDerWaalsContact O-N 3.1Å
88A98.9Very high98.6Very high0 Ų050.9 Ų50.90%029%0.287CS..Hα-helixtrans-54.6-41.7174.900000111.6L73 Y84 L85 G90 Y91 V92 L120L73-A88 HydrophobicContact CD2-CB 4.29Å; L73-A88 HydrophobicContact CG-CB 4.1Å; Y84-A88 WeakPolarHBondContact O-CB 3.43Å; Y84-A88 PolarHBondContact O-N 3.29Å; L85-A88 PolarHBondContact O-N 2.9Å; A88-G90 PolarHBondContact O-N 3.21Å; A88-Y91 PolarHBondContact O-N 2.91Å; A88-V92 WeakPolarHBondContact O-CB 3.37Å; A88-V92 WeakPolarHBondContact O-CG2 3.48Å; A88-V92 PolarHBondContact O-N 2.74Å; A88-L120 HydrophobicContact CB-CD1 3.44Å; A88-L120 VanDerWaalsContact CB-CD1 3.44Å
89H98.8Very high98.6Very high45 Ų4551 Ų5121%0.20829%0.286CS..Hα-helixtrans-63.5-41.1179.2175.1-123.8000112L85 Q86 L87 V92 K93 L120 M124L85-H89 PolarHBondContact O-N 3.16Å; Q86-H89 WeakPolarHBondContact O-CB 3.17Å; Q86-H89 PolarHBondContact O-N 3.21Å; L87-H89 PolarHBondContact O-N 2.61Å; H89-V92 PolarHBondContact O-N 3.38Å; H89-K93 WeakPolarHBondContact O-CG 3.32Å; H89-K93 PolarHBondContact O-N 3.12Å; H89-L120 HydrophobicContact CB-CD1 4.15Å; H89-L120 HydrophobicContact CB-CD2 3.9Å; H89-L120 VanDerWaalsContact N-CD1 3.28Å; H89-M124 HydrophobicContact CB-SD 3.95Å
90G98.7Very high98.6Very high38 Ų3851.5 Ų51.539%0.39230%0.295SS..Hα-helixtrans-58-49.7173.300000112.4Q86 L87 A88 K93 Q94Q86-G90 PolarHBondContact O-N 3.19Å; Q86-G90 VanDerWaalsContact O-N 3.13Å; L87-G90 PolarHBondContact O-N 3.27Å; L87-G90 VanDerWaalsContact O-N 3.1Å; A88-G90 PolarHBondContact O-N 3.21Å; G90-K93 PolarHBondContact O-N 2.76Å; G90-Q94 PolarHBondContact O-N 2.91Å; G90-Q94 VanDerWaalsContact O-N 3.08Å
91Y98.9Very high98.6Very high19 Ų1956.9 Ų56.98%0.07530%0.304CS..Hα-helixtrans-68.3-36.2-180-70.7-61.9000113.4E48 V51 W65 I68 Y72 L87 A88 Q94 S95E48-Y91 PolarHBondContact OE1-OH 3.46Å; E48-Y91 PolarHBondContact OE2-OH 3.12Å; V51-Y91 VanDerWaalsContact CG2-OH 3.29Å; V51-Y91 WeakPolarHBondContact CG2-OH 3.37Å; W65-Y91 AromaticContact CE3-CD1 3.69Å; W65-Y91 HydrophobicContact CE3-CD1 3.69Å; W65-Y91 AromaticContact CE3-CE1 3.84Å; W65-Y91 HydrophobicContact CE3-CE1 3.84Å; W65-Y91 HydrophobicContact CZ3-CD1 4.27Å; W65-Y91 AromaticContact CZ3-CE1 3.94Å; W65-Y91 HydrophobicContact CZ3-CE1 3.94Å; I68-Y91 HydrophobicContact CB-CD1 4.2Å; I68-Y91 HydrophobicContact CB-CD2 4.28Å; I68-Y91 HydrophobicContact CB-CE1 4.46Å; I68-Y91 HydrophobicContact CB-CG 4.1Å; I68-Y91 HydrophobicContact CG2-CD1 4.08Å; I68-Y91 HydrophobicContact CG2-CD2 3.59Å; I68-Y91 HydrophobicContact CG2-CE1 3.99Å; I68-Y91 HydrophobicContact CG2-CE2 3.51Å; I68-Y91 HydrophobicContact CG2-CG 3.89Å; Y72-Y91 AromaticContact CD2-CD2 3.76Å; Y72-Y91 HydrophobicContact CD2-CD2 3.76Å; Y72-Y91 AromaticContact CD2-CE2 3.74Å; Y72-Y91 HydrophobicContact CD2-CE2 3.74Å; Y72-Y91 AromaticContact CE2-CD2 3.96Å; Y72-Y91 HydrophobicContact CE2-CD2 3.96Å; Y72-Y91 AromaticContact CE2-CE2 3.43Å; Y72-Y91 HydrophobicContact CE2-CE2 3.43Å; Y72-Y91 VanDerWaalsContact CE2-CE2 3.43Å; L87-Y91 WeakPolarHBondContact O-CD2 3.49Å; L87-Y91 PolarHBondContact O-N 3.39Å; L87-Y91 VanDerWaalsContact O-N 3.1Å; A88-Y91 PolarHBondContact O-N 2.91Å; Y91-Q94 PolarHBondContact O-N 3.13Å; Y91-S95 WeakPolarHBondContact O-CB 3.41Å; Y91-S95 PolarHBondContact O-N 3.08Å
92V98.8Very high98.5Very high0 Ų063.7 Ų63.70%033%0.325CS..Hα-helixtrans-58.3-50.8171.41610000110.3A69 A88 H89 Q94 S95 L96 V116 A117 L120A69-V92 HydrophobicContact CB-CG2 3.76Å; A88-V92 WeakPolarHBondContact O-CB 3.37Å; A88-V92 WeakPolarHBondContact O-CG2 3.48Å; A88-V92 PolarHBondContact O-N 2.74Å; H89-V92 PolarHBondContact O-N 3.38Å; V92-Q94 PolarHBondContact O-N 3.13Å; V92-S95 PolarHBondContact O-N 2.57Å; V92-S95 VanDerWaalsContact O-N 3.14Å; V92-S95 PolarHBondContact O-OG 3.15Å; V92-L96 HydrophobicContact CG1-CD1 3.97Å; V92-L96 HydrophobicContact CG1-CG 4.41Å; V92-L96 WeakPolarHBondContact O-CG 3.31Å; V92-L96 PolarHBondContact O-N 3.48Å; V92-V116 HydrophobicContact CG2-CG1 3.79Å; V92-A117 HydrophobicContact CG1-CB 3.53Å; V92-L120 HydrophobicContact CB-CD1 4.39Å; V92-L120 HydrophobicContact CG2-CB 4.19Å; V92-L120 HydrophobicContact CG2-CD1 3.79Å; V92-L120 HydrophobicContact CG2-CG 4.38Å
93K98.7Very high98.6Very high116 Ų11660.2 Ų60.250%0.50430%0.302SS..Hα-helixtrans-57.7-39.9178.8-74.8-18065.2-179.50112H89 G90 N97H89-K93 WeakPolarHBondContact O-CG 3.32Å; H89-K93 PolarHBondContact O-N 3.12Å; G90-K93 PolarHBondContact O-N 2.76Å; K93-N97 PolarHBondContact O-ND2 3.35Å
94Q98.6Very high98.6Very high67 Ų6758.1 Ų58.131%0.31328%0.284SS..Hα-helixtrans-66.5-45.7177.1-164170.4-11.400111.6W65 G90 Y91 V92 L96 N97 C98W65-Q94 HydrophobicContact CB-CB 4.41Å; W65-Q94 HydrophobicContact CD2-CG 4.02Å; W65-Q94 HydrophobicContact CG-CB 4.15Å; W65-Q94 HydrophobicContact CG-CG 3.86Å; G90-Q94 PolarHBondContact O-N 2.91Å; G90-Q94 VanDerWaalsContact O-N 3.08Å; Y91-Q94 PolarHBondContact O-N 3.13Å; V92-Q94 PolarHBondContact O-N 3.13Å; Q94-L96 VanDerWaalsContact C-N 3.3Å; Q94-L96 PolarHBondContact O-N 2.96Å; Q94-N97 WeakPolarHBondContact O-CB 3.44Å; Q94-N97 PolarHBondContact O-N 3.05Å; Q94-N97 VanDerWaalsContact O-N 3.14Å; Q94-C98 PolarHBondContact O-SG 3.38Å
95S98.8Very high98.6Very high0 Ų056.7 Ų56.70%028%0.279CS..Hα-helixtrans-61.1-34.6178.8770000113.7Y91 V92 N97 C98Y91-S95 WeakPolarHBondContact O-CB 3.41Å; Y91-S95 PolarHBondContact O-N 3.08Å; V92-S95 PolarHBondContact O-N 2.57Å; V92-S95 VanDerWaalsContact O-N 3.14Å; V92-S95 PolarHBondContact O-OG 3.15Å; S95-N97 PolarHBondContact O-N 3.34Å; S95-C98 WeakPolarHBondContact O-CB 3.47Å; S95-C98 PolarHBondContact O-N 3.43Å
96L98.8Very high98.6Very high35 Ų3556 Ų5618%0.18328%0.275CS..Hα-helixtrans-69.1-17.7179.4-71.1173.2000113.2V92 Q94 L99 P113 L114 A117 Y121V92-L96 HydrophobicContact CG1-CD1 3.97Å; V92-L96 HydrophobicContact CG1-CG 4.41Å; V92-L96 WeakPolarHBondContact O-CG 3.31Å; V92-L96 PolarHBondContact O-N 3.48Å; Q94-L96 VanDerWaalsContact C-N 3.3Å; Q94-L96 PolarHBondContact O-N 2.96Å; L96-L99 HydrophobicContact CD2-CD1 4.47Å; L96-L99 WeakPolarHBondContact O-CG 3.31Å; L96-P113 HydrophobicContact CD2-CB 4.12Å; L96-L114 HydrophobicContact CD2-CD2 4.33Å; L96-A117 HydrophobicContact CD1-CB 4.02Å; L96-A117 HydrophobicContact CD2-CB 4.15Å; L96-A117 HydrophobicContact CG-CB 4.39Å; L96-Y121 HydrophobicContact CD1-CE2 4.37Å
97N98.6Very high98.6Very high140 Ų14050.8 Ų50.875%0.74925%0.251SS*.THydrogen-bonded Turntrans-81.3-5.1172.1-61.5-38.5000112.8K93 Q94 S95K93-N97 PolarHBondContact O-ND2 3.35Å; Q94-N97 WeakPolarHBondContact O-CB 3.44Å; Q94-N97 PolarHBondContact O-N 3.05Å; Q94-N97 VanDerWaalsContact O-N 3.14Å; S95-N97 PolarHBondContact O-N 3.34Å
98C98.6Very high98.6Very high20 Ų2048.9 Ų48.914%0.13524%0.242CC..THydrogen-bonded Turntrans-106.910.1-174.9-54.70000113.1R57 Q94 S95 T100R57-C98 WeakPolarHBondContact O-CB 3.34Å; R57-C98 PolarHBondContact O-SG 3.17Å; Q94-C98 PolarHBondContact O-SG 3.38Å; S95-C98 WeakPolarHBondContact O-CB 3.47Å; S95-C98 PolarHBondContact O-N 3.43Å; C98-T100 WeakPolarHBondContact O-CG2 3.4Å; C98-T100 PolarHBondContact O-N 2.89Å
99L98.6Very high98.6Very high51 Ų5149.1 Ų49.127%0.26725%0.245SC..  trans-64.1129-179.3-60.8-177.9000111L96 D110 P113 L114L96-L99 HydrophobicContact CD2-CD1 4.47Å; L96-L99 WeakPolarHBondContact O-CG 3.31Å; L99-D110 HydrophobicContact CD2-CB 3.87Å; L99-P113 HydrophobicContact CD2-CB 3.73Å; L99-P113 HydrophobicContact CD2-CG 3.97Å; L99-L114 HydrophobicContact CD1-CD2 4.44Å
100T98.3Very high98.6Very high77 Ų7747.3 Ų47.347%0.47224%0.237SC..  trans-116.8-16.1-173.864.80000113.7C98 R102 D110C98-T100 WeakPolarHBondContact O-CG2 3.4Å; C98-T100 PolarHBondContact O-N 2.89Å; T100-R102 PolarHBondContact O-N 3.22Å; T100-R102 PolarHBondContact OG1-N 2.86Å; T100-D110 PolarHBondContact N-OD1 3.04Å; T100-D110 PolarHBondContact N-OD2 2.75Å
101K97.8Very high98.6Very high160 Ų16045.5 Ų45.570%0.69622%0.218SC*.SBendtrans55.429.3-171.2-54.9-178.3178.6179.40113.7D110K101-D110 VanDerWaalsContact CA-OD2 3.31Å; K101-D110 WeakPolarHBondContact CA-OD2 3.43Å; K101-D110 PolarHBondContact N-OD1 2.75Å; K101-D110 PolarHBondContact N-OD2 3.32Å
102R97.3Very high98.6Very high213 Ų21344.6 Ų44.680%0.80422%0.215SC*.SBendtrans-104.9-18.3-178.7-67.3179.7-178.5175-0.7114.6T100T100-R102 PolarHBondContact O-N 3.22Å; T100-R102 PolarHBondContact OG1-N 2.86Å
103S98.5Very high98.6Very high15 Ų1544.8 Ų44.811%0.10522%0.216CC..  trans-145.5152177.5-1780000110.4G109 D110S103-G109 WeakPolarHBondContact O-CA 3.05Å; S103-D110 PolarHBondContact O-N 3.14Å; S103-D110 VanDerWaalsContact O-N 3.1Å
104I98.8Very high98.6Very high5 Ų539.4 Ų39.43%0.02619%0.193CC..  trans-100-4-173.961169.5000113.5A111 L140 I143 A147 Y158I104-A111 WeakPolarHBondContact O-CB 3.47Å; I104-L140 HydrophobicContact CB-CD2 4.49Å; I104-L140 HydrophobicContact CG2-CG 4.4Å; I104-L140 WeakPolarHBondContact CG2-O 3.48Å; I104-I143 HydrophobicContact CG2-CD1 3.66Å; I104-I143 HydrophobicContact CG2-CG1 3.55Å; I104-A147 HydrophobicContact CD1-CB 3.75Å; I104-Y158 HydrophobicContact CB-CD2 4.44Å; I104-Y158 HydrophobicContact CB-CG 4.49Å; I104-Y158 HydrophobicContact CD1-CG 4.48Å; I104-Y158 WeakPolarHBondContact O-CB 3.41Å; I104-Y158 WeakPolarHBondContact O-CD2 3.26Å
105T98.9Very high98.7Very high0 Ų036.2 Ų36.20%018%0.178CC..  trans-91.5157.6-166.7610000113.9L107 C108 G109 G112 L152 G154T105-L107 VanDerWaalsContact C-N 3.26Å; T105-L107 PolarHBondContact O-N 2.92Å; T105-C108 PolarHBondContact OG1-N 2.99Å; T105-G109 CarbonylContact O-C 3.24Å; T105-G109 VanDerWaalsContact O-C 3.29Å; T105-G109 VanDerWaalsContact O-CA 3.24Å; T105-G109 WeakPolarHBondContact O-CA 3.35Å; T105-G109 PolarHBondContact O-N 3.44Å; T105-G109 PolarHBondContact OG1-N 2.97Å; T105-G112 PolarHBondContact O-N 3.47Å; T105-L152 WeakPolarHBondContact CB-O 3.39Å; T105-L152 WeakPolarHBondContact CG2-O 3.48Å; T105-L152 PolarHBondContact OG1-O 3.24Å; T105-G154 VanDerWaalsContact CG2-O 3.23Å; T105-G154 WeakPolarHBondContact CG2-O 3.41Å
106F98.9Very high98.7Very high2 Ų236.2 Ų36.21%0.00918%0.178CC..THydrogen-bonded Turntrans-60-39.6172.2-170.3-91.4000112.1V70 G112 A115 V116 G157 Y160 A161 F164 A396V70-F106 HydrophobicContact CG2-CE1 4Å; V70-F106 HydrophobicContact CG2-CZ 3.73Å; F106-G112 WeakPolarHBondContact O-CA 3.44Å; F106-A115 HydrophobicContact CD2-CB 4.08Å; F106-A115 HydrophobicContact CE2-CB 4Å; F106-V116 HydrophobicContact CE2-CG2 3.69Å; F106-V116 HydrophobicContact CZ-CG2 3.51Å; F106-G157 PolarHBondContact N-O 2.85Å; F106-Y160 HydrophobicContact CB-CD1 3.74Å; F106-Y160 HydrophobicContact CB-CE1 4.45Å; F106-Y160 AromaticContact CD1-CD1 3.86Å; F106-Y160 HydrophobicContact CD1-CD1 3.86Å; F106-Y160 AromaticContact CD1-CE1 3.72Å; F106-Y160 HydrophobicContact CD1-CE1 3.72Å; F106-Y160 AromaticContact CD2-CD1 3.87Å; F106-Y160 HydrophobicContact CD2-CD1 3.87Å; F106-Y160 AromaticContact CD2-CE1 3.92Å; F106-Y160 HydrophobicContact CD2-CE1 3.92Å; F106-Y160 HydrophobicContact CE1-CD1 4.42Å; F106-Y160 AromaticContact CE1-CE1 3.83Å; F106-Y160 HydrophobicContact CE1-CE1 3.83Å; F106-Y160 HydrophobicContact CE2-CD1 4.41Å; F106-Y160 AromaticContact CE2-CE1 4Å; F106-Y160 HydrophobicContact CE2-CE1 4Å; F106-Y160 AromaticContact CG-CD1 3.54Å; F106-Y160 HydrophobicContact CG-CD1 3.54Å; F106-Y160 AromaticContact CG-CE1 3.76Å; F106-Y160 HydrophobicContact CG-CE1 3.76Å; F106-Y160 AromaticContact CZ-CE1 3.95Å; F106-Y160 HydrophobicContact CZ-CE1 3.95Å; F106-A161 HydrophobicContact CB-CB 4.03Å; F106-A161 HydrophobicContact CD2-CB 3.84Å; F106-A161 HydrophobicContact CG-CB 4.45Å; F106-F164 HydrophobicContact CE2-CB 4.41Å; F106-F164 AromaticContact CE2-CD1 3.88Å; F106-F164 HydrophobicContact CE2-CD1 3.88Å; F106-F164 HydrophobicContact CE2-CD2 4.41Å; F106-F164 HydrophobicContact CE2-CE1 4.23Å; F106-F164 AromaticContact CE2-CG 3.97Å; F106-F164 HydrophobicContact CE2-CG 3.97Å; F106-F164 HydrophobicContact CZ-CD1 4.47Å; F106-F164 HydrophobicContact CZ-CD2 4.41Å; F106-F164 HydrophobicContact CZ-CE2 4.45Å; F106-F164 HydrophobicContact CZ-CG 4.42Å; F106-F164 HydrophobicContact CZ-CZ 4.49Å; F106-A396 HydrophobicContact CD1-CB 3.76Å; F106-A396 HydrophobicContact CE1-CB 3.8Å
107L98.9Very high98.7Very high1 Ų134.6 Ų34.61%0.00517%0.169CC..THydrogen-bonded Turntrans-79.9-45.5-173.1-75.2169.6000112.7T60 G61 Y62 T105 M151 L152 W275 F373 A396T60-L107 WeakPolarHBondContact CB-O 3.29Å; G61-L107 CarbonylContact C-O 3.18Å; G61-L107 WeakPolarHBondContact CA-O 3.28Å; G61-L107 PolarHBondContact N-O 2.82Å; Y62-L107 WeakPolarHBondContact CB-O 3.47Å; Y62-L107 HydrophobicContact CD2-CD2 4.43Å; Y62-L107 PolarHBondContact N-O 3.12Å; T105-L107 VanDerWaalsContact C-N 3.26Å; T105-L107 PolarHBondContact O-N 2.92Å; L107-M151 HydrophobicContact CD1-CE 4.43Å; L107-L152 HydrophobicContact CB-CD2 4.17Å; L107-L152 HydrophobicContact CD1-CD2 3.4Å; L107-L152 HydrophobicContact CG-CD2 4.39Å; L107-W275 HydrophobicContact CD1-CH2 4.36Å; L107-F373 HydrophobicContact CD1-CE1 4.35Å; L107-F373 HydrophobicContact CD1-CZ 4.2Å; L107-F373 HydrophobicContact CD2-CD2 3.75Å; L107-F373 HydrophobicContact CD2-CE1 4.14Å; L107-F373 HydrophobicContact CD2-CE2 3.24Å; L107-F373 HydrophobicContact CD2-CG 4.42Å; L107-F373 HydrophobicContact CD2-CZ 3.47Å; L107-F373 VanDerWaalsContact CD2-CZ 3.47Å; L107-F373 HydrophobicContact CG-CZ 4.49Å; L107-A396 HydrophobicContact CD2-CB 3.57Å; L107-A396 HydrophobicContact CG-CB 4.16Å
108C98.8Very high98.7Very high22 Ų2227.9 Ų27.915%0.14913%0.133CC..THydrogen-bonded Turntrans-1247.8-169.5-55.40000113.9T105 L152 Y153T105-C108 PolarHBondContact OG1-N 2.99Å; C108-L152 VanDerWaalsContact CB-O 3.29Å; C108-L152 WeakPolarHBondContact CB-O 3.32Å; C108-Y153 HydrophobicContact CB-CD1 3.92Å; C108-Y153 HydrophobicContact CB-CE1 3.48Å; C108-Y153 VanDerWaalsContact CB-CE1 3.48Å
109G98.7Very high98.7Very high5 Ų527 Ų275%0.05213%0.127CC..SBendtrans-132.9-175.3-175.700000114.4S103 T105 A111 G112 P113S103-G109 WeakPolarHBondContact O-CA 3.05Å; T105-G109 CarbonylContact O-C 3.24Å; T105-G109 VanDerWaalsContact O-C 3.29Å; T105-G109 VanDerWaalsContact O-CA 3.24Å; T105-G109 WeakPolarHBondContact O-CA 3.35Å; T105-G109 PolarHBondContact O-N 3.44Å; T105-G109 PolarHBondContact OG1-N 2.97Å; G109-A111 PolarHBondContact O-N 3.2Å; G109-G112 PolarHBondContact O-N 2.89Å; G109-P113 VanDerWaalsContact O-CD 3.24Å; G109-P113 WeakPolarHBondContact O-CD 3.34Å
110D98.9Very high98.7Very high7 Ų724.5 Ų24.54%0.03711%0.114CC..THydrogen-bonded Turntrans-66.2-18.9-176.4-72.715.3000112.1L99 T100 K101 S103 G112 L114 L140L99-D110 HydrophobicContact CD2-CB 3.87Å; T100-D110 PolarHBondContact N-OD1 3.04Å; T100-D110 PolarHBondContact N-OD2 2.75Å; K101-D110 VanDerWaalsContact CA-OD2 3.31Å; K101-D110 WeakPolarHBondContact CA-OD2 3.43Å; K101-D110 PolarHBondContact N-OD1 2.75Å; K101-D110 PolarHBondContact N-OD2 3.32Å; S103-D110 PolarHBondContact O-N 3.14Å; S103-D110 VanDerWaalsContact O-N 3.1Å; D110-G112 VanDerWaalsContact C-N 3.27Å; D110-G112 PolarHBondContact O-N 3.39Å; D110-L114 HydrophobicContact CB-CD1 4.43Å; D110-L114 WeakPolarHBondContact O-CB 3.19Å; D110-L114 WeakPolarHBondContact O-CD1 3.42Å; D110-L114 WeakPolarHBondContact O-CG 3.39Å; D110-L114 PolarHBondContact O-N 2.76Å; D110-L114 VanDerWaalsContact O-N 3.14Å; D110-L140 HydrophobicContact CB-CD1 3.8Å; D110-L140 HydrophobicContact CB-CD2 3.94Å
111A98.9Very high98.7Very high0 Ų022.1 Ų22.10%010%0.097CC..Hα-helixtrans-66.5-28.3177.800000112.9I104 G109 A115 L137 L140 Y158 A161I104-A111 WeakPolarHBondContact O-CB 3.47Å; G109-A111 PolarHBondContact O-N 3.2Å; A111-A115 WeakPolarHBondContact O-CB 3.07Å; A111-A115 PolarHBondContact O-N 3.42Å; A111-L137 HydrophobicContact CB-CD1 3.48Å; A111-L137 VanDerWaalsContact CB-CD1 3.48Å; A111-L140 HydrophobicContact CB-CD2 3.68Å; A111-L140 VanDerWaalsContact N-CD2 3.35Å; A111-Y158 HydrophobicContact CB-CD2 4.04Å; A111-Y158 HydrophobicContact CB-CE2 4.48Å; A111-A161 HydrophobicContact CB-CB 3.73Å
112G98.9Very high98.8Very high0 Ų017.1 Ų17.10%08%0.076CC..Hα-helixtrans-60.8-66.1174.800000111.5T105 F106 G109 D110 L114 A115 V116T105-G112 PolarHBondContact O-N 3.47Å; F106-G112 WeakPolarHBondContact O-CA 3.44Å; G109-G112 PolarHBondContact O-N 2.89Å; D110-G112 VanDerWaalsContact C-N 3.27Å; D110-G112 PolarHBondContact O-N 3.39Å; G112-L114 VanDerWaalsContact C-N 3.27Å; G112-L114 PolarHBondContact O-N 3.29Å; G112-A115 PolarHBondContact O-N 3.06Å; G112-V116 WeakPolarHBondContact O-CB 3.4Å; G112-V116 WeakPolarHBondContact O-CG2 3.42Å; G112-V116 PolarHBondContact O-N 3.12Å
113P98.9Very high98.8Very high4 Ų410 Ų103%0.0265%0.051CC..Hα-helixtrans-50.2-43.7175.1-3036000113.7G59 A66 L96 L99 G109 A117G59-P113 WeakPolarHBondContact O-CG 3.24Å; A66-P113 HydrophobicContact CB-CG 4.12Å; L96-P113 HydrophobicContact CD2-CB 4.12Å; L99-P113 HydrophobicContact CD2-CB 3.73Å; L99-P113 HydrophobicContact CD2-CG 3.97Å; G109-P113 VanDerWaalsContact O-CD 3.24Å; G109-P113 WeakPolarHBondContact O-CD 3.34Å; P113-A117 WeakPolarHBondContact O-CB 3.45Å; P113-A117 PolarHBondContact O-N 2.95Å
114L98.9Very high98.8Very high4 Ų412.1 Ų12.12%0.0216%0.06CC..Hα-helixtrans-68.7-48.4-177.4-69.6171.1000113L96 L99 D110 G112 A117 A118 R136 L137L96-L114 HydrophobicContact CD2-CD2 4.33Å; L99-L114 HydrophobicContact CD1-CD2 4.44Å; D110-L114 HydrophobicContact CB-CD1 4.43Å; D110-L114 WeakPolarHBondContact O-CB 3.19Å; D110-L114 WeakPolarHBondContact O-CD1 3.42Å; D110-L114 WeakPolarHBondContact O-CG 3.39Å; D110-L114 PolarHBondContact O-N 2.76Å; D110-L114 VanDerWaalsContact O-N 3.14Å; G112-L114 VanDerWaalsContact C-N 3.27Å; G112-L114 PolarHBondContact O-N 3.29Å; L114-A117 PolarHBondContact O-N 3.4Å; L114-A118 WeakPolarHBondContact O-CB 3.19Å; L114-A118 PolarHBondContact O-N 3.47Å; L114-R136 HydrophobicContact CD1-CB 4.13Å; L114-R136 HydrophobicContact CD2-CB 4.02Å; L114-L137 HydrophobicContact CB-CB 4.27Å; L114-L137 HydrophobicContact CB-CD1 4.36Å
115A98.9Very high98.8Very high0 Ų018.7 Ų18.70%010%0.095CC..Hα-helixtrans-67.4-41.3-178.300000111.7F106 A111 G112 A118 V119 L137 A161 F164 V165F106-A115 HydrophobicContact CD2-CB 4.08Å; F106-A115 HydrophobicContact CE2-CB 4Å; A111-A115 WeakPolarHBondContact O-CB 3.07Å; A111-A115 PolarHBondContact O-N 3.42Å; G112-A115 PolarHBondContact O-N 3.06Å; A115-A118 PolarHBondContact O-N 3.46Å; A115-V119 PolarHBondContact O-N 3.01Å; A115-L137 HydrophobicContact CB-CD2 3.98Å; A115-A161 HydrophobicContact CB-CB 4.01Å; A115-F164 HydrophobicContact CB-CD1 4.15Å; A115-V165 HydrophobicContact CB-CG2 3.87Å
116V98.9Very high98.8Very high0 Ų021 Ų210%011%0.107CC..Hα-helixtrans-65.4-42.9176.5-179.90000110.7A69 V70 L73 V92 F106 G112 A118 V119 L120 F164A69-V116 HydrophobicContact CB-CG1 3.8Å; V70-V116 HydrophobicContact CG2-CG1 4.34Å; V70-V116 HydrophobicContact CG2-CG2 3.5Å; V70-V116 VanDerWaalsContact CG2-CG2 3.5Å; L73-V116 HydrophobicContact CD1-CG1 3.82Å; V92-V116 HydrophobicContact CG2-CG1 3.79Å; F106-V116 HydrophobicContact CE2-CG2 3.69Å; F106-V116 HydrophobicContact CZ-CG2 3.51Å; G112-V116 WeakPolarHBondContact O-CB 3.4Å; G112-V116 WeakPolarHBondContact O-CG2 3.42Å; G112-V116 PolarHBondContact O-N 3.12Å; V116-A118 PolarHBondContact O-N 2.96Å; V116-V119 PolarHBondContact O-N 3.45Å; V116-L120 WeakPolarHBondContact O-CB 3.28Å; V116-L120 PolarHBondContact O-N 3.06Å; V116-F164 HydrophobicContact CG2-CE1 4.34Å
117A98.9Very high98.8Very high0 Ų024.3 Ų24.30%012%0.123CC..Hα-helixtrans-60.8-44.6175.300000112.5V92 L96 P113 L114 V119 L120 Y121V92-A117 HydrophobicContact CG1-CB 3.53Å; L96-A117 HydrophobicContact CD1-CB 4.02Å; L96-A117 HydrophobicContact CD2-CB 4.15Å; L96-A117 HydrophobicContact CG-CB 4.39Å; P113-A117 WeakPolarHBondContact O-CB 3.45Å; P113-A117 PolarHBondContact O-N 2.95Å; L114-A117 PolarHBondContact O-N 3.4Å; A117-V119 VanDerWaalsContact C-N 3.35Å; A117-V119 PolarHBondContact O-N 3.29Å; A117-L120 PolarHBondContact O-N 3.11Å; A117-Y121 HydrophobicContact CB-CD2 4.17Å; A117-Y121 HydrophobicContact CB-CE2 3.97Å; A117-Y121 WeakPolarHBondContact O-CB 3.13Å; A117-Y121 WeakPolarHBondContact O-CD2 3.2Å; A117-Y121 PolarHBondContact O-N 2.93Å
118A98.9Very high98.8Very high0 Ų032.6 Ų32.60%016%0.159CC..Hα-helixtrans-56-49.8179.400000111.6L114 A115 V116 H122 C133 I134 V165 F169L114-A118 WeakPolarHBondContact O-CB 3.19Å; L114-A118 PolarHBondContact O-N 3.47Å; A115-A118 PolarHBondContact O-N 3.46Å; V116-A118 PolarHBondContact O-N 2.96Å; A118-H122 WeakPolarHBondContact O-CB 3.4Å; A118-H122 PolarHBondContact O-N 3.47Å; A118-C133 HydrophobicContact CB-CB 3.77Å; A118-I134 HydrophobicContact CB-CG1 3.97Å; A118-V165 HydrophobicContact CB-CG2 4.39Å; A118-F169 HydrophobicContact CB-CE2 4.33Å; A118-F169 HydrophobicContact CB-CZ 4.49Å
119V98.9Very high98.8Very high0 Ų035.1 Ų35.10%017%0.168CC..Hα-helixtrans-66.3-41.2179.2171.60000111.8A115 V116 A117 H122 K123 F164 N168 F169A115-V119 PolarHBondContact O-N 3.01Å; V116-V119 PolarHBondContact O-N 3.45Å; A117-V119 VanDerWaalsContact C-N 3.35Å; A117-V119 PolarHBondContact O-N 3.29Å; V119-H122 PolarHBondContact O-N 3.47Å; V119-K123 PolarHBondContact O-N 3.38Å; V119-F164 HydrophobicContact CB-CE1 4.05Å; V119-F164 HydrophobicContact CG2-CD1 3.98Å; V119-F164 HydrophobicContact CG2-CE1 3.63Å; V119-F164 HydrophobicContact CG2-CZ 4.48Å; V119-N168 HydrophobicContact CB-CB 4.23Å; V119-N168 HydrophobicContact CG1-CB 3.56Å; V119-N168 HydrophobicContact CG2-CB 3.57Å; V119-F169 HydrophobicContact CG2-CD2 4.22Å; V119-F169 HydrophobicContact CG2-CE2 4.01Å
120L98.9Very high98.8Very high0 Ų034.9 Ų34.90%017%0.166CC..Hα-helixtrans-63.8-47178.4-178.5136.1000111.7L73 A88 H89 V92 V116 A117 H122 K123 M124L73-L120 HydrophobicContact CD1-CB 4.49Å; L73-L120 HydrophobicContact CD2-CB 4.37Å; L73-L120 HydrophobicContact CD2-CD1 4.14Å; L73-L120 HydrophobicContact CD2-CG 4.49Å; A88-L120 HydrophobicContact CB-CD1 3.44Å; A88-L120 VanDerWaalsContact CB-CD1 3.44Å; H89-L120 HydrophobicContact CB-CD1 4.15Å; H89-L120 HydrophobicContact CB-CD2 3.9Å; H89-L120 VanDerWaalsContact N-CD1 3.28Å; V92-L120 HydrophobicContact CB-CD1 4.39Å; V92-L120 HydrophobicContact CG2-CB 4.19Å; V92-L120 HydrophobicContact CG2-CD1 3.79Å; V92-L120 HydrophobicContact CG2-CG 4.38Å; V116-L120 WeakPolarHBondContact O-CB 3.28Å; V116-L120 PolarHBondContact O-N 3.06Å; A117-L120 PolarHBondContact O-N 3.11Å; L120-H122 VanDerWaalsContact C-N 3.29Å; L120-H122 PolarHBondContact O-N 2.92Å; L120-K123 PolarHBondContact O-N 3.49Å; L120-M124 HydrophobicContact CD2-CG 4.5Å; L120-M124 HydrophobicContact CD2-SD 3.62Å; L120-M124 HydrophobicContact CG-SD 4.34Å; L120-M124 WeakPolarHBondContact O-CG 3.44Å; L120-M124 PolarHBondContact O-N 3.44Å
121Y98.9Very high98.7Very high26 Ų2638 Ų3810%0.10218%0.18CC..Hα-helixtrans-63.4-37.1178-72.4-51000111.7L96 A117 M124 N125 N126 Q129L96-Y121 HydrophobicContact CD1-CE2 4.37Å; A117-Y121 HydrophobicContact CB-CD2 4.17Å; A117-Y121 HydrophobicContact CB-CE2 3.97Å; A117-Y121 WeakPolarHBondContact O-CB 3.13Å; A117-Y121 WeakPolarHBondContact O-CD2 3.2Å; A117-Y121 PolarHBondContact O-N 2.93Å; Y121-M124 CarbonylContact O-C 3.59Å; Y121-M124 PolarHBondContact O-N 3.01Å; Y121-M124 VanDerWaalsContact O-N 3.15Å; Y121-N125 PolarHBondContact O-N 3.26Å; Y121-N126 HydrophobicContact CD1-CB 4.33Å; Y121-N126 WeakPolarHBondContact O-CA 3.39Å; Y121-N126 WeakPolarHBondContact O-CB 3.28Å; Y121-N126 PolarHBondContact O-N 2.96Å; Y121-Q129 HydrophobicContact CD1-CB 3.97Å; Y121-Q129 HydrophobicContact CD2-CB 3.52Å; Y121-Q129 HydrophobicContact CE1-CB 4.24Å; Y121-Q129 HydrophobicContact CE1-CG 4.43Å; Y121-Q129 HydrophobicContact CE2-CB 3.8Å; Y121-Q129 HydrophobicContact CE2-CG 4.34Å; Y121-Q129 HydrophobicContact CG-CB 3.62Å
122H98.7Very high98.7Very high55 Ų5541.9 Ų41.926%0.25520%0.201SC..Hα-helixtrans-60.7-47.9172179.856000112.4A118 V119 L120 M124 N125 E127 A130 F169A118-H122 WeakPolarHBondContact O-CB 3.4Å; A118-H122 PolarHBondContact O-N 3.47Å; V119-H122 PolarHBondContact O-N 3.47Å; L120-H122 VanDerWaalsContact C-N 3.29Å; L120-H122 PolarHBondContact O-N 2.92Å; H122-M124 PolarHBondContact O-N 3.23Å; H122-M124 VanDerWaalsContact O-N 3.11Å; H122-N125 PolarHBondContact O-N 2.77Å; H122-E127 IonicContact CE1-OE1 3.63Å; H122-E127 IonicContact CG-OE1 2.67Å; H122-E127 IonicContact ND1-OE1 2.9Å; H122-E127 PolarHBondContact ND1-OE1 3.32Å; H122-E127 IonicContact ND1-OE2 3.15Å; H122-A130 HydrophobicContact CB-CB 4.42Å; H122-F169 HydrophobicContact CB-CD1 4.27Å; H122-F169 HydrophobicContact CB-CE1 3.58Å; H122-F169 HydrophobicContact CB-CE2 4.16Å; H122-F169 HydrophobicContact CB-CZ 3.54Å; H122-F169 AromaticContact CD2-CD1 3.71Å; H122-F169 AromaticContact CD2-CE1 3.93Å; H122-F169 AromaticContact CG-CD1 3.69Å; H122-F169 AromaticContact CG-CE1 3.43Å; H122-F169 VanDerWaalsContact CG-CE1 3.43Å; H122-F169 AromaticContact CG-CZ 3.9Å; H122-F169 AromaticContact ND1-CD1 3.89Å; H122-F169 AromaticContact ND1-CE1 3.68Å; H122-F169 AromaticContact NE2-CD1 3.93Å
123K98.5Very high98.7Very high64 Ų6442 Ų4228%0.27820%0.202SC..Hα-helixtrans-60.4-22.6174.4-77.1-177.3-178.1-900113.4L73 Y76 D77 L85 V119 L120L73-K123 HydrophobicContact CD2-CD 4.02Å; Y76-K123 HydrophobicContact CD1-CD 4.43Å; Y76-K123 HydrophobicContact CE1-CD 4.45Å; D77-K123 IonicContact OD1-NZ 3.59Å; D77-K123 PolarHBondContact OD1-NZ 3.22Å; D77-K123 IonicContact OD2-NZ 3.75Å; D77-K123 PolarHBondContact OD2-NZ 3.49Å; L85-K123 HydrophobicContact CD1-CB 4.23Å; L85-K123 HydrophobicContact CD1-CD 4.46Å; V119-K123 PolarHBondContact O-N 3.38Å; L120-K123 PolarHBondContact O-N 3.49Å
124M98.5Very high98.7Very high59 Ų5942 Ų4229%0.29120%0.202SC..THydrogen-bonded Turntrans-93.910.5175-64.8-176.674.900113.6L85 H89 L120 Y121 H122 N126L85-M124 HydrophobicContact CD2-CG 4.24Å; L85-M124 HydrophobicContact CG-CG 4.39Å; H89-M124 HydrophobicContact CB-SD 3.95Å; L120-M124 HydrophobicContact CD2-CG 4.5Å; L120-M124 HydrophobicContact CD2-SD 3.62Å; L120-M124 HydrophobicContact CG-SD 4.34Å; L120-M124 WeakPolarHBondContact O-CG 3.44Å; L120-M124 PolarHBondContact O-N 3.44Å; Y121-M124 CarbonylContact O-C 3.59Å; Y121-M124 PolarHBondContact O-N 3.01Å; Y121-M124 VanDerWaalsContact O-N 3.15Å; H122-M124 PolarHBondContact O-N 3.23Å; H122-M124 VanDerWaalsContact O-N 3.11Å; M124-N126 PolarHBondContact O-N 3.43Å
125N98.6Very high98.7Very high143 Ų14345.2 Ų45.277%0.76522%0.221SC*.THydrogen-bonded Turntrans56.633.6-176.5-53.9-65000113.5Y121 H122Y121-N125 PolarHBondContact O-N 3.26Å; H122-N125 PolarHBondContact O-N 2.77Å
126N98.4Very high98.7Very high48 Ų4849.8 Ų49.826%0.25724%0.239SC..  trans-110.466.3-178.8-168.9-1.2000111.3Y121 M124 K128 Q129 A130Y121-N126 HydrophobicContact CD1-CB 4.33Å; Y121-N126 WeakPolarHBondContact O-CA 3.39Å; Y121-N126 WeakPolarHBondContact O-CB 3.28Å; Y121-N126 PolarHBondContact O-N 2.96Å; M124-N126 PolarHBondContact O-N 3.43Å; N126-K128 PolarHBondContact O-N 2.78Å; N126-Q129 PolarHBondContact ND2-NE2 2.89Å; N126-Q129 PolarHBondContact ND2-OE1 3.27Å; N126-Q129 PolarHBondContact O-N 3.18Å; N126-Q129 VanDerWaalsContact OD1-CD 3.27Å; N126-Q129 PolarHBondContact OD1-OE1 3.43Å; N126-A130 PolarHBondContact O-N 3.03Å; N126-A130 VanDerWaalsContact O-N 3.1Å
127E98.3Very high98.7Very high72 Ų7249.8 Ų49.834%0.33624%0.239SC..Hα-helixtrans-60.2-31.4-173.5-60.2-53.5135.800113.2H122 Q129 A130 E131H122-E127 IonicContact CE1-OE1 3.63Å; H122-E127 IonicContact CG-OE1 2.67Å; H122-E127 IonicContact ND1-OE1 2.9Å; H122-E127 PolarHBondContact ND1-OE1 3.32Å; H122-E127 IonicContact ND1-OE2 3.15Å; E127-Q129 PolarHBondContact O-N 2.66Å; E127-A130 PolarHBondContact O-N 3.09Å; E127-E131 WeakPolarHBondContact O-CB 3.15Å; E127-E131 VanDerWaalsContact O-CG 3.31Å; E127-E131 WeakPolarHBondContact O-CG 3.45Å; E127-E131 PolarHBondContact O-N 3.13Å
128K98.6Very high98.7Very high176 Ų17651.7 Ų51.777%0.76525%0.248SC*.Hα-helixtrans-59.6-47.8178.5-179178.9-179.9179.60111.8N126 D132N126-K128 PolarHBondContact O-N 2.78Å; K128-D132 PolarHBondContact O-N 3.23Å
129Q98.6Very high98.6Very high75 Ų7556.4 Ų56.435%0.3527%0.27SS..Hα-helixtrans-74.8-31.4177.7-81.886.6-52.500111.8Y121 N126 E127 C133Y121-Q129 HydrophobicContact CD1-CB 3.97Å; Y121-Q129 HydrophobicContact CD2-CB 3.52Å; Y121-Q129 HydrophobicContact CE1-CB 4.24Å; Y121-Q129 HydrophobicContact CE1-CG 4.43Å; Y121-Q129 HydrophobicContact CE2-CB 3.8Å; Y121-Q129 HydrophobicContact CE2-CG 4.34Å; Y121-Q129 HydrophobicContact CG-CB 3.62Å; N126-Q129 PolarHBondContact ND2-NE2 2.89Å; N126-Q129 PolarHBondContact ND2-OE1 3.27Å; N126-Q129 PolarHBondContact O-N 3.18Å; N126-Q129 VanDerWaalsContact OD1-CD 3.27Å; N126-Q129 PolarHBondContact OD1-OE1 3.43Å; E127-Q129 PolarHBondContact O-N 2.66Å; Q129-C133 PolarHBondContact O-N 3.11Å; Q129-C133 VanDerWaalsContact O-N 3.14Å; Q129-C133 PolarHBondContact O-SG 3.27Å
130A98.8Very high98.6Very high0 Ų057 Ų570%027%0.273CS..Hα-helixtrans-60.9-49.9175.600000111.3H122 N126 E127 D132 C133 I134 F169H122-A130 HydrophobicContact CB-CB 4.42Å; N126-A130 PolarHBondContact O-N 3.03Å; N126-A130 VanDerWaalsContact O-N 3.1Å; E127-A130 PolarHBondContact O-N 3.09Å; A130-D132 PolarHBondContact O-N 3.15Å; A130-C133 WeakPolarHBondContact O-CB 3.34Å; A130-C133 PolarHBondContact O-N 3.29Å; A130-I134 WeakPolarHBondContact O-CG1 3.43Å; A130-I134 PolarHBondContact O-N 3.42Å; A130-F169 HydrophobicContact CB-CZ 4.18Å
131E98.7Very high98.4Very high71 Ų7158.9 Ų58.933%0.33228%0.283SS..Hα-helixtrans-68.1-33179.6-64.7-61.4165.700113.1E127 I134 T135 K173E127-E131 WeakPolarHBondContact O-CB 3.15Å; E127-E131 VanDerWaalsContact O-CG 3.31Å; E127-E131 WeakPolarHBondContact O-CG 3.45Å; E127-E131 PolarHBondContact O-N 3.13Å; E131-I134 PolarHBondContact O-N 2.87Å; E131-T135 WeakPolarHBondContact O-CB 3.31Å; E131-T135 PolarHBondContact O-N 3.06Å; E131-T135 PolarHBondContact O-OG1 3.04Å; E131-K173 IonicContact OE1-NZ 2.67Å; E131-K173 PolarHBondContact OE1-NZ 2.89Å
132D98.8Very high98.2Very high83 Ų8364.6 Ų64.644%0.44431%0.309SS..Hα-helixtrans-59.4-46.9170.8179.976.2000111.3K128 A130 I134 T135 R136K128-D132 PolarHBondContact O-N 3.23Å; A130-D132 PolarHBondContact O-N 3.15Å; D132-I134 PolarHBondContact O-N 2.96Å; D132-T135 PolarHBondContact O-N 3.33Å; D132-R136 WeakPolarHBondContact O-CD 3.19Å; D132-R136 WeakPolarHBondContact O-CG 3.13Å; D132-R136 PolarHBondContact O-N 3.43Å; D132-R136 VanDerWaalsContact O-N 3.08Å; D132-R136 WeakPolarHBondContact OD2-CD 3.48Å; D132-R136 IonicContact OD2-CZ 3.83Å; D132-R136 IonicContact OD2-NH1 2.88Å; D132-R136 PolarHBondContact OD2-NH1 3.27Å
133C98.9Very high98Very high3 Ų365.1 Ų65.12%0.0231%0.313CS..Hα-helixtrans-63.7-42.4179.1-66.50000111.5A118 Q129 A130 R136 L137A118-C133 HydrophobicContact CB-CB 3.77Å; Q129-C133 PolarHBondContact O-N 3.11Å; Q129-C133 VanDerWaalsContact O-N 3.14Å; Q129-C133 PolarHBondContact O-SG 3.27Å; A130-C133 WeakPolarHBondContact O-CB 3.34Å; A130-C133 PolarHBondContact O-N 3.29Å; C133-R136 PolarHBondContact O-N 3.33Å; C133-L137 VanDerWaalsContact O-CB 3.29Å; C133-L137 WeakPolarHBondContact O-CB 3.42Å; C133-L137 PolarHBondContact O-N 3.14Å
134I98.9Very high97.8Very high4 Ų464.7 Ų64.72%0.02131%0.314CS..Hα-helixtrans-61.5-47.1177.4-68.2165.8000110.8A118 A130 E131 D132 R136 L137 I138 V165 F169 K173 I174A118-I134 HydrophobicContact CB-CG1 3.97Å; A130-I134 WeakPolarHBondContact O-CG1 3.43Å; A130-I134 PolarHBondContact O-N 3.42Å; E131-I134 PolarHBondContact O-N 2.87Å; D132-I134 PolarHBondContact O-N 2.96Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 2.89Å; I134-L137 WeakPolarHBondContact O-CB 3.18Å; I134-L137 PolarHBondContact O-N 3.12Å; I134-I138 HydrophobicContact CG2-CD1 3.83Å; I134-I138 HydrophobicContact CG2-CG1 4.45Å; I134-I138 WeakPolarHBondContact O-CG1 3.05Å; I134-I138 PolarHBondContact O-N 3.31Å; I134-V165 HydrophobicContact CD1-CG1 4.27Å; I134-V165 HydrophobicContact CG1-CG1 4.15Å; I134-F169 HydrophobicContact CD1-CE1 4.24Å; I134-F169 HydrophobicContact CD1-CE2 4.3Å; I134-F169 HydrophobicContact CD1-CZ 3.8Å; I134-K173 HydrophobicContact CD1-CB 4.15Å; I134-K173 HydrophobicContact CD1-CD 4.37Å; I134-K173 HydrophobicContact CD1-CG 4.23Å; I134-I174 HydrophobicContact CG2-CG1 4.29Å
135T98.7Very high97.6Very high71 Ų7166.1 Ų66.144%0.43633%0.327SS..Hα-helixtrans-59.4-45.9179.9-57.40000111.2E131 D132 I138 H139E131-T135 WeakPolarHBondContact O-CB 3.31Å; E131-T135 PolarHBondContact O-N 3.06Å; E131-T135 PolarHBondContact O-OG1 3.04Å; D132-T135 PolarHBondContact O-N 3.33Å; T135-I138 PolarHBondContact O-N 3.18Å; T135-H139 PolarHBondContact O-CD2 2.98Å; T135-H139 PolarHBondContact O-N 3.37Å
136R98.8Very high97.5Very high95 Ų9567.4 Ų67.436%0.35833%0.328SS..Hα-helixtrans-65.5-38.8177.4-70.5161.960.6-168.4-0.4112.1L114 D132 C133 I134 H139 L140L114-R136 HydrophobicContact CD1-CB 4.13Å; L114-R136 HydrophobicContact CD2-CB 4.02Å; D132-R136 WeakPolarHBondContact O-CD 3.19Å; D132-R136 WeakPolarHBondContact O-CG 3.13Å; D132-R136 PolarHBondContact O-N 3.43Å; D132-R136 VanDerWaalsContact O-N 3.08Å; D132-R136 WeakPolarHBondContact OD2-CD 3.48Å; D132-R136 IonicContact OD2-CZ 3.83Å; D132-R136 IonicContact OD2-NH1 2.88Å; D132-R136 PolarHBondContact OD2-NH1 3.27Å; C133-R136 PolarHBondContact O-N 3.33Å; I134-R136 VanDerWaalsContact C-N 3.33Å; I134-R136 PolarHBondContact O-N 2.89Å; R136-H139 PolarHBondContact O-N 2.75Å; R136-L140 PolarHBondContact O-N 2.96Å
137L98.9Very high97.5Very high0 Ų065.3 Ų65.30%032%0.317CS..Hα-helixtrans-63-44.9176.7179.465.3000111.4A111 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 4.27Å; L114-L137 HydrophobicContact CB-CD1 4.36Å; A115-L137 HydrophobicContact CB-CD2 3.98Å; C133-L137 VanDerWaalsContact O-CB 3.29Å; C133-L137 WeakPolarHBondContact O-CB 3.42Å; C133-L137 PolarHBondContact O-N 3.14Å; I134-L137 WeakPolarHBondContact O-CB 3.18Å; I134-L137 PolarHBondContact O-N 3.12Å; L137-H139 VanDerWaalsContact C-N 3.32Å; L137-H139 PolarHBondContact O-N 3.33Å; L137-L140 WeakPolarHBondContact O-CB 3.21Å; L137-L140 PolarHBondContact O-N 3.39Å; L137-L140 VanDerWaalsContact O-N 3.12Å; L137-Y158 HydrophobicContact CD1-CD2 4.45Å; L137-Y158 HydrophobicContact CD1-CE2 3.85Å; L137-Y158 HydrophobicContact CG-CE2 4.37Å; L137-Y158 WeakPolarHBondContact O-CE2 3.25Å; L137-Y158 PolarHBondContact O-OH 2.84Å; L137-A161 HydrophobicContact CD1-CB 4.2Å; L137-L162 HydrophobicContact CD2-CD2 4.09Å; L137-L162 HydrophobicContact CG-CD2 4.01Å; L137-V165 HydrophobicContact CD2-CG2 3.88Å; L137-I174 HydrophobicContact CD2-CD1 4.01Å
138I98.6Very high97.5Very high40 Ų4063.4 Ų63.421%0.20531%0.311CS..Hα-helixtrans-61.5-40178.8-70168.1000111.3I134 T135 L140 N141 Y158 I174I134-I138 HydrophobicContact CG2-CD1 3.83Å; I134-I138 HydrophobicContact CG2-CG1 4.45Å; I134-I138 WeakPolarHBondContact O-CG1 3.05Å; I134-I138 PolarHBondContact O-N 3.31Å; T135-I138 PolarHBondContact O-N 3.18Å; I138-L140 PolarHBondContact O-N 3.36Å; I138-N141 PolarHBondContact O-OD1 2.95Å; I138-Y158 PolarHBondContact O-OH 3.46Å; I138-I174 HydrophobicContact CG1-CG1 4.5Å
139H98Very high97.6Very high100 Ų10055.5 Ų55.546%0.46328%0.278SS..Hα-helixtrans-76-8.3178.7-67-33.2000114.4T135 R136 L137 N141 K142T135-H139 PolarHBondContact O-CD2 2.98Å; T135-H139 PolarHBondContact O-N 3.37Å; R136-H139 PolarHBondContact O-N 2.75Å; L137-H139 VanDerWaalsContact C-N 3.32Å; L137-H139 PolarHBondContact O-N 3.33Å; H139-N141 PolarHBondContact O-N 3.24Å; H139-K142 PolarHBondContact O-N 3.38Å
140L98Very high97.6Very high11 Ų1152 Ų526%0.05826%0.261CS..G310 helixtrans-68.6-31-173.6-162.373.3000113.2I104 D110 A111 R136 L137 I138 K142 I143 Y158I104-L140 HydrophobicContact CB-CD2 4.49Å; I104-L140 HydrophobicContact CG2-CG 4.4Å; I104-L140 WeakPolarHBondContact CG2-O 3.48Å; D110-L140 HydrophobicContact CB-CD1 3.8Å; D110-L140 HydrophobicContact CB-CD2 3.94Å; A111-L140 HydrophobicContact CB-CD2 3.68Å; A111-L140 VanDerWaalsContact N-CD2 3.35Å; R136-L140 PolarHBondContact O-N 2.96Å; L137-L140 WeakPolarHBondContact O-CB 3.21Å; L137-L140 PolarHBondContact O-N 3.39Å; L137-L140 VanDerWaalsContact O-N 3.12Å; I138-L140 PolarHBondContact O-N 3.36Å; L140-K142 PolarHBondContact O-N 2.9Å; L140-I143 HydrophobicContact CD1-CD1 3.82Å; L140-I143 HydrophobicContact CG-CD1 4Å; L140-I143 VanDerWaalsContact O-CG1 3.26Å; L140-I143 WeakPolarHBondContact O-CG1 3.48Å; L140-I143 PolarHBondContact O-N 3.43Å; L140-I143 VanDerWaalsContact O-N 3.15Å; L140-Y158 HydrophobicContact CB-CE2 4.15Å; L140-Y158 HydrophobicContact CD2-CE2 4.43Å
141N93.9Very high97.6Very high40 Ų4052.1 Ų52.121%0.21426%0.262CS..G310 helixtrans-59.4-21.517965.3-10.4000114I138 H139 I143 Y158 H178I138-N141 PolarHBondContact O-OD1 2.95Å; H139-N141 PolarHBondContact O-N 3.24Å; N141-I143 VanDerWaalsContact C-N 3.28Å; N141-I143 PolarHBondContact O-N 3.23Å; N141-Y158 HydrophobicContact CB-CD1 4.28Å; N141-Y158 HydrophobicContact CB-CE1 3.64Å; N141-H178 PolarHBondContact ND2-NE2 3.07Å
142K94.8Very high97.6Very high146 Ų14649 Ų4964%0.63525%0.247SC*.G310 helixtrans-73.3-17.4-179-60.2-179.3-177.7175.60113.5H139 L140 D144H139-K142 PolarHBondContact O-N 3.38Å; L140-K142 PolarHBondContact O-N 2.9Å; K142-D144 VanDerWaalsContact C-N 3.29Å; K142-D144 PolarHBondContact O-N 3.37Å
143I95.1Very high97.6Very high66 Ų6649.5 Ų49.534%0.33824%0.244SC..G310 helixtrans-73.1-24.5-17676.7-171.5000112.5I104 L140 N141I104-I143 HydrophobicContact CG2-CD1 3.66Å; I104-I143 HydrophobicContact CG2-CG1 3.55Å; L140-I143 HydrophobicContact CD1-CD1 3.82Å; L140-I143 HydrophobicContact CG-CD1 4Å; L140-I143 VanDerWaalsContact O-CG1 3.26Å; L140-I143 WeakPolarHBondContact O-CG1 3.48Å; L140-I143 PolarHBondContact O-N 3.43Å; L140-I143 VanDerWaalsContact O-N 3.15Å; N141-I143 VanDerWaalsContact C-N 3.28Å; N141-I143 PolarHBondContact O-N 3.23Å
144D95.3Very high97.6Very high56 Ų5649.4 Ų49.430%0.29924%0.243SC..  trans-141.286176.9-172.61.2000111.5K142 H146 A147K142-D144 VanDerWaalsContact C-N 3.29Å; K142-D144 PolarHBondContact O-N 3.37Å; D144-H146 PolarHBondContact O-N 3.14Å; D144-H146 VanDerWaalsContact OD1-C 3.29Å; D144-H146 PolarHBondContact OD1-N 2.89Å; D144-A147 HydrophobicContact CB-CB 4.17Å; D144-A147 VanDerWaalsContact CG-N 3.34Å; D144-A147 WeakPolarHBondContact O-CB 3.25Å; D144-A147 PolarHBondContact O-N 3.36Å; D144-A147 PolarHBondContact OD1-N 2.99Å; D144-A147 VanDerWaalsContact OD2-CA 3.27Å; D144-A147 WeakPolarHBondContact OD2-CA 3.41Å
145P94.1Very high97.6Very high88 Ų8850.6 Ų50.657%0.57125%0.247SC*.THydrogen-bonded Turntrans-61.6-23176-22.434.1000113.5R155P145-R155 PolarHBondContact O-NH2 3Å
146H96.4Very high97.6Very high171 Ų17147.2 Ų47.279%0.79223%0.226SC*.THydrogen-bonded Turntrans-106.616.9-175-60.9-52.8000113D144D144-H146 PolarHBondContact O-N 3.14Å; D144-H146 VanDerWaalsContact OD1-C 3.29Å; D144-H146 PolarHBondContact OD1-N 2.89Å
147A98.2Very high97.6Very high3 Ų342.7 Ų42.73%0.02521%0.21CC..  trans-49.4150.2178.900000112.2I104 D144 R155I104-A147 HydrophobicContact CD1-CB 3.75Å; D144-A147 HydrophobicContact CB-CB 4.17Å; D144-A147 VanDerWaalsContact CG-N 3.34Å; D144-A147 WeakPolarHBondContact O-CB 3.25Å; D144-A147 PolarHBondContact O-N 3.36Å; D144-A147 PolarHBondContact OD1-N 2.99Å; D144-A147 VanDerWaalsContact OD2-CA 3.27Å; D144-A147 WeakPolarHBondContact OD2-CA 3.41Å; A147-R155 PolarHBondContact O-NH1 3.28Å; A147-R155 PolarHBondContact O-NH2 3.11Å; A147-R155 VanDerWaalsContact O-NH2 3.14Å
148P98.6Very high97.6Very high32 Ų3242.8 Ų42.821%0.20821%0.21CC..  trans-65.2-178.3171.128.5-32.7000111G154 R155P148-G154 VanDerWaalsContact C-CA 3.42Å; P148-G154 CarbonylContact O-C 3.58Å; P148-G154 WeakPolarHBondContact O-CA 3.48Å; P148-R155 PolarHBondContact O-N 3.4Å
149N98.9Very high97.6Very high11 Ų1140.9 Ų40.96%0.05920%0.2CC..SBendtrans-107.6-11-175.6-67.7-60.3000114.2R155 I156 I186 S189 Y207 I224N149-R155 PolarHBondContact OD1-NH1 3.22Å; N149-I156 VanDerWaalsContact O-CG1 3.25Å; N149-I156 WeakPolarHBondContact O-CG1 3.47Å; N149-I156 WeakPolarHBondContact O-CG2 3.34Å; N149-I156 PolarHBondContact O-N 3.13Å; N149-I186 HydrophobicContact CB-CG2 4.36Å; N149-S189 PolarHBondContact ND2-OG 3.08Å; N149-Y207 HydrophobicContact CB-CD1 3.78Å; N149-Y207 HydrophobicContact CB-CE1 4.13Å; N149-Y207 WeakPolarHBondContact ND2-CD1 3.45Å; N149-I224 HydrophobicContact CB-CD1 3.79Å; N149-I224 HydrophobicContact CB-CG1 4.41Å
150E98.8Very high97.7Very high2 Ų237 Ų371%0.00918%0.182CC..SBendtrans-83.6-178.4-171.656.764.9-110.700115L152 Y153 G154 I156 W209 H219 I224E150-L152 PolarHBondContact OE2-N 3.25Å; E150-Y153 VanDerWaalsContact OE1-CA 3.23Å; E150-Y153 WeakPolarHBondContact OE1-CA 3.47Å; E150-Y153 WeakPolarHBondContact OE1-CB 3.04Å; E150-Y153 PolarHBondContact OE1-N 3.24Å; E150-G154 CarbonylContact O-C 3.09Å; E150-G154 VanDerWaalsContact O-C 3.24Å; E150-G154 WeakPolarHBondContact O-CA 3.41Å; E150-G154 PolarHBondContact O-N 3.07Å; E150-G154 PolarHBondContact OE1-N 3.04Å; E150-I156 VanDerWaalsContact C-CG1 3.43Å; E150-I156 WeakPolarHBondContact O-CG1 3.45Å; E150-W209 HydrophobicContact CG-CB 3.87Å; E150-W209 HydrophobicContact CG-CG 3.89Å; E150-H219 VanDerWaalsContact CB-O 3.23Å; E150-H219 WeakPolarHBondContact CB-O 3.23Å; E150-H219 HydrophobicContact CG-CB 4.33Å; E150-H219 WeakPolarHBondContact CG-O 3.16Å; E150-H219 IonicContact OE2-CE1 2.95Å; E150-H219 IonicContact OE2-CG 3.83Å; E150-H219 IonicContact OE2-ND1 3.78Å; E150-H219 PolarHBondContact OE2-ND1 2.9Å; E150-I224 HydrophobicContact CB-CD1 4.47Å
151M98.9Very high97.7Very high1 Ų136.5 Ų36.51%0.00518%0.179CC..THydrogen-bonded Turntrans-73.9-40.6-168-76.8-63.3-52.900114L107 I156 G157 A217 A218 Y227 A396 F397L107-M151 HydrophobicContact CD1-CE 4.43Å; M151-I156 HydrophobicContact CB-CD1 4.45Å; M151-I156 HydrophobicContact CB-CG1 4.5Å; M151-I156 HydrophobicContact CG-CD1 3.66Å; M151-I156 HydrophobicContact CG-CG1 4.03Å; M151-I156 HydrophobicContact SD-CB 4.28Å; M151-I156 HydrophobicContact SD-CD1 3.57Å; M151-I156 VanDerWaalsContact SD-CD1 3.57Å; M151-I156 HydrophobicContact SD-CG1 3.53Å; M151-I156 VanDerWaalsContact SD-CG1 3.53Å; M151-G157 WeakPolarHBondContact O-CA 3.42Å; M151-A217 WeakPolarHBondContact CG-O 3.38Å; M151-A218 VanDerWaalsContact CB-O 3.26Å; M151-A218 WeakPolarHBondContact CB-O 2.96Å; M151-A218 PolarHBondContact N-O 2.91Å; M151-Y227 HydrophobicContact CE-CE2 4.33Å; M151-Y227 HydrophobicContact SD-CD2 4.1Å; M151-Y227 HydrophobicContact SD-CE2 3.45Å; M151-Y227 WeakPolarHBondContact SD-CE2 3.34Å; M151-A396 WeakPolarHBondContact CE-O 3.48Å; M151-F397 HydrophobicContact CE-CD2 3.83Å; M151-F397 HydrophobicContact CG-CD2 3.77Å; M151-F397 HydrophobicContact CG-CE2 3.84Å; M151-F397 HydrophobicContact SD-CD2 3.68Å; M151-F397 HydrophobicContact SD-CE2 3.97Å
152L98.8Very high98Very high7 Ų734.6 Ų34.64%0.03717%0.169CC..THydrogen-bonded Turntrans-80.3-33-168.4-61.1-157.4000111.9Y62 T105 L107 C108 E150 A218 H219 W275Y62-L152 HydrophobicContact CD2-CD2 4.32Å; Y62-L152 HydrophobicContact CE2-CD1 4.21Å; Y62-L152 HydrophobicContact CE2-CD2 4.46Å; T105-L152 WeakPolarHBondContact CB-O 3.39Å; T105-L152 WeakPolarHBondContact CG2-O 3.48Å; T105-L152 PolarHBondContact OG1-O 3.24Å; L107-L152 HydrophobicContact CB-CD2 4.17Å; L107-L152 HydrophobicContact CD1-CD2 3.4Å; L107-L152 HydrophobicContact CG-CD2 4.39Å; C108-L152 VanDerWaalsContact CB-O 3.29Å; C108-L152 WeakPolarHBondContact CB-O 3.32Å; E150-L152 PolarHBondContact OE2-N 3.25Å; L152-A218 HydrophobicContact CD1-CB 4.39Å; L152-A218 HydrophobicContact CG-CB 4.22Å; L152-H219 VanDerWaalsContact CD1-CE1 3.44Å; L152-H219 WeakPolarHBondContact CD1-CE1 3.35Å; L152-W275 HydrophobicContact CD2-CH2 4.2Å; L152-W275 HydrophobicContact CD2-CZ3 4.45Å
153Y98.9Very high98.1Very high93 Ų9328.5 Ų28.537%0.36514%0.143SC..THydrogen-bonded Turntrans-132.1-7-176-56.5-74.3000114.1C108 E150 W209 H219C108-Y153 HydrophobicContact CB-CD1 3.92Å; C108-Y153 HydrophobicContact CB-CE1 3.48Å; C108-Y153 VanDerWaalsContact CB-CE1 3.48Å; E150-Y153 VanDerWaalsContact OE1-CA 3.23Å; E150-Y153 WeakPolarHBondContact OE1-CA 3.47Å; E150-Y153 WeakPolarHBondContact OE1-CB 3.04Å; E150-Y153 PolarHBondContact OE1-N 3.24Å; Y153-W209 AromaticContact CD2-CE2 3.93Å; Y153-W209 AromaticContact CD2-CZ2 3.7Å; Y153-W209 HydrophobicContact CD2-CZ2 3.7Å; Y153-W209 AromaticContact CD2-NE1 3.92Å; Y153-W209 HydrophobicContact CE2-CH2 4.38Å; Y153-W209 AromaticContact CE2-CZ2 3.78Å; Y153-W209 HydrophobicContact CE2-CZ2 3.78Å; Y153-H219 AromaticContact CE2-CE1 3.95Å
154G98.8Very high98.3Very high0 Ų026.3 Ų26.30%013%0.131CC..SBendtrans-105.3-174.2-171.100000116.7T105 P148 E150 I156 G157 Y158T105-G154 VanDerWaalsContact CG2-O 3.23Å; T105-G154 WeakPolarHBondContact CG2-O 3.41Å; P148-G154 VanDerWaalsContact C-CA 3.42Å; P148-G154 CarbonylContact O-C 3.58Å; P148-G154 WeakPolarHBondContact O-CA 3.48Å; E150-G154 CarbonylContact O-C 3.09Å; E150-G154 VanDerWaalsContact O-C 3.24Å; E150-G154 WeakPolarHBondContact O-CA 3.41Å; E150-G154 PolarHBondContact O-N 3.07Å; E150-G154 PolarHBondContact OE1-N 3.04Å; G154-I156 PolarHBondContact O-N 3.47Å; G154-G157 PolarHBondContact O-N 3.18Å; G154-G157 VanDerWaalsContact O-N 3.11Å; G154-Y158 PolarHBondContact O-N 3.2Å
155R98.9Very high98.5Very high29 Ų2923.7 Ų23.711%0.10912%0.117CC..Hα-helixtrans-60.5-37.3-172.9-65.4-176.6-17678.810.6113.6P145 A147 P148 N149 G157 Y158 I159 I182 I186P145-R155 PolarHBondContact O-NH2 3Å; A147-R155 PolarHBondContact O-NH1 3.28Å; A147-R155 PolarHBondContact O-NH2 3.11Å; A147-R155 VanDerWaalsContact O-NH2 3.14Å; P148-R155 PolarHBondContact O-N 3.4Å; N149-R155 PolarHBondContact OD1-NH1 3.22Å; R155-G157 VanDerWaalsContact C-N 3.31Å; R155-G157 PolarHBondContact O-N 3.48Å; R155-Y158 WeakPolarHBondContact O-CB 3.27Å; R155-Y158 PolarHBondContact O-N 3.42Å; R155-I159 WeakPolarHBondContact O-CG1 3.2Å; R155-I159 PolarHBondContact O-N 3.25Å; R155-I182 HydrophobicContact CB-CG2 3.97Å; R155-I182 HydrophobicContact CG-CG2 4.31Å; R155-I186 HydrophobicContact CB-CD1 3.58Å; R155-I186 HydrophobicContact CB-CG1 3.62Å; R155-I186 HydrophobicContact CG-CG1 4.21Å
156I98.9Very high98.7Very high0 Ų020.5 Ų20.50%010%0.095CC..Hα-helixtrans-68.5-32.1177.268-178.9000112.1N149 E150 M151 G154 Y158 I159 Y160 I186 I224 Y227N149-I156 VanDerWaalsContact O-CG1 3.25Å; N149-I156 WeakPolarHBondContact O-CG1 3.47Å; N149-I156 WeakPolarHBondContact O-CG2 3.34Å; N149-I156 PolarHBondContact O-N 3.13Å; E150-I156 VanDerWaalsContact C-CG1 3.43Å; E150-I156 WeakPolarHBondContact O-CG1 3.45Å; M151-I156 HydrophobicContact CB-CD1 4.45Å; M151-I156 HydrophobicContact CB-CG1 4.5Å; M151-I156 HydrophobicContact CG-CD1 3.66Å; M151-I156 HydrophobicContact CG-CG1 4.03Å; M151-I156 HydrophobicContact SD-CB 4.28Å; M151-I156 HydrophobicContact SD-CD1 3.57Å; M151-I156 VanDerWaalsContact SD-CD1 3.57Å; M151-I156 HydrophobicContact SD-CG1 3.53Å; M151-I156 VanDerWaalsContact SD-CG1 3.53Å; G154-I156 PolarHBondContact O-N 3.47Å; I156-Y158 VanDerWaalsContact C-N 3.27Å; I156-Y158 PolarHBondContact O-N 2.94Å; I156-I159 PolarHBondContact O-N 3.2Å; I156-Y160 PolarHBondContact O-N 3.38Å; I156-I186 HydrophobicContact CG2-CD1 3.88Å; I156-I224 HydrophobicContact CD1-CB 4.38Å; I156-I224 HydrophobicContact CD1-CG1 3.79Å; I156-Y227 HydrophobicContact CB-CD1 4.11Å; I156-Y227 HydrophobicContact CB-CD2 4.36Å; I156-Y227 HydrophobicContact CB-CG 3.97Å; I156-Y227 HydrophobicContact CD1-CD2 4.29Å; I156-Y227 HydrophobicContact CG2-CG 4.18Å
157G98.9Very high98.8Very high1 Ų117.9 Ų17.91%0.018%0.081CC..Hα-helixtrans-65-30.7173.200000113.2F106 M151 G154 R155F106-G157 PolarHBondContact N-O 2.85Å; M151-G157 WeakPolarHBondContact O-CA 3.42Å; G154-G157 PolarHBondContact O-N 3.18Å; G154-G157 VanDerWaalsContact O-N 3.11Å; R155-G157 VanDerWaalsContact C-N 3.31Å; R155-G157 PolarHBondContact O-N 3.48Å
158Y98.9Very high98.8Very high2 Ų220.2 Ų20.21%0.0089%0.094CC..Hα-helixtrans-75.7-43.2169.8177.6-119.5000111.8I104 A111 L137 I138 L140 N141 G154 R155 I156 Y160 A161 L162 H178 I182I104-Y158 HydrophobicContact CB-CD2 4.44Å; I104-Y158 HydrophobicContact CB-CG 4.49Å; I104-Y158 HydrophobicContact CD1-CG 4.48Å; I104-Y158 WeakPolarHBondContact O-CB 3.41Å; I104-Y158 WeakPolarHBondContact O-CD2 3.26Å; A111-Y158 HydrophobicContact CB-CD2 4.04Å; A111-Y158 HydrophobicContact CB-CE2 4.48Å; L137-Y158 HydrophobicContact CD1-CD2 4.45Å; L137-Y158 HydrophobicContact CD1-CE2 3.85Å; L137-Y158 HydrophobicContact CG-CE2 4.37Å; L137-Y158 WeakPolarHBondContact O-CE2 3.25Å; L137-Y158 PolarHBondContact O-OH 2.84Å; I138-Y158 PolarHBondContact O-OH 3.46Å; L140-Y158 HydrophobicContact CB-CE2 4.15Å; L140-Y158 HydrophobicContact CD2-CE2 4.43Å; N141-Y158 HydrophobicContact CB-CD1 4.28Å; N141-Y158 HydrophobicContact CB-CE1 3.64Å; G154-Y158 PolarHBondContact O-N 3.2Å; R155-Y158 WeakPolarHBondContact O-CB 3.27Å; R155-Y158 PolarHBondContact O-N 3.42Å; I156-Y158 VanDerWaalsContact C-N 3.27Å; I156-Y158 PolarHBondContact O-N 2.94Å; Y158-Y160 VanDerWaalsContact C-N 3.25Å; Y158-Y160 PolarHBondContact O-N 3.43Å; Y158-A161 VanDerWaalsContact O-CB 3.28Å; Y158-A161 WeakPolarHBondContact O-CB 3.41Å; Y158-A161 PolarHBondContact O-N 2.97Å; Y158-L162 HydrophobicContact CD1-CD1 4.2Å; Y158-L162 HydrophobicContact CE1-CD1 3.82Å; Y158-L162 HydrophobicContact CE1-CD2 4.11Å; Y158-L162 HydrophobicContact CE1-CG 4.24Å; Y158-L162 HydrophobicContact CE2-CD2 3.92Å; Y158-L162 PolarHBondContact O-N 3.24Å; Y158-H178 PolarHBondContact OH-CE1 3.38Å; Y158-I182 HydrophobicContact CD1-CD1 3.82Å; Y158-I182 HydrophobicContact CE1-CD1 3.51Å
159I98.9Very high98.8Very high0 Ų019.6 Ų19.60%09%0.088CC..Hα-helixtrans-55.3-41.8175.4-72.9172.6000111.1R155 I156 A161 L162 L163 I179 I182 I186 Y227 L233R155-I159 WeakPolarHBondContact O-CG1 3.2Å; R155-I159 PolarHBondContact O-N 3.25Å; I156-I159 PolarHBondContact O-N 3.2Å; I159-A161 VanDerWaalsContact C-N 3.28Å; I159-A161 PolarHBondContact O-N 3.06Å; I159-L162 WeakPolarHBondContact O-CB 3.42Å; I159-L162 PolarHBondContact O-N 3.34Å; I159-L162 VanDerWaalsContact O-N 3.07Å; I159-L163 HydrophobicContact CG2-CD1 3.78Å; I159-L163 HydrophobicContact CG2-CG 4.14Å; I159-L163 WeakPolarHBondContact O-CG 3.5Å; I159-L163 PolarHBondContact O-N 2.92Å; I159-I179 HydrophobicContact CG2-CG2 4.5Å; I159-I182 HydrophobicContact CD1-CG2 4.02Å; I159-I182 HydrophobicContact CG1-CG2 4.06Å; I159-I186 HydrophobicContact CD1-CD1 3.68Å; I159-Y227 HydrophobicContact CG2-CD1 4.08Å; I159-Y227 HydrophobicContact CG2-CE1 4.3Å; I159-L233 HydrophobicContact CD1-CD2 4.03Å; I159-L233 HydrophobicContact CG2-CD1 3.91Å; I159-L233 HydrophobicContact CG2-CG 4.48Å
160Y98.9Very high98.7Very high18 Ų1822.2 Ų22.27%0.07112%0.118CC..Hα-helixtrans-55.3-44.4174.8178.3-89000111.7F106 I156 Y158 L162 L163 F164 Y227 A396 L399F106-Y160 HydrophobicContact CB-CD1 3.74Å; F106-Y160 HydrophobicContact CB-CE1 4.45Å; F106-Y160 AromaticContact CD1-CD1 3.86Å; F106-Y160 HydrophobicContact CD1-CD1 3.86Å; F106-Y160 AromaticContact CD1-CE1 3.72Å; F106-Y160 HydrophobicContact CD1-CE1 3.72Å; F106-Y160 AromaticContact CD2-CD1 3.87Å; F106-Y160 HydrophobicContact CD2-CD1 3.87Å; F106-Y160 AromaticContact CD2-CE1 3.92Å; F106-Y160 HydrophobicContact CD2-CE1 3.92Å; F106-Y160 HydrophobicContact CE1-CD1 4.42Å; F106-Y160 AromaticContact CE1-CE1 3.83Å; F106-Y160 HydrophobicContact CE1-CE1 3.83Å; F106-Y160 HydrophobicContact CE2-CD1 4.41Å; F106-Y160 AromaticContact CE2-CE1 4Å; F106-Y160 HydrophobicContact CE2-CE1 4Å; F106-Y160 AromaticContact CG-CD1 3.54Å; F106-Y160 HydrophobicContact CG-CD1 3.54Å; F106-Y160 AromaticContact CG-CE1 3.76Å; F106-Y160 HydrophobicContact CG-CE1 3.76Å; F106-Y160 AromaticContact CZ-CE1 3.95Å; F106-Y160 HydrophobicContact CZ-CE1 3.95Å; I156-Y160 PolarHBondContact O-N 3.38Å; Y158-Y160 VanDerWaalsContact C-N 3.25Å; Y158-Y160 PolarHBondContact O-N 3.43Å; Y160-L162 VanDerWaalsContact C-N 3.26Å; Y160-L162 PolarHBondContact O-N 3.35Å; Y160-L163 PolarHBondContact O-N 3.45Å; Y160-F164 HydrophobicContact CD1-CB 4.42Å; Y160-F164 HydrophobicContact CE1-CB 3.97Å; Y160-F164 HydrophobicContact CE1-CD2 4.12Å; Y160-F164 HydrophobicContact CE1-CG 4.29Å; Y160-F164 VanDerWaalsContact O-CB 3.24Å; Y160-F164 WeakPolarHBondContact O-CB 3.21Å; Y160-F164 PolarHBondContact O-N 3.15Å; Y160-Y227 WeakPolarHBondContact CD2-OH 3.11Å; Y160-A396 HydrophobicContact CE1-CB 4.17Å; Y160-A396 WeakPolarHBondContact OH-CA 3.21Å; Y160-A396 PolarHBondContact OH-N 2.88Å; Y160-L399 HydrophobicContact CD2-CD2 3.99Å; Y160-L399 HydrophobicContact CE2-CD2 4.21Å
161A98.9Very high98.6Very high0 Ų026.2 Ų26.20%014%0.142CC..Hα-helixtrans-59.7-38.6177.900000112.3F106 A111 A115 L137 Y158 I159 V165F106-A161 HydrophobicContact CB-CB 4.03Å; F106-A161 HydrophobicContact CD2-CB 3.84Å; F106-A161 HydrophobicContact CG-CB 4.45Å; A111-A161 HydrophobicContact CB-CB 3.73Å; A115-A161 HydrophobicContact CB-CB 4.01Å; L137-A161 HydrophobicContact CD1-CB 4.2Å; Y158-A161 VanDerWaalsContact O-CB 3.28Å; Y158-A161 WeakPolarHBondContact O-CB 3.41Å; Y158-A161 PolarHBondContact O-N 2.97Å; I159-A161 VanDerWaalsContact C-N 3.28Å; I159-A161 PolarHBondContact O-N 3.06Å; A161-V165 PolarHBondContact O-N 3.41Å
162L98.9Very high98.5Very high0 Ų032 Ų320%017%0.169CC..Hα-helixtrans-67.2-46.3177.5-51.7-179.3000111.4L137 Y158 I159 Y160 F164 V165 N166 I174 I179 I182L137-L162 HydrophobicContact CD2-CD2 4.09Å; L137-L162 HydrophobicContact CG-CD2 4.01Å; Y158-L162 HydrophobicContact CD1-CD1 4.2Å; Y158-L162 HydrophobicContact CE1-CD1 3.82Å; Y158-L162 HydrophobicContact CE1-CD2 4.11Å; Y158-L162 HydrophobicContact CE1-CG 4.24Å; Y158-L162 HydrophobicContact CE2-CD2 3.92Å; Y158-L162 PolarHBondContact O-N 3.24Å; I159-L162 WeakPolarHBondContact O-CB 3.42Å; I159-L162 PolarHBondContact O-N 3.34Å; I159-L162 VanDerWaalsContact O-N 3.07Å; Y160-L162 VanDerWaalsContact C-N 3.26Å; Y160-L162 PolarHBondContact O-N 3.35Å; L162-F164 VanDerWaalsContact C-N 3.33Å; L162-F164 PolarHBondContact O-N 3.27Å; L162-V165 PolarHBondContact O-N 3Å; L162-N166 PolarHBondContact O-N 3.08Å; L162-N166 VanDerWaalsContact O-N 3.1Å; L162-I174 HydrophobicContact CB-CD1 3.88Å; L162-I174 HydrophobicContact CB-CG2 4.19Å; L162-I174 HydrophobicContact CD1-CG2 4.39Å; L162-I174 HydrophobicContact CD2-CD1 3.72Å; L162-I174 HydrophobicContact CD2-CG2 4.16Å; L162-I174 HydrophobicContact CG-CD1 4.4Å; L162-I174 HydrophobicContact CG-CG2 4.46Å; L162-I179 HydrophobicContact CB-CD1 4.28Å; L162-I179 HydrophobicContact CB-CG1 4.19Å; L162-I179 HydrophobicContact CD1-CG1 3.84Å; L162-I182 HydrophobicContact CD1-CD1 3.96Å
163L98.9Very high98.5Very high18 Ų1834.8 Ų34.89%0.09418%0.181CC..Hα-helixtrans-67.8-34.7179.1-66.4177.5000112.1I159 Y160 N166 K167 I179 L233 L399I159-L163 HydrophobicContact CG2-CD1 3.78Å; I159-L163 HydrophobicContact CG2-CG 4.14Å; I159-L163 WeakPolarHBondContact O-CG 3.5Å; I159-L163 PolarHBondContact O-N 2.92Å; Y160-L163 PolarHBondContact O-N 3.45Å; L163-N166 PolarHBondContact O-N 3.48Å; L163-K167 WeakPolarHBondContact O-CB 3.28Å; L163-K167 PolarHBondContact O-N 2.97Å; L163-I179 HydrophobicContact CD2-CD1 3.96Å; L163-L233 HydrophobicContact CD1-CD1 4.03Å; L163-L399 HydrophobicContact CB-CD2 3.84Å; L163-L399 HydrophobicContact CD1-CD1 3.55Å; L163-L399 HydrophobicContact CD1-CD2 3.77Å; L163-L399 HydrophobicContact CD1-CG 4.33Å; L163-L399 HydrophobicContact CG-CD2 4.48Å
164F98.9Very high98.5Very high21 Ų2130.4 Ų30.49%0.09216%0.163CC..Hα-helixtrans-58.7-46.6173.6178.5-93.9000111F106 A115 V116 V119 Y160 L162 N168F106-F164 HydrophobicContact CE2-CB 4.41Å; F106-F164 AromaticContact CE2-CD1 3.88Å; F106-F164 HydrophobicContact CE2-CD1 3.88Å; F106-F164 HydrophobicContact CE2-CD2 4.41Å; F106-F164 HydrophobicContact CE2-CE1 4.23Å; F106-F164 AromaticContact CE2-CG 3.97Å; F106-F164 HydrophobicContact CE2-CG 3.97Å; F106-F164 HydrophobicContact CZ-CD1 4.47Å; F106-F164 HydrophobicContact CZ-CD2 4.41Å; F106-F164 HydrophobicContact CZ-CE2 4.45Å; F106-F164 HydrophobicContact CZ-CG 4.42Å; F106-F164 HydrophobicContact CZ-CZ 4.49Å; A115-F164 HydrophobicContact CB-CD1 4.15Å; V116-F164 HydrophobicContact CG2-CE1 4.34Å; V119-F164 HydrophobicContact CB-CE1 4.05Å; V119-F164 HydrophobicContact CG2-CD1 3.98Å; V119-F164 HydrophobicContact CG2-CE1 3.63Å; V119-F164 HydrophobicContact CG2-CZ 4.48Å; Y160-F164 HydrophobicContact CD1-CB 4.42Å; Y160-F164 HydrophobicContact CE1-CB 3.97Å; Y160-F164 HydrophobicContact CE1-CD2 4.12Å; Y160-F164 HydrophobicContact CE1-CG 4.29Å; Y160-F164 VanDerWaalsContact O-CB 3.24Å; Y160-F164 WeakPolarHBondContact O-CB 3.21Å; Y160-F164 PolarHBondContact O-N 3.15Å; L162-F164 VanDerWaalsContact C-N 3.33Å; L162-F164 PolarHBondContact O-N 3.27Å; F164-N168 WeakPolarHBondContact O-CB 3.46Å; F164-N168 PolarHBondContact O-N 2.82Å; F164-N168 VanDerWaalsContact O-N 3.12Å; F164-N168 PolarHBondContact O-OD1 3.32Å
165V98.9Very high98.5Very high0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-59.7-56.5173.7171.30000110.5A115 A118 I134 L137 A161 L162 K167 N168 F169 K173 I174A115-V165 HydrophobicContact CB-CG2 3.87Å; A118-V165 HydrophobicContact CB-CG2 4.39Å; I134-V165 HydrophobicContact CD1-CG1 4.27Å; I134-V165 HydrophobicContact CG1-CG1 4.15Å; L137-V165 HydrophobicContact CD2-CG2 3.88Å; A161-V165 PolarHBondContact O-N 3.41Å; L162-V165 PolarHBondContact O-N 3Å; V165-K167 VanDerWaalsContact C-N 3.31Å; V165-K167 PolarHBondContact O-N 3.04Å; V165-N168 PolarHBondContact O-N 2.61Å; V165-F169 HydrophobicContact CG1-CD2 3.75Å; V165-F169 HydrophobicContact CG1-CE2 3.76Å; V165-F169 WeakPolarHBondContact O-CD2 3.49Å; V165-F169 PolarHBondContact O-N 2.81Å; V165-K173 HydrophobicContact CG1-CB 4.1Å; V165-I174 HydrophobicContact CB-CD1 3.72Å; V165-I174 HydrophobicContact CG1-CD1 3.87Å; V165-I174 HydrophobicContact CG1-CG1 4.23Å; V165-I174 HydrophobicContact CG2-CD1 4.17Å
166N98.8Very high98.5Very high21 Ų2133.3 Ų33.311%0.11218%0.183CC..Hα-helixtrans-57.7-42.7-176.6-77.7-0.6000112.8L162 L163 N168 G170 K173 I174L162-N166 PolarHBondContact O-N 3.08Å; L162-N166 VanDerWaalsContact O-N 3.1Å; L163-N166 PolarHBondContact O-N 3.48Å; N166-N168 PolarHBondContact O-N 2.77Å; N166-G170 PolarHBondContact O-N 3.09Å; N166-G170 VanDerWaalsContact O-N 3.11Å; N166-K173 PolarHBondContact OD1-N 3.19Å; N166-K173 VanDerWaalsContact OD1-N 3.09Å; N166-I174 PolarHBondContact ND2-O 2.89Å; N166-I174 PolarHBondContact OD1-N 3.04Å
167K98.3Very high98.4Very high116 Ų11637.2 Ų37.250%0.50421%0.211SC..Hα-helixtrans-60.6-46.1178.6-179178177.5175.70111.7L163 V165 G170 L399L163-K167 WeakPolarHBondContact O-CB 3.28Å; L163-K167 PolarHBondContact O-N 2.97Å; V165-K167 VanDerWaalsContact C-N 3.31Å; V165-K167 PolarHBondContact O-N 3.04Å; K167-G170 PolarHBondContact O-N 3.48Å; K167-L399 PolarHBondContact NZ-OXT 3.3Å
168N98.6Very high98.4Very high53 Ų5338.2 Ų38.228%0.28322%0.215SC..Hα-helixtrans-81.4-20.4-173.6-73.176.4000113.9V119 F164 V165 N166V119-N168 HydrophobicContact CB-CB 4.23Å; V119-N168 HydrophobicContact CG1-CB 3.56Å; V119-N168 HydrophobicContact CG2-CB 3.57Å; F164-N168 WeakPolarHBondContact O-CB 3.46Å; F164-N168 PolarHBondContact O-N 2.82Å; F164-N168 VanDerWaalsContact O-N 3.12Å; F164-N168 PolarHBondContact O-OD1 3.32Å; V165-N168 PolarHBondContact O-N 2.61Å; N166-N168 PolarHBondContact O-N 2.77Å
169F98.3Very high98.4Very high18 Ų1838.1 Ų38.18%0.07922%0.215CC..Hα-helixtrans-83.2-19169-81.9-103.4000112.7A118 V119 H122 A130 I134 V165 V171 K173A118-F169 HydrophobicContact CB-CE2 4.33Å; A118-F169 HydrophobicContact CB-CZ 4.49Å; V119-F169 HydrophobicContact CG2-CD2 4.22Å; V119-F169 HydrophobicContact CG2-CE2 4.01Å; H122-F169 HydrophobicContact CB-CD1 4.27Å; H122-F169 HydrophobicContact CB-CE1 3.58Å; H122-F169 HydrophobicContact CB-CE2 4.16Å; H122-F169 HydrophobicContact CB-CZ 3.54Å; H122-F169 AromaticContact CD2-CD1 3.71Å; H122-F169 AromaticContact CD2-CE1 3.93Å; H122-F169 AromaticContact CG-CD1 3.69Å; H122-F169 AromaticContact CG-CE1 3.43Å; H122-F169 VanDerWaalsContact CG-CE1 3.43Å; H122-F169 AromaticContact CG-CZ 3.9Å; H122-F169 AromaticContact ND1-CD1 3.89Å; H122-F169 AromaticContact ND1-CE1 3.68Å; H122-F169 AromaticContact NE2-CD1 3.93Å; A130-F169 HydrophobicContact CB-CZ 4.18Å; I134-F169 HydrophobicContact CD1-CE1 4.24Å; I134-F169 HydrophobicContact CD1-CE2 4.3Å; I134-F169 HydrophobicContact CD1-CZ 3.8Å; V165-F169 HydrophobicContact CG1-CD2 3.75Å; V165-F169 HydrophobicContact CG1-CE2 3.76Å; V165-F169 WeakPolarHBondContact O-CD2 3.49Å; V165-F169 PolarHBondContact O-N 2.81Å; F169-V171 HydrophobicContact CB-CG2 4.2Å; F169-V171 PolarHBondContact O-N 2.97Å; F169-K173 HydrophobicContact CB-CG 3.86Å; F169-K173 HydrophobicContact CD1-CD 4.09Å; F169-K173 VanDerWaalsContact CD1-CE 3.44Å; F169-K173 HydrophobicContact CD1-CG 3.55Å; F169-K173 HydrophobicContact CD2-CG 4.34Å; F169-K173 HydrophobicContact CE1-CD 4.39Å; F169-K173 HydrophobicContact CE1-CG 4.09Å; F169-K173 HydrophobicContact CG-CG 3.66Å
170G96.9Very high98.3Very high67 Ų6741.7 Ų41.769%0.69123%0.231SC*.THydrogen-bonded Turntrans705.3-176.600000114.4N166 K167N166-G170 PolarHBondContact O-N 3.09Å; N166-G170 VanDerWaalsContact O-N 3.11Å; K167-G170 PolarHBondContact O-N 3.48Å
171V96.1Very high98.3Very high86 Ų8647 Ų4752%0.52126%0.257SS..SBendtrans-138.5160.8178.1-59.80000110F169 K173F169-V171 HydrophobicContact CB-CG2 4.2Å; F169-V171 PolarHBondContact O-N 2.97Å; V171-K173 VanDerWaalsContact C-N 3.35Å; V171-K173 HydrophobicContact CG2-CD 4.26Å; V171-K173 HydrophobicContact CG2-CG 4.05Å; V171-K173 PolarHBondContact O-N 2.89Å
172E97.8Very high98.3Very high123 Ų12347.7 Ų47.758%0.57526%0.26SS*.  trans-7386.2174.8-170.8-178.7141.700110.5I174 P175 Q176E172-I174 VanDerWaalsContact CG-O 3.29Å; E172-I174 WeakPolarHBondContact CG-O 3.4Å; E172-P175 WeakPolarHBondContact OE1-CA 3.47Å; E172-Q176 WeakPolarHBondContact OE1-CB 3.44Å; E172-Q176 PolarHBondContact OE1-N 3.25Å
173K98.3Very high98.3Very high65 Ų6547.8 Ų47.828%0.28326%0.261SS..  trans-79.1-35.4172.2-78.1-60.8-171.5167.30112.4E131 I134 V165 N166 F169 V171E131-K173 IonicContact OE1-NZ 2.67Å; E131-K173 PolarHBondContact OE1-NZ 2.89Å; I134-K173 HydrophobicContact CD1-CB 4.15Å; I134-K173 HydrophobicContact CD1-CD 4.37Å; I134-K173 HydrophobicContact CD1-CG 4.23Å; V165-K173 HydrophobicContact CG1-CB 4.1Å; N166-K173 PolarHBondContact OD1-N 3.19Å; N166-K173 VanDerWaalsContact OD1-N 3.09Å; F169-K173 HydrophobicContact CB-CG 3.86Å; F169-K173 HydrophobicContact CD1-CD 4.09Å; F169-K173 VanDerWaalsContact CD1-CE 3.44Å; F169-K173 HydrophobicContact CD1-CG 3.55Å; F169-K173 HydrophobicContact CD2-CG 4.34Å; F169-K173 HydrophobicContact CE1-CD 4.39Å; F169-K173 HydrophobicContact CE1-CG 4.09Å; F169-K173 HydrophobicContact CG-CG 3.66Å; V171-K173 VanDerWaalsContact C-N 3.35Å; V171-K173 HydrophobicContact CG2-CD 4.26Å; V171-K173 HydrophobicContact CG2-CG 4.05Å; V171-K173 PolarHBondContact O-N 2.89Å
174I98.6Very high98.3Very high0 Ų049.5 Ų49.50%027%0.268CS..SBendtrans-102.4120.4176.8-63.2170.1000107.5I134 L137 I138 L162 V165 N166 E172 Q176 I179I134-I174 HydrophobicContact CG2-CG1 4.29Å; L137-I174 HydrophobicContact CD2-CD1 4.01Å; I138-I174 HydrophobicContact CG1-CG1 4.5Å; L162-I174 HydrophobicContact CB-CD1 3.88Å; L162-I174 HydrophobicContact CB-CG2 4.19Å; L162-I174 HydrophobicContact CD1-CG2 4.39Å; L162-I174 HydrophobicContact CD2-CD1 3.72Å; L162-I174 HydrophobicContact CD2-CG2 4.16Å; L162-I174 HydrophobicContact CG-CD1 4.4Å; L162-I174 HydrophobicContact CG-CG2 4.46Å; V165-I174 HydrophobicContact CB-CD1 3.72Å; V165-I174 HydrophobicContact CG1-CD1 3.87Å; V165-I174 HydrophobicContact CG1-CG1 4.23Å; V165-I174 HydrophobicContact CG2-CD1 4.17Å; N166-I174 PolarHBondContact ND2-O 2.89Å; N166-I174 PolarHBondContact OD1-N 3.04Å; E172-I174 VanDerWaalsContact CG-O 3.29Å; E172-I174 WeakPolarHBondContact CG-O 3.4Å; I174-Q176 PolarHBondContact O-N 2.97Å; I174-I179 HydrophobicContact CG2-CD1 4.48Å; I174-I179 HydrophobicContact CG2-CG1 4.36Å
175P98.5Very high98.3Very high56 Ų5651.5 Ų51.536%0.36428%0.283SS..  trans-55.9134.3-175.5-27.434.5000112.8E172 S177 H178 I179E172-P175 WeakPolarHBondContact OE1-CA 3.47Å; P175-S177 PolarHBondContact O-N 3.04Å; P175-H178 HydrophobicContact CB-CB 4.47Å; P175-H178 VanDerWaalsContact O-CB 3.3Å; P175-H178 WeakPolarHBondContact O-CB 3.24Å; P175-H178 PolarHBondContact O-N 3.17Å; P175-I179 PolarHBondContact O-N 2.89Å
176Q98.4Very high98.2Very high34 Ų3451.5 Ų51.516%0.15928%0.283CS..Hα-helixtrans-58.6-35.1178.5-176.758.732.900112E172 I174 H178 I179 Q180 S232 Q234E172-Q176 WeakPolarHBondContact OE1-CB 3.44Å; E172-Q176 PolarHBondContact OE1-N 3.25Å; I174-Q176 PolarHBondContact O-N 2.97Å; Q176-H178 PolarHBondContact O-N 2.81Å; Q176-I179 PolarHBondContact O-N 2.89Å; Q176-Q180 WeakPolarHBondContact O-CB 3.49Å; Q176-Q180 PolarHBondContact O-N 3.47Å; Q176-S232 PolarHBondContact NE2-O 3.4Å; Q176-Q234 VanDerWaalsContact CG-OE1 3.23Å; Q176-Q234 VanDerWaalsContact NE2-CD 3.33Å; Q176-Q234 VanDerWaalsContact NE2-OE1 3.08Å
177S98.3Very high98.3Very high83 Ų8350.6 Ų50.658%0.5828%0.278SS*.Hα-helixtrans-59.3-34.9175.556.90000112.8P175 Q181P175-S177 PolarHBondContact O-N 3.04Å; S177-Q181 WeakPolarHBondContact O-CB 3.26Å; S177-Q181 PolarHBondContact O-N 3.21Å
178H98.5Very high98.3Very high22 Ų2248.2 Ų48.210%0.10227%0.273CS..Hα-helixtrans-68.3-43.8177.8-175.5-116.4000111.4N141 Y158 P175 Q176 I182N141-H178 PolarHBondContact ND2-NE2 3.07Å; Y158-H178 PolarHBondContact OH-CE1 3.38Å; P175-H178 HydrophobicContact CB-CB 4.47Å; P175-H178 VanDerWaalsContact O-CB 3.3Å; P175-H178 WeakPolarHBondContact O-CB 3.24Å; P175-H178 PolarHBondContact O-N 3.17Å; Q176-H178 PolarHBondContact O-N 2.81Å; H178-I182 WeakPolarHBondContact O-CD1 3.47Å; H178-I182 WeakPolarHBondContact O-CG1 3.29Å; H178-I182 PolarHBondContact O-N 3.22Å
179I98.7Very high98.3Very high0 Ų047.7 Ų47.70%027%0.274CS..Hα-helixtrans-63.7-46.1176.3-63.1170000110.1I159 L162 L163 I174 P175 Q176 Q181 I182 C183 L233I159-I179 HydrophobicContact CG2-CG2 4.5Å; L162-I179 HydrophobicContact CB-CD1 4.28Å; L162-I179 HydrophobicContact CB-CG1 4.19Å; L162-I179 HydrophobicContact CD1-CG1 3.84Å; L163-I179 HydrophobicContact CD2-CD1 3.96Å; I174-I179 HydrophobicContact CG2-CD1 4.48Å; I174-I179 HydrophobicContact CG2-CG1 4.36Å; P175-I179 PolarHBondContact O-N 2.89Å; Q176-I179 PolarHBondContact O-N 2.89Å; I179-Q181 PolarHBondContact O-N 3.35Å; I179-I182 PolarHBondContact O-N 3.17Å; I179-C183 PolarHBondContact O-N 3.37Å; I179-L233 HydrophobicContact CG2-CD1 4.49Å; I179-L233 HydrophobicContact CG2-CG 4.43Å
180Q97.9Very high98.3Very high74 Ų7446.9 Ų46.935%0.34627%0.27SS..Hα-helixtrans-62.6-40.7-179.3-169.7178.91400112.3Q176 I182 C183 E184Q176-Q180 WeakPolarHBondContact O-CB 3.49Å; Q176-Q180 PolarHBondContact O-N 3.47Å; Q180-I182 VanDerWaalsContact C-N 3.3Å; Q180-I182 PolarHBondContact O-N 3.2Å; Q180-C183 WeakPolarHBondContact O-CB 3.05Å; Q180-C183 PolarHBondContact O-N 3.43Å; Q180-E184 WeakPolarHBondContact O-CG 3.43Å; Q180-E184 PolarHBondContact O-N 3.18Å
181Q98.1Very high98.4Very high131 Ų13146.9 Ų46.961%0.61225%0.252SS*.Hα-helixtrans-60.2-40.4177.4-177.5-178.2-10.800112.3S177 I179 T185S177-Q181 WeakPolarHBondContact O-CB 3.26Å; S177-Q181 PolarHBondContact O-N 3.21Å; I179-Q181 PolarHBondContact O-N 3.35Å; Q181-T185 PolarHBondContact O-N 3.28Å; Q181-T185 PolarHBondContact O-OG1 3.03Å
182I98.6Very high98.5Very high13 Ų1345.6 Ų45.67%0.06724%0.242CC..Hα-helixtrans-68.7-41.8177.3-61.2158.2000109.9R155 Y158 I159 L162 H178 I179 Q180 E184 T185 I186R155-I182 HydrophobicContact CB-CG2 3.97Å; R155-I182 HydrophobicContact CG-CG2 4.31Å; Y158-I182 HydrophobicContact CD1-CD1 3.82Å; Y158-I182 HydrophobicContact CE1-CD1 3.51Å; I159-I182 HydrophobicContact CD1-CG2 4.02Å; I159-I182 HydrophobicContact CG1-CG2 4.06Å; L162-I182 HydrophobicContact CD1-CD1 3.96Å; H178-I182 WeakPolarHBondContact O-CD1 3.47Å; H178-I182 WeakPolarHBondContact O-CG1 3.29Å; H178-I182 PolarHBondContact O-N 3.22Å; I179-I182 PolarHBondContact O-N 3.17Å; Q180-I182 VanDerWaalsContact C-N 3.3Å; Q180-I182 PolarHBondContact O-N 3.2Å; I182-E184 PolarHBondContact O-N 3.46Å; I182-T185 WeakPolarHBondContact O-CB 3.35Å; I182-T185 PolarHBondContact O-N 3.13Å; I182-T185 VanDerWaalsContact O-N 3.16Å; I182-I186 HydrophobicContact CG2-CD1 4.43Å; I182-I186 WeakPolarHBondContact O-CG1 3.36Å; I182-I186 PolarHBondContact O-N 3Å
183C98.7Very high98.6Very high2 Ų240.9 Ų40.91%0.01422%0.221CC..Hα-helixtrans-57.9-45.5175-175.80000112.4I179 Q180 T185 I186 L187 L233I179-C183 PolarHBondContact O-N 3.37Å; Q180-C183 WeakPolarHBondContact O-CB 3.05Å; Q180-C183 PolarHBondContact O-N 3.43Å; C183-T185 VanDerWaalsContact C-N 3.26Å; C183-T185 PolarHBondContact O-N 2.93Å; C183-I186 WeakPolarHBondContact O-CB 3.44Å; C183-I186 PolarHBondContact O-N 2.87Å; C183-I186 VanDerWaalsContact O-N 3.12Å; C183-L187 PolarHBondContact O-N 3Å; C183-L233 HydrophobicContact CB-CD2 4.31Å; C183-L233 HydrophobicContact CB-CG 4.44Å
184E98.6Very high98.6Very high54 Ų5437.8 Ų37.825%0.25221%0.207SC..Hα-helixtrans-62.5-34.2177-73.5-64.316900112.5Q180 I182 L187 T188 K239Q180-E184 WeakPolarHBondContact O-CG 3.43Å; Q180-E184 PolarHBondContact O-N 3.18Å; I182-E184 PolarHBondContact O-N 3.46Å; E184-L187 PolarHBondContact O-N 3.03Å; E184-T188 WeakPolarHBondContact O-CB 3.35Å; E184-T188 PolarHBondContact O-N 3.49Å; E184-T188 PolarHBondContact O-OG1 2.9Å; E184-K239 IonicContact OE1-NZ 2.85Å; E184-K239 PolarHBondContact OE1-NZ 3.44Å; E184-K239 IonicContact OE2-NZ 2.65Å; E184-K239 PolarHBondContact OE2-NZ 2.91Å
185T98.7Very high98.6Very high64 Ų6444.4 Ų44.439%0.39323%0.232SC..Hα-helixtrans-65.1-41.7173.6-55.30000111.4Q181 I182 C183 S189Q181-T185 PolarHBondContact O-N 3.28Å; Q181-T185 PolarHBondContact O-OG1 3.03Å; I182-T185 WeakPolarHBondContact O-CB 3.35Å; I182-T185 PolarHBondContact O-N 3.13Å; I182-T185 VanDerWaalsContact O-N 3.16Å; C183-T185 VanDerWaalsContact C-N 3.26Å; C183-T185 PolarHBondContact O-N 2.93Å; T185-S189 VanDerWaalsContact O-CB 3.22Å; T185-S189 WeakPolarHBondContact O-CB 3.42Å; T185-S189 PolarHBondContact O-N 3.44Å
186I98.8Very high98.6Very high0 Ų049.2 Ų49.20%025%0.248CC..Hα-helixtrans-63.1-46.3176.4-62.8166.6000110.8N149 R155 I156 I159 I182 C183 S189 G190 Y207 I224 L228N149-I186 HydrophobicContact CB-CG2 4.36Å; R155-I186 HydrophobicContact CB-CD1 3.58Å; R155-I186 HydrophobicContact CB-CG1 3.62Å; R155-I186 HydrophobicContact CG-CG1 4.21Å; I156-I186 HydrophobicContact CG2-CD1 3.88Å; I159-I186 HydrophobicContact CD1-CD1 3.68Å; I182-I186 HydrophobicContact CG2-CD1 4.43Å; I182-I186 WeakPolarHBondContact O-CG1 3.36Å; I182-I186 PolarHBondContact O-N 3Å; C183-I186 WeakPolarHBondContact O-CB 3.44Å; C183-I186 PolarHBondContact O-N 2.87Å; C183-I186 VanDerWaalsContact O-N 3.12Å; I186-S189 PolarHBondContact O-N 3.32Å; I186-G190 PolarHBondContact O-N 2.95Å; I186-Y207 HydrophobicContact CG2-CE1 3.9Å; I186-Y207 WeakPolarHBondContact O-CE1 3.44Å; I186-Y207 PolarHBondContact O-OH 3.28Å; I186-I224 HydrophobicContact CG2-CG2 4.08Å; I186-L228 HydrophobicContact CG2-CD2 4.39Å
187L98.9Very high98.6Very high1 Ų152.7 Ų52.71%0.00526%0.259CS..Hα-helixtrans-60.5-54.5179.5-75.6166.8000111.1C183 E184 S189 G190 E191 L205 L228 V235 K239 V244C183-L187 PolarHBondContact O-N 3Å; E184-L187 PolarHBondContact O-N 3.03Å; L187-S189 VanDerWaalsContact C-N 3.28Å; L187-S189 PolarHBondContact O-N 3.19Å; L187-G190 WeakPolarHBondContact O-CA 3.49Å; L187-G190 PolarHBondContact O-N 3.1Å; L187-E191 PolarHBondContact O-N 3.26Å; L187-L205 HydrophobicContact CD2-CD1 4.09Å; L187-L228 HydrophobicContact CD2-CD1 3.96Å; L187-L228 HydrophobicContact CD2-CD2 3.94Å; L187-L228 HydrophobicContact CG-CD2 3.98Å; L187-V235 HydrophobicContact CD1-CG1 4.16Å; L187-V235 HydrophobicContact CD1-CG2 4.2Å; L187-K239 HydrophobicContact CD1-CD 4.25Å; L187-V244 HydrophobicContact CD2-CG2 4.25Å
188T98.8Very high98.6Very high67 Ų6755.9 Ų55.941%0.41127%0.27SS..Hα-helixtrans-59.6-40.1-179.8-510000111.6E184 G190 N192E184-T188 WeakPolarHBondContact O-CB 3.35Å; E184-T188 PolarHBondContact O-N 3.49Å; E184-T188 PolarHBondContact O-OG1 2.9Å; T188-G190 VanDerWaalsContact C-N 3.31Å; T188-G190 PolarHBondContact O-N 3.45Å; T188-N192 WeakPolarHBondContact O-CB 3.43Å; T188-N192 PolarHBondContact O-N 3.16Å; T188-N192 PolarHBondContact O-ND2 2.73Å; T188-N192 VanDerWaalsContact O-ND2 3.11Å
189S98.8Very high98.6Very high42 Ų4256.2 Ų56.229%0.29427%0.271SS..Hα-helixtrans-61.3-39.8174.3-177.50000112.2N149 T185 I186 L187 N192 L193N149-S189 PolarHBondContact ND2-OG 3.08Å; T185-S189 VanDerWaalsContact O-CB 3.22Å; T185-S189 WeakPolarHBondContact O-CB 3.42Å; T185-S189 PolarHBondContact O-N 3.44Å; I186-S189 PolarHBondContact O-N 3.32Å; L187-S189 VanDerWaalsContact C-N 3.28Å; L187-S189 PolarHBondContact O-N 3.19Å; S189-N192 PolarHBondContact O-N 3.14Å; S189-L193 PolarHBondContact O-N 3.15Å
190G98.9Very high98.5Very high0 Ų059.8 Ų59.80%029%0.293CS..Hα-helixtrans-67.2-45.2-178.700000112.5I186 L187 T188 N192 L193 A194 M206 Y207I186-G190 PolarHBondContact O-N 2.95Å; L187-G190 WeakPolarHBondContact O-CA 3.49Å; L187-G190 PolarHBondContact O-N 3.1Å; T188-G190 VanDerWaalsContact C-N 3.31Å; T188-G190 PolarHBondContact O-N 3.45Å; G190-N192 VanDerWaalsContact C-N 3.31Å; G190-N192 PolarHBondContact O-N 2.94Å; G190-L193 PolarHBondContact O-N 3.28Å; G190-A194 WeakPolarHBondContact O-CB 3.26Å; G190-A194 PolarHBondContact O-N 2.85Å; G190-M206 WeakPolarHBondContact CA-O 3.41Å; G190-M206 PolarHBondContact O-N 3.48Å; G190-M206 VanDerWaalsContact O-N 3.12Å; G190-Y207 VanDerWaalsContact CA-CE1 3.42Å
191E98.8Very high98.4Very high68 Ų6861.4 Ų61.432%0.31832%0.319SS..Hα-helixtrans-62.8-40.6175.2-64.6179.483.700111.4L187 A194 R195 L205 L243L187-E191 PolarHBondContact O-N 3.26Å; E191-A194 PolarHBondContact O-N 3.3Å; E191-R195 WeakPolarHBondContact O-CB 2.95Å; E191-R195 PolarHBondContact O-N 3.46Å; E191-L205 HydrophobicContact CB-CD2 4.43Å; E191-L205 HydrophobicContact CG-CD2 3.51Å; E191-L243 HydrophobicContact CG-CD1 4.23Å; E191-L243 HydrophobicContact CG-CD2 4.07Å; E191-L243 WeakPolarHBondContact OE1-CD2 3.44Å
192N98.8Very high98.4Very high58 Ų5862.4 Ų62.431%0.3132%0.321SS..Hα-helixtrans-63.2-44.8177.9-76.4-26000112.3T188 S189 G190 R195 K196T188-N192 WeakPolarHBondContact O-CB 3.43Å; T188-N192 PolarHBondContact O-N 3.16Å; T188-N192 PolarHBondContact O-ND2 2.73Å; T188-N192 VanDerWaalsContact O-ND2 3.11Å; S189-N192 PolarHBondContact O-N 3.14Å; G190-N192 VanDerWaalsContact C-N 3.31Å; G190-N192 PolarHBondContact O-N 2.94Å; N192-R195 PolarHBondContact O-N 3.16Å; N192-R195 PolarHBondContact OD1-NH1 3.01Å; N192-R195 PolarHBondContact OD1-NH2 3.1Å; N192-K196 WeakPolarHBondContact O-CB 3.46Å; N192-K196 VanDerWaalsContact O-CG 3.31Å; N192-K196 WeakPolarHBondContact O-CG 3.21Å; N192-K196 PolarHBondContact O-N 3.47Å
193L98.8Very high98.4Very high25 Ų2561.8 Ų61.813%0.13132%0.318CS..Hα-helixtrans-68.6-41.5177.7-170.867.6000111.1S189 G190 R195 K196 R197 M206 E208S189-L193 PolarHBondContact O-N 3.15Å; G190-L193 PolarHBondContact O-N 3.28Å; L193-R195 VanDerWaalsContact C-N 3.31Å; L193-R195 PolarHBondContact O-N 3.1Å; L193-K196 PolarHBondContact O-N 3.06Å; L193-R197 HydrophobicContact CD1-CG 4.04Å; L193-R197 HydrophobicContact CG-CG 4.31Å; L193-R197 WeakPolarHBondContact O-CB 3.36Å; L193-R197 WeakPolarHBondContact O-CG 3.24Å; L193-R197 PolarHBondContact O-N 2.81Å; L193-M206 HydrophobicContact CD2-CG 4.48Å; L193-E208 HydrophobicContact CD2-CB 4.06Å; L193-E208 HydrophobicContact CD2-CG 3.72Å
194A98.8Very high98.4Very high0 Ų062.7 Ų62.70%032%0.324CS..Hα-helixtrans-56.6-44.9174.900000111.9G190 E191 R197 N198 F199 P204 M206G190-A194 WeakPolarHBondContact O-CB 3.26Å; G190-A194 PolarHBondContact O-N 2.85Å; E191-A194 PolarHBondContact O-N 3.3Å; A194-R197 PolarHBondContact O-N 3.42Å; A194-N198 PolarHBondContact O-N 3.35Å; A194-N198 VanDerWaalsContact O-N 3.09Å; A194-F199 HydrophobicContact CB-CB 4.22Å; A194-F199 PolarHBondContact O-N 3.4Å; A194-P204 WeakPolarHBondContact CB-O 3.47Å; A194-M206 HydrophobicContact CB-CB 3.92Å
195R98.8Very high98.4Very high139 Ų13960.1 Ų60.153%0.52531%0.312SS..Hα-helixtrans-63.5-49.1175.6-175.5174.866.2-102.91.4112E191 N192 L193 R197 N198 T200E191-R195 WeakPolarHBondContact O-CB 2.95Å; E191-R195 PolarHBondContact O-N 3.46Å; N192-R195 PolarHBondContact O-N 3.16Å; N192-R195 PolarHBondContact OD1-NH1 3.01Å; N192-R195 PolarHBondContact OD1-NH2 3.1Å; L193-R195 VanDerWaalsContact C-N 3.31Å; L193-R195 PolarHBondContact O-N 3.1Å; R195-R197 PolarHBondContact O-N 3.41Å; R195-N198 PolarHBondContact O-N 2.85Å; R195-T200 WeakPolarHBondContact CA-OG1 3.42Å; R195-T200 PolarHBondContact N-OG1 2.98Å
196K98.6Very high98.4Very high157 Ų15757 Ų5768%0.68329%0.293SS*.Hα-helixtrans-60.8-31.2-179.2-76.5178179.8-177.30113.2N192 L193N192-K196 WeakPolarHBondContact O-CB 3.46Å; N192-K196 VanDerWaalsContact O-CG 3.31Å; N192-K196 WeakPolarHBondContact O-CG 3.21Å; N192-K196 PolarHBondContact O-N 3.47Å; L193-K196 PolarHBondContact O-N 3.06Å
197R98.3Very high98.5Very high106 Ų10657.4 Ų57.440%0.429%0.294SS..THydrogen-bonded Turntrans-103.110.7-177.1-59.7-64.7-178.97710113L193 A194 R195 F199 E208 Y213L193-R197 HydrophobicContact CD1-CG 4.04Å; L193-R197 HydrophobicContact CG-CG 4.31Å; L193-R197 WeakPolarHBondContact O-CB 3.36Å; L193-R197 WeakPolarHBondContact O-CG 3.24Å; L193-R197 PolarHBondContact O-N 2.81Å; A194-R197 PolarHBondContact O-N 3.42Å; R195-R197 PolarHBondContact O-N 3.41Å; R197-F199 VanDerWaalsContact C-N 3.28Å; R197-F199 HydrophobicContact CB-CD2 3.71Å; R197-F199 HydrophobicContact CB-CE2 4.07Å; R197-F199 PolarHBondContact O-N 3.21Å; R197-E208 IonicContact CZ-OE1 2.88Å; R197-E208 IonicContact CZ-OE2 3.95Å; R197-E208 IonicContact NH1-OE2 3.68Å; R197-E208 PolarHBondContact NH1-OE2 2.93Å; R197-E208 VanDerWaalsContact NH2-CD 3.3Å; R197-E208 IonicContact NH2-OE1 3.44Å; R197-E208 PolarHBondContact NH2-OE1 3.02Å; R197-E208 IonicContact NH2-OE2 3.57Å; R197-E208 PolarHBondContact NH2-OE2 3.26Å; R197-Y213 WeakPolarHBondContact CD-OH 3.46Å; R197-Y213 WeakPolarHBondContact CG-OH 3.41Å; R197-Y213 VanDerWaalsContact NH1-CZ 3.35Å; R197-Y213 PolarHBondContact NH1-OH 3.16Å
198N97.8Very high98.4Very high150 Ų15060.5 Ų60.580%0.80231%0.309SS*.THydrogen-bonded Turntrans56.734.9179.1-58-41.1000114.4A194 R195A194-N198 PolarHBondContact O-N 3.35Å; A194-N198 VanDerWaalsContact O-N 3.09Å; R195-N198 PolarHBondContact O-N 2.85Å
199F98.3Very high98.4Very high30 Ų3059.9 Ų59.913%0.13230%0.299CS..  trans-89-19.2175.3-85.4-79.3000114.1A194 R197 A201 K202 S203 M206 Y213 Y250 I265A194-F199 HydrophobicContact CB-CB 4.22Å; A194-F199 PolarHBondContact O-N 3.4Å; R197-F199 VanDerWaalsContact C-N 3.28Å; R197-F199 HydrophobicContact CB-CD2 3.71Å; R197-F199 HydrophobicContact CB-CE2 4.07Å; R197-F199 PolarHBondContact O-N 3.21Å; F199-A201 PolarHBondContact O-N 2.96Å; F199-K202 WeakPolarHBondContact O-CA 3.5Å; F199-K202 PolarHBondContact O-N 3.35Å; F199-S203 CarbonylContact C-O 3.43Å; F199-S203 PolarHBondContact O-N 2.75Å; F199-M206 HydrophobicContact CB-CB 4.5Å; F199-M206 HydrophobicContact CB-CE 4.4Å; F199-M206 HydrophobicContact CD1-CE 3.77Å; F199-M206 HydrophobicContact CD2-CE 4.34Å; F199-M206 HydrophobicContact CD2-CG 3.99Å; F199-M206 HydrophobicContact CE1-CE 4.07Å; F199-M206 HydrophobicContact CE2-CG 4.31Å; F199-M206 HydrophobicContact CG-CE 3.92Å; F199-M206 HydrophobicContact CG-CG 4.36Å; F199-M206 HydrophobicContact CZ-CE 4.47Å; F199-Y213 HydrophobicContact CE2-CE1 4.3Å; F199-Y213 HydrophobicContact CE2-CE2 4.17Å; F199-Y213 AromaticContact CE2-CZ 3.88Å; F199-Y213 HydrophobicContact CZ-CE2 4.42Å; F199-Y250 WeakPolarHBondContact CE1-OH 3.37Å; F199-I265 HydrophobicContact CZ-CD1 4.46Å
200T96.6Very high98.4Very high75 Ų7566.3 Ų66.346%0.4632%0.318SS..THydrogen-bonded Turntrans-50.3-33.9-167.8-45.40000114.3R195 K202 S203R195-T200 WeakPolarHBondContact CA-OG1 3.42Å; R195-T200 PolarHBondContact N-OG1 2.98Å; T200-K202 VanDerWaalsContact C-N 3.33Å; T200-K202 PolarHBondContact O-N 2.94Å; T200-S203 WeakPolarHBondContact CA-O 3.32Å
201A97.1Very high98.4Very high107 Ų10774.9 Ų74.988%0.88436%0.358SS*.THydrogen-bonded Turntrans-70-25.2177.700000114.2F199F199-A201 PolarHBondContact O-N 2.96Å
202K97.6Very high98.4Very high152 Ų15275.9 Ų75.966%0.66136%0.363SS*.THydrogen-bonded Turntrans-104-37.7179.4-63.1-176.7-179.8-178.10112.7F199 T200 Y250F199-K202 WeakPolarHBondContact O-CA 3.5Å; F199-K202 PolarHBondContact O-N 3.35Å; T200-K202 VanDerWaalsContact C-N 3.33Å; T200-K202 PolarHBondContact O-N 2.94Å; K202-Y250 HydrophobicContact CB-CD2 4.2Å; K202-Y250 HydrophobicContact CB-CE2 4.33Å
203S98.6Very high98.4Very high0 Ų075.1 Ų75.10%036%0.356CS..  trans-148112.4-178.3-176.10000109.1F199 T200 L205 S247F199-S203 CarbonylContact C-O 3.43Å; F199-S203 PolarHBondContact O-N 2.75Å; T200-S203 WeakPolarHBondContact CA-O 3.32Å; S203-L205 PolarHBondContact O-N 3.27Å; S203-L205 PolarHBondContact OG-O 3.14Å; S203-S247 WeakPolarHBondContact OG-CA 3.49Å; S203-S247 WeakPolarHBondContact OG-CB 3.4Å; S203-S247 PolarHBondContact OG-OG 2.8Å
204P98.8Very high98.4Very high21 Ų2175.7 Ų75.714%0.13636%0.357CS..SBendtrans-58.7-32.4179.1-27.535.3000114.1A194 L243 P246 S247A194-P204 WeakPolarHBondContact CB-O 3.47Å; P204-L243 HydrophobicContact CB-CD2 3.98Å; P204-P246 HydrophobicContact CG-CB 4.02Å; P204-P246 HydrophobicContact CG-CG 4.24Å; P204-S247 WeakPolarHBondContact CD-OG 3.4Å
205L98.9Very high98.4Very high0 Ų075.7 Ų75.70%036%0.357CS..  trans-108.9145.7175-58172.7000110.8L187 E191 S203 Y207 Y225 L228 L243 V244 S247L187-L205 HydrophobicContact CD2-CD1 4.09Å; E191-L205 HydrophobicContact CB-CD2 4.43Å; E191-L205 HydrophobicContact CG-CD2 3.51Å; S203-L205 PolarHBondContact O-N 3.27Å; S203-L205 PolarHBondContact OG-O 3.14Å; L205-Y207 HydrophobicContact CB-CE2 4.07Å; L205-Y225 HydrophobicContact CB-CE1 3.92Å; L205-Y225 HydrophobicContact CD1-CE1 3.96Å; L205-Y225 PolarHBondContact O-OH 3.45Å; L205-Y225 VanDerWaalsContact O-OH 3.08Å; L205-L228 HydrophobicContact CD1-CD1 4.14Å; L205-L243 HydrophobicContact CD1-CB 4.08Å; L205-L243 HydrophobicContact CD2-CB 4.36Å; L205-L243 HydrophobicContact CG-CB 4.13Å; L205-V244 HydrophobicContact CD1-CG2 4.11Å; L205-S247 WeakPolarHBondContact CB-OG 3.26Å; L205-S247 PolarHBondContact N-OG 2.94Å; L205-S247 PolarHBondContact O-OG 3.25Å
206M98.9Very high98.4Very high0 Ų069.1 Ų69.10%033%0.332CS..  trans-147.2146.9170.3-170.150.258.900110.1G190 L193 A194 F199 Y213 L221 Y250 I265G190-M206 WeakPolarHBondContact CA-O 3.41Å; G190-M206 PolarHBondContact O-N 3.48Å; G190-M206 VanDerWaalsContact O-N 3.12Å; L193-M206 HydrophobicContact CD2-CG 4.48Å; A194-M206 HydrophobicContact CB-CB 3.92Å; F199-M206 HydrophobicContact CB-CB 4.5Å; F199-M206 HydrophobicContact CB-CE 4.4Å; F199-M206 HydrophobicContact CD1-CE 3.77Å; F199-M206 HydrophobicContact CD2-CE 4.34Å; F199-M206 HydrophobicContact CD2-CG 3.99Å; F199-M206 HydrophobicContact CE1-CE 4.07Å; F199-M206 HydrophobicContact CE2-CG 4.31Å; F199-M206 HydrophobicContact CG-CE 3.92Å; F199-M206 HydrophobicContact CG-CG 4.36Å; F199-M206 HydrophobicContact CZ-CE 4.47Å; M206-Y213 HydrophobicContact CG-CD1 3.93Å; M206-Y213 HydrophobicContact CG-CE1 3.99Å; M206-Y213 HydrophobicContact SD-CD1 4.01Å; M206-Y213 HydrophobicContact SD-CG 4.49Å; M206-L221 HydrophobicContact CE-CD1 4.38Å; M206-L221 HydrophobicContact SD-CD1 4.09Å; M206-L221 HydrophobicContact SD-CD2 4.08Å; M206-Y250 HydrophobicContact CE-CD1 4.16Å; M206-Y250 HydrophobicContact CE-CE1 3.82Å; M206-I265 HydrophobicContact CE-CD1 3.98Å; M206-I265 HydrophobicContact SD-CD1 3.83Å
207Y98.9Very high98.4Very high7 Ų761.6 Ų61.63%0.02730%0.299CS..  trans-137.6150.9179.5-57.9-79.3000110.5N149 I186 G190 L205 L221 I224 Y225N149-Y207 HydrophobicContact CB-CD1 3.78Å; N149-Y207 HydrophobicContact CB-CE1 4.13Å; N149-Y207 WeakPolarHBondContact ND2-CD1 3.45Å; I186-Y207 HydrophobicContact CG2-CE1 3.9Å; I186-Y207 WeakPolarHBondContact O-CE1 3.44Å; I186-Y207 PolarHBondContact O-OH 3.28Å; G190-Y207 VanDerWaalsContact CA-CE1 3.42Å; L205-Y207 HydrophobicContact CB-CE2 4.07Å; Y207-L221 HydrophobicContact CD2-CD2 3.79Å; Y207-L221 HydrophobicContact CG-CD2 4.36Å; Y207-I224 HydrophobicContact CD1-CD1 4.06Å; Y207-I224 HydrophobicContact CD2-CB 4.34Å; Y207-I224 HydrophobicContact CD2-CD1 3.74Å; Y207-I224 HydrophobicContact CD2-CG2 3.89Å; Y207-I224 HydrophobicContact CE1-CG2 4.42Å; Y207-I224 HydrophobicContact CE2-CB 4.43Å; Y207-I224 HydrophobicContact CE2-CD1 4.47Å; Y207-I224 HydrophobicContact CE2-CG2 3.55Å; Y207-I224 HydrophobicContact CG-CD1 3.5Å; Y207-I224 VanDerWaalsContact CG-CD1 3.5Å; Y207-I224 HydrophobicContact CG-CG2 4.46Å; Y207-Y225 HydrophobicContact CD2-CE1 4.2Å; Y207-Y225 AromaticContact CE2-CE1 3.69Å; Y207-Y225 HydrophobicContact CE2-CE1 3.69Å
208E98.7Very high98.4Very high66 Ų6656.6 Ų56.631%0.30828%0.28SS..  trans-137.9153.2175.469.6-171.8-173.900109.7L193 R197 E212 Y213L193-E208 HydrophobicContact CD2-CB 4.06Å; L193-E208 HydrophobicContact CD2-CG 3.72Å; R197-E208 IonicContact CZ-OE1 2.88Å; R197-E208 IonicContact CZ-OE2 3.95Å; R197-E208 IonicContact NH1-OE2 3.68Å; R197-E208 PolarHBondContact NH1-OE2 2.93Å; R197-E208 VanDerWaalsContact NH2-CD 3.3Å; R197-E208 IonicContact NH2-OE1 3.44Å; R197-E208 PolarHBondContact NH2-OE1 3.02Å; R197-E208 IonicContact NH2-OE2 3.57Å; R197-E208 PolarHBondContact NH2-OE2 3.26Å; E208-E212 VanDerWaalsContact CA-O 3.25Å; E208-E212 WeakPolarHBondContact CA-O 3.34Å; E208-E212 WeakPolarHBondContact CB-O 3.48Å; E208-Y213 HydrophobicContact CB-CD1 3.93Å; E208-Y213 HydrophobicContact CB-CE1 4.24Å
209W98.8Very high98.4Very high55 Ų5550.6 Ų50.621%0.20825%0.247CC..BIsolated β-bridgetrans-143142.5168.2175.378.5000107.6E150 Y153 Q211 E212 Y214 H219E150-W209 HydrophobicContact CG-CB 3.87Å; E150-W209 HydrophobicContact CG-CG 3.89Å; Y153-W209 AromaticContact CD2-CE2 3.93Å; Y153-W209 AromaticContact CD2-CZ2 3.7Å; Y153-W209 HydrophobicContact CD2-CZ2 3.7Å; Y153-W209 AromaticContact CD2-NE1 3.92Å; Y153-W209 HydrophobicContact CE2-CH2 4.38Å; Y153-W209 AromaticContact CE2-CZ2 3.78Å; Y153-W209 HydrophobicContact CE2-CZ2 3.78Å; W209-Q211 PolarHBondContact O-N 3.4Å; W209-Q211 VanDerWaalsContact O-N 3.15Å; W209-E212 PolarHBondContact N-O 3.12Å; W209-E212 PolarHBondContact O-N 3.01Å; W209-E212 VanDerWaalsContact O-O 3.13Å; W209-Y214 HydrophobicContact CB-CD2 4.2Å; W209-Y214 HydrophobicContact CD2-CE2 4.37Å; W209-Y214 AromaticContact CE3-CD2 3.81Å; W209-Y214 HydrophobicContact CE3-CD2 3.81Å; W209-Y214 AromaticContact CE3-CE2 3.29Å; W209-Y214 HydrophobicContact CE3-CE2 3.29Å; W209-Y214 AromaticContact CE3-CZ 3.91Å; W209-Y214 AromaticContact CZ3-CE2 3.83Å; W209-Y214 HydrophobicContact CZ3-CE2 3.83Å; W209-Y214 AromaticContact CZ3-CZ 3.96Å; W209-Y214 WeakPolarHBondContact O-CD2 3.41Å; W209-Y214 WeakPolarHBondContact O-CE2 3.46Å; W209-H219 HydrophobicContact CD2-CB 4.48Å; W209-H219 AromaticContact CD2-ND1 3.9Å; W209-H219 HydrophobicContact CE3-CB 3.79Å; W209-H219 AromaticContact CE3-CG 3.53Å; W209-H219 AromaticContact CE3-ND1 3.56Å; W209-H219 AromaticContact CH2-CE1 3.67Å; W209-H219 AromaticContact CH2-NE2 3.91Å; W209-H219 HydrophobicContact CZ3-CB 4.34Å; W209-H219 AromaticContact CZ3-CD2 3.67Å; W209-H219 AromaticContact CZ3-CE1 3.64Å; W209-H219 AromaticContact CZ3-CG 3.66Å; W209-H219 AromaticContact CZ3-ND1 3.66Å; W209-H219 AromaticContact CZ3-NE2 3.68Å
210Y97.8Very high98.5Very high176 Ų17649.3 Ų49.369%0.6924%0.243SC*.THydrogen-bonded Turntrans45.948.8179.2-156.2-114.4000113.8E212Y210-E212 PolarHBondContact O-N 3.36Å
211Q98.1Very high98.6Very high180 Ų18045.8 Ų45.884%0.84122%0.221SC*.THydrogen-bonded Turntrans68.27.9176.8-52.7173.7-1.700115.9W209W209-Q211 PolarHBondContact O-N 3.4Å; W209-Q211 VanDerWaalsContact O-N 3.15Å
212E98.7Very high98.7Very high89 Ų8940.7 Ų40.742%0.41618%0.179SC..BIsolated β-bridgetrans-125.7149.2-176.6-68-66.6170.200112.3E208 W209 Y210 Y214E208-E212 VanDerWaalsContact CA-O 3.25Å; E208-E212 WeakPolarHBondContact CA-O 3.34Å; E208-E212 WeakPolarHBondContact CB-O 3.48Å; W209-E212 PolarHBondContact N-O 3.12Å; W209-E212 PolarHBondContact O-N 3.01Å; W209-E212 VanDerWaalsContact O-O 3.13Å; Y210-E212 PolarHBondContact O-N 3.36Å; E212-Y214 HydrophobicContact CB-CD2 3.96Å; E212-Y214 HydrophobicContact CB-CE2 3.66Å; E212-Y214 HydrophobicContact CG-CE2 4.46Å; E212-Y214 PolarHBondContact O-N 3.28Å
213Y98.8Very high98.7Very high43 Ų4333.4 Ų33.417%0.16915%0.147CC..  trans-88.377.5170.9-51.9-70.1000110R197 F199 M206 E208 C264 I265R197-Y213 WeakPolarHBondContact CD-OH 3.46Å; R197-Y213 WeakPolarHBondContact CG-OH 3.41Å; R197-Y213 VanDerWaalsContact NH1-CZ 3.35Å; R197-Y213 PolarHBondContact NH1-OH 3.16Å; F199-Y213 HydrophobicContact CE2-CE1 4.3Å; F199-Y213 HydrophobicContact CE2-CE2 4.17Å; F199-Y213 AromaticContact CE2-CZ 3.88Å; F199-Y213 HydrophobicContact CZ-CE2 4.42Å; M206-Y213 HydrophobicContact CG-CD1 3.93Å; M206-Y213 HydrophobicContact CG-CE1 3.99Å; M206-Y213 HydrophobicContact SD-CD1 4.01Å; M206-Y213 HydrophobicContact SD-CG 4.49Å; E208-Y213 HydrophobicContact CB-CD1 3.93Å; E208-Y213 HydrophobicContact CB-CE1 4.24Å; Y213-C264 CarbonylContact O-C 3.49Å; Y213-C264 VanDerWaalsContact O-CA 3.3Å; Y213-C264 WeakPolarHBondContact O-CA 3.28Å; Y213-I265 HydrophobicContact CD2-CB 4.47Å; Y213-I265 HydrophobicContact CD2-CD1 4.44Å; Y213-I265 HydrophobicContact CG-CD1 4.09Å; Y213-I265 PolarHBondContact O-N 3.04Å
214Y98.9Very high98.7Very high37 Ų3733.5 Ų33.515%0.14515%0.148CC..BIsolated β-bridgetrans-61.4138.1179.4-77.4-77.5000112.2W209 E212 H219 G220 L221 C264 H277W209-Y214 HydrophobicContact CB-CD2 4.2Å; W209-Y214 HydrophobicContact CD2-CE2 4.37Å; W209-Y214 AromaticContact CE3-CD2 3.81Å; W209-Y214 HydrophobicContact CE3-CD2 3.81Å; W209-Y214 AromaticContact CE3-CE2 3.29Å; W209-Y214 HydrophobicContact CE3-CE2 3.29Å; W209-Y214 AromaticContact CE3-CZ 3.91Å; W209-Y214 AromaticContact CZ3-CE2 3.83Å; W209-Y214 HydrophobicContact CZ3-CE2 3.83Å; W209-Y214 AromaticContact CZ3-CZ 3.96Å; W209-Y214 WeakPolarHBondContact O-CD2 3.41Å; W209-Y214 WeakPolarHBondContact O-CE2 3.46Å; E212-Y214 HydrophobicContact CB-CD2 3.96Å; E212-Y214 HydrophobicContact CB-CE2 3.66Å; E212-Y214 HydrophobicContact CG-CE2 4.46Å; E212-Y214 PolarHBondContact O-N 3.28Å; Y214-H219 WeakPolarHBondContact CB-O 3.47Å; Y214-H219 HydrophobicContact CD1-CB 4.03Å; Y214-H219 HydrophobicContact CD2-CB 3.82Å; Y214-H219 HydrophobicContact CE1-CB 4.5Å; Y214-H219 HydrophobicContact CE2-CB 4.35Å; Y214-H219 HydrophobicContact CG-CB 3.63Å; Y214-G220 CarbonylContact O-C 3.56Å; Y214-G220 WeakPolarHBondContact O-CA 3.41Å; Y214-L221 WeakPolarHBondContact O-CG 3.24Å; Y214-L221 PolarHBondContact O-N 3.13Å; Y214-C264 VanDerWaalsContact CD1-SG 3.51Å; Y214-H277 AromaticContact CD1-CE1 3.5Å; Y214-H277 VanDerWaalsContact CD1-CE1 3.5Å; Y214-H277 WeakPolarHBondContact CD1-CE1 3.47Å; Y214-H277 AromaticContact CD1-ND1 3.93Å; Y214-H277 AromaticContact CE1-CE1 3.54Å
215V98.9Very high98.8Very high0 Ų032.5 Ų32.50%014%0.141CC..  trans-97.4-37.8-177.9174.20000112.2A222 V251 L254 P262 P263 I265V215-A222 WeakPolarHBondContact O-CB 3.35Å; V215-A222 PolarHBondContact O-N 3.02Å; V215-V251 HydrophobicContact CG1-CG1 4.09Å; V215-L254 HydrophobicContact CG1-CD1 4.36Å; V215-L254 HydrophobicContact CG2-CD1 3.73Å; V215-P262 WeakPolarHBondContact CB-O 3.32Å; V215-P262 HydrophobicContact CG2-CG 4.33Å; V215-P263 PolarHBondContact N-O 3.45Å; V215-I265 HydrophobicContact CG2-CG1 4.13Å
216G98.7Very high98.8Very high0 Ų033 Ų330%014%0.143CC..SBendtrans-70-173.7-171.400000116G220G216-G220 CarbonylContact O-C 3.42Å; G216-G220 WeakPolarHBondContact O-CA 3.49Å; G216-G220 PolarHBondContact O-N 3.02Å; G216-G220 VanDerWaalsContact O-N 3.13Å
217A98.9Very high98.8Very high0 Ų033 Ų330%014%0.143CC..THydrogen-bonded Turntrans-78.7-35.4-172.600000114.3M151 W275 C276 F397M151-A217 WeakPolarHBondContact CG-O 3.38Å; A217-W275 HydrophobicContact CB-CZ2 4.48Å; A217-W275 WeakPolarHBondContact CB-O 3.28Å; A217-C276 PolarHBondContact N-O 3.48Å; A217-F397 HydrophobicContact CB-CE2 4.11Å; A217-F397 HydrophobicContact CB-CZ 3.89Å
218A98.6Very high98.8Very high0 Ų032.7 Ų32.70%014%0.142CC..THydrogen-bonded Turntrans-68.7-52.7-175.500000111.7M151 L152 W275 C276M151-A218 VanDerWaalsContact CB-O 3.26Å; M151-A218 WeakPolarHBondContact CB-O 2.96Å; M151-A218 PolarHBondContact N-O 2.91Å; L152-A218 HydrophobicContact CD1-CB 4.39Å; L152-A218 HydrophobicContact CG-CB 4.22Å; A218-W275 HydrophobicContact CB-CE3 4.33Å; A218-W275 HydrophobicContact CB-CH2 4.1Å; A218-W275 HydrophobicContact CB-CZ3 3.8Å; A218-C276 HydrophobicContact CB-CB 3.55Å
219H98.8Very high98.8Very high25 Ų2529.8 Ų29.812%0.11613%0.128CC..THydrogen-bonded Turntrans-113.10.8-171.3-66.2-53.2000114.4E150 L152 Y153 W209 Y214E150-H219 VanDerWaalsContact CB-O 3.23Å; E150-H219 WeakPolarHBondContact CB-O 3.23Å; E150-H219 HydrophobicContact CG-CB 4.33Å; E150-H219 WeakPolarHBondContact CG-O 3.16Å; E150-H219 IonicContact OE2-CE1 2.95Å; E150-H219 IonicContact OE2-CG 3.83Å; E150-H219 IonicContact OE2-ND1 3.78Å; E150-H219 PolarHBondContact OE2-ND1 2.9Å; L152-H219 VanDerWaalsContact CD1-CE1 3.44Å; L152-H219 WeakPolarHBondContact CD1-CE1 3.35Å; Y153-H219 AromaticContact CE2-CE1 3.95Å; W209-H219 HydrophobicContact CD2-CB 4.48Å; W209-H219 AromaticContact CD2-ND1 3.9Å; W209-H219 HydrophobicContact CE3-CB 3.79Å; W209-H219 AromaticContact CE3-CG 3.53Å; W209-H219 AromaticContact CE3-ND1 3.56Å; W209-H219 AromaticContact CH2-CE1 3.67Å; W209-H219 AromaticContact CH2-NE2 3.91Å; W209-H219 HydrophobicContact CZ3-CB 4.34Å; W209-H219 AromaticContact CZ3-CD2 3.67Å; W209-H219 AromaticContact CZ3-CE1 3.64Å; W209-H219 AromaticContact CZ3-CG 3.66Å; W209-H219 AromaticContact CZ3-ND1 3.66Å; W209-H219 AromaticContact CZ3-NE2 3.68Å; Y214-H219 WeakPolarHBondContact CB-O 3.47Å; Y214-H219 HydrophobicContact CD1-CB 4.03Å; Y214-H219 HydrophobicContact CD2-CB 3.82Å; Y214-H219 HydrophobicContact CE1-CB 4.5Å; Y214-H219 HydrophobicContact CE2-CB 4.35Å; Y214-H219 HydrophobicContact CG-CB 3.63Å
220G98.7Very high98.8Very high3 Ų328.1 Ų28.13%0.03112%0.123CC..SBendtrans-132.4-173.6-154.700000117.1Y214 G216 A222 G223 I224Y214-G220 CarbonylContact O-C 3.56Å; Y214-G220 WeakPolarHBondContact O-CA 3.41Å; G216-G220 CarbonylContact O-C 3.42Å; G216-G220 WeakPolarHBondContact O-CA 3.49Å; G216-G220 PolarHBondContact O-N 3.02Å; G216-G220 VanDerWaalsContact O-N 3.13Å; G220-A222 VanDerWaalsContact C-N 3.34Å; G220-A222 PolarHBondContact O-N 3.2Å; G220-G223 PolarHBondContact O-N 3.14Å; G220-I224 WeakPolarHBondContact O-CG1 3.17Å; G220-I224 PolarHBondContact O-N 3.45Å
221L98.9Very high98.8Very high0 Ų024.6 Ų24.60%012%0.121CC..Hα-helixtrans-56.1-43.5-175.5-63.1-177.4000112.7M206 Y207 Y214 G223 I224 Y225 V251 I265M206-L221 HydrophobicContact CE-CD1 4.38Å; M206-L221 HydrophobicContact SD-CD1 4.09Å; M206-L221 HydrophobicContact SD-CD2 4.08Å; Y207-L221 HydrophobicContact CD2-CD2 3.79Å; Y207-L221 HydrophobicContact CG-CD2 4.36Å; Y214-L221 WeakPolarHBondContact O-CG 3.24Å; Y214-L221 PolarHBondContact O-N 3.13Å; L221-G223 VanDerWaalsContact C-N 3.32Å; L221-G223 PolarHBondContact O-N 3.44Å; L221-I224 PolarHBondContact O-N 3Å; L221-Y225 HydrophobicContact CB-CD2 4.03Å; L221-Y225 HydrophobicContact CB-CE2 3.67Å; L221-Y225 HydrophobicContact CD1-CE2 4.36Å; L221-Y225 HydrophobicContact CD2-CE2 4.1Å; L221-Y225 HydrophobicContact CG-CE2 4.24Å; L221-Y225 WeakPolarHBondContact O-CB 3.46Å; L221-Y225 WeakPolarHBondContact O-CD2 3.08Å; L221-Y225 VanDerWaalsContact O-CG 3.29Å; L221-Y225 PolarHBondContact O-N 3.07Å; L221-V251 HydrophobicContact CB-CG2 3.67Å; L221-V251 HydrophobicContact CD1-CG2 3.72Å; L221-V251 HydrophobicContact CG-CG2 4.35Å; L221-I265 HydrophobicContact CD1-CD1 4.26Å
222A98.9Very high98.7Very high0 Ų017.9 Ų17.90%09%0.094CC..Hα-helixtrans-61.2-41.4-178.600000112.1V215 G220 Y226 V282 M285V215-A222 WeakPolarHBondContact O-CB 3.35Å; V215-A222 PolarHBondContact O-N 3.02Å; G220-A222 VanDerWaalsContact C-N 3.34Å; G220-A222 PolarHBondContact O-N 3.2Å; A222-Y226 WeakPolarHBondContact O-CB 3.33Å; A222-Y226 PolarHBondContact O-N 2.59Å; A222-V282 HydrophobicContact CB-CB 4.39Å; A222-V282 HydrophobicContact CB-CG2 3.98Å; A222-M285 HydrophobicContact CB-CB 4.16Å; A222-M285 HydrophobicContact CB-SD 4.28Å
223G98.9Very high98.7Very high0 Ų013.6 Ų13.60%07%0.074CC..Hα-helixtrans-63.8-48.1175.700000111.5G220 L221 Y226 Y227G220-G223 PolarHBondContact O-N 3.14Å; L221-G223 VanDerWaalsContact C-N 3.32Å; L221-G223 PolarHBondContact O-N 3.44Å; G223-Y226 PolarHBondContact O-N 3.1Å; G223-Y227 WeakPolarHBondContact O-CD2 3.45Å; G223-Y227 PolarHBondContact O-N 2.89Å
224I99Very high98.6Very high2 Ų216.5 Ų16.51%0.019%0.089CC..Hα-helixtrans-63.3-48.2-178.8-62166.2000111.4N149 E150 I156 I186 Y207 G220 L221 Y227 L228N149-I224 HydrophobicContact CB-CD1 3.79Å; N149-I224 HydrophobicContact CB-CG1 4.41Å; E150-I224 HydrophobicContact CB-CD1 4.47Å; I156-I224 HydrophobicContact CD1-CB 4.38Å; I156-I224 HydrophobicContact CD1-CG1 3.79Å; I186-I224 HydrophobicContact CG2-CG2 4.08Å; Y207-I224 HydrophobicContact CD1-CD1 4.06Å; Y207-I224 HydrophobicContact CD2-CB 4.34Å; Y207-I224 HydrophobicContact CD2-CD1 3.74Å; Y207-I224 HydrophobicContact CD2-CG2 3.89Å; Y207-I224 HydrophobicContact CE1-CG2 4.42Å; Y207-I224 HydrophobicContact CE2-CB 4.43Å; Y207-I224 HydrophobicContact CE2-CD1 4.47Å; Y207-I224 HydrophobicContact CE2-CG2 3.55Å; Y207-I224 HydrophobicContact CG-CD1 3.5Å; Y207-I224 VanDerWaalsContact CG-CD1 3.5Å; Y207-I224 HydrophobicContact CG-CG2 4.46Å; G220-I224 WeakPolarHBondContact O-CG1 3.17Å; G220-I224 PolarHBondContact O-N 3.45Å; L221-I224 PolarHBondContact O-N 3Å; I224-Y227 PolarHBondContact O-N 3.26Å; I224-L228 HydrophobicContact CG2-CD1 3.98Å; I224-L228 HydrophobicContact CG2-CG 4.39Å; I224-L228 WeakPolarHBondContact O-CG 3.26Å; I224-L228 PolarHBondContact O-N 3.1Å
225Y98.9Very high98.6Very high0 Ų015.4 Ų15.40%09%0.086CC..Hα-helixtrans-69.4-34.3-179.5-61.1-36.8000112.7L205 Y207 L221 Y227 L228 M229 V244 S247 V248 V251 M285L205-Y225 HydrophobicContact CB-CE1 3.92Å; L205-Y225 HydrophobicContact CD1-CE1 3.96Å; L205-Y225 PolarHBondContact O-OH 3.45Å; L205-Y225 VanDerWaalsContact O-OH 3.08Å; Y207-Y225 HydrophobicContact CD2-CE1 4.2Å; Y207-Y225 AromaticContact CE2-CE1 3.69Å; Y207-Y225 HydrophobicContact CE2-CE1 3.69Å; L221-Y225 HydrophobicContact CB-CD2 4.03Å; L221-Y225 HydrophobicContact CB-CE2 3.67Å; L221-Y225 HydrophobicContact CD1-CE2 4.36Å; L221-Y225 HydrophobicContact CD2-CE2 4.1Å; L221-Y225 HydrophobicContact CG-CE2 4.24Å; L221-Y225 WeakPolarHBondContact O-CB 3.46Å; L221-Y225 WeakPolarHBondContact O-CD2 3.08Å; L221-Y225 VanDerWaalsContact O-CG 3.29Å; L221-Y225 PolarHBondContact O-N 3.07Å; Y225-Y227 VanDerWaalsContact C-N 3.27Å; Y225-Y227 PolarHBondContact O-N 3.38Å; Y225-L228 HydrophobicContact CD1-CD1 4.16Å; Y225-L228 PolarHBondContact O-N 2.62Å; Y225-M229 VanDerWaalsContact O-CE 3.31Å; Y225-M229 WeakPolarHBondContact O-CE 3.34Å; Y225-M229 WeakPolarHBondContact O-CG 3.24Å; Y225-M229 PolarHBondContact O-N 3.26Å; Y225-M229 VanDerWaalsContact O-N 3.09Å; Y225-V244 HydrophobicContact CD1-CG1 4.48Å; Y225-S247 WeakPolarHBondContact CE2-O 3.23Å; Y225-S247 VanDerWaalsContact CZ-CB 3.49Å; Y225-S247 WeakPolarHBondContact OH-CB 3.25Å; Y225-V248 HydrophobicContact CD2-CG2 4.14Å; Y225-V248 HydrophobicContact CG-CG2 3.98Å; Y225-V251 HydrophobicContact CD2-CG2 3.96Å; Y225-V251 HydrophobicContact CE2-CG2 3.73Å; Y225-M285 HydrophobicContact CD2-SD 4.14Å
226Y98.9Very high98.6Very high10 Ų1018.2 Ų18.24%0.03911%0.106CC..Hα-helixtrans-54.5-45.8170.3169.5-106.7000111.3A222 G223 Q230 Y284 Q288 F397 L399A222-Y226 WeakPolarHBondContact O-CB 3.33Å; A222-Y226 PolarHBondContact O-N 2.59Å; G223-Y226 PolarHBondContact O-N 3.1Å; Y226-Q230 VanDerWaalsContact CZ-NE2 3.34Å; Y226-Q230 WeakPolarHBondContact O-CG 3.48Å; Y226-Q230 PolarHBondContact O-NE2 3.13Å; Y226-Y284 VanDerWaalsContact CD2-O 3.28Å; Y226-Y284 WeakPolarHBondContact CD2-O 3.08Å; Y226-Q288 HydrophobicContact CD2-CB 3.66Å; Y226-Q288 HydrophobicContact CD2-CG 4.13Å; Y226-Q288 HydrophobicContact CE2-CB 3.98Å; Y226-Q288 HydrophobicContact CE2-CG 4.36Å; Y226-F397 HydrophobicContact CD1-CE1 4.08Å; Y226-F397 HydrophobicContact CD1-CE2 4.13Å; Y226-F397 AromaticContact CD1-CZ 3.66Å; Y226-F397 HydrophobicContact CD1-CZ 3.66Å; Y226-F397 HydrophobicContact CE1-CE1 4.16Å; Y226-F397 HydrophobicContact CE1-CZ 4.16Å; Y226-F397 HydrophobicContact CG-CZ 4.21Å; Y226-L399 PolarHBondContact OH-N 3.08Å
227Y98.9Very high98.5Very high0 Ų023.9 Ų23.90%013%0.133CC..Hα-helixtrans-69.2-44.3177.8-87.5-107000112.7M151 I156 I159 Y160 G223 I224 Y225 M229 Q230 L233 F397 L399M151-Y227 HydrophobicContact CE-CE2 4.33Å; M151-Y227 HydrophobicContact SD-CD2 4.1Å; M151-Y227 HydrophobicContact SD-CE2 3.45Å; M151-Y227 WeakPolarHBondContact SD-CE2 3.34Å; I156-Y227 HydrophobicContact CB-CD1 4.11Å; I156-Y227 HydrophobicContact CB-CD2 4.36Å; I156-Y227 HydrophobicContact CB-CG 3.97Å; I156-Y227 HydrophobicContact CD1-CD2 4.29Å; I156-Y227 HydrophobicContact CG2-CG 4.18Å; I159-Y227 HydrophobicContact CG2-CD1 4.08Å; I159-Y227 HydrophobicContact CG2-CE1 4.3Å; Y160-Y227 WeakPolarHBondContact CD2-OH 3.11Å; G223-Y227 WeakPolarHBondContact O-CD2 3.45Å; G223-Y227 PolarHBondContact O-N 2.89Å; I224-Y227 PolarHBondContact O-N 3.26Å; Y225-Y227 VanDerWaalsContact C-N 3.27Å; Y225-Y227 PolarHBondContact O-N 3.38Å; Y227-M229 PolarHBondContact O-N 3.38Å; Y227-M229 VanDerWaalsContact O-N 3.16Å; Y227-Q230 VanDerWaalsContact O-CB 3.22Å; Y227-Q230 WeakPolarHBondContact O-CB 3.46Å; Y227-Q230 WeakPolarHBondContact O-CG 3.21Å; Y227-Q230 PolarHBondContact O-N 2.9Å; Y227-L233 WeakPolarHBondContact O-CD2 3.47Å; Y227-F397 HydrophobicContact CE2-CD2 4.06Å; Y227-F397 AromaticContact CE2-CE2 3.96Å; Y227-F397 HydrophobicContact CE2-CE2 3.96Å; Y227-F397 PolarHBondContact OH-O 3.25Å; Y227-L399 HydrophobicContact CD1-CD1 4.49Å; Y227-L399 HydrophobicContact CE1-CD1 4.1Å
228L98.9Very high98.5Very high1 Ų126.2 Ų26.21%0.00516%0.157CC..Hα-helixtrans-62.7-23.4179.6-71174.9000113.3I186 L187 L205 I224 Y225 Q230 V235 V244I186-L228 HydrophobicContact CG2-CD2 4.39Å; L187-L228 HydrophobicContact CD2-CD1 3.96Å; L187-L228 HydrophobicContact CD2-CD2 3.94Å; L187-L228 HydrophobicContact CG-CD2 3.98Å; L205-L228 HydrophobicContact CD1-CD1 4.14Å; I224-L228 HydrophobicContact CG2-CD1 3.98Å; I224-L228 HydrophobicContact CG2-CG 4.39Å; I224-L228 WeakPolarHBondContact O-CG 3.26Å; I224-L228 PolarHBondContact O-N 3.1Å; Y225-L228 HydrophobicContact CD1-CD1 4.16Å; Y225-L228 PolarHBondContact O-N 2.62Å; L228-Q230 VanDerWaalsContact C-N 3.34Å; L228-V235 HydrophobicContact CD2-CG2 4.29Å; L228-V235 VanDerWaalsContact O-CG2 3.31Å; L228-V235 WeakPolarHBondContact O-CG2 3.23Å; L228-V244 HydrophobicContact CB-CG1 4.25Å; L228-V244 HydrophobicContact CB-CG2 4.13Å; L228-V244 HydrophobicContact CD1-CG2 4.37Å
229M98.9Very high98.5Very high4 Ų429.1 Ų29.12%0.0217%0.17CC..THydrogen-bonded Turntrans-86.80.3173.2-67.9-173.8-7100113.7Y225 Y227 L240 V244 V248 M285 Q288 A289 V292 F293Y225-M229 VanDerWaalsContact O-CE 3.31Å; Y225-M229 WeakPolarHBondContact O-CE 3.34Å; Y225-M229 WeakPolarHBondContact O-CG 3.24Å; Y225-M229 PolarHBondContact O-N 3.26Å; Y225-M229 VanDerWaalsContact O-N 3.09Å; Y227-M229 PolarHBondContact O-N 3.38Å; Y227-M229 VanDerWaalsContact O-N 3.16Å; M229-L240 HydrophobicContact CG-CD2 4.41Å; M229-V244 HydrophobicContact CG-CG1 3.76Å; M229-V248 HydrophobicContact CE-CG2 3.96Å; M229-V248 HydrophobicContact SD-CG2 4.07Å; M229-M285 HydrophobicContact CE-CG 3.73Å; M229-M285 WeakPolarHBondContact CE-O 3.34Å; M229-Q288 HydrophobicContact CB-CG 3.56Å; M229-Q288 HydrophobicContact CE-CB 4.1Å; M229-Q288 HydrophobicContact CE-CG 4.18Å; M229-Q288 PolarHBondContact O-NE2 3.14Å; M229-A289 HydrophobicContact CE-CB 4.04Å; M229-A289 HydrophobicContact SD-CB 3.87Å; M229-V292 HydrophobicContact CB-CG2 4.3Å; M229-F293 HydrophobicContact CG-CE2 4.34Å; M229-F293 HydrophobicContact CG-CZ 4.5Å; M229-F293 HydrophobicContact SD-CD2 4.3Å; M229-F293 HydrophobicContact SD-CE2 3.5Å; M229-F293 WeakPolarHBondContact SD-CE2 3.5Å; M229-F293 HydrophobicContact SD-CZ 4.2Å
230Q98.8Very high98.5Very high20 Ų2028.7 Ų28.79%0.09317%0.168CC..  trans-76130.6177.6-65-61.9-4000110.8Y226 Y227 L228 S232 L233 L399Y226-Q230 VanDerWaalsContact CZ-NE2 3.34Å; Y226-Q230 WeakPolarHBondContact O-CG 3.48Å; Y226-Q230 PolarHBondContact O-NE2 3.13Å; Y227-Q230 VanDerWaalsContact O-CB 3.22Å; Y227-Q230 WeakPolarHBondContact O-CB 3.46Å; Y227-Q230 WeakPolarHBondContact O-CG 3.21Å; Y227-Q230 PolarHBondContact O-N 2.9Å; L228-Q230 VanDerWaalsContact C-N 3.34Å; Q230-S232 PolarHBondContact O-N 2.89Å; Q230-S232 VanDerWaalsContact O-N 3.14Å; Q230-L233 HydrophobicContact CB-CD1 4.25Å; Q230-L233 PolarHBondContact O-N 3.46Å; Q230-L399 HydrophobicContact CB-CD1 4.42Å; Q230-L399 HydrophobicContact CG-CD1 3.79Å
231P97.7Very high98.5Very high102 Ų10232.8 Ų32.866%0.66219%0.186SC*.G310 helixtrans-56.5-31.1176.6-26.334.9000113.4L233 Q234P231-L233 PolarHBondContact O-N 2.97Å; P231-Q234 WeakPolarHBondContact O-CG 3.08Å; P231-Q234 PolarHBondContact O-N 2.9Å; P231-Q234 VanDerWaalsContact O-N 3.07Å
232S97Very high98.5Very high39 Ų3936.1 Ų36.127%0.27321%0.209SC..G310 helixtrans-63.8-18.9178.353.20000114.1Q176 Q230Q176-S232 PolarHBondContact NE2-O 3.4Å; Q230-S232 PolarHBondContact O-N 2.89Å; Q230-S232 VanDerWaalsContact O-N 3.14Å
233L98Very high98.5Very high0 Ų036.9 Ų36.90%021%0.214CC..G310 helixtrans-91.3-10.4175.6-86.966.1000113I159 L163 I179 C183 Y227 Q230 P231 V235I159-L233 HydrophobicContact CD1-CD2 4.03Å; I159-L233 HydrophobicContact CG2-CD1 3.91Å; I159-L233 HydrophobicContact CG2-CG 4.48Å; L163-L233 HydrophobicContact CD1-CD1 4.03Å; I179-L233 HydrophobicContact CG2-CD1 4.49Å; I179-L233 HydrophobicContact CG2-CG 4.43Å; C183-L233 HydrophobicContact CB-CD2 4.31Å; C183-L233 HydrophobicContact CB-CG 4.44Å; Y227-L233 WeakPolarHBondContact O-CD2 3.47Å; Q230-L233 HydrophobicContact CB-CD1 4.25Å; Q230-L233 PolarHBondContact O-N 3.46Å; P231-L233 PolarHBondContact O-N 2.97Å; L233-V235 VanDerWaalsContact C-N 3.26Å; L233-V235 PolarHBondContact O-N 2.74Å
234Q98Very high98.5Very high103 Ų10336.9 Ų36.948%0.48121%0.214SC..  trans5337.8173-60.5177.2-30.600114.4Q176 P231 S236Q176-Q234 VanDerWaalsContact CG-OE1 3.23Å; Q176-Q234 VanDerWaalsContact NE2-CD 3.33Å; Q176-Q234 VanDerWaalsContact NE2-OE1 3.08Å; P231-Q234 WeakPolarHBondContact O-CG 3.08Å; P231-Q234 PolarHBondContact O-N 2.9Å; P231-Q234 VanDerWaalsContact O-N 3.07Å; Q234-S236 PolarHBondContact O-N 2.71Å
235V98.6Very high98.5Very high14 Ų1437.9 Ų37.99%0.08522%0.218CC..  trans-62124.7169.5-177.70000108.5L187 L228 L233 K239 L240L187-V235 HydrophobicContact CD1-CG1 4.16Å; L187-V235 HydrophobicContact CD1-CG2 4.2Å; L228-V235 HydrophobicContact CD2-CG2 4.29Å; L228-V235 VanDerWaalsContact O-CG2 3.31Å; L228-V235 WeakPolarHBondContact O-CG2 3.23Å; L233-V235 VanDerWaalsContact C-N 3.26Å; L233-V235 PolarHBondContact O-N 2.74Å; V235-K239 HydrophobicContact CG1-CB 3.74Å; V235-L240 HydrophobicContact CB-CD2 4.13Å; V235-L240 HydrophobicContact CB-CG 4.05Å; V235-L240 HydrophobicContact CG1-CD2 4.13Å; V235-L240 HydrophobicContact CG1-CG 3.91Å
236S98.2Very high98.5Very high60 Ų6040 Ų4042%0.4223%0.232SC..  trans-55.7146.2-178.1700000111.6Q234 G238 K239 L240Q234-S236 PolarHBondContact O-N 2.71Å; S236-G238 PolarHBondContact O-N 3.01Å; S236-G238 VanDerWaalsContact O-N 3.13Å; S236-K239 PolarHBondContact O-N 3.38Å; S236-K239 WeakPolarHBondContact OG-CB 3.39Å; S236-K239 WeakPolarHBondContact OG-CG 3.34Å; S236-K239 PolarHBondContact OG-N 3.21Å; S236-L240 PolarHBondContact O-N 3.28Å
237Q97.6Very high98.5Very high118 Ų11839.6 Ų39.655%0.55123%0.23SC*.Hα-helixtrans-54.2-37.9179.8-166.5674.900112.5L240 H241Q237-L240 PolarHBondContact O-N 3.41Å; Q237-H241 PolarHBondContact NE2-NE2 3.35Å; Q237-H241 PolarHBondContact O-CD2 2.88Å; Q237-H241 PolarHBondContact O-N 3.34Å
238G98.4Very high98.5Very high49 Ų4939.6 Ų39.651%0.50523%0.23SC..Hα-helixtrans-59.2-54174.300000112.3S236 L240 H241 S242S236-G238 PolarHBondContact O-N 3.01Å; S236-G238 VanDerWaalsContact O-N 3.13Å; G238-L240 VanDerWaalsContact C-N 3.33Å; G238-L240 PolarHBondContact O-N 3.03Å; G238-H241 PolarHBondContact O-N 3.48Å; G238-S242 WeakPolarHBondContact O-CB 3.23Å; G238-S242 PolarHBondContact O-N 3.29Å; G238-S242 PolarHBondContact O-OG 3.42Å
239K98.6Very high98.5Very high62 Ų6241 Ų4127%0.2724%0.237SC..Hα-helixtrans-63.5-34.2177.9-71-178.2-179176.80113E184 L187 V235 S236 H241 L243 V244E184-K239 IonicContact OE1-NZ 2.85Å; E184-K239 PolarHBondContact OE1-NZ 3.44Å; E184-K239 IonicContact OE2-NZ 2.65Å; E184-K239 PolarHBondContact OE2-NZ 2.91Å; L187-K239 HydrophobicContact CD1-CD 4.25Å; V235-K239 HydrophobicContact CG1-CB 3.74Å; S236-K239 PolarHBondContact O-N 3.38Å; S236-K239 WeakPolarHBondContact OG-CB 3.39Å; S236-K239 WeakPolarHBondContact OG-CG 3.34Å; S236-K239 PolarHBondContact OG-N 3.21Å; K239-H241 VanDerWaalsContact C-N 3.33Å; K239-H241 PolarHBondContact O-N 2.67Å; K239-L243 HydrophobicContact CB-CD1 4.21Å; K239-L243 HydrophobicContact CD-CD1 4.49Å; K239-L243 HydrophobicContact CG-CD1 4.12Å; K239-L243 WeakPolarHBondContact O-CA 3.41Å; K239-L243 VanDerWaalsContact O-CB 3.29Å; K239-L243 WeakPolarHBondContact O-CB 3.01Å; K239-L243 PolarHBondContact O-N 3.16Å; K239-V244 PolarHBondContact O-N 2.94Å
240L98.6Very high98.5Very high15 Ų1541.9 Ų41.98%0.07924%0.241CC..Iπ-helixtrans-59.2-45.7174.7-83173.2000111.3M229 V235 S236 Q237 G238 V244 K245 V292 F293M229-L240 HydrophobicContact CG-CD2 4.41Å; V235-L240 HydrophobicContact CB-CD2 4.13Å; V235-L240 HydrophobicContact CB-CG 4.05Å; V235-L240 HydrophobicContact CG1-CD2 4.13Å; V235-L240 HydrophobicContact CG1-CG 3.91Å; S236-L240 PolarHBondContact O-N 3.28Å; Q237-L240 PolarHBondContact O-N 3.41Å; G238-L240 VanDerWaalsContact C-N 3.33Å; G238-L240 PolarHBondContact O-N 3.03Å; L240-V244 HydrophobicContact CD2-CB 4.27Å; L240-V244 HydrophobicContact CD2-CG2 4.25Å; L240-V244 PolarHBondContact O-N 2.77Å; L240-K245 WeakPolarHBondContact O-CB 3.45Å; L240-K245 PolarHBondContact O-N 2.9Å; L240-V292 HydrophobicContact CD1-CG1 4.43Å; L240-F293 HydrophobicContact CB-CE1 4.41Å
241H98.8Very high98.5Very high89 Ų8940.9 Ų40.941%0.41224%0.236SC..Iπ-helixtrans-79.9-35.9-179.4-79.8-91.4000113.6Q237 G238 K239 P246 F293Q237-H241 PolarHBondContact NE2-NE2 3.35Å; Q237-H241 PolarHBondContact O-CD2 2.88Å; Q237-H241 PolarHBondContact O-N 3.34Å; G238-H241 PolarHBondContact O-N 3.48Å; K239-H241 VanDerWaalsContact C-N 3.33Å; K239-H241 PolarHBondContact O-N 2.67Å; H241-P246 WeakPolarHBondContact O-CD 3.35Å; H241-F293 AromaticContact CE1-CD1 3.95Å
242S98.6Very high98.5Very high70 Ų7036.9 Ų36.949%0.4921%0.21SC..Iπ-helixtrans-85-30.9-176.366.30000114G238G238-S242 WeakPolarHBondContact O-CB 3.23Å; G238-S242 PolarHBondContact O-N 3.29Å; G238-S242 PolarHBondContact O-OG 3.42Å
243L98.8Very high98.6Very high17 Ų1742.1 Ų42.19%0.08923%0.231CC..Iπ-helixtrans-110.9-56.4-175.8-56.8178.4000112.1E191 P204 L205 K239 S247E191-L243 HydrophobicContact CG-CD1 4.23Å; E191-L243 HydrophobicContact CG-CD2 4.07Å; E191-L243 WeakPolarHBondContact OE1-CD2 3.44Å; P204-L243 HydrophobicContact CB-CD2 3.98Å; L205-L243 HydrophobicContact CD1-CB 4.08Å; L205-L243 HydrophobicContact CD2-CB 4.36Å; L205-L243 HydrophobicContact CG-CB 4.13Å; K239-L243 HydrophobicContact CB-CD1 4.21Å; K239-L243 HydrophobicContact CD-CD1 4.49Å; K239-L243 HydrophobicContact CG-CD1 4.12Å; K239-L243 WeakPolarHBondContact O-CA 3.41Å; K239-L243 VanDerWaalsContact O-CB 3.29Å; K239-L243 WeakPolarHBondContact O-CB 3.01Å; K239-L243 PolarHBondContact O-N 3.16Å; L243-S247 WeakPolarHBondContact O-CB 3.39Å; L243-S247 PolarHBondContact O-OG 3.18Å
244V98.9Very high98.7Very high0 Ų043.7 Ų43.70%024%0.239CC..Iπ-helixtrans-75.5-49.1-168.3-176.30000111.5L187 L205 Y225 L228 M229 K239 L240 S247 V248L187-V244 HydrophobicContact CD2-CG2 4.25Å; L205-V244 HydrophobicContact CD1-CG2 4.11Å; Y225-V244 HydrophobicContact CD1-CG1 4.48Å; L228-V244 HydrophobicContact CB-CG1 4.25Å; L228-V244 HydrophobicContact CB-CG2 4.13Å; L228-V244 HydrophobicContact CD1-CG2 4.37Å; M229-V244 HydrophobicContact CG-CG1 3.76Å; K239-V244 PolarHBondContact O-N 2.94Å; L240-V244 HydrophobicContact CD2-CB 4.27Å; L240-V244 HydrophobicContact CD2-CG2 4.25Å; L240-V244 PolarHBondContact O-N 2.77Å; V244-S247 WeakPolarHBondContact O-CB 3.39Å; V244-S247 PolarHBondContact O-N 2.86Å; V244-V248 HydrophobicContact CG1-CG2 4.15Å; V244-V248 WeakPolarHBondContact O-CG2 3.47Å; V244-V248 PolarHBondContact O-N 3.22Å
245K98.9Very high98.7Very high23 Ų2341.5 Ų41.510%0.123%0.228CC..Hα-helixtrans-58.2-49.1-175.5-171.4-174.8-171.1-58.90113.5L240 S247 V248 D249 F293 E295 Y298L240-K245 WeakPolarHBondContact O-CB 3.45Å; L240-K245 PolarHBondContact O-N 2.9Å; K245-S247 PolarHBondContact O-N 3.17Å; K245-V248 WeakPolarHBondContact O-CB 3.46Å; K245-V248 PolarHBondContact O-N 3.32Å; K245-D249 IonicContact NZ-OD2 3.89Å; K245-D249 PolarHBondContact NZ-OD2 3.04Å; K245-D249 PolarHBondContact O-N 3.19Å; K245-F293 HydrophobicContact CB-CD1 4.48Å; K245-F293 HydrophobicContact CB-CE1 3.87Å; K245-F293 HydrophobicContact CB-CE2 3.97Å; K245-F293 HydrophobicContact CB-CZ 3.59Å; K245-F293 HydrophobicContact CD-CD1 3.89Å; K245-F293 HydrophobicContact CD-CD2 4.5Å; K245-F293 HydrophobicContact CD-CE1 4.06Å; K245-F293 HydrophobicContact CD-CG 4.14Å; K245-F293 HydrophobicContact CD-CZ 4.45Å; K245-F293 HydrophobicContact CG-CD1 4.21Å; K245-F293 HydrophobicContact CG-CD2 4.09Å; K245-F293 HydrophobicContact CG-CE1 4.08Å; K245-F293 HydrophobicContact CG-CE2 3.94Å; K245-F293 HydrophobicContact CG-CG 4.23Å; K245-F293 HydrophobicContact CG-CZ 3.95Å; K245-E295 WeakPolarHBondContact CE-OE1 3.34Å; K245-E295 VanDerWaalsContact NZ-CD 3.27Å; K245-E295 IonicContact NZ-OE1 2.77Å; K245-E295 PolarHBondContact NZ-OE1 2.94Å; K245-E295 IonicContact NZ-OE2 3.57Å; K245-E295 PolarHBondContact NZ-OE2 3.12Å; K245-E295 VanDerWaalsContact NZ-OE2 3.08Å; K245-Y298 PolarHBondContact NZ-OH 2.87Å; K245-Y298 VanDerWaalsContact NZ-OH 3.13Å
246P98.9Very high98.7Very high45 Ų4542.2 Ų42.229%0.29223%0.23SC..Hα-helixtrans-67.4-29.1179.6-18.133.6000112P204 H241 D249 Y250P204-P246 HydrophobicContact CG-CB 4.02Å; P204-P246 HydrophobicContact CG-CG 4.24Å; H241-P246 WeakPolarHBondContact O-CD 3.35Å; P246-D249 PolarHBondContact O-N 3.13Å; P246-Y250 PolarHBondContact O-N 2.91Å
247S98.9Very high98.7Very high0 Ų046.2 Ų46.20%025%0.254CS..Hα-helixtrans-72.3-35173.8-75.20000113.8S203 P204 L205 Y225 L243 V244 K245 Y250 V251S203-S247 WeakPolarHBondContact OG-CA 3.49Å; S203-S247 WeakPolarHBondContact OG-CB 3.4Å; S203-S247 PolarHBondContact OG-OG 2.8Å; P204-S247 WeakPolarHBondContact CD-OG 3.4Å; L205-S247 WeakPolarHBondContact CB-OG 3.26Å; L205-S247 PolarHBondContact N-OG 2.94Å; L205-S247 PolarHBondContact O-OG 3.25Å; Y225-S247 WeakPolarHBondContact CE2-O 3.23Å; Y225-S247 VanDerWaalsContact CZ-CB 3.49Å; Y225-S247 WeakPolarHBondContact OH-CB 3.25Å; L243-S247 WeakPolarHBondContact O-CB 3.39Å; L243-S247 PolarHBondContact O-OG 3.18Å; V244-S247 WeakPolarHBondContact O-CB 3.39Å; V244-S247 PolarHBondContact O-N 2.86Å; K245-S247 PolarHBondContact O-N 3.17Å; S247-Y250 WeakPolarHBondContact O-CB 3.28Å; S247-Y250 PolarHBondContact O-N 3.42Å; S247-V251 PolarHBondContact O-N 3.27Å
248V98.9Very high98.8Very high0 Ų043 Ų430%024%0.244CC..Hα-helixtrans-64-45.2167.6168.40000110.4Y225 M229 V244 K245 Y250 V251 C252 M285 A289 Y298Y225-V248 HydrophobicContact CD2-CG2 4.14Å; Y225-V248 HydrophobicContact CG-CG2 3.98Å; M229-V248 HydrophobicContact CE-CG2 3.96Å; M229-V248 HydrophobicContact SD-CG2 4.07Å; V244-V248 HydrophobicContact CG1-CG2 4.15Å; V244-V248 WeakPolarHBondContact O-CG2 3.47Å; V244-V248 PolarHBondContact O-N 3.22Å; K245-V248 WeakPolarHBondContact O-CB 3.46Å; K245-V248 PolarHBondContact O-N 3.32Å; V248-Y250 VanDerWaalsContact C-N 3.26Å; V248-Y250 PolarHBondContact O-N 3.3Å; V248-V251 WeakPolarHBondContact O-CB 3.42Å; V248-V251 PolarHBondContact O-N 2.98Å; V248-C252 PolarHBondContact O-N 3.2Å; V248-C252 PolarHBondContact O-SG 3.39Å; V248-M285 HydrophobicContact CB-SD 4.46Å; V248-M285 HydrophobicContact CG1-CE 3.96Å; V248-M285 HydrophobicContact CG1-CG 4.4Å; V248-M285 HydrophobicContact CG1-SD 4.08Å; V248-M285 HydrophobicContact CG2-CG 4.34Å; V248-M285 HydrophobicContact CG2-SD 4.16Å; V248-A289 HydrophobicContact CG1-CB 4.01Å; V248-Y298 HydrophobicContact CG1-CE1 3.96Å
249D98.9Very high98.8Very high31 Ų3140.8 Ų40.817%0.16622%0.222CC..Hα-helixtrans-60.2-37177.2-75.2-22.7000111.5K245 P246 C252 Q253 K297 Y298K245-D249 IonicContact NZ-OD2 3.89Å; K245-D249 PolarHBondContact NZ-OD2 3.04Å; K245-D249 PolarHBondContact O-N 3.19Å; P246-D249 PolarHBondContact O-N 3.13Å; D249-C252 WeakPolarHBondContact O-CB 3.4Å; D249-C252 PolarHBondContact O-N 2.94Å; D249-Q253 WeakPolarHBondContact O-CG 3.5Å; D249-Q253 PolarHBondContact O-N 3.43Å; D249-Q253 VanDerWaalsContact O-N 3.15Å; D249-K297 VanDerWaalsContact CG-NZ 3.35Å; D249-K297 WeakPolarHBondContact OD1-CE 3.32Å; D249-K297 IonicContact OD1-NZ 2.81Å; D249-K297 PolarHBondContact OD1-NZ 3.17Å; D249-K297 IonicContact OD2-NZ 3.87Å; D249-K297 PolarHBondContact OD2-NZ 3.08Å; D249-K297 VanDerWaalsContact OD2-NZ 3.13Å; D249-Y298 WeakPolarHBondContact OD1-CE1 3.41Å; D249-Y298 VanDerWaalsContact OD1-CZ 3.26Å; D249-Y298 PolarHBondContact OD1-OH 3.16Å; D249-Y298 PolarHBondContact OD2-OH 3.42Å
250Y98.9Very high98.8Very high22 Ų2237.9 Ų37.99%0.08621%0.209CC..Hα-helixtrans-60.3-44.6172176.1-101.1000112.1F199 K202 M206 P246 S247 V248 C252 Q253 L254 I265F199-Y250 WeakPolarHBondContact CE1-OH 3.37Å; K202-Y250 HydrophobicContact CB-CD2 4.2Å; K202-Y250 HydrophobicContact CB-CE2 4.33Å; M206-Y250 HydrophobicContact CE-CD1 4.16Å; M206-Y250 HydrophobicContact CE-CE1 3.82Å; P246-Y250 PolarHBondContact O-N 2.91Å; S247-Y250 WeakPolarHBondContact O-CB 3.28Å; S247-Y250 PolarHBondContact O-N 3.42Å; V248-Y250 VanDerWaalsContact C-N 3.26Å; V248-Y250 PolarHBondContact O-N 3.3Å; Y250-C252 VanDerWaalsContact C-N 3.32Å; Y250-C252 PolarHBondContact O-N 3.4Å; Y250-Q253 WeakPolarHBondContact O-CB 3.46Å; Y250-Q253 PolarHBondContact O-N 2.96Å; Y250-L254 HydrophobicContact CE1-CD1 4.05Å; Y250-L254 HydrophobicContact CE1-CD2 4.36Å; Y250-L254 HydrophobicContact CE1-CG 4.44Å; Y250-L254 PolarHBondContact O-N 2.99Å; Y250-I265 HydrophobicContact CE1-CD1 3.71Å; Y250-I265 HydrophobicContact CE1-CG1 4.43Å
251V98.9Very high98.8Very high0 Ų037.2 Ų37.20%021%0.206CC..Hα-helixtrans-62.4-39.9175.51750000111.4V215 L221 Y225 S247 V248 Q253 L254 Y261 M285V215-V251 HydrophobicContact CG1-CG1 4.09Å; L221-V251 HydrophobicContact CB-CG2 3.67Å; L221-V251 HydrophobicContact CD1-CG2 3.72Å; L221-V251 HydrophobicContact CG-CG2 4.35Å; Y225-V251 HydrophobicContact CD2-CG2 3.96Å; Y225-V251 HydrophobicContact CE2-CG2 3.73Å; S247-V251 PolarHBondContact O-N 3.27Å; V248-V251 WeakPolarHBondContact O-CB 3.42Å; V248-V251 PolarHBondContact O-N 2.98Å; V251-Q253 PolarHBondContact O-N 3.34Å; V251-L254 WeakPolarHBondContact O-CB 3.21Å; V251-L254 PolarHBondContact O-N 3.39Å; V251-Y261 WeakPolarHBondContact O-CE1 3.15Å; V251-M285 HydrophobicContact CB-CE 4.05Å; V251-M285 HydrophobicContact CB-SD 4.18Å; V251-M285 HydrophobicContact CG1-CE 3.75Å; V251-M285 HydrophobicContact CG1-SD 4.06Å
252C98.9Very high98.8Very high17 Ų1733.2 Ų33.212%0.11519%0.188CC..Hα-helixtrans-59.8-35.4177.4-58.80000111.8V248 D249 Y250 L254 K255V248-C252 PolarHBondContact O-N 3.2Å; V248-C252 PolarHBondContact O-SG 3.39Å; D249-C252 WeakPolarHBondContact O-CB 3.4Å; D249-C252 PolarHBondContact O-N 2.94Å; Y250-C252 VanDerWaalsContact C-N 3.32Å; Y250-C252 PolarHBondContact O-N 3.4Å; C252-L254 PolarHBondContact O-N 3.31Å; C252-K255 VanDerWaalsContact O-CB 3.27Å; C252-K255 WeakPolarHBondContact O-CB 3.34Å; C252-K255 PolarHBondContact O-N 3Å
253Q98.8Very high98.8Very high150 Ų15030.7 Ų30.770%0.70117%0.17SC*.Hα-helixtrans-69.6-17.6176.4-66.4167.531.700113.8D249 Y250 V251 K255D249-Q253 WeakPolarHBondContact O-CG 3.5Å; D249-Q253 PolarHBondContact O-N 3.43Å; D249-Q253 VanDerWaalsContact O-N 3.15Å; Y250-Q253 WeakPolarHBondContact O-CB 3.46Å; Y250-Q253 PolarHBondContact O-N 2.96Å; V251-Q253 PolarHBondContact O-N 3.34Å; Q253-K255 PolarHBondContact O-N 3.29Å
254L98.8Very high98.8Very high33 Ų3330.3 Ų30.317%0.17317%0.168CC..THydrogen-bonded Turntrans-78.4-6.3177.5-58.4176.6000113.2V215 Y250 V251 C252 F256 P262 I265V215-L254 HydrophobicContact CG1-CD1 4.36Å; V215-L254 HydrophobicContact CG2-CD1 3.73Å; Y250-L254 HydrophobicContact CE1-CD1 4.05Å; Y250-L254 HydrophobicContact CE1-CD2 4.36Å; Y250-L254 HydrophobicContact CE1-CG 4.44Å; Y250-L254 PolarHBondContact O-N 2.99Å; V251-L254 WeakPolarHBondContact O-CB 3.21Å; V251-L254 PolarHBondContact O-N 3.39Å; C252-L254 PolarHBondContact O-N 3.31Å; L254-F256 PolarHBondContact O-N 3.28Å; L254-P262 HydrophobicContact CB-CG 4.23Å; L254-P262 WeakPolarHBondContact O-CD 3.38Å; L254-I265 HydrophobicContact CD1-CG1 3.93Å
255K98.8Very high98.8Very high57 Ų5731.9 Ų31.925%0.24818%0.176CC..  trans-56.6132.6-179.4-172.1174.262.3-172.30111C252 Q253 Y261 D301C252-K255 VanDerWaalsContact O-CB 3.27Å; C252-K255 WeakPolarHBondContact O-CB 3.34Å; C252-K255 PolarHBondContact O-N 3Å; Q253-K255 PolarHBondContact O-N 3.29Å; K255-Y261 HydrophobicContact CB-CD1 4.27Å; K255-Y261 HydrophobicContact CB-CE1 3.7Å; K255-Y261 HydrophobicContact CB-CE2 4.49Å; K255-Y261 HydrophobicContact CD-CE2 4.33Å; K255-Y261 HydrophobicContact CG-CE1 4.23Å; K255-Y261 HydrophobicContact CG-CE2 4.12Å; K255-D301 IonicContact NZ-OD1 2.79Å; K255-D301 PolarHBondContact NZ-OD1 3.43Å; K255-D301 IonicContact NZ-OD2 3.35Å; K255-D301 PolarHBondContact NZ-OD2 3.49Å; K255-D301 VanDerWaalsContact NZ-OD2 3.1Å
256F98.9Very high98.8Very high29 Ų2934.3 Ų34.313%0.12721%0.208CC..  trans-69.2161172.8-71.5-52.9000111.5L254 S258 G259 N260 P262 D267 D270L254-F256 PolarHBondContact O-N 3.28Å; F256-S258 PolarHBondContact O-N 3.43Å; F256-G259 PolarHBondContact O-N 2.96Å; F256-N260 WeakPolarHBondContact CB-O 3.39Å; F256-N260 HydrophobicContact CD2-CB 4.4Å; F256-N260 PolarHBondContact N-O 3.41Å; F256-P262 HydrophobicContact CE1-CB 4.33Å; F256-P262 VanDerWaalsContact CE2-CA 3.44Å; F256-P262 HydrophobicContact CE2-CB 3.83Å; F256-P262 HydrophobicContact CE2-CG 4.45Å; F256-P262 VanDerWaalsContact CE2-N 3.33Å; F256-P262 HydrophobicContact CZ-CB 3.53Å; F256-P262 HydrophobicContact CZ-CG 4.26Å; F256-D267 WeakPolarHBondContact CE1-O 3.44Å; F256-D267 WeakPolarHBondContact CZ-O 3.27Å; F256-D270 HydrophobicContact CD2-CB 3.69Å; F256-D270 HydrophobicContact CE2-CB 3.83Å; F256-D270 HydrophobicContact CG-CB 4.07Å; F256-D270 HydrophobicContact CZ-CB 4.34Å
257P98.8Very high98.7Very high144 Ų14433.8 Ų33.894%0.93520%0.203SC*.THydrogen-bonded Turntrans-54.9-25.2173.6-2735.6000114.2G259P257-G259 VanDerWaalsContact C-N 3.29Å; P257-G259 PolarHBondContact O-N 3.08Å
258S98.7Very high98.6Very high49 Ų4940.3 Ų40.334%0.34324%0.237SC..THydrogen-bonded Turntrans-73-17.2176.564.20000114.8F256 N260 D270 V308F256-S258 PolarHBondContact O-N 3.43Å; S258-N260 WeakPolarHBondContact OG-CB 3.43Å; S258-N260 PolarHBondContact OG-N 3.44Å; S258-N260 VanDerWaalsContact OG-N 3.12Å; S258-D270 WeakPolarHBondContact CB-OD2 3.42Å; S258-D270 PolarHBondContact OG-OD2 3.22Å; S258-V308 WeakPolarHBondContact O-CG2 3.5Å
259G98.8Very high98.5Very high4 Ų447.6 Ų47.64%0.04127%0.265CS..SBendtrans93.7-8-167.500000114.4F256 P257F256-G259 PolarHBondContact O-N 2.96Å; P257-G259 VanDerWaalsContact C-N 3.29Å; P257-G259 PolarHBondContact O-N 3.08Å
260N98.9Very high98.5Very high0 Ų047.9 Ų47.90%027%0.266CS..  trans-80.8175.4174.6-163.520.3000111.8M1 F256 S258 D270 L272 G278 A279 V308M1-N260 HydrophobicContact SD-CB 3.87Å; F256-N260 WeakPolarHBondContact CB-O 3.39Å; F256-N260 HydrophobicContact CD2-CB 4.4Å; F256-N260 PolarHBondContact N-O 3.41Å; S258-N260 WeakPolarHBondContact OG-CB 3.43Å; S258-N260 PolarHBondContact OG-N 3.44Å; S258-N260 VanDerWaalsContact OG-N 3.12Å; N260-D270 WeakPolarHBondContact CB-OD1 3.47Å; N260-D270 PolarHBondContact ND2-OD1 3.45Å; N260-L272 PolarHBondContact ND2-O 3.33Å; N260-L272 PolarHBondContact OD1-O 3.13Å; N260-G278 WeakPolarHBondContact OD1-CA 3.5Å; N260-A279 PolarHBondContact OD1-N 3.04Å; N260-V308 HydrophobicContact CB-CG1 4.06Å
261Y98.9Very high98.4Very high2 Ų249.6 Ų49.61%0.00828%0.277CS..  trans-124.8146.1-179.3-69.4-97.5000112.2V251 K255 V282 L286V251-Y261 WeakPolarHBondContact O-CE1 3.15Å; K255-Y261 HydrophobicContact CB-CD1 4.27Å; K255-Y261 HydrophobicContact CB-CE1 3.7Å; K255-Y261 HydrophobicContact CB-CE2 4.49Å; K255-Y261 HydrophobicContact CD-CE2 4.33Å; K255-Y261 HydrophobicContact CG-CE1 4.23Å; K255-Y261 HydrophobicContact CG-CE2 4.12Å; Y261-V282 HydrophobicContact CD1-CG1 4.06Å; Y261-V282 HydrophobicContact CD1-CG2 4.28Å; Y261-V282 HydrophobicContact CD2-CB 3.85Å; Y261-V282 HydrophobicContact CD2-CG1 3.82Å; Y261-V282 HydrophobicContact CD2-CG2 3.97Å; Y261-V282 HydrophobicContact CE1-CG1 3.89Å; Y261-V282 HydrophobicContact CE2-CB 4.1Å; Y261-V282 HydrophobicContact CE2-CG1 3.65Å; Y261-V282 HydrophobicContact CG-CB 4.14Å; Y261-V282 HydrophobicContact CG-CG1 4.03Å; Y261-V282 HydrophobicContact CG-CG2 3.78Å; Y261-L286 HydrophobicContact CE2-CD1 4.46Å
262P98.8Very high98.4Very high4 Ų451.4 Ų51.43%0.02629%0.286CS..  trans-66.8154.5176.625.9-33.4000111.7V215 L254 F256 C264 D267V215-P262 WeakPolarHBondContact CB-O 3.32Å; V215-P262 HydrophobicContact CG2-CG 4.33Å; L254-P262 HydrophobicContact CB-CG 4.23Å; L254-P262 WeakPolarHBondContact O-CD 3.38Å; F256-P262 HydrophobicContact CE1-CB 4.33Å; F256-P262 VanDerWaalsContact CE2-CA 3.44Å; F256-P262 HydrophobicContact CE2-CB 3.83Å; F256-P262 HydrophobicContact CE2-CG 4.45Å; F256-P262 VanDerWaalsContact CE2-N 3.33Å; F256-P262 HydrophobicContact CZ-CB 3.53Å; F256-P262 HydrophobicContact CZ-CG 4.26Å; P262-C264 WeakPolarHBondContact CB-O 3.36Å; P262-D267 HydrophobicContact CB-CB 3.91Å
263P98.5Very high98.4Very high17 Ų1750.7 Ų50.711%0.1128%0.281CS..SBendtrans-63.2-44.5171.3-21.433.9000112.5V215 L272 H277V215-P263 PolarHBondContact N-O 3.45Å; P263-L272 HydrophobicContact CB-CD1 4.39Å; P263-L272 HydrophobicContact CG-CD1 3.79Å; P263-L272 HydrophobicContact CG-CG 4.26Å; P263-H277 HydrophobicContact CB-CB 4.26Å
264C98.8Very high98.4Very high9 Ų944 Ų446%0.06125%0.25CC..BIsolated β-bridgetrans-131.2157.4-179.5-60.70000111.6Y213 Y214 P262 G266 D267Y213-C264 CarbonylContact O-C 3.49Å; Y213-C264 VanDerWaalsContact O-CA 3.3Å; Y213-C264 WeakPolarHBondContact O-CA 3.28Å; Y214-C264 VanDerWaalsContact CD1-SG 3.51Å; P262-C264 WeakPolarHBondContact CB-O 3.36Å; C264-G266 PolarHBondContact O-N 3.24Å; C264-D267 PolarHBondContact N-OD2 3.39Å; C264-D267 WeakPolarHBondContact O-CB 3.45Å; C264-D267 PolarHBondContact O-N 2.89Å; C264-D267 VanDerWaalsContact O-N 3.16Å
265I98.8Very high98.4Very high34 Ų3442.4 Ų42.417%0.17424%0.242CC..THydrogen-bonded Turntrans-58.4128.2172.4-60.5175.4000109.5F199 M206 Y213 V215 L221 Y250 L254F199-I265 HydrophobicContact CZ-CD1 4.46Å; M206-I265 HydrophobicContact CE-CD1 3.98Å; M206-I265 HydrophobicContact SD-CD1 3.83Å; Y213-I265 HydrophobicContact CD2-CB 4.47Å; Y213-I265 HydrophobicContact CD2-CD1 4.44Å; Y213-I265 HydrophobicContact CG-CD1 4.09Å; Y213-I265 PolarHBondContact O-N 3.04Å; V215-I265 HydrophobicContact CG2-CG1 4.13Å; L221-I265 HydrophobicContact CD1-CD1 4.26Å; Y250-I265 HydrophobicContact CE1-CD1 3.71Å; Y250-I265 HydrophobicContact CE1-CG1 4.43Å; L254-I265 HydrophobicContact CD1-CG1 3.93Å
266G97.7Very high98.4Very high73 Ų7340.1 Ų40.175%0.75323%0.233SC*.THydrogen-bonded Turntrans92.7-9.5179.400000114.6C264C264-G266 PolarHBondContact O-N 3.24Å
267D97.4Very high98.4Very high35 Ų3540.1 Ų40.119%0.18723%0.233CC..  trans-67.3134.4170.4-99.6-38.7000110.8F256 P262 C264 R269F256-D267 WeakPolarHBondContact CE1-O 3.44Å; F256-D267 WeakPolarHBondContact CZ-O 3.27Å; P262-D267 HydrophobicContact CB-CB 3.91Å; C264-D267 PolarHBondContact N-OD2 3.39Å; C264-D267 WeakPolarHBondContact O-CB 3.45Å; C264-D267 PolarHBondContact O-N 2.89Å; C264-D267 VanDerWaalsContact O-N 3.16Å; D267-R269 IonicContact OD1-CZ 3.15Å; D267-R269 IonicContact OD1-NE 3.81Å; D267-R269 IonicContact OD1-NH2 2.86Å; D267-R269 PolarHBondContact OD1-NH2 3.14Å; D267-R269 IonicContact OD2-NH2 2.76Å
268N96.9Very high98.4Very high137 Ų13733.3 Ų33.373%0.73319%0.189SC*.  trans-1094.3176.961.69.9000113.3D270N268-D270 PolarHBondContact O-N 3.33Å
269R96.6Very high98.4Very high153 Ų15331 Ų3158%0.57717%0.172SC*.  trans-92.497.7-176-69.2172.7-65.3174.10.8111.1D267 L271D267-R269 IonicContact OD1-CZ 3.15Å; D267-R269 IonicContact OD1-NE 3.81Å; D267-R269 IonicContact OD1-NH2 2.86Å; D267-R269 PolarHBondContact OD1-NH2 3.14Å; D267-R269 IonicContact OD2-NH2 2.76Å; R269-L271 HydrophobicContact CB-CD1 4.22Å; R269-L271 HydrophobicContact CB-CG 4.43Å; R269-L271 PolarHBondContact O-N 3.1Å
270D98.3Very high98.4Very high37 Ų3730.8 Ų30.820%0.19817%0.17CC..  trans-80.885.4176.6-170.64.5000112.4M1 F256 S258 N260 N268M1-D270 VanDerWaalsContact CE-OD2 3.26Å; M1-D270 WeakPolarHBondContact CE-OD2 3.43Å; M1-D270 WeakPolarHBondContact CG-O 3.33Å; M1-D270 PolarHBondContact N-O 2.99Å; F256-D270 HydrophobicContact CD2-CB 3.69Å; F256-D270 HydrophobicContact CE2-CB 3.83Å; F256-D270 HydrophobicContact CG-CB 4.07Å; F256-D270 HydrophobicContact CZ-CB 4.34Å; S258-D270 WeakPolarHBondContact CB-OD2 3.42Å; S258-D270 PolarHBondContact OG-OD2 3.22Å; N260-D270 WeakPolarHBondContact CB-OD1 3.47Å; N260-D270 PolarHBondContact ND2-OD1 3.45Å; N268-D270 PolarHBondContact O-N 3.33Å
271L97.9Very high98.4Very high58 Ų5830.8 Ų30.830%0.30417%0.17SC..  trans-132.8-41-170.9-67.4177.2000115R269R269-L271 HydrophobicContact CB-CD1 4.22Å; R269-L271 HydrophobicContact CB-CG 4.43Å; R269-L271 PolarHBondContact O-N 3.1Å
272L98.7Very high98.4Very high37 Ų3730.7 Ų30.719%0.19417%0.17CC..  trans-89.9124.2-168.5-53.6-170.7000110.4N260 P263 H277N260-L272 PolarHBondContact ND2-O 3.33Å; N260-L272 PolarHBondContact OD1-O 3.13Å; P263-L272 HydrophobicContact CB-CD1 4.39Å; P263-L272 HydrophobicContact CG-CD1 3.79Å; P263-L272 HydrophobicContact CG-CG 4.26Å; L272-H277 CarbonylContact C-O 3.53Å; L272-H277 HydrophobicContact CB-CB 4.14Å; L272-H277 WeakPolarHBondContact CB-O 3.21Å; L272-H277 HydrophobicContact CD1-CB 3.77Å
273V98.9Very high98.4Very high3 Ų330.5 Ų30.52%0.01817%0.169CC..  trans-123.368.5176.3-1730000106.7M1 P280 V308 I309 L315 N328M1-V273 HydrophobicContact CB-CG2 4.33Å; M1-V273 HydrophobicContact CG-CG2 3.86Å; M1-V273 HydrophobicContact SD-CG2 3.87Å; V273-P280 VanDerWaalsContact C-CG 3.5Å; V273-P280 HydrophobicContact CG1-CG 3.78Å; V273-V308 HydrophobicContact CG1-CG1 4.4Å; V273-V308 HydrophobicContact CG2-CG1 4.41Å; V273-I309 HydrophobicContact CG1-CG1 4.27Å; V273-L315 HydrophobicContact CB-CD2 4.39Å; V273-N328 PolarHBondContact O-ND2 3.48Å; V273-N328 PolarHBondContact O-OD1 3Å
274H98.9Very high98.5Very high8 Ų829.7 Ų29.74%0.03716%0.164CC..SBendtrans-126.3162.4-175.1-51.5155.5000111.1C276 H277 P280 G281 L315 H323H274-C276 VanDerWaalsContact C-N 3.32Å; H274-C276 VanDerWaalsContact CB-SG 3.57Å; H274-H277 PolarHBondContact N-O 3.08Å; H274-H277 CarbonylContact O-C 3.29Å; H274-P280 WeakPolarHBondContact O-CD 3.32Å; H274-G281 PolarHBondContact O-N 3.25Å; H274-L315 VanDerWaalsContact CD2-CD1 3.43Å; H274-L315 WeakPolarHBondContact CD2-CD1 3.44Å; H274-H323 HydrophobicContact CB-CB 3.72Å; H274-H323 VanDerWaalsContact CG-CB 3.4Å
275W98.9Very high98.5Very high0 Ų029.3 Ų29.30%016%0.161CC..SBendtrans-61.7-43.1166.5168.381.1000111L107 L152 A217 A218 H277 G281 Y284 C322 F373 F394 F397L107-W275 HydrophobicContact CD1-CH2 4.36Å; L152-W275 HydrophobicContact CD2-CH2 4.2Å; L152-W275 HydrophobicContact CD2-CZ3 4.45Å; A217-W275 HydrophobicContact CB-CZ2 4.48Å; A217-W275 WeakPolarHBondContact CB-O 3.28Å; A218-W275 HydrophobicContact CB-CE3 4.33Å; A218-W275 HydrophobicContact CB-CH2 4.1Å; A218-W275 HydrophobicContact CB-CZ3 3.8Å; W275-H277 PolarHBondContact O-N 2.77Å; W275-G281 WeakPolarHBondContact O-CA 3.49Å; W275-Y284 AromaticContact CD1-CE2 3.94Å; W275-C322 HydrophobicContact CE3-CB 4.45Å; W275-C322 PolarHBondContact N-O 3.31Å; W275-F373 HydrophobicContact CE3-CE1 4.23Å; W275-F373 AromaticContact CH2-CE1 3.82Å; W275-F373 HydrophobicContact CH2-CE1 3.82Å; W275-F373 HydrophobicContact CZ2-CE1 4.45Å; W275-F373 HydrophobicContact CZ3-CD1 4.03Å; W275-F373 AromaticContact CZ3-CE1 3.69Å; W275-F373 HydrophobicContact CZ3-CE1 3.69Å; W275-F394 HydrophobicContact CB-CE2 4.03Å; W275-F394 HydrophobicContact CB-CZ 3.98Å; W275-F394 AromaticContact CD1-CE2 3.89Å; W275-F394 AromaticContact CD1-CZ 3.74Å; W275-F394 AromaticContact CD2-CE1 3.95Å; W275-F394 HydrophobicContact CD2-CE1 3.95Å; W275-F394 HydrophobicContact CD2-CE2 4.47Å; W275-F394 AromaticContact CD2-CZ 3.66Å; W275-F394 HydrophobicContact CD2-CZ 3.66Å; W275-F394 AromaticContact CE2-CE1 3.78Å; W275-F394 AromaticContact CE2-CZ 3.98Å; W275-F394 HydrophobicContact CE3-CZ 4.25Å; W275-F394 HydrophobicContact CG-CE1 4.13Å; W275-F394 AromaticContact CG-CE2 3.86Å; W275-F394 HydrophobicContact CG-CE2 3.86Å; W275-F394 AromaticContact CG-CZ 3.51Å; W275-F394 HydrophobicContact CG-CZ 3.51Å; W275-F394 HydrophobicContact CZ2-CE1 4.25Å; W275-F394 AromaticContact NE1-CE1 3.85Å; W275-F394 AromaticContact NE1-CZ 3.99Å; W275-F397 HydrophobicContact CZ2-CB 3.92Å; W275-F397 AromaticContact CZ2-CD2 3.7Å; W275-F397 HydrophobicContact CZ2-CD2 3.7Å; W275-F397 HydrophobicContact CZ2-CE2 4.36Å; W275-F397 AromaticContact CZ2-CG 3.78Å; W275-F397 HydrophobicContact CZ2-CG 3.78Å; W275-F397 AromaticContact NE1-CD1 3.47Å; W275-F397 AromaticContact NE1-CE1 3.78Å; W275-F397 AromaticContact NE1-CG 3.63Å
276C98.7Very high98.5Very high9 Ų927.7 Ų27.76%0.06115%0.153CC..SBendtrans-64.2-39.5179.955.10000113.6A217 A218 H274 C322A217-C276 PolarHBondContact N-O 3.48Å; A218-C276 HydrophobicContact CB-CB 3.55Å; H274-C276 VanDerWaalsContact C-N 3.32Å; H274-C276 VanDerWaalsContact CB-SG 3.57Å; C276-C322 PolarHBondContact N-O 3.28Å; C276-C322 VanDerWaalsContact N-O 3.16Å
277H98.8Very high98.5Very high30 Ų3024.3 Ų24.314%0.13912%0.117CC..SBendtrans-145.1119.6-178.2-53.6-73.8000111.1Y214 P263 L272 H274 W275Y214-H277 AromaticContact CD1-CE1 3.5Å; Y214-H277 VanDerWaalsContact CD1-CE1 3.5Å; Y214-H277 WeakPolarHBondContact CD1-CE1 3.47Å; Y214-H277 AromaticContact CD1-ND1 3.93Å; Y214-H277 AromaticContact CE1-CE1 3.54Å; P263-H277 HydrophobicContact CB-CB 4.26Å; L272-H277 CarbonylContact C-O 3.53Å; L272-H277 HydrophobicContact CB-CB 4.14Å; L272-H277 WeakPolarHBondContact CB-O 3.21Å; L272-H277 HydrophobicContact CD1-CB 3.77Å; H274-H277 PolarHBondContact N-O 3.08Å; H274-H277 CarbonylContact O-C 3.29Å; W275-H277 PolarHBondContact O-N 2.77Å
278G98.9Very high98.6Very high0 Ų023.3 Ų23.30%011%0.111CC..SBendtrans116.2-171.6177.200000113.8N260 G281 V282N260-G278 WeakPolarHBondContact OD1-CA 3.5Å; G278-G281 PolarHBondContact O-N 3.19Å; G278-G281 VanDerWaalsContact O-N 3.08Å; G278-V282 WeakPolarHBondContact O-CG2 3.11Å; G278-V282 PolarHBondContact O-N 3.49Å; G278-V282 VanDerWaalsContact O-N 3.14Å
279A98.9Very high98.7Very high0 Ų016.8 Ų16.80%08%0.077CC..Hα-helixtrans-49.4-42.7-17700000114.9N260 G281 V282 I283 C305 V308 I309N260-A279 PolarHBondContact OD1-N 3.04Å; A279-G281 PolarHBondContact O-N 3.35Å; A279-V282 PolarHBondContact O-N 3.42Å; A279-I283 WeakPolarHBondContact O-CB 3.49Å; A279-I283 PolarHBondContact O-N 3.22Å; A279-C305 HydrophobicContact CB-CB 3.98Å; A279-V308 HydrophobicContact CB-CB 4.48Å; A279-V308 HydrophobicContact CB-CG1 4.27Å; A279-I309 HydrophobicContact CB-CD1 4.4Å; A279-I309 HydrophobicContact CB-CG1 4.24Å
280P98.9Very high98.8Very high0 Ų011.7 Ų11.70%06%0.058CC..Hα-helixtrans-61.8-26-179.6-15.823.2000114.3V273 H274 I283 Y284 I309 N328V273-P280 VanDerWaalsContact C-CG 3.5Å; V273-P280 HydrophobicContact CG1-CG 3.78Å; H274-P280 WeakPolarHBondContact O-CD 3.32Å; P280-I283 WeakPolarHBondContact O-CG2 3.21Å; P280-Y284 WeakPolarHBondContact O-CE2 3.23Å; P280-I309 HydrophobicContact CB-CD1 3.99Å; P280-I309 HydrophobicContact CB-CG1 4.44Å; P280-I309 HydrophobicContact CG-CD1 3.95Å; P280-I309 HydrophobicContact CG-CG1 3.86Å; P280-N328 WeakPolarHBondContact CB-OD1 3.41Å; P280-N328 WeakPolarHBondContact CG-OD1 3.34Å
281G98.9Very high98.8Very high0 Ų013.8 Ų13.80%07%0.065CC..Hα-helixtrans-88.3-37.5173.200000113.4H274 W275 G278 A279 I283 Y284H274-G281 PolarHBondContact O-N 3.25Å; W275-G281 WeakPolarHBondContact O-CA 3.49Å; G278-G281 PolarHBondContact O-N 3.19Å; G278-G281 VanDerWaalsContact O-N 3.08Å; A279-G281 PolarHBondContact O-N 3.35Å; G281-I283 VanDerWaalsContact C-N 3.31Å; G281-I283 PolarHBondContact O-N 3.09Å; G281-Y284 WeakPolarHBondContact O-CD2 3.21Å
282V99Very high98.9Very high0 Ų013 Ų130%06%0.063CC..Hα-helixtrans-70.5-29.5-175.8177.30000112.1A222 Y261 G278 A279 Y284 M285 L286A222-V282 HydrophobicContact CB-CB 4.39Å; A222-V282 HydrophobicContact CB-CG2 3.98Å; Y261-V282 HydrophobicContact CD1-CG1 4.06Å; Y261-V282 HydrophobicContact CD1-CG2 4.28Å; Y261-V282 HydrophobicContact CD2-CB 3.85Å; Y261-V282 HydrophobicContact CD2-CG1 3.82Å; Y261-V282 HydrophobicContact CD2-CG2 3.97Å; Y261-V282 HydrophobicContact CE1-CG1 3.89Å; Y261-V282 HydrophobicContact CE2-CB 4.1Å; Y261-V282 HydrophobicContact CE2-CG1 3.65Å; Y261-V282 HydrophobicContact CG-CB 4.14Å; Y261-V282 HydrophobicContact CG-CG1 4.03Å; Y261-V282 HydrophobicContact CG-CG2 3.78Å; G278-V282 WeakPolarHBondContact O-CG2 3.11Å; G278-V282 PolarHBondContact O-N 3.49Å; G278-V282 VanDerWaalsContact O-N 3.14Å; A279-V282 PolarHBondContact O-N 3.42Å; V282-Y284 PolarHBondContact O-N 3.19Å; V282-Y284 VanDerWaalsContact O-N 3.13Å; V282-M285 HydrophobicContact CG1-CE 4.16Å; V282-M285 WeakPolarHBondContact O-CB 3.45Å; V282-M285 PolarHBondContact O-N 3.38Å; V282-L286 HydrophobicContact CG1-CD1 4.09Å; V282-L286 HydrophobicContact CG1-CG 4.15Å; V282-L286 PolarHBondContact O-N 3.36Å
283I98.9Very high98.9Very high0 Ų012.2 Ų12.20%06%0.058CC..Hα-helixtrans-55.4-33.4-177.6-161.5174000114.1A279 P280 G281 L286 I287 A302 C305 A331A279-I283 WeakPolarHBondContact O-CB 3.49Å; A279-I283 PolarHBondContact O-N 3.22Å; P280-I283 WeakPolarHBondContact O-CG2 3.21Å; G281-I283 VanDerWaalsContact C-N 3.31Å; G281-I283 PolarHBondContact O-N 3.09Å; I283-L286 PolarHBondContact O-N 2.87Å; I283-I287 HydrophobicContact CD1-CD1 4.21Å; I283-I287 HydrophobicContact CG1-CD1 3.8Å; I283-I287 HydrophobicContact CG1-CG1 4.3Å; I283-I287 WeakPolarHBondContact O-CB 3.38Å; I283-I287 WeakPolarHBondContact O-CG1 3.45Å; I283-I287 PolarHBondContact O-N 3.28Å; I283-A302 HydrophobicContact CG1-CB 4.05Å; I283-C305 HydrophobicContact CB-CB 4.05Å; I283-C305 HydrophobicContact CD1-CB 3.91Å; I283-C305 HydrophobicContact CG1-CB 3.97Å; I283-A331 HydrophobicContact CD1-CB 4.1Å; I283-A331 HydrophobicContact CG2-CB 3.84Å
284Y98.9Very high98.9Very high1 Ų119.9 Ų19.90%0.0049%0.086CC..Hα-helixtrans-65.1-41.5178.1-62.3-93.4000111.9Y226 W275 P280 G281 V282 L286 Q288 Y330 T334 F394 F397 E398Y226-Y284 VanDerWaalsContact CD2-O 3.28Å; Y226-Y284 WeakPolarHBondContact CD2-O 3.08Å; W275-Y284 AromaticContact CD1-CE2 3.94Å; P280-Y284 WeakPolarHBondContact O-CE2 3.23Å; G281-Y284 WeakPolarHBondContact O-CD2 3.21Å; V282-Y284 PolarHBondContact O-N 3.19Å; V282-Y284 VanDerWaalsContact O-N 3.13Å; Y284-L286 VanDerWaalsContact C-N 3.35Å; Y284-Q288 VanDerWaalsContact O-CB 3.28Å; Y284-Q288 WeakPolarHBondContact O-CB 3.17Å; Y284-Q288 PolarHBondContact O-N 3.41Å; Y284-Y330 WeakPolarHBondContact OH-CB 3.48Å; Y284-T334 HydrophobicContact CD1-CG2 3.95Å; Y284-T334 HydrophobicContact CE1-CG2 4.13Å; Y284-T334 WeakPolarHBondContact CE1-OG1 3.45Å; Y284-F394 HydrophobicContact CE1-CB 4.13Å; Y284-F394 VanDerWaalsContact OH-CB 3.24Å; Y284-F394 WeakPolarHBondContact OH-CB 3.18Å; Y284-F394 VanDerWaalsContact OH-CD2 3.28Å; Y284-F394 WeakPolarHBondContact OH-CD2 3.37Å; Y284-F397 HydrophobicContact CD1-CD1 4.28Å; Y284-F397 AromaticContact CD1-CE1 3.89Å; Y284-F397 HydrophobicContact CD1-CE1 3.89Å; Y284-F397 HydrophobicContact CD2-CD1 4.35Å; Y284-F397 AromaticContact CD2-CE1 3.65Å; Y284-F397 HydrophobicContact CD2-CE1 3.65Å; Y284-F397 HydrophobicContact CE1-CD1 4.39Å; Y284-F397 HydrophobicContact CE1-CE1 4.39Å; Y284-F397 HydrophobicContact CE2-CD1 4.46Å; Y284-F397 HydrophobicContact CE2-CE1 4.17Å; Y284-F397 HydrophobicContact CG-CD1 4.28Å; Y284-F397 AromaticContact CG-CE1 3.5Å; Y284-F397 HydrophobicContact CG-CE1 3.5Å; Y284-F397 HydrophobicContact CG-CZ 4.45Å; Y284-E398 HydrophobicContact CD1-CB 4.5Å; Y284-E398 HydrophobicContact CD1-CG 4.14Å; Y284-E398 HydrophobicContact CE1-CB 4.18Å; Y284-E398 HydrophobicContact CE1-CG 4.06Å
285M98.9Very high98.9Very high0 Ų022.6 Ų22.60%010%0.099CC..Hα-helixtrans-60.9-45.5173.7-175.6-159.669.500110.5A222 Y225 M229 V248 V251 V282 Q288 A289A222-M285 HydrophobicContact CB-CB 4.16Å; A222-M285 HydrophobicContact CB-SD 4.28Å; Y225-M285 HydrophobicContact CD2-SD 4.14Å; M229-M285 HydrophobicContact CE-CG 3.73Å; M229-M285 WeakPolarHBondContact CE-O 3.34Å; V248-M285 HydrophobicContact CB-SD 4.46Å; V248-M285 HydrophobicContact CG1-CE 3.96Å; V248-M285 HydrophobicContact CG1-CG 4.4Å; V248-M285 HydrophobicContact CG1-SD 4.08Å; V248-M285 HydrophobicContact CG2-CG 4.34Å; V248-M285 HydrophobicContact CG2-SD 4.16Å; V251-M285 HydrophobicContact CB-CE 4.05Å; V251-M285 HydrophobicContact CB-SD 4.18Å; V251-M285 HydrophobicContact CG1-CE 3.75Å; V251-M285 HydrophobicContact CG1-SD 4.06Å; V282-M285 HydrophobicContact CG1-CE 4.16Å; V282-M285 WeakPolarHBondContact O-CB 3.45Å; V282-M285 PolarHBondContact O-N 3.38Å; M285-Q288 PolarHBondContact O-N 3.03Å; M285-A289 VanDerWaalsContact O-CB 3.28Å; M285-A289 WeakPolarHBondContact O-CB 3.29Å; M285-A289 PolarHBondContact O-N 3.32Å
286L99Very high98.9Very high0 Ų027.7 Ų27.70%012%0.123CC..Hα-helixtrans-63.6-47-178.7-62.8171000111.9Y261 V282 I283 Y284 Q288 A289 Y290 D301 A302Y261-L286 HydrophobicContact CE2-CD1 4.46Å; V282-L286 HydrophobicContact CG1-CD1 4.09Å; V282-L286 HydrophobicContact CG1-CG 4.15Å; V282-L286 PolarHBondContact O-N 3.36Å; I283-L286 PolarHBondContact O-N 2.87Å; Y284-L286 VanDerWaalsContact C-N 3.35Å; L286-Q288 VanDerWaalsContact C-N 3.33Å; L286-Q288 PolarHBondContact O-N 3.47Å; L286-A289 PolarHBondContact O-N 3.03Å; L286-Y290 PolarHBondContact O-N 3.21Å; L286-D301 HydrophobicContact CD1-CB 3.79Å; L286-D301 HydrophobicContact CD2-CB 3.91Å; L286-D301 HydrophobicContact CG-CB 4.41Å; L286-A302 HydrophobicContact CB-CB 4.18Å
287I98.9Very high98.9Very high3 Ų331.4 Ų31.42%0.01514%0.138CC..Hα-helixtrans-63.1-41.7177.4-74170.9000110.8I283 Y290 K291 A302 T334 L335 L338I283-I287 HydrophobicContact CD1-CD1 4.21Å; I283-I287 HydrophobicContact CG1-CD1 3.8Å; I283-I287 HydrophobicContact CG1-CG1 4.3Å; I283-I287 WeakPolarHBondContact O-CB 3.38Å; I283-I287 WeakPolarHBondContact O-CG1 3.45Å; I283-I287 PolarHBondContact O-N 3.28Å; I287-Y290 PolarHBondContact O-N 3.37Å; I287-K291 HydrophobicContact CG2-CD 4.39Å; I287-K291 WeakPolarHBondContact O-CG 3.27Å; I287-K291 PolarHBondContact O-N 3.49Å; I287-A302 HydrophobicContact CG1-CB 3.89Å; I287-T334 HydrophobicContact CD1-CG2 3.61Å; I287-T334 HydrophobicContact CG2-CG2 4.17Å; I287-L335 HydrophobicContact CD1-CB 4.05Å; I287-L335 HydrophobicContact CD1-CD1 4.07Å; I287-L335 HydrophobicContact CG1-CD1 4.37Å; I287-L338 HydrophobicContact CG1-CD2 4.33Å; I287-L338 HydrophobicContact CG2-CB 4.38Å; I287-L338 HydrophobicContact CG2-CD2 4.06Å
288Q98.9Very high98.9Very high13 Ų1330 Ų306%0.06113%0.132CC..Hα-helixtrans-66.9-40.6176.2-173.163.121.400111.9Y226 M229 Y284 M285 L286 Y290 K291 V292Y226-Q288 HydrophobicContact CD2-CB 3.66Å; Y226-Q288 HydrophobicContact CD2-CG 4.13Å; Y226-Q288 HydrophobicContact CE2-CB 3.98Å; Y226-Q288 HydrophobicContact CE2-CG 4.36Å; M229-Q288 HydrophobicContact CB-CG 3.56Å; M229-Q288 HydrophobicContact CE-CB 4.1Å; M229-Q288 HydrophobicContact CE-CG 4.18Å; M229-Q288 PolarHBondContact O-NE2 3.14Å; Y284-Q288 VanDerWaalsContact O-CB 3.28Å; Y284-Q288 WeakPolarHBondContact O-CB 3.17Å; Y284-Q288 PolarHBondContact O-N 3.41Å; M285-Q288 PolarHBondContact O-N 3.03Å; L286-Q288 VanDerWaalsContact C-N 3.33Å; L286-Q288 PolarHBondContact O-N 3.47Å; Q288-Y290 VanDerWaalsContact C-N 3.32Å; Q288-Y290 PolarHBondContact O-N 3.33Å; Q288-K291 PolarHBondContact O-N 3.17Å; Q288-V292 HydrophobicContact CG-CG2 4.5Å; Q288-V292 WeakPolarHBondContact O-CG2 3.5Å; Q288-V292 PolarHBondContact O-N 3.43Å
289A98.9Very high98.9Very high0 Ų030.5 Ų30.50%013%0.134CC..Hα-helixtrans-60.4-42.4174.800000111.3M229 V248 M285 L286 V292 F293 Y298M229-A289 HydrophobicContact CE-CB 4.04Å; M229-A289 HydrophobicContact SD-CB 3.87Å; V248-A289 HydrophobicContact CG1-CB 4.01Å; M285-A289 VanDerWaalsContact O-CB 3.28Å; M285-A289 WeakPolarHBondContact O-CB 3.29Å; M285-A289 PolarHBondContact O-N 3.32Å; L286-A289 PolarHBondContact O-N 3.03Å; A289-V292 PolarHBondContact O-N 2.93Å; A289-F293 HydrophobicContact CB-CD2 4.08Å; A289-F293 HydrophobicContact CB-CE2 4.45Å; A289-F293 WeakPolarHBondContact O-CB 3.41Å; A289-F293 WeakPolarHBondContact O-CD2 3.34Å; A289-F293 PolarHBondContact O-N 3.24Å; A289-Y298 HydrophobicContact CB-CD1 3.83Å; A289-Y298 HydrophobicContact CB-CD2 3.89Å; A289-Y298 HydrophobicContact CB-CE1 4.14Å; A289-Y298 HydrophobicContact CB-CE2 4.19Å; A289-Y298 HydrophobicContact CB-CG 3.71Å
290Y98.9Very high98.9Very high47 Ų4733.1 Ų33.118%0.18415%0.152CC..Hα-helixtrans-61.8-45.4173-179.5-102.1000112L286 I287 Q288 V292 R294 E295 L299 L338L286-Y290 PolarHBondContact O-N 3.21Å; I287-Y290 PolarHBondContact O-N 3.37Å; Q288-Y290 VanDerWaalsContact C-N 3.32Å; Q288-Y290 PolarHBondContact O-N 3.33Å; Y290-V292 VanDerWaalsContact C-N 3.27Å; Y290-V292 PolarHBondContact O-N 3.28Å; Y290-R294 WeakPolarHBondContact O-CA 3.36Å; Y290-R294 WeakPolarHBondContact O-CD 3.44Å; Y290-R294 PolarHBondContact O-N 3.02Å; Y290-E295 WeakPolarHBondContact CD2-O 3.37Å; Y290-L299 HydrophobicContact CD2-CB 3.6Å; Y290-L299 HydrophobicContact CE1-CD2 4.18Å; Y290-L299 HydrophobicContact CE2-CB 3.81Å; Y290-L299 HydrophobicContact CE2-CD2 4Å; Y290-L299 HydrophobicContact CG-CB 3.97Å; Y290-L338 HydrophobicContact CD1-CD1 4.2Å; Y290-L338 HydrophobicContact CD1-CD2 3.83Å; Y290-L338 HydrophobicContact CE1-CD1 4.49Å; Y290-L338 HydrophobicContact CE1-CD2 4.34Å
291K98.8Very high98.9Very high80 Ų8034.1 Ų34.135%0.34816%0.157SC..Hα-helixtrans-58.5-38178.4-74.6175.6-179.5178.50112.7I287 Q288 R294 L338I287-K291 HydrophobicContact CG2-CD 4.39Å; I287-K291 WeakPolarHBondContact O-CG 3.27Å; I287-K291 PolarHBondContact O-N 3.49Å; Q288-K291 PolarHBondContact O-N 3.17Å; K291-R294 PolarHBondContact O-NE 3.18Å; K291-R294 PolarHBondContact O-NH2 3.09Å; K291-L338 HydrophobicContact CD-CD1 4.34Å; K291-L338 HydrophobicContact CG-CD1 3.76Å
292V98.8Very high98.9Very high42 Ų4234.1 Ų34.126%0.25516%0.157SC..Hα-helixtrans-88-47.3-175.41760000112.5M229 L240 Q288 A289 Y290M229-V292 HydrophobicContact CB-CG2 4.3Å; L240-V292 HydrophobicContact CD1-CG1 4.43Å; Q288-V292 HydrophobicContact CG-CG2 4.5Å; Q288-V292 WeakPolarHBondContact O-CG2 3.5Å; Q288-V292 PolarHBondContact O-N 3.43Å; A289-V292 PolarHBondContact O-N 2.93Å; Y290-V292 VanDerWaalsContact C-N 3.27Å; Y290-V292 PolarHBondContact O-N 3.28Å
293F98.8Very high98.9Very high21 Ų2137.3 Ų37.39%0.09217%0.17CC..Hα-helixtrans-99.3-16.3-171.8-55.8-58000114M229 L240 H241 K245 A289 E295 Y298M229-F293 HydrophobicContact CG-CE2 4.34Å; M229-F293 HydrophobicContact CG-CZ 4.5Å; M229-F293 HydrophobicContact SD-CD2 4.3Å; M229-F293 HydrophobicContact SD-CE2 3.5Å; M229-F293 WeakPolarHBondContact SD-CE2 3.5Å; M229-F293 HydrophobicContact SD-CZ 4.2Å; L240-F293 HydrophobicContact CB-CE1 4.41Å; H241-F293 AromaticContact CE1-CD1 3.95Å; K245-F293 HydrophobicContact CB-CD1 4.48Å; K245-F293 HydrophobicContact CB-CE1 3.87Å; K245-F293 HydrophobicContact CB-CE2 3.97Å; K245-F293 HydrophobicContact CB-CZ 3.59Å; K245-F293 HydrophobicContact CD-CD1 3.89Å; K245-F293 HydrophobicContact CD-CD2 4.5Å; K245-F293 HydrophobicContact CD-CE1 4.06Å; K245-F293 HydrophobicContact CD-CG 4.14Å; K245-F293 HydrophobicContact CD-CZ 4.45Å; K245-F293 HydrophobicContact CG-CD1 4.21Å; K245-F293 HydrophobicContact CG-CD2 4.09Å; K245-F293 HydrophobicContact CG-CE1 4.08Å; K245-F293 HydrophobicContact CG-CE2 3.94Å; K245-F293 HydrophobicContact CG-CG 4.23Å; K245-F293 HydrophobicContact CG-CZ 3.95Å; A289-F293 HydrophobicContact CB-CD2 4.08Å; A289-F293 HydrophobicContact CB-CE2 4.45Å; A289-F293 WeakPolarHBondContact O-CB 3.41Å; A289-F293 WeakPolarHBondContact O-CD2 3.34Å; A289-F293 PolarHBondContact O-N 3.24Å; F293-E295 PolarHBondContact O-N 3.04Å; F293-Y298 HydrophobicContact CB-CD2 4.43Å; F293-Y298 HydrophobicContact CB-CE2 3.81Å; F293-Y298 AromaticContact CD2-CE2 3.93Å; F293-Y298 HydrophobicContact CD2-CE2 3.93Å; F293-Y298 HydrophobicContact CG-CE2 4.3Å
294R98.6Very high98.9Very high163 Ų16341.4 Ų41.462%0.61519%0.189SC*.  trans55.633.7175.5-56.9-68.7172.4172.14.1114.4Y290 K291Y290-R294 WeakPolarHBondContact O-CA 3.36Å; Y290-R294 WeakPolarHBondContact O-CD 3.44Å; Y290-R294 PolarHBondContact O-N 3.02Å; K291-R294 PolarHBondContact O-NE 3.18Å; K291-R294 PolarHBondContact O-NH2 3.09Å
295E98.8Very high98.9Very high66 Ų6641.4 Ų41.431%0.30819%0.189SC..  trans-99.5126.9173.7-67.8177.5-159.100110.9K245 Y290 F293 K297 Y298K245-E295 WeakPolarHBondContact CE-OE1 3.34Å; K245-E295 VanDerWaalsContact NZ-CD 3.27Å; K245-E295 IonicContact NZ-OE1 2.77Å; K245-E295 PolarHBondContact NZ-OE1 2.94Å; K245-E295 IonicContact NZ-OE2 3.57Å; K245-E295 PolarHBondContact NZ-OE2 3.12Å; K245-E295 VanDerWaalsContact NZ-OE2 3.08Å; Y290-E295 WeakPolarHBondContact CD2-O 3.37Å; F293-E295 PolarHBondContact O-N 3.04Å; E295-K297 HydrophobicContact CB-CG 4.24Å; E295-K297 PolarHBondContact O-N 3.08Å; E295-K297 VanDerWaalsContact O-N 3.11Å; E295-K297 WeakPolarHBondContact OE2-CE 3.15Å; E295-K297 IonicContact OE2-NZ 3.51Å; E295-K297 PolarHBondContact OE2-NZ 3.39Å; E295-Y298 HydrophobicContact CB-CD2 3.83Å; E295-Y298 HydrophobicContact CB-CE2 3.78Å; E295-Y298 HydrophobicContact CG-CE2 4.34Å; E295-Y298 WeakPolarHBondContact O-CD2 3.3Å; E295-Y298 PolarHBondContact O-N 2.83Å; E295-Y298 VanDerWaalsContact O-N 3.13Å
296E98.7Very high98.9Very high107 Ų10741.4 Ų41.450%0.519%0.189SC..Hα-helixtrans-56.9-32.1-173.4-165.256.7-151.400113.5Y298 L299 C300E296-Y298 PolarHBondContact O-N 2.62Å; E296-Y298 VanDerWaalsContact O-N 3.13Å; E296-L299 PolarHBondContact O-N 2.9Å; E296-C300 PolarHBondContact O-N 3.31Å; E296-C300 PolarHBondContact O-SG 3.03Å; E296-C300 VanDerWaalsContact O-SG 3.36Å
297K98.8Very high98.9Very high87 Ų8744.7 Ų44.738%0.37821%0.206SC..Hα-helixtrans-53-36.8178.674.5-170.3-166.2-165.50113.2D249 E295 D301D249-K297 VanDerWaalsContact CG-NZ 3.35Å; D249-K297 WeakPolarHBondContact OD1-CE 3.32Å; D249-K297 IonicContact OD1-NZ 2.81Å; D249-K297 PolarHBondContact OD1-NZ 3.17Å; D249-K297 IonicContact OD2-NZ 3.87Å; D249-K297 PolarHBondContact OD2-NZ 3.08Å; D249-K297 VanDerWaalsContact OD2-NZ 3.13Å; E295-K297 HydrophobicContact CB-CG 4.24Å; E295-K297 PolarHBondContact O-N 3.08Å; E295-K297 VanDerWaalsContact O-N 3.11Å; E295-K297 WeakPolarHBondContact OE2-CE 3.15Å; E295-K297 IonicContact OE2-NZ 3.51Å; E295-K297 PolarHBondContact OE2-NZ 3.39Å; K297-D301 PolarHBondContact O-N 3.44Å
298Y98.9Very high98.9Very high1 Ų144.8 Ų44.80%0.00421%0.207CC..Hα-helixtrans-71.2-37.3179.8-59.1-54.4000111.6K245 V248 D249 A289 F293 E295 E296 A302K245-Y298 PolarHBondContact NZ-OH 2.87Å; K245-Y298 VanDerWaalsContact NZ-OH 3.13Å; V248-Y298 HydrophobicContact CG1-CE1 3.96Å; D249-Y298 WeakPolarHBondContact OD1-CE1 3.41Å; D249-Y298 VanDerWaalsContact OD1-CZ 3.26Å; D249-Y298 PolarHBondContact OD1-OH 3.16Å; D249-Y298 PolarHBondContact OD2-OH 3.42Å; A289-Y298 HydrophobicContact CB-CD1 3.83Å; A289-Y298 HydrophobicContact CB-CD2 3.89Å; A289-Y298 HydrophobicContact CB-CE1 4.14Å; A289-Y298 HydrophobicContact CB-CE2 4.19Å; A289-Y298 HydrophobicContact CB-CG 3.71Å; F293-Y298 HydrophobicContact CB-CD2 4.43Å; F293-Y298 HydrophobicContact CB-CE2 3.81Å; F293-Y298 AromaticContact CD2-CE2 3.93Å; F293-Y298 HydrophobicContact CD2-CE2 3.93Å; F293-Y298 HydrophobicContact CG-CE2 4.3Å; E295-Y298 HydrophobicContact CB-CD2 3.83Å; E295-Y298 HydrophobicContact CB-CE2 3.78Å; E295-Y298 HydrophobicContact CG-CE2 4.34Å; E295-Y298 WeakPolarHBondContact O-CD2 3.3Å; E295-Y298 PolarHBondContact O-N 2.83Å; E295-Y298 VanDerWaalsContact O-N 3.13Å; E296-Y298 PolarHBondContact O-N 2.62Å; E296-Y298 VanDerWaalsContact O-N 3.13Å; Y298-A302 PolarHBondContact O-N 2.85Å; Y298-A302 VanDerWaalsContact O-N 3.08Å
299L98.9Very high98.9Very high9 Ų944.1 Ų44.15%0.04720%0.204CC..Hα-helixtrans-71.6-40.6176.1-175.660.7000111.3Y290 E296 D301 A302 Y303 L335 L338 T339Y290-L299 HydrophobicContact CD2-CB 3.6Å; Y290-L299 HydrophobicContact CE1-CD2 4.18Å; Y290-L299 HydrophobicContact CE2-CB 3.81Å; Y290-L299 HydrophobicContact CE2-CD2 4Å; Y290-L299 HydrophobicContact CG-CB 3.97Å; E296-L299 PolarHBondContact O-N 2.9Å; L299-D301 VanDerWaalsContact C-N 3.3Å; L299-D301 PolarHBondContact O-N 3.21Å; L299-A302 WeakPolarHBondContact O-CB 3.18Å; L299-A302 PolarHBondContact O-N 2.92Å; L299-A302 VanDerWaalsContact O-N 3.12Å; L299-Y303 HydrophobicContact CD1-CE2 4.08Å; L299-Y303 HydrophobicContact CD2-CE2 3.91Å; L299-Y303 HydrophobicContact CG-CD2 4.09Å; L299-Y303 HydrophobicContact CG-CE2 3.56Å; L299-Y303 WeakPolarHBondContact O-CD2 3.38Å; L299-Y303 PolarHBondContact O-N 2.94Å; L299-L335 HydrophobicContact CD1-CD1 4.14Å; L299-L338 HydrophobicContact CD1-CD2 3.72Å; L299-T339 HydrophobicContact CD1-CG2 4.13Å
300C98.9Very high98.9Very high56 Ų5645.3 Ų45.338%0.37821%0.208SC..Hα-helixtrans-56.1-44.9172.8-65.40000111.9E296 A302 Y303 Q304E296-C300 PolarHBondContact O-N 3.31Å; E296-C300 PolarHBondContact O-SG 3.03Å; E296-C300 VanDerWaalsContact O-SG 3.36Å; C300-A302 VanDerWaalsContact C-N 3.33Å; C300-A302 PolarHBondContact O-N 2.87Å; C300-Y303 WeakPolarHBondContact O-CB 3.49Å; C300-Y303 PolarHBondContact O-N 3.16Å; C300-Q304 WeakPolarHBondContact O-CG 3.42Å; C300-Q304 PolarHBondContact O-N 3.15Å
301D98.9Very high98.9Very high20 Ų2048.1 Ų48.111%0.10722%0.223CC..Hα-helixtrans-66.6-35.5177.4-7814.9000111.8K255 L286 K297 L299 Q304 C305K255-D301 IonicContact NZ-OD1 2.79Å; K255-D301 PolarHBondContact NZ-OD1 3.43Å; K255-D301 IonicContact NZ-OD2 3.35Å; K255-D301 PolarHBondContact NZ-OD2 3.49Å; K255-D301 VanDerWaalsContact NZ-OD2 3.1Å; L286-D301 HydrophobicContact CD1-CB 3.79Å; L286-D301 HydrophobicContact CD2-CB 3.91Å; L286-D301 HydrophobicContact CG-CB 4.41Å; K297-D301 PolarHBondContact O-N 3.44Å; L299-D301 VanDerWaalsContact C-N 3.3Å; L299-D301 PolarHBondContact O-N 3.21Å; D301-Q304 PolarHBondContact O-N 3.21Å; D301-C305 PolarHBondContact O-N 2.8Å
302A98.9Very high98.9Very high0 Ų046.9 Ų46.90%022%0.217CC..Hα-helixtrans-65.2-38.4173.700000112.3I283 L286 I287 Y298 L299 C300 C305 A306 L335I283-A302 HydrophobicContact CG1-CB 4.05Å; L286-A302 HydrophobicContact CB-CB 4.18Å; I287-A302 HydrophobicContact CG1-CB 3.89Å; Y298-A302 PolarHBondContact O-N 2.85Å; Y298-A302 VanDerWaalsContact O-N 3.08Å; L299-A302 WeakPolarHBondContact O-CB 3.18Å; L299-A302 PolarHBondContact O-N 2.92Å; L299-A302 VanDerWaalsContact O-N 3.12Å; C300-A302 VanDerWaalsContact C-N 3.33Å; C300-A302 PolarHBondContact O-N 2.87Å; A302-C305 WeakPolarHBondContact O-CB 3.46Å; A302-C305 PolarHBondContact O-N 3.2Å; A302-A306 PolarHBondContact O-N 3.27Å; A302-L335 HydrophobicContact CB-CD1 4.21Å
303Y98.9Very high98.9Very high68 Ų6844.9 Ų44.927%0.26721%0.205SC..Hα-helixtrans-62.1-42.9171.9-70.8-46.1000112L299 C300 C305 A306 D307 L335 T339 Y344L299-Y303 HydrophobicContact CD1-CE2 4.08Å; L299-Y303 HydrophobicContact CD2-CE2 3.91Å; L299-Y303 HydrophobicContact CG-CD2 4.09Å; L299-Y303 HydrophobicContact CG-CE2 3.56Å; L299-Y303 WeakPolarHBondContact O-CD2 3.38Å; L299-Y303 PolarHBondContact O-N 2.94Å; C300-Y303 WeakPolarHBondContact O-CB 3.49Å; C300-Y303 PolarHBondContact O-N 3.16Å; Y303-C305 PolarHBondContact O-N 3.23Å; Y303-A306 WeakPolarHBondContact O-CB 3.32Å; Y303-A306 PolarHBondContact O-N 3.02Å; Y303-D307 PolarHBondContact O-N 3.41Å; Y303-L335 HydrophobicContact CD1-CD1 4.33Å; Y303-L335 HydrophobicContact CD1-CD2 3.84Å; Y303-L335 HydrophobicContact CE1-CD1 4.17Å; Y303-L335 HydrophobicContact CE1-CD2 4.18Å; Y303-L335 HydrophobicContact CE1-CG 4.41Å; Y303-T339 HydrophobicContact CE1-CG2 4.06Å; Y303-T339 WeakPolarHBondContact OH-CG2 3.22Å; Y303-Y344 HydrophobicContact CD1-CE2 4.06Å; Y303-Y344 AromaticContact CD1-CZ 3.61Å; Y303-Y344 WeakPolarHBondContact CD1-OH 3.04Å; Y303-Y344 AromaticContact CE1-CE2 3.64Å; Y303-Y344 HydrophobicContact CE1-CE2 3.64Å; Y303-Y344 AromaticContact CE1-CZ 3.7Å; Y303-Y344 VanDerWaalsContact CE1-OH 3.26Å; Y303-Y344 WeakPolarHBondContact CE1-OH 3.44Å
304Q98.9Very high98.9Very high86 Ų8644 Ų4440%0.40220%0.201SC..Hα-helixtrans-62.3-42.4175.1-71-177.4-26.700112.2C300 D301 A306 D307 V308C300-Q304 WeakPolarHBondContact O-CG 3.42Å; C300-Q304 PolarHBondContact O-N 3.15Å; D301-Q304 PolarHBondContact O-N 3.21Å; Q304-A306 VanDerWaalsContact C-N 3.32Å; Q304-A306 PolarHBondContact O-N 2.91Å; Q304-D307 PolarHBondContact O-N 2.89Å; Q304-V308 WeakPolarHBondContact O-CG2 3.29Å; Q304-V308 PolarHBondContact O-N 2.84Å
305C98.9Very high98.9Very high0 Ų036.4 Ų36.40%017%0.172CC..Hα-helixtrans-54.9-49.2171.5-78.20000111A279 I283 D301 A302 Y303 D307 V308 I309A279-C305 HydrophobicContact CB-CB 3.98Å; I283-C305 HydrophobicContact CB-CB 4.05Å; I283-C305 HydrophobicContact CD1-CB 3.91Å; I283-C305 HydrophobicContact CG1-CB 3.97Å; D301-C305 PolarHBondContact O-N 2.8Å; A302-C305 WeakPolarHBondContact O-CB 3.46Å; A302-C305 PolarHBondContact O-N 3.2Å; Y303-C305 PolarHBondContact O-N 3.23Å; C305-D307 VanDerWaalsContact C-N 3.29Å; C305-D307 PolarHBondContact O-N 3.37Å; C305-V308 PolarHBondContact O-N 3.11Å; C305-I309 WeakPolarHBondContact O-CD1 3.42Å; C305-I309 WeakPolarHBondContact O-CG1 3.42Å; C305-I309 PolarHBondContact O-N 3.26Å
306A98.9Very high98.9Very high0 Ų038 Ų380%018%0.179CC..Hα-helixtrans-60.8-36.5179.900000112.6A302 Y303 Q304 I309 W310 F332 L335 Y344 R347A302-A306 PolarHBondContact O-N 3.27Å; Y303-A306 WeakPolarHBondContact O-CB 3.32Å; Y303-A306 PolarHBondContact O-N 3.02Å; Q304-A306 VanDerWaalsContact C-N 3.32Å; Q304-A306 PolarHBondContact O-N 2.91Å; A306-I309 PolarHBondContact O-N 3.5Å; A306-W310 VanDerWaalsContact O-CB 3.28Å; A306-W310 WeakPolarHBondContact O-CB 3.24Å; A306-W310 PolarHBondContact O-N 2.91Å; A306-F332 HydrophobicContact CB-CD1 4.23Å; A306-F332 HydrophobicContact CB-CE1 4.17Å; A306-F332 WeakPolarHBondContact O-CE1 3.42Å; A306-L335 HydrophobicContact CB-CD2 3.6Å; A306-Y344 HydrophobicContact CB-CD1 4.1Å; A306-Y344 HydrophobicContact CB-CE1 3.7Å; A306-R347 PolarHBondContact O-NH1 3.12Å
307D98.9Very high98.9Very high69 Ų6935.5 Ų35.537%0.36917%0.166SC..Hα-helixtrans-70.5-39.8176.3-72.3-26.3000112.8Y303 Q304 C305 I309 W310 Q311 R347Y303-D307 PolarHBondContact O-N 3.41Å; Q304-D307 PolarHBondContact O-N 2.89Å; C305-D307 VanDerWaalsContact C-N 3.29Å; C305-D307 PolarHBondContact O-N 3.37Å; D307-I309 VanDerWaalsContact C-N 3.33Å; D307-I309 PolarHBondContact O-N 3.44Å; D307-W310 PolarHBondContact O-N 2.91Å; D307-Q311 WeakPolarHBondContact O-CB 3.36Å; D307-Q311 PolarHBondContact O-N 3.28Å; D307-R347 IonicContact OD1-CZ 3.29Å; D307-R347 IonicContact OD1-NH1 2.74Å; D307-R347 PolarHBondContact OD1-NH1 2.85Å; D307-R347 IonicContact OD1-NH2 2.96Å; D307-R347 PolarHBondContact OD1-NH2 3.36Å
308V98.9Very high98.8Very high5 Ų531.6 Ų31.63%0.0315%0.15CC..Hα-helixtrans-58.5-46.5171.7170.30000110.9M1 S258 N260 V273 A279 Q304 C305 W310 Q311 Y312M1-V308 HydrophobicContact SD-CG1 4.08Å; S258-V308 WeakPolarHBondContact O-CG2 3.5Å; N260-V308 HydrophobicContact CB-CG1 4.06Å; V273-V308 HydrophobicContact CG1-CG1 4.4Å; V273-V308 HydrophobicContact CG2-CG1 4.41Å; A279-V308 HydrophobicContact CB-CB 4.48Å; A279-V308 HydrophobicContact CB-CG1 4.27Å; Q304-V308 WeakPolarHBondContact O-CG2 3.29Å; Q304-V308 PolarHBondContact O-N 2.84Å; C305-V308 PolarHBondContact O-N 3.11Å; V308-W310 VanDerWaalsContact C-N 3.35Å; V308-Q311 PolarHBondContact O-N 3.17Å; V308-Y312 HydrophobicContact CG1-CD2 4.37Å; V308-Y312 PolarHBondContact O-N 3.32Å
309I98.9Very high98.8Very high0 Ų031.9 Ų31.90%015%0.151CC..Hα-helixtrans-67.7-39.5-178.6-61166.6000110.2V273 A279 P280 C305 A306 D307 Q311 G313 N328 A331 F332 F351V273-I309 HydrophobicContact CG1-CG1 4.27Å; A279-I309 HydrophobicContact CB-CD1 4.4Å; A279-I309 HydrophobicContact CB-CG1 4.24Å; P280-I309 HydrophobicContact CB-CD1 3.99Å; P280-I309 HydrophobicContact CB-CG1 4.44Å; P280-I309 HydrophobicContact CG-CD1 3.95Å; P280-I309 HydrophobicContact CG-CG1 3.86Å; C305-I309 WeakPolarHBondContact O-CD1 3.42Å; C305-I309 WeakPolarHBondContact O-CG1 3.42Å; C305-I309 PolarHBondContact O-N 3.26Å; A306-I309 PolarHBondContact O-N 3.5Å; D307-I309 VanDerWaalsContact C-N 3.33Å; D307-I309 PolarHBondContact O-N 3.44Å; I309-Q311 VanDerWaalsContact C-N 3.27Å; I309-Q311 PolarHBondContact O-N 3.38Å; I309-G313 WeakPolarHBondContact O-CA 3.45Å; I309-G313 PolarHBondContact O-N 3.17Å; I309-N328 HydrophobicContact CG2-CB 3.91Å; I309-A331 HydrophobicContact CD1-CB 3.38Å; I309-F332 HydrophobicContact CB-CE1 4.3Å; I309-F332 HydrophobicContact CB-CZ 4.02Å; I309-F332 HydrophobicContact CG2-CE1 4.29Å; I309-F332 HydrophobicContact CG2-CE2 4.02Å; I309-F332 HydrophobicContact CG2-CZ 3.65Å; I309-F351 HydrophobicContact CG2-CE1 4.41Å; I309-F351 HydrophobicContact CG2-CZ 4.46Å; I309-F351 WeakPolarHBondContact O-CZ 3.26Å
310W98.9Very high98.8Very high24 Ų2431.6 Ų31.69%0.09115%0.151CC..Hα-helixtrans-61.1-39175.8-179.3-115.4000112N8 D12 A306 D307 V308 F332 Y346 R347 K350 F351N8-W310 VanDerWaalsContact ND2-CD2 3.29Å; N8-W310 WeakPolarHBondContact ND2-CZ2 3.47Å; N8-W310 PolarHBondContact ND2-O 3.32Å; D12-W310 HydrophobicContact CB-CZ2 4.43Å; A306-W310 VanDerWaalsContact O-CB 3.28Å; A306-W310 WeakPolarHBondContact O-CB 3.24Å; A306-W310 PolarHBondContact O-N 2.91Å; D307-W310 PolarHBondContact O-N 2.91Å; V308-W310 VanDerWaalsContact C-N 3.35Å; W310-F332 HydrophobicContact CB-CE1 4.25Å; W310-F332 HydrophobicContact CB-CZ 4.04Å; W310-F332 HydrophobicContact CE3-CE2 4.44Å; W310-F332 HydrophobicContact CE3-CZ 4.11Å; W310-Y346 HydrophobicContact CH2-CE1 4.42Å; W310-R347 HydrophobicContact CD2-CB 4.49Å; W310-R347 HydrophobicContact CD2-CG 3.76Å; W310-R347 HydrophobicContact CE3-CB 3.63Å; W310-R347 HydrophobicContact CE3-CG 3.36Å; W310-R347 HydrophobicContact CG-CG 4.48Å; W310-R347 VanDerWaalsContact CG-NE 3.32Å; W310-R347 HydrophobicContact CH2-CG 4.12Å; W310-R347 HydrophobicContact CZ2-CG 4.46Å; W310-R347 HydrophobicContact CZ3-CB 3.69Å; W310-R347 HydrophobicContact CZ3-CG 3.56Å; W310-K350 HydrophobicContact CH2-CB 3.83Å; W310-K350 HydrophobicContact CH2-CG 4.07Å; W310-K350 HydrophobicContact CZ3-CB 3.92Å; W310-F351 HydrophobicContact CE3-CD2 4.22Å; W310-F351 AromaticContact CE3-CE2 3.67Å; W310-F351 HydrophobicContact CE3-CE2 3.67Å; W310-F351 HydrophobicContact CZ3-CD2 4.01Å; W310-F351 AromaticContact CZ3-CE2 3.85Å; W310-F351 HydrophobicContact CZ3-CE2 3.85Å
311Q98.9Very high98.8Very high107 Ų10729 Ų2950%0.513%0.133SC..Hα-helixtrans-80.1-36.1-178.5-167.4175.310.400113.4D307 V308 I309D307-Q311 WeakPolarHBondContact O-CB 3.36Å; D307-Q311 PolarHBondContact O-N 3.28Å; V308-Q311 PolarHBondContact O-N 3.17Å; I309-Q311 VanDerWaalsContact C-N 3.27Å; I309-Q311 PolarHBondContact O-N 3.38Å
312Y98.9Very high98.8Very high54 Ų5428.1 Ų28.121%0.21213%0.129CC..Hα-helixtrans-128.66.4-167.6-56.5-65.5000114.8M1 A2 A5 V308 L315M1-Y312 HydrophobicContact CB-CD1 4.11Å; M1-Y312 HydrophobicContact CB-CD2 4.23Å; M1-Y312 HydrophobicContact CB-CG 3.92Å; M1-Y312 HydrophobicContact CE-CD2 4.14Å; M1-Y312 HydrophobicContact CE-CE2 3.99Å; M1-Y312 HydrophobicContact SD-CD2 4Å; M1-Y312 HydrophobicContact SD-CE2 4.46Å; A2-Y312 HydrophobicContact CB-CD1 4.38Å; A2-Y312 HydrophobicContact CB-CE1 3.91Å; A5-Y312 VanDerWaalsContact CB-O 3.31Å; A5-Y312 WeakPolarHBondContact CB-O 3.5Å; V308-Y312 HydrophobicContact CG1-CD2 4.37Å; V308-Y312 PolarHBondContact O-N 3.32Å; Y312-L315 WeakPolarHBondContact O-CD2 3.02Å
313G98.8Very high98.8Very high0 Ų029.4 Ų29.40%013%0.134CC..  trans-85.5-8.3-173.900000115.4I309 L315 N328I309-G313 WeakPolarHBondContact O-CA 3.45Å; I309-G313 PolarHBondContact O-N 3.17Å; G313-L315 PolarHBondContact O-N 3.07Å; G313-N328 WeakPolarHBondContact CA-ND2 3.38Å; G313-N328 PolarHBondContact O-ND2 2.53Å
314L98.9Very high98.8Very high2 Ų226.1 Ų26.11%0.0112%0.122CC..SBendtrans-82.889.4171.6-62.6-176.8000109.4A5 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 2.98Å; N8-L314 HydrophobicContact CB-CD1 4.27Å; Y10-L314 HydrophobicContact CE2-CD1 4.15Å; L314-A325 HydrophobicContact CD2-CB 4.39Å; L314-F351 HydrophobicContact CD2-CD1 3.84Å; L314-F351 HydrophobicContact CD2-CD2 4.06Å; L314-F351 HydrophobicContact CD2-CE1 3.72Å; L314-F351 HydrophobicContact CD2-CE2 3.91Å; L314-F351 HydrophobicContact CD2-CG 4.01Å; L314-F351 HydrophobicContact CD2-CZ 3.74Å; L314-F351 HydrophobicContact CG-CE1 4.37Å; L314-F351 HydrophobicContact CG-CE2 4.25Å; L314-F351 HydrophobicContact CG-CZ 4.01Å; L314-W354 HydrophobicContact CD1-CD2 4.06Å; L314-W354 HydrophobicContact CD1-CE3 3.84Å; L314-W354 HydrophobicContact CD1-CZ3 4.26Å; L314-W354 HydrophobicContact CD2-CB 3.94Å; L314-W354 HydrophobicContact CD2-CD2 3.99Å; L314-W354 HydrophobicContact CD2-CG 3.67Å; L314-W354 HydrophobicContact CG-CD2 4.43Å
315L98.8Very high98.8Very high3 Ų322 Ų222%0.01610%0.103CC..BIsolated β-bridgetrans-84.5135.1-165.6-55.8176.9000112.9V273 H274 Y312 G313 K317 G318 H323V273-L315 HydrophobicContact CB-CD2 4.39Å; H274-L315 VanDerWaalsContact CD2-CD1 3.43Å; H274-L315 WeakPolarHBondContact CD2-CD1 3.44Å; Y312-L315 WeakPolarHBondContact O-CD2 3.02Å; G313-L315 PolarHBondContact O-N 3.07Å; L315-K317 HydrophobicContact CB-CB 4.04Å; L315-K317 PolarHBondContact O-N 3.11Å; L315-K317 VanDerWaalsContact O-N 3.08Å; L315-G318 PolarHBondContact O-N 2.94Å; L315-H323 VanDerWaalsContact CD1-C 3.49Å; L315-H323 VanDerWaalsContact CD1-O 3.31Å; L315-H323 WeakPolarHBondContact CD1-O 3.45Å
316K98.7Very high98.8Very high101 Ų10122 Ų2244%0.43910%0.103SC..THydrogen-bonded Turntrans-60.7-16.5164.5-66.2-178.4179.3168.90113.2Q3 R4 A5 F6 G318Q3-K316 WeakPolarHBondContact O-CD 3.38Å; Q3-K316 PolarHBondContact O-NZ 2.93Å; Q3-K316 VanDerWaalsContact O-NZ 3.08Å; R4-K316 WeakPolarHBondContact O-CB 3.31Å; R4-K316 PolarHBondContact O-N 3.4Å; A5-K316 WeakPolarHBondContact O-CE 3.4Å; F6-K316 HydrophobicContact CD1-CG 4.28Å; F6-K316 HydrophobicContact CD2-CG 3.95Å; F6-K316 HydrophobicContact CE1-CG 4.01Å; F6-K316 VanDerWaalsContact CE2-CA 3.43Å; F6-K316 HydrophobicContact CE2-CB 4.11Å; F6-K316 HydrophobicContact CE2-CG 3.69Å; F6-K316 HydrophobicContact CG-CG 4.26Å; F6-K316 HydrophobicContact CZ-CB 4.27Å; F6-K316 HydrophobicContact CZ-CG 3.7Å; K316-G318 VanDerWaalsContact C-N 3.31Å
317K98.2Very high98.8Very high54 Ų5422 Ų2224%0.23510%0.103CC..THydrogen-bonded Turntrans-70.5-25-179.8-175.6170.2-97.3-79.90113.1L315 H323L315-K317 HydrophobicContact CB-CB 4.04Å; L315-K317 PolarHBondContact O-N 3.11Å; L315-K317 VanDerWaalsContact O-N 3.08Å; K317-H323 HydrophobicContact CD-CB 3.76Å; K317-H323 VanDerWaalsContact CD-CD2 3.43Å; K317-H323 WeakPolarHBondContact CD-CD2 3.45Å; K317-H323 WeakPolarHBondContact CD-O 3.39Å; K317-H323 WeakPolarHBondContact CG-O 3.23Å
318G98.5Very high98.8Very high4 Ų418.8 Ų18.84%0.0419%0.085CC..  trans132-165.1179.800000113.6L315 K316 G324 A325L315-G318 PolarHBondContact O-N 2.94Å; K316-G318 VanDerWaalsContact C-N 3.31Å; G318-G324 WeakPolarHBondContact O-CA 3.35Å; G318-A325 PolarHBondContact O-N 3.19Å; G318-A325 VanDerWaalsContact O-N 3.11Å
319Y98.9Very high98.8Very high7 Ų718.5 Ų18.53%0.0278%0.083CC..SBendtrans-109.6-6.4-169.2-51.1-94.7000114.3A326 W354 Y358 G359 H361 C363 T379Y319-A326 WeakPolarHBondContact O-CB 3.31Å; Y319-A326 PolarHBondContact O-N 3.29Å; Y319-W354 AromaticContact CD1-CD1 3.77Å; Y319-W354 AromaticContact CD1-NE1 3.86Å; Y319-W354 AromaticContact CE1-CD1 3.53Å; Y319-W354 AromaticContact CE1-NE1 3.35Å; Y319-W354 VanDerWaalsContact CE1-NE1 3.35Å; Y319-Y358 HydrophobicContact CD1-CD2 4.31Å; Y319-Y358 AromaticContact CD2-CD2 3.64Å; Y319-Y358 HydrophobicContact CD2-CD2 3.64Å; Y319-Y358 AromaticContact CD2-CE2 3.57Å; Y319-Y358 HydrophobicContact CD2-CE2 3.57Å; Y319-Y358 HydrophobicContact CD2-CG 4.27Å; Y319-Y358 HydrophobicContact CE2-CD2 4.22Å; Y319-Y358 HydrophobicContact CE2-CE2 4.42Å; Y319-Y358 HydrophobicContact CE2-CG 4.42Å; Y319-Y358 AromaticContact CG-CD2 3.71Å; Y319-Y358 HydrophobicContact CG-CD2 3.71Å; Y319-Y358 AromaticContact CG-CE2 3.83Å; Y319-Y358 HydrophobicContact CG-CE2 3.83Å; Y319-G359 PolarHBondContact OH-N 2.88Å; Y319-H361 AromaticContact CE1-CD2 3.9Å; Y319-H361 AromaticContact CZ-CD2 3.87Å; Y319-H361 WeakPolarHBondContact OH-CB 3.02Å; Y319-H361 PolarHBondContact OH-CD2 2.81Å; Y319-C363 HydrophobicContact CE2-CB 3.95Å; Y319-T379 PolarHBondContact O-OG1 3.11Å
320G98.8Very high98.8Very high4 Ų418.5 Ų18.54%0.0418%0.083CC..  trans-61.9-178.7-174.500000116G324 G327G320-G324 CarbonylContact O-C 3.45Å; G320-G324 VanDerWaalsContact O-C 3.24Å; G320-G324 WeakPolarHBondContact O-CA 3.38Å; G320-G324 PolarHBondContact O-N 3.11Å; G320-G324 VanDerWaalsContact O-N 3.12Å; G320-G327 PolarHBondContact O-N 2.74Å
321L98.9Very high98.8Very high0 Ų017.4 Ų17.40%08%0.079CC..THydrogen-bonded Turntrans-85.1-41.8-175.1-66.4177.1000113.8H323 A326 G327 Y330 L372 F373 G378 F394 P395L321-H323 VanDerWaalsContact C-N 3.3Å; L321-H323 PolarHBondContact O-N 3.46Å; L321-A326 HydrophobicContact CD2-CB 4.21Å; L321-G327 VanDerWaalsContact O-CA 3.28Å; L321-G327 WeakPolarHBondContact O-CA 3.36Å; L321-Y330 HydrophobicContact CD2-CD2 4.11Å; L321-Y330 HydrophobicContact CD2-CE2 3.72Å; L321-L372 HydrophobicContact CD1-CD1 4.23Å; L321-L372 HydrophobicContact CD1-CG 4.4Å; L321-L372 WeakPolarHBondContact CD1-O 3.24Å; L321-F373 PolarHBondContact N-O 3.22Å; L321-F373 VanDerWaalsContact N-O 3.14Å; L321-G378 WeakPolarHBondContact CD2-O 3.32Å; L321-F394 HydrophobicContact CB-CE2 4.33Å; L321-F394 HydrophobicContact CB-CZ 3.94Å; L321-P395 HydrophobicContact CD1-CG 3.44Å; L321-P395 VanDerWaalsContact CD1-CG 3.44Å
322C98.9Very high98.8Very high3 Ų312.3 Ų12.32%0.026%0.055CC..THydrogen-bonded Turntrans-65.1-39.2-174.6-174.50000112Y62 W275 C276 F373Y62-C322 HydrophobicContact CE2-CB 4.19Å; Y62-C322 PolarHBondContact OH-SG 3.37Å; W275-C322 HydrophobicContact CE3-CB 4.45Å; W275-C322 PolarHBondContact N-O 3.31Å; C276-C322 PolarHBondContact N-O 3.28Å; C276-C322 VanDerWaalsContact N-O 3.16Å; C322-F373 HydrophobicContact CB-CB 4.24Å; C322-F373 HydrophobicContact CB-CD1 4.04Å; C322-F373 WeakPolarHBondContact CB-O 3.49Å; C322-F373 PolarHBondContact N-O 3.26Å
323H98.5Very high98.8Very high26 Ų269.8 Ų9.812%0.125%0.046CC..THydrogen-bonded Turntrans-160.150.6-171.545.8-108.8000111.7H274 L315 K317 L321H274-H323 HydrophobicContact CB-CB 3.72Å; H274-H323 VanDerWaalsContact CG-CB 3.4Å; L315-H323 VanDerWaalsContact CD1-C 3.49Å; L315-H323 VanDerWaalsContact CD1-O 3.31Å; L315-H323 WeakPolarHBondContact CD1-O 3.45Å; K317-H323 HydrophobicContact CD-CB 3.76Å; K317-H323 VanDerWaalsContact CD-CD2 3.43Å; K317-H323 WeakPolarHBondContact CD-CD2 3.45Å; K317-H323 WeakPolarHBondContact CD-O 3.39Å; K317-H323 WeakPolarHBondContact CG-O 3.23Å; L321-H323 VanDerWaalsContact C-N 3.3Å; L321-H323 PolarHBondContact O-N 3.46Å
324G98.8Very high98.8Very high0 Ų010 Ų100%05%0.047CC..SBendtrans-140.7175.9178.200000112.6G318 G320 A326 G327 N328G318-G324 WeakPolarHBondContact O-CA 3.35Å; G320-G324 CarbonylContact O-C 3.45Å; G320-G324 VanDerWaalsContact O-C 3.24Å; G320-G324 WeakPolarHBondContact O-CA 3.38Å; G320-G324 PolarHBondContact O-N 3.11Å; G320-G324 VanDerWaalsContact O-N 3.12Å; G324-A326 PolarHBondContact O-N 3.43Å; G324-G327 PolarHBondContact O-N 2.91Å; G324-N328 PolarHBondContact O-N 2.89Å; G324-N328 VanDerWaalsContact O-N 3.1Å
325A98.9Very high98.8Very high0 Ų09.9 Ų9.90%05%0.046CC..Hα-helixtrans-58.4-41.5-178.200000113.1L314 G318 G327 N328 A329 F351L314-A325 HydrophobicContact CD2-CB 4.39Å; G318-A325 PolarHBondContact O-N 3.19Å; G318-A325 VanDerWaalsContact O-N 3.11Å; A325-G327 PolarHBondContact O-N 3.22Å; A325-N328 PolarHBondContact O-N 2.88Å; A325-A329 PolarHBondContact O-N 2.73Å; A325-F351 WeakPolarHBondContact O-CD1 3.18Å
326A98.9Very high98.8Very high0 Ų09.8 Ų9.80%05%0.046CC..Hα-helixtrans-63.8-44.6179.500000111.9Y319 L321 G324 N328 A329 Y330 T379 F382Y319-A326 WeakPolarHBondContact O-CB 3.31Å; Y319-A326 PolarHBondContact O-N 3.29Å; L321-A326 HydrophobicContact CD2-CB 4.21Å; G324-A326 PolarHBondContact O-N 3.43Å; A326-N328 VanDerWaalsContact C-N 3.28Å; A326-N328 PolarHBondContact O-N 3.44Å; A326-A329 WeakPolarHBondContact O-CB 3.29Å; A326-A329 PolarHBondContact O-N 3.08Å; A326-A329 VanDerWaalsContact O-N 3.16Å; A326-Y330 WeakPolarHBondContact O-CD2 3.33Å; A326-Y330 PolarHBondContact O-N 3.34Å; A326-T379 HydrophobicContact CB-CG2 4.49Å; A326-F382 HydrophobicContact CB-CB 3.8Å; A326-F382 HydrophobicContact CB-CD1 3.77Å; A326-F382 HydrophobicContact CB-CG 3.93Å
327G98.9Very high98.8Very high0 Ų06.5 Ų6.50%03%0.033CC..Hα-helixtrans-61.2-38.5176.300000113.3G320 L321 G324 A325 A329G320-G327 PolarHBondContact O-N 2.74Å; L321-G327 VanDerWaalsContact O-CA 3.28Å; L321-G327 WeakPolarHBondContact O-CA 3.36Å; G324-G327 PolarHBondContact O-N 2.91Å; A325-G327 PolarHBondContact O-N 3.22Å; G327-A329 VanDerWaalsContact C-N 3.34Å
328N98.9Very high98.8Very high0 Ų05.7 Ų5.70%03%0.031CC..Hα-helixtrans-67.5-34.4176.2-74.3-4.2000112.4V273 P280 I309 G313 G324 A325 A326 Y330 A331 F351V273-N328 PolarHBondContact O-ND2 3.48Å; V273-N328 PolarHBondContact O-OD1 3Å; P280-N328 WeakPolarHBondContact CB-OD1 3.41Å; P280-N328 WeakPolarHBondContact CG-OD1 3.34Å; I309-N328 HydrophobicContact CG2-CB 3.91Å; G313-N328 WeakPolarHBondContact CA-ND2 3.38Å; G313-N328 PolarHBondContact O-ND2 2.53Å; G324-N328 PolarHBondContact O-N 2.89Å; G324-N328 VanDerWaalsContact O-N 3.1Å; A325-N328 PolarHBondContact O-N 2.88Å; A326-N328 VanDerWaalsContact C-N 3.28Å; A326-N328 PolarHBondContact O-N 3.44Å; N328-Y330 VanDerWaalsContact C-N 3.28Å; N328-Y330 PolarHBondContact O-N 2.92Å; N328-A331 VanDerWaalsContact O-CB 3.28Å; N328-A331 WeakPolarHBondContact O-CB 3.5Å; N328-A331 PolarHBondContact O-N 3.03Å; N328-F351 HydrophobicContact CB-CE1 4.09Å
329A98.9Very high98.8Very high0 Ų07.2 Ų7.20%04%0.04CC..Hα-helixtrans-64.3-31-179.400000113.3A325 A326 G327 A331 F332 L333 F351 F382A325-A329 PolarHBondContact O-N 2.73Å; A326-A329 WeakPolarHBondContact O-CB 3.29Å; A326-A329 PolarHBondContact O-N 3.08Å; A326-A329 VanDerWaalsContact O-N 3.16Å; G327-A329 VanDerWaalsContact C-N 3.34Å; A329-A331 PolarHBondContact O-N 3.12Å; A329-F332 WeakPolarHBondContact O-CB 3.28Å; A329-F332 PolarHBondContact O-N 2.93Å; A329-L333 PolarHBondContact O-N 3.23Å; A329-F351 HydrophobicContact CB-CB 3.56Å; A329-F351 HydrophobicContact CB-CD1 3.97Å; A329-F351 HydrophobicContact CB-CG 4.09Å; A329-F382 HydrophobicContact CB-CD2 4.27Å; A329-F382 HydrophobicContact CB-CE1 3.99Å; A329-F382 HydrophobicContact CB-CE2 3.5Å; A329-F382 HydrophobicContact CB-CZ 3.34Å
330Y98.9Very high98.8Very high0 Ų011.8 Ų11.80%06%0.061CC..Hα-helixtrans-59.6-30.1175.3-86.6-77.1000113.4Y284 L321 A326 N328 F332 L333 T334 Y381 F382 D385 A392 R393 F394Y284-Y330 WeakPolarHBondContact OH-CB 3.48Å; L321-Y330 HydrophobicContact CD2-CD2 4.11Å; L321-Y330 HydrophobicContact CD2-CE2 3.72Å; A326-Y330 WeakPolarHBondContact O-CD2 3.33Å; A326-Y330 PolarHBondContact O-N 3.34Å; N328-Y330 VanDerWaalsContact C-N 3.28Å; N328-Y330 PolarHBondContact O-N 2.92Å; Y330-F332 PolarHBondContact O-N 3.42Å; Y330-L333 HydrophobicContact CD1-CD1 4.09Å; Y330-L333 HydrophobicContact CE1-CD1 4.28Å; Y330-L333 PolarHBondContact O-N 3.44Å; Y330-T334 PolarHBondContact O-N 2.92Å; Y330-T334 PolarHBondContact O-OG1 3.24Å; Y330-T334 VanDerWaalsContact O-OG1 3.1Å; Y330-Y381 VanDerWaalsContact OH-CD1 3.27Å; Y330-Y381 WeakPolarHBondContact OH-CD1 3.31Å; Y330-F382 HydrophobicContact CD2-CD2 4.08Å; Y330-F382 HydrophobicContact CE2-CB 3.76Å; Y330-F382 AromaticContact CE2-CD2 3.79Å; Y330-F382 HydrophobicContact CE2-CD2 3.79Å; Y330-F382 HydrophobicContact CE2-CG 4.2Å; Y330-F382 WeakPolarHBondContact OH-CA 3.33Å; Y330-D385 WeakPolarHBondContact CE1-OD2 3.48Å; Y330-D385 WeakPolarHBondContact OH-CB 3.43Å; Y330-D385 PolarHBondContact OH-OD2 3.21Å; Y330-A392 HydrophobicContact CE1-CB 4.49Å; Y330-R393 WeakPolarHBondContact CE1-O 3.37Å; Y330-F394 HydrophobicContact CD1-CB 3.99Å; Y330-F394 HydrophobicContact CD2-CB 4.4Å; Y330-F394 AromaticContact CD2-CD2 3.63Å; Y330-F394 HydrophobicContact CD2-CD2 3.63Å; Y330-F394 HydrophobicContact CD2-CE2 4.33Å; Y330-F394 HydrophobicContact CD2-CG 4.32Å; Y330-F394 HydrophobicContact CE1-CB 4.5Å; Y330-F394 HydrophobicContact CE2-CD2 4.41Å; Y330-F394 HydrophobicContact CG-CB 3.94Å; Y330-F394 AromaticContact CG-CD2 3.74Å; Y330-F394 HydrophobicContact CG-CD2 3.74Å; Y330-F394 HydrophobicContact CG-CG 4.26Å
331A98.9Very high98.8Very high0 Ų014.5 Ų14.50%08%0.075CC..Hα-helixtrans-56.2-37.5174.600000111.9I283 I309 N328 A329 L335I283-A331 HydrophobicContact CD1-CB 4.1Å; I283-A331 HydrophobicContact CG2-CB 3.84Å; I309-A331 HydrophobicContact CD1-CB 3.38Å; N328-A331 VanDerWaalsContact O-CB 3.28Å; N328-A331 WeakPolarHBondContact O-CB 3.5Å; N328-A331 PolarHBondContact O-N 3.03Å; A329-A331 PolarHBondContact O-N 3.12Å; A331-L335 WeakPolarHBondContact O-CB 3.41Å; A331-L335 PolarHBondContact O-N 2.79Å; A331-L335 VanDerWaalsContact O-N 3.16Å
332F98.9Very high98.8Very high0 Ų016.2 Ų16.20%08%0.083CC..Hα-helixtrans-70.4-40.3175.1-55.6-54.4000112.2A306 I309 W310 A329 Y330 L335 Y336 Y344 R347 A348 F351A306-F332 HydrophobicContact CB-CD1 4.23Å; A306-F332 HydrophobicContact CB-CE1 4.17Å; A306-F332 WeakPolarHBondContact O-CE1 3.42Å; I309-F332 HydrophobicContact CB-CE1 4.3Å; I309-F332 HydrophobicContact CB-CZ 4.02Å; I309-F332 HydrophobicContact CG2-CE1 4.29Å; I309-F332 HydrophobicContact CG2-CE2 4.02Å; I309-F332 HydrophobicContact CG2-CZ 3.65Å; W310-F332 HydrophobicContact CB-CE1 4.25Å; W310-F332 HydrophobicContact CB-CZ 4.04Å; W310-F332 HydrophobicContact CE3-CE2 4.44Å; W310-F332 HydrophobicContact CE3-CZ 4.11Å; A329-F332 WeakPolarHBondContact O-CB 3.28Å; A329-F332 PolarHBondContact O-N 2.93Å; Y330-F332 PolarHBondContact O-N 3.42Å; F332-L335 PolarHBondContact O-N 2.95Å; F332-Y336 VanDerWaalsContact O-CB 3.26Å; F332-Y336 WeakPolarHBondContact O-CB 3.28Å; F332-Y336 PolarHBondContact O-N 3.5Å; F332-Y344 WeakPolarHBondContact CB-O 3.35Å; F332-Y344 HydrophobicContact CD1-CD1 4.25Å; F332-Y344 WeakPolarHBondContact O-CB 3.12Å; F332-R347 HydrophobicContact CB-CB 4.41Å; F332-R347 HydrophobicContact CD1-CB 3.87Å; F332-R347 HydrophobicContact CD2-CB 3.81Å; F332-R347 HydrophobicContact CE1-CB 4.01Å; F332-R347 HydrophobicContact CE2-CB 3.97Å; F332-R347 HydrophobicContact CG-CB 3.77Å; F332-R347 HydrophobicContact CZ-CB 4.06Å; F332-A348 HydrophobicContact CB-CB 4.13Å; F332-F351 HydrophobicContact CE2-CD1 4.2Å; F332-F351 AromaticContact CE2-CD2 3.73Å; F332-F351 HydrophobicContact CE2-CD2 3.73Å; F332-F351 HydrophobicContact CE2-CE1 4.08Å; F332-F351 AromaticContact CE2-CE2 3.62Å; F332-F351 HydrophobicContact CE2-CE2 3.62Å; F332-F351 HydrophobicContact CE2-CG 4.04Å; F332-F351 AromaticContact CE2-CZ 3.81Å; F332-F351 HydrophobicContact CE2-CZ 3.81Å; F332-F351 HydrophobicContact CZ-CE2 4.09Å; F332-F351 HydrophobicContact CZ-CZ 4.17Å
333L98.9Very high98.8Very high1 Ų118.2 Ų18.21%0.0059%0.092CC..Hα-helixtrans-64.3-42.4177.3-67.8174.6000111.7A329 Y330 L335 Y336 N337 L345 A348 F382 L386 P389 A392A329-L333 PolarHBondContact O-N 3.23Å; Y330-L333 HydrophobicContact CD1-CD1 4.09Å; Y330-L333 HydrophobicContact CE1-CD1 4.28Å; Y330-L333 PolarHBondContact O-N 3.44Å; L333-L335 VanDerWaalsContact C-N 3.33Å; L333-L335 PolarHBondContact O-N 3.16Å; L333-Y336 PolarHBondContact O-N 3.34Å; L333-N337 VanDerWaalsContact O-CB 3.29Å; L333-N337 WeakPolarHBondContact O-CB 3Å; L333-N337 PolarHBondContact O-N 3.41Å; L333-N337 PolarHBondContact O-ND2 3.28Å; L333-L345 HydrophobicContact CD2-CD1 4.2Å; L333-A348 HydrophobicContact CD2-CB 3.65Å; L333-A348 HydrophobicContact CG-CB 3.82Å; L333-F382 HydrophobicContact CD1-CD2 4.36Å; L333-F382 HydrophobicContact CD1-CE2 3.9Å; L333-L386 HydrophobicContact CD1-CD1 4.42Å; L333-L386 HydrophobicContact CD2-CD1 3.92Å; L333-P389 HydrophobicContact CD2-CB 4.2Å; L333-A392 HydrophobicContact CD1-CB 3.79Å
334T98.9Very high98.8Very high4 Ų417.5 Ų17.53%0.0259%0.088CC..Hα-helixtrans-62.4-41.7176.2-53.70000111.3Y284 I287 Y330 L338 E398Y284-T334 HydrophobicContact CD1-CG2 3.95Å; Y284-T334 HydrophobicContact CE1-CG2 4.13Å; Y284-T334 WeakPolarHBondContact CE1-OG1 3.45Å; I287-T334 HydrophobicContact CD1-CG2 3.61Å; I287-T334 HydrophobicContact CG2-CG2 4.17Å; Y330-T334 PolarHBondContact O-N 2.92Å; Y330-T334 PolarHBondContact O-OG1 3.24Å; Y330-T334 VanDerWaalsContact O-OG1 3.1Å; T334-L338 PolarHBondContact O-N 3.25Å; T334-E398 WeakPolarHBondContact CG2-OE1 3.43Å; T334-E398 PolarHBondContact OG1-OE1 3.26Å; T334-E398 PolarHBondContact OG1-OE2 3.05Å
335L98.9Very high98.9Very high0 Ų017.5 Ų17.50%09%0.088CC..Hα-helixtrans-69.8-44.5177.5-172.858.5000112I287 L299 A302 Y303 A306 A331 F332 L333 N337 L338 T339 Y344I287-L335 HydrophobicContact CD1-CB 4.05Å; I287-L335 HydrophobicContact CD1-CD1 4.07Å; I287-L335 HydrophobicContact CG1-CD1 4.37Å; L299-L335 HydrophobicContact CD1-CD1 4.14Å; A302-L335 HydrophobicContact CB-CD1 4.21Å; Y303-L335 HydrophobicContact CD1-CD1 4.33Å; Y303-L335 HydrophobicContact CD1-CD2 3.84Å; Y303-L335 HydrophobicContact CE1-CD1 4.17Å; Y303-L335 HydrophobicContact CE1-CD2 4.18Å; Y303-L335 HydrophobicContact CE1-CG 4.41Å; A306-L335 HydrophobicContact CB-CD2 3.6Å; A331-L335 WeakPolarHBondContact O-CB 3.41Å; A331-L335 PolarHBondContact O-N 2.79Å; A331-L335 VanDerWaalsContact O-N 3.16Å; F332-L335 PolarHBondContact O-N 2.95Å; L333-L335 VanDerWaalsContact C-N 3.33Å; L333-L335 PolarHBondContact O-N 3.16Å; L335-N337 VanDerWaalsContact C-N 3.33Å; L335-N337 PolarHBondContact O-N 3.05Å; L335-L338 WeakPolarHBondContact O-CB 2.97Å; L335-L338 PolarHBondContact O-N 3.44Å; L335-L338 VanDerWaalsContact O-N 3.12Å; L335-T339 HydrophobicContact CD1-CG2 3.74Å; L335-T339 HydrophobicContact CG-CG2 4.24Å; L335-T339 WeakPolarHBondContact O-CG2 3.22Å; L335-T339 PolarHBondContact O-N 3.42Å; L335-T339 PolarHBondContact O-OG1 2.98Å; L335-T339 VanDerWaalsContact O-OG1 3.06Å; L335-Y344 HydrophobicContact CB-CG 4.36Å; L335-Y344 HydrophobicContact CD2-CD1 3.62Å; L335-Y344 HydrophobicContact CD2-CD2 4.01Å; L335-Y344 HydrophobicContact CD2-CE1 3.44Å; L335-Y344 VanDerWaalsContact CD2-CE1 3.44Å; L335-Y344 HydrophobicContact CD2-CE2 3.87Å; L335-Y344 HydrophobicContact CD2-CG 3.91Å; L335-Y344 HydrophobicContact CG-CD1 4.29Å; L335-Y344 HydrophobicContact CG-CD2 3.95Å; L335-Y344 HydrophobicContact CG-CE1 4.41Å; L335-Y344 HydrophobicContact CG-CE2 4.11Å; L335-Y344 HydrophobicContact CG-CG 4.07Å
336Y98.9Very high98.9Very high1 Ų117.5 Ų17.50%0.0049%0.088CC..Hα-helixtrans-54.5-48.2172.8169.1-112.6000111.6F332 L333 L338 T339 Q340 D341 M342 L345 P389 T390F332-Y336 VanDerWaalsContact O-CB 3.26Å; F332-Y336 WeakPolarHBondContact O-CB 3.28Å; F332-Y336 PolarHBondContact O-N 3.5Å; L333-Y336 PolarHBondContact O-N 3.34Å; Y336-L338 PolarHBondContact O-N 3.19Å; Y336-L338 VanDerWaalsContact O-N 3.15Å; Y336-T339 PolarHBondContact O-N 3.38Å; Y336-Q340 WeakPolarHBondContact O-CA 3.28Å; Y336-Q340 PolarHBondContact O-N 3.23Å; Y336-D341 WeakPolarHBondContact CD2-O 3.34Å; Y336-M342 HydrophobicContact CE2-CE 3.83Å; Y336-M342 HydrophobicContact CE2-SD 3.74Å; Y336-L345 HydrophobicContact CD1-CB 4.26Å; Y336-L345 HydrophobicContact CD1-CD1 4.46Å; Y336-L345 HydrophobicContact CD2-CB 3.78Å; Y336-L345 HydrophobicContact CE1-CB 4.36Å; Y336-L345 HydrophobicContact CE1-CD1 4.39Å; Y336-L345 HydrophobicContact CE1-CD2 4.23Å; Y336-L345 HydrophobicContact CE2-CB 3.89Å; Y336-L345 HydrophobicContact CE2-CD2 4.26Å; Y336-L345 HydrophobicContact CG-CB 3.96Å; Y336-P389 HydrophobicContact CE1-CB 4.16Å; Y336-T390 HydrophobicContact CE1-CG2 4.46Å
337N98.7Very high98.9Very high32 Ų3217.7 Ų17.717%0.1719%0.089CC..Hα-helixtrans-65.3-20.8-178.4-74.4-20.2000112.9L333 L335 Q340 P389 T390L333-N337 VanDerWaalsContact O-CB 3.29Å; L333-N337 WeakPolarHBondContact O-CB 3Å; L333-N337 PolarHBondContact O-N 3.41Å; L333-N337 PolarHBondContact O-ND2 3.28Å; L335-N337 VanDerWaalsContact C-N 3.33Å; L335-N337 PolarHBondContact O-N 3.05Å; N337-Q340 PolarHBondContact O-NE2 3.2Å; N337-P389 PolarHBondContact ND2-O 3.27Å; N337-P389 VanDerWaalsContact ND2-O 3.11Å; N337-P389 PolarHBondContact OD1-O 3.32Å; N337-T390 WeakPolarHBondContact OD1-CA 3.42Å
338L98.7Very high98.9Very high37 Ų3717.7 Ų17.719%0.1949%0.089CC..Hα-helixtrans-84-51.4169.8176.973.4000112.2I287 Y290 K291 L299 T334 L335 Y336I287-L338 HydrophobicContact CG1-CD2 4.33Å; I287-L338 HydrophobicContact CG2-CB 4.38Å; I287-L338 HydrophobicContact CG2-CD2 4.06Å; Y290-L338 HydrophobicContact CD1-CD1 4.2Å; Y290-L338 HydrophobicContact CD1-CD2 3.83Å; Y290-L338 HydrophobicContact CE1-CD1 4.49Å; Y290-L338 HydrophobicContact CE1-CD2 4.34Å; K291-L338 HydrophobicContact CD-CD1 4.34Å; K291-L338 HydrophobicContact CG-CD1 3.76Å; L299-L338 HydrophobicContact CD1-CD2 3.72Å; T334-L338 PolarHBondContact O-N 3.25Å; L335-L338 WeakPolarHBondContact O-CB 2.97Å; L335-L338 PolarHBondContact O-N 3.44Å; L335-L338 VanDerWaalsContact O-N 3.12Å; Y336-L338 PolarHBondContact O-N 3.19Å; Y336-L338 VanDerWaalsContact O-N 3.15Å
339T98.6Very high98.9Very high37 Ų3717.7 Ų17.723%0.2279%0.089CC..Hα-helixtrans-91.6-21.8-164.663.60000113.6L299 Y303 L335 Y336 D341L299-T339 HydrophobicContact CD1-CG2 4.13Å; Y303-T339 HydrophobicContact CE1-CG2 4.06Å; Y303-T339 WeakPolarHBondContact OH-CG2 3.22Å; L335-T339 HydrophobicContact CD1-CG2 3.74Å; L335-T339 HydrophobicContact CG-CG2 4.24Å; L335-T339 WeakPolarHBondContact O-CG2 3.22Å; L335-T339 PolarHBondContact O-N 3.42Å; L335-T339 PolarHBondContact O-OG1 2.98Å; L335-T339 VanDerWaalsContact O-OG1 3.06Å; Y336-T339 PolarHBondContact O-N 3.38Å; T339-D341 PolarHBondContact O-N 3.1Å; T339-D341 WeakPolarHBondContact OG1-CB 3.37Å; T339-D341 PolarHBondContact OG1-N 3.27Å; T339-D341 VanDerWaalsContact OG1-N 3.16Å
340Q98.6Very high98.9Very high102 Ų10218.9 Ų18.948%0.4779%0.094SC..  trans5717.9-167.5-54.3-59.6-38.700113.5Y336 N337 M342Y336-Q340 WeakPolarHBondContact O-CA 3.28Å; Y336-Q340 PolarHBondContact O-N 3.23Å; N337-Q340 PolarHBondContact O-NE2 3.2Å; Q340-M342 PolarHBondContact O-N 3.17Å
341D98.8Very high98.9Very high61 Ų6118.9 Ų18.933%0.3269%0.094SC..  trans-79.6110.9174.4-178.1-6.3000110Y336 T339 K343 Y344Y336-D341 WeakPolarHBondContact CD2-O 3.34Å; T339-D341 PolarHBondContact O-N 3.1Å; T339-D341 WeakPolarHBondContact OG1-CB 3.37Å; T339-D341 PolarHBondContact OG1-N 3.27Å; T339-D341 VanDerWaalsContact OG1-N 3.16Å; D341-K343 PolarHBondContact O-N 3Å; D341-K343 VanDerWaalsContact OD1-CB 3.24Å; D341-K343 WeakPolarHBondContact OD1-CB 3.47Å; D341-K343 PolarHBondContact OD1-N 3.32Å; D341-Y344 HydrophobicContact CB-CD2 3.84Å; D341-Y344 HydrophobicContact CB-CE2 3.89Å; D341-Y344 PolarHBondContact O-N 3.01Å
342M98.8Very high98.9Very high36 Ų3618.9 Ų18.918%0.1779%0.094CC..Hα-helixtrans-57.3-19.7-178.1-64.3-61152.900113.7Y13 F22 Y336 Q340 Y344 L345 Y346Y13-M342 HydrophobicContact CE2-CB 4.13Å; F22-M342 HydrophobicContact CD2-SD 4.39Å; F22-M342 HydrophobicContact CE2-CB 3.96Å; F22-M342 HydrophobicContact CE2-CG 4.31Å; F22-M342 HydrophobicContact CE2-SD 4.02Å; F22-M342 HydrophobicContact CZ-CB 4.3Å; F22-M342 WeakPolarHBondContact CZ-O 3.37Å; Y336-M342 HydrophobicContact CE2-CE 3.83Å; Y336-M342 HydrophobicContact CE2-SD 3.74Å; Q340-M342 PolarHBondContact O-N 3.17Å; M342-Y344 PolarHBondContact O-N 3.48Å; M342-L345 PolarHBondContact O-N 3.45Å; M342-L345 HydrophobicContact SD-CD2 4.32Å; M342-Y346 WeakPolarHBondContact O-CB 3.27Å; M342-Y346 PolarHBondContact O-N 2.87Å
343K98.9Very high98.9Very high45 Ų4519.7 Ų19.720%0.19610%0.097CC..Hα-helixtrans-53.6-42.1170.9176.2175.3-180-175.70111.9D12 Y13 D341 Y346 R347D12-K343 WeakPolarHBondContact OD2-CE 3.37Å; D12-K343 IonicContact OD2-NZ 3.08Å; Y13-K343 HydrophobicContact CD1-CB 3.95Å; Y13-K343 HydrophobicContact CD1-CG 4.48Å; Y13-K343 HydrophobicContact CG-CB 4.01Å; Y13-K343 HydrophobicContact CG-CG 4.34Å; D341-K343 PolarHBondContact O-N 3Å; D341-K343 VanDerWaalsContact OD1-CB 3.24Å; D341-K343 WeakPolarHBondContact OD1-CB 3.47Å; D341-K343 PolarHBondContact OD1-N 3.32Å; K343-Y346 WeakPolarHBondContact O-CB 3.37Å; K343-Y346 PolarHBondContact O-N 3.37Å; K343-R347 WeakPolarHBondContact O-CG 3.11Å; K343-R347 PolarHBondContact O-N 2.74Å
344Y98.9Very high98.9Very high11 Ų1120.2 Ų20.24%0.04310%0.099CC..Hα-helixtrans-77.4-34.7-176.1-58-66.5000112Y303 A306 F332 L335 D341 M342 Y346 R347 A348Y303-Y344 HydrophobicContact CD1-CE2 4.06Å; Y303-Y344 AromaticContact CD1-CZ 3.61Å; Y303-Y344 WeakPolarHBondContact CD1-OH 3.04Å; Y303-Y344 AromaticContact CE1-CE2 3.64Å; Y303-Y344 HydrophobicContact CE1-CE2 3.64Å; Y303-Y344 AromaticContact CE1-CZ 3.7Å; Y303-Y344 VanDerWaalsContact CE1-OH 3.26Å; Y303-Y344 WeakPolarHBondContact CE1-OH 3.44Å; A306-Y344 HydrophobicContact CB-CD1 4.1Å; A306-Y344 HydrophobicContact CB-CE1 3.7Å; F332-Y344 WeakPolarHBondContact CB-O 3.35Å; F332-Y344 HydrophobicContact CD1-CD1 4.25Å; F332-Y344 WeakPolarHBondContact O-CB 3.12Å; L335-Y344 HydrophobicContact CB-CG 4.36Å; L335-Y344 HydrophobicContact CD2-CD1 3.62Å; L335-Y344 HydrophobicContact CD2-CD2 4.01Å; L335-Y344 HydrophobicContact CD2-CE1 3.44Å; L335-Y344 VanDerWaalsContact CD2-CE1 3.44Å; L335-Y344 HydrophobicContact CD2-CE2 3.87Å; L335-Y344 HydrophobicContact CD2-CG 3.91Å; L335-Y344 HydrophobicContact CG-CD1 4.29Å; L335-Y344 HydrophobicContact CG-CD2 3.95Å; L335-Y344 HydrophobicContact CG-CE1 4.41Å; L335-Y344 HydrophobicContact CG-CE2 4.11Å; L335-Y344 HydrophobicContact CG-CG 4.07Å; D341-Y344 HydrophobicContact CB-CD2 3.84Å; D341-Y344 HydrophobicContact CB-CE2 3.89Å; D341-Y344 PolarHBondContact O-N 3.01Å; M342-Y344 PolarHBondContact O-N 3.48Å; Y344-Y346 VanDerWaalsContact C-N 3.29Å; Y344-Y346 PolarHBondContact O-N 3.29Å; Y344-R347 PolarHBondContact O-N 3.24Å; Y344-A348 PolarHBondContact O-N 3.26Å
345L98.9Very high98.9Very high0 Ų020 Ų200%010%0.098CC..Hα-helixtrans-60.8-41.4169.3-179.157.9000111.5F22 L333 Y336 M342 A348 C349 L386 P389F22-L345 HydrophobicContact CB-CD2 4.32Å; F22-L345 HydrophobicContact CD1-CD2 3.71Å; F22-L345 HydrophobicContact CD1-CG 3.76Å; F22-L345 HydrophobicContact CD2-CD2 4.04Å; F22-L345 HydrophobicContact CE1-CB 4.11Å; F22-L345 HydrophobicContact CE1-CD2 3.96Å; F22-L345 HydrophobicContact CE1-CG 3.66Å; F22-L345 HydrophobicContact CE2-CD2 4.26Å; F22-L345 HydrophobicContact CG-CD2 3.76Å; F22-L345 HydrophobicContact CG-CG 4.32Å; F22-L345 HydrophobicContact CZ-CB 4.19Å; F22-L345 HydrophobicContact CZ-CD2 4.21Å; F22-L345 HydrophobicContact CZ-CG 4.13Å; L333-L345 HydrophobicContact CD2-CD1 4.2Å; Y336-L345 HydrophobicContact CD1-CB 4.26Å; Y336-L345 HydrophobicContact CD1-CD1 4.46Å; Y336-L345 HydrophobicContact CD2-CB 3.78Å; Y336-L345 HydrophobicContact CE1-CB 4.36Å; Y336-L345 HydrophobicContact CE1-CD1 4.39Å; Y336-L345 HydrophobicContact CE1-CD2 4.23Å; Y336-L345 HydrophobicContact CE2-CB 3.89Å; Y336-L345 HydrophobicContact CE2-CD2 4.26Å; Y336-L345 HydrophobicContact CG-CB 3.96Å; M342-L345 PolarHBondContact O-N 3.45Å; M342-L345 HydrophobicContact SD-CD2 4.32Å; L345-A348 WeakPolarHBondContact O-CB 3.41Å; L345-A348 PolarHBondContact O-N 2.73Å; L345-C349 PolarHBondContact O-N 2.87Å; L345-C349 PolarHBondContact O-SG 2.85Å; L345-L386 HydrophobicContact CD1-CD1 4.38Å; L345-P389 HydrophobicContact CD1-CB 3.52Å; L345-P389 HydrophobicContact CD1-CG 3.61Å
346Y98.9Very high98.9Very high1 Ų120.8 Ų20.80%0.00410%0.102CC..Hα-helixtrans-59.7-47.1174.1174.1-91.1000112.7A11 Y13 L17 A18 Y21 W310 M342 K343 Y344 A348 C349 K350A11-Y346 VanDerWaalsContact O-CE1 3.31Å; A11-Y346 WeakPolarHBondContact O-CE1 3.22Å; A11-Y346 PolarHBondContact O-OH 2.93Å; Y13-Y346 HydrophobicContact CD2-CD1 4.32Å; Y13-Y346 HydrophobicContact CD2-CD2 4.13Å; Y13-Y346 AromaticContact CD2-CG 3.77Å; Y13-Y346 HydrophobicContact CD2-CG 3.77Å; Y13-Y346 HydrophobicContact CG-CG 4.42Å; L17-Y346 HydrophobicContact CB-CE2 3.97Å; A18-Y346 HydrophobicContact CB-CD2 4.11Å; Y21-Y346 HydrophobicContact CD2-CD2 4.35Å; Y21-Y346 HydrophobicContact CD2-CE2 4.29Å; Y21-Y346 HydrophobicContact CE2-CE2 4.33Å; W310-Y346 HydrophobicContact CH2-CE1 4.42Å; M342-Y346 WeakPolarHBondContact O-CB 3.27Å; M342-Y346 PolarHBondContact O-N 2.87Å; K343-Y346 WeakPolarHBondContact O-CB 3.37Å; K343-Y346 PolarHBondContact O-N 3.37Å; Y344-Y346 VanDerWaalsContact C-N 3.29Å; Y344-Y346 PolarHBondContact O-N 3.29Å; Y346-A348 VanDerWaalsContact C-N 3.3Å; Y346-A348 PolarHBondContact O-N 3.01Å; Y346-C349 WeakPolarHBondContact O-CB 3.12Å; Y346-C349 PolarHBondContact O-N 2.91Å; Y346-C349 VanDerWaalsContact O-N 3.12Å; Y346-K350 HydrophobicContact CD1-CG 4.2Å; Y346-K350 HydrophobicContact CE1-CG 3.76Å; Y346-K350 HydrophobicContact CE2-CG 4.3Å; Y346-K350 WeakPolarHBondContact O-CG 3.4Å; Y346-K350 PolarHBondContact O-N 3.03Å; Y346-K350 WeakPolarHBondContact OH-CE 3.45Å
347R98.9Very high98.8Very high4 Ų424.1 Ų24.12%0.01512%0.118CC..Hα-helixtrans-61.5-38.6177.3-69.5-174171179-3.3111.9D12 A306 D307 W310 F332 K343 Y344 K350 F351D12-R347 IonicContact OD1-CZ 3.56Å; D12-R347 IonicContact OD1-NE 3.6Å; D12-R347 PolarHBondContact OD1-NE 3.28Å; D12-R347 VanDerWaalsContact OD1-NE 3.08Å; D12-R347 IonicContact OD1-NH2 2.69Å; D12-R347 IonicContact OD2-CZ 3.38Å; D12-R347 IonicContact OD2-NE 3.99Å; D12-R347 IonicContact OD2-NH2 2.77Å; D12-R347 PolarHBondContact OD2-NH2 3.14Å; A306-R347 PolarHBondContact O-NH1 3.12Å; D307-R347 IonicContact OD1-CZ 3.29Å; D307-R347 IonicContact OD1-NH1 2.74Å; D307-R347 PolarHBondContact OD1-NH1 2.85Å; D307-R347 IonicContact OD1-NH2 2.96Å; D307-R347 PolarHBondContact OD1-NH2 3.36Å; W310-R347 HydrophobicContact CD2-CB 4.49Å; W310-R347 HydrophobicContact CD2-CG 3.76Å; W310-R347 HydrophobicContact CE3-CB 3.63Å; W310-R347 HydrophobicContact CE3-CG 3.36Å; W310-R347 HydrophobicContact CG-CG 4.48Å; W310-R347 VanDerWaalsContact CG-NE 3.32Å; W310-R347 HydrophobicContact CH2-CG 4.12Å; W310-R347 HydrophobicContact CZ2-CG 4.46Å; W310-R347 HydrophobicContact CZ3-CB 3.69Å; W310-R347 HydrophobicContact CZ3-CG 3.56Å; F332-R347 HydrophobicContact CB-CB 4.41Å; F332-R347 HydrophobicContact CD1-CB 3.87Å; F332-R347 HydrophobicContact CD2-CB 3.81Å; F332-R347 HydrophobicContact CE1-CB 4.01Å; F332-R347 HydrophobicContact CE2-CB 3.97Å; F332-R347 HydrophobicContact CG-CB 3.77Å; F332-R347 HydrophobicContact CZ-CB 4.06Å; K343-R347 WeakPolarHBondContact O-CG 3.11Å; K343-R347 PolarHBondContact O-N 2.74Å; Y344-R347 PolarHBondContact O-N 3.24Å; R347-K350 PolarHBondContact O-N 3.01Å; R347-F351 WeakPolarHBondContact O-CD2 3.33Å; R347-F351 PolarHBondContact O-N 3.1Å
348A98.9Very high98.8Very high0 Ų024.6 Ų24.60%012%0.118CC..Hα-helixtrans-61-44.7172.100000112F332 L333 Y344 L345 Y346 K350 F351 A352 L386F332-A348 HydrophobicContact CB-CB 4.13Å; L333-A348 HydrophobicContact CD2-CB 3.65Å; L333-A348 HydrophobicContact CG-CB 3.82Å; Y344-A348 PolarHBondContact O-N 3.26Å; L345-A348 WeakPolarHBondContact O-CB 3.41Å; L345-A348 PolarHBondContact O-N 2.73Å; Y346-A348 VanDerWaalsContact C-N 3.3Å; Y346-A348 PolarHBondContact O-N 3.01Å; A348-K350 VanDerWaalsContact C-N 3.33Å; A348-K350 PolarHBondContact O-N 3.14Å; A348-F351 PolarHBondContact O-N 2.52Å; A348-A352 PolarHBondContact O-N 2.86Å; A348-L386 HydrophobicContact CB-CD1 4.3Å
349C98.9Very high98.8Very high0 Ų025.6 Ų25.60%014%0.137CC..Hα-helixtrans-62-38.6176.6-64.40000112.4Y21 F32 L345 Y346 A352 E353Y21-C349 HydrophobicContact CD1-CB 3.66Å; Y21-C349 HydrophobicContact CE1-CB 4.28Å; Y21-C349 HydrophobicContact CG-CB 4.02Å; F32-C349 HydrophobicContact CE1-CB 3.91Å; F32-C349 HydrophobicContact CZ-CB 4.06Å; L345-C349 PolarHBondContact O-N 2.87Å; L345-C349 PolarHBondContact O-SG 2.85Å; Y346-C349 WeakPolarHBondContact O-CB 3.12Å; Y346-C349 PolarHBondContact O-N 2.91Å; Y346-C349 VanDerWaalsContact O-N 3.12Å; C349-A352 WeakPolarHBondContact O-CB 3.33Å; C349-A352 PolarHBondContact O-N 2.61Å; C349-E353 PolarHBondContact O-N 3.23Å
350K98.9Very high98.8Very high24 Ų2430.5 Ų30.510%0.10416%0.157CC..Hα-helixtrans-69.2-33.1175.9-69.1-56.5-170.4179.30113.2Y10 Y21 W310 Y346 R347 A348 A352 E353 W354Y10-K350 HydrophobicContact CD1-CD 4.08Å; Y10-K350 HydrophobicContact CD2-CB 3.83Å; Y10-K350 HydrophobicContact CE2-CB 4.39Å; Y10-K350 WeakPolarHBondContact CE2-O 3.41Å; Y10-K350 HydrophobicContact CG-CB 4.04Å; Y10-K350 HydrophobicContact CG-CD 4.01Å; Y10-K350 HydrophobicContact CG-CG 4.26Å; Y21-K350 HydrophobicContact CE2-CD 4.33Å; Y21-K350 VanDerWaalsContact CE2-NZ 3.35Å; Y21-K350 PolarHBondContact OH-NZ 3.49Å; W310-K350 HydrophobicContact CH2-CB 3.83Å; W310-K350 HydrophobicContact CH2-CG 4.07Å; W310-K350 HydrophobicContact CZ3-CB 3.92Å; Y346-K350 HydrophobicContact CD1-CG 4.2Å; Y346-K350 HydrophobicContact CE1-CG 3.76Å; Y346-K350 HydrophobicContact CE2-CG 4.3Å; Y346-K350 WeakPolarHBondContact O-CG 3.4Å; Y346-K350 PolarHBondContact O-N 3.03Å; Y346-K350 WeakPolarHBondContact OH-CE 3.45Å; R347-K350 PolarHBondContact O-N 3.01Å; A348-K350 VanDerWaalsContact C-N 3.33Å; A348-K350 PolarHBondContact O-N 3.14Å; K350-A352 VanDerWaalsContact C-N 3.33Å; K350-E353 HydrophobicContact CD-CG 4.5Å; K350-E353 WeakPolarHBondContact O-CB 3.5Å; K350-E353 PolarHBondContact O-N 2.88Å; K350-W354 PolarHBondContact O-N 3Å
351F98.9Very high98.7Very high0 Ų027.5 Ų27.50%014%0.143CC..Hα-helixtrans-70.8-32.5170.7-86.3-126.6000111.8I309 W310 L314 A325 N328 A329 F332 R347 A348 W354 C355I309-F351 HydrophobicContact CG2-CE1 4.41Å; I309-F351 HydrophobicContact CG2-CZ 4.46Å; I309-F351 WeakPolarHBondContact O-CZ 3.26Å; W310-F351 HydrophobicContact CE3-CD2 4.22Å; W310-F351 AromaticContact CE3-CE2 3.67Å; W310-F351 HydrophobicContact CE3-CE2 3.67Å; W310-F351 HydrophobicContact CZ3-CD2 4.01Å; W310-F351 AromaticContact CZ3-CE2 3.85Å; W310-F351 HydrophobicContact CZ3-CE2 3.85Å; L314-F351 HydrophobicContact CD2-CD1 3.84Å; L314-F351 HydrophobicContact CD2-CD2 4.06Å; L314-F351 HydrophobicContact CD2-CE1 3.72Å; L314-F351 HydrophobicContact CD2-CE2 3.91Å; L314-F351 HydrophobicContact CD2-CG 4.01Å; L314-F351 HydrophobicContact CD2-CZ 3.74Å; L314-F351 HydrophobicContact CG-CE1 4.37Å; L314-F351 HydrophobicContact CG-CE2 4.25Å; L314-F351 HydrophobicContact CG-CZ 4.01Å; A325-F351 WeakPolarHBondContact O-CD1 3.18Å; N328-F351 HydrophobicContact CB-CE1 4.09Å; A329-F351 HydrophobicContact CB-CB 3.56Å; A329-F351 HydrophobicContact CB-CD1 3.97Å; A329-F351 HydrophobicContact CB-CG 4.09Å; F332-F351 HydrophobicContact CE2-CD1 4.2Å; F332-F351 AromaticContact CE2-CD2 3.73Å; F332-F351 HydrophobicContact CE2-CD2 3.73Å; F332-F351 HydrophobicContact CE2-CE1 4.08Å; F332-F351 AromaticContact CE2-CE2 3.62Å; F332-F351 HydrophobicContact CE2-CE2 3.62Å; F332-F351 HydrophobicContact CE2-CG 4.04Å; F332-F351 AromaticContact CE2-CZ 3.81Å; F332-F351 HydrophobicContact CE2-CZ 3.81Å; F332-F351 HydrophobicContact CZ-CE2 4.09Å; F332-F351 HydrophobicContact CZ-CZ 4.17Å; R347-F351 WeakPolarHBondContact O-CD2 3.33Å; R347-F351 PolarHBondContact O-N 3.1Å; A348-F351 PolarHBondContact O-N 2.52Å; F351-W354 WeakPolarHBondContact O-CB 3.41Å; F351-W354 PolarHBondContact O-N 3.28Å; F351-C355 PolarHBondContact O-N 3.12Å; F351-C355 VanDerWaalsContact O-N 3.09Å
352A98.9Very high98.7Very high0 Ų028.2 Ų28.20%016%0.164CC..Hα-helixtrans-63.7-41.6168.600000112.4F32 L36 A348 C349 K350 W354 C355 L356 F382 L383 L386F32-A352 HydrophobicContact CZ-CB 4.18Å; L36-A352 HydrophobicContact CD2-CB 4.02Å; A348-A352 PolarHBondContact O-N 2.86Å; C349-A352 WeakPolarHBondContact O-CB 3.33Å; C349-A352 PolarHBondContact O-N 2.61Å; K350-A352 VanDerWaalsContact C-N 3.33Å; A352-W354 VanDerWaalsContact C-N 3.28Å; A352-W354 PolarHBondContact O-N 3.47Å; A352-C355 CarbonylContact O-C 3.5Å; A352-C355 WeakPolarHBondContact O-CA 3.48Å; A352-C355 WeakPolarHBondContact O-CB 3.43Å; A352-C355 PolarHBondContact O-N 2.88Å; A352-L356 WeakPolarHBondContact O-CG 3.4Å; A352-L356 PolarHBondContact O-N 2.81Å; A352-F382 HydrophobicContact CB-CE1 3.87Å; A352-F382 HydrophobicContact CB-CZ 4.12Å; A352-L383 HydrophobicContact CB-CD2 3.94Å; A352-L386 HydrophobicContact CB-CD2 3.36Å
353E98.9Very high98.7Very high17 Ų1727.7 Ų27.78%0.07916%0.164CC..Hα-helixtrans-53.3-46.3171.7-74-76.7-174.600111.6Y10 Y21 F32 R35 C349 K350 C355 L356Y10-E353 HydrophobicContact CE1-CB 4.37Å; Y21-E353 HydrophobicContact CE1-CG 3.88Å; Y21-E353 VanDerWaalsContact CE1-OE1 3.31Å; Y21-E353 WeakPolarHBondContact CE1-OE1 3.2Å; Y21-E353 PolarHBondContact OH-OE1 3.25Å; F32-E353 HydrophobicContact CE2-CG 4.33Å; R35-E353 IonicContact CZ-OE1 2.66Å; R35-E353 IonicContact CZ-OE2 3.43Å; R35-E353 IonicContact NH1-OE1 2.62Å; R35-E353 PolarHBondContact NH1-OE1 3.4Å; R35-E353 IonicContact NH1-OE2 3.1Å; R35-E353 PolarHBondContact NH1-OE2 2.84Å; R35-E353 IonicContact NH2-OE1 3.14Å; R35-E353 IonicContact NH2-OE2 3.81Å; R35-E353 PolarHBondContact NH2-OE2 2.96Å; C349-E353 PolarHBondContact O-N 3.23Å; K350-E353 HydrophobicContact CD-CG 4.5Å; K350-E353 WeakPolarHBondContact O-CB 3.5Å; K350-E353 PolarHBondContact O-N 2.88Å; E353-C355 VanDerWaalsContact C-N 3.28Å; E353-C355 PolarHBondContact O-N 2.69Å; E353-L356 WeakPolarHBondContact O-CB 3.44Å; E353-L356 PolarHBondContact O-N 3.38Å
354W98.9Very high98.6Very high12 Ų1230.5 Ų30.55%0.04517%0.174CC..Hα-helixtrans-58.8-39.1174.7-176.8-92.1000112.8F6 P9 Y10 L314 Y319 K350 F351 A352 L356 E357 H361F6-W354 HydrophobicContact CB-CH2 3.77Å; F6-W354 HydrophobicContact CB-CZ2 4.14Å; F6-W354 HydrophobicContact CD1-CH2 4.21Å; F6-W354 AromaticContact CD2-CH2 3.75Å; F6-W354 HydrophobicContact CD2-CH2 3.75Å; F6-W354 AromaticContact CD2-CZ2 3.32Å; F6-W354 HydrophobicContact CD2-CZ2 3.32Å; F6-W354 HydrophobicContact CE2-CH2 4.34Å; F6-W354 AromaticContact CE2-CZ2 3.71Å; F6-W354 HydrophobicContact CE2-CZ2 3.71Å; F6-W354 AromaticContact CG-CH2 3.65Å; F6-W354 HydrophobicContact CG-CH2 3.65Å; F6-W354 AromaticContact CG-CZ2 3.76Å; F6-W354 HydrophobicContact CG-CZ2 3.76Å; F6-W354 HydrophobicContact CZ-CZ2 4.47Å; P9-W354 HydrophobicContact CG-CZ3 4.47Å; Y10-W354 HydrophobicContact CE2-CB 4.22Å; Y10-W354 HydrophobicContact CE2-CE3 4.46Å; Y10-W354 VanDerWaalsContact OH-CA 3.3Å; Y10-W354 WeakPolarHBondContact OH-CA 3.45Å; Y10-W354 WeakPolarHBondContact OH-CB 3.37Å; Y10-W354 PolarHBondContact OH-N 2.76Å; Y10-W354 VanDerWaalsContact OH-N 3.16Å; L314-W354 HydrophobicContact CD1-CD2 4.06Å; L314-W354 HydrophobicContact CD1-CE3 3.84Å; L314-W354 HydrophobicContact CD1-CZ3 4.26Å; L314-W354 HydrophobicContact CD2-CB 3.94Å; L314-W354 HydrophobicContact CD2-CD2 3.99Å; L314-W354 HydrophobicContact CD2-CG 3.67Å; L314-W354 HydrophobicContact CG-CD2 4.43Å; Y319-W354 AromaticContact CD1-CD1 3.77Å; Y319-W354 AromaticContact CD1-NE1 3.86Å; Y319-W354 AromaticContact CE1-CD1 3.53Å; Y319-W354 AromaticContact CE1-NE1 3.35Å; Y319-W354 VanDerWaalsContact CE1-NE1 3.35Å; K350-W354 PolarHBondContact O-N 3Å; F351-W354 WeakPolarHBondContact O-CB 3.41Å; F351-W354 PolarHBondContact O-N 3.28Å; A352-W354 VanDerWaalsContact C-N 3.28Å; A352-W354 PolarHBondContact O-N 3.47Å; W354-L356 VanDerWaalsContact C-N 3.33Å; W354-E357 PolarHBondContact O-N 3.02Å; W354-H361 AromaticContact CD2-CD2 3.74Å; W354-H361 AromaticContact CD2-NE2 3.64Å; W354-H361 AromaticContact CE2-CD2 3.26Å; W354-H361 AromaticContact CE2-CG 3.81Å; W354-H361 AromaticContact CE2-NE2 3.68Å; W354-H361 AromaticContact CE3-CE1 3.94Å; W354-H361 AromaticContact CE3-NE2 3.66Å; W354-H361 HydrophobicContact CH2-CB 4.09Å; W354-H361 AromaticContact CH2-CD2 3.67Å; W354-H361 AromaticContact CH2-CE1 3.65Å; W354-H361 AromaticContact CH2-CG 3.44Å; W354-H361 VanDerWaalsContact CH2-CG 3.44Å; W354-H361 AromaticContact CH2-ND1 3.42Å; W354-H361 WeakPolarHBondContact CH2-ND1 3.36Å; W354-H361 AromaticContact CH2-NE2 3.8Å; W354-H361 HydrophobicContact CZ2-CB 3.69Å; W354-H361 AromaticContact CZ2-CD2 3.23Å; W354-H361 WeakPolarHBondContact CZ2-CD2 3.41Å; W354-H361 AromaticContact CZ2-CG 3.24Å; W354-H361 AromaticContact CZ2-ND1 3.77Å; W354-H361 AromaticContact CZ2-NE2 3.77Å; W354-H361 AromaticContact CZ3-CE1 3.6Å; W354-H361 AromaticContact CZ3-ND1 3.84Å; W354-H361 AromaticContact CZ3-NE2 3.75Å; W354-H361 AromaticContact NE1-CD2 3.69Å
355C98.9Very high98.5Very high0 Ų035 Ų350%020%0.202CC..Hα-helixtrans-73-20.2175.4-72.70000113.7F351 A352 E353 E357 Y358 T379 L383F351-C355 PolarHBondContact O-N 3.12Å; F351-C355 VanDerWaalsContact O-N 3.09Å; A352-C355 CarbonylContact O-C 3.5Å; A352-C355 WeakPolarHBondContact O-CA 3.48Å; A352-C355 WeakPolarHBondContact O-CB 3.43Å; A352-C355 PolarHBondContact O-N 2.88Å; E353-C355 VanDerWaalsContact C-N 3.28Å; E353-C355 PolarHBondContact O-N 2.69Å; C355-E357 PolarHBondContact O-N 3.36Å; C355-Y358 WeakPolarHBondContact O-CB 3.39Å; C355-Y358 PolarHBondContact O-N 3.21Å; C355-T379 HydrophobicContact CB-CG2 3.94Å; C355-L383 HydrophobicContact CB-CD2 4.07Å
356L98.9Very high98.5Very high16 Ų1635.7 Ų35.78%0.08421%0.207CC..Hα-helixtrans-68.4-27.1173.4-66.5179.9000111.5F32 R35 L36 K39 A352 E353 W354 Y358F32-L356 HydrophobicContact CE2-CD1 4.42Å; R35-L356 HydrophobicContact CB-CD1 4.34Å; R35-L356 VanDerWaalsContact NH2-CD1 3.33Å; L36-L356 HydrophobicContact CD2-CD2 4.24Å; K39-L356 HydrophobicContact CB-CD2 3.4Å; K39-L356 HydrophobicContact CD-CD2 4.44Å; K39-L356 WeakPolarHBondContact CD-O 3.45Å; K39-L356 WeakPolarHBondContact CE-O 3.49Å; K39-L356 HydrophobicContact CG-CD2 3.68Å; K39-L356 PolarHBondContact NZ-O 2.94Å; A352-L356 WeakPolarHBondContact O-CG 3.4Å; A352-L356 PolarHBondContact O-N 2.81Å; E353-L356 WeakPolarHBondContact O-CB 3.44Å; E353-L356 PolarHBondContact O-N 3.38Å; W354-L356 VanDerWaalsContact C-N 3.33Å; L356-Y358 PolarHBondContact O-N 3.32Å
357E98.7Very high98.4Very high72 Ų7241.4 Ų41.434%0.33624%0.237SC..THydrogen-bonded Turntrans-89.431.2173.8-63171.4-170.100111.8W354 C355 G359 E360 H361W354-E357 PolarHBondContact O-N 3.02Å; C355-E357 PolarHBondContact O-N 3.36Å; E357-G359 PolarHBondContact O-N 2.88Å; E357-G359 VanDerWaalsContact O-N 3.08Å; E357-E360 HydrophobicContact CB-CB 4.32Å; E357-E360 WeakPolarHBondContact O-CB 3.4Å; E357-E360 PolarHBondContact O-N 2.98Å; E357-H361 WeakPolarHBondContact CB-NE2 3.42Å; E357-H361 IonicContact OE2-CE1 2.71Å; E357-H361 PolarHBondContact OE2-CE1 3.09Å; E357-H361 IonicContact OE2-NE2 3.75Å; E357-H361 PolarHBondContact OE2-NE2 3.35Å; E357-H361 VanDerWaalsContact OE2-NE2 3.09Å
358Y98.6Very high98.4Very high42 Ų4243.3 Ų43.317%0.16525%0.249CC..THydrogen-bonded Turntrans-53.5118.5-178.4-169.3-78.4000111.6L43 Y319 C355 L356 M376 T379L43-Y358 HydrophobicContact CD2-CD1 4.24Å; L43-Y358 HydrophobicContact CD2-CG 4.2Å; Y319-Y358 HydrophobicContact CD1-CD2 4.31Å; Y319-Y358 AromaticContact CD2-CD2 3.64Å; Y319-Y358 HydrophobicContact CD2-CD2 3.64Å; Y319-Y358 AromaticContact CD2-CE2 3.57Å; Y319-Y358 HydrophobicContact CD2-CE2 3.57Å; Y319-Y358 HydrophobicContact CD2-CG 4.27Å; Y319-Y358 HydrophobicContact CE2-CD2 4.22Å; Y319-Y358 HydrophobicContact CE2-CE2 4.42Å; Y319-Y358 HydrophobicContact CE2-CG 4.42Å; Y319-Y358 AromaticContact CG-CD2 3.71Å; Y319-Y358 HydrophobicContact CG-CD2 3.71Å; Y319-Y358 AromaticContact CG-CE2 3.83Å; Y319-Y358 HydrophobicContact CG-CE2 3.83Å; C355-Y358 WeakPolarHBondContact O-CB 3.39Å; C355-Y358 PolarHBondContact O-N 3.21Å; L356-Y358 PolarHBondContact O-N 3.32Å; Y358-M376 HydrophobicContact CD1-CE 4.29Å; Y358-M376 HydrophobicContact CE1-CE 3.73Å; Y358-T379 HydrophobicContact CD2-CG2 4.03Å; Y358-T379 HydrophobicContact CE2-CG2 4.3Å
359G97.3Very high98.4Very high57 Ų5745.1 Ų45.159%0.58826%0.261SS*.THydrogen-bonded Turntrans96.9-6178.500000114.7Y319 E357Y319-G359 PolarHBondContact OH-N 2.88Å; E357-G359 PolarHBondContact O-N 2.88Å; E357-G359 VanDerWaalsContact O-N 3.08Å
360E98.3Very high98.4Very high140 Ų14047.4 Ų47.465%0.65427%0.271SS*.THydrogen-bonded Turntrans-91.4-11-174.1-59.2-176.9-157.600113.5E357E357-E360 HydrophobicContact CB-CB 4.32Å; E357-E360 WeakPolarHBondContact O-CB 3.4Å; E357-E360 PolarHBondContact O-N 2.98Å
361H98.2Very high98.4Very high40 Ų4046.4 Ų46.419%0.18527%0.268CS..THydrogen-bonded Turntrans-94.44.9-174-59.7-51.7000115.4F6 Y319 W354 E357 C363F6-H361 HydrophobicContact CE1-CB 4.47Å; F6-H361 HydrophobicContact CE2-CB 4.18Å; F6-H361 HydrophobicContact CZ-CB 3.94Å; F6-H361 WeakPolarHBondContact CZ-O 3.29Å; Y319-H361 AromaticContact CE1-CD2 3.9Å; Y319-H361 AromaticContact CZ-CD2 3.87Å; Y319-H361 WeakPolarHBondContact OH-CB 3.02Å; Y319-H361 PolarHBondContact OH-CD2 2.81Å; W354-H361 AromaticContact CD2-CD2 3.74Å; W354-H361 AromaticContact CD2-NE2 3.64Å; W354-H361 AromaticContact CE2-CD2 3.26Å; W354-H361 AromaticContact CE2-CG 3.81Å; W354-H361 AromaticContact CE2-NE2 3.68Å; W354-H361 AromaticContact CE3-CE1 3.94Å; W354-H361 AromaticContact CE3-NE2 3.66Å; W354-H361 HydrophobicContact CH2-CB 4.09Å; W354-H361 AromaticContact CH2-CD2 3.67Å; W354-H361 AromaticContact CH2-CE1 3.65Å; W354-H361 AromaticContact CH2-CG 3.44Å; W354-H361 VanDerWaalsContact CH2-CG 3.44Å; W354-H361 AromaticContact CH2-ND1 3.42Å; W354-H361 WeakPolarHBondContact CH2-ND1 3.36Å; W354-H361 AromaticContact CH2-NE2 3.8Å; W354-H361 HydrophobicContact CZ2-CB 3.69Å; W354-H361 AromaticContact CZ2-CD2 3.23Å; W354-H361 WeakPolarHBondContact CZ2-CD2 3.41Å; W354-H361 AromaticContact CZ2-CG 3.24Å; W354-H361 AromaticContact CZ2-ND1 3.77Å; W354-H361 AromaticContact CZ2-NE2 3.77Å; W354-H361 AromaticContact CZ3-CE1 3.6Å; W354-H361 AromaticContact CZ3-ND1 3.84Å; W354-H361 AromaticContact CZ3-NE2 3.75Å; W354-H361 AromaticContact NE1-CD2 3.69Å; E357-H361 WeakPolarHBondContact CB-NE2 3.42Å; E357-H361 IonicContact OE2-CE1 2.71Å; E357-H361 PolarHBondContact OE2-CE1 3.09Å; E357-H361 IonicContact OE2-NE2 3.75Å; E357-H361 PolarHBondContact OE2-NE2 3.35Å; E357-H361 VanDerWaalsContact OE2-NE2 3.09Å; H361-C363 PolarHBondContact O-N 3.49Å
362G97.9Very high98.4Very high75 Ų7546.4 Ų46.477%0.77327%0.268SS*.  trans66.322.6-17600000113.9
363C98.1Very high98.4Very high26 Ų2646.4 Ų46.418%0.17627%0.268CS..PPolyproline II helixtrans-61145.6171.6-67.60000110.5Y319 H361Y319-C363 HydrophobicContact CE2-CB 3.95Å; H361-C363 PolarHBondContact O-N 3.49Å
364R96.7Very high98.4Very high104 Ų10447 Ų4739%0.39227%0.27SS..PPolyproline II helixtrans-60.7150.5171.170.1174.9-160.8114.8-0.3110.8D367R364-D367 IonicContact CZ-OD1 3.71Å; R364-D367 IonicContact NH1-OD1 2.79Å; R364-D367 PolarHBondContact NH1-OD1 3.35Å; R364-D367 IonicContact NH2-OD1 3.57Å
365T97.9Very high98.3Very high104 Ų10446.5 Ų46.564%0.63827%0.268SS*.PPolyproline II helixtrans-68.6133.2165.7-53.80000109.5P369T365-P369 HydrophobicContact CG2-CB 3.94Å; T365-P369 HydrophobicContact CG2-CG 3.66Å
366P98.2Very high98.3Very high16 Ų1646.8 Ų46.810%0.10427%0.27CS..PPolyproline II helixtrans-63.4159173-19.431.7000112.1T368 P369 E374P366-T368 VanDerWaalsContact C-N 3.28Å; P366-T368 PolarHBondContact O-N 3.29Å; P366-P369 WeakPolarHBondContact O-CG 3.37Å; P366-E374 HydrophobicContact CB-CB 4.12Å; P366-E374 WeakPolarHBondContact CB-O 3.42Å; P366-E374 VanDerWaalsContact CG-O 3.29Å; P366-E374 WeakPolarHBondContact CG-O 3.19Å
367D98Very high98.3Very high121 Ų12146 Ų4665%0.64727%0.266SS*.SBendtrans-65.6-37.5-178.4-57.412.7000110.3R364R364-D367 IonicContact CZ-OD1 3.71Å; R364-D367 IonicContact NH1-OD1 2.79Å; R364-D367 PolarHBondContact NH1-OD1 3.35Å; R364-D367 IonicContact NH2-OD1 3.57Å
368T98.3Very high98.3Very high43 Ų4342.6 Ų42.626%0.26425%0.25SC..SBendtrans-114.988.1165.957.60000110.3T63 P366 F370 S371 E374T63-T368 HydrophobicContact CG2-CG2 4.08Å; T63-T368 WeakPolarHBondContact CG2-OG1 3.38Å; P366-T368 VanDerWaalsContact C-N 3.28Å; P366-T368 PolarHBondContact O-N 3.29Å; T368-F370 PolarHBondContact O-N 3.32Å; T368-S371 PolarHBondContact O-N 3.33Å; T368-S371 VanDerWaalsContact O-N 3.17Å; T368-S371 PolarHBondContact O-OG 2.88Å; T368-S371 VanDerWaalsContact OG1-CB 3.27Å; T368-S371 WeakPolarHBondContact OG1-CB 3.15Å; T368-S371 PolarHBondContact OG1-OG 3.41Å; T368-E374 PolarHBondContact N-OE2 3.25Å; T368-E374 PolarHBondContact OG1-OE2 3.45Å
369P98.5Very high98.4Very high39 Ų3940.6 Ų40.625%0.25324%0.242SC..THydrogen-bonded Turntrans-61.8-18.9-164-21.229.2000115.5T365 P366 G375 M376T365-P369 HydrophobicContact CG2-CB 3.94Å; T365-P369 HydrophobicContact CG2-CG 3.66Å; P366-P369 WeakPolarHBondContact O-CG 3.37Å; P369-G375 CarbonylContact O-C 3.49Å; P369-G375 WeakPolarHBondContact O-CA 3.42Å; P369-M376 PolarHBondContact O-N 3.09Å
370F98.7Very high98.4Very high47 Ų4737.9 Ų37.921%0.20621%0.214CC..THydrogen-bonded Turntrans-115.40.6-173.5-50.6-66.1000113.4M47 G50 V51 I68 T368 M376 A377M47-F370 HydrophobicContact CB-CD1 4.49Å; M47-F370 HydrophobicContact CG-CB 4.08Å; M47-F370 HydrophobicContact CG-CD1 4.44Å; G50-F370 VanDerWaalsContact CA-CZ 3.48Å; V51-F370 HydrophobicContact CG1-CB 3.71Å; V51-F370 HydrophobicContact CG1-CG 4.38Å; I68-F370 VanDerWaalsContact CD1-O 3.28Å; I68-F370 WeakPolarHBondContact CD1-O 3.31Å; T368-F370 PolarHBondContact O-N 3.32Å; F370-M376 HydrophobicContact CD1-CB 4.27Å; F370-M376 HydrophobicContact CD1-SD 4.45Å; F370-M376 HydrophobicContact CE1-CE 4.42Å; F370-A377 VanDerWaalsContact O-CB 3.22Å; F370-A377 WeakPolarHBondContact O-CB 3.32Å
371S98.9Very high98.5Very high4 Ų432.5 Ų32.53%0.02819%0.188CC..SBendtrans-69.5166.1-17864.20000114T63 T368 E374 G375 A377T63-S371 WeakPolarHBondContact O-CB 3.2Å; T368-S371 PolarHBondContact O-N 3.33Å; T368-S371 VanDerWaalsContact O-N 3.17Å; T368-S371 PolarHBondContact O-OG 2.88Å; T368-S371 VanDerWaalsContact OG1-CB 3.27Å; T368-S371 WeakPolarHBondContact OG1-CB 3.15Å; T368-S371 PolarHBondContact OG1-OG 3.41Å; S371-E374 WeakPolarHBondContact OG-CB 3.3Å; S371-E374 PolarHBondContact OG-N 3.35Å; S371-G375 CarbonylContact O-C 3.19Å; S371-G375 WeakPolarHBondContact O-CA 3.44Å; S371-G375 PolarHBondContact O-N 3.19Å; S371-G375 VanDerWaalsContact O-N 3.1Å; S371-G375 PolarHBondContact OG-N 3.16Å; S371-A377 PolarHBondContact O-N 2.98Å
372L98.9Very high98.5Very high0 Ų030.6 Ų30.60%018%0.179CC..SBendtrans-66.4-47.3178-176.464.5000112V70 L321 G378 Y381V70-L372 HydrophobicContact CB-CD2 4.21Å; V70-L372 HydrophobicContact CG1-CD2 4.02Å; L321-L372 HydrophobicContact CD1-CD1 4.23Å; L321-L372 HydrophobicContact CD1-CG 4.4Å; L321-L372 WeakPolarHBondContact CD1-O 3.24Å; L372-G378 WeakPolarHBondContact O-CA 3.45Å; L372-G378 PolarHBondContact O-N 3.14Å; L372-Y381 HydrophobicContact CD1-CD2 4.09Å
373F98.9Very high98.5Very high0 Ų027 Ų270%014%0.142CC..SBendtrans-91.5-27-171.5-90.5-107.8000114.8Y62 L107 W275 L321 C322 F394 P395 A396Y62-F373 HydrophobicContact CD1-CB 4.41Å; Y62-F373 HydrophobicContact CD2-CB 3.36Å; Y62-F373 AromaticContact CD2-CD1 3.64Å; Y62-F373 HydrophobicContact CD2-CD1 3.64Å; Y62-F373 HydrophobicContact CD2-CD2 4.1Å; Y62-F373 AromaticContact CD2-CG 3.4Å; Y62-F373 HydrophobicContact CD2-CG 3.4Å; Y62-F373 HydrophobicContact CE1-CB 4.34Å; Y62-F373 HydrophobicContact CE2-CB 3.34Å; Y62-F373 AromaticContact CE2-CD1 3.54Å; Y62-F373 HydrophobicContact CE2-CD1 3.54Å; Y62-F373 AromaticContact CE2-CG 3.61Å; Y62-F373 HydrophobicContact CE2-CG 3.61Å; Y62-F373 HydrophobicContact CG-CB 3.9Å; Y62-F373 HydrophobicContact CG-CG 4.24Å; Y62-F373 WeakPolarHBondContact O-CB 3.41Å; Y62-F373 PolarHBondContact O-N 3.48Å; L107-F373 HydrophobicContact CD1-CE1 4.35Å; L107-F373 HydrophobicContact CD1-CZ 4.2Å; L107-F373 HydrophobicContact CD2-CD2 3.75Å; L107-F373 HydrophobicContact CD2-CE1 4.14Å; L107-F373 HydrophobicContact CD2-CE2 3.24Å; L107-F373 HydrophobicContact CD2-CG 4.42Å; L107-F373 HydrophobicContact CD2-CZ 3.47Å; L107-F373 VanDerWaalsContact CD2-CZ 3.47Å; L107-F373 HydrophobicContact CG-CZ 4.49Å; W275-F373 HydrophobicContact CE3-CE1 4.23Å; W275-F373 AromaticContact CH2-CE1 3.82Å; W275-F373 HydrophobicContact CH2-CE1 3.82Å; W275-F373 HydrophobicContact CZ2-CE1 4.45Å; W275-F373 HydrophobicContact CZ3-CD1 4.03Å; W275-F373 AromaticContact CZ3-CE1 3.69Å; W275-F373 HydrophobicContact CZ3-CE1 3.69Å; L321-F373 PolarHBondContact N-O 3.22Å; L321-F373 VanDerWaalsContact N-O 3.14Å; C322-F373 HydrophobicContact CB-CB 4.24Å; C322-F373 HydrophobicContact CB-CD1 4.04Å; C322-F373 WeakPolarHBondContact CB-O 3.49Å; C322-F373 PolarHBondContact N-O 3.26Å; F373-F394 AromaticContact CE1-CE1 3.83Å; F373-F394 HydrophobicContact CE1-CE1 3.83Å; F373-F394 HydrophobicContact CE1-CZ 4.27Å; F373-F394 HydrophobicContact CZ-CE1 4Å; F373-P395 WeakPolarHBondContact CZ-O 3.25Å; F373-A396 HydrophobicContact CE2-CB 3.86Å; F373-A396 HydrophobicContact CZ-CB 3.84Å
374E98.8Very high98.6Very high30 Ų3025.8 Ų25.814%0.1413%0.134CC..SBendtrans-106-32.2-179.5-51.5-174.1150.300112.3Y62 T63 P366 T368 S371Y62-E374 HydrophobicContact CE1-CG 4.03Å; T63-E374 HydrophobicContact CG2-CG 4.21Å; P366-E374 HydrophobicContact CB-CB 4.12Å; P366-E374 WeakPolarHBondContact CB-O 3.42Å; P366-E374 VanDerWaalsContact CG-O 3.29Å; P366-E374 WeakPolarHBondContact CG-O 3.19Å; T368-E374 PolarHBondContact N-OE2 3.25Å; T368-E374 PolarHBondContact OG1-OE2 3.45Å; S371-E374 WeakPolarHBondContact OG-CB 3.3Å; S371-E374 PolarHBondContact OG-N 3.35Å
375G98.3Very high98.7Very high0 Ų021.4 Ų21.40%012%0.118CC..SBendtrans-108.4-160.7-163.700000116.3P369 S371 A377 G378P369-G375 CarbonylContact O-C 3.49Å; P369-G375 WeakPolarHBondContact O-CA 3.42Å; S371-G375 CarbonylContact O-C 3.19Å; S371-G375 WeakPolarHBondContact O-CA 3.44Å; S371-G375 PolarHBondContact O-N 3.19Å; S371-G375 VanDerWaalsContact O-N 3.1Å; S371-G375 PolarHBondContact OG-N 3.16Å; G375-A377 PolarHBondContact O-N 2.99Å; G375-G378 PolarHBondContact O-N 2.81Å
376M98.9Very high98.7Very high7 Ų716.4 Ų16.43%0.0349%0.088CC..Hα-helixtrans-63.4-36.5-173.4-169.9176.5-7400112.9L43 Q46 M47 Y358 P369 F370 G378 T379 I380L43-M376 HydrophobicContact CB-CG 4.18Å; L43-M376 HydrophobicContact CB-SD 4Å; L43-M376 HydrophobicContact CD2-CE 3.99Å; L43-M376 HydrophobicContact CD2-CG 4.39Å; L43-M376 HydrophobicContact CD2-SD 4.01Å; Q46-M376 HydrophobicContact CB-CE 4.07Å; Q46-M376 HydrophobicContact CB-SD 3.86Å; M47-M376 HydrophobicContact CB-CG 4.49Å; M47-M376 HydrophobicContact CB-SD 3.96Å; Y358-M376 HydrophobicContact CD1-CE 4.29Å; Y358-M376 HydrophobicContact CE1-CE 3.73Å; P369-M376 PolarHBondContact O-N 3.09Å; F370-M376 HydrophobicContact CD1-CB 4.27Å; F370-M376 HydrophobicContact CD1-SD 4.45Å; F370-M376 HydrophobicContact CE1-CE 4.42Å; M376-G378 PolarHBondContact O-N 3.29Å; M376-T379 PolarHBondContact O-N 2.85Å; M376-I380 HydrophobicContact CG-CD1 3.9Å; M376-I380 HydrophobicContact CG-CG1 4.26Å; M376-I380 WeakPolarHBondContact O-CG1 3.31Å; M376-I380 PolarHBondContact O-N 2.84Å
377A98.9Very high98.8Very high0 Ų017.1 Ų17.10%09%0.09CC..Hα-helixtrans-58.2-37.2179.300000111.9M47 I68 L71 F370 S371 G375 I380 Y381M47-A377 HydrophobicContact SD-CB 3.68Å; I68-A377 HydrophobicContact CD1-CB 3.75Å; L71-A377 HydrophobicContact CD2-CB 3.72Å; F370-A377 VanDerWaalsContact O-CB 3.22Å; F370-A377 WeakPolarHBondContact O-CB 3.32Å; S371-A377 PolarHBondContact O-N 2.98Å; G375-A377 PolarHBondContact O-N 2.99Å; A377-I380 PolarHBondContact O-N 2.93Å; A377-Y381 WeakPolarHBondContact O-CB 3.15Å; A377-Y381 PolarHBondContact O-N 3.06Å
378G98.9Very high98.8Very high0 Ų014.3 Ų14.30%08%0.077CC..Hα-helixtrans-65.9-39.8174.800000114.4L321 L372 G375 M376 Y381 F382L321-G378 WeakPolarHBondContact CD2-O 3.32Å; L372-G378 WeakPolarHBondContact O-CA 3.45Å; L372-G378 PolarHBondContact O-N 3.14Å; G375-G378 PolarHBondContact O-N 2.81Å; M376-G378 PolarHBondContact O-N 3.29Å; G378-Y381 PolarHBondContact O-N 3.13Å; G378-F382 PolarHBondContact O-N 3.01Å; G378-F382 VanDerWaalsContact O-N 3.13Å
379T98.9Very high98.8Very high0 Ų012.5 Ų12.50%07%0.067CC..Hα-helixtrans-66.5-43.6176.1-52.30000110.3Y319 A326 C355 Y358 M376 Y381 F382 L383Y319-T379 PolarHBondContact O-OG1 3.11Å; A326-T379 HydrophobicContact CB-CG2 4.49Å; C355-T379 HydrophobicContact CB-CG2 3.94Å; Y358-T379 HydrophobicContact CD2-CG2 4.03Å; Y358-T379 HydrophobicContact CE2-CG2 4.3Å; M376-T379 PolarHBondContact O-N 2.85Å; T379-Y381 VanDerWaalsContact C-N 3.32Å; T379-Y381 PolarHBondContact O-N 2.78Å; T379-F382 PolarHBondContact O-N 3.22Å; T379-L383 HydrophobicContact CG2-CD1 4.46Å; T379-L383 WeakPolarHBondContact O-CG 3.48Å; T379-L383 PolarHBondContact O-N 3.42Å; T379-L383 VanDerWaalsContact O-N 3.08Å
380I98.9Very high98.8Very high0 Ų014.4 Ų14.40%08%0.078CC..Hα-helixtrans-59.7-45.1175.6-64165.8000110.4I40 L43 L44 M47 L71 L75 M376 A377 F382 L383 A384I40-I380 HydrophobicContact CG2-CG2 4.08Å; L43-I380 HydrophobicContact CB-CD1 3.79Å; L43-I380 HydrophobicContact CB-CG1 3.68Å; L43-I380 HydrophobicContact CD1-CG1 4.23Å; L44-I380 HydrophobicContact CD2-CD1 4.03Å; L44-I380 HydrophobicContact CD2-CG2 4.2Å; L44-I380 HydrophobicContact CG-CD1 4.13Å; L44-I380 HydrophobicContact CG-CG2 4.13Å; M47-I380 HydrophobicContact CB-CD1 4.2Å; M47-I380 HydrophobicContact SD-CD1 3.94Å; L71-I380 HydrophobicContact CD1-CB 4.29Å; L71-I380 HydrophobicContact CD1-CG2 3.92Å; L71-I380 HydrophobicContact CD2-CB 4.36Å; L71-I380 HydrophobicContact CD2-CG2 4.27Å; L75-I380 HydrophobicContact CD2-CG2 4.44Å; M376-I380 HydrophobicContact CG-CD1 3.9Å; M376-I380 HydrophobicContact CG-CG1 4.26Å; M376-I380 WeakPolarHBondContact O-CG1 3.31Å; M376-I380 PolarHBondContact O-N 2.84Å; A377-I380 PolarHBondContact O-N 2.93Å; I380-F382 VanDerWaalsContact C-N 3.34Å; I380-F382 PolarHBondContact O-N 2.74Å; I380-L383 PolarHBondContact O-N 3.33Å; I380-A384 PolarHBondContact O-N 3.06Å
381Y98.9Very high98.8Very high27 Ų2719.6 Ų19.611%0.10610%0.1CC..Hα-helixtrans-54.6-51.8178.3-164.1-68.9000110.6V70 L71 H74 Y330 L372 A377 G378 T379 L383 A384 D385 P395V70-Y381 HydrophobicContact CG1-CE2 3.97Å; L71-Y381 HydrophobicContact CB-CD2 4.49Å; L71-Y381 HydrophobicContact CD1-CD2 4.09Å; L71-Y381 HydrophobicContact CD1-CG 4.43Å; H74-Y381 HydrophobicContact CB-CD2 4.1Å; H74-Y381 HydrophobicContact CB-CE2 3.38Å; H74-Y381 AromaticContact CD2-CD2 3.97Å; H74-Y381 AromaticContact CD2-CE1 3.9Å; H74-Y381 AromaticContact CD2-CE2 3.82Å; H74-Y381 AromaticContact CD2-CZ 3.78Å; H74-Y381 AromaticContact CG-CE1 3.97Å; H74-Y381 AromaticContact CG-CE2 3.55Å; H74-Y381 AromaticContact CG-CZ 3.44Å; H74-Y381 VanDerWaalsContact CG-CZ 3.44Å; H74-Y381 AromaticContact ND1-CZ 3.75Å; Y330-Y381 VanDerWaalsContact OH-CD1 3.27Å; Y330-Y381 WeakPolarHBondContact OH-CD1 3.31Å; L372-Y381 HydrophobicContact CD1-CD2 4.09Å; A377-Y381 WeakPolarHBondContact O-CB 3.15Å; A377-Y381 PolarHBondContact O-N 3.06Å; G378-Y381 PolarHBondContact O-N 3.13Å; T379-Y381 VanDerWaalsContact C-N 3.32Å; T379-Y381 PolarHBondContact O-N 2.78Å; Y381-L383 PolarHBondContact O-N 2.91Å; Y381-A384 PolarHBondContact O-N 3.43Å; Y381-D385 HydrophobicContact CD1-CB 4.37Å; Y381-D385 HydrophobicContact CE1-CB 4.37Å; Y381-D385 WeakPolarHBondContact O-CB 3.29Å; Y381-D385 PolarHBondContact O-N 3.41Å; Y381-P395 HydrophobicContact CD1-CB 4.11Å; Y381-P395 HydrophobicContact CD1-CG 3.75Å; Y381-P395 HydrophobicContact CD2-CB 4.26Å; Y381-P395 HydrophobicContact CD2-CG 4.32Å; Y381-P395 HydrophobicContact CE1-CB 3.66Å; Y381-P395 HydrophobicContact CE1-CG 3.78Å; Y381-P395 HydrophobicContact CE2-CB 3.84Å; Y381-P395 HydrophobicContact CE2-CG 4.36Å; Y381-P395 HydrophobicContact CG-CB 4.4Å; Y381-P395 HydrophobicContact CG-CG 4.04Å
382F98.9Very high98.8Very high0 Ų019.5 Ų19.50%010%0.099CC..Hα-helixtrans-57.3-46.7177.2165.9-113.5000113.5A326 A329 Y330 L333 A352 G378 T379 I380 A384 D385 L386A326-F382 HydrophobicContact CB-CB 3.8Å; A326-F382 HydrophobicContact CB-CD1 3.77Å; 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 3.5Å; A329-F382 HydrophobicContact CB-CZ 3.34Å; Y330-F382 HydrophobicContact CD2-CD2 4.08Å; Y330-F382 HydrophobicContact CE2-CB 3.76Å; Y330-F382 AromaticContact CE2-CD2 3.79Å; Y330-F382 HydrophobicContact CE2-CD2 3.79Å; Y330-F382 HydrophobicContact CE2-CG 4.2Å; Y330-F382 WeakPolarHBondContact OH-CA 3.33Å; L333-F382 HydrophobicContact CD1-CD2 4.36Å; L333-F382 HydrophobicContact CD1-CE2 3.9Å; A352-F382 HydrophobicContact CB-CE1 3.87Å; A352-F382 HydrophobicContact CB-CZ 4.12Å; G378-F382 PolarHBondContact O-N 3.01Å; G378-F382 VanDerWaalsContact O-N 3.13Å; T379-F382 PolarHBondContact O-N 3.22Å; I380-F382 VanDerWaalsContact C-N 3.34Å; I380-F382 PolarHBondContact O-N 2.74Å; F382-A384 VanDerWaalsContact C-N 3.29Å; F382-A384 PolarHBondContact O-N 3.15Å; F382-D385 PolarHBondContact O-N 3.32Å; F382-L386 HydrophobicContact CZ-CD2 4.24Å; F382-L386 WeakPolarHBondContact O-CB 3.43Å; F382-L386 PolarHBondContact O-N 2.98Å
383L98.9Very high98.8Very high0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-63-38.4-179.5-64.9176.5000111.7L36 K39 I40 L43 A352 C355 T379 I380 Y381L36-L383 HydrophobicContact CD2-CD2 3.89Å; K39-L383 HydrophobicContact CG-CD1 4.3Å; I40-L383 HydrophobicContact CD1-CB 3.98Å; I40-L383 HydrophobicContact CG1-CB 3.71Å; I40-L383 HydrophobicContact CG1-CD1 4.47Å; L43-L383 HydrophobicContact CD1-CD1 4.22Å; A352-L383 HydrophobicContact CB-CD2 3.94Å; C355-L383 HydrophobicContact CB-CD2 4.07Å; T379-L383 HydrophobicContact CG2-CD1 4.46Å; T379-L383 WeakPolarHBondContact O-CG 3.48Å; T379-L383 PolarHBondContact O-N 3.42Å; T379-L383 VanDerWaalsContact O-N 3.08Å; I380-L383 PolarHBondContact O-N 3.33Å; Y381-L383 PolarHBondContact O-N 2.91Å
384A98.9Very high98.8Very high0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-68.7-43.2176.700000111.6I40 L75 F79 I380 Y381 F382 L386 L387I40-A384 HydrophobicContact CD1-CB 4Å; L75-A384 HydrophobicContact CD2-CB 3.72Å; F79-A384 HydrophobicContact CE2-CB 4.33Å; I380-A384 PolarHBondContact O-N 3.06Å; Y381-A384 PolarHBondContact O-N 3.43Å; F382-A384 VanDerWaalsContact C-N 3.29Å; F382-A384 PolarHBondContact O-N 3.15Å; A384-L386 VanDerWaalsContact C-N 3.31Å; A384-L386 PolarHBondContact O-N 2.96Å; A384-L387 VanDerWaalsContact O-CB 3.26Å; A384-L387 WeakPolarHBondContact O-CB 3.42Å; A384-L387 PolarHBondContact O-N 3.09Å; A384-L387 VanDerWaalsContact O-N 3.13Å
385D98.8Very high98.8Very high11 Ų1121.7 Ų21.76%0.05911%0.107CC..Hα-helixtrans-68.6-32.2-178.1-152.929.1000112H74 Y330 Y381 F382 L387 V388 A392 R393H74-D385 IonicContact CE1-OD1 3.68Å; H74-D385 PolarHBondContact CE1-OD1 2.86Å; H74-D385 PolarHBondContact NE2-N 3.46Å; H74-D385 IonicContact NE2-OD1 3.08Å; Y330-D385 WeakPolarHBondContact CE1-OD2 3.48Å; Y330-D385 WeakPolarHBondContact OH-CB 3.43Å; Y330-D385 PolarHBondContact OH-OD2 3.21Å; Y381-D385 HydrophobicContact CD1-CB 4.37Å; Y381-D385 HydrophobicContact CE1-CB 4.37Å; Y381-D385 WeakPolarHBondContact O-CB 3.29Å; Y381-D385 PolarHBondContact O-N 3.41Å; F382-D385 PolarHBondContact O-N 3.32Å; D385-L387 PolarHBondContact O-N 3.19Å; D385-V388 CarbonylContact O-C 3.33Å; D385-V388 PolarHBondContact O-N 3.02Å; D385-A392 HydrophobicContact CB-CB 4.34Å; D385-A392 VanDerWaalsContact CG-CA 3.43Å; D385-A392 WeakPolarHBondContact OD1-CA 3.23Å; D385-A392 WeakPolarHBondContact OD2-CA 3.4Å; D385-A392 VanDerWaalsContact OD2-CB 3.29Å; D385-A392 WeakPolarHBondContact OD2-CB 3.42Å; D385-R393 PolarHBondContact OD2-N 3.08Å
386L98.9Very high98.8Very high0 Ų021.7 Ų21.70%011%0.107CC..THydrogen-bonded Turntrans-61.7-22.6173.4-176.761.8000112.9L28 F32 L36 L333 L345 A348 A352 F382 A384 V388 P389L28-L386 HydrophobicContact CD1-CG 4.32Å; L28-L386 VanDerWaalsContact CD1-O 3.28Å; L28-L386 WeakPolarHBondContact CD1-O 2.84Å; F32-L386 HydrophobicContact CE1-CD2 4.24Å; L36-L386 HydrophobicContact CD1-CD2 4.04Å; L36-L386 HydrophobicContact CD1-CG 4.24Å; L36-L386 HydrophobicContact CD2-CD2 4.39Å; L333-L386 HydrophobicContact CD1-CD1 4.42Å; L333-L386 HydrophobicContact CD2-CD1 3.92Å; L345-L386 HydrophobicContact CD1-CD1 4.38Å; A348-L386 HydrophobicContact CB-CD1 4.3Å; A352-L386 HydrophobicContact CB-CD2 3.36Å; F382-L386 HydrophobicContact CZ-CD2 4.24Å; F382-L386 WeakPolarHBondContact O-CB 3.43Å; F382-L386 PolarHBondContact O-N 2.98Å; A384-L386 VanDerWaalsContact C-N 3.31Å; A384-L386 PolarHBondContact O-N 2.96Å; L386-V388 PolarHBondContact O-N 3Å; L386-V388 VanDerWaalsContact O-N 3.17Å; L386-P389 HydrophobicContact CD1-CG 4.39Å; L386-P389 WeakPolarHBondContact O-CD 3.45Å; L386-P389 VanDerWaalsContact O-CG 3.28Å; L386-P389 WeakPolarHBondContact O-CG 3.24Å
387L98.9Very high98.8Very high30 Ų3021.4 Ų21.416%0.15711%0.105CC..THydrogen-bonded Turntrans-59.9-27.2177.4-69.6170.3000112.7L36 I40 V78 F79 A384 D385L36-L387 HydrophobicContact CB-CD2 4.14Å; L36-L387 HydrophobicContact CD1-CD2 4.04Å; I40-L387 HydrophobicContact CD1-CD1 4.26Å; V78-L387 HydrophobicContact CG1-CD1 3.92Å; F79-L387 HydrophobicContact CE1-CD1 3.78Å; F79-L387 HydrophobicContact CE2-CD1 4.44Å; F79-L387 HydrophobicContact CZ-CD1 3.51Å; A384-L387 VanDerWaalsContact O-CB 3.26Å; A384-L387 WeakPolarHBondContact O-CB 3.42Å; A384-L387 PolarHBondContact O-N 3.09Å; A384-L387 VanDerWaalsContact O-N 3.13Å; D385-L387 PolarHBondContact O-N 3.19Å
388V98.6Very high98.8Very high62 Ų6222 Ų2238%0.37611%0.108SC..SBendtrans-129.276.6174.5-168.70000109.2D385 L386 T390 K391 A392D385-V388 CarbonylContact O-C 3.33Å; D385-V388 PolarHBondContact O-N 3.02Å; L386-V388 PolarHBondContact O-N 3Å; L386-V388 VanDerWaalsContact O-N 3.17Å; V388-T390 PolarHBondContact O-N 3.36Å; V388-K391 HydrophobicContact CB-CB 4.42Å; V388-K391 HydrophobicContact CG1-CB 4.07Å; V388-K391 HydrophobicContact CG1-CD 3.95Å; V388-K391 HydrophobicContact CG1-CG 3.87Å; V388-K391 PolarHBondContact O-N 3.34Å; V388-A392 PolarHBondContact O-N 3.08Å
389P98.6Very high98.4Very high6 Ų624.3 Ų24.34%0.03912%0.12CC..G310 helixtrans-55.5-35-166.8-24.931.4000114.7L28 L333 Y336 N337 L345 L386 K391 A392L28-P389 HydrophobicContact CD2-CG 4.21Å; L28-P389 HydrophobicContact CG-CG 4.3Å; L333-P389 HydrophobicContact CD2-CB 4.2Å; Y336-P389 HydrophobicContact CE1-CB 4.16Å; N337-P389 PolarHBondContact ND2-O 3.27Å; N337-P389 VanDerWaalsContact ND2-O 3.11Å; N337-P389 PolarHBondContact OD1-O 3.32Å; L345-P389 HydrophobicContact CD1-CB 3.52Å; L345-P389 HydrophobicContact CD1-CG 3.61Å; L386-P389 HydrophobicContact CD1-CG 4.39Å; L386-P389 WeakPolarHBondContact O-CD 3.45Å; L386-P389 VanDerWaalsContact O-CG 3.28Å; L386-P389 WeakPolarHBondContact O-CG 3.24Å; P389-K391 PolarHBondContact O-N 2.79Å; P389-A392 WeakPolarHBondContact O-CB 3.38Å; P389-A392 PolarHBondContact O-N 3.24Å; P389-A392 VanDerWaalsContact O-N 3.14Å
390T98.4Very high98.4Very high79 Ų7925.6 Ų25.649%0.48513%0.126SC..G310 helixtrans-66.8-22.5-179.760.10000113.4Y336 N337 V388Y336-T390 HydrophobicContact CE1-CG2 4.46Å; N337-T390 WeakPolarHBondContact OD1-CA 3.42Å; V388-T390 PolarHBondContact O-N 3.36Å
391K98.6Very high98.3Very high156 Ų15626.9 Ų26.968%0.67813%0.133SC*.G310 helixtrans-97.4-9.5176.6-67.7-171.1-179.4179.70112.9V388 P389V388-K391 HydrophobicContact CB-CB 4.42Å; V388-K391 HydrophobicContact CG1-CB 4.07Å; V388-K391 HydrophobicContact CG1-CD 3.95Å; V388-K391 HydrophobicContact CG1-CG 3.87Å; V388-K391 PolarHBondContact O-N 3.34Å; P389-K391 PolarHBondContact O-N 2.79Å
392A98.8Very high98.3Very high1 Ų126.9 Ų26.91%0.00813%0.134CC..  trans-62.5137.4-173.700000112.6Y330 L333 D385 V388 P389Y330-A392 HydrophobicContact CE1-CB 4.49Å; L333-A392 HydrophobicContact CD1-CB 3.79Å; D385-A392 HydrophobicContact CB-CB 4.34Å; D385-A392 VanDerWaalsContact CG-CA 3.43Å; D385-A392 WeakPolarHBondContact OD1-CA 3.23Å; D385-A392 WeakPolarHBondContact OD2-CA 3.4Å; D385-A392 VanDerWaalsContact OD2-CB 3.29Å; D385-A392 WeakPolarHBondContact OD2-CB 3.42Å; V388-A392 PolarHBondContact O-N 3.08Å; P389-A392 WeakPolarHBondContact O-CB 3.38Å; P389-A392 PolarHBondContact O-N 3.24Å; P389-A392 VanDerWaalsContact O-N 3.14Å
393R98.8Very high98.3Very high74 Ų7428.5 Ų28.528%0.27914%0.142SC..  trans-144.1129.9-178-68.9-64.9-177.8-84.5-2109.9Y330 D385 P395 E398 L399Y330-R393 WeakPolarHBondContact CE1-O 3.37Å; D385-R393 PolarHBondContact OD2-N 3.08Å; R393-P395 WeakPolarHBondContact O-CD 3.33Å; R393-P395 VanDerWaalsContact O-N 3.1Å; R393-E398 WeakPolarHBondContact CA-OE2 3.49Å; R393-E398 HydrophobicContact CB-CB 4.36Å; R393-E398 VanDerWaalsContact CD-CD 3.45Å; R393-L399 PolarHBondContact NE-O 2.79Å
394F98.9Very high98.2Very high0 Ų030.3 Ų30.30%015%0.151CC..  trans-59.3118.4173.1-172-72.2000109.6W275 Y284 L321 Y330 F373 F397 E398W275-F394 HydrophobicContact CB-CE2 4.03Å; W275-F394 HydrophobicContact CB-CZ 3.98Å; W275-F394 AromaticContact CD1-CE2 3.89Å; W275-F394 AromaticContact CD1-CZ 3.74Å; W275-F394 AromaticContact CD2-CE1 3.95Å; W275-F394 HydrophobicContact CD2-CE1 3.95Å; W275-F394 HydrophobicContact CD2-CE2 4.47Å; W275-F394 AromaticContact CD2-CZ 3.66Å; W275-F394 HydrophobicContact CD2-CZ 3.66Å; W275-F394 AromaticContact CE2-CE1 3.78Å; W275-F394 AromaticContact CE2-CZ 3.98Å; W275-F394 HydrophobicContact CE3-CZ 4.25Å; W275-F394 HydrophobicContact CG-CE1 4.13Å; W275-F394 AromaticContact CG-CE2 3.86Å; W275-F394 HydrophobicContact CG-CE2 3.86Å; W275-F394 AromaticContact CG-CZ 3.51Å; W275-F394 HydrophobicContact CG-CZ 3.51Å; W275-F394 HydrophobicContact CZ2-CE1 4.25Å; W275-F394 AromaticContact NE1-CE1 3.85Å; W275-F394 AromaticContact NE1-CZ 3.99Å; Y284-F394 HydrophobicContact CE1-CB 4.13Å; Y284-F394 VanDerWaalsContact OH-CB 3.24Å; Y284-F394 WeakPolarHBondContact OH-CB 3.18Å; Y284-F394 VanDerWaalsContact OH-CD2 3.28Å; Y284-F394 WeakPolarHBondContact OH-CD2 3.37Å; L321-F394 HydrophobicContact CB-CE2 4.33Å; L321-F394 HydrophobicContact CB-CZ 3.94Å; Y330-F394 HydrophobicContact CD1-CB 3.99Å; Y330-F394 HydrophobicContact CD2-CB 4.4Å; Y330-F394 AromaticContact CD2-CD2 3.63Å; Y330-F394 HydrophobicContact CD2-CD2 3.63Å; Y330-F394 HydrophobicContact CD2-CE2 4.33Å; Y330-F394 HydrophobicContact CD2-CG 4.32Å; Y330-F394 HydrophobicContact CE1-CB 4.5Å; Y330-F394 HydrophobicContact CE2-CD2 4.41Å; Y330-F394 HydrophobicContact CG-CB 3.94Å; Y330-F394 AromaticContact CG-CD2 3.74Å; Y330-F394 HydrophobicContact CG-CD2 3.74Å; Y330-F394 HydrophobicContact CG-CG 4.26Å; F373-F394 AromaticContact CE1-CE1 3.83Å; F373-F394 HydrophobicContact CE1-CE1 3.83Å; F373-F394 HydrophobicContact CE1-CZ 4.27Å; F373-F394 HydrophobicContact CZ-CE1 4Å; F394-F397 HydrophobicContact CD1-CB 3.83Å; F394-F397 HydrophobicContact CE1-CB 4.3Å; F394-E398 HydrophobicContact CB-CB 4.09Å; F394-E398 PolarHBondContact N-OE2 2.87Å; F394-E398 WeakPolarHBondContact O-CB 3.43Å; F394-E398 PolarHBondContact O-N 2.95Å
395P98.8Very high98.2Very high3 Ų332.3 Ų32.32%0.01916%0.161CC..THydrogen-bonded Turntrans-67.9148.9-168.926.7-35.2000111.9L321 F373 Y381 R393 F397L321-P395 HydrophobicContact CD1-CG 3.44Å; L321-P395 VanDerWaalsContact CD1-CG 3.44Å; F373-P395 WeakPolarHBondContact CZ-O 3.25Å; Y381-P395 HydrophobicContact CD1-CB 4.11Å; Y381-P395 HydrophobicContact CD1-CG 3.75Å; Y381-P395 HydrophobicContact CD2-CB 4.26Å; Y381-P395 HydrophobicContact CD2-CG 4.32Å; Y381-P395 HydrophobicContact CE1-CB 3.66Å; Y381-P395 HydrophobicContact CE1-CG 3.78Å; Y381-P395 HydrophobicContact CE2-CB 3.84Å; Y381-P395 HydrophobicContact CE2-CG 4.36Å; Y381-P395 HydrophobicContact CG-CB 4.4Å; Y381-P395 HydrophobicContact CG-CG 4.04Å; R393-P395 WeakPolarHBondContact O-CD 3.33Å; R393-P395 VanDerWaalsContact O-N 3.1Å; P395-F397 PolarHBondContact O-N 2.99Å; P395-F397 VanDerWaalsContact O-N 3.16Å
396A98.8Very high98.1Very high0 Ų033.8 Ų33.80%017%0.168CC..THydrogen-bonded Turntrans61.318.9177.700000115.1F106 L107 M151 Y160 F373F106-A396 HydrophobicContact CD1-CB 3.76Å; F106-A396 HydrophobicContact CE1-CB 3.8Å; L107-A396 HydrophobicContact CD2-CB 3.57Å; L107-A396 HydrophobicContact CG-CB 4.16Å; M151-A396 WeakPolarHBondContact CE-O 3.48Å; Y160-A396 HydrophobicContact CE1-CB 4.17Å; Y160-A396 WeakPolarHBondContact OH-CA 3.21Å; Y160-A396 PolarHBondContact OH-N 2.88Å; F373-A396 HydrophobicContact CE2-CB 3.86Å; F373-A396 HydrophobicContact CZ-CB 3.84Å
397F98.9Very high98.1Very high0 Ų036.4 Ų36.40%018%0.181CC..THydrogen-bonded Turntrans-150.5-54.1177.6178.2-104.7000113.8M151 A217 Y226 Y227 W275 Y284 F394 P395M151-F397 HydrophobicContact CE-CD2 3.83Å; M151-F397 HydrophobicContact CG-CD2 3.77Å; M151-F397 HydrophobicContact CG-CE2 3.84Å; M151-F397 HydrophobicContact SD-CD2 3.68Å; M151-F397 HydrophobicContact SD-CE2 3.97Å; A217-F397 HydrophobicContact CB-CE2 4.11Å; A217-F397 HydrophobicContact CB-CZ 3.89Å; Y226-F397 HydrophobicContact CD1-CE1 4.08Å; Y226-F397 HydrophobicContact CD1-CE2 4.13Å; Y226-F397 AromaticContact CD1-CZ 3.66Å; Y226-F397 HydrophobicContact CD1-CZ 3.66Å; Y226-F397 HydrophobicContact CE1-CE1 4.16Å; Y226-F397 HydrophobicContact CE1-CZ 4.16Å; Y226-F397 HydrophobicContact CG-CZ 4.21Å; Y227-F397 HydrophobicContact CE2-CD2 4.06Å; Y227-F397 AromaticContact CE2-CE2 3.96Å; Y227-F397 HydrophobicContact CE2-CE2 3.96Å; Y227-F397 PolarHBondContact OH-O 3.25Å; W275-F397 HydrophobicContact CZ2-CB 3.92Å; W275-F397 AromaticContact CZ2-CD2 3.7Å; W275-F397 HydrophobicContact CZ2-CD2 3.7Å; W275-F397 HydrophobicContact CZ2-CE2 4.36Å; W275-F397 AromaticContact CZ2-CG 3.78Å; W275-F397 HydrophobicContact CZ2-CG 3.78Å; W275-F397 AromaticContact NE1-CD1 3.47Å; W275-F397 AromaticContact NE1-CE1 3.78Å; W275-F397 AromaticContact NE1-CG 3.63Å; Y284-F397 HydrophobicContact CD1-CD1 4.28Å; Y284-F397 AromaticContact CD1-CE1 3.89Å; Y284-F397 HydrophobicContact CD1-CE1 3.89Å; Y284-F397 HydrophobicContact CD2-CD1 4.35Å; Y284-F397 AromaticContact CD2-CE1 3.65Å; Y284-F397 HydrophobicContact CD2-CE1 3.65Å; Y284-F397 HydrophobicContact CE1-CD1 4.39Å; Y284-F397 HydrophobicContact CE1-CE1 4.39Å; Y284-F397 HydrophobicContact CE2-CD1 4.46Å; Y284-F397 HydrophobicContact CE2-CE1 4.17Å; Y284-F397 HydrophobicContact CG-CD1 4.28Å; Y284-F397 AromaticContact CG-CE1 3.5Å; Y284-F397 HydrophobicContact CG-CE1 3.5Å; Y284-F397 HydrophobicContact CG-CZ 4.45Å; F394-F397 HydrophobicContact CD1-CB 3.83Å; F394-F397 HydrophobicContact CE1-CB 4.3Å; P395-F397 PolarHBondContact O-N 2.99Å; P395-F397 VanDerWaalsContact O-N 3.16Å
398E98.6Very high98Very high13 Ų1336.9 Ų36.96%0.06118%0.183CC..  trans-80.9134.4-177.4-162.6-178.1-17800110.7Y284 T334 R393 F394Y284-E398 HydrophobicContact CD1-CB 4.5Å; Y284-E398 HydrophobicContact CD1-CG 4.14Å; Y284-E398 HydrophobicContact CE1-CB 4.18Å; Y284-E398 HydrophobicContact CE1-CG 4.06Å; T334-E398 WeakPolarHBondContact CG2-OE1 3.43Å; T334-E398 PolarHBondContact OG1-OE1 3.26Å; T334-E398 PolarHBondContact OG1-OE2 3.05Å; R393-E398 WeakPolarHBondContact CA-OE2 3.49Å; R393-E398 HydrophobicContact CB-CB 4.36Å; R393-E398 VanDerWaalsContact CD-CD 3.45Å; F394-E398 HydrophobicContact CB-CB 4.09Å; F394-E398 PolarHBondContact N-OE2 2.87Å; F394-E398 WeakPolarHBondContact O-CB 3.43Å; F394-E398 PolarHBondContact O-N 2.95Å
399L90.5Very high98Very high49 Ų4934.6 Ų34.626%0.25717%0.166SC..  trans-92.40-174-68.7167.7000114.2Y160 L163 K167 Y226 Y227 Q230 R393Y160-L399 HydrophobicContact CD2-CD2 3.99Å; Y160-L399 HydrophobicContact CE2-CD2 4.21Å; L163-L399 HydrophobicContact CB-CD2 3.84Å; L163-L399 HydrophobicContact CD1-CD1 3.55Å; L163-L399 HydrophobicContact CD1-CD2 3.77Å; L163-L399 HydrophobicContact CD1-CG 4.33Å; L163-L399 HydrophobicContact CG-CD2 4.48Å; K167-L399 PolarHBondContact NZ-OXT 3.3Å; Y226-L399 PolarHBondContact OH-N 3.08Å; Y227-L399 HydrophobicContact CD1-CD1 4.49Å; Y227-L399 HydrophobicContact CE1-CD1 4.1Å; Q230-L399 HydrophobicContact CB-CD1 4.42Å; Q230-L399 HydrophobicContact CG-CD1 3.79Å; R393-L399 PolarHBondContact NE-O 2.79Å

Retrieved 399 of 399 residues in 115.3 ms (Link to these results)

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