A0A096MEB4_POEFO Loading...

TNF receptor-associated factor

AlphaFold DB , UniProt , Accession A0A096MEB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 470 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
1M69.5Low84.8Confident167 Ų16787.5 Ų87.582%0.82342%0.422SS*.  0135.50-84.2-174.8116.500107.7T41M1-T41 PolarHBondContact O-OG1 2.91Å
2P82.9Confident85Confident62 Ų6281.8 Ų81.840%0.40340%0.397SS..  trans-64.1-175.817528-34.5000111.8C21 R26P2-C21 HydrophobicContact CB-CB 4.04Å; P2-R26 PolarHBondContact O-NE 3.32Å
3G87.1Confident85.3Confident4 Ų485.6 Ų85.64%0.04141%0.41CS..SBendtrans-51.1165.2-174.200000115.8D5 C21 A24G3-D5 PolarHBondContact O-N 2.92Å; G3-C21 PolarHBondContact N-SG 3.03Å; G3-C21 VanDerWaalsContact N-SG 3.41Å; G3-A24 CarbonylContact C-O 3.38Å; G3-A24 WeakPolarHBondContact CA-O 3.3Å
4F89.3Confident85.4Confident16 Ų1693.4 Ų93.47%0.0743%0.434CS..BIsolated β-bridgetrans-63.4131.5-175.3-66.4-72.9000113Y6 F8 A24 M25 R26 I76 L77 M96F4-Y6 HydrophobicContact CB-CD2 3.89Å; F4-Y6 HydrophobicContact CB-CE2 4.13Å; F4-Y6 AromaticContact CD1-CD2 4Å; F4-Y6 HydrophobicContact CD1-CD2 4Å; F4-Y6 AromaticContact CD1-CE2 3.34Å; F4-Y6 HydrophobicContact CD1-CE2 3.34Å; F4-Y6 AromaticContact CD1-CZ 3.99Å; F4-Y6 AromaticContact CE1-CE2 3.99Å; F4-Y6 HydrophobicContact CE1-CE2 3.99Å; F4-Y6 HydrophobicContact CG-CD2 4.2Å; F4-Y6 AromaticContact CG-CE2 3.99Å; F4-Y6 HydrophobicContact CG-CE2 3.99Å; F4-F8 HydrophobicContact CB-CZ 4.42Å; F4-A24 HydrophobicContact CB-CB 4.37Å; F4-A24 PolarHBondContact N-O 3.12Å; F4-M25 WeakPolarHBondContact CD2-O 3.49Å; F4-M25 WeakPolarHBondContact CE2-O 3.41Å; F4-R26 HydrophobicContact CD2-CB 4.22Å; F4-R26 HydrophobicContact CE1-CG 4.39Å; F4-R26 HydrophobicContact CE2-CB 4.02Å; F4-R26 HydrophobicContact CE2-CG 4.32Å; F4-R26 HydrophobicContact CZ-CB 4.26Å; F4-R26 HydrophobicContact CZ-CG 4.06Å; F4-I76 HydrophobicContact CD2-CG2 4.03Å; F4-I76 HydrophobicContact CE2-CG2 4.11Å; F4-L77 HydrophobicContact CE2-CD2 4.39Å; F4-L77 HydrophobicContact CZ-CD2 4.03Å; F4-M96 HydrophobicContact CB-CE 4.21Å; F4-M96 HydrophobicContact CB-SD 4.4Å; F4-M96 HydrophobicContact CD1-SD 3.78Å; F4-M96 HydrophobicContact CD2-CE 4.13Å; F4-M96 HydrophobicContact CD2-SD 3.74Å; F4-M96 HydrophobicContact CE1-SD 3.87Å; F4-M96 HydrophobicContact CE2-SD 3.83Å; F4-M96 HydrophobicContact CG-CE 4.11Å; F4-M96 HydrophobicContact CG-SD 3.72Å; F4-M96 HydrophobicContact CZ-SD 3.89Å
5D86.1Confident85.7Confident120 Ų12096.7 Ų96.764%0.64244%0.44SS*.  trans-111.562.3178.1-156.5-0.1000110.7G3 K23G3-D5 PolarHBondContact O-N 2.92Å; D5-K23 HydrophobicContact CB-CD 4.27Å; D5-K23 VanDerWaalsContact CG-NZ 3.34Å; D5-K23 IonicContact OD1-NZ 3.67Å; D5-K23 IonicContact OD2-NZ 2.6Å; D5-K23 PolarHBondContact OD2-NZ 3.33Å
6Y87.7Confident86Confident68 Ų6891.4 Ų91.427%0.26742%0.416SS..  trans-106.7156.8179.7-63.3-44.6000111.5F4 F8 I81 M96 L99F4-Y6 HydrophobicContact CB-CD2 3.89Å; F4-Y6 HydrophobicContact CB-CE2 4.13Å; F4-Y6 AromaticContact CD1-CD2 4Å; F4-Y6 HydrophobicContact CD1-CD2 4Å; F4-Y6 AromaticContact CD1-CE2 3.34Å; F4-Y6 HydrophobicContact CD1-CE2 3.34Å; F4-Y6 AromaticContact CD1-CZ 3.99Å; F4-Y6 AromaticContact CE1-CE2 3.99Å; F4-Y6 HydrophobicContact CE1-CE2 3.99Å; F4-Y6 HydrophobicContact CG-CD2 4.2Å; F4-Y6 AromaticContact CG-CE2 3.99Å; F4-Y6 HydrophobicContact CG-CE2 3.99Å; Y6-F8 WeakPolarHBondContact O-CD2 3.35Å; Y6-F8 WeakPolarHBondContact O-CE2 3.29Å; Y6-F8 PolarHBondContact O-N 3.43Å; Y6-I81 HydrophobicContact CD2-CD1 4.26Å; Y6-I81 HydrophobicContact CG-CD1 4.28Å; Y6-M96 HydrophobicContact CD2-CE 3.6Å; Y6-M96 HydrophobicContact CD2-CG 3.76Å; Y6-M96 HydrophobicContact CD2-SD 3.63Å; Y6-M96 HydrophobicContact CE2-CE 4.1Å; Y6-M96 HydrophobicContact CE2-CG 3.52Å; Y6-M96 HydrophobicContact CE2-SD 3.47Å; Y6-M96 WeakPolarHBondContact CE2-SD 3.42Å; Y6-L99 HydrophobicContact CD1-CD2 4.22Å; Y6-L99 HydrophobicContact CE1-CD2 3.73Å; Y6-L99 HydrophobicContact CE2-CD2 4.36Å
7K86.7Confident86.3Confident78 Ų7888.7 Ų88.734%0.33940%0.404SS..  trans-77.884.8173.6-63.7-174.9-177.6-177.80109.6I81 R82 E87K7-I81 WeakPolarHBondContact O-CA 3.14Å; K7-R82 HydrophobicContact CB-CB 4.42Å; K7-R82 PolarHBondContact O-N 2.82Å; K7-E87 IonicContact NZ-OE1 3.49Å; K7-E87 PolarHBondContact NZ-OE1 3.31Å; K7-E87 IonicContact NZ-OE2 3.97Å; K7-E87 PolarHBondContact NZ-OE2 3.05Å; K7-E87 VanDerWaalsContact NZ-OE2 3.15Å
8F88.1Confident86.6Confident44 Ų4483.8 Ų83.819%0.19338%0.382CS..BIsolated β-bridgetrans-65.2143.5176.5-64.4-88.4000111.5F4 Y6 E10 P12 A24 L79 I81 M96F4-F8 HydrophobicContact CB-CZ 4.42Å; Y6-F8 WeakPolarHBondContact O-CD2 3.35Å; Y6-F8 WeakPolarHBondContact O-CE2 3.29Å; Y6-F8 PolarHBondContact O-N 3.43Å; F8-E10 VanDerWaalsContact C-N 3.3Å; F8-E10 VanDerWaalsContact CB-O 3.23Å; F8-E10 WeakPolarHBondContact CB-O 2.9Å; F8-P12 HydrophobicContact CB-CG 4.35Å; F8-P12 HydrophobicContact CD1-CG 3.86Å; F8-P12 HydrophobicContact CD2-CG 3.79Å; F8-P12 HydrophobicContact CE1-CG 4.06Å; F8-P12 HydrophobicContact CE2-CG 4.01Å; F8-P12 HydrophobicContact CG-CG 3.73Å; F8-P12 HydrophobicContact CZ-CG 4.14Å; F8-A24 HydrophobicContact CE1-CB 4.34Å; F8-A24 HydrophobicContact CE2-CB 4.09Å; F8-A24 HydrophobicContact CZ-CB 3.54Å; F8-L79 HydrophobicContact CD1-CB 4.1Å; F8-L79 HydrophobicContact CD1-CD1 4.34Å; F8-L79 HydrophobicContact CE1-CB 3.95Å; F8-L79 HydrophobicContact CE1-CD1 3.86Å; F8-I81 HydrophobicContact CD1-CG2 3.59Å; F8-I81 HydrophobicContact CE1-CG2 3.81Å; F8-I81 HydrophobicContact CG-CG2 4.18Å; F8-M96 HydrophobicContact CE1-CE 3.44Å; F8-M96 VanDerWaalsContact CE1-CE 3.44Å; F8-M96 HydrophobicContact CZ-CE 3.55Å
9L86.6Confident86.8Confident66 Ų6681.9 Ų81.935%0.34638%0.379SS..SBendtrans-67.5-35.5173.9-79175.2000112P80 R82 T93L9-P80 HydrophobicContact CB-CB 4.31Å; L9-P80 HydrophobicContact CB-CG 4.32Å; L9-P80 HydrophobicContact CD1-CB 3.74Å; L9-P80 HydrophobicContact CG-CB 4.39Å; L9-P80 PolarHBondContact N-O 3.24Å; L9-R82 HydrophobicContact CD2-CG 3.41Å; L9-R82 VanDerWaalsContact CD2-CG 3.41Å; L9-R82 HydrophobicContact CG-CG 4.03Å; L9-T93 HydrophobicContact CD1-CG2 4.27Å; L9-T93 HydrophobicContact CD2-CG2 4.18Å
10E86Confident86.9Confident154 Ų15481.1 Ų81.172%0.7238%0.376SS*.SBendtrans-128.9147.7177.3-64.9179.6-176.500109.1F8 P12F8-E10 VanDerWaalsContact C-N 3.3Å; F8-E10 VanDerWaalsContact CB-O 3.23Å; F8-E10 WeakPolarHBondContact CB-O 2.9Å; E10-P12 VanDerWaalsContact O-CD 3.31Å; E10-P12 WeakPolarHBondContact O-CD 3.34Å
11K83.4Confident87.1Confident184 Ų18478.8 Ų78.880%0.837%0.369SS*.PPolyproline II helixtrans-59.7121.4176.7-173174.3-179.3176.90109.1K13K11-K13 PolarHBondContact O-N 2.99Å
12P86.9Confident88.1Confident19 Ų1975 Ų7512%0.12336%0.359CS..PPolyproline II helixtrans-54.8136.6178.5-26.734.7000110.9F8 E10 F16 Q17 A24 L79F8-P12 HydrophobicContact CB-CG 4.35Å; F8-P12 HydrophobicContact CD1-CG 3.86Å; F8-P12 HydrophobicContact CD2-CG 3.79Å; F8-P12 HydrophobicContact CE1-CG 4.06Å; F8-P12 HydrophobicContact CE2-CG 4.01Å; F8-P12 HydrophobicContact CG-CG 3.73Å; F8-P12 HydrophobicContact CZ-CG 4.14Å; E10-P12 VanDerWaalsContact O-CD 3.31Å; E10-P12 WeakPolarHBondContact O-CD 3.34Å; P12-F16 HydrophobicContact CB-CB 4.48Å; P12-Q17 HydrophobicContact CB-CG 4.29Å; P12-Q17 PolarHBondContact O-NE2 3.02Å; P12-A24 HydrophobicContact CG-CB 4.47Å; P12-L79 HydrophobicContact CB-CD1 4.26Å; P12-L79 HydrophobicContact CG-CD1 4.47Å
13K88.7Confident88.5Confident131 Ų13175.6 Ų75.657%0.5736%0.355SS*.PPolyproline II helixtrans-57.9147.3175.5-63.5-176.9-178.9-178.70109.6K11 R15 F16K11-K13 PolarHBondContact O-N 2.99Å; K13-R15 HydrophobicContact CB-CG 4.1Å; K13-R15 PolarHBondContact O-N 3.31Å; K13-F16 HydrophobicContact CB-CD2 4.09Å; K13-F16 HydrophobicContact CB-CE2 4.47Å; K13-F16 WeakPolarHBondContact O-CB 3.47Å; K13-F16 PolarHBondContact O-N 3.07Å
14R86.9Confident88.7Confident195 Ų19575.5 Ų75.574%0.73636%0.355SS*.G310 helixtrans-49.3-37.3-179.9-173.4178175-170.5-3113.1F16 Q17R14-F16 PolarHBondContact O-N 2.73Å; R14-F16 VanDerWaalsContact O-N 3.12Å; R14-Q17 PolarHBondContact O-N 3.4Å
15R89.1Confident88.9Confident142 Ų14275 Ų7554%0.53635%0.353SS..G310 helixtrans-59.3-21.4177.173.2-178.1-174.8-166.86.7115.4K13K13-R15 HydrophobicContact CB-CG 4.1Å; K13-R15 PolarHBondContact O-N 3.31Å
16F90.8Very high89.1Confident12 Ų1272.1 Ų72.15%0.05333%0.333CS..G310 helixtrans-97.8-3.7178.2-61.8-43.3000112.4P12 K13 R14 A24 M25 L72 Q75 I76 L79P12-F16 HydrophobicContact CB-CB 4.48Å; K13-F16 HydrophobicContact CB-CD2 4.09Å; K13-F16 HydrophobicContact CB-CE2 4.47Å; K13-F16 WeakPolarHBondContact O-CB 3.47Å; K13-F16 PolarHBondContact O-N 3.07Å; R14-F16 PolarHBondContact O-N 2.73Å; R14-F16 VanDerWaalsContact O-N 3.12Å; F16-A24 CarbonylContact O-C 3.55Å; F16-A24 VanDerWaalsContact O-CA 3.29Å; F16-A24 WeakPolarHBondContact O-CA 3.38Å; F16-M25 PolarHBondContact O-N 3.27Å; F16-L72 HydrophobicContact CD1-CD1 3.71Å; F16-L72 HydrophobicContact CE1-CD1 3.82Å; F16-Q75 HydrophobicContact CE1-CB 3.83Å; F16-Q75 HydrophobicContact CZ-CB 4.12Å; F16-I76 HydrophobicContact CB-CD1 4.47Å; F16-I76 HydrophobicContact CB-CG1 4.07Å; F16-I76 HydrophobicContact CD1-CG1 3.84Å; F16-I76 HydrophobicContact CG-CG1 4.18Å; F16-L79 HydrophobicContact CD2-CD1 4.25Å; F16-L79 HydrophobicContact CD2-CD2 4.12Å; F16-L79 HydrophobicContact CE2-CD2 4.04Å
17Q91.3Very high89.3Confident46 Ų4673.7 Ų73.722%0.21534%0.343CS..BIsolated β-bridgetrans-100.6132.1-176.3-66.5175.8-17.900110.3P12 R14 P19 K23 M25P12-Q17 HydrophobicContact CB-CG 4.29Å; P12-Q17 PolarHBondContact O-NE2 3.02Å; R14-Q17 PolarHBondContact O-N 3.4Å; Q17-P19 WeakPolarHBondContact O-CD 3.16Å; Q17-K23 CarbonylContact C-O 3.52Å; Q17-K23 WeakPolarHBondContact CA-O 3.26Å; Q17-M25 VanDerWaalsContact C-CE 3.44Å; Q17-M25 WeakPolarHBondContact O-CE 3.18Å
18C92.2Very high89.6Confident1 Ų170.1 Ų70.11%0.00733%0.327CS..  trans-67.4127.7173.9-176.20000109.6L20 C21 S22 K23 M25 C39C18-L20 PolarHBondContact O-N 2.59Å; C18-C21 WeakPolarHBondContact CB-SG 3.5Å; C18-S22 WeakPolarHBondContact O-CA 3.43Å; C18-S22 PolarHBondContact O-N 3.09Å; C18-K23 PolarHBondContact N-O 3.27Å; C18-M25 HydrophobicContact CB-CG 3.79Å; C18-C39 VanDerWaalsContact CB-SG 3.52Å; C18-C39 PolarHBondContact SG-N 2.55Å; C18-C39 VanDerWaalsContact SG-N 3.38Å
19P89.3Confident89.8Confident48 Ų4868.2 Ų68.231%0.31232%0.319SS..THydrogen-bonded Turntrans-59.4-30.2176-26.836.1000113.8Q17 R37 F38 E56Q17-P19 WeakPolarHBondContact O-CD 3.16Å; P19-R37 VanDerWaalsContact CD-O 3.26Å; P19-R37 WeakPolarHBondContact CD-O 3.32Å; P19-F38 HydrophobicContact CB-CD1 4.32Å; P19-F38 HydrophobicContact CB-CE1 3.91Å; P19-F38 HydrophobicContact CG-CD1 4.01Å; P19-F38 HydrophobicContact CG-CE1 3.69Å; P19-E56 HydrophobicContact CB-CG 3.99Å; P19-E56 WeakPolarHBondContact CB-OE1 3.48Å; P19-E56 HydrophobicContact CG-CG 3.84Å; P19-E56 WeakPolarHBondContact CG-OE1 3.43Å
20L89.9Confident90.1Very high64 Ų6468 Ų6834%0.33532%0.316SS..THydrogen-bonded Turntrans-81.1-45.5-175.8-63.7171.3000113.1C18 F38 C42 F46 P55C18-L20 PolarHBondContact O-N 2.59Å; L20-F38 HydrophobicContact CD1-CD1 3.88Å; L20-F38 HydrophobicContact CD1-CE1 4.49Å; L20-F38 HydrophobicContact CG-CD1 3.94Å; L20-F38 HydrophobicContact CG-CE1 4.31Å; L20-C42 HydrophobicContact CB-CB 3.99Å; L20-C42 HydrophobicContact CD1-CB 3.88Å; L20-C42 VanDerWaalsContact CD1-O 3.3Å; L20-C42 WeakPolarHBondContact CD1-O 3.48Å; L20-F46 HydrophobicContact CD1-CB 3.98Å; L20-F46 HydrophobicContact CD1-CG 4.49Å; L20-F46 HydrophobicContact CD2-CD2 4.07Å; L20-F46 HydrophobicContact CD2-CG 4.36Å; L20-P55 HydrophobicContact CD1-CG 4.36Å; L20-P55 HydrophobicContact CD2-CB 3.94Å; L20-P55 HydrophobicContact CD2-CG 4.03Å; L20-P55 HydrophobicContact CG-CG 4.48Å
21C91.7Very high90.2Very high33 Ų3360.7 Ų60.722%0.22328%0.282CS..THydrogen-bonded Turntrans-102.4-4.8-179.170.90000114.4P2 G3 C18 K23P2-C21 HydrophobicContact CB-CB 4.04Å; G3-C21 PolarHBondContact N-SG 3.03Å; G3-C21 VanDerWaalsContact N-SG 3.41Å; C18-C21 WeakPolarHBondContact CB-SG 3.5Å; C21-K23 PolarHBondContact O-N 3.41Å
22S89.5Confident90.2Very high88 Ų8854.9 Ų54.962%0.61527%0.265SS*.  trans56.78.7-176.9-61.90000115.8C18C18-S22 WeakPolarHBondContact O-CA 3.43Å; C18-S22 PolarHBondContact O-N 3.09Å
23K91.6Very high90Very high74 Ų7456.9 Ų56.932%0.32228%0.277SS..SBendtrans-99.7164.6176.8-66-176.3-174.5-172.90110.8D5 Q17 C18 C21 M25D5-K23 HydrophobicContact CB-CD 4.27Å; D5-K23 VanDerWaalsContact CG-NZ 3.34Å; D5-K23 IonicContact OD1-NZ 3.67Å; D5-K23 IonicContact OD2-NZ 2.6Å; D5-K23 PolarHBondContact OD2-NZ 3.33Å; Q17-K23 CarbonylContact C-O 3.52Å; Q17-K23 WeakPolarHBondContact CA-O 3.26Å; C18-K23 PolarHBondContact N-O 3.27Å; C21-K23 PolarHBondContact O-N 3.41Å; K23-M25 PolarHBondContact O-N 2.83Å
24A91.1Very high90Very high3 Ų352.2 Ų52.23%0.02526%0.26CS..BIsolated β-bridgetrans-57.5130.1174.100000109.9G3 F4 F8 P12 F16 R26 I76G3-A24 CarbonylContact C-O 3.38Å; G3-A24 WeakPolarHBondContact CA-O 3.3Å; F4-A24 HydrophobicContact CB-CB 4.37Å; F4-A24 PolarHBondContact N-O 3.12Å; F8-A24 HydrophobicContact CE1-CB 4.34Å; F8-A24 HydrophobicContact CE2-CB 4.09Å; F8-A24 HydrophobicContact CZ-CB 3.54Å; P12-A24 HydrophobicContact CG-CB 4.47Å; F16-A24 CarbonylContact O-C 3.55Å; F16-A24 VanDerWaalsContact O-CA 3.29Å; F16-A24 WeakPolarHBondContact O-CA 3.38Å; A24-R26 PolarHBondContact O-N 3.15Å; A24-I76 HydrophobicContact CB-CG2 4.29Å
25M92.4Very high89.9Confident6 Ų644.3 Ų44.33%0.0324%0.239CC..PPolyproline II helixtrans-61.7131.2-169.8-59.7175.1-163.100111.1F4 F16 Q17 C18 K23 P28 R37 C39 L72 I76F4-M25 WeakPolarHBondContact CD2-O 3.49Å; F4-M25 WeakPolarHBondContact CE2-O 3.41Å; F16-M25 PolarHBondContact O-N 3.27Å; Q17-M25 VanDerWaalsContact C-CE 3.44Å; Q17-M25 WeakPolarHBondContact O-CE 3.18Å; C18-M25 HydrophobicContact CB-CG 3.79Å; K23-M25 PolarHBondContact O-N 2.83Å; M25-P28 HydrophobicContact CB-CB 3.94Å; M25-P28 HydrophobicContact SD-CB 4.06Å; M25-R37 HydrophobicContact CE-CB 3.7Å; M25-R37 VanDerWaalsContact CE-O 3.22Å; M25-R37 WeakPolarHBondContact CE-O 3.3Å; M25-R37 HydrophobicContact SD-CB 3.72Å; M25-C39 VanDerWaalsContact CA-SG 3.55Å; M25-L72 HydrophobicContact SD-CD2 3.81Å; M25-I76 HydrophobicContact CB-CD1 3.71Å; M25-I76 HydrophobicContact CG-CD1 4.49Å; M25-I76 WeakPolarHBondContact O-CD1 3.4Å
26R91.9Very high90Very high58 Ų5840.4 Ų40.422%0.21923%0.227CC..SBendtrans-100.4130.8170176.6-174.1-63.7-85.91.1107.3P2 F4 A24 C39P2-R26 PolarHBondContact O-NE 3.32Å; F4-R26 HydrophobicContact CD2-CB 4.22Å; F4-R26 HydrophobicContact CE1-CG 4.39Å; F4-R26 HydrophobicContact CE2-CB 4.02Å; F4-R26 HydrophobicContact CE2-CG 4.32Å; F4-R26 HydrophobicContact CZ-CB 4.26Å; F4-R26 HydrophobicContact CZ-CG 4.06Å; A24-R26 PolarHBondContact O-N 3.15Å; R26-C39 PolarHBondContact N-SG 3Å; R26-C39 WeakPolarHBondContact O-CA 3.45Å; R26-C39 VanDerWaalsContact O-CB 3.31Å; R26-C39 WeakPolarHBondContact O-CB 3.39Å
27E91.3Very high90Very high102 Ų10244.2 Ų44.248%0.47724%0.241SC..SBendtrans4862.4-177.9-65162.6147.100109.8V29 D40E27-V29 PolarHBondContact O-N 3.33Å; E27-D40 HydrophobicContact CB-CB 4.17Å; E27-D40 VanDerWaalsContact O-CB 3.31Å; E27-D40 WeakPolarHBondContact O-CB 3.37Å; E27-D40 PolarHBondContact O-N 2.81Å
28P92.8Very high90.1Very high2 Ų242 Ų421%0.01323%0.231CC..EExtended strand (participates in β ladder)trans-63135.9-172.626.5-34.2000111.5M25 F38 D69 L72 E73 I76M25-P28 HydrophobicContact CB-CB 3.94Å; M25-P28 HydrophobicContact SD-CB 4.06Å; P28-F38 CarbonylContact C-O 3.48Å; P28-F38 VanDerWaalsContact CA-O 3.28Å; P28-F38 WeakPolarHBondContact CA-O 3.31Å; P28-D69 HydrophobicContact CG-CB 4.5Å; P28-D69 PolarHBondContact O-N 2.81Å; P28-L72 HydrophobicContact CB-CD2 3.56Å; P28-L72 HydrophobicContact CB-CG 4.4Å; P28-L72 HydrophobicContact CG-CB 4.12Å; P28-L72 HydrophobicContact CG-CD2 3.99Å; P28-L72 HydrophobicContact CG-CG 4.31Å; P28-E73 HydrophobicContact CG-CB 3.8Å; P28-I76 HydrophobicContact CG-CD1 4.36Å
29V92.6Very high90.1Very high5 Ų542 Ų423%0.0323%0.23CC..EExtended strand (participates in β ladder)trans-116.8141173.2-660000109.8E27 R37 F38 D40 L43 I66 Y67E27-V29 PolarHBondContact O-N 3.33Å; V29-R37 VanDerWaalsContact O-CA 3.25Å; V29-R37 WeakPolarHBondContact O-CA 3.49Å; V29-F38 HydrophobicContact CG2-CB 4.44Å; V29-F38 PolarHBondContact N-O 3.22Å; V29-F38 PolarHBondContact O-N 2.99Å; V29-D40 HydrophobicContact CG1-CB 3.77Å; V29-L43 HydrophobicContact CG2-CB 4.28Å; V29-L43 HydrophobicContact CG2-CD2 3.73Å; V29-I66 HydrophobicContact CB-CG2 3.72Å; V29-I66 HydrophobicContact CG1-CG2 4.32Å; V29-I66 HydrophobicContact CG2-CG2 3.96Å; V29-Y67 CarbonylContact C-O 3.52Å; V29-Y67 VanDerWaalsContact CA-O 3.31Å; V29-Y67 WeakPolarHBondContact CA-O 3.26Å
30Q92Very high90.3Very high61 Ų6141.8 Ų41.829%0.28523%0.227SC..EExtended strand (participates in β ladder)trans-109.5133.5177-176.4179.2-40.100110.5R37 Y67 D69Q30-R37 HydrophobicContact CB-CG 4.01Å; Q30-R37 HydrophobicContact CG-CG 4.11Å; Q30-Y67 PolarHBondContact N-O 3.5Å; Q30-Y67 PolarHBondContact O-N 3.18Å; Q30-D69 HydrophobicContact CB-CB 4.43Å
31V89Confident90.3Very high0 Ų040 Ų400%022%0.219CC..EExtended strand (participates in β ladder)trans-85.3116171.7-174.10000108.6T33 C34 G35 H36 F38 L43 L61V31-T33 VanDerWaalsContact C-N 3.32Å; V31-T33 WeakPolarHBondContact CG1-OG1 3.46Å; V31-T33 PolarHBondContact O-N 3.44Å; V31-C34 PolarHBondContact O-N 2.95Å; V31-G35 VanDerWaalsContact O-CA 3.25Å; V31-G35 WeakPolarHBondContact O-CA 3.42Å; V31-G35 PolarHBondContact O-N 3.45Å; V31-H36 PolarHBondContact N-O 3.37Å; V31-F38 HydrophobicContact CG2-CD2 4.28Å; V31-F38 HydrophobicContact CG2-CE2 4.1Å; V31-L43 HydrophobicContact CG2-CD2 4.13Å; V31-L61 HydrophobicContact CB-CD1 4.37Å; V31-L61 HydrophobicContact CG1-CD1 3.78Å; V31-L61 HydrophobicContact CG1-CG 3.83Å; V31-L61 HydrophobicContact CG2-CD1 3.63Å; V31-L61 HydrophobicContact CG2-CG 4.45Å
32S83.8Confident90.3Very high62 Ų6238.8 Ų38.843%0.43421%0.211SC..THydrogen-bonded Turntrans-69.1-24.5-174.258.60000114.6K65S32-K65 WeakPolarHBondContact CB-O 3.43Å; S32-K65 PolarHBondContact N-O 2.83Å; S32-K65 VanDerWaalsContact OG-CB 3.28Å; S32-K65 WeakPolarHBondContact OG-CB 3.47Å; S32-K65 PolarHBondContact OG-O 3.34Å
33T82.9Confident90.3Very high61 Ų6134.8 Ų34.837%0.37418%0.182SC..THydrogen-bonded Turntrans-71-30.9-179.751.10000113.3V31 K65V31-T33 VanDerWaalsContact C-N 3.32Å; V31-T33 WeakPolarHBondContact CG1-OG1 3.46Å; V31-T33 PolarHBondContact O-N 3.44Å; T33-K65 HydrophobicContact CG2-CD 3.72Å
34C87.3Confident90.1Very high34 Ų3436 Ų3623%0.2319%0.189CC..THydrogen-bonded Turntrans-129.1-10.1-176.857.80000115.5V31 H36 D57 L59V31-C34 PolarHBondContact O-N 2.95Å; C34-H36 PolarHBondContact O-N 2.83Å; C34-H36 PolarHBondContact SG-ND1 2.76Å; C34-D57 WeakPolarHBondContact CB-OD2 2.96Å; C34-L59 HydrophobicContact CB-CD1 4.07Å
35G85.8Confident89.9Confident28 Ų2841.5 Ų41.529%0.28921%0.214SC..  trans76.42.3179.900000115.2V31V31-G35 VanDerWaalsContact O-CA 3.25Å; V31-G35 WeakPolarHBondContact O-CA 3.42Å; V31-G35 PolarHBondContact O-N 3.45Å
36H90.3Very high89.6Confident61 Ų6143.6 Ų43.628%0.28222%0.223SC..  trans-70.4148.2176.4-69.5115.7000112V31 C34 F38 D57V31-H36 PolarHBondContact N-O 3.37Å; C34-H36 PolarHBondContact O-N 2.83Å; C34-H36 PolarHBondContact SG-ND1 2.76Å; H36-F38 HydrophobicContact CB-CE2 3.74Å; H36-F38 HydrophobicContact CB-CZ 3.96Å; H36-D57 IonicContact CE1-OD2 2.67Å; H36-D57 PolarHBondContact CE1-OD2 3.23Å; H36-D57 IonicContact ND1-OD2 3.96Å; H36-D57 PolarHBondContact ND1-OD2 2.85Å
37R92.1Very high89.2Confident91 Ų9141 Ų4134%0.34321%0.213SC..EExtended strand (participates in β ladder)trans-126141.7-172.1-70.4160.4168.3107-1.6111.5P19 M25 V29 Q30 D69 L72P19-R37 VanDerWaalsContact CD-O 3.26Å; P19-R37 WeakPolarHBondContact CD-O 3.32Å; M25-R37 HydrophobicContact CE-CB 3.7Å; M25-R37 VanDerWaalsContact CE-O 3.22Å; M25-R37 WeakPolarHBondContact CE-O 3.3Å; M25-R37 HydrophobicContact SD-CB 3.72Å; V29-R37 VanDerWaalsContact O-CA 3.25Å; V29-R37 WeakPolarHBondContact O-CA 3.49Å; Q30-R37 HydrophobicContact CB-CG 4.01Å; Q30-R37 HydrophobicContact CG-CG 4.11Å; R37-D69 IonicContact CZ-OD2 3.07Å; R37-D69 IonicContact NE-OD2 2.96Å; R37-D69 PolarHBondContact NE-OD2 2.86Å; R37-D69 IonicContact NH2-OD2 2.82Å; R37-D69 PolarHBondContact NH2-OD2 2.84Å; R37-L72 HydrophobicContact CB-CD2 4.35Å; R37-L72 HydrophobicContact CG-CD2 4.3Å
38F92.4Very high88.8Confident0 Ų040.5 Ų40.50%022%0.222CC..EExtended strand (participates in β ladder)trans-142.7164.9-177-55.9-85.8000109.7P19 L20 P28 V29 V31 H36 L43 P55 E56P19-F38 HydrophobicContact CB-CD1 4.32Å; P19-F38 HydrophobicContact CB-CE1 3.91Å; P19-F38 HydrophobicContact CG-CD1 4.01Å; P19-F38 HydrophobicContact CG-CE1 3.69Å; L20-F38 HydrophobicContact CD1-CD1 3.88Å; L20-F38 HydrophobicContact CD1-CE1 4.49Å; L20-F38 HydrophobicContact CG-CD1 3.94Å; L20-F38 HydrophobicContact CG-CE1 4.31Å; P28-F38 CarbonylContact C-O 3.48Å; P28-F38 VanDerWaalsContact CA-O 3.28Å; P28-F38 WeakPolarHBondContact CA-O 3.31Å; V29-F38 HydrophobicContact CG2-CB 4.44Å; V29-F38 PolarHBondContact N-O 3.22Å; V29-F38 PolarHBondContact O-N 2.99Å; V31-F38 HydrophobicContact CG2-CD2 4.28Å; V31-F38 HydrophobicContact CG2-CE2 4.1Å; H36-F38 HydrophobicContact CB-CE2 3.74Å; H36-F38 HydrophobicContact CB-CZ 3.96Å; F38-L43 HydrophobicContact CB-CB 3.81Å; F38-L43 HydrophobicContact CB-CD2 4.42Å; F38-L43 HydrophobicContact CD2-CD1 3.98Å; F38-L43 HydrophobicContact CD2-CD2 3.96Å; F38-L43 HydrophobicContact CD2-CG 4.4Å; F38-L43 HydrophobicContact CE2-CD1 4.37Å; F38-L43 HydrophobicContact CG-CB 4.3Å; F38-L43 HydrophobicContact CG-CD1 4.21Å; F38-L43 HydrophobicContact CG-CD2 4.47Å; F38-P55 HydrophobicContact CD1-CG 4.49Å; F38-P55 HydrophobicContact CE1-CB 3.93Å; F38-P55 HydrophobicContact CE1-CG 3.77Å; F38-P55 HydrophobicContact CZ-CB 4.15Å; F38-P55 HydrophobicContact CZ-CG 3.87Å; F38-E56 HydrophobicContact CE1-CG 4.2Å; F38-E56 HydrophobicContact CZ-CG 4.04Å
39C93.8Very high88.3Confident0 Ų047.5 Ų47.50%025%0.254CS..EExtended strand (participates in β ladder)trans-64.9141.1160.3-53.30000108.7C18 M25 R26 T41 C42 L43C18-C39 VanDerWaalsContact CB-SG 3.52Å; C18-C39 PolarHBondContact SG-N 2.55Å; C18-C39 VanDerWaalsContact SG-N 3.38Å; M25-C39 VanDerWaalsContact CA-SG 3.55Å; R26-C39 PolarHBondContact N-SG 3Å; R26-C39 WeakPolarHBondContact O-CA 3.45Å; R26-C39 VanDerWaalsContact O-CB 3.31Å; R26-C39 WeakPolarHBondContact O-CB 3.39Å; C39-T41 PolarHBondContact O-N 3.48Å; C39-C42 HydrophobicContact CB-CB 3.92Å; C39-C42 PolarHBondContact O-N 3.45Å; C39-C42 VanDerWaalsContact O-N 3.17Å; C39-L43 PolarHBondContact O-N 3.42Å
40D91.6Very high87.4Confident45 Ų4549.6 Ų49.624%0.24128%0.276CS..Hα-helixtrans-49.8-57.1175.5-178.947.9000111.6E27 V29 C42 L43 Q44E27-D40 HydrophobicContact CB-CB 4.17Å; E27-D40 VanDerWaalsContact O-CB 3.31Å; E27-D40 WeakPolarHBondContact O-CB 3.37Å; E27-D40 PolarHBondContact O-N 2.81Å; V29-D40 HydrophobicContact CG1-CB 3.77Å; D40-C42 VanDerWaalsContact C-N 3.33Å; D40-C42 PolarHBondContact O-N 2.82Å; D40-L43 PolarHBondContact O-N 3.1Å; D40-Q44 WeakPolarHBondContact O-CB 3.42Å; D40-Q44 VanDerWaalsContact O-CG 3.31Å; D40-Q44 WeakPolarHBondContact O-CG 3.39Å; D40-Q44 PolarHBondContact O-N 3.39Å; D40-Q44 PolarHBondContact OD1-NE2 3.35Å; D40-Q44 PolarHBondContact OD2-NE2 3.21Å
41T91.3Very high86.4Confident26 Ų2649.3 Ų49.316%0.1628%0.279CS..Hα-helixtrans-59.3-38.5179.853.80000113.9M1 C39 E45M1-T41 PolarHBondContact O-OG1 2.91Å; C39-T41 PolarHBondContact O-N 3.48Å; T41-E45 WeakPolarHBondContact O-CB 3.31Å; T41-E45 VanDerWaalsContact O-CG 3.29Å; T41-E45 WeakPolarHBondContact O-CG 3.27Å; T41-E45 PolarHBondContact O-N 2.98Å
42C91.1Very high86Confident8 Ų854.9 Ų54.95%0.05430%0.303CS..Hα-helixtrans-69.2-41.1179.5-650000111.8L20 C39 D40 F46L20-C42 HydrophobicContact CB-CB 3.99Å; L20-C42 HydrophobicContact CD1-CB 3.88Å; L20-C42 VanDerWaalsContact CD1-O 3.3Å; L20-C42 WeakPolarHBondContact CD1-O 3.48Å; C39-C42 HydrophobicContact CB-CB 3.92Å; C39-C42 PolarHBondContact O-N 3.45Å; C39-C42 VanDerWaalsContact O-N 3.17Å; D40-C42 VanDerWaalsContact C-N 3.33Å; D40-C42 PolarHBondContact O-N 2.82Å; C42-F46 WeakPolarHBondContact O-CB 3.47Å; C42-F46 PolarHBondContact O-N 2.97Å; C42-F46 VanDerWaalsContact O-N 3.07Å
43L88.6Confident86Confident3 Ų357 Ų572%0.01631%0.305CS..Hα-helixtrans-69.6-42.1178.4-176.760.9000111V29 V31 F38 C39 D40 E45 F46 L47 P55 L61 I66V29-L43 HydrophobicContact CG2-CB 4.28Å; V29-L43 HydrophobicContact CG2-CD2 3.73Å; V31-L43 HydrophobicContact CG2-CD2 4.13Å; F38-L43 HydrophobicContact CB-CB 3.81Å; F38-L43 HydrophobicContact CB-CD2 4.42Å; F38-L43 HydrophobicContact CD2-CD1 3.98Å; F38-L43 HydrophobicContact CD2-CD2 3.96Å; F38-L43 HydrophobicContact CD2-CG 4.4Å; F38-L43 HydrophobicContact CE2-CD1 4.37Å; F38-L43 HydrophobicContact CG-CB 4.3Å; F38-L43 HydrophobicContact CG-CD1 4.21Å; F38-L43 HydrophobicContact CG-CD2 4.47Å; C39-L43 PolarHBondContact O-N 3.42Å; D40-L43 PolarHBondContact O-N 3.1Å; L43-E45 PolarHBondContact O-N 3.29Å; L43-F46 PolarHBondContact O-N 2.91Å; L43-L47 HydrophobicContact CD1-CD1 4.08Å; L43-L47 HydrophobicContact CD1-CD2 4.45Å; L43-L47 HydrophobicContact CD1-CG 4.03Å; L43-L47 HydrophobicContact CD2-CD1 4.5Å; L43-L47 HydrophobicContact CG-CD1 3.85Å; L43-L47 HydrophobicContact CG-CG 4.24Å; L43-L47 WeakPolarHBondContact O-CB 3.49Å; L43-L47 VanDerWaalsContact O-CG 3.24Å; L43-L47 WeakPolarHBondContact O-CG 3.35Å; L43-L47 PolarHBondContact O-N 3.35Å; L43-P55 HydrophobicContact CD1-CG 4.39Å; L43-L61 HydrophobicContact CD1-CD1 4.44Å; L43-I66 HydrophobicContact CD2-CD1 3.92Å; L43-I66 HydrophobicContact CD2-CG1 4.44Å; L43-I66 HydrophobicContact CD2-CG2 4.1Å
44Q87.6Confident86.1Confident99 Ų9954.1 Ų54.146%0.46329%0.287SS..Hα-helixtrans-58.7-46.4174.7-72.2179.35.400111.9D40 L47 S48D40-Q44 WeakPolarHBondContact O-CB 3.42Å; D40-Q44 VanDerWaalsContact O-CG 3.31Å; D40-Q44 WeakPolarHBondContact O-CG 3.39Å; D40-Q44 PolarHBondContact O-N 3.39Å; D40-Q44 PolarHBondContact OD1-NE2 3.35Å; D40-Q44 PolarHBondContact OD2-NE2 3.21Å; Q44-L47 PolarHBondContact O-N 3.29Å; Q44-S48 WeakPolarHBondContact O-CB 3.48Å; Q44-S48 PolarHBondContact O-N 3.4Å
45E87.9Confident86Confident120 Ų12053.9 Ų53.956%0.56129%0.285SS*.Hα-helixtrans-58.9-47.9175.6-78.6174-176.900111.3T41 L43 L47 S48T41-E45 WeakPolarHBondContact O-CB 3.31Å; T41-E45 VanDerWaalsContact O-CG 3.29Å; T41-E45 WeakPolarHBondContact O-CG 3.27Å; T41-E45 PolarHBondContact O-N 2.98Å; L43-E45 PolarHBondContact O-N 3.29Å; E45-L47 PolarHBondContact O-N 3.28Å; E45-S48 WeakPolarHBondContact O-CB 3.4Å; E45-S48 PolarHBondContact O-N 2.87Å; E45-S48 PolarHBondContact O-OG 3.21Å
46F85.8Confident86Confident50 Ų5056.5 Ų56.522%0.21929%0.29CS..Hα-helixtrans-61.8-44.6178.5-177.5-94.3000113.4L20 C42 L43 S48 E49 V51 P55L20-F46 HydrophobicContact CD1-CB 3.98Å; L20-F46 HydrophobicContact CD1-CG 4.49Å; L20-F46 HydrophobicContact CD2-CD2 4.07Å; L20-F46 HydrophobicContact CD2-CG 4.36Å; C42-F46 WeakPolarHBondContact O-CB 3.47Å; C42-F46 PolarHBondContact O-N 2.97Å; C42-F46 VanDerWaalsContact O-N 3.07Å; L43-F46 PolarHBondContact O-N 2.91Å; F46-S48 VanDerWaalsContact C-N 3.26Å; F46-S48 PolarHBondContact O-N 3.17Å; F46-E49 WeakPolarHBondContact O-CB 3.19Å; F46-E49 PolarHBondContact O-N 3.14Å; F46-V51 HydrophobicContact CE1-CB 4.08Å; F46-V51 HydrophobicContact CE1-CG1 3.93Å; F46-V51 HydrophobicContact CZ-CB 4.34Å; F46-V51 HydrophobicContact CZ-CG1 4.09Å; F46-P55 HydrophobicContact CD1-CG 3.71Å; F46-P55 HydrophobicContact CE1-CB 4.34Å; F46-P55 HydrophobicContact CE1-CG 3.67Å; F46-P55 HydrophobicContact CG-CG 4.21Å; F46-P55 HydrophobicContact CZ-CB 4.36Å; F46-P55 HydrophobicContact CZ-CG 4.14Å
47L83.8Confident85.8Confident2 Ų256.1 Ų56.11%0.0129%0.29CS..Hα-helixtrans-71.4-21.9-179.6-63.6173.2000112.6L43 Q44 E45 E49 G50 V51 L61 Y63 I66L43-L47 HydrophobicContact CD1-CD1 4.08Å; L43-L47 HydrophobicContact CD1-CD2 4.45Å; L43-L47 HydrophobicContact CD1-CG 4.03Å; L43-L47 HydrophobicContact CD2-CD1 4.5Å; L43-L47 HydrophobicContact CG-CD1 3.85Å; L43-L47 HydrophobicContact CG-CG 4.24Å; L43-L47 WeakPolarHBondContact O-CB 3.49Å; L43-L47 VanDerWaalsContact O-CG 3.24Å; L43-L47 WeakPolarHBondContact O-CG 3.35Å; L43-L47 PolarHBondContact O-N 3.35Å; Q44-L47 PolarHBondContact O-N 3.29Å; E45-L47 PolarHBondContact O-N 3.28Å; L47-E49 PolarHBondContact O-N 2.92Å; L47-G50 PolarHBondContact O-N 2.84Å; L47-V51 WeakPolarHBondContact CD2-O 3.47Å; L47-L61 HydrophobicContact CD1-CD2 3.98Å; L47-L61 HydrophobicContact CD2-CD1 4.43Å; L47-L61 HydrophobicContact CD2-CD2 4.16Å; L47-Y63 HydrophobicContact CB-CE1 4.22Å; L47-Y63 HydrophobicContact CB-CE2 3.97Å; L47-Y63 VanDerWaalsContact CB-CZ 3.45Å; L47-Y63 WeakPolarHBondContact CB-OH 3.09Å; L47-Y63 HydrophobicContact CD1-CD1 4.13Å; L47-Y63 HydrophobicContact CD1-CD2 4.47Å; L47-Y63 HydrophobicContact CD1-CE1 3.58Å; L47-Y63 HydrophobicContact CD1-CE2 3.94Å; L47-Y63 HydrophobicContact CG-CE2 4.46Å; L47-I66 HydrophobicContact CD1-CD1 3.78Å
48S83.4Confident85.4Confident93 Ų9357 Ų5765%0.6530%0.298SS*.Hα-helixtrans-66.1-17.9174.479.10000113.1Q44 E45 F46 G50Q44-S48 WeakPolarHBondContact O-CB 3.48Å; Q44-S48 PolarHBondContact O-N 3.4Å; E45-S48 WeakPolarHBondContact O-CB 3.4Å; E45-S48 PolarHBondContact O-N 2.87Å; E45-S48 PolarHBondContact O-OG 3.21Å; F46-S48 VanDerWaalsContact C-N 3.26Å; F46-S48 PolarHBondContact O-N 3.17Å; S48-G50 PolarHBondContact O-N 3.03Å
49E80.9Confident85Confident149 Ų14961 Ų6170%0.69632%0.319SS*.THydrogen-bonded Turntrans-79.33.4174.7-57.8-174.4170.600113.1F46 L47F46-E49 WeakPolarHBondContact O-CB 3.19Å; F46-E49 PolarHBondContact O-N 3.14Å; L47-E49 PolarHBondContact O-N 2.92Å
50G74Confident84.4Confident48 Ų4865.8 Ų65.850%0.49535%0.35SS..THydrogen-bonded Turntrans86.510175.500000115L47 S48 F52L47-G50 PolarHBondContact O-N 2.84Å; S48-G50 PolarHBondContact O-N 3.03Å; G50-F52 WeakPolarHBondContact O-CD2 3.33Å
51V71.8Confident83.9Confident56 Ų5664.1 Ų64.134%0.33934%0.341SS..  trans-95.7100.5178.7-176.90000110.4F46 L47 K53F46-V51 HydrophobicContact CE1-CB 4.08Å; F46-V51 HydrophobicContact CE1-CG1 3.93Å; F46-V51 HydrophobicContact CZ-CB 4.34Å; F46-V51 HydrophobicContact CZ-CG1 4.09Å; L47-V51 WeakPolarHBondContact CD2-O 3.47Å; V51-K53 HydrophobicContact CG1-CB 4.21Å; V51-K53 PolarHBondContact O-N 2.79Å; V51-K53 VanDerWaalsContact O-N 3.14Å
52F80.6Confident83.4Confident117 Ų11766.4 Ų66.451%0.51335%0.352SS..  trans-89.545.7178.8-60.2-91.7000112.6G50 L61 Y63G50-F52 WeakPolarHBondContact O-CD2 3.33Å; F52-L61 PolarHBondContact O-N 2.89Å; F52-Y63 HydrophobicContact CD1-CD2 4.07Å; F52-Y63 AromaticContact CD1-CE2 3.87Å; F52-Y63 HydrophobicContact CD1-CE2 3.87Å; F52-Y63 AromaticContact CE1-CD2 3.87Å; F52-Y63 HydrophobicContact CE1-CD2 3.87Å; F52-Y63 AromaticContact CE1-CE2 3.5Å; F52-Y63 HydrophobicContact CE1-CE2 3.5Å
53K83Confident82.8Confident106 Ų10671 Ų7146%0.46137%0.369SS..BIsolated β-bridgetrans-130.4145.6178-65.4-179-178.5-178.90109.2V51 L59V51-K53 HydrophobicContact CG1-CB 4.21Å; V51-K53 PolarHBondContact O-N 2.79Å; V51-K53 VanDerWaalsContact O-N 3.14Å; K53-L59 CarbonylContact C-O 3.57Å; K53-L59 VanDerWaalsContact CA-O 3.31Å; K53-L59 WeakPolarHBondContact CA-O 3.42Å
54C84.6Confident82.4Confident0 Ų074.2 Ų74.20%040%0.396CS..  trans-63.5131176.7178.40000110.2E56 D57 Q58 L59 L61C54-E56 PolarHBondContact O-N 2.85Å; C54-E56 VanDerWaalsContact O-N 3.13Å; C54-D57 WeakPolarHBondContact CB-OD1 3.4Å; C54-Q58 VanDerWaalsContact O-CA 3.27Å; C54-Q58 WeakPolarHBondContact O-CA 3.34Å; C54-Q58 PolarHBondContact O-N 2.82Å; C54-L59 PolarHBondContact N-O 2.83Å; C54-L61 HydrophobicContact CB-CD1 4.29Å
55P85.3Confident82.2Confident30 Ų3073.9 Ų73.920%0.19539%0.393CS..THydrogen-bonded Turntrans-57.9-25.3-179.7-25.230.1000115.5L20 F38 L43 F46L20-P55 HydrophobicContact CD1-CG 4.36Å; L20-P55 HydrophobicContact CD2-CB 3.94Å; L20-P55 HydrophobicContact CD2-CG 4.03Å; L20-P55 HydrophobicContact CG-CG 4.48Å; F38-P55 HydrophobicContact CD1-CG 4.49Å; F38-P55 HydrophobicContact CE1-CB 3.93Å; F38-P55 HydrophobicContact CE1-CG 3.77Å; F38-P55 HydrophobicContact CZ-CB 4.15Å; F38-P55 HydrophobicContact CZ-CG 3.87Å; L43-P55 HydrophobicContact CD1-CG 4.39Å; F46-P55 HydrophobicContact CD1-CG 3.71Å; F46-P55 HydrophobicContact CE1-CB 4.34Å; F46-P55 HydrophobicContact CE1-CG 3.67Å; F46-P55 HydrophobicContact CG-CG 4.21Å; F46-P55 HydrophobicContact CZ-CB 4.36Å; F46-P55 HydrophobicContact CZ-CG 4.14Å
56E85.8Confident82.2Confident82 Ų8269.7 Ų69.738%0.38337%0.374SS..THydrogen-bonded Turntrans-92.5-41.2-173.6-75.8-86.7-15200113.1P19 F38 C54P19-E56 HydrophobicContact CB-CG 3.99Å; P19-E56 WeakPolarHBondContact CB-OE1 3.48Å; P19-E56 HydrophobicContact CG-CG 3.84Å; P19-E56 WeakPolarHBondContact CG-OE1 3.43Å; F38-E56 HydrophobicContact CE1-CG 4.2Å; F38-E56 HydrophobicContact CZ-CG 4.04Å; C54-E56 PolarHBondContact O-N 2.85Å; C54-E56 VanDerWaalsContact O-N 3.13Å
57D87.6Confident82.5Confident53 Ų5373.7 Ų73.728%0.28339%0.388SS..THydrogen-bonded Turntrans-122.5-1.6-173.963.622.3000115C34 H36 C54 L59C34-D57 WeakPolarHBondContact CB-OD2 2.96Å; H36-D57 IonicContact CE1-OD2 2.67Å; H36-D57 PolarHBondContact CE1-OD2 3.23Å; H36-D57 IonicContact ND1-OD2 3.96Å; H36-D57 PolarHBondContact ND1-OD2 2.85Å; C54-D57 WeakPolarHBondContact CB-OD1 3.4Å; D57-L59 HydrophobicContact CB-CG 4.41Å; D57-L59 PolarHBondContact O-N 3.01Å; D57-L59 VanDerWaalsContact O-N 3.14Å; D57-L59 VanDerWaalsContact OD1-CB 3.3Å; D57-L59 WeakPolarHBondContact OD1-CB 3.23Å; D57-L59 WeakPolarHBondContact OD1-CG 3.44Å; D57-L59 PolarHBondContact OD1-N 2.84Å
58Q82.8Confident82.8Confident110 Ų11078.3 Ų78.351%0.51442%0.419SS..  trans60.515.1-179.7-57.5-70.7-1.100115.2C54C54-Q58 VanDerWaalsContact O-CA 3.27Å; C54-Q58 WeakPolarHBondContact O-CA 3.34Å; C54-Q58 PolarHBondContact O-N 2.82Å
59L84.1Confident83.3Confident85 Ų8574.5 Ų74.545%0.44539%0.391SS..  trans-69.3145.4173.7-67.8176.5000110.8C34 K53 C54 D57 L61C34-L59 HydrophobicContact CB-CD1 4.07Å; K53-L59 CarbonylContact C-O 3.57Å; K53-L59 VanDerWaalsContact CA-O 3.31Å; K53-L59 WeakPolarHBondContact CA-O 3.42Å; C54-L59 PolarHBondContact N-O 2.83Å; D57-L59 HydrophobicContact CB-CG 4.41Å; D57-L59 PolarHBondContact O-N 3.01Å; D57-L59 VanDerWaalsContact O-N 3.14Å; D57-L59 VanDerWaalsContact OD1-CB 3.3Å; D57-L59 WeakPolarHBondContact OD1-CB 3.23Å; D57-L59 WeakPolarHBondContact OD1-CG 3.44Å; D57-L59 PolarHBondContact OD1-N 2.84Å; L59-L61 PolarHBondContact O-N 2.87Å
60P80.6Confident83.7Confident99 Ų9971 Ų7164%0.64338%0.382SS*.BIsolated β-bridgetrans-54.9130.6176.5-24.533.6000111.6
61L81.8Confident84.5Confident11 Ų1175.8 Ų75.86%0.05839%0.391CS..  trans-114.5128-175.4-169.2156.5000109.6V31 L43 L47 F52 C54 L59 I66V31-L61 HydrophobicContact CB-CD1 4.37Å; V31-L61 HydrophobicContact CG1-CD1 3.78Å; V31-L61 HydrophobicContact CG1-CG 3.83Å; V31-L61 HydrophobicContact CG2-CD1 3.63Å; V31-L61 HydrophobicContact CG2-CG 4.45Å; L43-L61 HydrophobicContact CD1-CD1 4.44Å; L47-L61 HydrophobicContact CD1-CD2 3.98Å; L47-L61 HydrophobicContact CD2-CD1 4.43Å; L47-L61 HydrophobicContact CD2-CD2 4.16Å; F52-L61 PolarHBondContact O-N 2.89Å; C54-L61 HydrophobicContact CB-CD1 4.29Å; L59-L61 PolarHBondContact O-N 2.87Å; L61-I66 HydrophobicContact CD2-CD1 3.66Å; L61-I66 HydrophobicContact CD2-CG1 3.93Å
62D79.7Confident85.4Confident74 Ų7473.6 Ų73.640%0.39638%0.377SS..  trans-106.6127.2174.9177.91.3000109A64 K65D62-A64 PolarHBondContact O-N 2.79Å; D62-A64 PolarHBondContact OD1-N 3.03Å; D62-K65 HydrophobicContact CB-CB 4.2Å; D62-K65 HydrophobicContact CB-CD 4.2Å; D62-K65 HydrophobicContact CB-CG 4.16Å; D62-K65 WeakPolarHBondContact O-CB 3.23Å; D62-K65 PolarHBondContact O-N 3.02Å
63Y78.7Confident85.9Confident105 Ų10571.1 Ų71.141%0.41237%0.367SS..G310 helixtrans-58.6-33.7178.8-89.7-89000112.7L47 F52 K65 I66L47-Y63 HydrophobicContact CB-CE1 4.22Å; L47-Y63 HydrophobicContact CB-CE2 3.97Å; L47-Y63 VanDerWaalsContact CB-CZ 3.45Å; L47-Y63 WeakPolarHBondContact CB-OH 3.09Å; L47-Y63 HydrophobicContact CD1-CD1 4.13Å; L47-Y63 HydrophobicContact CD1-CD2 4.47Å; L47-Y63 HydrophobicContact CD1-CE1 3.58Å; L47-Y63 HydrophobicContact CD1-CE2 3.94Å; L47-Y63 HydrophobicContact CG-CE2 4.46Å; F52-Y63 HydrophobicContact CD1-CD2 4.07Å; F52-Y63 AromaticContact CD1-CE2 3.87Å; F52-Y63 HydrophobicContact CD1-CE2 3.87Å; F52-Y63 AromaticContact CE1-CD2 3.87Å; F52-Y63 HydrophobicContact CE1-CD2 3.87Å; F52-Y63 AromaticContact CE1-CE2 3.5Å; F52-Y63 HydrophobicContact CE1-CE2 3.5Å; Y63-K65 PolarHBondContact O-N 2.98Å; Y63-K65 VanDerWaalsContact O-N 3.12Å; Y63-I66 HydrophobicContact CD1-CD1 4.05Å; Y63-I66 HydrophobicContact CG-CD1 4.45Å; Y63-I66 PolarHBondContact O-N 3.12Å
64A80.7Confident86.3Confident70 Ų7072.9 Ų72.958%0.57938%0.377SS*.G310 helixtrans-68-10.617800000113.1D62 Y67D62-A64 PolarHBondContact O-N 2.79Å; D62-A64 PolarHBondContact OD1-N 3.03Å; A64-Y67 PolarHBondContact O-OH 2.93Å; A64-Y67 VanDerWaalsContact O-OH 3.08Å
65K83.1Confident86.5Confident92 Ų9277 Ų7740%0.440%0.396SS..G310 helixtrans-108.511.4-175.9-72.1-168.1-173-178.70113.4S32 T33 D62 Y63S32-K65 WeakPolarHBondContact CB-O 3.43Å; S32-K65 PolarHBondContact N-O 2.83Å; S32-K65 VanDerWaalsContact OG-CB 3.28Å; S32-K65 WeakPolarHBondContact OG-CB 3.47Å; S32-K65 PolarHBondContact OG-O 3.34Å; T33-K65 HydrophobicContact CG2-CD 3.72Å; D62-K65 HydrophobicContact CB-CB 4.2Å; D62-K65 HydrophobicContact CB-CD 4.2Å; D62-K65 HydrophobicContact CB-CG 4.16Å; D62-K65 WeakPolarHBondContact O-CB 3.23Å; D62-K65 PolarHBondContact O-N 3.02Å; Y63-K65 PolarHBondContact O-N 2.98Å; Y63-K65 VanDerWaalsContact O-N 3.12Å
66I88.3Confident86.7Confident32 Ų3275.7 Ų75.716%0.16439%0.387CS..EExtended strand (participates in β ladder)trans-98.3125.8172.8-53.8172000108.3V29 L43 L47 L61 Y63V29-I66 HydrophobicContact CB-CG2 3.72Å; V29-I66 HydrophobicContact CG1-CG2 4.32Å; V29-I66 HydrophobicContact CG2-CG2 3.96Å; L43-I66 HydrophobicContact CD2-CD1 3.92Å; L43-I66 HydrophobicContact CD2-CG1 4.44Å; L43-I66 HydrophobicContact CD2-CG2 4.1Å; L47-I66 HydrophobicContact CD1-CD1 3.78Å; L61-I66 HydrophobicContact CD2-CD1 3.66Å; L61-I66 HydrophobicContact CD2-CG1 3.93Å; Y63-I66 HydrophobicContact CD1-CD1 4.05Å; Y63-I66 HydrophobicContact CG-CD1 4.45Å; Y63-I66 PolarHBondContact O-N 3.12Å
67Y91.1Very high86.9Confident133 Ų13374 Ų7452%0.52238%0.381SS..EExtended strand (participates in β ladder)trans-128.2143.7-179.8-60.1-79000110.9V29 Q30 A64V29-Y67 CarbonylContact C-O 3.52Å; V29-Y67 VanDerWaalsContact CA-O 3.31Å; V29-Y67 WeakPolarHBondContact CA-O 3.26Å; Q30-Y67 PolarHBondContact N-O 3.5Å; Q30-Y67 PolarHBondContact O-N 3.18Å; A64-Y67 PolarHBondContact O-OH 2.93Å; A64-Y67 VanDerWaalsContact O-OH 3.08Å
68P91.4Very high87.1Confident99 Ų9973.4 Ų73.464%0.64338%0.383SS*.EExtended strand (participates in β ladder)trans-54.1146.1166.2-2333.6000110.6P70P68-P70 VanDerWaalsContact C-CD 3.5Å; P68-P70 VanDerWaalsContact O-CD 3.27Å; P68-P70 WeakPolarHBondContact O-CD 3.37Å
69D93Very high87.4Confident14 Ų1469.4 Ų69.48%0.07537%0.365CS..  trans-114.981176.5-171.6-18.5000109.9P28 Q30 R37 E71 L72 E73P28-D69 HydrophobicContact CG-CB 4.5Å; P28-D69 PolarHBondContact O-N 2.81Å; Q30-D69 HydrophobicContact CB-CB 4.43Å; R37-D69 IonicContact CZ-OD2 3.07Å; R37-D69 IonicContact NE-OD2 2.96Å; R37-D69 PolarHBondContact NE-OD2 2.86Å; R37-D69 IonicContact NH2-OD2 2.82Å; R37-D69 PolarHBondContact NH2-OD2 2.84Å; D69-E71 PolarHBondContact O-N 2.93Å; D69-E71 PolarHBondContact OD1-N 2.83Å; D69-L72 HydrophobicContact CB-CB 4.07Å; D69-L72 PolarHBondContact O-N 3.26Å; D69-L72 WeakPolarHBondContact OD1-CB 3.39Å; D69-L72 PolarHBondContact OD1-N 2.61Å; D69-L72 WeakPolarHBondContact OD2-CB 3.34Å; D69-E73 PolarHBondContact O-N 3.01Å
70P90.5Very high87.8Confident76 Ų7667.8 Ų67.849%0.49436%0.36SS..Hα-helixtrans-63.3-29.8-177.8-21.532.7000113P68 E73 Q74P68-P70 VanDerWaalsContact C-CD 3.5Å; P68-P70 VanDerWaalsContact O-CD 3.27Å; P68-P70 WeakPolarHBondContact O-CD 3.37Å; P70-E73 PolarHBondContact O-N 2.92Å; P70-Q74 WeakPolarHBondContact O-CG 3.35Å; P70-Q74 PolarHBondContact O-N 2.91Å
71E90.4Very high88.4Confident148 Ų14863.1 Ų63.169%0.69233%0.329SS*.Hα-helixtrans-67.7-44.8178.7-67.8-179.517900110.8D69 Q75D69-E71 PolarHBondContact O-N 2.93Å; D69-E71 PolarHBondContact OD1-N 2.83Å; E71-Q75 WeakPolarHBondContact O-CG 3.39Å; E71-Q75 PolarHBondContact O-N 3.44Å; E71-Q75 VanDerWaalsContact O-N 3.13Å
72L90Very high88.9Confident10 Ų1068.9 Ų68.95%0.05235%0.35CS..Hα-helixtrans-66.6-39.9173.4-168.876.8000111.4F16 M25 P28 R37 D69 Q74 Q75 I76F16-L72 HydrophobicContact CD1-CD1 3.71Å; F16-L72 HydrophobicContact CE1-CD1 3.82Å; M25-L72 HydrophobicContact SD-CD2 3.81Å; P28-L72 HydrophobicContact CB-CD2 3.56Å; P28-L72 HydrophobicContact CB-CG 4.4Å; P28-L72 HydrophobicContact CG-CB 4.12Å; P28-L72 HydrophobicContact CG-CD2 3.99Å; P28-L72 HydrophobicContact CG-CG 4.31Å; R37-L72 HydrophobicContact CB-CD2 4.35Å; R37-L72 HydrophobicContact CG-CD2 4.3Å; D69-L72 HydrophobicContact CB-CB 4.07Å; D69-L72 PolarHBondContact O-N 3.26Å; D69-L72 WeakPolarHBondContact OD1-CB 3.39Å; D69-L72 PolarHBondContact OD1-N 2.61Å; D69-L72 WeakPolarHBondContact OD2-CB 3.34Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 3.31Å; L72-Q75 WeakPolarHBondContact O-CB 3.3Å; L72-Q75 PolarHBondContact O-N 3.43Å; L72-Q75 VanDerWaalsContact O-N 3.16Å; L72-I76 HydrophobicContact CD2-CD1 4.08Å; L72-I76 HydrophobicContact CG-CD1 3.91Å; L72-I76 HydrophobicContact CG-CG1 4.37Å; L72-I76 VanDerWaalsContact O-CG1 3.3Å; L72-I76 WeakPolarHBondContact O-CG1 3.38Å; L72-I76 PolarHBondContact O-N 3.26Å
73E92Very high89.4Confident64 Ų6465.4 Ų65.430%0.29933%0.331SS..Hα-helixtrans-58.1-46.9176.7-170.5174.3-162.400111.4P28 D69 P70 Q75 I76 L77P28-E73 HydrophobicContact CG-CB 3.8Å; D69-E73 PolarHBondContact O-N 3.01Å; P70-E73 PolarHBondContact O-N 2.92Å; E73-Q75 VanDerWaalsContact C-N 3.32Å; E73-Q75 PolarHBondContact O-N 2.94Å; E73-I76 PolarHBondContact O-N 3.14Å; E73-L77 HydrophobicContact CG-CD1 3.96Å; E73-L77 HydrophobicContact CG-CG 4.32Å; E73-L77 WeakPolarHBondContact O-CB 3.41Å; E73-L77 VanDerWaalsContact O-CG 3.28Å; E73-L77 WeakPolarHBondContact O-CG 3.27Å; E73-L77 PolarHBondContact O-N 2.91Å
74Q90.2Very high89.9Confident143 Ų14364.1 Ų64.167%0.66833%0.331SS*.Hα-helixtrans-61.1-40175.4-74.2-178.125.200112.4P70 L72 L77 A78P70-Q74 WeakPolarHBondContact O-CG 3.35Å; P70-Q74 PolarHBondContact O-N 2.91Å; L72-Q74 VanDerWaalsContact C-N 3.34Å; L72-Q74 PolarHBondContact O-N 3.31Å; Q74-L77 PolarHBondContact O-N 3.4Å; Q74-A78 VanDerWaalsContact O-CB 3.28Å; Q74-A78 WeakPolarHBondContact O-CB 3.21Å; Q74-A78 PolarHBondContact O-N 3.12Å
75Q89.9Confident90.3Very high88 Ų8862.1 Ų62.141%0.41131%0.31SS..Hα-helixtrans-64.7-40.3175.8-71.8176.749.500112.1F16 E71 L72 E73 A78 L79F16-Q75 HydrophobicContact CE1-CB 3.83Å; F16-Q75 HydrophobicContact CZ-CB 4.12Å; E71-Q75 WeakPolarHBondContact O-CG 3.39Å; E71-Q75 PolarHBondContact O-N 3.44Å; E71-Q75 VanDerWaalsContact O-N 3.13Å; L72-Q75 WeakPolarHBondContact O-CB 3.3Å; L72-Q75 PolarHBondContact O-N 3.43Å; L72-Q75 VanDerWaalsContact O-N 3.16Å; E73-Q75 VanDerWaalsContact C-N 3.32Å; E73-Q75 PolarHBondContact O-N 2.94Å; Q75-A78 PolarHBondContact O-N 2.94Å; Q75-L79 PolarHBondContact O-N 3.32Å
76I90.1Very high90.5Very high1 Ų159.3 Ų59.31%0.00530%0.302CS..Hα-helixtrans-68.3-43.5177.1-67.5171.5000110.6F4 F16 A24 M25 P28 L72 E73 A78 L79 M96F4-I76 HydrophobicContact CD2-CG2 4.03Å; F4-I76 HydrophobicContact CE2-CG2 4.11Å; F16-I76 HydrophobicContact CB-CD1 4.47Å; F16-I76 HydrophobicContact CB-CG1 4.07Å; F16-I76 HydrophobicContact CD1-CG1 3.84Å; F16-I76 HydrophobicContact CG-CG1 4.18Å; A24-I76 HydrophobicContact CB-CG2 4.29Å; M25-I76 HydrophobicContact CB-CD1 3.71Å; M25-I76 HydrophobicContact CG-CD1 4.49Å; M25-I76 WeakPolarHBondContact O-CD1 3.4Å; P28-I76 HydrophobicContact CG-CD1 4.36Å; L72-I76 HydrophobicContact CD2-CD1 4.08Å; L72-I76 HydrophobicContact CG-CD1 3.91Å; L72-I76 HydrophobicContact CG-CG1 4.37Å; L72-I76 VanDerWaalsContact O-CG1 3.3Å; L72-I76 WeakPolarHBondContact O-CG1 3.38Å; L72-I76 PolarHBondContact O-N 3.26Å; E73-I76 PolarHBondContact O-N 3.14Å; I76-A78 PolarHBondContact O-N 3.02Å; I76-L79 HydrophobicContact CG2-CD1 4.35Å; I76-L79 VanDerWaalsContact O-CB 3.23Å; I76-L79 WeakPolarHBondContact O-CB 3.47Å; I76-L79 VanDerWaalsContact O-CG 3.29Å; I76-L79 WeakPolarHBondContact O-CG 3.35Å; I76-L79 PolarHBondContact O-N 2.77Å; I76-M96 HydrophobicContact CG2-CE 4.46Å
77L89.9Confident90.3Very high48 Ų4865.7 Ų65.725%0.25133%0.331SS..Hα-helixtrans-68.6-19.4176.9-69.9176.5000113.3F4 E73 Q74 L79 M96 K97F4-L77 HydrophobicContact CE2-CD2 4.39Å; F4-L77 HydrophobicContact CZ-CD2 4.03Å; E73-L77 HydrophobicContact CG-CD1 3.96Å; E73-L77 HydrophobicContact CG-CG 4.32Å; E73-L77 WeakPolarHBondContact O-CB 3.41Å; E73-L77 VanDerWaalsContact O-CG 3.28Å; E73-L77 WeakPolarHBondContact O-CG 3.27Å; E73-L77 PolarHBondContact O-N 2.91Å; Q74-L77 PolarHBondContact O-N 3.4Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L77-M96 HydrophobicContact CD2-CG 4.18Å; L77-M96 HydrophobicContact CD2-SD 3.81Å; L77-M96 WeakPolarHBondContact O-CB 3.15Å; L77-M96 PolarHBondContact O-N 3.5Å; L77-M96 VanDerWaalsContact O-N 3.09Å; L77-K97 HydrophobicContact CB-CB 4.31Å; L77-K97 PolarHBondContact O-N 2.94Å
78A90.1Very high90Very high39 Ų3965 Ų6532%0.32233%0.332SS..THydrogen-bonded Turntrans-82.6-8.2172.200000113.3Q74 Q75 I76Q74-A78 VanDerWaalsContact O-CB 3.28Å; Q74-A78 WeakPolarHBondContact O-CB 3.21Å; Q74-A78 PolarHBondContact O-N 3.12Å; Q75-A78 PolarHBondContact O-N 2.94Å; I76-A78 PolarHBondContact O-N 3.02Å
79L90.9Very high89.7Confident27 Ų2762.2 Ų62.214%0.14132%0.321CS..SBendtrans-63.1139179.6-67.9174.4000111.3F8 P12 F16 Q75 I76 L77 M96F8-L79 HydrophobicContact CD1-CB 4.1Å; F8-L79 HydrophobicContact CD1-CD1 4.34Å; F8-L79 HydrophobicContact CE1-CB 3.95Å; F8-L79 HydrophobicContact CE1-CD1 3.86Å; P12-L79 HydrophobicContact CB-CD1 4.26Å; P12-L79 HydrophobicContact CG-CD1 4.47Å; F16-L79 HydrophobicContact CD2-CD1 4.25Å; F16-L79 HydrophobicContact CD2-CD2 4.12Å; F16-L79 HydrophobicContact CE2-CD2 4.04Å; Q75-L79 PolarHBondContact O-N 3.32Å; I76-L79 HydrophobicContact CG2-CD1 4.35Å; I76-L79 VanDerWaalsContact O-CB 3.23Å; I76-L79 WeakPolarHBondContact O-CB 3.47Å; I76-L79 VanDerWaalsContact O-CG 3.29Å; I76-L79 WeakPolarHBondContact O-CG 3.35Å; I76-L79 PolarHBondContact O-N 2.77Å; L77-L79 VanDerWaalsContact C-N 3.33Å; L79-M96 PolarHBondContact O-N 3.21Å; L79-M96 VanDerWaalsContact O-N 3.13Å
80P91.6Very high89.5Confident50 Ų5062.2 Ų62.233%0.32532%0.322SS..EExtended strand (participates in β ladder)trans-77.2127.3-178.831.2-34.5000111.2L9 G94L9-P80 HydrophobicContact CB-CB 4.31Å; L9-P80 HydrophobicContact CB-CG 4.32Å; L9-P80 HydrophobicContact CD1-CB 3.74Å; L9-P80 HydrophobicContact CG-CB 4.39Å; L9-P80 PolarHBondContact N-O 3.24Å; P80-G94 WeakPolarHBondContact CA-O 3.42Å
81I93.1Very high89.5Confident1 Ų169.9 Ų69.91%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-126158.517963.1167.2000111.1Y6 K7 F8 W92 T93 G94 M96 L99Y6-I81 HydrophobicContact CD2-CD1 4.26Å; Y6-I81 HydrophobicContact CG-CD1 4.28Å; K7-I81 WeakPolarHBondContact O-CA 3.14Å; F8-I81 HydrophobicContact CD1-CG2 3.59Å; F8-I81 HydrophobicContact CE1-CG2 3.81Å; F8-I81 HydrophobicContact CG-CG2 4.18Å; I81-W92 HydrophobicContact CG1-CZ3 4.31Å; I81-T93 VanDerWaalsContact O-CA 3.32Å; I81-T93 WeakPolarHBondContact O-CA 3.43Å; I81-G94 PolarHBondContact N-O 2.62Å; I81-G94 PolarHBondContact O-N 3.02Å; I81-M96 HydrophobicContact CD1-CB 4.16Å; I81-M96 HydrophobicContact CD1-CG 4.2Å; I81-M96 HydrophobicContact CG2-CE 4.3Å; I81-L99 HydrophobicContact CD1-CB 4.11Å; I81-L99 HydrophobicContact CD1-CD1 4.02Å; I81-L99 HydrophobicContact CD1-CD2 3.78Å; I81-L99 HydrophobicContact CD1-CG 4.18Å
82R91.6Very high89.6Confident133 Ų13365.8 Ų65.850%0.50232%0.319SS..EExtended strand (participates in β ladder)trans-94.7152.3165.8-59.4-165.8159.7139.94.3110.1K7 L9 T93K7-R82 HydrophobicContact CB-CB 4.42Å; K7-R82 PolarHBondContact O-N 2.82Å; L9-R82 HydrophobicContact CD2-CG 3.41Å; L9-R82 VanDerWaalsContact CD2-CG 3.41Å; L9-R82 HydrophobicContact CG-CG 4.03Å; R82-T93 HydrophobicContact CG-CG2 4.01Å
83C90.9Very high89.6Confident0 Ų068.8 Ų68.80%034%0.338CS..  trans-56.1146.3170.9-1750000111.2H85 S86 C90 W92 H102C83-H85 PolarHBondContact O-N 3.24Å; C83-H85 PolarHBondContact SG-N 3.36Å; C83-S86 WeakPolarHBondContact O-CB 3.18Å; C83-S86 PolarHBondContact O-N 2.87Å; C83-S86 PolarHBondContact O-OG 2.82Å; C83-C90 HydrophobicContact CB-CB 4.05Å; C83-W92 HydrophobicContact CB-CB 4.38Å; C83-W92 HydrophobicContact CB-CE3 4.19Å; C83-W92 PolarHBondContact N-O 3.21Å; C83-W92 VanDerWaalsContact N-O 3.11Å; C83-H102 PolarHBondContact SG-NE2 3.02Å
84I89.1Confident89.5Confident78 Ų7866.4 Ų66.440%0.433%0.331SS..G310 helixtrans-58.1-32.8174.162.4177.1000111.6S86 F103I84-S86 PolarHBondContact O-N 2.87Å; I84-F103 HydrophobicContact CD1-CE1 3.81Å; I84-F103 HydrophobicContact CD1-CZ 3.81Å; I84-F103 HydrophobicContact CG1-CE1 3.91Å; I84-F103 HydrophobicContact CG1-CZ 4.14Å
85H88.8Confident89.6Confident29 Ų2962.8 Ų62.813%0.13431%0.314CS..G310 helixtrans-83.718.4177.1-56.5-72.3000113.6C83 E87 E88 G89 C90 F108C83-H85 PolarHBondContact O-N 3.24Å; C83-H85 PolarHBondContact SG-N 3.36Å; H85-E87 VanDerWaalsContact C-N 3.26Å; H85-E87 PolarHBondContact O-N 3.14Å; H85-E88 HydrophobicContact CB-CB 4.47Å; H85-E88 WeakPolarHBondContact CB-OE2 3.24Å; H85-E88 IonicContact CE1-OE2 3.3Å; H85-E88 IonicContact CG-OE2 3.02Å; H85-E88 IonicContact ND1-OE2 2.79Å; H85-E88 PolarHBondContact ND1-OE2 2.75Å; H85-E88 PolarHBondContact O-N 2.82Å; H85-E88 VanDerWaalsContact O-N 3.12Å; H85-G89 PolarHBondContact O-N 2.92Å; H85-C90 HydrophobicContact CB-CB 3.94Å; H85-C90 VanDerWaalsContact O-CB 3.25Å; H85-C90 WeakPolarHBondContact O-CB 3.16Å; H85-C90 PolarHBondContact O-N 2.8Å; H85-F108 HydrophobicContact CB-CB 3.75Å; H85-F108 HydrophobicContact CB-CG 4.47Å
86S87.9Confident89.5Confident33 Ų3359 Ų5923%0.23130%0.297CS..G310 helixtrans-63.9-30.5-179.244.50000113.5C83 I84 E88 G89 C90C83-S86 WeakPolarHBondContact O-CB 3.18Å; C83-S86 PolarHBondContact O-N 2.87Å; C83-S86 PolarHBondContact O-OG 2.82Å; I84-S86 PolarHBondContact O-N 2.87Å; S86-E88 VanDerWaalsContact C-N 3.33Å; S86-G89 PolarHBondContact O-N 3.35Å; S86-C90 VanDerWaalsContact CA-O 3.32Å; S86-C90 WeakPolarHBondContact CA-O 3.31Å
87E84.7Confident89.3Confident166 Ų16665.4 Ų65.478%0.77632%0.324SS*.THydrogen-bonded Turntrans-72.1-26.8173.6-76.6163.5-162.800112.6K7 H85 G89K7-E87 IonicContact NZ-OE1 3.49Å; K7-E87 PolarHBondContact NZ-OE1 3.31Å; K7-E87 IonicContact NZ-OE2 3.97Å; K7-E87 PolarHBondContact NZ-OE2 3.05Å; K7-E87 VanDerWaalsContact NZ-OE2 3.15Å; H85-E87 VanDerWaalsContact C-N 3.26Å; H85-E87 PolarHBondContact O-N 3.14Å; E87-G89 PolarHBondContact O-N 2.54Å
88E83.4Confident89.3Confident119 Ų11967.7 Ų67.756%0.55633%0.333SS*.THydrogen-bonded Turntrans-83-4.6176-59.8177.9148.900112.2H85 S86 F108H85-E88 HydrophobicContact CB-CB 4.47Å; H85-E88 WeakPolarHBondContact CB-OE2 3.24Å; H85-E88 IonicContact CE1-OE2 3.3Å; H85-E88 IonicContact CG-OE2 3.02Å; H85-E88 IonicContact ND1-OE2 2.79Å; H85-E88 PolarHBondContact ND1-OE2 2.75Å; H85-E88 PolarHBondContact O-N 2.82Å; H85-E88 VanDerWaalsContact O-N 3.12Å; S86-E88 VanDerWaalsContact C-N 3.33Å; E88-F108 HydrophobicContact CB-CD1 3.96Å; E88-F108 HydrophobicContact CB-CE1 4.4Å; E88-F108 HydrophobicContact CB-CG 4.48Å; E88-F108 WeakPolarHBondContact O-CE1 3.31Å; E88-F108 WeakPolarHBondContact O-CZ 2.81Å
89G84.8Confident89.2Confident39 Ų3966 Ų6640%0.40232%0.319SS..THydrogen-bonded Turntrans111.74.5175.800000114.9H85 S86 E87 R91 F108H85-G89 PolarHBondContact O-N 2.92Å; S86-G89 PolarHBondContact O-N 3.35Å; E87-G89 PolarHBondContact O-N 2.54Å; G89-R91 PolarHBondContact O-N 2.95Å; G89-F108 VanDerWaalsContact C-CE2 3.49Å
90C90.5Very high89Confident14 Ų1472.9 Ų72.910%0.09535%0.35CS..  trans-68.9113.8173.2-172.10000111C83 H85 S86 W92 H102 F108C83-C90 HydrophobicContact CB-CB 4.05Å; H85-C90 HydrophobicContact CB-CB 3.94Å; H85-C90 VanDerWaalsContact O-CB 3.25Å; H85-C90 WeakPolarHBondContact O-CB 3.16Å; H85-C90 PolarHBondContact O-N 2.8Å; S86-C90 VanDerWaalsContact CA-O 3.32Å; S86-C90 WeakPolarHBondContact CA-O 3.31Å; C90-W92 VanDerWaalsContact C-N 3.28Å; C90-W92 PolarHBondContact O-N 3.4Å; C90-H102 VanDerWaalsContact SG-CE1 3.55Å; C90-H102 PolarHBondContact SG-NE2 3.18Å; C90-H102 VanDerWaalsContact SG-NE2 3.39Å; C90-F108 HydrophobicContact CB-CD2 3.67Å; C90-F108 HydrophobicContact CB-CE2 4.16Å; C90-F108 HydrophobicContact CB-CG 4.47Å
91R90.1Very high88.7Confident238 Ų23872.7 Ų72.790%0.89836%0.358SS*.  trans-87.68.2-179.5-58.6-173.4-176.6-165.40.2114G89 T93G89-R91 PolarHBondContact O-N 2.95Å; R91-T93 PolarHBondContact O-N 3.31Å
92W91.7Very high88.6Confident61 Ų6173.4 Ų73.423%0.23136%0.361CS..  trans-70.5129.6-177.2-176.486.1000111.5I81 C83 C90 Q98 L99 H102I81-W92 HydrophobicContact CG1-CZ3 4.31Å; C83-W92 HydrophobicContact CB-CB 4.38Å; C83-W92 HydrophobicContact CB-CE3 4.19Å; C83-W92 PolarHBondContact N-O 3.21Å; C83-W92 VanDerWaalsContact N-O 3.11Å; C90-W92 VanDerWaalsContact C-N 3.28Å; C90-W92 PolarHBondContact O-N 3.4Å; W92-Q98 HydrophobicContact CH2-CB 4.35Å; W92-Q98 HydrophobicContact CZ2-CB 3.98Å; W92-L99 HydrophobicContact CE3-CD1 4.33Å; W92-L99 HydrophobicContact CH2-CB 4.28Å; W92-L99 HydrophobicContact CH2-CD1 4.2Å; W92-L99 HydrophobicContact CZ3-CB 4.48Å; W92-L99 HydrophobicContact CZ3-CD1 3.59Å; W92-H102 WeakPolarHBondContact CB-CE1 3.49Å; W92-H102 AromaticContact CD1-CE1 3.97Å; W92-H102 AromaticContact CD1-CG 3.87Å; W92-H102 AromaticContact CD1-ND1 3.44Å; W92-H102 HydrophobicContact CD2-CB 3.75Å; W92-H102 AromaticContact CD2-CD2 3.61Å; W92-H102 AromaticContact CD2-CG 3.37Å; W92-H102 AromaticContact CD2-ND1 3.7Å; W92-H102 AromaticContact CE2-CG 3.67Å; W92-H102 HydrophobicContact CE3-CB 4.16Å; W92-H102 AromaticContact CE3-CD2 3.59Å; W92-H102 AromaticContact CE3-CG 3.79Å; W92-H102 HydrophobicContact CG-CB 4.26Å; W92-H102 AromaticContact CG-CD2 3.85Å; W92-H102 AromaticContact CG-CE1 3.46Å; W92-H102 VanDerWaalsContact CG-CE1 3.46Å; W92-H102 AromaticContact CG-CG 3.53Å; W92-H102 AromaticContact CG-ND1 3.28Å; W92-H102 VanDerWaalsContact CG-ND1 3.28Å; W92-H102 AromaticContact CG-NE2 3.82Å; W92-H102 HydrophobicContact CH2-CB 4.13Å; W92-H102 HydrophobicContact CZ2-CB 3.71Å; W92-H102 HydrophobicContact CZ3-CB 4.34Å; W92-H102 AromaticContact NE1-CG 3.93Å; W92-H102 AromaticContact NE1-ND1 3.89Å
93T89.6Confident88.4Confident73 Ų7369.6 Ų69.645%0.44835%0.349SS..EExtended strand (participates in β ladder)trans-131.5136.217261.90000108.3L9 I81 R82 R91L9-T93 HydrophobicContact CD1-CG2 4.27Å; L9-T93 HydrophobicContact CD2-CG2 4.18Å; I81-T93 VanDerWaalsContact O-CA 3.32Å; I81-T93 WeakPolarHBondContact O-CA 3.43Å; R82-T93 HydrophobicContact CG-CG2 4.01Å; R91-T93 PolarHBondContact O-N 3.31Å
94G90.8Very high88.1Confident14 Ų1473 Ų7314%0.14437%0.372CS..EExtended strand (participates in β ladder)trans-170.9-176.3-177.500000112.3P80 I81P80-G94 WeakPolarHBondContact CA-O 3.42Å; I81-G94 PolarHBondContact N-O 2.62Å; I81-G94 PolarHBondContact O-N 3.02Å
95Q91.6Very high88Confident67 Ų6774 Ų7431%0.31338%0.382SS..EExtended strand (participates in β ladder)trans-72.4145.3175.6-62.1-176.7-1.100109.7K97 Q98Q95-K97 HydrophobicContact CB-CG 4.11Å; Q95-K97 PolarHBondContact O-N 3.15Å; Q95-K97 VanDerWaalsContact O-N 3.16Å; Q95-Q98 HydrophobicContact CB-CG 4.35Å; Q95-Q98 WeakPolarHBondContact O-CA 3.28Å; Q95-Q98 WeakPolarHBondContact O-CB 3.47Å; Q95-Q98 PolarHBondContact O-N 2.97Å
96M88.1Confident88.2Confident10 Ų1072.7 Ų72.75%0.04938%0.376CS..G310 helixtrans-53.2-38.4178.8-173.7-174.4-54.800112.8F4 Y6 F8 I76 L77 L79 I81 Q98 L99F4-M96 HydrophobicContact CB-CE 4.21Å; F4-M96 HydrophobicContact CB-SD 4.4Å; F4-M96 HydrophobicContact CD1-SD 3.78Å; F4-M96 HydrophobicContact CD2-CE 4.13Å; F4-M96 HydrophobicContact CD2-SD 3.74Å; F4-M96 HydrophobicContact CE1-SD 3.87Å; F4-M96 HydrophobicContact CE2-SD 3.83Å; F4-M96 HydrophobicContact CG-CE 4.11Å; F4-M96 HydrophobicContact CG-SD 3.72Å; F4-M96 HydrophobicContact CZ-SD 3.89Å; Y6-M96 HydrophobicContact CD2-CE 3.6Å; Y6-M96 HydrophobicContact CD2-CG 3.76Å; Y6-M96 HydrophobicContact CD2-SD 3.63Å; Y6-M96 HydrophobicContact CE2-CE 4.1Å; Y6-M96 HydrophobicContact CE2-CG 3.52Å; Y6-M96 HydrophobicContact CE2-SD 3.47Å; Y6-M96 WeakPolarHBondContact CE2-SD 3.42Å; F8-M96 HydrophobicContact CE1-CE 3.44Å; F8-M96 VanDerWaalsContact CE1-CE 3.44Å; F8-M96 HydrophobicContact CZ-CE 3.55Å; I76-M96 HydrophobicContact CG2-CE 4.46Å; L77-M96 HydrophobicContact CD2-CG 4.18Å; L77-M96 HydrophobicContact CD2-SD 3.81Å; L77-M96 WeakPolarHBondContact O-CB 3.15Å; L77-M96 PolarHBondContact O-N 3.5Å; L77-M96 VanDerWaalsContact O-N 3.09Å; L79-M96 PolarHBondContact O-N 3.21Å; L79-M96 VanDerWaalsContact O-N 3.13Å; I81-M96 HydrophobicContact CD1-CB 4.16Å; I81-M96 HydrophobicContact CD1-CG 4.2Å; I81-M96 HydrophobicContact CG2-CE 4.3Å; M96-Q98 PolarHBondContact O-N 3.49Å; M96-Q98 VanDerWaalsContact O-N 3.12Å; M96-L99 VanDerWaalsContact O-CB 3.24Å; M96-L99 WeakPolarHBondContact O-CB 3.47Å; M96-L99 PolarHBondContact O-N 3.35Å; M96-L99 VanDerWaalsContact O-N 3.09Å
97K86.7Confident88.2Confident135 Ų13573.1 Ų73.159%0.58738%0.382SS*.G310 helixtrans-58.5-23.2174.877.4-168.1-165.8-160.60114.6L77 Q95L77-K97 HydrophobicContact CB-CB 4.31Å; L77-K97 PolarHBondContact O-N 2.94Å; Q95-K97 HydrophobicContact CB-CG 4.11Å; Q95-K97 PolarHBondContact O-N 3.15Å; Q95-K97 VanDerWaalsContact O-N 3.16Å
98Q89.6Confident88.5Confident95 Ų9567.2 Ų67.244%0.44435%0.353SS..G310 helixtrans-93-6.2-178.3-62.6169.1-30.700112.9W92 Q95 M96 Q100 G101 H102W92-Q98 HydrophobicContact CH2-CB 4.35Å; W92-Q98 HydrophobicContact CZ2-CB 3.98Å; Q95-Q98 HydrophobicContact CB-CG 4.35Å; Q95-Q98 WeakPolarHBondContact O-CA 3.28Å; Q95-Q98 WeakPolarHBondContact O-CB 3.47Å; Q95-Q98 PolarHBondContact O-N 2.97Å; M96-Q98 PolarHBondContact O-N 3.49Å; M96-Q98 VanDerWaalsContact O-N 3.12Å; Q98-Q100 PolarHBondContact O-N 3.39Å; Q98-G101 PolarHBondContact O-N 3.23Å; Q98-G101 VanDerWaalsContact O-N 3.16Å; Q98-H102 PolarHBondContact O-N 2.95Å
99L87.6Confident88.8Confident5 Ų563.4 Ų63.43%0.02634%0.337CS..Hα-helixtrans-60.6-42.2-175.2-176.765.3000112.8Y6 I81 W92 M96 G101 H102 F103Y6-L99 HydrophobicContact CD1-CD2 4.22Å; Y6-L99 HydrophobicContact CE1-CD2 3.73Å; Y6-L99 HydrophobicContact CE2-CD2 4.36Å; I81-L99 HydrophobicContact CD1-CB 4.11Å; I81-L99 HydrophobicContact CD1-CD1 4.02Å; I81-L99 HydrophobicContact CD1-CD2 3.78Å; I81-L99 HydrophobicContact CD1-CG 4.18Å; W92-L99 HydrophobicContact CE3-CD1 4.33Å; W92-L99 HydrophobicContact CH2-CB 4.28Å; W92-L99 HydrophobicContact CH2-CD1 4.2Å; W92-L99 HydrophobicContact CZ3-CB 4.48Å; W92-L99 HydrophobicContact CZ3-CD1 3.59Å; M96-L99 VanDerWaalsContact O-CB 3.24Å; M96-L99 WeakPolarHBondContact O-CB 3.47Å; M96-L99 PolarHBondContact O-N 3.35Å; M96-L99 VanDerWaalsContact O-N 3.09Å; L99-G101 VanDerWaalsContact C-N 3.33Å; L99-G101 PolarHBondContact O-N 3.45Å; L99-H102 WeakPolarHBondContact O-CB 3.49Å; L99-H102 PolarHBondContact O-N 3.01Å; L99-F103 HydrophobicContact CD1-CE1 4.32Å; L99-F103 HydrophobicContact CD1-CE2 4.2Å; L99-F103 HydrophobicContact CD1-CZ 3.92Å; L99-F103 HydrophobicContact CD2-CE2 3.99Å; L99-F103 HydrophobicContact CD2-CZ 4.11Å; L99-F103 HydrophobicContact CG-CD2 4.3Å; L99-F103 HydrophobicContact CG-CE2 3.7Å; L99-F103 HydrophobicContact CG-CZ 3.91Å; L99-F103 PolarHBondContact O-N 3.16Å
100Q86.1Confident89.1Confident170 Ų17065.3 Ų65.379%0.79434%0.341SS*.Hα-helixtrans-62.1-41.1176.3-80.4-161.1-12.900112.1Q98 H102 F103Q98-Q100 PolarHBondContact O-N 3.39Å; Q100-H102 VanDerWaalsContact C-N 3.32Å; Q100-H102 PolarHBondContact O-N 3.12Å; Q100-F103 PolarHBondContact O-N 3.35Å
101G86.9Confident89.1Confident47 Ų4765.8 Ų65.849%0.48534%0.342SS..Hα-helixtrans-60.6-41.7173.600000112Q98 L99 S104Q98-G101 PolarHBondContact O-N 3.23Å; Q98-G101 VanDerWaalsContact O-N 3.16Å; L99-G101 VanDerWaalsContact C-N 3.33Å; L99-G101 PolarHBondContact O-N 3.45Å; G101-S104 PolarHBondContact O-N 2.87Å; G101-S104 PolarHBondContact O-OG 2.63Å
102H90Very high89.1Confident16 Ų1659 Ų597%0.07433%0.329CS..Hα-helixtrans-63.2-41175.117160.3000113.5C83 C90 W92 Q98 L99 Q100 S104 T105 C106C83-H102 PolarHBondContact SG-NE2 3.02Å; C90-H102 VanDerWaalsContact SG-CE1 3.55Å; C90-H102 PolarHBondContact SG-NE2 3.18Å; C90-H102 VanDerWaalsContact SG-NE2 3.39Å; W92-H102 WeakPolarHBondContact CB-CE1 3.49Å; W92-H102 AromaticContact CD1-CE1 3.97Å; W92-H102 AromaticContact CD1-CG 3.87Å; W92-H102 AromaticContact CD1-ND1 3.44Å; W92-H102 HydrophobicContact CD2-CB 3.75Å; W92-H102 AromaticContact CD2-CD2 3.61Å; W92-H102 AromaticContact CD2-CG 3.37Å; W92-H102 AromaticContact CD2-ND1 3.7Å; W92-H102 AromaticContact CE2-CG 3.67Å; W92-H102 HydrophobicContact CE3-CB 4.16Å; W92-H102 AromaticContact CE3-CD2 3.59Å; W92-H102 AromaticContact CE3-CG 3.79Å; W92-H102 HydrophobicContact CG-CB 4.26Å; W92-H102 AromaticContact CG-CD2 3.85Å; W92-H102 AromaticContact CG-CE1 3.46Å; W92-H102 VanDerWaalsContact CG-CE1 3.46Å; W92-H102 AromaticContact CG-CG 3.53Å; W92-H102 AromaticContact CG-ND1 3.28Å; W92-H102 VanDerWaalsContact CG-ND1 3.28Å; W92-H102 AromaticContact CG-NE2 3.82Å; W92-H102 HydrophobicContact CH2-CB 4.13Å; W92-H102 HydrophobicContact CZ2-CB 3.71Å; W92-H102 HydrophobicContact CZ3-CB 4.34Å; W92-H102 AromaticContact NE1-CG 3.93Å; W92-H102 AromaticContact NE1-ND1 3.89Å; Q98-H102 PolarHBondContact O-N 2.95Å; L99-H102 WeakPolarHBondContact O-CB 3.49Å; L99-H102 PolarHBondContact O-N 3.01Å; Q100-H102 VanDerWaalsContact C-N 3.32Å; Q100-H102 PolarHBondContact O-N 3.12Å; H102-S104 PolarHBondContact O-N 2.92Å; H102-S104 VanDerWaalsContact O-N 3.1Å; H102-T105 CarbonylContact O-C 3.59Å; H102-T105 PolarHBondContact O-N 2.86Å; H102-T105 PolarHBondContact O-OG1 3.08Å; H102-C106 VanDerWaalsContact CE1-CB 3.46Å; H102-C106 WeakPolarHBondContact CE1-CB 3.48Å; H102-C106 WeakPolarHBondContact NE2-CB 3.34Å; H102-C106 WeakPolarHBondContact O-CB 3.15Å; H102-C106 PolarHBondContact O-N 2.62Å
103F87.4Confident89Confident53 Ų5356.4 Ų56.423%0.23232%0.32CS..Hα-helixtrans-57.7-28.6179-73.5-43000113.3I84 L99 Q100 T105 N109I84-F103 HydrophobicContact CD1-CE1 3.81Å; I84-F103 HydrophobicContact CD1-CZ 3.81Å; I84-F103 HydrophobicContact CG1-CE1 3.91Å; I84-F103 HydrophobicContact CG1-CZ 4.14Å; L99-F103 HydrophobicContact CD1-CE1 4.32Å; L99-F103 HydrophobicContact CD1-CE2 4.2Å; L99-F103 HydrophobicContact CD1-CZ 3.92Å; L99-F103 HydrophobicContact CD2-CE2 3.99Å; L99-F103 HydrophobicContact CD2-CZ 4.11Å; L99-F103 HydrophobicContact CG-CD2 4.3Å; L99-F103 HydrophobicContact CG-CE2 3.7Å; L99-F103 HydrophobicContact CG-CZ 3.91Å; L99-F103 PolarHBondContact O-N 3.16Å; Q100-F103 PolarHBondContact O-N 3.35Å; F103-T105 VanDerWaalsContact C-N 3.26Å; F103-T105 PolarHBondContact O-N 2.82Å; F103-N109 PolarHBondContact O-ND2 2.66Å
104S84.6Confident89Confident70 Ų7057 Ų5749%0.4933%0.325SS..Hα-helixtrans-65.9-25.8174.676.60000113.7G101 H102 R123G101-S104 PolarHBondContact O-N 2.87Å; G101-S104 PolarHBondContact O-OG 2.63Å; H102-S104 PolarHBondContact O-N 2.92Å; H102-S104 VanDerWaalsContact O-N 3.1Å; S104-R123 PolarHBondContact O-NE 3.43Å; S104-R123 PolarHBondContact O-NH2 3.45Å
105T88.1Confident88.8Confident100 Ų10059.3 Ų59.361%0.61333%0.334SS*.Hα-helixtrans-117.6-10.6-174.453.50000114.1H102 F103 A107H102-T105 CarbonylContact O-C 3.59Å; H102-T105 PolarHBondContact O-N 2.86Å; H102-T105 PolarHBondContact O-OG1 3.08Å; F103-T105 VanDerWaalsContact C-N 3.26Å; F103-T105 PolarHBondContact O-N 2.82Å; T105-A107 PolarHBondContact O-N 3.23Å
106C90.9Very high88.5Confident2 Ų266.2 Ų66.21%0.01436%0.357CS..  trans-60.4123.7-179.7-178.10000111.4H102 F108 N109H102-C106 VanDerWaalsContact CE1-CB 3.46Å; H102-C106 WeakPolarHBondContact CE1-CB 3.48Å; H102-C106 WeakPolarHBondContact NE2-CB 3.34Å; H102-C106 WeakPolarHBondContact O-CB 3.15Å; H102-C106 PolarHBondContact O-N 2.62Å; C106-F108 PolarHBondContact O-N 3.18Å; C106-N109 HydrophobicContact CB-CB 3.91Å; C106-N109 PolarHBondContact O-N 2.9Å
107A89.1Confident88.5Confident42 Ų4266.6 Ų66.635%0.34736%0.361SS..THydrogen-bonded Turntrans-62.8-28.7179.100000113.3T105 R123 R124T105-A107 PolarHBondContact O-N 3.23Å; A107-R123 PolarHBondContact O-N 2.95Å; A107-R123 VanDerWaalsContact O-N 3.14Å; A107-R124 HydrophobicContact CB-CB 4.38Å; A107-R124 PolarHBondContact O-N 3.1Å
108F90.7Very high88.5Confident41 Ų4166.1 Ų66.118%0.1837%0.374CS..THydrogen-bonded Turntrans-92.1-7.5-178.1-60.8-85.8000113.2H85 E88 G89 C90 C106 V110H85-F108 HydrophobicContact CB-CB 3.75Å; H85-F108 HydrophobicContact CB-CG 4.47Å; E88-F108 HydrophobicContact CB-CD1 3.96Å; E88-F108 HydrophobicContact CB-CE1 4.4Å; E88-F108 HydrophobicContact CB-CG 4.48Å; E88-F108 WeakPolarHBondContact O-CE1 3.31Å; E88-F108 WeakPolarHBondContact O-CZ 2.81Å; G89-F108 VanDerWaalsContact C-CE2 3.49Å; C90-F108 HydrophobicContact CB-CD2 3.67Å; C90-F108 HydrophobicContact CB-CE2 4.16Å; C90-F108 HydrophobicContact CB-CG 4.47Å; C106-F108 PolarHBondContact O-N 3.18Å; F108-V110 PolarHBondContact O-N 2.91Å
109N90.3Very high88.4Confident39 Ų3964.7 Ų64.721%0.20937%0.372CS..SBendtrans-67.3134.1177-173.929.8000110.1F103 C106 R123F103-N109 PolarHBondContact O-ND2 2.66Å; C106-N109 HydrophobicContact CB-CB 3.91Å; C106-N109 PolarHBondContact O-N 2.9Å; N109-R123 PolarHBondContact O-N 3.14Å
110V89.9Confident88.6Confident79 Ų7972.1 Ų72.148%0.47940%0.404SS..EExtended strand (participates in β ladder)trans-83119.1-178.2176.90000109.3F108 K120 L121F108-V110 PolarHBondContact O-N 2.91Å; V110-K120 HydrophobicContact CG1-CB 3.67Å; V110-L121 CarbonylContact C-O 3.36Å; V110-L121 WeakPolarHBondContact CA-O 3.09Å
111I90.4Very high88.8Confident25 Ų2564.9 Ų64.913%0.12837%0.371CS..EExtended strand (participates in β ladder)trans-121.6147.3-178.859.2175.7000110.9L121 R123 L126I111-L121 PolarHBondContact N-O 3.4Å; I111-L121 PolarHBondContact O-N 3.23Å; I111-R123 HydrophobicContact CD1-CB 3.97Å; I111-R123 HydrophobicContact CD1-CG 4.17Å; I111-R123 HydrophobicContact CG1-CB 4.48Å; I111-L126 HydrophobicContact CD1-CD2 3.63Å; I111-L126 HydrophobicContact CG1-CD2 4.43Å
112P90.7Very high89Confident96 Ų9664.2 Ų64.262%0.62336%0.357SS*.EExtended strand (participates in β ladder)trans-69.4146.8171.329.8-33.8000110.4
113C89.4Confident89Confident5 Ų568.4 Ų68.43%0.03437%0.372CS..  trans-60.8132.2175.3178.60000111.6N115 R116 C117C113-N115 PolarHBondContact O-N 3.4Å; C113-R116 WeakPolarHBondContact O-CA 3.4Å; C113-R116 PolarHBondContact O-N 3.03Å; C113-C117 HydrophobicContact CB-CB 4.46Å; C113-C117 WeakPolarHBondContact CB-SG 3.44Å; C113-C117 VanDerWaalsContact SG-SG 3.67Å
114P89.5Confident89.1Confident86 Ų8674.3 Ų74.356%0.55839%0.393SS*.THydrogen-bonded Turntrans-57.7-30.4176.9-2634.5000114R116 L126P114-R116 PolarHBondContact O-N 3.01Å; P114-L126 HydrophobicContact CG-CD2 4.19Å
115N86.3Confident89.3Confident63 Ų6374.9 Ų74.934%0.33739%0.391SS..THydrogen-bonded Turntrans-76.24.2176-64.8-18.7000113C113 C117 L130 K136C113-N115 PolarHBondContact O-N 3.4Å; N115-C117 VanDerWaalsContact C-N 3.28Å; N115-C117 PolarHBondContact O-N 2.97Å; N115-L130 WeakPolarHBondContact ND2-CD2 3.43Å; N115-K136 HydrophobicContact CB-CB 3.99Å; N115-K136 VanDerWaalsContact O-CD 3.26Å; N115-K136 WeakPolarHBondContact O-CD 3.34Å
116R85.7Confident89.4Confident211 Ų21171 Ų7180%0.79637%0.366SS*.  trans53.144.4-179.8-54.5-177.3-179.4-168.8-0.3112.1C113 P114 K136C113-R116 WeakPolarHBondContact O-CA 3.4Å; C113-R116 PolarHBondContact O-N 3.03Å; P114-R116 PolarHBondContact O-N 3.01Å; R116-K136 PolarHBondContact O-NZ 2.96Å
117C87.9Confident89.4Confident19 Ų1974.8 Ų74.813%0.12839%0.391CS..  trans-75.317216379.90000109.6C113 N115 V119 H129C113-C117 HydrophobicContact CB-CB 4.46Å; C113-C117 WeakPolarHBondContact CB-SG 3.44Å; C113-C117 VanDerWaalsContact SG-SG 3.67Å; N115-C117 VanDerWaalsContact C-N 3.28Å; N115-C117 PolarHBondContact O-N 2.97Å; C117-V119 VanDerWaalsContact C-N 3.25Å; C117-V119 PolarHBondContact O-N 3.49Å; C117-V119 PolarHBondContact SG-N 3.2Å; C117-H129 PolarHBondContact SG-NE2 3.09Å
118S86.7Confident89.5Confident124 Ų12477.8 Ų77.887%0.86740%0.401SS*.SBendtrans-75.5-10.2-178.447.50000114.2
119V88.4Confident89.6Confident65 Ų6576.5 Ų76.539%0.39440%0.395SS..  trans-91.7136.6-169.8-157.50000111C117 L121C117-V119 VanDerWaalsContact C-N 3.25Å; C117-V119 PolarHBondContact O-N 3.49Å; C117-V119 PolarHBondContact SG-N 3.2Å; V119-L121 HydrophobicContact CB-CD2 3.58Å; V119-L121 HydrophobicContact CG1-CD2 3.26Å
120K90.6Very high89.5Confident161 Ų16177.3 Ų77.370%0.740%0.399SS*.EExtended strand (participates in β ladder)trans-107.5130.3170.1-62.5-178.7-173.1178.40108.3V110V110-K120 HydrophobicContact CG1-CB 3.67Å
121L91.1Very high89.4Confident19 Ų1979.6 Ų79.610%0.09941%0.405CS..EExtended strand (participates in β ladder)trans-135.3161.5-171.9-0.8156.5000109.6V110 I111 V119 L126 H129V110-L121 CarbonylContact C-O 3.36Å; V110-L121 WeakPolarHBondContact CA-O 3.09Å; I111-L121 PolarHBondContact N-O 3.4Å; I111-L121 PolarHBondContact O-N 3.23Å; V119-L121 HydrophobicContact CB-CD2 3.58Å; V119-L121 HydrophobicContact CG1-CD2 3.26Å; L121-L126 HydrophobicContact CD1-CB 4.2Å; L121-L126 HydrophobicContact CD1-CD1 3.6Å; L121-H129 HydrophobicContact CD1-CB 3.43Å; L121-H129 VanDerWaalsContact CD1-CB 3.43Å; L121-H129 VanDerWaalsContact CD1-CG 3.49Å
122T91Very high89.2Confident32 Ų3283.5 Ų83.520%0.19642%0.422CS..EExtended strand (participates in β ladder)trans-65.5151.3167.8780000109.9R124 D125 L126T122-R124 PolarHBondContact O-N 3.11Å; T122-D125 PolarHBondContact O-N 2.91Å; T122-D125 VanDerWaalsContact O-N 3.14Å; T122-D125 PolarHBondContact OG1-N 2.94Å; T122-D125 PolarHBondContact OG1-OD2 3.02Å; T122-L126 PolarHBondContact O-N 2.8Å
123R89.6Confident89.1Confident105 Ų10584 Ų8440%0.39642%0.42SS..THydrogen-bonded Turntrans-57.6-29.8175.6178.9178.1-74.1-87.32.3112.5S104 A107 N109 I111S104-R123 PolarHBondContact O-NE 3.43Å; S104-R123 PolarHBondContact O-NH2 3.45Å; A107-R123 PolarHBondContact O-N 2.95Å; A107-R123 VanDerWaalsContact O-N 3.14Å; N109-R123 PolarHBondContact O-N 3.14Å; I111-R123 HydrophobicContact CD1-CB 3.97Å; I111-R123 HydrophobicContact CD1-CG 4.17Å; I111-R123 HydrophobicContact CG1-CB 4.48Å
124R89.7Confident89.2Confident176 Ų17683.8 Ų83.866%0.66442%0.418SS*.THydrogen-bonded Turntrans-64.2-41.8175.9179-177.1172.1-175.6-4.1112.8A107 T122 L126 P127A107-R124 HydrophobicContact CB-CB 4.38Å; A107-R124 PolarHBondContact O-N 3.1Å; T122-R124 PolarHBondContact O-N 3.11Å; R124-L126 VanDerWaalsContact C-N 3.33Å; R124-P127 VanDerWaalsContact O-CD 3.28Å; R124-P127 WeakPolarHBondContact O-CD 3.05Å
125D90.4Very high89.2Confident82 Ų8282.3 Ų82.344%0.43941%0.409SS..THydrogen-bonded Turntrans-86.7-9-174.1-52-38.8000112.6T122 D128 H129T122-D125 PolarHBondContact O-N 2.91Å; T122-D125 VanDerWaalsContact O-N 3.14Å; T122-D125 PolarHBondContact OG1-N 2.94Å; T122-D125 PolarHBondContact OG1-OD2 3.02Å; D125-D128 PolarHBondContact O-N 3.04Å; D125-H129 PolarHBondContact O-N 2.88Å; D125-H129 VanDerWaalsContact O-N 3.12Å
126L89.8Confident89.3Confident19 Ų1984.3 Ų84.310%0.09941%0.414CS..Hα-helixtrans-59.2-41.5-178.4-178.164.2000114.8I111 P114 L121 T122 R124 H129 L130I111-L126 HydrophobicContact CD1-CD2 3.63Å; I111-L126 HydrophobicContact CG1-CD2 4.43Å; P114-L126 HydrophobicContact CG-CD2 4.19Å; L121-L126 HydrophobicContact CD1-CB 4.2Å; L121-L126 HydrophobicContact CD1-CD1 3.6Å; T122-L126 PolarHBondContact O-N 2.8Å; R124-L126 VanDerWaalsContact C-N 3.33Å; L126-H129 PolarHBondContact O-N 2.91Å; L126-L130 HydrophobicContact CD1-CD1 4.04Å; L126-L130 HydrophobicContact CD1-CD2 4.35Å; L126-L130 HydrophobicContact CD1-CG 3.9Å; L126-L130 HydrophobicContact CD2-CD1 4.48Å; L126-L130 HydrophobicContact CG-CD1 3.93Å; L126-L130 HydrophobicContact CG-CG 4.23Å; L126-L130 VanDerWaalsContact O-CG 3.28Å; L126-L130 WeakPolarHBondContact O-CG 3.46Å; L126-L130 PolarHBondContact O-N 3.36Å
127P90.3Very high89.6Confident81 Ų8176 Ų7653%0.52638%0.383SS..Hα-helixtrans-59.7-48.6178-24.636.1000113.1R124 H129 L130 Q131R124-P127 VanDerWaalsContact O-CD 3.28Å; R124-P127 WeakPolarHBondContact O-CD 3.05Å; P127-H129 PolarHBondContact O-N 2.9Å; P127-L130 PolarHBondContact O-N 2.97Å; P127-Q131 WeakPolarHBondContact O-CB 3.43Å; P127-Q131 PolarHBondContact O-N 3.16Å
128D91.8Very high89.7Confident105 Ų10583.3 Ų83.356%0.56141%0.413SS*.Hα-helixtrans-61.1-45.6178.2-96.423.2000111D125 L130 Q131 H132D125-D128 PolarHBondContact O-N 3.04Å; D128-L130 PolarHBondContact O-N 2.94Å; D128-Q131 PolarHBondContact O-N 3.34Å; D128-H132 PolarHBondContact O-N 2.9Å
129H91.3Very high90Very high14 Ų1479 Ų797%0.06538%0.381CS..Iπ-helixtrans-57.3-47175.4173.278.1000111.9C117 L121 D125 L126 P127 Q131 D133 C134C117-H129 PolarHBondContact SG-NE2 3.09Å; L121-H129 HydrophobicContact CD1-CB 3.43Å; L121-H129 VanDerWaalsContact CD1-CB 3.43Å; L121-H129 VanDerWaalsContact CD1-CG 3.49Å; D125-H129 PolarHBondContact O-N 2.88Å; D125-H129 VanDerWaalsContact O-N 3.12Å; L126-H129 PolarHBondContact O-N 2.91Å; P127-H129 PolarHBondContact O-N 2.9Å; H129-Q131 PolarHBondContact O-N 3.33Å; H129-D133 PolarHBondContact O-N 3.04Å; H129-D133 VanDerWaalsContact O-N 3.08Å; H129-C134 VanDerWaalsContact CE1-CA 3.49Å; H129-C134 WeakPolarHBondContact CE1-CA 3.34Å; H129-C134 VanDerWaalsContact NE2-CB 3.3Å; H129-C134 WeakPolarHBondContact NE2-CB 3.44Å; H129-C134 PolarHBondContact NE2-SG 3.04Å; H129-C134 VanDerWaalsContact NE2-SG 3.42Å; H129-C134 WeakPolarHBondContact O-CA 3.24Å; H129-C134 WeakPolarHBondContact O-CB 3.25Å; H129-C134 PolarHBondContact O-N 3.32Å
130L89.3Confident90.2Very high56 Ų5682.8 Ų82.829%0.29339%0.392SS..Iπ-helixtrans-65.2-30.5-178.9-71.4175.7000112.8N115 L126 P127 D128 R137N115-L130 WeakPolarHBondContact ND2-CD2 3.43Å; L126-L130 HydrophobicContact CD1-CD1 4.04Å; L126-L130 HydrophobicContact CD1-CD2 4.35Å; L126-L130 HydrophobicContact CD1-CG 3.9Å; L126-L130 HydrophobicContact CD2-CD1 4.48Å; L126-L130 HydrophobicContact CG-CD1 3.93Å; L126-L130 HydrophobicContact CG-CG 4.23Å; L126-L130 VanDerWaalsContact O-CG 3.28Å; L126-L130 WeakPolarHBondContact O-CG 3.46Å; L126-L130 PolarHBondContact O-N 3.36Å; P127-L130 PolarHBondContact O-N 2.97Å; D128-L130 PolarHBondContact O-N 2.94Å; L130-R137 WeakPolarHBondContact O-CB 3.49Å
131Q87.7Confident90.3Very high127 Ų12775.2 Ų75.259%0.59336%0.36SS*.Iπ-helixtrans-81.5-42.6-178.1-169.7175-8.600112.8P127 D128 H129 R137P127-Q131 WeakPolarHBondContact O-CB 3.43Å; P127-Q131 PolarHBondContact O-N 3.16Å; D128-Q131 PolarHBondContact O-N 3.34Å; H129-Q131 PolarHBondContact O-N 3.33Å; Q131-R137 WeakPolarHBondContact O-CD 3.33Å
132H86.4Confident90.3Very high107 Ų10782.6 Ų82.650%0.49539%0.393SS..Iπ-helixtrans-120-40.7-167.4-63.3-61.6000114D128 R137D128-H132 PolarHBondContact O-N 2.9Å; H132-R137 PolarHBondContact O-NH1 3.43Å
133D88.2Confident90.3Very high108 Ų10885.7 Ų85.758%0.57840%0.404SS*.Iπ-helixtrans-101.6-24.4-166-53.3-42000114.1H129 P135H129-D133 PolarHBondContact O-N 3.04Å; H129-D133 VanDerWaalsContact O-N 3.08Å; D133-P135 WeakPolarHBondContact O-CD 3.37Å; D133-P135 VanDerWaalsContact O-N 3.16Å
134C91.1Very high90.4Very high0 Ų081.9 Ų81.90%039%0.394CS..  trans-66.2118.8-170.9-174.50000109.5H129 K136 R137H129-C134 VanDerWaalsContact CE1-CA 3.49Å; H129-C134 WeakPolarHBondContact CE1-CA 3.34Å; H129-C134 VanDerWaalsContact NE2-CB 3.3Å; H129-C134 WeakPolarHBondContact NE2-CB 3.44Å; H129-C134 PolarHBondContact NE2-SG 3.04Å; H129-C134 VanDerWaalsContact NE2-SG 3.42Å; H129-C134 WeakPolarHBondContact O-CA 3.24Å; H129-C134 WeakPolarHBondContact O-CB 3.25Å; H129-C134 PolarHBondContact O-N 3.32Å; C134-K136 PolarHBondContact O-N 3.44Å; C134-K136 VanDerWaalsContact O-N 3.12Å; C134-R137 HydrophobicContact CB-CB 4.07Å; C134-R137 WeakPolarHBondContact O-CB 3.46Å; C134-R137 WeakPolarHBondContact O-CD 3.43Å; C134-R137 WeakPolarHBondContact O-CG 3.23Å; C134-R137 PolarHBondContact O-N 2.96Å; C134-R137 PolarHBondContact O-NH1 3.1Å; C134-R137 VanDerWaalsContact O-NH1 3.11Å
135P89.4Confident90.4Very high54 Ų5475.2 Ų75.235%0.35138%0.379SS..THydrogen-bonded Turntrans-62.7-24.6179.1-23.634.5000112.3D133 G150 E151D133-P135 WeakPolarHBondContact O-CD 3.37Å; D133-P135 VanDerWaalsContact O-N 3.16Å; P135-G150 WeakPolarHBondContact O-CA 3.25Å; P135-G150 PolarHBondContact O-N 3.44Å; P135-E151 HydrophobicContact CB-CB 4.38Å; P135-E151 PolarHBondContact O-N 2.87Å
136K90.1Very high90.5Very high106 Ų10674 Ų7446%0.46138%0.378SS..THydrogen-bonded Turntrans-98.911.5179.2-61.6-175.2178.5-178.10113.2N115 R116 C134N115-K136 HydrophobicContact CB-CB 3.99Å; N115-K136 VanDerWaalsContact O-CD 3.26Å; N115-K136 WeakPolarHBondContact O-CD 3.34Å; R116-K136 PolarHBondContact O-NZ 2.96Å; C134-K136 PolarHBondContact O-N 3.44Å; C134-K136 VanDerWaalsContact O-N 3.12Å
137R91.8Very high90.6Very high36 Ų3679.9 Ų79.914%0.13640%0.404CS..  trans-60148.7170.271.4-168.8179-91.62.3109.8L130 Q131 H132 C134 V139 T149 G150 E154L130-R137 WeakPolarHBondContact O-CB 3.49Å; Q131-R137 WeakPolarHBondContact O-CD 3.33Å; H132-R137 PolarHBondContact O-NH1 3.43Å; C134-R137 HydrophobicContact CB-CB 4.07Å; C134-R137 WeakPolarHBondContact O-CB 3.46Å; C134-R137 WeakPolarHBondContact O-CD 3.43Å; C134-R137 WeakPolarHBondContact O-CG 3.23Å; C134-R137 PolarHBondContact O-N 2.96Å; C134-R137 PolarHBondContact O-NH1 3.1Å; C134-R137 VanDerWaalsContact O-NH1 3.11Å; R137-V139 HydrophobicContact CG-CG2 3.75Å; R137-T149 CarbonylContact O-C 3.41Å; R137-T149 VanDerWaalsContact O-C 3.32Å; R137-T149 WeakPolarHBondContact O-CA 3.49Å; R137-G150 PolarHBondContact O-N 3.02Å; R137-E154 IonicContact NH2-OE1 3.98Å; R137-E154 PolarHBondContact NH2-OE1 3.11Å
138K90.2Very high90.6Very high173 Ų17378.5 Ų78.575%0.75239%0.39SS*.EExtended strand (participates in β ladder)trans-90121.8174.3-67.2-172.5176.7-1710109.3F148K138-F148 WeakPolarHBondContact CA-O 3.5Å
139V91.5Very high90.7Very high32 Ų3276.5 Ų76.519%0.19438%0.382CS..EExtended strand (participates in β ladder)trans-120.8131.7177.1-171.30000108.8R137 E147 F148 Y153R137-V139 HydrophobicContact CG-CG2 3.75Å; V139-E147 WeakPolarHBondContact O-CA 3.45Å; V139-F148 PolarHBondContact N-O 3.11Å; V139-F148 PolarHBondContact O-N 2.86Å; V139-Y153 HydrophobicContact CB-CD1 4.31Å; V139-Y153 HydrophobicContact CB-CD2 4.17Å; V139-Y153 HydrophobicContact CB-CG 3.91Å; V139-Y153 HydrophobicContact CG1-CD1 3.74Å; V139-Y153 HydrophobicContact CG1-CD2 3.81Å; V139-Y153 HydrophobicContact CG1-CE1 3.88Å; V139-Y153 HydrophobicContact CG1-CE2 3.96Å; V139-Y153 HydrophobicContact CG1-CG 3.69Å; V139-Y153 HydrophobicContact CG2-CG 4.49Å
140K92.4Very high90.6Very high145 Ų14575.8 Ų75.863%0.6338%0.379SS*.EExtended strand (participates in β ladder)trans-99128.3174.6-172.4177.7179.91800109.2G145 S146K140-G145 WeakPolarHBondContact CE-O 3.5Å; K140-G145 WeakPolarHBondContact CG-O 3.31Å; K140-S146 WeakPolarHBondContact CA-O 3.43Å
141C92.9Very high90.5Very high3 Ų379 Ų792%0.0239%0.392CS..  trans-72130.5175.1-179.70000111.1F143 C144 G145 S146 F148 Y153 H156C141-F143 VanDerWaalsContact C-N 3.25Å; C141-F143 PolarHBondContact O-N 2.92Å; C141-F143 PolarHBondContact SG-N 2.81Å; C141-C144 VanDerWaalsContact CB-SG 3.51Å; C141-C144 VanDerWaalsContact SG-SG 3.67Å; C141-G145 WeakPolarHBondContact O-CA 3.5Å; C141-G145 PolarHBondContact O-N 2.98Å; C141-S146 PolarHBondContact N-O 3.37Å; C141-F148 HydrophobicContact CB-CD2 4.37Å; C141-F148 HydrophobicContact CB-CE2 3.93Å; C141-Y153 HydrophobicContact CB-CE2 3.94Å; C141-H156 PolarHBondContact SG-NE2 2.92Å
142E91.6Very high90.6Very high173 Ų17374.8 Ų74.881%0.80838%0.379SS*.THydrogen-bonded Turntrans-68.4-24.4179.6-61.1-175.3159.900113
143F91.9Very high90.9Very high98 Ų9871.8 Ų71.843%0.4336%0.363SS..THydrogen-bonded Turntrans-89.7-50.2-177.6-50.9-64.4000112.7C141 C160 Q162 E163C141-F143 VanDerWaalsContact C-N 3.25Å; C141-F143 PolarHBondContact O-N 2.92Å; C141-F143 PolarHBondContact SG-N 2.81Å; F143-C160 HydrophobicContact CD2-CB 4.27Å; F143-Q162 HydrophobicContact CB-CB 4.46Å; F143-Q162 PolarHBondContact O-OE1 3.28Å; F143-E163 HydrophobicContact CB-CB 4.42Å; F143-E163 HydrophobicContact CD1-CB 4.38Å; F143-E163 HydrophobicContact CD1-CG 4.33Å; F143-E163 HydrophobicContact CD2-CB 4Å; F143-E163 HydrophobicContact CD2-CG 4.13Å; F143-E163 HydrophobicContact CE1-CG 4.19Å; F143-E163 HydrophobicContact CE2-CB 4.36Å; F143-E163 HydrophobicContact CE2-CG 3.99Å; F143-E163 HydrophobicContact CG-CB 4Å; F143-E163 HydrophobicContact CG-CG 4.3Å; F143-E163 HydrophobicContact CZ-CG 4.02Å
144C91.2Very high90.9Very high25 Ų2572 Ų7217%0.16936%0.361CS..THydrogen-bonded Turntrans-98.6-10.2-177.769.60000114.9C141 S146 Q162C141-C144 VanDerWaalsContact CB-SG 3.51Å; C141-C144 VanDerWaalsContact SG-SG 3.67Å; C144-S146 PolarHBondContact O-N 2.94Å; C144-S146 VanDerWaalsContact O-N 3.08Å; C144-S146 PolarHBondContact SG-OG 2.88Å; C144-Q162 HydrophobicContact CB-CB 4.21Å; C144-Q162 HydrophobicContact CB-CG 4.03Å
145G90.3Very high90.8Very high35 Ų3577.9 Ų77.936%0.36139%0.393SS..  trans69.4-1.4-178.800000115.3K140 C141K140-G145 WeakPolarHBondContact CE-O 3.5Å; K140-G145 WeakPolarHBondContact CG-O 3.31Å; C141-G145 WeakPolarHBondContact O-CA 3.5Å; C141-G145 PolarHBondContact O-N 2.98Å
146S90.6Very high90.9Very high58 Ų5876.5 Ų76.541%0.40638%0.381SS..  trans-72.2147.5178.3-51.30000111.6K140 C141 C144 F148K140-S146 WeakPolarHBondContact CA-O 3.43Å; C141-S146 PolarHBondContact N-O 3.37Å; C144-S146 PolarHBondContact O-N 2.94Å; C144-S146 VanDerWaalsContact O-N 3.08Å; C144-S146 PolarHBondContact SG-OG 2.88Å; S146-F148 WeakPolarHBondContact O-CD2 3.44Å; S146-F148 WeakPolarHBondContact O-CE2 3.26Å
147E92.5Very high90.7Very high142 Ų14277.8 Ų77.866%0.66439%0.389SS*.EExtended strand (participates in β ladder)trans-92.8136.3176.2-66-1769300110.9V139V139-E147 WeakPolarHBondContact O-CA 3.45Å
148F91.2Very high90.4Very high51 Ų5177.9 Ų77.922%0.22440%0.401CS..EExtended strand (participates in β ladder)trans-131.4159.1-179.1-62.2-85.5000110.6K138 V139 C141 S146 A152 Y153 H156K138-F148 WeakPolarHBondContact CA-O 3.5Å; V139-F148 PolarHBondContact N-O 3.11Å; V139-F148 PolarHBondContact O-N 2.86Å; C141-F148 HydrophobicContact CB-CD2 4.37Å; C141-F148 HydrophobicContact CB-CE2 3.93Å; S146-F148 WeakPolarHBondContact O-CD2 3.44Å; S146-F148 WeakPolarHBondContact O-CE2 3.26Å; F148-A152 HydrophobicContact CB-CB 4.26Å; F148-A152 HydrophobicContact CD1-CB 4.27Å; F148-Y153 HydrophobicContact CB-CD2 4.4Å; F148-Y153 AromaticContact CD2-CD2 4Å; F148-Y153 HydrophobicContact CD2-CD2 4Å; F148-Y153 HydrophobicContact CG-CD2 4.45Å; F148-H156 HydrophobicContact CE1-CB 4.42Å; F148-H156 AromaticContact CE2-CD2 3.79Å; F148-H156 AromaticContact CE2-NE2 3.9Å; F148-H156 HydrophobicContact CZ-CB 4.43Å; F148-H156 AromaticContact CZ-CD2 3.99Å; F148-H156 AromaticContact CZ-CE1 3.78Å; F148-H156 AromaticContact CZ-CG 3.79Å; F148-H156 AromaticContact CZ-ND1 3.67Å; F148-H156 AromaticContact CZ-NE2 3.99Å
149T92.4Very high90.5Very high63 Ų6373.8 Ų73.839%0.38739%0.39SS..EExtended strand (participates in β ladder)trans-71.7158.1159.858.90000109.6R137 E151 A152 Y153R137-T149 CarbonylContact O-C 3.41Å; R137-T149 VanDerWaalsContact O-C 3.32Å; R137-T149 WeakPolarHBondContact O-CA 3.49Å; T149-E151 VanDerWaalsContact C-N 3.29Å; T149-E151 PolarHBondContact O-N 3.08Å; T149-A152 PolarHBondContact O-N 2.76Å; T149-A152 VanDerWaalsContact O-N 3.12Å; T149-A152 VanDerWaalsContact OG1-CB 3.23Å; T149-A152 WeakPolarHBondContact OG1-CB 3.41Å; T149-A152 PolarHBondContact OG1-N 2.83Å; T149-Y153 WeakPolarHBondContact O-CB 3.23Å; T149-Y153 PolarHBondContact O-N 3.28Å
150G89.1Confident90.5Very high0 Ų072.3 Ų72.30%038%0.382CS..Hα-helixtrans-50.3-48.5175.900000112.8P135 R137 Y153 E154P135-G150 WeakPolarHBondContact O-CA 3.25Å; P135-G150 PolarHBondContact O-N 3.44Å; R137-G150 PolarHBondContact O-N 3.02Å; G150-Y153 PolarHBondContact O-N 3.2Å; G150-E154 PolarHBondContact O-N 3.35Å; G150-E154 VanDerWaalsContact O-N 3.11Å
151E88.8Confident90.5Very high123 Ų12368.4 Ų68.458%0.57537%0.371SS*.Hα-helixtrans-62.8-41.8177.1-178.8-179-165.200113P135 T149 Y153 N155P135-E151 HydrophobicContact CB-CB 4.38Å; P135-E151 PolarHBondContact O-N 2.87Å; T149-E151 VanDerWaalsContact C-N 3.29Å; T149-E151 PolarHBondContact O-N 3.08Å; E151-Y153 VanDerWaalsContact C-N 3.32Å; E151-N155 PolarHBondContact O-ND2 3.49Å
152A90.1Very high90.4Very high38 Ų3872.9 Ų72.931%0.31439%0.392SS..Hα-helixtrans-70.4-31.9177.500000111.9F148 T149 N155 H156F148-A152 HydrophobicContact CB-CB 4.26Å; F148-A152 HydrophobicContact CD1-CB 4.27Å; T149-A152 PolarHBondContact O-N 2.76Å; T149-A152 VanDerWaalsContact O-N 3.12Å; T149-A152 VanDerWaalsContact OG1-CB 3.23Å; T149-A152 WeakPolarHBondContact OG1-CB 3.41Å; T149-A152 PolarHBondContact OG1-N 2.83Å; A152-N155 PolarHBondContact O-N 2.97Å; A152-H156 PolarHBondContact O-N 3.47Å; A152-H156 VanDerWaalsContact O-N 3.08Å
153Y91.1Very high90.5Very high44 Ų4466.5 Ų66.517%0.17336%0.362CS..Hα-helixtrans-69.7-38.7178.7-173.6-102.3000112.2V139 C141 F148 T149 G150 E151 N155 H156 Q157V139-Y153 HydrophobicContact CB-CD1 4.31Å; V139-Y153 HydrophobicContact CB-CD2 4.17Å; V139-Y153 HydrophobicContact CB-CG 3.91Å; V139-Y153 HydrophobicContact CG1-CD1 3.74Å; V139-Y153 HydrophobicContact CG1-CD2 3.81Å; V139-Y153 HydrophobicContact CG1-CE1 3.88Å; V139-Y153 HydrophobicContact CG1-CE2 3.96Å; V139-Y153 HydrophobicContact CG1-CG 3.69Å; V139-Y153 HydrophobicContact CG2-CG 4.49Å; C141-Y153 HydrophobicContact CB-CE2 3.94Å; F148-Y153 HydrophobicContact CB-CD2 4.4Å; F148-Y153 AromaticContact CD2-CD2 4Å; F148-Y153 HydrophobicContact CD2-CD2 4Å; F148-Y153 HydrophobicContact CG-CD2 4.45Å; T149-Y153 WeakPolarHBondContact O-CB 3.23Å; T149-Y153 PolarHBondContact O-N 3.28Å; G150-Y153 PolarHBondContact O-N 3.2Å; E151-Y153 VanDerWaalsContact C-N 3.32Å; Y153-N155 PolarHBondContact O-N 2.69Å; Y153-H156 CarbonylContact O-C 3.58Å; Y153-H156 WeakPolarHBondContact O-CA 3.47Å; Y153-H156 WeakPolarHBondContact O-CB 3.48Å; Y153-H156 PolarHBondContact O-N 3.23Å; Y153-Q157 PolarHBondContact O-N 3.49Å
154E88.8Confident90.5Very high114 Ų11464.9 Ų64.953%0.53336%0.363SS..Hα-helixtrans-58.2-39.1174.3-74.8167.8-159.900111.6R137 G150R137-E154 IonicContact NH2-OE1 3.98Å; R137-E154 PolarHBondContact NH2-OE1 3.11Å; G150-E154 PolarHBondContact O-N 3.35Å; G150-E154 VanDerWaalsContact O-N 3.11Å
155N89.9Confident90.6Very high123 Ų12364.8 Ų64.866%0.65836%0.362SS*.Hα-helixtrans-73.8-24173.4-68.4-60.9000113.8E151 A152 Y153 V159E151-N155 PolarHBondContact O-ND2 3.49Å; A152-N155 PolarHBondContact O-N 2.97Å; Y153-N155 PolarHBondContact O-N 2.69Å; N155-V159 WeakPolarHBondContact O-CG2 3.21Å
156H90.7Very high90.8Very high24 Ų2470.6 Ų70.611%0.11137%0.374CS..Hα-helixtrans-82.6-26.2176.9-178.773.4000112.7C141 F148 A152 Y153 G158 V159 C160C141-H156 PolarHBondContact SG-NE2 2.92Å; F148-H156 HydrophobicContact CE1-CB 4.42Å; F148-H156 AromaticContact CE2-CD2 3.79Å; F148-H156 AromaticContact CE2-NE2 3.9Å; F148-H156 HydrophobicContact CZ-CB 4.43Å; F148-H156 AromaticContact CZ-CD2 3.99Å; F148-H156 AromaticContact CZ-CE1 3.78Å; F148-H156 AromaticContact CZ-CG 3.79Å; F148-H156 AromaticContact CZ-ND1 3.67Å; F148-H156 AromaticContact CZ-NE2 3.99Å; A152-H156 PolarHBondContact O-N 3.47Å; A152-H156 VanDerWaalsContact O-N 3.08Å; Y153-H156 CarbonylContact O-C 3.58Å; Y153-H156 WeakPolarHBondContact O-CA 3.47Å; Y153-H156 WeakPolarHBondContact O-CB 3.48Å; Y153-H156 PolarHBondContact O-N 3.23Å; H156-G158 PolarHBondContact O-N 3.34Å; H156-V159 WeakPolarHBondContact O-CG2 3.11Å; H156-V159 PolarHBondContact O-N 3.15Å; H156-V159 VanDerWaalsContact O-N 3.1Å; H156-C160 WeakPolarHBondContact NE2-CB 3.31Å; H156-C160 PolarHBondContact NE2-SG 3.43Å; H156-C160 PolarHBondContact O-N 3.4Å
157Q86.4Confident90.8Very high133 Ų13368.1 Ų68.162%0.62136%0.356SS*.THydrogen-bonded Turntrans-60.3128.1-178.3-168.1176.112.600110.4Y153 V159Y153-Q157 PolarHBondContact O-N 3.49Å; Q157-V159 PolarHBondContact O-N 3.08Å
158G85.6Confident90.7Very high39 Ų3968.6 Ų68.640%0.40236%0.359SS..THydrogen-bonded Turntrans76.7-0.7-178.200000115.7H156 R177H156-G158 PolarHBondContact O-N 3.34Å; G158-R177 PolarHBondContact O-NE 2.99Å; G158-R177 PolarHBondContact O-NH1 3.37Å; G158-R177 PolarHBondContact O-NH2 3.37Å
159V90.6Very high90.5Very high86 Ų8669 Ų6952%0.52136%0.363SS..THydrogen-bonded Turntrans-121.96.8175.1-60.50000113.3N155 H156 Q157 P161N155-V159 WeakPolarHBondContact O-CG2 3.21Å; H156-V159 WeakPolarHBondContact O-CG2 3.11Å; H156-V159 PolarHBondContact O-N 3.15Å; H156-V159 VanDerWaalsContact O-N 3.1Å; Q157-V159 PolarHBondContact O-N 3.08Å; V159-P161 WeakPolarHBondContact O-CD 3.42Å
160C92.8Very high90.2Very high2 Ų274.8 Ų74.81%0.01438%0.383CS..  trans-58.4122.6-178.1-175.20000111.7F143 H156 Q162 E163 R177F143-C160 HydrophobicContact CD2-CB 4.27Å; H156-C160 WeakPolarHBondContact NE2-CB 3.31Å; H156-C160 PolarHBondContact NE2-SG 3.43Å; H156-C160 PolarHBondContact O-N 3.4Å; C160-Q162 PolarHBondContact O-N 3.29Å; C160-Q162 VanDerWaalsContact O-N 3.15Å; C160-E163 HydrophobicContact CB-CB 4.04Å; C160-E163 WeakPolarHBondContact O-CB 3.49Å; C160-E163 PolarHBondContact O-N 3.45Å; C160-R177 WeakPolarHBondContact O-CB 3.38Å; C160-R177 WeakPolarHBondContact O-CD 3.5Å
161P91.6Very high90.2Very high63 Ų6376.3 Ų76.341%0.40939%0.393SS..THydrogen-bonded Turntrans-62.6-23.3-178.4-25.735.1000114.8V159 R177 R178V159-P161 WeakPolarHBondContact O-CD 3.42Å; P161-R177 PolarHBondContact O-N 2.93Å; P161-R178 HydrophobicContact CB-CB 4.07Å; P161-R178 PolarHBondContact O-N 3Å; P161-R178 VanDerWaalsContact O-N 3.1Å
162Q91.7Very high90.3Very high96 Ų9673.4 Ų73.445%0.44940%0.396SS..THydrogen-bonded Turntrans-96.3-9-177.4-60.4-166.111.900113.4F143 C144 C160 S164F143-Q162 HydrophobicContact CB-CB 4.46Å; F143-Q162 PolarHBondContact O-OE1 3.28Å; C144-Q162 HydrophobicContact CB-CB 4.21Å; C144-Q162 HydrophobicContact CB-CG 4.03Å; C160-Q162 PolarHBondContact O-N 3.29Å; C160-Q162 VanDerWaalsContact O-N 3.15Å; Q162-S164 PolarHBondContact O-N 3.14Å
163E92.8Very high90.3Very high40 Ų4073.1 Ų73.119%0.18739%0.394CS..SBendtrans-62135.6174-176.4-176.4-164.600110.2F143 C160 V165 M176 R177F143-E163 HydrophobicContact CB-CB 4.42Å; F143-E163 HydrophobicContact CD1-CB 4.38Å; F143-E163 HydrophobicContact CD1-CG 4.33Å; F143-E163 HydrophobicContact CD2-CB 4Å; F143-E163 HydrophobicContact CD2-CG 4.13Å; F143-E163 HydrophobicContact CE1-CG 4.19Å; F143-E163 HydrophobicContact CE2-CB 4.36Å; F143-E163 HydrophobicContact CE2-CG 3.99Å; F143-E163 HydrophobicContact CG-CB 4Å; F143-E163 HydrophobicContact CG-CG 4.3Å; F143-E163 HydrophobicContact CZ-CG 4.02Å; C160-E163 HydrophobicContact CB-CB 4.04Å; C160-E163 WeakPolarHBondContact O-CB 3.49Å; C160-E163 PolarHBondContact O-N 3.45Å; E163-V165 HydrophobicContact CG-CG1 4.04Å; E163-M176 CarbonylContact O-C 3.5Å; E163-M176 WeakPolarHBondContact O-CA 3.49Å; E163-R177 PolarHBondContact O-N 2.91Å; E163-R177 IonicContact OE2-CZ 3.41Å; E163-R177 IonicContact OE2-NE 2.74Å; E163-R177 IonicContact OE2-NH2 3.71Å; E163-R177 PolarHBondContact OE2-NH2 3.11Å
164S92.9Very high90.5Very high64 Ų6479 Ų7945%0.44842%0.416SS..EExtended strand (participates in β ladder)trans-87.3114.4178.3-164.80000110.1Q162 R174 M175Q162-S164 PolarHBondContact O-N 3.14Å; S164-R174 WeakPolarHBondContact OG-CG 3.28Å; S164-M175 CarbonylContact C-O 3.53Å; S164-M175 WeakPolarHBondContact CA-O 3.42Å
165V93.3Very high90.7Very high23 Ų2375 Ų7514%0.13940%0.397CS..EExtended strand (participates in β ladder)trans-123.3157.3-176.1-61.40000111.4E163 R174 M175 R177 L180E163-V165 HydrophobicContact CG-CG1 4.04Å; V165-R174 WeakPolarHBondContact O-CA 3.16Å; V165-M175 PolarHBondContact N-O 3.23Å; V165-M175 PolarHBondContact O-N 3.17Å; V165-R177 HydrophobicContact CG2-CB 4.25Å; V165-L180 HydrophobicContact CG2-CD2 4.33Å
166Y93.8Very high90.8Very high156 Ų15672.9 Ų72.961%0.61238%0.384SS*.EExtended strand (participates in β ladder)trans-80.3149.6172.9-70.5-77.9000111.2E168 A173 R174Y166-E168 PolarHBondContact O-N 2.96Å; Y166-A173 WeakPolarHBondContact CA-O 3.44Å; Y166-R174 HydrophobicContact CD1-CB 4.06Å; Y166-R174 HydrophobicContact CD1-CG 4.34Å; Y166-R174 HydrophobicContact CE1-CB 4Å; Y166-R174 HydrophobicContact CE1-CG 4.24Å
167C91.4Very high91Very high7 Ų775.2 Ų75.25%0.04739%0.392CS..  trans-61.5131.3173-179.20000112N169 K170 C171 A173C167-N169 PolarHBondContact O-N 3.09Å; C167-N169 PolarHBondContact SG-N 2.88Å; C167-K170 PolarHBondContact O-N 3.21Å; C167-C171 WeakPolarHBondContact CB-SG 3.36Å; C167-C171 VanDerWaalsContact SG-SG 3.62Å; C167-A173 PolarHBondContact N-O 3.13Å
168E89.7Confident91.3Very high152 Ų15276.5 Ų76.571%0.7139%0.392SS*.THydrogen-bonded Turntrans-60.5-31178.1-65.2175.2-173.600112.9Y166 K170 L180Y166-E168 PolarHBondContact O-N 2.96Å; E168-K170 PolarHBondContact O-N 3.45Å; E168-K170 VanDerWaalsContact O-N 3.1Å; E168-L180 HydrophobicContact CG-CD2 4.37Å
169N87.2Confident91.6Very high60 Ų6077.7 Ų77.732%0.32139%0.388SS..THydrogen-bonded Turntrans-74.67175.8-63.5-23.9000113.4C167 C171 K190C167-N169 PolarHBondContact O-N 3.09Å; C167-N169 PolarHBondContact SG-N 2.88Å; N169-C171 PolarHBondContact O-N 3.43Å; N169-C171 VanDerWaalsContact O-N 3.16Å; N169-K190 HydrophobicContact CB-CB 4.11Å; N169-K190 WeakPolarHBondContact O-CD 3.32Å
170K86.9Confident91.7Very high183 Ų18374.5 Ų74.580%0.79637%0.368SS*.  trans52.239178.6-55.3-177.9-177.5179.60112.8C167 E168 G172C167-K170 PolarHBondContact O-N 3.21Å; E168-K170 PolarHBondContact O-N 3.45Å; E168-K170 VanDerWaalsContact O-N 3.1Å; K170-G172 PolarHBondContact O-N 2.84Å
171C89Confident91.6Very high32 Ų3277.8 Ų77.822%0.21639%0.391CS..  trans-77.8-7.8176.872.50000113.3C167 N169 A173 H183 P189 K190C167-C171 WeakPolarHBondContact CB-SG 3.36Å; C167-C171 VanDerWaalsContact SG-SG 3.62Å; N169-C171 PolarHBondContact O-N 3.43Å; N169-C171 VanDerWaalsContact O-N 3.16Å; C171-A173 VanDerWaalsContact C-N 3.34Å; C171-A173 VanDerWaalsContact SG-CB 3.53Å; C171-A173 PolarHBondContact SG-N 3.49Å; C171-A173 VanDerWaalsContact SG-N 3.44Å; C171-H183 PolarHBondContact SG-NE2 3.37Å; C171-H183 VanDerWaalsContact SG-NE2 3.35Å; C171-P189 HydrophobicContact CB-CG 4.27Å; C171-K190 HydrophobicContact CB-CB 4.26Å; C171-K190 HydrophobicContact CB-CD 4.34Å; C171-K190 HydrophobicContact CB-CG 4.25Å
172G89.4Confident91.6Very high62 Ų6280 Ų8064%0.63940%0.396SS*.SBendtrans87.9-9.7-177.500000114.8K170K170-G172 PolarHBondContact O-N 2.84Å
173A91.4Very high91.6Very high32 Ų3276.1 Ų76.126%0.26438%0.378SS..  trans-72.6142177.400000112.1Y166 C167 C171 M175Y166-A173 WeakPolarHBondContact CA-O 3.44Å; C167-A173 PolarHBondContact N-O 3.13Å; C171-A173 VanDerWaalsContact C-N 3.34Å; C171-A173 VanDerWaalsContact SG-CB 3.53Å; C171-A173 PolarHBondContact SG-N 3.49Å; C171-A173 VanDerWaalsContact SG-N 3.44Å; A173-M175 HydrophobicContact CB-CE 3.71Å
174R94.1Very high91.4Very high167 Ų16776.1 Ų76.163%0.6338%0.382SS*.EExtended strand (participates in β ladder)trans-122.4128.2175.7-169178.971.4174.81.6109.6S164 V165 Y166S164-R174 WeakPolarHBondContact OG-CG 3.28Å; V165-R174 WeakPolarHBondContact O-CA 3.16Å; Y166-R174 HydrophobicContact CD1-CB 4.06Å; Y166-R174 HydrophobicContact CD1-CG 4.34Å; Y166-R174 HydrophobicContact CE1-CB 4Å; Y166-R174 HydrophobicContact CE1-CG 4.24Å
175M93.1Very high91.1Very high31 Ų3179.4 Ų79.415%0.15339%0.392CS..EExtended strand (participates in β ladder)trans-154.4170-174.164.2-166.374.600112.4S164 V165 A173 L179 H183S164-M175 CarbonylContact C-O 3.53Å; S164-M175 WeakPolarHBondContact CA-O 3.42Å; V165-M175 PolarHBondContact N-O 3.23Å; V165-M175 PolarHBondContact O-N 3.17Å; A173-M175 HydrophobicContact CB-CE 3.71Å; M175-L179 HydrophobicContact SD-CB 4.28Å; M175-H183 HydrophobicContact CE-CB 3.76Å; M175-H183 VanDerWaalsContact CE-CD2 3.48Å; M175-H183 WeakPolarHBondContact CE-CD2 3.5Å; M175-H183 HydrophobicContact SD-CB 3.4Å; M175-H183 WeakPolarHBondContact SD-CB 3.45Å
176M93.2Very high90.8Very high78 Ų7881.3 Ų81.338%0.38441%0.41SS..EExtended strand (participates in β ladder)trans-63.3136.5172.2-67177.5178.400110.5E163 R178 L179E163-M176 CarbonylContact O-C 3.5Å; E163-M176 WeakPolarHBondContact O-CA 3.49Å; M176-R178 HydrophobicContact CB-CG 4.13Å; M176-R178 PolarHBondContact O-N 3.01Å; M176-R178 VanDerWaalsContact O-N 3.07Å; M176-L179 HydrophobicContact CB-CG 4.5Å; M176-L179 WeakPolarHBondContact O-CB 3.34Å; M176-L179 PolarHBondContact O-N 2.94Å
177R93.9Very high90.6Very high73 Ų7379.4 Ų79.428%0.27541%0.407SS..G310 helixtrans-48.5-39.2-179.4-175.9-179.5-64.1-82.63.2113.6G158 C160 P161 E163 V165 L179 L180G158-R177 PolarHBondContact O-NE 2.99Å; G158-R177 PolarHBondContact O-NH1 3.37Å; G158-R177 PolarHBondContact O-NH2 3.37Å; C160-R177 WeakPolarHBondContact O-CB 3.38Å; C160-R177 WeakPolarHBondContact O-CD 3.5Å; P161-R177 PolarHBondContact O-N 2.93Å; E163-R177 PolarHBondContact O-N 2.91Å; E163-R177 IonicContact OE2-CZ 3.41Å; E163-R177 IonicContact OE2-NE 2.74Å; E163-R177 IonicContact OE2-NH2 3.71Å; E163-R177 PolarHBondContact OE2-NH2 3.11Å; V165-R177 HydrophobicContact CG2-CB 4.25Å; R177-L179 PolarHBondContact O-N 3.13Å; R177-L179 VanDerWaalsContact O-N 3.16Å; R177-L180 WeakPolarHBondContact O-CB 3.42Å; R177-L180 PolarHBondContact O-N 3.35Å
178R92.6Very high90.5Very high161 Ų16179.1 Ų79.161%0.60841%0.405SS*.G310 helixtrans-58.5-26177.371.2-171179.4104.6-0.8114.7P161 M176P161-R178 HydrophobicContact CB-CB 4.07Å; P161-R178 PolarHBondContact O-N 3Å; P161-R178 VanDerWaalsContact O-N 3.1Å; M176-R178 HydrophobicContact CB-CG 4.13Å; M176-R178 PolarHBondContact O-N 3.01Å; M176-R178 VanDerWaalsContact O-N 3.07Å
179L93.3Very high90.4Very high64 Ų6475.3 Ų75.334%0.33539%0.393SS..G310 helixtrans-92.5-9.5-179.5-57.7178.9000112.6M175 M176 R177 S181 Q182 H183M175-L179 HydrophobicContact SD-CB 4.28Å; M176-L179 HydrophobicContact CB-CG 4.5Å; M176-L179 WeakPolarHBondContact O-CB 3.34Å; M176-L179 PolarHBondContact O-N 2.94Å; R177-L179 PolarHBondContact O-N 3.13Å; R177-L179 VanDerWaalsContact O-N 3.16Å; L179-S181 VanDerWaalsContact C-N 3.31Å; L179-S181 PolarHBondContact O-N 3.16Å; L179-Q182 PolarHBondContact O-N 3.45Å; L179-H183 WeakPolarHBondContact O-CB 3.31Å; L179-H183 PolarHBondContact O-N 3.21Å
180L91.7Very high90.5Very high18 Ų1877.3 Ų77.39%0.09440%0.399CS..Hα-helixtrans-59.8-40.6-173.8-172.966.7000112.4V165 E168 R177 S184V165-L180 HydrophobicContact CG2-CD2 4.33Å; E168-L180 HydrophobicContact CG-CD2 4.37Å; R177-L180 WeakPolarHBondContact O-CB 3.42Å; R177-L180 PolarHBondContact O-N 3.35Å; L180-S184 WeakPolarHBondContact O-CB 3.23Å; L180-S184 PolarHBondContact O-N 3.44Å; L180-S184 PolarHBondContact O-OG 2.94Å
181S90.3Very high90.7Very high71 Ų7170.2 Ų70.250%0.49737%0.368SS..Hα-helixtrans-67.3-45.4179.2178.80000112.4L179 H183 S184 M185L179-S181 VanDerWaalsContact C-N 3.31Å; L179-S181 PolarHBondContact O-N 3.16Å; S181-H183 VanDerWaalsContact C-N 3.34Å; S181-H183 PolarHBondContact O-N 3.14Å; S181-S184 PolarHBondContact O-N 3.46Å; S181-S184 PolarHBondContact O-OG 2.89Å; S181-M185 WeakPolarHBondContact O-CE 3.32Å; S181-M185 WeakPolarHBondContact O-CG 3.49Å; S181-M185 PolarHBondContact O-N 3.24Å; S181-M185 VanDerWaalsContact O-N 3.16Å; S181-M185 WeakPolarHBondContact OG-CE 3.37Å
182Q92.1Very high90.8Very high111 Ų11172.4 Ų72.452%0.51938%0.38SS..Hα-helixtrans-61.9-45175.8-178.6178.39.900111L179 A186L179-Q182 PolarHBondContact O-N 3.45Å; Q182-A186 WeakPolarHBondContact O-CB 3.26Å; Q182-A186 PolarHBondContact O-N 2.89Å
183H91.7Very high90.8Very high14 Ų1472.7 Ų72.77%0.06536%0.364CS..Iπ-helixtrans-60-50.5176.2173.976.4000111.8C171 M175 L179 S181 M185 E187 C188C171-H183 PolarHBondContact SG-NE2 3.37Å; C171-H183 VanDerWaalsContact SG-NE2 3.35Å; M175-H183 HydrophobicContact CE-CB 3.76Å; M175-H183 VanDerWaalsContact CE-CD2 3.48Å; M175-H183 WeakPolarHBondContact CE-CD2 3.5Å; M175-H183 HydrophobicContact SD-CB 3.4Å; M175-H183 WeakPolarHBondContact SD-CB 3.45Å; L179-H183 WeakPolarHBondContact O-CB 3.31Å; L179-H183 PolarHBondContact O-N 3.21Å; S181-H183 VanDerWaalsContact C-N 3.34Å; S181-H183 PolarHBondContact O-N 3.14Å; H183-M185 VanDerWaalsContact C-N 3.26Å; H183-M185 PolarHBondContact O-N 3.37Å; H183-E187 IonicContact ND1-OE2 2.99Å; H183-E187 CarbonylContact O-C 3.58Å; H183-E187 PolarHBondContact O-N 2.99Å; H183-C188 WeakPolarHBondContact NE2-CB 3.47Å; H183-C188 VanDerWaalsContact O-CB 3.24Å; H183-C188 WeakPolarHBondContact O-CB 3.44Å; H183-C188 PolarHBondContact O-N 3.46Å
184S89.1Confident90.9Very high39 Ų3975.2 Ų75.227%0.27338%0.378SS..Iπ-helixtrans-60.8-35.8-175.468.10000112.6L180 S181 R191L180-S184 WeakPolarHBondContact O-CB 3.23Å; L180-S184 PolarHBondContact O-N 3.44Å; L180-S184 PolarHBondContact O-OG 2.94Å; S181-S184 PolarHBondContact O-N 3.46Å; S181-S184 PolarHBondContact O-OG 2.89Å; S184-R191 WeakPolarHBondContact O-CB 3.43Å
185M87.1Confident90.8Very high133 Ų13367.4 Ų67.466%0.65535%0.349SS*.Iπ-helixtrans-83.6-41.9-178.7-66.3-171-66.600113.8S181 H183 R191S181-M185 WeakPolarHBondContact O-CE 3.32Å; S181-M185 WeakPolarHBondContact O-CG 3.49Å; S181-M185 PolarHBondContact O-N 3.24Å; S181-M185 VanDerWaalsContact O-N 3.16Å; S181-M185 WeakPolarHBondContact OG-CE 3.37Å; H183-M185 VanDerWaalsContact C-N 3.26Å; H183-M185 PolarHBondContact O-N 3.37Å; M185-R191 WeakPolarHBondContact O-CD 3.38Å
186A86.8Confident90.7Very high63 Ų6373.4 Ų73.452%0.52137%0.374SS..Iπ-helixtrans-109.5-37-167.700000114.3Q182 R191Q182-A186 WeakPolarHBondContact O-CB 3.26Å; Q182-A186 PolarHBondContact O-N 2.89Å; A186-R191 PolarHBondContact O-NH1 3.1Å
187E88.4Confident90.6Very high117 Ų11773 Ų7355%0.54737%0.369SS..Iπ-helixtrans-111.2-26-165-60.9172.6-165.500113.3H183 P189H183-E187 IonicContact ND1-OE2 2.99Å; H183-E187 CarbonylContact O-C 3.58Å; H183-E187 PolarHBondContact O-N 2.99Å; E187-P189 WeakPolarHBondContact O-CD 3.25Å
188C90.4Very high90.6Very high0 Ų071.2 Ų71.20%037%0.367CS..  trans-63.8121.5-173-173.10000109.9H183 K190 R191H183-C188 WeakPolarHBondContact NE2-CB 3.47Å; H183-C188 VanDerWaalsContact O-CB 3.24Å; H183-C188 WeakPolarHBondContact O-CB 3.44Å; H183-C188 PolarHBondContact O-N 3.46Å; C188-K190 PolarHBondContact O-N 3.41Å; C188-R191 HydrophobicContact CB-CB 4.14Å; C188-R191 WeakPolarHBondContact O-CB 3.3Å; C188-R191 VanDerWaalsContact O-CG 3.25Å; C188-R191 WeakPolarHBondContact O-CG 3.38Å; C188-R191 PolarHBondContact O-N 2.98Å; C188-R191 VanDerWaalsContact O-N 3.1Å; C188-R191 PolarHBondContact O-NH1 2.91Å
189P87Confident90.5Very high72 Ų7266.1 Ų66.147%0.46837%0.365SS..THydrogen-bonded Turntrans-66.9-23.4177.326.8-34.1000111.6C171 E187C171-P189 HydrophobicContact CB-CG 4.27Å; E187-P189 WeakPolarHBondContact O-CD 3.25Å
190K88.9Confident90.4Very high102 Ų10270 Ų7044%0.44338%0.379SS..THydrogen-bonded Turntrans-95.714.6175.3-66.1-168-179.3-76.20113.8N169 C171 C188 V203N169-K190 HydrophobicContact CB-CB 4.11Å; N169-K190 WeakPolarHBondContact O-CD 3.32Å; C171-K190 HydrophobicContact CB-CB 4.26Å; C171-K190 HydrophobicContact CB-CD 4.34Å; C171-K190 HydrophobicContact CB-CG 4.25Å; C188-K190 PolarHBondContact O-N 3.41Å; K190-V203 HydrophobicContact CB-CG1 4.27Å; K190-V203 HydrophobicContact CG-CG1 4.5Å
191R91.8Very high90.4Very high35 Ų3575.8 Ų75.813%0.13241%0.406CS..  trans-60.5150173.871.7-177.4172.3-104.58.6110.9S184 M185 A186 C188 Q193 V203 F204S184-R191 WeakPolarHBondContact O-CB 3.43Å; M185-R191 WeakPolarHBondContact O-CD 3.38Å; A186-R191 PolarHBondContact O-NH1 3.1Å; C188-R191 HydrophobicContact CB-CB 4.14Å; C188-R191 WeakPolarHBondContact O-CB 3.3Å; C188-R191 VanDerWaalsContact O-CG 3.25Å; C188-R191 WeakPolarHBondContact O-CG 3.38Å; C188-R191 PolarHBondContact O-N 2.98Å; C188-R191 VanDerWaalsContact O-N 3.1Å; C188-R191 PolarHBondContact O-NH1 2.91Å; R191-Q193 VanDerWaalsContact NE-NE2 3.15Å; R191-V203 CarbonylContact O-C 3.54Å; R191-V203 WeakPolarHBondContact O-CA 3.26Å; R191-F204 HydrophobicContact CG-CB 3.63Å; R191-F204 HydrophobicContact CG-CG 4.24Å; R191-F204 WeakPolarHBondContact O-CB 3.44Å; R191-F204 PolarHBondContact O-N 3.36Å
192T91Very high90.4Very high78 Ų7874.7 Ų74.748%0.47939%0.392SS..EExtended strand (participates in β ladder)trans-88.2142.9172.350.80000110.6F202T192-F202 CarbonylContact C-O 3.47Å; T192-F202 VanDerWaalsContact CA-O 3.28Å; T192-F202 WeakPolarHBondContact CA-O 3.45Å
193Q90Very high90.4Very high67 Ų6771.9 Ų71.931%0.31338%0.382SS..EExtended strand (participates in β ladder)trans-136.2140.3171-71.3-167.8-8.900110.3R191 F202 F204 I207R191-Q193 VanDerWaalsContact NE-NE2 3.15Å; Q193-F202 PolarHBondContact N-O 3.31Å; Q193-F202 PolarHBondContact O-N 3.48Å; Q193-F204 HydrophobicContact CG-CD2 4.38Å; Q193-I207 HydrophobicContact CB-CD1 3.93Å
194P91.8Very high90.2Very high85 Ų8575 Ų7555%0.55240%0.396SS*.EExtended strand (participates in β ladder)trans-71.9137.4173.829.5-33.4000110.3K196 K200P194-K196 PolarHBondContact O-N 3.43Å; P194-K200 CarbonylContact C-O 3.59Å; P194-K200 WeakPolarHBondContact CA-O 3.41Å
195C93Very high90Very high3 Ų379 Ų792%0.0241%0.414CS..  trans-65.4122.7170176.60000109.8Y197 C198 G199 K200 F202 H210C195-Y197 PolarHBondContact O-N 2.97Å; C195-C198 WeakPolarHBondContact CB-SG 3.24Å; C195-C198 PolarHBondContact O-N 3.43Å; C195-C198 VanDerWaalsContact SG-SG 3.63Å; C195-G199 VanDerWaalsContact O-CA 3.31Å; C195-G199 WeakPolarHBondContact O-CA 3.49Å; C195-G199 PolarHBondContact O-N 3.17Å; C195-K200 PolarHBondContact N-O 3.15Å; C195-F202 HydrophobicContact CB-CD2 4.03Å; C195-F202 HydrophobicContact CB-CE2 3.92Å; C195-H210 VanDerWaalsContact SG-CD2 3.58Å; C195-H210 PolarHBondContact SG-NE2 3.31Å; C195-H210 VanDerWaalsContact SG-NE2 3.45Å
196K90.8Very high90Very high157 Ų15775.8 Ų75.868%0.68340%0.402SS*.THydrogen-bonded Turntrans-59.5-11.717970.2-175.2-173.2-179.50115.4P194P194-K196 PolarHBondContact O-N 3.43Å
197Y92.1Very high90.1Very high69 Ų6973.4 Ų73.427%0.27138%0.381SS..THydrogen-bonded Turntrans-105.9-44.7-178.4-54.6-70.8000113.1C195 Q211 R216 F217 P218C195-Y197 PolarHBondContact O-N 2.97Å; Y197-Q211 HydrophobicContact CE2-CG 4.36Å; Y197-R216 WeakPolarHBondContact O-CB 3.5Å; Y197-F217 AromaticContact CD2-CD2 3.82Å; Y197-F217 HydrophobicContact CD2-CD2 3.82Å; Y197-F217 HydrophobicContact CD2-CE2 4.49Å; Y197-F217 AromaticContact CE2-CD2 3.36Å; Y197-F217 HydrophobicContact CE2-CD2 3.36Å; Y197-F217 AromaticContact CE2-CE2 3.6Å; Y197-F217 HydrophobicContact CE2-CE2 3.6Å; Y197-F217 HydrophobicContact CE2-CG 4.47Å; Y197-F217 AromaticContact CZ-CD2 3.76Å; Y197-F217 AromaticContact CZ-CE2 3.77Å; Y197-P218 HydrophobicContact CD1-CG 4.07Å; Y197-P218 HydrophobicContact CE1-CG 3.76Å
198C92.1Very high90.1Very high36 Ų3674.4 Ų74.424%0.24339%0.385CS..THydrogen-bonded Turntrans-109.2-6.3-17675.30000114.2C195 K200 H210 R216C195-C198 WeakPolarHBondContact CB-SG 3.24Å; C195-C198 PolarHBondContact O-N 3.43Å; C195-C198 VanDerWaalsContact SG-SG 3.63Å; C198-K200 PolarHBondContact O-N 2.6Å; C198-K200 VanDerWaalsContact O-N 3.09Å; C198-H210 PolarHBondContact SG-NE2 2.77Å; C198-R216 HydrophobicContact CB-CB 4.17Å; C198-R216 HydrophobicContact CB-CG 4.15Å
199G91.3Very high90Very high54 Ų5479.2 Ų79.256%0.55741%0.411SS*.  trans73.2-10.6179.100000115.8C195C195-G199 VanDerWaalsContact O-CA 3.31Å; C195-G199 WeakPolarHBondContact O-CA 3.49Å; C195-G199 PolarHBondContact O-N 3.17Å
200K90.9Very high90.1Very high145 Ų14577.3 Ų77.363%0.6340%0.396SS*.  trans-70145.8-180-63.1-179.1179.9-177.60111.6P194 C195 C198 F202P194-K200 CarbonylContact C-O 3.59Å; P194-K200 WeakPolarHBondContact CA-O 3.41Å; C195-K200 PolarHBondContact N-O 3.15Å; C198-K200 PolarHBondContact O-N 2.6Å; C198-K200 VanDerWaalsContact O-N 3.09Å; K200-F202 HydrophobicContact CB-CD2 4.5Å; K200-F202 HydrophobicContact CB-CE2 3.61Å; K200-F202 HydrophobicContact CB-CZ 3.94Å; K200-F202 WeakPolarHBondContact O-CD2 3.41Å; K200-F202 WeakPolarHBondContact O-CE2 3.3Å
201E91.6Very high90.1Very high140 Ų14075.1 Ų75.165%0.65439%0.387SS*.EExtended strand (participates in β ladder)trans-82.2134.5179.7-60.3-165.1124.500112.2
202F91Very high89.9Confident49 Ų4981.6 Ų81.622%0.21541%0.413CS..EExtended strand (participates in β ladder)trans-136.3154.6176.7-63.4-85.1000110.7T192 Q193 C195 K200 F204 I207 H210T192-F202 CarbonylContact C-O 3.47Å; T192-F202 VanDerWaalsContact CA-O 3.28Å; T192-F202 WeakPolarHBondContact CA-O 3.45Å; Q193-F202 PolarHBondContact N-O 3.31Å; Q193-F202 PolarHBondContact O-N 3.48Å; C195-F202 HydrophobicContact CB-CD2 4.03Å; C195-F202 HydrophobicContact CB-CE2 3.92Å; K200-F202 HydrophobicContact CB-CD2 4.5Å; K200-F202 HydrophobicContact CB-CE2 3.61Å; K200-F202 HydrophobicContact CB-CZ 3.94Å; K200-F202 WeakPolarHBondContact O-CD2 3.41Å; K200-F202 WeakPolarHBondContact O-CE2 3.3Å; F202-F204 PolarHBondContact O-N 3.38Å; F202-I207 HydrophobicContact CB-CB 4.13Å; F202-I207 HydrophobicContact CB-CD1 4.48Å; F202-I207 HydrophobicContact CB-CG1 4.06Å; F202-I207 HydrophobicContact CD2-CG1 4.45Å; F202-H210 HydrophobicContact CD1-CB 4.16Å; F202-H210 HydrophobicContact CD2-CB 4.49Å; F202-H210 AromaticContact CD2-CD2 3.77Å; F202-H210 HydrophobicContact CE1-CB 4.17Å; F202-H210 AromaticContact CE1-CG 3.77Å; F202-H210 AromaticContact CE1-ND1 3.66Å; F202-H210 HydrophobicContact CE2-CB 4.48Å; F202-H210 AromaticContact CE2-CD2 3.32Å; F202-H210 WeakPolarHBondContact CE2-CD2 3.26Å; F202-H210 AromaticContact CE2-CE1 3.66Å; F202-H210 AromaticContact CE2-CG 3.61Å; F202-H210 AromaticContact CE2-ND1 3.81Å; F202-H210 AromaticContact CE2-NE2 3.37Å; F202-H210 WeakPolarHBondContact CE2-NE2 3.38Å; F202-H210 HydrophobicContact CG-CB 4.34Å; F202-H210 HydrophobicContact CZ-CB 4.34Å; F202-H210 AromaticContact CZ-CD2 3.66Å; F202-H210 AromaticContact CZ-CE1 3.33Å; F202-H210 WeakPolarHBondContact CZ-CE1 3.46Å; F202-H210 AromaticContact CZ-CG 3.48Å; F202-H210 VanDerWaalsContact CZ-CG 3.48Å; F202-H210 AromaticContact CZ-ND1 3.27Å; F202-H210 VanDerWaalsContact CZ-ND1 3.27Å; F202-H210 WeakPolarHBondContact CZ-ND1 3.37Å; F202-H210 AromaticContact CZ-NE2 3.58Å
203V91.1Very high89.8Confident51 Ų5184.4 Ų84.431%0.30942%0.42SS..EExtended strand (participates in β ladder)trans-64.9133.8170.7-177.20000108.9K190 R191 D205 T206 I207K190-V203 HydrophobicContact CB-CG1 4.27Å; K190-V203 HydrophobicContact CG-CG1 4.5Å; R191-V203 CarbonylContact O-C 3.54Å; R191-V203 WeakPolarHBondContact O-CA 3.26Å; V203-D205 HydrophobicContact CG1-CB 4.37Å; V203-D205 PolarHBondContact O-N 2.92Å; V203-D205 VanDerWaalsContact O-N 3.17Å; V203-T206 CarbonylContact O-C 3.58Å; V203-T206 WeakPolarHBondContact O-CA 3.39Å; V203-T206 PolarHBondContact O-N 3.32Å; V203-T206 PolarHBondContact O-OG1 2.99Å; V203-I207 PolarHBondContact O-N 2.98Å
204F87.8Confident90Very high80 Ų8081.2 Ų81.235%0.35141%0.405SS..Hα-helixtrans-50.3-41.9-176.3176.3-104.2000113.1R191 Q193 F202 T206 I207R191-F204 HydrophobicContact CG-CB 3.63Å; R191-F204 HydrophobicContact CG-CG 4.24Å; R191-F204 WeakPolarHBondContact O-CB 3.44Å; R191-F204 PolarHBondContact O-N 3.36Å; Q193-F204 HydrophobicContact CG-CD2 4.38Å; F202-F204 PolarHBondContact O-N 3.38Å; F204-T206 VanDerWaalsContact C-N 3.25Å; F204-T206 PolarHBondContact O-N 3.01Å; F204-I207 VanDerWaalsContact O-CG2 3.27Å; F204-I207 WeakPolarHBondContact O-CG2 3.47Å
205D85.9Confident90.1Very high123 Ų12380 Ų8066%0.65840%0.397SS*.Hα-helixtrans-61.2-31.6176.3-169.138.4000113.4V203V203-D205 HydrophobicContact CG1-CB 4.37Å; V203-D205 PolarHBondContact O-N 2.92Å; V203-D205 VanDerWaalsContact O-N 3.17Å
206T87.1Confident90.1Very high65 Ų6586.2 Ų86.240%0.39942%0.42SS..Hα-helixtrans-100.7-11.8-174.463.80000114.4V203 F204 Q208 N209 H210V203-T206 CarbonylContact O-C 3.58Å; V203-T206 WeakPolarHBondContact O-CA 3.39Å; V203-T206 PolarHBondContact O-N 3.32Å; V203-T206 PolarHBondContact O-OG1 2.99Å; F204-T206 VanDerWaalsContact C-N 3.25Å; F204-T206 PolarHBondContact O-N 3.01Å; T206-Q208 VanDerWaalsContact C-N 3.26Å; T206-Q208 PolarHBondContact O-N 2.93Å; T206-N209 WeakPolarHBondContact O-CB 3.42Å; T206-N209 PolarHBondContact O-N 3.27Å; T206-N209 VanDerWaalsContact O-N 3.09Å; T206-H210 PolarHBondContact O-N 3.23Å; T206-H210 VanDerWaalsContact O-N 3.13Å
207I88.8Confident90.2Very high14 Ų1481.3 Ų81.37%0.07240%0.399CS..Hα-helixtrans-65.1-30.5-172.9-161.7170.6000112.5Q193 F202 V203 F204 H210 Q211Q193-I207 HydrophobicContact CB-CD1 3.93Å; F202-I207 HydrophobicContact CB-CB 4.13Å; F202-I207 HydrophobicContact CB-CD1 4.48Å; F202-I207 HydrophobicContact CB-CG1 4.06Å; F202-I207 HydrophobicContact CD2-CG1 4.45Å; V203-I207 PolarHBondContact O-N 2.98Å; F204-I207 VanDerWaalsContact O-CG2 3.27Å; F204-I207 WeakPolarHBondContact O-CG2 3.47Å; I207-H210 PolarHBondContact O-N 3.23Å; I207-Q211 WeakPolarHBondContact O-CG 3.5Å; I207-Q211 PolarHBondContact O-N 3.09Å; I207-Q211 VanDerWaalsContact O-N 3.1Å
208Q87.4Confident90.3Very high137 Ų13780.1 Ų80.164%0.6440%0.4SS*.Hα-helixtrans-63-44.1174.1-68.6-173.7-2.800111T206 H210 Q211 Y212T206-Q208 VanDerWaalsContact C-N 3.26Å; T206-Q208 PolarHBondContact O-N 2.93Å; Q208-H210 VanDerWaalsContact C-N 3.34Å; Q208-H210 PolarHBondContact O-N 2.93Å; Q208-Q211 WeakPolarHBondContact O-CB 3.45Å; Q208-Q211 PolarHBondContact O-N 3.25Å; Q208-Q211 VanDerWaalsContact O-N 3.14Å; Q208-Y212 WeakPolarHBondContact O-CD2 3.44Å
209N88.9Confident90.4Very high102 Ų10279.4 Ų79.455%0.54539%0.394SS..Hα-helixtrans-62.4-42.1176.1-168.33.9000111.2T206 Q211 Y212T206-N209 WeakPolarHBondContact O-CB 3.42Å; T206-N209 PolarHBondContact O-N 3.27Å; T206-N209 VanDerWaalsContact O-N 3.09Å; N209-Q211 VanDerWaalsContact C-N 3.28Å; N209-Q211 PolarHBondContact O-N 3.46Å; N209-Y212 PolarHBondContact O-N 3.1Å
210H89.8Confident90.4Very high32 Ų3283.9 Ų83.915%0.14840%0.401CS..Hα-helixtrans-56.8-39.5173.7171.566.1000112.7C195 C198 F202 T206 I207 Q208 Y212 H213 C214C195-H210 VanDerWaalsContact SG-CD2 3.58Å; C195-H210 PolarHBondContact SG-NE2 3.31Å; C195-H210 VanDerWaalsContact SG-NE2 3.45Å; C198-H210 PolarHBondContact SG-NE2 2.77Å; F202-H210 HydrophobicContact CD1-CB 4.16Å; F202-H210 HydrophobicContact CD2-CB 4.49Å; F202-H210 AromaticContact CD2-CD2 3.77Å; F202-H210 HydrophobicContact CE1-CB 4.17Å; F202-H210 AromaticContact CE1-CG 3.77Å; F202-H210 AromaticContact CE1-ND1 3.66Å; F202-H210 HydrophobicContact CE2-CB 4.48Å; F202-H210 AromaticContact CE2-CD2 3.32Å; F202-H210 WeakPolarHBondContact CE2-CD2 3.26Å; F202-H210 AromaticContact CE2-CE1 3.66Å; F202-H210 AromaticContact CE2-CG 3.61Å; F202-H210 AromaticContact CE2-ND1 3.81Å; F202-H210 AromaticContact CE2-NE2 3.37Å; F202-H210 WeakPolarHBondContact CE2-NE2 3.38Å; F202-H210 HydrophobicContact CG-CB 4.34Å; F202-H210 HydrophobicContact CZ-CB 4.34Å; F202-H210 AromaticContact CZ-CD2 3.66Å; F202-H210 AromaticContact CZ-CE1 3.33Å; F202-H210 WeakPolarHBondContact CZ-CE1 3.46Å; F202-H210 AromaticContact CZ-CG 3.48Å; F202-H210 VanDerWaalsContact CZ-CG 3.48Å; F202-H210 AromaticContact CZ-ND1 3.27Å; F202-H210 VanDerWaalsContact CZ-ND1 3.27Å; F202-H210 WeakPolarHBondContact CZ-ND1 3.37Å; F202-H210 AromaticContact CZ-NE2 3.58Å; T206-H210 PolarHBondContact O-N 3.23Å; T206-H210 VanDerWaalsContact O-N 3.13Å; I207-H210 PolarHBondContact O-N 3.23Å; Q208-H210 VanDerWaalsContact C-N 3.34Å; Q208-H210 PolarHBondContact O-N 2.93Å; H210-Y212 VanDerWaalsContact C-N 3.26Å; H210-Y212 PolarHBondContact O-N 3.38Å; H210-H213 CarbonylContact O-C 3.32Å; H210-H213 PolarHBondContact O-N 3.18Å; H210-C214 WeakPolarHBondContact NE2-CB 3.38Å; H210-C214 WeakPolarHBondContact O-CA 3.38Å; H210-C214 WeakPolarHBondContact O-CB 3.43Å; H210-C214 PolarHBondContact O-N 3.47Å
211Q88.6Confident90.4Very high56 Ų5677.2 Ų77.226%0.26237%0.372SS..Hα-helixtrans-58.9-35.7-179.5-71.8177.13.100112.9Y197 I207 Q208 N209 H213 C214 F217Y197-Q211 HydrophobicContact CE2-CG 4.36Å; I207-Q211 WeakPolarHBondContact O-CG 3.5Å; I207-Q211 PolarHBondContact O-N 3.09Å; I207-Q211 VanDerWaalsContact O-N 3.1Å; Q208-Q211 WeakPolarHBondContact O-CB 3.45Å; Q208-Q211 PolarHBondContact O-N 3.25Å; Q208-Q211 VanDerWaalsContact O-N 3.14Å; N209-Q211 VanDerWaalsContact C-N 3.28Å; N209-Q211 PolarHBondContact O-N 3.46Å; Q211-H213 PolarHBondContact O-N 3.41Å; Q211-C214 PolarHBondContact O-N 2.98Å; Q211-F217 HydrophobicContact CB-CD2 4.19Å; Q211-F217 HydrophobicContact CB-CE2 4.18Å; Q211-F217 WeakPolarHBondContact O-CD2 3.47Å
212Y87.8Confident90.4Very high170 Ų17074.6 Ų74.667%0.66737%0.367SS*.Hα-helixtrans-63-28.2175.4-70.3-80000113.1Q208 N209 H210 R232Q208-Y212 WeakPolarHBondContact O-CD2 3.44Å; N209-Y212 PolarHBondContact O-N 3.1Å; H210-Y212 VanDerWaalsContact C-N 3.26Å; H210-Y212 PolarHBondContact O-N 3.38Å; Y212-R232 VanDerWaalsContact O-CZ 3.25Å; Y212-R232 PolarHBondContact O-NH2 3Å
213H89.3Confident90.2Very high138 Ų13874.8 Ų74.864%0.63937%0.371SS*.Hα-helixtrans-111.72.3-177.4-61.6-69.9000113.8H210 Q211 P215H210-H213 CarbonylContact O-C 3.32Å; H210-H213 PolarHBondContact O-N 3.18Å; Q211-H213 PolarHBondContact O-N 3.41Å; H213-P215 WeakPolarHBondContact O-CD 3.31Å
214C93.5Very high90Very high0 Ų080.5 Ų80.50%039%0.394CS..  trans-68.4124-173.8173.90000110.2H210 Q211 R216 F217H210-C214 WeakPolarHBondContact NE2-CB 3.38Å; H210-C214 WeakPolarHBondContact O-CA 3.38Å; H210-C214 WeakPolarHBondContact O-CB 3.43Å; H210-C214 PolarHBondContact O-N 3.47Å; Q211-C214 PolarHBondContact O-N 2.98Å; C214-R216 PolarHBondContact O-N 3.28Å; C214-F217 HydrophobicContact CB-CB 3.99Å; C214-F217 WeakPolarHBondContact O-CB 3.33Å; C214-F217 PolarHBondContact O-N 3.11Å; C214-F217 VanDerWaalsContact O-N 3.08Å
215P93.4Very high90Very high58 Ų5878.1 Ų78.138%0.37739%0.387SS..THydrogen-bonded Turntrans-61-32.2-179.6-24.634000113.3H213 F217 R232 E233H213-P215 WeakPolarHBondContact O-CD 3.31Å; P215-F217 VanDerWaalsContact C-N 3.34Å; P215-R232 WeakPolarHBondContact O-CB 3.42Å; P215-R232 PolarHBondContact O-N 3.46Å; P215-E233 HydrophobicContact CB-CB 4.11Å; P215-E233 HydrophobicContact CB-CG 4.36Å; P215-E233 VanDerWaalsContact CB-OE2 3.26Å; P215-E233 WeakPolarHBondContact CB-OE2 3.36Å; P215-E233 PolarHBondContact O-N 3.47Å
216R93.3Very high90Very high135 Ų13575.3 Ų75.351%0.50939%0.387SS..THydrogen-bonded Turntrans-87.90.4179.3-67.8-76.4165.9152.8-11.4113.7Y197 C198 C214 P218 E233Y197-R216 WeakPolarHBondContact O-CB 3.5Å; C198-R216 HydrophobicContact CB-CB 4.17Å; C198-R216 HydrophobicContact CB-CG 4.15Å; C214-R216 PolarHBondContact O-N 3.28Å; R216-P218 WeakPolarHBondContact O-CD 3.33Å; R216-E233 IonicContact CZ-OE1 2.68Å; R216-E233 IonicContact NE-OE1 2.69Å; R216-E233 PolarHBondContact NE-OE1 3.13Å; R216-E233 IonicContact NH2-OE1 3.75Å; R216-E233 PolarHBondContact NH2-OE1 3.28Å
217F93.4Very high90.1Very high54 Ų5475 Ų7524%0.23739%0.385CS..SBendtrans-65.6127.9178.5-170.1-90.7000110.2Y197 Q211 C214 P215 V219 R232Y197-F217 AromaticContact CD2-CD2 3.82Å; Y197-F217 HydrophobicContact CD2-CD2 3.82Å; Y197-F217 HydrophobicContact CD2-CE2 4.49Å; Y197-F217 AromaticContact CE2-CD2 3.36Å; Y197-F217 HydrophobicContact CE2-CD2 3.36Å; Y197-F217 AromaticContact CE2-CE2 3.6Å; Y197-F217 HydrophobicContact CE2-CE2 3.6Å; Y197-F217 HydrophobicContact CE2-CG 4.47Å; Y197-F217 AromaticContact CZ-CD2 3.76Å; Y197-F217 AromaticContact CZ-CE2 3.77Å; Q211-F217 HydrophobicContact CB-CD2 4.19Å; Q211-F217 HydrophobicContact CB-CE2 4.18Å; Q211-F217 WeakPolarHBondContact O-CD2 3.47Å; C214-F217 HydrophobicContact CB-CB 3.99Å; C214-F217 WeakPolarHBondContact O-CB 3.33Å; C214-F217 PolarHBondContact O-N 3.11Å; C214-F217 VanDerWaalsContact O-N 3.08Å; P215-F217 VanDerWaalsContact C-N 3.34Å; F217-V219 HydrophobicContact CD1-CG1 4.09Å; F217-V219 PolarHBondContact O-N 2.99Å; F217-R232 PolarHBondContact O-N 2.62Å
218P93.6Very high90Very high43 Ų4378.7 Ų78.728%0.27941%0.41SS..EExtended strand (participates in β ladder)trans-62.7122.5174.4-26.637.1000112Y197 R216 I230Y197-P218 HydrophobicContact CD1-CG 4.07Å; Y197-P218 HydrophobicContact CE1-CG 3.76Å; R216-P218 WeakPolarHBondContact O-CD 3.33Å; P218-I230 CarbonylContact C-O 3.56Å; P218-I230 WeakPolarHBondContact CA-O 3.49Å
219V93.2Very high90.1Very high21 Ų2178.4 Ų78.413%0.12741%0.413CS..EExtended strand (participates in β ladder)trans-117.8153.5175.5-64.90000110.4F217 I230 R232 L235F217-V219 HydrophobicContact CD1-CG1 4.09Å; F217-V219 PolarHBondContact O-N 2.99Å; V219-I230 WeakPolarHBondContact CG2-O 3.27Å; V219-I230 PolarHBondContact N-O 3.48Å; V219-R232 HydrophobicContact CG1-CB 4.08Å; V219-R232 HydrophobicContact CG1-CG 4.37Å; V219-R232 HydrophobicContact CG2-CB 4.41Å; V219-L235 HydrophobicContact CG2-CB 4.17Å; V219-L235 HydrophobicContact CG2-CD1 4.24Å; V219-L235 HydrophobicContact CG2-CD2 3.95Å; V219-L235 HydrophobicContact CG2-CG 4.34Å
220Q91.8Very high90.3Very high149 Ų14974.1 Ų74.170%0.69639%0.39SS*.  trans-80.2142.1174.2-65.1-61.8-33.700110
221C91.7Very high90.5Very high4 Ų473.2 Ų73.23%0.02739%0.388CS..  trans-64.1130.5173.5-178.90000109.9N223 Q224 C225 I230 H238 C243C221-N223 PolarHBondContact O-N 3.42Å; C221-Q224 WeakPolarHBondContact O-CA 3.46Å; C221-Q224 PolarHBondContact O-N 3.09Å; C221-C225 VanDerWaalsContact CB-SG 3.53Å; C221-C225 VanDerWaalsContact SG-SG 3.62Å; C221-I230 HydrophobicContact CB-CD1 3.76Å; C221-H238 PolarHBondContact SG-NE2 3.33Å; C221-H238 VanDerWaalsContact SG-NE2 3.38Å; C221-C243 VanDerWaalsContact SG-SG 3.64Å
222P90.5Very high90.7Very high86 Ų8675.5 Ų75.556%0.55839%0.394SS*.THydrogen-bonded Turntrans-62.5-25.6178.825.1-34.5000112.7Q224 V239P222-Q224 PolarHBondContact O-N 3.41Å; P222-V239 HydrophobicContact CG-CG2 4.06Å
223N87Confident91Very high53 Ų5371.6 Ų71.628%0.28338%0.382SS..THydrogen-bonded Turntrans-85.48175.3-57.8-38.9000113.1C221 C225 N245C221-N223 PolarHBondContact O-N 3.42Å; N223-C225 PolarHBondContact O-N 3.41Å; N223-C225 VanDerWaalsContact O-N 3.13Å; N223-N245 HydrophobicContact CB-CB 4.08Å
224Q86.6Confident91.2Very high171 Ų17168.5 Ų68.580%0.79937%0.37SS*.  trans48.444.9177.2-57.1179.422.500112.8C221 P222 G226C221-Q224 WeakPolarHBondContact O-CA 3.46Å; C221-Q224 PolarHBondContact O-N 3.09Å; P222-Q224 PolarHBondContact O-N 3.41Å; Q224-G226 PolarHBondContact O-N 3.41Å
225C87.9Confident91.1Very high29 Ų2970.5 Ų70.520%0.19638%0.381CS..  trans-74.9-1-176.270.90000114.7C221 N223 T227 H238 N245C221-C225 VanDerWaalsContact CB-SG 3.53Å; C221-C225 VanDerWaalsContact SG-SG 3.62Å; N223-C225 PolarHBondContact O-N 3.41Å; N223-C225 VanDerWaalsContact O-N 3.13Å; C225-T227 PolarHBondContact O-N 2.96Å; C225-T227 PolarHBondContact SG-OG1 3.2Å; C225-H238 VanDerWaalsContact SG-CE1 3.55Å; C225-H238 PolarHBondContact SG-NE2 2.92Å; C225-N245 WeakPolarHBondContact CA-ND2 3.44Å; C225-N245 HydrophobicContact CB-CB 3.97Å
226G86.4Confident91.1Very high65 Ų6571.1 Ų71.167%0.6739%0.391SS*.  trans75.2-0.818000000115.4Q224 P228Q224-G226 PolarHBondContact O-N 3.41Å; G226-P228 VanDerWaalsContact O-CD 3.31Å; G226-P228 WeakPolarHBondContact O-CD 3.41Å
227T88.4Confident91Very high59 Ų5969.1 Ų69.136%0.36239%0.39SS..  trans-68.6117.9176-55.40000110.2C225 I230C225-T227 PolarHBondContact O-N 2.96Å; C225-T227 PolarHBondContact SG-OG1 3.2Å; T227-I230 HydrophobicContact CG2-CD1 4.27Å; T227-I230 HydrophobicContact CG2-CG1 4.02Å
228P88.5Confident90.9Very high91 Ų9167.3 Ų67.359%0.59138%0.382SS*.  trans-78.1160.5179.332.8-34.7000111.4G226 I230G226-P228 VanDerWaalsContact O-CD 3.31Å; G226-P228 WeakPolarHBondContact O-CD 3.41Å; P228-I230 PolarHBondContact O-N 3.47Å
229N89.1Confident90.7Very high131 Ų13167.2 Ų67.270%0.70138%0.381SS*.  trans58.835.6165.5-58.8-37.9000116.7A231N229-A231 PolarHBondContact O-N 3.47Å
230I91.9Very high90.4Very high12 Ų1273.7 Ų73.76%0.06241%0.407CS..EExtended strand (participates in β ladder)trans-71.9118.1172.6-56.3164.9000108.4P218 V219 C221 T227 P228 L235 H238P218-I230 CarbonylContact C-O 3.56Å; P218-I230 WeakPolarHBondContact CA-O 3.49Å; V219-I230 WeakPolarHBondContact CG2-O 3.27Å; V219-I230 PolarHBondContact N-O 3.48Å; C221-I230 HydrophobicContact CB-CD1 3.76Å; T227-I230 HydrophobicContact CG2-CD1 4.27Å; T227-I230 HydrophobicContact CG2-CG1 4.02Å; P228-I230 PolarHBondContact O-N 3.47Å; I230-L235 HydrophobicContact CG2-CB 4.25Å; I230-L235 HydrophobicContact CG2-CD1 4.06Å; I230-H238 HydrophobicContact CG2-CB 4.16Å
231A93.7Very high90.1Very high13 Ų1370.5 Ų70.511%0.10740%0.395CS..EExtended strand (participates in β ladder)trans-63.7142172.100000110N229 E233 D234 L235N229-A231 PolarHBondContact O-N 3.47Å; A231-E233 HydrophobicContact CB-CG 4.32Å; A231-E233 PolarHBondContact O-N 3.18Å; A231-D234 HydrophobicContact CB-CB 4.38Å; A231-D234 PolarHBondContact O-N 3.35Å; A231-L235 PolarHBondContact O-N 3.14Å; A231-L235 VanDerWaalsContact O-N 3.16Å
232R93.9Very high89.9Confident104 Ų10476.2 Ų76.239%0.39243%0.425SS..G310 helixtrans-51.9-41.7-179.6-176.4-176.2-66-91.60.9112.9Y212 P215 F217 V219 D234 L235Y212-R232 VanDerWaalsContact O-CZ 3.25Å; Y212-R232 PolarHBondContact O-NH2 3Å; P215-R232 WeakPolarHBondContact O-CB 3.42Å; P215-R232 PolarHBondContact O-N 3.46Å; F217-R232 PolarHBondContact O-N 2.62Å; V219-R232 HydrophobicContact CG1-CB 4.08Å; V219-R232 HydrophobicContact CG1-CG 4.37Å; V219-R232 HydrophobicContact CG2-CB 4.41Å; R232-D234 VanDerWaalsContact C-N 3.28Å; R232-D234 PolarHBondContact O-N 2.84Å; R232-L235 WeakPolarHBondContact O-CB 3.33Å; R232-L235 PolarHBondContact O-N 2.86Å
233E93.4Very high89.9Confident87 Ų8772.1 Ų72.141%0.40740%0.399SS..G310 helixtrans-65.2-30.1177.665.1-172.4-177.800113.5P215 R216 A231P215-E233 HydrophobicContact CB-CB 4.11Å; P215-E233 HydrophobicContact CB-CG 4.36Å; P215-E233 VanDerWaalsContact CB-OE2 3.26Å; P215-E233 WeakPolarHBondContact CB-OE2 3.36Å; P215-E233 PolarHBondContact O-N 3.47Å; R216-E233 IonicContact CZ-OE1 2.68Å; R216-E233 IonicContact NE-OE1 2.69Å; R216-E233 PolarHBondContact NE-OE1 3.13Å; R216-E233 IonicContact NH2-OE1 3.75Å; R216-E233 PolarHBondContact NH2-OE1 3.28Å; A231-E233 HydrophobicContact CB-CG 4.32Å; A231-E233 PolarHBondContact O-N 3.18Å
234D93.9Very high89.8Confident73 Ų7370.5 Ų70.539%0.3940%0.395SS..G310 helixtrans-88.3-8.8-178.7-64.8-40.7000113.1A231 R232 A236 N237 H238A231-D234 HydrophobicContact CB-CB 4.38Å; A231-D234 PolarHBondContact O-N 3.35Å; R232-D234 VanDerWaalsContact C-N 3.28Å; R232-D234 PolarHBondContact O-N 2.84Å; D234-A236 VanDerWaalsContact C-N 3.31Å; D234-A236 PolarHBondContact O-N 3.36Å; D234-N237 PolarHBondContact O-N 3.42Å; D234-H238 WeakPolarHBondContact O-CB 3.45Å; D234-H238 PolarHBondContact O-N 2.82Å
235L92.3Very high90Very high43 Ų4365.2 Ų65.223%0.22537%0.372CS..Hα-helixtrans-58.3-41.7-173.8-178.662.7000112.7V219 I230 A231 R232 H238 V239V219-L235 HydrophobicContact CG2-CB 4.17Å; V219-L235 HydrophobicContact CG2-CD1 4.24Å; V219-L235 HydrophobicContact CG2-CD2 3.95Å; V219-L235 HydrophobicContact CG2-CG 4.34Å; I230-L235 HydrophobicContact CG2-CB 4.25Å; I230-L235 HydrophobicContact CG2-CD1 4.06Å; A231-L235 PolarHBondContact O-N 3.14Å; A231-L235 VanDerWaalsContact O-N 3.16Å; R232-L235 WeakPolarHBondContact O-CB 3.33Å; R232-L235 PolarHBondContact O-N 2.86Å; L235-H238 PolarHBondContact O-N 3.14Å; L235-V239 HydrophobicContact CD1-CG2 4.24Å; L235-V239 WeakPolarHBondContact O-CG2 3.36Å; L235-V239 PolarHBondContact O-N 3.43Å
236A91.5Very high90Very high71 Ų7164.4 Ų64.459%0.58737%0.367SS*.Hα-helixtrans-63.3-46.2179.800000111.6D234 V239 K240D234-A236 VanDerWaalsContact C-N 3.31Å; D234-A236 PolarHBondContact O-N 3.36Å; A236-V239 PolarHBondContact O-N 3.34Å; A236-K240 WeakPolarHBondContact O-CB 3.34Å; A236-K240 PolarHBondContact O-N 3.45Å; A236-K240 VanDerWaalsContact O-N 3.07Å
237N91.7Very high90.2Very high92 Ų9266.8 Ų66.849%0.49236%0.364SS..Hα-helixtrans-66.4-40.7177.9-65.1-22.5000111D234 K240 D241D234-N237 PolarHBondContact O-N 3.42Å; N237-K240 PolarHBondContact O-N 3.47Å; N237-D241 PolarHBondContact O-N 3.19Å
238H91.9Very high90.4Very high16 Ų1666.1 Ų66.17%0.07436%0.36CS..Iπ-helixtrans-56.2-53.3172.8168.584000111.4C221 C225 I230 D234 L235 K240 N242 C243C221-H238 PolarHBondContact SG-NE2 3.33Å; C221-H238 VanDerWaalsContact SG-NE2 3.38Å; C225-H238 VanDerWaalsContact SG-CE1 3.55Å; C225-H238 PolarHBondContact SG-NE2 2.92Å; I230-H238 HydrophobicContact CG2-CB 4.16Å; D234-H238 WeakPolarHBondContact O-CB 3.45Å; D234-H238 PolarHBondContact O-N 2.82Å; L235-H238 PolarHBondContact O-N 3.14Å; H238-K240 VanDerWaalsContact C-N 3.28Å; H238-K240 PolarHBondContact O-N 3.49Å; H238-N242 CarbonylContact O-C 3.53Å; H238-N242 PolarHBondContact O-N 3.24Å; H238-C243 VanDerWaalsContact O-CB 3.28Å; H238-C243 WeakPolarHBondContact O-CB 3.14Å; H238-C243 PolarHBondContact O-N 3.02Å
239V89.3Confident90.7Very high42 Ų4266.7 Ų66.726%0.25536%0.357SS..Iπ-helixtrans-60.1-39.6-177.9170.50000111.6P222 L235 A236 A246P222-V239 HydrophobicContact CG-CG2 4.06Å; L235-V239 HydrophobicContact CD1-CG2 4.24Å; L235-V239 WeakPolarHBondContact O-CG2 3.36Å; L235-V239 PolarHBondContact O-N 3.43Å; A236-V239 PolarHBondContact O-N 3.34Å; V239-A246 WeakPolarHBondContact O-CB 3.48Å
240K86.7Confident90.9Very high157 Ų15760.5 Ų60.568%0.68332%0.324SS*.Iπ-helixtrans-72.7-51.9-177.6-171.6-171.6173.3-171.60112.8A236 N237 H238A236-K240 WeakPolarHBondContact O-CB 3.34Å; A236-K240 PolarHBondContact O-N 3.45Å; A236-K240 VanDerWaalsContact O-N 3.07Å; N237-K240 PolarHBondContact O-N 3.47Å; H238-K240 VanDerWaalsContact C-N 3.28Å; H238-K240 PolarHBondContact O-N 3.49Å
241D86.4Confident91.1Very high82 Ų8264.1 Ų64.144%0.43935%0.349SS..Iπ-helixtrans-105.2-36.9-163.3-58.8-43.9000112.3N237 K263N237-D241 PolarHBondContact O-N 3.19Å; D241-K263 PolarHBondContact O-NZ 3.49Å
242N86.4Confident91.1Very high123 Ų12366.5 Ų66.566%0.65836%0.356SS*.Iπ-helixtrans-108.9-18.9-167.2-59.1-43.2000114.5H238 G244H238-N242 CarbonylContact O-C 3.53Å; H238-N242 PolarHBondContact O-N 3.24Å; N242-G244 PolarHBondContact O-N 3.17Å
243C90Very high91.2Very high1 Ų166.7 Ų66.71%0.00736%0.36CS..  trans-77.3106.4-173.8-172.50000111.2C221 H238 N245 A246C221-C243 VanDerWaalsContact SG-SG 3.64Å; H238-C243 VanDerWaalsContact O-CB 3.28Å; H238-C243 WeakPolarHBondContact O-CB 3.14Å; H238-C243 PolarHBondContact O-N 3.02Å; C243-N245 PolarHBondContact O-N 2.9Å; C243-A246 HydrophobicContact CB-CB 4.01Å; C243-A246 WeakPolarHBondContact O-CB 3.45Å; C243-A246 PolarHBondContact O-N 3.33Å; C243-A246 VanDerWaalsContact O-N 3.13Å; C243-A246 PolarHBondContact SG-N 2.91Å
244G86.4Confident91.2Very high19 Ų1968.8 Ų68.820%0.19637%0.374CS..THydrogen-bonded Turntrans-62.5-23.9174.800000114.3N242 K263 L264N242-G244 PolarHBondContact O-N 3.17Å; G244-K263 WeakPolarHBondContact O-CB 3.28Å; G244-K263 PolarHBondContact O-N 3.03Å; G244-K263 VanDerWaalsContact O-N 3.14Å; G244-L264 WeakPolarHBondContact O-CG 3.2Å; G244-L264 PolarHBondContact O-N 3.39Å
245N89.9Confident91.1Very high60 Ų6065.6 Ų65.632%0.32136%0.358SS..THydrogen-bonded Turntrans-92.20.3176.8-76.3-3.1000114.1N223 C225 C243 L247N223-N245 HydrophobicContact CB-CB 4.08Å; C225-N245 WeakPolarHBondContact CA-ND2 3.44Å; C225-N245 HydrophobicContact CB-CB 3.97Å; C243-N245 PolarHBondContact O-N 2.9Å; N245-L247 PolarHBondContact O-N 3.19Å
246A89Confident91.2Very high11 Ų1165.6 Ų65.69%0.09137%0.368CS..SBendtrans-60.4132.517500000110.3V239 C243 V248 P262 K263V239-A246 WeakPolarHBondContact O-CB 3.48Å; C243-A246 HydrophobicContact CB-CB 4.01Å; C243-A246 WeakPolarHBondContact O-CB 3.45Å; C243-A246 PolarHBondContact O-N 3.33Å; C243-A246 VanDerWaalsContact O-N 3.13Å; C243-A246 PolarHBondContact SG-N 2.91Å; A246-V248 PolarHBondContact O-N 3.43Å; A246-P262 CarbonylContact O-C 3.54Å; A246-P262 WeakPolarHBondContact O-CA 3.44Å; A246-K263 PolarHBondContact O-N 3.38Å
247L89.9Confident91.4Very high116 Ų11663.1 Ų63.161%0.60735%0.346SS*.EExtended strand (participates in β ladder)trans-71.7120.9177.5-69176.1000109.7N245 C261 P262N245-L247 PolarHBondContact O-N 3.19Å; L247-C261 WeakPolarHBondContact CA-O 3.42Å; L247-P262 HydrophobicContact CD2-CG 4.32Å
248V91.8Very high91.5Very high45 Ų4568.2 Ų68.227%0.27336%0.364SS..EExtended strand (participates in β ladder)trans-115.7149.6176.8-61.80000110.2A246 R260 C261 K263 I266A246-V248 PolarHBondContact O-N 3.43Å; V248-R260 VanDerWaalsContact O-CA 3.27Å; V248-R260 WeakPolarHBondContact O-CA 3.45Å; V248-C261 WeakPolarHBondContact CG2-O 3.49Å; V248-C261 PolarHBondContact N-O 2.97Å; V248-C261 PolarHBondContact O-N 3Å; V248-C261 VanDerWaalsContact O-N 3.09Å; V248-K263 HydrophobicContact CG1-CB 4.09Å; V248-K263 HydrophobicContact CG1-CG 4.39Å; V248-K263 HydrophobicContact CG2-CB 4.43Å; V248-I266 HydrophobicContact CG2-CB 4.14Å; V248-I266 HydrophobicContact CG2-CD1 4.35Å; V248-I266 HydrophobicContact CG2-CG1 4.29Å
249L94.5Very high91.6Very high103 Ų10371.2 Ų71.254%0.53938%0.378SS..EExtended strand (participates in β ladder)trans-82.6150.1171.4-64.7174.4000109.9K253 R260L249-K253 HydrophobicContact CB-CD 4.41Å; L249-K253 HydrophobicContact CD1-CD 4.17Å; L249-R260 HydrophobicContact CD2-CB 3.97Å
250C95.3Very high91.9Very high1 Ų178 Ų781%0.00740%0.399CS..  trans-59136172.6-178.70000111.5F252 K253 C257 H259 H269 H277C250-F252 PolarHBondContact O-N 3.38Å; C250-F252 VanDerWaalsContact O-N 3.11Å; C250-F252 PolarHBondContact SG-N 3.07Å; C250-K253 WeakPolarHBondContact O-CB 3.41Å; C250-K253 PolarHBondContact O-N 3.29Å; C250-C257 HydrophobicContact CB-CB 4.19Å; C250-H259 HydrophobicContact CB-CB 4.29Å; C250-H259 PolarHBondContact N-O 2.95Å; C250-H269 PolarHBondContact SG-NE2 2.94Å; C250-H269 VanDerWaalsContact SG-NE2 3.41Å; C250-H277 VanDerWaalsContact SG-CE1 3.55Å; C250-H277 PolarHBondContact SG-NE2 3.21Å
251P94.6Very high92.1Very high88 Ų8871 Ų7157%0.57137%0.37SS*.G310 helixtrans-53.6-27.4173.7-28.234.1000114.6K253 L270P251-K253 PolarHBondContact O-N 3.37Å; P251-L270 HydrophobicContact CG-CD1 4.45Å; P251-L270 HydrophobicContact CG-CD2 4.4Å
252F95.2Very high92.3Very high62 Ų6269.4 Ų69.427%0.27236%0.364SS..G310 helixtrans-83.618.3177-67.3-90.1000113.7C250 D254 A255 G256 C257 L270 H277 M281C250-F252 PolarHBondContact O-N 3.38Å; C250-F252 VanDerWaalsContact O-N 3.11Å; C250-F252 PolarHBondContact SG-N 3.07Å; F252-D254 VanDerWaalsContact C-N 3.28Å; F252-D254 PolarHBondContact O-N 2.97Å; F252-A255 HydrophobicContact CB-CB 4.48Å; F252-A255 CarbonylContact O-C 3.59Å; F252-A255 PolarHBondContact O-N 3.28Å; F252-A255 VanDerWaalsContact O-N 3.15Å; F252-G256 PolarHBondContact O-N 3.16Å; F252-G256 VanDerWaalsContact O-N 3.1Å; F252-C257 HydrophobicContact CB-CB 3.94Å; F252-C257 WeakPolarHBondContact O-CB 3.34Å; F252-C257 PolarHBondContact O-N 2.85Å; F252-L270 HydrophobicContact CD2-CD2 4.05Å; F252-L270 HydrophobicContact CE2-CD2 4.04Å; F252-H277 HydrophobicContact CD1-CB 3.96Å; F252-H277 HydrophobicContact CD2-CB 3.95Å; F252-H277 AromaticContact CD2-CD2 3.84Å; F252-H277 AromaticContact CD2-CE1 3.94Å; F252-H277 AromaticContact CD2-CG 3.55Å; F252-H277 AromaticContact CD2-ND1 3.62Å; F252-H277 HydrophobicContact CE1-CB 4.05Å; F252-H277 HydrophobicContact CE2-CB 4.03Å; F252-H277 AromaticContact CE2-CG 3.99Å; F252-H277 AromaticContact CE2-ND1 3.91Å; F252-H277 HydrophobicContact CG-CB 3.91Å; F252-H277 AromaticContact CG-CD2 3.75Å; F252-H277 AromaticContact CG-CG 3.74Å; F252-H277 HydrophobicContact CZ-CB 4.08Å; F252-M281 HydrophobicContact CD1-CG 3.87Å; F252-M281 HydrophobicContact CD1-SD 3.76Å; F252-M281 HydrophobicContact CE1-CG 3.64Å; F252-M281 HydrophobicContact CE1-SD 3.88Å
253K95.3Very high92.5Very high109 Ų10967.9 Ų67.947%0.47435%0.352SS..G310 helixtrans-56.2-39.518067.6179.6-172176.60113.3L249 C250 P251 A255 G256 C257L249-K253 HydrophobicContact CB-CD 4.41Å; L249-K253 HydrophobicContact CD1-CD 4.17Å; C250-K253 WeakPolarHBondContact O-CB 3.41Å; C250-K253 PolarHBondContact O-N 3.29Å; P251-K253 PolarHBondContact O-N 3.37Å; K253-A255 VanDerWaalsContact C-N 3.3Å; K253-A255 PolarHBondContact O-N 3.38Å; K253-G256 WeakPolarHBondContact O-CA 3.22Å; K253-G256 PolarHBondContact O-N 2.93Å; K253-C257 VanDerWaalsContact CA-O 3.31Å; K253-C257 WeakPolarHBondContact CA-O 3.42Å
254D92.5Very high92.4Very high130 Ų13074.2 Ų74.270%0.69539%0.385SS*.THydrogen-bonded Turntrans-76.4-24.4-177-57.4-43.3000111.2F252 G256F252-D254 VanDerWaalsContact C-N 3.28Å; F252-D254 PolarHBondContact O-N 2.97Å; D254-G256 VanDerWaalsContact C-N 3.28Å
255A93.4Very high92.8Very high7 Ų774.5 Ų74.56%0.05839%0.385CS..THydrogen-bonded Turntrans-77.8-12.7167.200000112.9F252 K253 L280 M281 L284F252-A255 HydrophobicContact CB-CB 4.48Å; F252-A255 CarbonylContact O-C 3.59Å; F252-A255 PolarHBondContact O-N 3.28Å; F252-A255 VanDerWaalsContact O-N 3.15Å; K253-A255 VanDerWaalsContact C-N 3.3Å; K253-A255 PolarHBondContact O-N 3.38Å; A255-L280 HydrophobicContact CB-CB 4.09Å; A255-M281 HydrophobicContact CB-SD 3.69Å; A255-L284 HydrophobicContact CB-CD2 4.19Å
256G92.8Very high92.9Very high42 Ų4272.8 Ų72.843%0.43338%0.376SS..THydrogen-bonded Turntrans121.82172.900000116.1F252 K253 D254 K258F252-G256 PolarHBondContact O-N 3.16Å; F252-G256 VanDerWaalsContact O-N 3.1Å; K253-G256 WeakPolarHBondContact O-CA 3.22Å; K253-G256 PolarHBondContact O-N 2.93Å; D254-G256 VanDerWaalsContact C-N 3.28Å; G256-K258 PolarHBondContact O-N 3.4Å
257C96.1Very high93.1Very high19 Ų1975.5 Ų75.513%0.12839%0.394CS..  trans-75117.7-179.8-172.90000111.9C250 F252 K253 H277 L280C250-C257 HydrophobicContact CB-CB 4.19Å; F252-C257 HydrophobicContact CB-CB 3.94Å; F252-C257 WeakPolarHBondContact O-CB 3.34Å; F252-C257 PolarHBondContact O-N 2.85Å; K253-C257 VanDerWaalsContact CA-O 3.31Å; K253-C257 WeakPolarHBondContact CA-O 3.42Å; C257-H277 PolarHBondContact SG-NE2 2.76Å; C257-L280 HydrophobicContact CB-CD1 4.05Å
258K94.6Very high93.4Very high199 Ų19977.1 Ų77.187%0.86539%0.392SS*.  trans-91.47.4-178.6-59-176.4-177179.10114.1G256G256-K258 PolarHBondContact O-N 3.4Å
259H94.2Very high93.5Very high79 Ų7975.7 Ų75.737%0.36638%0.382SS..  trans-70.2140.7-174.2-165.479.2000111.8C250 H269C250-H259 HydrophobicContact CB-CB 4.29Å; C250-H259 PolarHBondContact N-O 2.95Å; H259-H269 AromaticContact CD2-CD2 3.66Å; H259-H269 AromaticContact CD2-CE1 3.6Å; H259-H269 AromaticContact CD2-CG 3.45Å; H259-H269 VanDerWaalsContact CD2-CG 3.45Å; H259-H269 AromaticContact CD2-ND1 3.41Å; H259-H269 PolarHBondContact CD2-ND1 3.34Å; H259-H269 AromaticContact CD2-NE2 3.74Å; H259-H269 AromaticContact CG-CE1 3.48Å; H259-H269 VanDerWaalsContact CG-CE1 3.48Å; H259-H269 AromaticContact CG-ND1 3.67Å; H259-H269 AromaticContact CG-NE2 3.81Å; H259-H269 AromaticContact NE2-CG 3.86Å; H259-H269 AromaticContact NE2-ND1 3.75Å
260R94.1Very high93.6Very high184 Ų18473.2 Ų73.269%0.69437%0.369SS*.EExtended strand (participates in β ladder)trans-137.7133175.170.2-173.6179.9-163.5-1109.6V248 L249V248-R260 VanDerWaalsContact O-CA 3.27Å; V248-R260 WeakPolarHBondContact O-CA 3.45Å; L249-R260 HydrophobicContact CD2-CB 3.97Å
261C91.4Very high93.6Very high12 Ų1280 Ų808%0.08140%0.401CS..EExtended strand (participates in β ladder)trans-154.1167-177.861.10000110.8L247 V248 A265L247-C261 WeakPolarHBondContact CA-O 3.42Å; V248-C261 WeakPolarHBondContact CG2-O 3.49Å; V248-C261 PolarHBondContact N-O 2.97Å; V248-C261 PolarHBondContact O-N 3Å; V248-C261 VanDerWaalsContact O-N 3.09Å; C261-A265 HydrophobicContact CB-CB 4.36Å
262P91.5Very high93.6Very high47 Ų4782.1 Ų82.131%0.30540%0.403SS..EExtended strand (participates in β ladder)trans-53.2143.2170.4-29.738.4000112.2A246 L247 L264 A265 I266A246-P262 CarbonylContact O-C 3.54Å; A246-P262 WeakPolarHBondContact O-CA 3.44Å; L247-P262 HydrophobicContact CD2-CG 4.32Å; P262-L264 PolarHBondContact O-N 3.21Å; P262-L264 VanDerWaalsContact O-N 3.14Å; P262-A265 HydrophobicContact CB-CB 4.38Å; P262-A265 WeakPolarHBondContact O-CA 3.44Å; P262-A265 WeakPolarHBondContact O-CB 3.34Å; P262-A265 PolarHBondContact O-N 3.28Å; P262-I266 PolarHBondContact O-N 2.91Å
263K89.2Confident93.6Very high92 Ų9281.1 Ų81.140%0.440%0.402SS..G310 helixtrans-51.6-37.7179.5-173.1177.8179.1177.40112.9D241 G244 A246 V248 A265 I266D241-K263 PolarHBondContact O-NZ 3.49Å; G244-K263 WeakPolarHBondContact O-CB 3.28Å; G244-K263 PolarHBondContact O-N 3.03Å; G244-K263 VanDerWaalsContact O-N 3.14Å; A246-K263 PolarHBondContact O-N 3.38Å; V248-K263 HydrophobicContact CG1-CB 4.09Å; V248-K263 HydrophobicContact CG1-CG 4.39Å; V248-K263 HydrophobicContact CG2-CB 4.43Å; K263-A265 VanDerWaalsContact C-N 3.28Å; K263-A265 PolarHBondContact O-N 3.13Å; K263-I266 WeakPolarHBondContact O-CG2 3.44Å; K263-I266 PolarHBondContact O-N 3.13Å
264L89.6Confident93.6Very high134 Ų13479.1 Ų79.170%0.70240%0.399SS*.G310 helixtrans-67.7-25.5176.1-71.9167.3000113.9G244 P262G244-L264 WeakPolarHBondContact O-CG 3.2Å; G244-L264 PolarHBondContact O-N 3.39Å; P262-L264 PolarHBondContact O-N 3.21Å; P262-L264 VanDerWaalsContact O-N 3.14Å
265A93.2Very high93.7Very high25 Ų2581.5 Ų81.521%0.20740%0.403CS..G310 helixtrans-90.8-8.2-178.400000113.3C261 P262 K263 S267 R268 H269C261-A265 HydrophobicContact CB-CB 4.36Å; P262-A265 HydrophobicContact CB-CB 4.38Å; P262-A265 WeakPolarHBondContact O-CA 3.44Å; P262-A265 WeakPolarHBondContact O-CB 3.34Å; P262-A265 PolarHBondContact O-N 3.28Å; K263-A265 VanDerWaalsContact C-N 3.28Å; K263-A265 PolarHBondContact O-N 3.13Å; A265-S267 PolarHBondContact O-N 3.26Å; A265-R268 PolarHBondContact O-N 2.94Å; A265-H269 PolarHBondContact O-N 3.4Å
266I93.7Very high93.7Very high24 Ų2484.6 Ų84.612%0.12343%0.425CS..Hα-helixtrans-65.7-39.8-174-165.662.2000112.5V248 P262 K263 R268 H269 L270V248-I266 HydrophobicContact CG2-CB 4.14Å; V248-I266 HydrophobicContact CG2-CD1 4.35Å; V248-I266 HydrophobicContact CG2-CG1 4.29Å; P262-I266 PolarHBondContact O-N 2.91Å; K263-I266 WeakPolarHBondContact O-CG2 3.44Å; K263-I266 PolarHBondContact O-N 3.13Å; I266-R268 VanDerWaalsContact C-N 3.31Å; I266-R268 PolarHBondContact O-N 3.21Å; I266-H269 WeakPolarHBondContact O-CB 3.26Å; I266-H269 PolarHBondContact O-N 2.92Å; I266-L270 HydrophobicContact CG1-CD1 4.36Å; I266-L270 HydrophobicContact CG1-CG 4.38Å; I266-L270 WeakPolarHBondContact O-CG 3.45Å; I266-L270 PolarHBondContact O-N 2.78Å
267S93.1Very high93.9Very high68 Ų6882.8 Ų82.848%0.47641%0.405SS..Hα-helixtrans-59.7-44.4-179.8-540000111.1A265 H269 L270 E271A265-S267 PolarHBondContact O-N 3.26Å; S267-H269 PolarHBondContact O-N 3.43Å; S267-L270 PolarHBondContact O-N 3.45Å; S267-E271 WeakPolarHBondContact O-CG 3.46Å; S267-E271 PolarHBondContact O-N 2.82Å
268R94.9Very high93.9Very high149 Ų14986.9 Ų86.956%0.56243%0.425SS*.Hα-helixtrans-61.3-45.6175.5-176.8176.366.1122.8-3.8112.2A265 I266 L270 E271 E272A265-R268 PolarHBondContact O-N 2.94Å; I266-R268 VanDerWaalsContact C-N 3.31Å; I266-R268 PolarHBondContact O-N 3.21Å; R268-L270 VanDerWaalsContact C-N 3.33Å; R268-L270 PolarHBondContact O-N 3.34Å; R268-E271 PolarHBondContact O-N 3.27Å; R268-E272 WeakPolarHBondContact CD-OE1 3.34Å; R268-E272 HydrophobicContact CG-CG 4.23Å; R268-E272 WeakPolarHBondContact CG-OE1 3.38Å; R268-E272 IonicContact NH1-OE1 3.15Å; R268-E272 WeakPolarHBondContact O-CB 3.49Å; R268-E272 WeakPolarHBondContact O-CG 3.49Å; R268-E272 PolarHBondContact O-N 2.67Å
269H95.3Very high93.9Very high16 Ų1681.3 Ų81.37%0.07441%0.408CS..Hα-helixtrans-58.2-45.3175.5164.466.7000111.7C250 H259 A265 I266 S267 E271 E272 T273 H277C250-H269 PolarHBondContact SG-NE2 2.94Å; C250-H269 VanDerWaalsContact SG-NE2 3.41Å; H259-H269 AromaticContact CD2-CD2 3.66Å; H259-H269 AromaticContact CD2-CE1 3.6Å; H259-H269 AromaticContact CD2-CG 3.45Å; H259-H269 VanDerWaalsContact CD2-CG 3.45Å; H259-H269 AromaticContact CD2-ND1 3.41Å; H259-H269 PolarHBondContact CD2-ND1 3.34Å; H259-H269 AromaticContact CD2-NE2 3.74Å; H259-H269 AromaticContact CG-CE1 3.48Å; H259-H269 VanDerWaalsContact CG-CE1 3.48Å; H259-H269 AromaticContact CG-ND1 3.67Å; H259-H269 AromaticContact CG-NE2 3.81Å; H259-H269 AromaticContact NE2-CG 3.86Å; H259-H269 AromaticContact NE2-ND1 3.75Å; A265-H269 PolarHBondContact O-N 3.4Å; I266-H269 WeakPolarHBondContact O-CB 3.26Å; I266-H269 PolarHBondContact O-N 2.92Å; S267-H269 PolarHBondContact O-N 3.43Å; H269-E271 VanDerWaalsContact C-N 3.35Å; H269-E271 PolarHBondContact O-N 2.85Å; H269-E272 PolarHBondContact O-N 3.09Å; H269-T273 PolarHBondContact CE1-OG1 3.27Å; H269-T273 PolarHBondContact ND1-OG1 3.45Å; H269-T273 WeakPolarHBondContact O-CB 3.46Å; H269-T273 PolarHBondContact O-N 3.27Å; H269-T273 PolarHBondContact O-OG1 3.13Å; H269-H277 AromaticContact CE1-CE1 3.94Å; H269-H277 AromaticContact NE2-CE1 3.41Å; H269-H277 PolarHBondContact NE2-CE1 2.82Å; H269-H277 AromaticContact NE2-NE2 3.56Å
270L95Very high94Very high50 Ų5079.5 Ų79.526%0.26240%0.401SS..Hα-helixtrans-60-45.1179.5-71.3176.3000111.5P251 F252 I266 S267 R268 T274P251-L270 HydrophobicContact CG-CD1 4.45Å; P251-L270 HydrophobicContact CG-CD2 4.4Å; F252-L270 HydrophobicContact CD2-CD2 4.05Å; F252-L270 HydrophobicContact CE2-CD2 4.04Å; I266-L270 HydrophobicContact CG1-CD1 4.36Å; I266-L270 HydrophobicContact CG1-CG 4.38Å; I266-L270 WeakPolarHBondContact O-CG 3.45Å; I266-L270 PolarHBondContact O-N 2.78Å; S267-L270 PolarHBondContact O-N 3.45Å; R268-L270 VanDerWaalsContact C-N 3.33Å; R268-L270 PolarHBondContact O-N 3.34Å; L270-T274 PolarHBondContact O-N 3.06Å; L270-T274 PolarHBondContact O-OG1 3.08Å
271E95.3Very high94.1Very high145 Ų14574 Ų7468%0.67838%0.384SS*.Hα-helixtrans-63-53.2177.3-71.5169-164.700111.6S267 R268 H269 T273 T274S267-E271 WeakPolarHBondContact O-CG 3.46Å; S267-E271 PolarHBondContact O-N 2.82Å; R268-E271 PolarHBondContact O-N 3.27Å; H269-E271 VanDerWaalsContact C-N 3.35Å; H269-E271 PolarHBondContact O-N 2.85Å; E271-T273 VanDerWaalsContact C-N 3.28Å; E271-T273 PolarHBondContact O-N 3Å; E271-T274 PolarHBondContact O-N 2.99Å; E271-T274 PolarHBondContact O-OG1 3.43Å
272E95.4Very high94.2Very high131 Ų13177.7 Ų77.761%0.61241%0.408SS*.Hα-helixtrans-64.5-29.7-176.1-71.5174.1178.400113.1R268 H269R268-E272 WeakPolarHBondContact CD-OE1 3.34Å; R268-E272 HydrophobicContact CG-CG 4.23Å; R268-E272 WeakPolarHBondContact CG-OE1 3.38Å; R268-E272 IonicContact NH1-OE1 3.15Å; R268-E272 WeakPolarHBondContact O-CB 3.49Å; R268-E272 WeakPolarHBondContact O-CG 3.49Å; R268-E272 PolarHBondContact O-N 2.67Å; H269-E272 PolarHBondContact O-N 3.09Å
273T94.9Very high94.3Very high41 Ų4179.9 Ų79.925%0.25242%0.418SS..THydrogen-bonded Turntrans-109.512.3-174.364.10000114.5H269 E271 K275 S276 H277H269-T273 PolarHBondContact CE1-OG1 3.27Å; H269-T273 PolarHBondContact ND1-OG1 3.45Å; H269-T273 WeakPolarHBondContact O-CB 3.46Å; H269-T273 PolarHBondContact O-N 3.27Å; H269-T273 PolarHBondContact O-OG1 3.13Å; E271-T273 VanDerWaalsContact C-N 3.28Å; E271-T273 PolarHBondContact O-N 3Å; T273-K275 VanDerWaalsContact C-N 3.28Å; T273-K275 PolarHBondContact O-N 3.2Å; T273-K275 VanDerWaalsContact O-N 3.13Å; T273-S276 WeakPolarHBondContact O-CB 3.47Å; T273-S276 PolarHBondContact O-N 3.29Å; T273-H277 PolarHBondContact O-N 3.31Å; T273-H277 VanDerWaalsContact O-N 3.09Å; T273-H277 PolarHBondContact OG1-CE1 3.23Å; T273-H277 PolarHBondContact OG1-ND1 3.35Å
274T95.4Very high94.6Very high68 Ų6877.2 Ų77.242%0.41741%0.408SS..Hα-helixtrans-47.3-46.8-178.1-58.30000113.2L270 E271 S276 H277 L278L270-T274 PolarHBondContact O-N 3.06Å; L270-T274 PolarHBondContact O-OG1 3.08Å; E271-T274 PolarHBondContact O-N 2.99Å; E271-T274 PolarHBondContact O-OG1 3.43Å; T274-S276 PolarHBondContact O-N 3.17Å; T274-H277 PolarHBondContact O-N 3.14Å; T274-L278 HydrophobicContact CG2-CD1 4.16Å; T274-L278 HydrophobicContact CG2-CG 4.42Å; T274-L278 WeakPolarHBondContact O-CG 3.21Å; T274-L278 PolarHBondContact O-N 3.26Å
275K94.9Very high94.8Very high179 Ų17974.8 Ų74.878%0.77840%0.398SS*.Hα-helixtrans-60.7-42.7-179.4-68.8-178.8-180177.70112.4T273 L278 T279T273-K275 VanDerWaalsContact C-N 3.28Å; T273-K275 PolarHBondContact O-N 3.2Å; T273-K275 VanDerWaalsContact O-N 3.13Å; K275-L278 PolarHBondContact O-N 3.26Å; K275-T279 PolarHBondContact O-N 3.31Å; K275-T279 VanDerWaalsContact O-N 3.1Å; K275-T279 PolarHBondContact O-OG1 2.99Å
276S94.1Very high94.8Very high73 Ų7375.5 Ų75.551%0.5141%0.408SS..Hα-helixtrans-65.2-43.1177.7-178.60000111.1T273 T274 L278 T279 L280T273-S276 WeakPolarHBondContact O-CB 3.47Å; T273-S276 PolarHBondContact O-N 3.29Å; T274-S276 PolarHBondContact O-N 3.17Å; S276-L278 PolarHBondContact O-N 2.83Å; S276-T279 WeakPolarHBondContact O-CB 3.42Å; S276-T279 PolarHBondContact O-N 3.45Å; S276-L280 WeakPolarHBondContact O-CG 3.46Å; S276-L280 PolarHBondContact O-N 3.17Å
277H96.8Very high94.8Very high4 Ų481 Ų812%0.01943%0.427CS..Hα-helixtrans-61.7-41.2175.6-67.1147.4000112.4C250 F252 C257 H269 T273 T274 T279 L280 M281C250-H277 VanDerWaalsContact SG-CE1 3.55Å; C250-H277 PolarHBondContact SG-NE2 3.21Å; F252-H277 HydrophobicContact CD1-CB 3.96Å; F252-H277 HydrophobicContact CD2-CB 3.95Å; F252-H277 AromaticContact CD2-CD2 3.84Å; F252-H277 AromaticContact CD2-CE1 3.94Å; F252-H277 AromaticContact CD2-CG 3.55Å; F252-H277 AromaticContact CD2-ND1 3.62Å; F252-H277 HydrophobicContact CE1-CB 4.05Å; F252-H277 HydrophobicContact CE2-CB 4.03Å; F252-H277 AromaticContact CE2-CG 3.99Å; F252-H277 AromaticContact CE2-ND1 3.91Å; F252-H277 HydrophobicContact CG-CB 3.91Å; F252-H277 AromaticContact CG-CD2 3.75Å; F252-H277 AromaticContact CG-CG 3.74Å; F252-H277 HydrophobicContact CZ-CB 4.08Å; C257-H277 PolarHBondContact SG-NE2 2.76Å; H269-H277 AromaticContact CE1-CE1 3.94Å; H269-H277 AromaticContact NE2-CE1 3.41Å; H269-H277 PolarHBondContact NE2-CE1 2.82Å; H269-H277 AromaticContact NE2-NE2 3.56Å; T273-H277 PolarHBondContact O-N 3.31Å; T273-H277 VanDerWaalsContact O-N 3.09Å; T273-H277 PolarHBondContact OG1-CE1 3.23Å; T273-H277 PolarHBondContact OG1-ND1 3.35Å; T274-H277 PolarHBondContact O-N 3.14Å; H277-T279 VanDerWaalsContact C-N 3.35Å; H277-T279 PolarHBondContact O-N 3.1Å; H277-L280 WeakPolarHBondContact O-CB 3.46Å; H277-L280 PolarHBondContact O-N 2.83Å; H277-M281 WeakPolarHBondContact O-CG 3.44Å; H277-M281 PolarHBondContact O-N 2.78Å
278L95Very high94.8Very high105 Ų10582.3 Ų82.355%0.5543%0.426SS..Hα-helixtrans-61.9-40.9174.9-70.8174.2000112.1T274 K275 S276 M281 C282T274-L278 HydrophobicContact CG2-CD1 4.16Å; T274-L278 HydrophobicContact CG2-CG 4.42Å; T274-L278 WeakPolarHBondContact O-CG 3.21Å; T274-L278 PolarHBondContact O-N 3.26Å; K275-L278 PolarHBondContact O-N 3.26Å; S276-L278 PolarHBondContact O-N 2.83Å; L278-M281 PolarHBondContact O-N 2.8Å; L278-C282 PolarHBondContact O-N 3.47Å; L278-C282 PolarHBondContact O-SG 3.45Å; L278-C282 VanDerWaalsContact O-SG 3.38Å
279T95.8Very high94.8Very high81 Ų8183.9 Ų83.950%0.49743%0.432SS..Hα-helixtrans-61.8-43.6173.8-56.10000112K275 S276 H277 M281 C282 N283K275-T279 PolarHBondContact O-N 3.31Å; K275-T279 VanDerWaalsContact O-N 3.1Å; K275-T279 PolarHBondContact O-OG1 2.99Å; S276-T279 WeakPolarHBondContact O-CB 3.42Å; S276-T279 PolarHBondContact O-N 3.45Å; H277-T279 VanDerWaalsContact C-N 3.35Å; H277-T279 PolarHBondContact O-N 3.1Å; T279-M281 VanDerWaalsContact C-N 3.31Å; T279-M281 PolarHBondContact O-N 3.16Å; T279-C282 PolarHBondContact O-N 2.94Å; T279-N283 VanDerWaalsContact O-CG 3.26Å; T279-N283 PolarHBondContact O-N 3.44Å; T279-N283 PolarHBondContact O-ND2 3.3Å
280L95.7Very high94.7Very high41 Ų4187.9 Ų87.922%0.21545%0.451CS..Hα-helixtrans-59.8-42.1175.3-69.1175.7000111.6A255 C257 S276 H277 N283 L284A255-L280 HydrophobicContact CB-CB 4.09Å; C257-L280 HydrophobicContact CB-CD1 4.05Å; S276-L280 WeakPolarHBondContact O-CG 3.46Å; S276-L280 PolarHBondContact O-N 3.17Å; H277-L280 WeakPolarHBondContact O-CB 3.46Å; H277-L280 PolarHBondContact O-N 2.83Å; L280-N283 PolarHBondContact O-N 3.01Å; L280-L284 WeakPolarHBondContact O-CB 3.36Å; L280-L284 PolarHBondContact O-N 3.46Å
281M95.6Very high94.6Very high69 Ų6990.8 Ų90.834%0.3446%0.463SS..Hα-helixtrans-65-44.2176.6-69-54-61.700112.4F252 A255 H277 L278 T279 N283 L284 V285F252-M281 HydrophobicContact CD1-CG 3.87Å; F252-M281 HydrophobicContact CD1-SD 3.76Å; F252-M281 HydrophobicContact CE1-CG 3.64Å; F252-M281 HydrophobicContact CE1-SD 3.88Å; A255-M281 HydrophobicContact CB-SD 3.69Å; H277-M281 WeakPolarHBondContact O-CG 3.44Å; H277-M281 PolarHBondContact O-N 2.78Å; L278-M281 PolarHBondContact O-N 2.8Å; T279-M281 VanDerWaalsContact C-N 3.31Å; T279-M281 PolarHBondContact O-N 3.16Å; M281-N283 VanDerWaalsContact C-N 3.31Å; M281-N283 PolarHBondContact O-N 3.35Å; M281-L284 HydrophobicContact CE-CD2 4.44Å; M281-L284 PolarHBondContact O-N 3.27Å; M281-L284 HydrophobicContact SD-CD2 4.5Å; M281-V285 WeakPolarHBondContact O-CG2 3.35Å; M281-V285 PolarHBondContact O-N 3.43Å
282C94.7Very high94.5Very high89 Ų8988 Ų8860%0.60145%0.452SS*.Hα-helixtrans-59.1-42.7174.9-71.40000111.8L278 T279 V285 G286L278-C282 PolarHBondContact O-N 3.47Å; L278-C282 PolarHBondContact O-SG 3.45Å; L278-C282 VanDerWaalsContact O-SG 3.38Å; T279-C282 PolarHBondContact O-N 2.94Å; C282-V285 PolarHBondContact O-N 3.09Å; C282-G286 PolarHBondContact O-N 2.83Å
283N93.6Very high94.2Very high94 Ų9486 Ų8650%0.50345%0.445SS..Hα-helixtrans-66.2-40177-69.1-16.6000112.2T279 L280 M281 G286 R287T279-N283 VanDerWaalsContact O-CG 3.26Å; T279-N283 PolarHBondContact O-N 3.44Å; T279-N283 PolarHBondContact O-ND2 3.3Å; L280-N283 PolarHBondContact O-N 3.01Å; M281-N283 VanDerWaalsContact C-N 3.31Å; M281-N283 PolarHBondContact O-N 3.35Å; N283-G286 PolarHBondContact O-N 3.27Å; N283-R287 WeakPolarHBondContact O-CG 3.47Å; N283-R287 PolarHBondContact O-N 3.01Å
284L94Very high93.9Very high36 Ų3687.6 Ų87.619%0.18845%0.449CS..Hα-helixtrans-62.5-47.7175.5-179.663.9000111.1A255 L280 M281 G286 R287 Q288A255-L284 HydrophobicContact CB-CD2 4.19Å; L280-L284 WeakPolarHBondContact O-CB 3.36Å; L280-L284 PolarHBondContact O-N 3.46Å; M281-L284 HydrophobicContact CE-CD2 4.44Å; M281-L284 PolarHBondContact O-N 3.27Å; M281-L284 HydrophobicContact SD-CD2 4.5Å; L284-G286 VanDerWaalsContact C-N 3.33Å; L284-G286 PolarHBondContact O-N 3.1Å; L284-R287 PolarHBondContact O-N 3.01Å; L284-Q288 HydrophobicContact CD1-CG 4.47Å; L284-Q288 WeakPolarHBondContact O-CG 3.27Å; L284-Q288 PolarHBondContact O-N 2.95Å
285V94.6Very high93.6Very high83 Ų8389.5 Ų89.550%0.50346%0.456SS..Hα-helixtrans-62.6-41.1177.41720000111.3M281 C282 Q288 R289M281-V285 WeakPolarHBondContact O-CG2 3.35Å; M281-V285 PolarHBondContact O-N 3.43Å; C282-V285 PolarHBondContact O-N 3.09Å; V285-Q288 PolarHBondContact O-N 3.29Å; V285-R289 WeakPolarHBondContact O-CB 3.33Å; V285-R289 PolarHBondContact O-N 3.04Å
286G93.6Very high93.1Very high40 Ų4088.4 Ų88.441%0.41245%0.447SS..Hα-helixtrans-59.3-46.9175.200000112.5C282 N283 L284 R289 Q290C282-G286 PolarHBondContact O-N 2.83Å; N283-G286 PolarHBondContact O-N 3.27Å; L284-G286 VanDerWaalsContact C-N 3.33Å; L284-G286 PolarHBondContact O-N 3.1Å; G286-R289 PolarHBondContact O-N 2.85Å; G286-Q290 PolarHBondContact O-N 3.48Å; G286-Q290 VanDerWaalsContact O-N 3.15Å
287R92.4Very high92.5Very high140 Ų14091 Ų9153%0.52845%0.446SS..Hα-helixtrans-62.9-47.5175.9-73.9-172-65.4154.2-0.6112.3N283 L284 R289 Q290 E291N283-R287 WeakPolarHBondContact O-CG 3.47Å; N283-R287 PolarHBondContact O-N 3.01Å; L284-R287 PolarHBondContact O-N 3.01Å; R287-R289 VanDerWaalsContact C-N 3.29Å; R287-R289 PolarHBondContact O-N 3.1Å; R287-Q290 WeakPolarHBondContact O-CB 3.37Å; R287-Q290 PolarHBondContact O-N 3.3Å; R287-Q290 VanDerWaalsContact O-N 3.08Å; R287-E291 PolarHBondContact O-N 2.87Å
288Q94Very high91.7Very high95 Ų9595.3 Ų95.344%0.44447%0.466SS..Hα-helixtrans-59.8-39.3177.9-74.7177.9-27.400112.2L284 V285 Q290 E291 I292L284-Q288 HydrophobicContact CD1-CG 4.47Å; L284-Q288 WeakPolarHBondContact O-CG 3.27Å; L284-Q288 PolarHBondContact O-N 2.95Å; V285-Q288 PolarHBondContact O-N 3.29Å; Q288-Q290 VanDerWaalsContact C-N 3.32Å; Q288-Q290 PolarHBondContact O-N 2.75Å; Q288-E291 PolarHBondContact O-N 3.32Å; Q288-I292 WeakPolarHBondContact O-CD1 3.33Å; Q288-I292 VanDerWaalsContact O-CG1 3.24Å; Q288-I292 WeakPolarHBondContact O-CG1 3.32Å; Q288-I292 PolarHBondContact O-N 3.46Å
289R94.8Very high91Very high182 Ų18296.8 Ų96.869%0.68747%0.472SS*.Hα-helixtrans-62.3-40.8175.1-177.6178.8176.5-176.8-1.1111.8V285 G286 R287 I292 L293V285-R289 WeakPolarHBondContact O-CB 3.33Å; V285-R289 PolarHBondContact O-N 3.04Å; G286-R289 PolarHBondContact O-N 2.85Å; R287-R289 VanDerWaalsContact C-N 3.29Å; R287-R289 PolarHBondContact O-N 3.1Å; R289-I292 PolarHBondContact O-N 3.29Å; R289-L293 HydrophobicContact CG-CD1 4.43Å; R289-L293 WeakPolarHBondContact O-CG 3.2Å; R289-L293 PolarHBondContact O-N 3Å; R289-L293 VanDerWaalsContact O-N 3.11Å
290Q92.8Very high89.9Confident100 Ų10097.5 Ų97.547%0.46747%0.47SS..Hα-helixtrans-65-47.3177.5-175.460.227.900111.4G286 R287 Q288 I292 L293 E294G286-Q290 PolarHBondContact O-N 3.48Å; G286-Q290 VanDerWaalsContact O-N 3.15Å; R287-Q290 WeakPolarHBondContact O-CB 3.37Å; R287-Q290 PolarHBondContact O-N 3.3Å; R287-Q290 VanDerWaalsContact O-N 3.08Å; Q288-Q290 VanDerWaalsContact C-N 3.32Å; Q288-Q290 PolarHBondContact O-N 2.75Å; Q290-I292 VanDerWaalsContact C-N 3.32Å; Q290-I292 PolarHBondContact O-N 2.91Å; Q290-L293 WeakPolarHBondContact O-CB 3.44Å; Q290-L293 PolarHBondContact O-N 3.28Å; Q290-L293 VanDerWaalsContact O-N 3.1Å; Q290-E294 WeakPolarHBondContact CG-OE1 3.38Å; Q290-E294 PolarHBondContact NE2-OE1 3.38Å; Q290-E294 WeakPolarHBondContact O-CG 3.49Å; Q290-E294 PolarHBondContact O-N 3.16Å
291E93.2Very high88.6Confident110 Ų11098.6 Ų98.651%0.51447%0.474SS..Hα-helixtrans-58.7-41.7175.8-72.8173.1-17200111.9R287 Q288 L293 E294 L295R287-E291 PolarHBondContact O-N 2.87Å; Q288-E291 PolarHBondContact O-N 3.32Å; E291-L293 VanDerWaalsContact C-N 3.33Å; E291-L293 PolarHBondContact O-N 3Å; E291-E294 PolarHBondContact O-N 2.96Å; E291-L295 WeakPolarHBondContact O-CB 3.47Å; E291-L295 WeakPolarHBondContact O-CG 3.49Å; E291-L295 PolarHBondContact O-N 3.01Å
292I92.9Very high87.5Confident88 Ų88102.1 Ų102.145%0.45149%0.493SS..Hα-helixtrans-62.8-39.7176.2-71165.7000111.6Q288 R289 Q290 R296Q288-I292 WeakPolarHBondContact O-CD1 3.33Å; Q288-I292 VanDerWaalsContact O-CG1 3.24Å; Q288-I292 WeakPolarHBondContact O-CG1 3.32Å; Q288-I292 PolarHBondContact O-N 3.46Å; R289-I292 PolarHBondContact O-N 3.29Å; Q290-I292 VanDerWaalsContact C-N 3.32Å; Q290-I292 PolarHBondContact O-N 2.91Å; I292-R296 WeakPolarHBondContact O-CB 3.43Å; I292-R296 VanDerWaalsContact O-CG 3.28Å; I292-R296 WeakPolarHBondContact O-CG 3.28Å; I292-R296 PolarHBondContact O-N 3.35Å
293L88.9Confident86.4Confident88 Ų8899.8 Ų99.846%0.46148%0.478SS..Hα-helixtrans-67.7-40.1177.7-72.2170.8000111.4R289 Q290 E291 R296 R297R289-L293 HydrophobicContact CG-CD1 4.43Å; R289-L293 WeakPolarHBondContact O-CG 3.2Å; R289-L293 PolarHBondContact O-N 3Å; R289-L293 VanDerWaalsContact O-N 3.11Å; Q290-L293 WeakPolarHBondContact O-CB 3.44Å; Q290-L293 PolarHBondContact O-N 3.28Å; Q290-L293 VanDerWaalsContact O-N 3.1Å; E291-L293 VanDerWaalsContact C-N 3.33Å; E291-L293 PolarHBondContact O-N 3Å; L293-R296 PolarHBondContact O-N 3.3Å; L293-R297 PolarHBondContact O-N 2.93Å
294E89.6Confident85.1Confident74 Ų7498.2 Ų98.235%0.34647%0.471SS..Hα-helixtrans-63.8-49175.9-74168.7-169.400111.4Q290 E291 R296 R297 E298Q290-E294 WeakPolarHBondContact CG-OE1 3.38Å; Q290-E294 PolarHBondContact NE2-OE1 3.38Å; Q290-E294 WeakPolarHBondContact O-CG 3.49Å; Q290-E294 PolarHBondContact O-N 3.16Å; E291-E294 PolarHBondContact O-N 2.96Å; E294-R296 VanDerWaalsContact C-N 3.3Å; E294-R296 PolarHBondContact O-N 2.78Å; E294-R297 WeakPolarHBondContact O-CB 3.36Å; E294-R297 PolarHBondContact O-N 3.1Å; E294-R297 VanDerWaalsContact O-N 3.09Å; E294-E298 WeakPolarHBondContact O-CG 3.4Å; E294-E298 PolarHBondContact O-N 3.41Å
295L89.2Confident83.9Confident109 Ų10997 Ų9757%0.57147%0.466SS*.Hα-helixtrans-60.2-38176.5-73.2172000112.6E291 M299E291-L295 WeakPolarHBondContact O-CB 3.47Å; E291-L295 WeakPolarHBondContact O-CG 3.49Å; E291-L295 PolarHBondContact O-N 3.01Å; L295-M299 WeakPolarHBondContact O-CB 3.42Å; L295-M299 PolarHBondContact O-N 3.21Å
296R84.6Confident82.6Confident156 Ų156101 Ų10159%0.58948%0.479SS*.Hα-helixtrans-64.5-42.5174.5-78.2178.6-178.1-164.51.4111.8I292 L293 E294 M299 E300I292-R296 WeakPolarHBondContact O-CB 3.43Å; I292-R296 VanDerWaalsContact O-CG 3.28Å; I292-R296 WeakPolarHBondContact O-CG 3.28Å; I292-R296 PolarHBondContact O-N 3.35Å; L293-R296 PolarHBondContact O-N 3.3Å; E294-R296 VanDerWaalsContact C-N 3.3Å; E294-R296 PolarHBondContact O-N 2.78Å; R296-M299 PolarHBondContact O-N 3.15Å; R296-E300 PolarHBondContact O-N 3.4Å
297R80.1Confident81.7Confident127 Ų127105.6 Ų105.648%0.47949%0.494SS..Hα-helixtrans-61.4-47.4176-171.6-171.867.7-149.6-9.9110.8L293 E294 M299 E300 E301L293-R297 PolarHBondContact O-N 2.93Å; E294-R297 WeakPolarHBondContact O-CB 3.36Å; E294-R297 PolarHBondContact O-N 3.1Å; E294-R297 VanDerWaalsContact O-N 3.09Å; R297-M299 VanDerWaalsContact C-N 3.32Å; R297-M299 PolarHBondContact O-N 3.1Å; R297-E300 WeakPolarHBondContact O-CB 3.27Å; R297-E300 PolarHBondContact O-N 3.07Å; R297-E300 VanDerWaalsContact O-N 3.12Å; R297-E301 IonicContact NE-OE1 3.55Å; R297-E301 PolarHBondContact NE-OE1 3.07Å; R297-E301 PolarHBondContact O-N 3.16Å
298E81.6Confident81.5Confident95 Ų9599 Ų9944%0.44447%0.469SS..Hα-helixtrans-60.7-40.5177-70.8177.2-174.500112.1E294 E300 E301 L302E294-E298 WeakPolarHBondContact O-CG 3.4Å; E294-E298 PolarHBondContact O-N 3.41Å; E298-E300 VanDerWaalsContact C-N 3.32Å; E298-E300 PolarHBondContact O-N 3.46Å; E298-E301 PolarHBondContact O-N 3.37Å; E298-L302 WeakPolarHBondContact O-CG 3.31Å; E298-L302 PolarHBondContact O-N 3.31Å
299M79.1Confident81.4Confident135 Ų13596.4 Ų96.467%0.66546%0.46SS*.Hα-helixtrans-64.8-35.9175.8-166.3-178.374.700112.3L295 R296 R297 L302 S303L295-M299 WeakPolarHBondContact O-CB 3.42Å; L295-M299 PolarHBondContact O-N 3.21Å; R296-M299 PolarHBondContact O-N 3.15Å; R297-M299 VanDerWaalsContact C-N 3.32Å; R297-M299 PolarHBondContact O-N 3.1Å; M299-L302 PolarHBondContact O-N 3.19Å; M299-S303 PolarHBondContact O-N 3.33Å
300E72.4Confident81.4Confident97 Ų9788.8 Ų88.845%0.45343%0.433SS..Hα-helixtrans-67.3-38.7172.2-74.7-176.9-15900112.3R296 R297 E298 L302 S303 K345R296-E300 PolarHBondContact O-N 3.4Å; R297-E300 WeakPolarHBondContact O-CB 3.27Å; R297-E300 PolarHBondContact O-N 3.07Å; R297-E300 VanDerWaalsContact O-N 3.12Å; E298-E300 VanDerWaalsContact C-N 3.32Å; E298-E300 PolarHBondContact O-N 3.46Å; E300-L302 VanDerWaalsContact C-N 3.31Å; E300-L302 PolarHBondContact O-N 2.87Å; E300-S303 VanDerWaalsContact O-CB 3.25Å; E300-S303 WeakPolarHBondContact O-CB 3.31Å; E300-S303 PolarHBondContact O-N 2.94Å; E300-K345 IonicContact OE2-NZ 3.94Å
301E69.3Low81.4Confident64 Ų6488.6 Ų88.630%0.29943%0.434SS..Hα-helixtrans-65.1-35.1175.2-72.3171.9-143.100112.2R297 E298 S303 V304R297-E301 IonicContact NE-OE1 3.55Å; R297-E301 PolarHBondContact NE-OE1 3.07Å; R297-E301 PolarHBondContact O-N 3.16Å; E298-E301 PolarHBondContact O-N 3.37Å; E301-S303 PolarHBondContact O-N 2.85Å; E301-V304 WeakPolarHBondContact O-CG2 3.5Å
302L72.3Confident81.6Confident143 Ų14384.4 Ų84.475%0.74941%0.413SS*.THydrogen-bonded Turntrans-74.2-11.1175.1-69.3172.6000113.5E298 M299 E300 V304E298-L302 WeakPolarHBondContact O-CG 3.31Å; E298-L302 PolarHBondContact O-N 3.31Å; M299-L302 PolarHBondContact O-N 3.19Å; E300-L302 VanDerWaalsContact C-N 3.31Å; E300-L302 PolarHBondContact O-N 2.87Å; L302-V304 PolarHBondContact O-N 3.35Å
303S70.8Confident81.7Confident40 Ų4085.3 Ų85.328%0.2841%0.414SS..  trans-73.360.7171.2-169.30000110.7M299 E300 E301 P336 F337 Y338M299-S303 PolarHBondContact O-N 3.33Å; E300-S303 VanDerWaalsContact O-CB 3.25Å; E300-S303 WeakPolarHBondContact O-CB 3.31Å; E300-S303 PolarHBondContact O-N 2.94Å; E301-S303 PolarHBondContact O-N 2.85Å; S303-P336 PolarHBondContact OG-O 2.97Å; S303-F337 VanDerWaalsContact O-CA 3.3Å; S303-F337 WeakPolarHBondContact O-CA 3.4Å; S303-Y338 PolarHBondContact O-N 2.85Å
304V67.1Low82.1Confident60 Ų6081.3 Ų81.336%0.36439%0.393SS..BIsolated β-bridgetrans-91.8132.6173.9-173.60000108.1E301 L302E301-V304 WeakPolarHBondContact O-CG2 3.5Å; L302-V304 PolarHBondContact O-N 3.35Å
305S67.9Low82.4Confident11 Ų1179.9 Ų79.98%0.07739%0.391CS..  trans-65.9138170.855.90000110.9D307 G308 V309 Y338 T339S305-D307 PolarHBondContact O-N 3.42Å; S305-G308 VanDerWaalsContact OG-CA 3.31Å; S305-G308 WeakPolarHBondContact OG-CA 3.34Å; S305-V309 VanDerWaalsContact CB-C 3.49Å; S305-V309 VanDerWaalsContact CB-O 3.23Å; S305-V309 WeakPolarHBondContact CB-O 3.35Å; S305-Y338 PolarHBondContact N-O 2.86Å; S305-Y338 PolarHBondContact OG-O 2.82Å; S305-T339 PolarHBondContact OG-O 3.27Å
306Q67.8Low82.7Confident167 Ų16778.4 Ų78.478%0.7838%0.384SS*.BIsolated β-bridgetrans-69.6113.4168.5-73.8-178.1-35.200107.4G308 V309Q306-G308 VanDerWaalsContact C-N 3.3Å; Q306-G308 PolarHBondContact O-N 3.3Å; Q306-V309 WeakPolarHBondContact O-CB 3.41Å; Q306-V309 PolarHBondContact O-N 3.08Å
307D75.8Confident83.3Confident137 Ų13771.5 Ų71.573%0.73336%0.358SS*.THydrogen-bonded Turntrans53.738.7175.9-51.2-38.7000114.6S305 V309S305-D307 PolarHBondContact O-N 3.42Å; D307-V309 VanDerWaalsContact C-N 3.33Å; D307-V309 PolarHBondContact O-N 2.97Å
308G86.8Confident84Confident0 Ų068.6 Ų68.60%036%0.357CS..THydrogen-bonded Turntrans79.99.4-179.700000115.1S305 Q306 T339 S461 I462S305-G308 VanDerWaalsContact OG-CA 3.31Å; S305-G308 WeakPolarHBondContact OG-CA 3.34Å; Q306-G308 VanDerWaalsContact C-N 3.3Å; Q306-G308 PolarHBondContact O-N 3.3Å; G308-T339 VanDerWaalsContact CA-O 3.27Å; G308-T339 WeakPolarHBondContact CA-O 3.48Å; G308-T339 PolarHBondContact N-O 3.32Å; G308-S461 CarbonylContact O-C 3.55Å; G308-S461 WeakPolarHBondContact O-CA 3.43Å; G308-I462 PolarHBondContact O-N 3.49Å
309V92.6Very high84.7Confident41 Ų4169.5 Ų69.525%0.24836%0.357CS..EExtended strand (participates in β ladder)trans-107.8118.1-177.8-177.10000112.6S305 Q306 D307 I311 K459 A460S305-V309 VanDerWaalsContact CB-C 3.49Å; S305-V309 VanDerWaalsContact CB-O 3.23Å; S305-V309 WeakPolarHBondContact CB-O 3.35Å; Q306-V309 WeakPolarHBondContact O-CB 3.41Å; Q306-V309 PolarHBondContact O-N 3.08Å; D307-V309 VanDerWaalsContact C-N 3.33Å; D307-V309 PolarHBondContact O-N 2.97Å; V309-I311 HydrophobicContact CG1-CG1 4.07Å; V309-K459 HydrophobicContact CG1-CD 4.1Å; V309-K459 HydrophobicContact CG1-CG 3.98Å; V309-A460 WeakPolarHBondContact CA-O 3.25Å
310L93.9Very high85.5Confident23 Ų2365 Ų6512%0.1233%0.333CS..EExtended strand (participates in β ladder)trans-95.7131162.417571.2000109.5W312 F337 V348 K459 A460L310-W312 HydrophobicContact CD2-CB 4.3Å; L310-W312 HydrophobicContact CG-CB 4.43Å; L310-F337 HydrophobicContact CB-CD1 4.15Å; L310-F337 HydrophobicContact CB-CD2 4.05Å; L310-F337 HydrophobicContact CB-CE1 4.01Å; L310-F337 HydrophobicContact CB-CE2 3.88Å; L310-F337 HydrophobicContact CB-CG 4.16Å; L310-F337 HydrophobicContact CB-CZ 3.85Å; L310-F337 HydrophobicContact CD1-CB 4.45Å; L310-F337 HydrophobicContact CD1-CD1 4.31Å; L310-F337 HydrophobicContact CD1-CG 4.31Å; L310-F337 HydrophobicContact CD2-CD1 3.6Å; L310-F337 HydrophobicContact CD2-CE1 3.52Å; L310-F337 HydrophobicContact CD2-CG 4.33Å; L310-F337 HydrophobicContact CD2-CZ 4.18Å; L310-F337 HydrophobicContact CG-CD1 4.22Å; L310-F337 HydrophobicContact CG-CE1 4.3Å; L310-F337 HydrophobicContact CG-CG 4.48Å; L310-V348 HydrophobicContact CD2-CB 4.21Å; L310-V348 HydrophobicContact CD2-CG2 3.76Å; L310-K459 CarbonylContact O-C 3.49Å; L310-K459 VanDerWaalsContact O-CA 3.24Å; L310-K459 WeakPolarHBondContact O-CA 3.24Å; L310-A460 HydrophobicContact CB-CB 4.49Å; L310-A460 PolarHBondContact N-O 3.37Å; L310-A460 PolarHBondContact O-N 3.32Å
311I94.8Very high86.7Confident96 Ų9661.6 Ų61.649%0.49232%0.318SS..EExtended strand (participates in β ladder)trans-114.3105.6164.6-61.1179000108.3V309 L391 F457 K459V309-I311 HydrophobicContact CG1-CG1 4.07Å; I311-L391 HydrophobicContact CG2-CD1 4.33Å; I311-F457 HydrophobicContact CG2-CB 4.48Å; I311-F457 HydrophobicContact CG2-CD1 3.72Å; I311-F457 HydrophobicContact CG2-CE1 4.46Å; I311-K459 HydrophobicContact CG1-CB 4.43Å; I311-K459 HydrophobicContact CG1-CD 4.43Å; I311-K459 HydrophobicContact CG1-CG 4.23Å
312W95.6Very high87.9Confident21 Ų2164.6 Ų64.68%0.0833%0.332CS..EExtended strand (participates in β ladder)trans-96.5113.1-179.3175.732.5000111.1L310 L314 F332 F333 V348 A350 F457 I458L310-W312 HydrophobicContact CD2-CB 4.3Å; L310-W312 HydrophobicContact CG-CB 4.43Å; W312-L314 HydrophobicContact CD2-CD1 4.24Å; W312-L314 HydrophobicContact CD2-CG 4.1Å; W312-L314 HydrophobicContact CE3-CD1 4.19Å; W312-L314 HydrophobicContact CH2-CD1 3.74Å; W312-L314 HydrophobicContact CH2-CD2 4.06Å; W312-L314 HydrophobicContact CH2-CG 4.11Å; W312-L314 HydrophobicContact CZ2-CD1 3.78Å; W312-L314 HydrophobicContact CZ2-CD2 3.37Å; W312-L314 HydrophobicContact CZ2-CG 3.6Å; W312-L314 HydrophobicContact CZ3-CD1 3.95Å; W312-F332 HydrophobicContact CH2-CB 3.92Å; W312-F332 WeakPolarHBondContact CH2-O 3.24Å; W312-F332 HydrophobicContact CZ2-CB 4.13Å; W312-F333 VanDerWaalsContact CZ2-O 3.31Å; W312-F333 WeakPolarHBondContact CZ2-O 3.37Å; W312-V348 HydrophobicContact CE3-CB 4.39Å; W312-V348 HydrophobicContact CE3-CG1 3.93Å; W312-V348 HydrophobicContact CZ3-CG1 4.06Å; W312-A350 HydrophobicContact CH2-CB 3.95Å; W312-A350 HydrophobicContact CZ3-CB 3.7Å; W312-F457 WeakPolarHBondContact O-CA 3.2Å; W312-I458 WeakPolarHBondContact CB-O 3.38Å; W312-I458 HydrophobicContact CE3-CB 4.13Å; W312-I458 HydrophobicContact CE3-CD1 3.97Å; W312-I458 HydrophobicContact CE3-CG2 4.49Å; W312-I458 HydrophobicContact CZ3-CD1 3.93Å; W312-I458 PolarHBondContact N-O 2.94Å; W312-I458 PolarHBondContact O-N 3.03Å
313K96.4Very high88.9Confident108 Ų10860.8 Ų60.847%0.4731%0.31SS..EExtended strand (participates in β ladder)trans-84.7122.9172.5-172.2177.9179.6175.30110.8C455 F457K313-C455 WeakPolarHBondContact CE-SG 3.2Å; K313-F457 HydrophobicContact CB-CD1 3.8Å; K313-F457 HydrophobicContact CB-CE1 3.52Å; K313-F457 HydrophobicContact CB-CZ 4.21Å; K313-F457 HydrophobicContact CD-CE1 3.72Å; K313-F457 HydrophobicContact CD-CE2 4.47Å; K313-F457 HydrophobicContact CD-CZ 3.59Å; K313-F457 HydrophobicContact CG-CD1 4.07Å; K313-F457 HydrophobicContact CG-CE1 3.56Å; K313-F457 HydrophobicContact CG-CE2 4.33Å; K313-F457 HydrophobicContact CG-CZ 3.71Å
314L96Very high90Very high3 Ų359.1 Ų59.12%0.01630%0.299CS..EExtended strand (participates in β ladder)trans-105.995.5170.9-85162.8000109.6W312 K320 F332 L352 C455 I456 I458W312-L314 HydrophobicContact CD2-CD1 4.24Å; W312-L314 HydrophobicContact CD2-CG 4.1Å; W312-L314 HydrophobicContact CE3-CD1 4.19Å; W312-L314 HydrophobicContact CH2-CD1 3.74Å; W312-L314 HydrophobicContact CH2-CD2 4.06Å; W312-L314 HydrophobicContact CH2-CG 4.11Å; W312-L314 HydrophobicContact CZ2-CD1 3.78Å; W312-L314 HydrophobicContact CZ2-CD2 3.37Å; W312-L314 HydrophobicContact CZ2-CG 3.6Å; W312-L314 HydrophobicContact CZ3-CD1 3.95Å; L314-K320 HydrophobicContact CD2-CD 4.35Å; L314-F332 HydrophobicContact CD2-CB 4.42Å; L314-L352 HydrophobicContact CD1-CD2 4.15Å; L314-C455 VanDerWaalsContact O-CA 3.3Å; L314-C455 WeakPolarHBondContact O-CA 3.3Å; L314-I456 HydrophobicContact CB-CD1 4.37Å; L314-I456 HydrophobicContact CB-CG1 3.65Å; L314-I456 HydrophobicContact CD1-CD1 3.91Å; L314-I456 HydrophobicContact CD1-CG1 4.05Å; L314-I456 PolarHBondContact N-O 3.01Å; L314-I456 PolarHBondContact O-N 3.26Å; L314-I456 VanDerWaalsContact O-N 3.08Å; L314-I458 HydrophobicContact CD1-CD1 3.76Å; L314-I458 HydrophobicContact CD1-CG1 4.48Å
315S96Very high91.3Very high44 Ų4462.1 Ų62.131%0.30831%0.307SS..EExtended strand (participates in β ladder)trans-76162.8172-480000112.2Y317 K320S315-Y317 VanDerWaalsContact C-N 3.33Å; S315-Y317 PolarHBondContact O-N 2.9Å; S315-K320 WeakPolarHBondContact O-CD 3.35Å; S315-K320 VanDerWaalsContact O-CE 3.26Å; S315-K320 WeakPolarHBondContact O-CE 3.41Å; S315-K320 PolarHBondContact O-NZ 3.44Å
316D96.3Very high92.5Very high79 Ų7968.9 Ų68.942%0.42234%0.341SS..  trans57.940.8-178-56.8-41.9000113.7S318 R319 K320 N454D316-S318 VanDerWaalsContact C-N 3.27Å; D316-S318 PolarHBondContact O-N 3.33Å; D316-R319 HydrophobicContact CB-CB 4.47Å; D316-R319 PolarHBondContact O-N 3.32Å; D316-R319 VanDerWaalsContact O-N 3.17Å; D316-K320 PolarHBondContact O-N 2.66Å; D316-N454 PolarHBondContact N-O 3.5Å; D316-N454 VanDerWaalsContact N-O 3.09Å
317Y96.5Very high93.4Very high11 Ų1168.7 Ų68.74%0.04333%0.334CS..Hα-helixtrans-52.3-45.2-173.9178.4-97.7000112.3S315 R319 K320 L321 L352 I451 N454 I456S315-Y317 VanDerWaalsContact C-N 3.33Å; S315-Y317 PolarHBondContact O-N 2.9Å; Y317-R319 PolarHBondContact O-N 3.48Å; Y317-K320 PolarHBondContact O-N 3.48Å; Y317-L321 HydrophobicContact CE1-CB 4.44Å; Y317-L321 HydrophobicContact CE1-CD2 3.86Å; Y317-L321 VanDerWaalsContact O-CB 3.26Å; Y317-L321 WeakPolarHBondContact O-CB 3.37Å; Y317-L321 PolarHBondContact O-N 3.32Å; Y317-L352 HydrophobicContact CD2-CD1 4.21Å; Y317-L352 HydrophobicContact CD2-CD2 4.45Å; Y317-L352 HydrophobicContact CE2-CD1 4.26Å; Y317-L352 HydrophobicContact CE2-CD2 4.06Å; Y317-I451 HydrophobicContact CD1-CD1 3.85Å; Y317-I451 HydrophobicContact CD1-CG1 4.03Å; Y317-I451 HydrophobicContact CD1-CG2 4.03Å; Y317-I451 HydrophobicContact CE1-CD1 3.35Å; Y317-I451 HydrophobicContact CE1-CG1 3.91Å; Y317-I451 HydrophobicContact CG-CG2 4.49Å; Y317-N454 PolarHBondContact N-O 3.35Å; Y317-N454 PolarHBondContact N-OD1 2.93Å; Y317-I456 HydrophobicContact CD2-CB 4.43Å; Y317-I456 HydrophobicContact CD2-CD1 3.86Å; Y317-I456 HydrophobicContact CD2-CG1 4Å; Y317-I456 HydrophobicContact CD2-CG2 3.6Å; Y317-I456 HydrophobicContact CE2-CD1 3.81Å; Y317-I456 HydrophobicContact CE2-CG1 4.42Å; Y317-I456 HydrophobicContact CE2-CG2 3.92Å; Y317-I456 HydrophobicContact CG-CG2 4Å
318S95.4Very high93.6Very high65 Ų6565.9 Ų65.946%0.45533%0.325SS..Hα-helixtrans-61.4-44.1-177.5-56.20000112.5D316 Q322 N454D316-S318 VanDerWaalsContact C-N 3.27Å; D316-S318 PolarHBondContact O-N 3.33Å; S318-Q322 WeakPolarHBondContact O-CG 3.17Å; S318-Q322 PolarHBondContact O-N 2.96Å; S318-Q322 VanDerWaalsContact O-N 3.13Å; S318-N454 VanDerWaalsContact CB-OD1 3.3Å; S318-N454 WeakPolarHBondContact CB-OD1 2.92Å; S318-N454 PolarHBondContact N-OD1 3.48Å; S318-N454 PolarHBondContact OG-OD1 3.19Å
319R96.3Very high93.4Very high115 Ų11570.6 Ų70.643%0.43435%0.35SS..Hα-helixtrans-67.5-47.9177.7-177.7-175.562.881.71.1110.8D316 Y317 L321 Q322 E323D316-R319 HydrophobicContact CB-CB 4.47Å; D316-R319 PolarHBondContact O-N 3.32Å; D316-R319 VanDerWaalsContact O-N 3.17Å; Y317-R319 PolarHBondContact O-N 3.48Å; R319-L321 VanDerWaalsContact C-N 3.29Å; R319-L321 PolarHBondContact O-N 3.12Å; R319-Q322 WeakPolarHBondContact O-CB 3.48Å; R319-Q322 PolarHBondContact O-N 3.08Å; R319-Q322 VanDerWaalsContact O-N 3.13Å; R319-E323 IonicContact CZ-OE1 3.51Å; R319-E323 IonicContact CZ-OE2 2.82Å; R319-E323 IonicContact NH1-OE1 2.66Å; R319-E323 PolarHBondContact NH1-OE1 3.14Å; R319-E323 IonicContact NH1-OE2 3.33Å; R319-E323 PolarHBondContact NH1-OE2 2.92Å; R319-E323 WeakPolarHBondContact O-CG 3.45Å; R319-E323 PolarHBondContact O-N 3.17Å
320K96.5Very high93.2Very high40 Ų4070.9 Ų70.917%0.17435%0.349CS..Hα-helixtrans-63-35.4-180-72-179.6177.6162.90112.4L314 S315 D316 Y317 E323 A324 F332 L352L314-K320 HydrophobicContact CD2-CD 4.35Å; S315-K320 WeakPolarHBondContact O-CD 3.35Å; S315-K320 VanDerWaalsContact O-CE 3.26Å; S315-K320 WeakPolarHBondContact O-CE 3.41Å; S315-K320 PolarHBondContact O-NZ 3.44Å; D316-K320 PolarHBondContact O-N 2.66Å; Y317-K320 PolarHBondContact O-N 3.48Å; K320-E323 PolarHBondContact O-N 3.38Å; K320-A324 WeakPolarHBondContact O-CB 3.48Å; K320-A324 PolarHBondContact O-N 3.06Å; K320-F332 HydrophobicContact CB-CE1 4Å; K320-F332 HydrophobicContact CB-CE2 4.29Å; K320-F332 HydrophobicContact CB-CZ 3.63Å; K320-F332 HydrophobicContact CD-CD1 4.2Å; K320-F332 HydrophobicContact CD-CE1 3.82Å; K320-F332 HydrophobicContact CD-CZ 4.29Å; K320-F332 HydrophobicContact CG-CE1 3.8Å; K320-F332 HydrophobicContact CG-CZ 3.96Å; K320-L352 HydrophobicContact CB-CD1 3.5Å
321L96Very high93.1Very high25 Ų2571.6 Ų71.613%0.13135%0.351CS..Hα-helixtrans-67.1-40.7173.8179.962.7000111.7Y317 R319 A324 K325 L352 N353Y317-L321 HydrophobicContact CE1-CB 4.44Å; Y317-L321 HydrophobicContact CE1-CD2 3.86Å; Y317-L321 VanDerWaalsContact O-CB 3.26Å; Y317-L321 WeakPolarHBondContact O-CB 3.37Å; Y317-L321 PolarHBondContact O-N 3.32Å; R319-L321 VanDerWaalsContact C-N 3.29Å; R319-L321 PolarHBondContact O-N 3.12Å; L321-A324 PolarHBondContact O-N 3.48Å; L321-K325 WeakPolarHBondContact O-CG 3.4Å; L321-K325 PolarHBondContact O-N 3.47Å; L321-L352 HydrophobicContact CD1-CB 3.98Å; L321-L352 WeakPolarHBondContact CD1-O 3.33Å; L321-N353 HydrophobicContact CD1-CB 4.2Å
322Q95.4Very high93.1Very high128 Ų12868.2 Ų68.260%0.59833%0.333SS*.Hα-helixtrans-61.8-43.8173.5-73.2174.1-6.200111.4S318 R319 A324 K325 L326S318-Q322 WeakPolarHBondContact O-CG 3.17Å; S318-Q322 PolarHBondContact O-N 2.96Å; S318-Q322 VanDerWaalsContact O-N 3.13Å; R319-Q322 WeakPolarHBondContact O-CB 3.48Å; R319-Q322 PolarHBondContact O-N 3.08Å; R319-Q322 VanDerWaalsContact O-N 3.13Å; Q322-A324 VanDerWaalsContact C-N 3.34Å; Q322-A324 PolarHBondContact O-N 3.22Å; Q322-K325 WeakPolarHBondContact O-CB 3.47Å; Q322-K325 PolarHBondContact O-N 2.72Å; Q322-K325 VanDerWaalsContact O-N 3.11Å; Q322-L326 WeakPolarHBondContact O-CG 3.47Å; Q322-L326 PolarHBondContact O-N 3.11Å; Q322-L326 VanDerWaalsContact O-N 3.14Å
323E93.9Very high93Very high63 Ų6371.6 Ų71.629%0.29435%0.348SS..Hα-helixtrans-59.9-43.5175.3-72.5171.817800112R319 K320 K325 L326 R327R319-E323 IonicContact CZ-OE1 3.51Å; R319-E323 IonicContact CZ-OE2 2.82Å; R319-E323 IonicContact NH1-OE1 2.66Å; R319-E323 PolarHBondContact NH1-OE1 3.14Å; R319-E323 IonicContact NH1-OE2 3.33Å; R319-E323 PolarHBondContact NH1-OE2 2.92Å; R319-E323 WeakPolarHBondContact O-CG 3.45Å; R319-E323 PolarHBondContact O-N 3.17Å; K320-E323 PolarHBondContact O-N 3.38Å; E323-K325 VanDerWaalsContact C-N 3.26Å; E323-K325 PolarHBondContact O-N 3.35Å; E323-L326 PolarHBondContact O-N 3Å; E323-R327 PolarHBondContact O-N 3.12Å; E323-R327 VanDerWaalsContact O-N 3.16Å
324A94Very high92.9Very high5 Ų566.6 Ų66.64%0.04133%0.327CS..Hα-helixtrans-68.9-20.2176.100000114K320 L321 Q322 H330 F332 L352 N353K320-A324 WeakPolarHBondContact O-CB 3.48Å; K320-A324 PolarHBondContact O-N 3.06Å; L321-A324 PolarHBondContact O-N 3.48Å; Q322-A324 VanDerWaalsContact C-N 3.34Å; Q322-A324 PolarHBondContact O-N 3.22Å; A324-H330 HydrophobicContact CB-CB 4.25Å; A324-F332 HydrophobicContact CB-CE2 4.25Å; A324-L352 HydrophobicContact CB-CB 4.34Å; A324-N353 HydrophobicContact CB-CB 3.77Å; A324-N353 WeakPolarHBondContact O-CB 3.15Å; A324-N353 PolarHBondContact O-ND2 3.28Å
325K93.5Very high92.6Very high122 Ų12270.1 Ų70.153%0.5335%0.35SS..Hα-helixtrans-79.2-30.7171.6-77.6177.4177.6-166.10112.7L321 Q322 E323 N353L321-K325 WeakPolarHBondContact O-CG 3.4Å; L321-K325 PolarHBondContact O-N 3.47Å; Q322-K325 WeakPolarHBondContact O-CB 3.47Å; Q322-K325 PolarHBondContact O-N 2.72Å; Q322-K325 VanDerWaalsContact O-N 3.11Å; E323-K325 VanDerWaalsContact C-N 3.26Å; E323-K325 PolarHBondContact O-N 3.35Å; K325-N353 WeakPolarHBondContact CE-OD1 3.43Å; K325-N353 HydrophobicContact CG-CB 4.17Å; K325-N353 VanDerWaalsContact CG-CG 3.44Å; K325-N353 VanDerWaalsContact CG-OD1 3.25Å; K325-N353 WeakPolarHBondContact CG-OD1 3.48Å
326L92.4Very high92.3Very high153 Ų15369.5 Ų69.580%0.80135%0.345SS*.Hα-helixtrans-80-22.2178.6-66.5171.3000112.7Q322 E323Q322-L326 WeakPolarHBondContact O-CG 3.47Å; Q322-L326 PolarHBondContact O-N 3.11Å; Q322-L326 VanDerWaalsContact O-N 3.14Å; E323-L326 PolarHBondContact O-N 3Å
327R86.8Confident92.1Very high163 Ų16365.9 Ų65.962%0.61533%0.326SS*.SBendtrans-125.3112.6-177.7-61.9-179.9-178-177.50.7109.7E323 H330E323-R327 PolarHBondContact O-N 3.12Å; E323-R327 VanDerWaalsContact O-N 3.16Å; R327-H330 HydrophobicContact CB-CB 4.08Å
328S79.9Confident91.8Very high79 Ų7965.7 Ų65.755%0.55233%0.325SS*.THydrogen-bonded Turntrans-60.1145171.6176.50000110.2H330 E359S328-H330 VanDerWaalsContact C-N 3.28Å; S328-H330 PolarHBondContact O-N 2.99Å; S328-E359 WeakPolarHBondContact CB-OE1 3.34Å; S328-E359 PolarHBondContact OG-OE1 3.49Å
329N82.4Confident91.6Very high98 Ų9862.6 Ų62.652%0.52430%0.303SS..THydrogen-bonded Turntrans54.236.4-178.7-65.1-44.2000114.8E331 F351N329-E331 PolarHBondContact O-N 3.31Å; N329-F351 HydrophobicContact CB-CE1 4.31Å; N329-F351 WeakPolarHBondContact O-CE1 3.28Å
330H89.3Confident91.2Very high48 Ų4858.3 Ų58.322%0.22229%0.288CS..  trans-78.1105.4174.7-164.348.2000111.9A324 R327 S328 F332 F351A324-H330 HydrophobicContact CB-CB 4.25Å; R327-H330 HydrophobicContact CB-CB 4.08Å; S328-H330 VanDerWaalsContact C-N 3.28Å; S328-H330 PolarHBondContact O-N 2.99Å; H330-F332 AromaticContact CD2-CE2 3.69Å; H330-F332 AromaticContact CD2-CZ 3.44Å; H330-F332 VanDerWaalsContact CD2-CZ 3.44Å; H330-F332 WeakPolarHBondContact CD2-CZ 3.46Å; H330-F332 AromaticContact NE2-CE1 3.87Å; H330-F332 AromaticContact NE2-CZ 3.6Å; H330-F351 WeakPolarHBondContact O-CD1 3.28Å
331E92.7Very high90.7Very high38 Ų3864.6 Ų64.618%0.17831%0.311CS..  trans-93.8132.1-177.5-166.2166.7-150.600112.2N329 F333 S349 F351 R368N329-E331 PolarHBondContact O-N 3.31Å; E331-F333 HydrophobicContact CB-CE2 4.26Å; E331-F333 HydrophobicContact CB-CZ 4.02Å; E331-F333 HydrophobicContact CG-CE1 3.83Å; E331-F333 HydrophobicContact CG-CE2 4.17Å; E331-F333 HydrophobicContact CG-CZ 3.64Å; E331-F333 WeakPolarHBondContact OE2-CE1 3.48Å; E331-F333 WeakPolarHBondContact OE2-CZ 3.45Å; E331-S349 WeakPolarHBondContact OE1-CB 3.49Å; E331-S349 PolarHBondContact OE1-OG 2.69Å; E331-F351 HydrophobicContact CB-CD1 4.21Å; E331-F351 HydrophobicContact CB-CE1 3.56Å; E331-F351 HydrophobicContact CB-CE2 4.13Å; E331-F351 HydrophobicContact CB-CZ 3.51Å; E331-F351 VanDerWaalsContact CD-CZ 3.45Å; E331-F351 HydrophobicContact CG-CD2 4.34Å; E331-F351 HydrophobicContact CG-CE1 4.08Å; E331-F351 HydrophobicContact CG-CE2 3.69Å; E331-F351 HydrophobicContact CG-CZ 3.54Å; E331-F351 WeakPolarHBondContact OE1-CE2 3.18Å; E331-R368 IonicContact OE1-CZ 2.59Å; E331-R368 IonicContact OE1-NH2 3.44Å; E331-R368 PolarHBondContact OE1-NH2 3.25Å; E331-R368 IonicContact OE2-CZ 3.96Å; E331-R368 IonicContact OE2-NH2 3.96Å; E331-R368 PolarHBondContact OE2-NH2 3.37Å
332F94.2Very high90.2Very high25 Ų2568.9 Ų68.911%0.1133%0.326CS..EExtended strand (participates in β ladder)trans-104.1146.4169.3-63.7-86.9000110.3W312 L314 K320 A324 H330 S349 A350 L352W312-F332 HydrophobicContact CH2-CB 3.92Å; W312-F332 WeakPolarHBondContact CH2-O 3.24Å; W312-F332 HydrophobicContact CZ2-CB 4.13Å; L314-F332 HydrophobicContact CD2-CB 4.42Å; K320-F332 HydrophobicContact CB-CE1 4Å; K320-F332 HydrophobicContact CB-CE2 4.29Å; K320-F332 HydrophobicContact CB-CZ 3.63Å; K320-F332 HydrophobicContact CD-CD1 4.2Å; K320-F332 HydrophobicContact CD-CE1 3.82Å; K320-F332 HydrophobicContact CD-CZ 4.29Å; K320-F332 HydrophobicContact CG-CE1 3.8Å; K320-F332 HydrophobicContact CG-CZ 3.96Å; A324-F332 HydrophobicContact CB-CE2 4.25Å; H330-F332 AromaticContact CD2-CE2 3.69Å; H330-F332 AromaticContact CD2-CZ 3.44Å; H330-F332 VanDerWaalsContact CD2-CZ 3.44Å; H330-F332 WeakPolarHBondContact CD2-CZ 3.46Å; H330-F332 AromaticContact NE2-CE1 3.87Å; H330-F332 AromaticContact NE2-CZ 3.6Å; F332-S349 CarbonylContact O-C 3.55Å; F332-S349 WeakPolarHBondContact O-CA 3.17Å; F332-S349 VanDerWaalsContact O-CB 3.24Å; F332-S349 WeakPolarHBondContact O-CB 3.35Å; F332-A350 PolarHBondContact N-O 3.42Å; F332-A350 PolarHBondContact O-N 3.42Å; F332-L352 HydrophobicContact CD2-CD1 4.09Å; F332-L352 HydrophobicContact CD2-CG 3.8Å; F332-L352 HydrophobicContact CE2-CB 4.46Å; F332-L352 HydrophobicContact CE2-CD1 3.77Å; F332-L352 HydrophobicContact CE2-CG 3.79Å; F332-L352 HydrophobicContact CZ-CD1 4.33Å
333F93.8Very high90Very high91 Ų9162.8 Ų62.840%0.39930%0.298SS..EExtended strand (participates in β ladder)trans-119.4140.4-177.2-60-79.8000112.1W312 E331 Q347W312-F333 VanDerWaalsContact CZ2-O 3.31Å; W312-F333 WeakPolarHBondContact CZ2-O 3.37Å; E331-F333 HydrophobicContact CB-CE2 4.26Å; E331-F333 HydrophobicContact CB-CZ 4.02Å; E331-F333 HydrophobicContact CG-CE1 3.83Å; E331-F333 HydrophobicContact CG-CE2 4.17Å; E331-F333 HydrophobicContact CG-CZ 3.64Å; E331-F333 WeakPolarHBondContact OE2-CE1 3.48Å; E331-F333 WeakPolarHBondContact OE2-CZ 3.45Å; F333-Q347 HydrophobicContact CD1-CG 4.48Å
334S93Very high89.9Confident3 Ų359.9 Ų59.92%0.02128%0.284CS..PPolyproline II helixtrans-70.8162163.177.60000110.2Q347 V348S334-Q347 WeakPolarHBondContact O-CG 3.18Å; S334-Q347 PolarHBondContact O-NE2 3.05Å; S334-V348 PolarHBondContact N-O 3Å; S334-V348 PolarHBondContact OG-N 3.26Å; S334-V348 PolarHBondContact OG-O 3.11Å
335P90.2Very high89.8Confident77 Ų7761.3 Ų61.350%0.529%0.289SS..PPolyproline II helixtrans-52.4142.1156.9-22.634.4000109.9
336P90.4Very high89.7Confident32 Ų3255.5 Ų55.521%0.20826%0.264CS..PPolyproline II helixtrans-57.4147.1166-22.834.2000110.6S303 K345 L346 L370S303-P336 PolarHBondContact OG-O 2.97Å; P336-K345 HydrophobicContact CB-CG 4.35Å; P336-L346 WeakPolarHBondContact CA-O 3.35Å; P336-L370 HydrophobicContact CB-CD1 4.05Å; P336-L370 HydrophobicContact CG-CD1 4.06Å
337F90.9Very high89.7Confident2 Ų249.7 Ų49.71%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-143.9148.8176.871.2-74.7000110.9S303 L310 L346 V348 I367 I462S303-F337 VanDerWaalsContact O-CA 3.3Å; S303-F337 WeakPolarHBondContact O-CA 3.4Å; L310-F337 HydrophobicContact CB-CD1 4.15Å; L310-F337 HydrophobicContact CB-CD2 4.05Å; L310-F337 HydrophobicContact CB-CE1 4.01Å; L310-F337 HydrophobicContact CB-CE2 3.88Å; L310-F337 HydrophobicContact CB-CG 4.16Å; L310-F337 HydrophobicContact CB-CZ 3.85Å; L310-F337 HydrophobicContact CD1-CB 4.45Å; L310-F337 HydrophobicContact CD1-CD1 4.31Å; L310-F337 HydrophobicContact CD1-CG 4.31Å; L310-F337 HydrophobicContact CD2-CD1 3.6Å; L310-F337 HydrophobicContact CD2-CE1 3.52Å; L310-F337 HydrophobicContact CD2-CG 4.33Å; L310-F337 HydrophobicContact CD2-CZ 4.18Å; L310-F337 HydrophobicContact CG-CD1 4.22Å; L310-F337 HydrophobicContact CG-CE1 4.3Å; L310-F337 HydrophobicContact CG-CG 4.48Å; F337-L346 HydrophobicContact CD1-CB 4.32Å; F337-L346 WeakPolarHBondContact CD1-O 3.49Å; F337-L346 HydrophobicContact CE1-CB 3.72Å; F337-L346 HydrophobicContact CE2-CB 4.43Å; F337-L346 HydrophobicContact CZ-CB 3.81Å; F337-L346 HydrophobicContact CZ-CD1 4.23Å; F337-L346 PolarHBondContact N-O 3.03Å; F337-L346 PolarHBondContact O-N 3.26Å; F337-V348 HydrophobicContact CE1-CG2 4.11Å; F337-I367 HydrophobicContact CZ-CD1 4.35Å; F337-I462 HydrophobicContact CE2-CG1 4.38Å
338Y90.4Very high90.1Very high7 Ų741.9 Ų41.93%0.02720%0.203CC..EExtended strand (participates in β ladder)trans-87.1136.4170.3-74.9-76.2000110.5S303 S305 H340 G343 Y344 K345 E373 Y374S303-Y338 PolarHBondContact O-N 2.85Å; S305-Y338 PolarHBondContact N-O 2.86Å; S305-Y338 PolarHBondContact OG-O 2.82Å; Y338-H340 VanDerWaalsContact C-N 3.33Å; Y338-H340 WeakPolarHBondContact CB-O 3.45Å; Y338-H340 PolarHBondContact O-N 3.15Å; Y338-G343 WeakPolarHBondContact CD1-O 3.37Å; Y338-Y344 WeakPolarHBondContact CA-O 3.2Å; Y338-K345 HydrophobicContact CD1-CB 3.98Å; Y338-K345 HydrophobicContact CD1-CG 4.48Å; Y338-K345 HydrophobicContact CE1-CB 3.61Å; Y338-K345 HydrophobicContact CE1-CD 4.42Å; Y338-K345 HydrophobicContact CE1-CG 4.13Å; Y338-E373 PolarHBondContact OH-N 3.4Å; Y338-Y374 HydrophobicContact CD1-CD2 4.46Å; Y338-Y374 AromaticContact CE1-CD2 3.84Å; Y338-Y374 HydrophobicContact CE1-CD2 3.84Å; Y338-Y374 HydrophobicContact CE1-CE2 4.14Å
339T91.1Very high90.8Very high0 Ų038.1 Ų38.10%018%0.177CC..SBendtrans-55.5-47175.8490000111.9S305 G308 Y344 L346 F382 I462 I464S305-T339 PolarHBondContact OG-O 3.27Å; G308-T339 VanDerWaalsContact CA-O 3.27Å; G308-T339 WeakPolarHBondContact CA-O 3.48Å; G308-T339 PolarHBondContact N-O 3.32Å; T339-Y344 PolarHBondContact N-O 3.12Å; T339-Y344 PolarHBondContact OG1-N 2.82Å; T339-Y344 VanDerWaalsContact OG1-N 3.1Å; T339-Y344 PolarHBondContact OG1-O 3.08Å; T339-L346 HydrophobicContact CG2-CD1 3.35Å; T339-L346 HydrophobicContact CG2-CG 3.86Å; T339-F382 HydrophobicContact CG2-CE2 4.48Å; T339-I462 HydrophobicContact CG2-CB 4.28Å; T339-I462 HydrophobicContact CG2-CG1 4.15Å; T339-I462 HydrophobicContact CG2-CG2 3.87Å; T339-I464 WeakPolarHBondContact O-CD1 3.44Å
340H88Confident91.5Very high26 Ų2633.5 Ų33.512%0.1215%0.152CC..SBendtrans-145.4174.2169.948.5-68.4000107.5Y338 Y342 G343 Y384 I464 I468Y338-H340 VanDerWaalsContact C-N 3.33Å; Y338-H340 WeakPolarHBondContact CB-O 3.45Å; Y338-H340 PolarHBondContact O-N 3.15Å; H340-Y342 PolarHBondContact O-N 2.68Å; H340-G343 VanDerWaalsContact CE1-CA 3.41Å; H340-G343 WeakPolarHBondContact CE1-CA 3.44Å; H340-G343 WeakPolarHBondContact NE2-CA 3.45Å; H340-G343 PolarHBondContact O-N 3.36Å; H340-Y384 AromaticContact CE1-CE2 3.94Å; H340-I464 HydrophobicContact CB-CD1 3.69Å; H340-I468 VanDerWaalsContact NE2-CG2 3.3Å; H340-I468 WeakPolarHBondContact NE2-CG2 3.38Å
341R85.9Confident91.9Very high172 Ų17231.4 Ų31.465%0.64914%0.143SC*.THydrogen-bonded Turntrans-53.7125.6171.7-166-178.5-177.3159.31.6109.2G343R341-G343 PolarHBondContact O-N 3.12Å
342Y86.9Confident92.1Very high115 Ų11529.6 Ų29.645%0.45113%0.134SC..THydrogen-bonded Turntrans66.914.4-176.8-42.8-52.6000115.9H340 Y374H340-Y342 PolarHBondContact O-N 2.68Å; Y342-Y374 AromaticContact CD1-CD1 3.93Å; Y342-Y374 HydrophobicContact CD1-CD1 3.93Å; Y342-Y374 AromaticContact CD1-CE1 3.38Å; Y342-Y374 HydrophobicContact CD1-CE1 3.38Å; Y342-Y374 HydrophobicContact CD1-CE2 4.04Å; Y342-Y374 HydrophobicContact CD1-CG 4.46Å; Y342-Y374 AromaticContact CD1-CZ 3.46Å; Y342-Y374 VanDerWaalsContact CD1-CZ 3.46Å; Y342-Y374 HydrophobicContact CE1-CE1 4.03Å; Y342-Y374 HydrophobicContact CG-CD1 4.44Å; Y342-Y374 HydrophobicContact CG-CE1 4.3Å; Y342-Y374 VanDerWaalsContact O-CB 3.26Å; Y342-Y374 WeakPolarHBondContact O-CB 3.21Å
343G90.2Very high92.2Very high0 Ų029.5 Ų29.50%014%0.135CC..  trans-89.2-163.2-178.200000115Y338 H340 R341 L378Y338-G343 WeakPolarHBondContact CD1-O 3.37Å; H340-G343 VanDerWaalsContact CE1-CA 3.41Å; H340-G343 WeakPolarHBondContact CE1-CA 3.44Å; H340-G343 WeakPolarHBondContact NE2-CA 3.45Å; H340-G343 PolarHBondContact O-N 3.36Å; R341-G343 PolarHBondContact O-N 3.12Å; G343-L378 VanDerWaalsContact C-CD1 3.46Å
344Y91.6Very high92.2Very high1 Ų125.4 Ų25.40%0.00412%0.118CC..  trans-68.2139175.4-56.1-87.4000111.8Y338 T339 L378 E379 W380 F382 Y384Y338-Y344 WeakPolarHBondContact CA-O 3.2Å; T339-Y344 PolarHBondContact N-O 3.12Å; T339-Y344 PolarHBondContact OG1-N 2.82Å; T339-Y344 VanDerWaalsContact OG1-N 3.1Å; T339-Y344 PolarHBondContact OG1-O 3.08Å; Y344-L378 HydrophobicContact CD1-CB 4.3Å; Y344-L378 HydrophobicContact CD1-CD1 3.54Å; Y344-L378 HydrophobicContact CD1-CG 4.48Å; Y344-L378 HydrophobicContact CD2-CD1 4.28Å; Y344-L378 HydrophobicContact CE1-CB 3.66Å; Y344-L378 HydrophobicContact CE1-CD1 3.8Å; Y344-L378 HydrophobicContact CE1-CG 4.28Å; Y344-L378 HydrophobicContact CE2-CD1 4.48Å; Y344-L378 HydrophobicContact CG-CD1 3.8Å; Y344-E379 WeakPolarHBondContact CE1-O 3.21Å; Y344-E379 PolarHBondContact OH-N 2.87Å; Y344-E379 PolarHBondContact OH-O 3.13Å; Y344-W380 AromaticContact CD1-CH2 3.71Å; Y344-W380 HydrophobicContact CD1-CH2 3.71Å; Y344-W380 AromaticContact CD1-CZ2 3.9Å; Y344-W380 HydrophobicContact CD1-CZ2 3.9Å; Y344-W380 HydrophobicContact CD1-CZ3 4.19Å; Y344-W380 HydrophobicContact CE1-CD2 4.3Å; Y344-W380 HydrophobicContact CE1-CE3 4.32Å; Y344-W380 AromaticContact CE1-CH2 3.96Å; Y344-W380 HydrophobicContact CE1-CH2 3.96Å; Y344-W380 AromaticContact CE1-CZ2 3.93Å; Y344-W380 HydrophobicContact CE1-CZ2 3.93Å; Y344-W380 HydrophobicContact CE1-CZ3 4.16Å; Y344-F382 AromaticContact CD1-CD2 3.99Å; Y344-F382 HydrophobicContact CD1-CD2 3.99Å; Y344-F382 AromaticContact CD2-CD2 3.74Å; Y344-F382 HydrophobicContact CD2-CD2 3.74Å; Y344-F382 HydrophobicContact CD2-CE2 4.01Å; Y344-F382 HydrophobicContact CE1-CB 4.46Å; Y344-F382 HydrophobicContact CE1-CD2 4.28Å; Y344-F382 HydrophobicContact CE2-CD2 4.06Å; Y344-F382 AromaticContact CG-CD2 3.71Å; Y344-F382 HydrophobicContact CG-CD2 3.71Å; Y344-F382 HydrophobicContact CG-CE2 4.22Å; Y344-Y384 HydrophobicContact CD2-CD2 4.11Å; Y344-Y384 AromaticContact CD2-CE2 3.73Å; Y344-Y384 HydrophobicContact CD2-CE2 3.73Å; Y344-Y384 HydrophobicContact CE2-CD2 4.1Å; Y344-Y384 HydrophobicContact CE2-CE1 4.25Å; Y344-Y384 AromaticContact CE2-CE2 3.53Å; Y344-Y384 HydrophobicContact CE2-CE2 3.53Å; Y344-Y384 AromaticContact CE2-CZ 3.61Å
345K91.6Very high92.2Very high36 Ų3625.6 Ų25.616%0.15712%0.119CC..EExtended strand (participates in β ladder)trans-86.2118.9170.5-164173.3-173.9169.90109.6E300 P336 Y338 L370E300-K345 IonicContact OE2-NZ 3.94Å; P336-K345 HydrophobicContact CB-CG 4.35Å; Y338-K345 HydrophobicContact CD1-CB 3.98Å; Y338-K345 HydrophobicContact CD1-CG 4.48Å; Y338-K345 HydrophobicContact CE1-CB 3.61Å; Y338-K345 HydrophobicContact CE1-CD 4.42Å; Y338-K345 HydrophobicContact CE1-CG 4.13Å; K345-L370 HydrophobicContact CB-CB 4.34Å; K345-L370 HydrophobicContact CD-CB 4.36Å; K345-L370 HydrophobicContact CG-CB 4.17Å; K345-L370 PolarHBondContact O-N 3.37Å
346L92.2Very high92.2Very high0 Ų024.7 Ų24.70%012%0.123CC..EExtended strand (participates in β ladder)trans-120.2159.6-178.8-57-177.9000110.8P336 F337 T339 I367 R368 V369 F382 I462P336-L346 WeakPolarHBondContact CA-O 3.35Å; F337-L346 HydrophobicContact CD1-CB 4.32Å; F337-L346 WeakPolarHBondContact CD1-O 3.49Å; F337-L346 HydrophobicContact CE1-CB 3.72Å; F337-L346 HydrophobicContact CE2-CB 4.43Å; F337-L346 HydrophobicContact CZ-CB 3.81Å; F337-L346 HydrophobicContact CZ-CD1 4.23Å; F337-L346 PolarHBondContact N-O 3.03Å; F337-L346 PolarHBondContact O-N 3.26Å; T339-L346 HydrophobicContact CG2-CD1 3.35Å; T339-L346 HydrophobicContact CG2-CG 3.86Å; L346-I367 HydrophobicContact CB-CD1 4.09Å; L346-I367 HydrophobicContact CB-CG1 4.22Å; L346-I367 HydrophobicContact CD1-CD1 3.74Å; L346-I367 HydrophobicContact CD1-CG1 4.49Å; L346-I367 HydrophobicContact CG-CD1 4.43Å; L346-R368 WeakPolarHBondContact CA-O 3.3Å; L346-V369 HydrophobicContact CD2-CB 4.26Å; L346-V369 HydrophobicContact CD2-CG1 4.46Å; L346-V369 HydrophobicContact CD2-CG2 3.77Å; L346-F382 HydrophobicContact CD1-CE2 4.17Å; L346-F382 HydrophobicContact CD1-CZ 4.11Å; L346-F382 HydrophobicContact CD2-CE2 4.36Å; L346-I462 HydrophobicContact CD1-CD1 3.78Å; L346-I462 HydrophobicContact CD1-CG1 3.94Å
347Q92.9Very high92.4Very high30 Ų3026.9 Ų26.914%0.1414%0.14CC..EExtended strand (participates in β ladder)trans-142.8132170.6-176.2175.850.200109.8F333 S334 I367 R368 L370F333-Q347 HydrophobicContact CD1-CG 4.48Å; S334-Q347 WeakPolarHBondContact O-CG 3.18Å; S334-Q347 PolarHBondContact O-NE2 3.05Å; Q347-I367 WeakPolarHBondContact O-CA 3.34Å; Q347-R368 HydrophobicContact CB-CG 4.14Å; Q347-R368 PolarHBondContact N-O 2.89Å; Q347-R368 PolarHBondContact O-N 3.1Å; Q347-L370 HydrophobicContact CB-CD1 3.66Å; Q347-L370 HydrophobicContact CB-CG 4.08Å
348V94.9Very high92.5Very high0 Ų026.8 Ų26.80%014%0.139CC..EExtended strand (participates in β ladder)trans-90142.8173.9178.10000108.6L310 W312 S334 F337 V365 Y366 I367 F388 I458 A460L310-V348 HydrophobicContact CD2-CB 4.21Å; L310-V348 HydrophobicContact CD2-CG2 3.76Å; W312-V348 HydrophobicContact CE3-CB 4.39Å; W312-V348 HydrophobicContact CE3-CG1 3.93Å; W312-V348 HydrophobicContact CZ3-CG1 4.06Å; S334-V348 PolarHBondContact N-O 3Å; S334-V348 PolarHBondContact OG-N 3.26Å; S334-V348 PolarHBondContact OG-O 3.11Å; F337-V348 HydrophobicContact CE1-CG2 4.11Å; V348-V365 HydrophobicContact CG1-CG2 3.91Å; V348-Y366 CarbonylContact C-O 3.45Å; V348-Y366 WeakPolarHBondContact CA-O 3.32Å; V348-I367 HydrophobicContact CG2-CD1 4.25Å; V348-I367 HydrophobicContact CG2-CG1 4.39Å; V348-F388 HydrophobicContact CG1-CE1 4.01Å; V348-F388 HydrophobicContact CG2-CE1 4.12Å; V348-I458 HydrophobicContact CG1-CG2 4.21Å; V348-A460 HydrophobicContact CG2-CB 3.63Å
349S95.3Very high92.7Very high0 Ų030.6 Ų30.60%016%0.157CC..EExtended strand (participates in β ladder)trans-131.5156170.462.70000111.8E331 F332 V365 Y366E331-S349 WeakPolarHBondContact OE1-CB 3.49Å; E331-S349 PolarHBondContact OE1-OG 2.69Å; F332-S349 CarbonylContact O-C 3.55Å; F332-S349 WeakPolarHBondContact O-CA 3.17Å; F332-S349 VanDerWaalsContact O-CB 3.24Å; F332-S349 WeakPolarHBondContact O-CB 3.35Å; S349-V365 WeakPolarHBondContact O-CA 3.39Å; S349-Y366 PolarHBondContact N-O 3.46Å; S349-Y366 PolarHBondContact O-N 3.11Å
350A96.6Very high92.9Very high0 Ų032.7 Ų32.70%018%0.179CC..EExtended strand (participates in β ladder)trans-141.3139.9179.900000111.9W312 F332 S364 I458W312-A350 HydrophobicContact CH2-CB 3.95Å; W312-A350 HydrophobicContact CZ3-CB 3.7Å; F332-A350 PolarHBondContact N-O 3.42Å; F332-A350 PolarHBondContact O-N 3.42Å; A350-S364 CarbonylContact C-O 3.55Å; A350-S364 VanDerWaalsContact CA-O 3.23Å; A350-S364 WeakPolarHBondContact CA-O 3.49Å; A350-I458 HydrophobicContact CB-CD1 3.68Å
351F96.6Very high93.3Very high5 Ų533.8 Ų33.82%0.02219%0.19CC..EExtended strand (participates in β ladder)trans-105.9103.9169.1-63.5-100.1000107.5N329 H330 E331 N353 G354 N355 L363 S364 Y366 L432N329-F351 HydrophobicContact CB-CE1 4.31Å; N329-F351 WeakPolarHBondContact O-CE1 3.28Å; H330-F351 WeakPolarHBondContact O-CD1 3.28Å; E331-F351 HydrophobicContact CB-CD1 4.21Å; E331-F351 HydrophobicContact CB-CE1 3.56Å; E331-F351 HydrophobicContact CB-CE2 4.13Å; E331-F351 HydrophobicContact CB-CZ 3.51Å; E331-F351 VanDerWaalsContact CD-CZ 3.45Å; E331-F351 HydrophobicContact CG-CD2 4.34Å; E331-F351 HydrophobicContact CG-CE1 4.08Å; E331-F351 HydrophobicContact CG-CE2 3.69Å; E331-F351 HydrophobicContact CG-CZ 3.54Å; E331-F351 WeakPolarHBondContact OE1-CE2 3.18Å; F351-N353 VanDerWaalsContact C-N 3.27Å; F351-N353 PolarHBondContact O-N 3.39Å; F351-G354 WeakPolarHBondContact O-CA 2.95Å; F351-G354 PolarHBondContact O-N 3.42Å; F351-N355 HydrophobicContact CB-CB 4.32Å; F351-N355 HydrophobicContact CD1-CB 3.86Å; F351-N355 HydrophobicContact CD2-CB 4.21Å; F351-N355 HydrophobicContact CE1-CB 4.17Å; F351-N355 WeakPolarHBondContact CE2-ND2 3.47Å; F351-N355 HydrophobicContact CG-CB 3.87Å; F351-N355 HydrophobicContact CZ-CB 4.5Å; F351-L363 WeakPolarHBondContact O-CA 3.38Å; F351-S364 PolarHBondContact N-O 3.06Å; F351-S364 PolarHBondContact O-N 2.83Å; F351-Y366 AromaticContact CD2-CD2 3.87Å; F351-Y366 HydrophobicContact CD2-CD2 3.87Å; F351-Y366 AromaticContact CD2-CE2 3.7Å; F351-Y366 HydrophobicContact CD2-CE2 3.7Å; F351-Y366 AromaticContact CE2-CD2 3.82Å; F351-Y366 HydrophobicContact CE2-CD2 3.82Å; F351-Y366 AromaticContact CE2-CE2 3.82Å; F351-Y366 HydrophobicContact CE2-CE2 3.82Å; F351-L432 HydrophobicContact CE2-CD2 3.85Å; F351-L432 HydrophobicContact CZ-CD2 3.62Å
352L96.9Very high93.9Very high0 Ų027.6 Ų27.60%017%0.168CC..THydrogen-bonded Turntrans-65.4-33.8-174.4-58.4-173.4000112.5L314 Y317 K320 L321 A324 F332 G354 L363 H442 I456L314-L352 HydrophobicContact CD1-CD2 4.15Å; Y317-L352 HydrophobicContact CD2-CD1 4.21Å; Y317-L352 HydrophobicContact CD2-CD2 4.45Å; Y317-L352 HydrophobicContact CE2-CD1 4.26Å; Y317-L352 HydrophobicContact CE2-CD2 4.06Å; K320-L352 HydrophobicContact CB-CD1 3.5Å; L321-L352 HydrophobicContact CD1-CB 3.98Å; L321-L352 WeakPolarHBondContact CD1-O 3.33Å; A324-L352 HydrophobicContact CB-CB 4.34Å; F332-L352 HydrophobicContact CD2-CD1 4.09Å; F332-L352 HydrophobicContact CD2-CG 3.8Å; F332-L352 HydrophobicContact CE2-CB 4.46Å; F332-L352 HydrophobicContact CE2-CD1 3.77Å; F332-L352 HydrophobicContact CE2-CG 3.79Å; F332-L352 HydrophobicContact CZ-CD1 4.33Å; L352-G354 VanDerWaalsContact C-N 3.32Å; L352-L363 HydrophobicContact CD2-CD1 3.75Å; L352-H442 PolarHBondContact O-NE2 3.43Å; L352-I456 HydrophobicContact CD2-CD1 4.13Å
353N96.9Very high94.4Very high22 Ų2222.1 Ų22.112%0.11815%0.147CC..THydrogen-bonded Turntrans-96.415.2173-163.353.9000112.6L321 A324 K325 F351 G360 H362 H442L321-N353 HydrophobicContact CD1-CB 4.2Å; A324-N353 HydrophobicContact CB-CB 3.77Å; A324-N353 WeakPolarHBondContact O-CB 3.15Å; A324-N353 PolarHBondContact O-ND2 3.28Å; K325-N353 WeakPolarHBondContact CE-OD1 3.43Å; K325-N353 HydrophobicContact CG-CB 4.17Å; K325-N353 VanDerWaalsContact CG-CG 3.44Å; K325-N353 VanDerWaalsContact CG-OD1 3.25Å; K325-N353 WeakPolarHBondContact CG-OD1 3.48Å; F351-N353 VanDerWaalsContact C-N 3.27Å; F351-N353 PolarHBondContact O-N 3.39Å; N353-G360 PolarHBondContact O-N 3.3Å; N353-H362 CarbonylContact C-O 3.51Å; N353-H442 PolarHBondContact OD1-CE1 2.8Å
354G94.3Very high94.7Very high5 Ų522.1 Ų22.15%0.05215%0.147CC..  trans72.2169.5178.400000114.6F351 L352 H362 S364F351-G354 WeakPolarHBondContact O-CA 2.95Å; F351-G354 PolarHBondContact O-N 3.42Å; L352-G354 VanDerWaalsContact C-N 3.32Å; G354-H362 WeakPolarHBondContact CA-O 3.43Å; G354-H362 PolarHBondContact N-O 3Å; G354-S364 WeakPolarHBondContact CA-OG 3.46Å
355N92.6Very high95Very high8 Ų822.1 Ų22.14%0.04315%0.146CC..  trans-143.5167.3171.168.1-24.9000110.3F351 S357 G358 E359 S364 Y366F351-N355 HydrophobicContact CB-CB 4.32Å; F351-N355 HydrophobicContact CD1-CB 3.86Å; F351-N355 HydrophobicContact CD2-CB 4.21Å; F351-N355 HydrophobicContact CE1-CB 4.17Å; F351-N355 WeakPolarHBondContact CE2-ND2 3.47Å; F351-N355 HydrophobicContact CG-CB 3.87Å; F351-N355 HydrophobicContact CZ-CB 4.5Å; N355-S357 PolarHBondContact O-N 2.96Å; N355-G358 PolarHBondContact O-N 3.14Å; N355-E359 PolarHBondContact O-N 3.19Å; N355-S364 PolarHBondContact N-OG 2.74Å; N355-S364 VanDerWaalsContact N-OG 3.16Å; N355-S364 WeakPolarHBondContact OD1-CB 3.49Å; N355-S364 PolarHBondContact OD1-OG 3.25Å; N355-Y366 WeakPolarHBondContact ND2-CE2 3.25Å; N355-Y366 PolarHBondContact ND2-OH 3.27Å; N355-Y366 VanDerWaalsContact ND2-OH 3.14Å; N355-Y366 WeakPolarHBondContact OD1-CE2 3.49Å; N355-Y366 PolarHBondContact OD1-OH 3.17Å
356G90.4Very high95.1Very high57 Ų5721.4 Ų21.459%0.58814%0.143SC*.G310 helixtrans52.9-126.2178.400000112G358 E359G356-G358 PolarHBondContact O-N 3.06Å; G356-E359 PolarHBondContact O-N 3.33Å
357S94Very high95.2Very high79 Ų7921.5 Ų21.555%0.55214%0.143SC*.G310 helixtrans-68.6-15.6-17867.80000114.6N355 K438N355-S357 PolarHBondContact O-N 2.96Å; S357-K438 VanDerWaalsContact C-CE 3.45Å; S357-K438 WeakPolarHBondContact O-CE 3.22Å
358G93.4Very high95.1Very high0 Ų022 Ų220%014%0.144CC..G310 helixtrans-103.61.8179.400000114.7N355 G356 G360 S361 H362 P437N355-G358 PolarHBondContact O-N 3.14Å; G356-G358 PolarHBondContact O-N 3.06Å; G358-G360 PolarHBondContact O-N 3.3Å; G358-S361 PolarHBondContact O-N 2.85Å; G358-S361 VanDerWaalsContact O-N 3.14Å; G358-S361 PolarHBondContact O-OG 3.19Å; G358-S361 VanDerWaalsContact O-OG 3.1Å; G358-H362 PolarHBondContact O-N 2.98Å; G358-P437 WeakPolarHBondContact CA-O 3.14Å
359E94.7Very high95Very high86 Ų8622.8 Ų22.840%0.40215%0.149SC..THydrogen-bonded Turntrans-54.9134.7-178.8-168.9169.6-174.500111.7S328 N355 G356 S361S328-E359 WeakPolarHBondContact CB-OE1 3.34Å; S328-E359 PolarHBondContact OG-OE1 3.49Å; N355-E359 PolarHBondContact O-N 3.19Å; G356-E359 PolarHBondContact O-N 3.33Å; E359-S361 PolarHBondContact O-N 3.42Å; E359-S361 VanDerWaalsContact O-N 3.11Å
360G94.7Very high94.7Very high45 Ų4524.5 Ų24.546%0.46416%0.158SC..THydrogen-bonded Turntrans71.5-6-17900000116.2N353 G358N353-G360 PolarHBondContact O-N 3.3Å; G358-G360 PolarHBondContact O-N 3.3Å
361S96.6Very high94.3Very high49 Ų4929 Ų2934%0.34319%0.187SC..THydrogen-bonded Turntrans-128.8-26.9-171.260.20000114.8G358 E359 S441 H442G358-S361 PolarHBondContact O-N 2.85Å; G358-S361 VanDerWaalsContact O-N 3.14Å; G358-S361 PolarHBondContact O-OG 3.19Å; G358-S361 VanDerWaalsContact O-OG 3.1Å; E359-S361 PolarHBondContact O-N 3.42Å; E359-S361 VanDerWaalsContact O-N 3.11Å; S361-S441 WeakPolarHBondContact O-CA 3.31Å; S361-H442 PolarHBondContact O-N 3.5Å
362H97.7Very high93.9Very high42 Ų4229.4 Ų29.419%0.19419%0.193CC..EExtended strand (participates in β ladder)trans-128.8162.2-176.7-66.467.2000110.8N353 G354 G358 I440 S441 H442N353-H362 CarbonylContact C-O 3.51Å; G354-H362 WeakPolarHBondContact CA-O 3.43Å; G354-H362 PolarHBondContact N-O 3Å; G358-H362 PolarHBondContact O-N 2.98Å; H362-I440 CarbonylContact C-O 3.57Å; H362-I440 VanDerWaalsContact CA-O 3.26Å; H362-I440 WeakPolarHBondContact CA-O 3.38Å; H362-I440 WeakPolarHBondContact CB-O 3.28Å; H362-S441 VanDerWaalsContact CD2-CA 3.45Å; H362-S441 WeakPolarHBondContact CD2-CA 3.32Å; H362-S441 PolarHBondContact CD2-N 3.07Å; H362-S441 WeakPolarHBondContact NE2-CB 3.34Å; H362-H442 PolarHBondContact O-NE2 3.29Å
363L97.7Very high93.4Very high0 Ų034.7 Ų34.70%022%0.218CC..EExtended strand (participates in β ladder)trans-85136.2155.4178.6152000107.7F351 L352 F439 I440 I445 I456F351-L363 WeakPolarHBondContact O-CA 3.38Å; L352-L363 HydrophobicContact CD2-CD1 3.75Å; L363-F439 HydrophobicContact CD2-CD1 4.04Å; L363-F439 VanDerWaalsContact O-CB 3.31Å; L363-F439 WeakPolarHBondContact O-CB 3.26Å; L363-F439 PolarHBondContact O-N 2.93Å; L363-F439 VanDerWaalsContact O-N 3.12Å; L363-I440 HydrophobicContact CB-CG2 3.87Å; L363-I440 HydrophobicContact CD2-CG2 4.36Å; L363-I440 PolarHBondContact N-O 2.99Å; L363-I440 PolarHBondContact O-N 3.22Å; L363-I445 HydrophobicContact CD1-CD1 4.23Å; L363-I456 HydrophobicContact CD1-CD1 3.68Å
364S97.2Very high93.1Very high0 Ų036 Ų360%022%0.221CC..EExtended strand (participates in β ladder)trans-112.1144.7176.2-43.20000110A350 F351 G354 N355 Y436 P437A350-S364 CarbonylContact C-O 3.55Å; A350-S364 VanDerWaalsContact CA-O 3.23Å; A350-S364 WeakPolarHBondContact CA-O 3.49Å; F351-S364 PolarHBondContact N-O 3.06Å; F351-S364 PolarHBondContact O-N 2.83Å; G354-S364 WeakPolarHBondContact CA-OG 3.46Å; N355-S364 PolarHBondContact N-OG 2.74Å; N355-S364 VanDerWaalsContact N-OG 3.16Å; N355-S364 WeakPolarHBondContact OD1-CB 3.49Å; N355-S364 PolarHBondContact OD1-OG 3.25Å; S364-Y436 VanDerWaalsContact CA-O 3.28Å; S364-Y436 WeakPolarHBondContact CA-O 3.28Å; S364-Y436 WeakPolarHBondContact CB-O 3.37Å; S364-P437 WeakPolarHBondContact CB-O 3.15Å; S364-P437 PolarHBondContact OG-O 2.92Å
365V96.8Very high92.9Very high0 Ų036.2 Ų36.20%022%0.221CC..EExtended strand (participates in β ladder)trans-134.2138.5-179.467.90000110.8V348 S349 F388 G435 Y436 F439 I458V348-V365 HydrophobicContact CG1-CG2 3.91Å; S349-V365 WeakPolarHBondContact O-CA 3.39Å; V365-F388 HydrophobicContact CG1-CB 4.16Å; V365-F388 HydrophobicContact CG1-CD1 4.32Å; V365-F388 HydrophobicContact CG1-CD2 3.91Å; V365-F388 HydrophobicContact CG1-CE2 4.3Å; V365-F388 HydrophobicContact CG1-CG 3.89Å; V365-F388 HydrophobicContact CG2-CD1 3.74Å; V365-F388 HydrophobicContact CG2-CE1 3.75Å; V365-F388 HydrophobicContact CG2-CG 4.18Å; V365-F388 HydrophobicContact CG2-CZ 4.17Å; V365-G435 CarbonylContact O-C 3.59Å; V365-G435 WeakPolarHBondContact O-CA 3.19Å; V365-Y436 HydrophobicContact CG1-CD2 4.39Å; V365-Y436 PolarHBondContact N-O 3.34Å; V365-Y436 PolarHBondContact O-N 3.13Å; V365-F439 HydrophobicContact CB-CD1 4.35Å; V365-F439 HydrophobicContact CB-CG 4.47Å; V365-F439 HydrophobicContact CG1-CB 3.93Å; V365-F439 HydrophobicContact CG1-CD1 3.73Å; V365-F439 HydrophobicContact CG1-CD2 3.76Å; V365-F439 HydrophobicContact CG1-CE1 4.14Å; V365-F439 HydrophobicContact CG1-CE2 4.19Å; V365-F439 HydrophobicContact CG1-CG 3.52Å; V365-F439 HydrophobicContact CG1-CZ 4.37Å; V365-I458 HydrophobicContact CG2-CG2 3.92Å
366Y95.3Very high92.9Very high22 Ų2242.2 Ų42.29%0.08625%0.253CS..EExtended strand (participates in β ladder)trans-137.9159.5-177.7-60.7-93.6000111.3V348 S349 F351 N355 F434 P437V348-Y366 CarbonylContact C-O 3.45Å; V348-Y366 WeakPolarHBondContact CA-O 3.32Å; S349-Y366 PolarHBondContact N-O 3.46Å; S349-Y366 PolarHBondContact O-N 3.11Å; F351-Y366 AromaticContact CD2-CD2 3.87Å; F351-Y366 HydrophobicContact CD2-CD2 3.87Å; F351-Y366 AromaticContact CD2-CE2 3.7Å; F351-Y366 HydrophobicContact CD2-CE2 3.7Å; F351-Y366 AromaticContact CE2-CD2 3.82Å; F351-Y366 HydrophobicContact CE2-CD2 3.82Å; F351-Y366 AromaticContact CE2-CE2 3.82Å; F351-Y366 HydrophobicContact CE2-CE2 3.82Å; N355-Y366 WeakPolarHBondContact ND2-CE2 3.25Å; N355-Y366 PolarHBondContact ND2-OH 3.27Å; N355-Y366 VanDerWaalsContact ND2-OH 3.14Å; N355-Y366 WeakPolarHBondContact OD1-CE2 3.49Å; N355-Y366 PolarHBondContact OD1-OH 3.17Å; Y366-F434 CarbonylContact C-O 3.59Å; Y366-F434 WeakPolarHBondContact CA-O 3.48Å; Y366-P437 WeakPolarHBondContact OH-CA 2.94Å
367I94.1Very high92.9Very high1 Ų146.3 Ų46.31%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-131.7142.5169.3-167.1162000109.2F337 L346 Q347 V348 V386 F388 F408 F417 G433 F434 I462F337-I367 HydrophobicContact CZ-CD1 4.35Å; L346-I367 HydrophobicContact CB-CD1 4.09Å; L346-I367 HydrophobicContact CB-CG1 4.22Å; L346-I367 HydrophobicContact CD1-CD1 3.74Å; L346-I367 HydrophobicContact CD1-CG1 4.49Å; L346-I367 HydrophobicContact CG-CD1 4.43Å; Q347-I367 WeakPolarHBondContact O-CA 3.34Å; V348-I367 HydrophobicContact CG2-CD1 4.25Å; V348-I367 HydrophobicContact CG2-CG1 4.39Å; I367-V386 HydrophobicContact CD1-CG1 4.31Å; I367-V386 HydrophobicContact CG2-CG1 4.29Å; I367-F388 HydrophobicContact CB-CE1 4.18Å; I367-F388 HydrophobicContact CB-CZ 3.6Å; I367-F388 HydrophobicContact CG2-CE2 4.35Å; I367-F388 HydrophobicContact CG2-CZ 3.78Å; I367-F408 HydrophobicContact CG2-CE1 4.41Å; I367-F408 HydrophobicContact CG2-CZ 3.85Å; I367-F417 HydrophobicContact CG2-CZ 4.49Å; I367-G433 CarbonylContact O-C 3.59Å; I367-G433 VanDerWaalsContact O-CA 3.27Å; I367-G433 WeakPolarHBondContact O-CA 3.34Å; I367-F434 PolarHBondContact N-O 3.47Å; I367-F434 PolarHBondContact O-N 2.96Å; I367-I462 HydrophobicContact CD1-CD1 3.96Å
368R91.4Very high92.8Very high40 Ų4043.9 Ų43.915%0.15124%0.242CC..EExtended strand (participates in β ladder)trans-129.2148.6175.764.2-172.768.5-175.4-1.1110.7E331 L346 Q347 L370 T431E331-R368 IonicContact OE1-CZ 2.59Å; E331-R368 IonicContact OE1-NH2 3.44Å; E331-R368 PolarHBondContact OE1-NH2 3.25Å; E331-R368 IonicContact OE2-CZ 3.96Å; E331-R368 IonicContact OE2-NH2 3.96Å; E331-R368 PolarHBondContact OE2-NH2 3.37Å; L346-R368 WeakPolarHBondContact CA-O 3.3Å; Q347-R368 HydrophobicContact CB-CG 4.14Å; Q347-R368 PolarHBondContact N-O 2.89Å; Q347-R368 PolarHBondContact O-N 3.1Å; R368-L370 HydrophobicContact CG-CD2 3.99Å; R368-L370 HydrophobicContact CG-CG 4.48Å; R368-T431 PolarHBondContact NH1-O 2.81Å; R368-T431 VanDerWaalsContact NH1-O 3.15Å; R368-T431 PolarHBondContact NH2-O 2.82Å
369V91.4Very high92.7Very high18 Ų1851.1 Ų51.111%0.10928%0.276CS..EExtended strand (participates in β ladder)trans-84.4126.5169.1-176.30000108.2L346 W380 F382 F417 P420L346-V369 HydrophobicContact CD2-CB 4.26Å; L346-V369 HydrophobicContact CD2-CG1 4.46Å; L346-V369 HydrophobicContact CD2-CG2 3.77Å; V369-W380 HydrophobicContact CG1-CH2 3.58Å; V369-W380 HydrophobicContact CG1-CZ3 3.85Å; V369-F382 HydrophobicContact CG2-CB 4.15Å; V369-F382 HydrophobicContact CG2-CG 4.25Å; V369-F417 HydrophobicContact CG2-CD1 3.75Å; V369-F417 HydrophobicContact CG2-CE1 4.3Å; V369-P420 HydrophobicContact CG1-CG 3.86Å
370L89.6Confident92.6Very high35 Ų3549.9 Ų49.918%0.18327%0.267CS..EExtended strand (participates in β ladder)trans-102.5154.8175.1-63-176.1000109.9P336 K345 Q347 R368 G372P336-L370 HydrophobicContact CB-CD1 4.05Å; P336-L370 HydrophobicContact CG-CD1 4.06Å; K345-L370 HydrophobicContact CB-CB 4.34Å; K345-L370 HydrophobicContact CD-CB 4.36Å; K345-L370 HydrophobicContact CG-CB 4.17Å; K345-L370 PolarHBondContact O-N 3.37Å; Q347-L370 HydrophobicContact CB-CD1 3.66Å; Q347-L370 HydrophobicContact CB-CG 4.08Å; R368-L370 HydrophobicContact CG-CD2 3.99Å; R368-L370 HydrophobicContact CG-CG 4.48Å; L370-G372 PolarHBondContact O-N 2.88Å; L370-G372 VanDerWaalsContact O-N 3.14Å
371P88.7Confident92.5Very high94 Ų9449.5 Ų49.561%0.6126%0.257SS*.PPolyproline II helixtrans-54.9119.8168.4-21.631.7000110.6D375 P420P371-D375 WeakPolarHBondContact CA-OD2 3.27Å; P371-P420 HydrophobicContact CB-CB 4.2Å; P371-P420 HydrophobicContact CG-CB 3.89Å
372G87.9Confident92.3Very high15 Ų1547.3 Ų47.316%0.15524%0.241CC..  trans-109.3155.3177.200000111.7L370 Y374 D375L370-G372 PolarHBondContact O-N 2.88Å; L370-G372 VanDerWaalsContact O-N 3.14Å; G372-Y374 PolarHBondContact O-N 3.19Å; G372-D375 WeakPolarHBondContact CA-OD1 3.49Å; G372-D375 VanDerWaalsContact N-CG 3.26Å; G372-D375 PolarHBondContact N-OD1 2.84Å; G372-D375 PolarHBondContact N-OD2 3.38Å; G372-D375 PolarHBondContact O-N 3.3Å
373E86.9Confident92.1Very high111 Ų11148.4 Ų48.452%0.51925%0.254SS..THydrogen-bonded Turntrans-66.4-24.2178.2-63-174.1152.700112.5Y338Y338-E373 PolarHBondContact OH-N 3.4Å
374Y89.6Confident91.9Very high48 Ų4849.2 Ų49.219%0.18826%0.257CS..THydrogen-bonded Turntrans-99.83.4-174.3-48.9-71.4000113.3Y338 Y342 G372 N376 L377 L378Y338-Y374 HydrophobicContact CD1-CD2 4.46Å; Y338-Y374 AromaticContact CE1-CD2 3.84Å; Y338-Y374 HydrophobicContact CE1-CD2 3.84Å; Y338-Y374 HydrophobicContact CE1-CE2 4.14Å; Y342-Y374 AromaticContact CD1-CD1 3.93Å; Y342-Y374 HydrophobicContact CD1-CD1 3.93Å; Y342-Y374 AromaticContact CD1-CE1 3.38Å; Y342-Y374 HydrophobicContact CD1-CE1 3.38Å; Y342-Y374 HydrophobicContact CD1-CE2 4.04Å; Y342-Y374 HydrophobicContact CD1-CG 4.46Å; Y342-Y374 AromaticContact CD1-CZ 3.46Å; Y342-Y374 VanDerWaalsContact CD1-CZ 3.46Å; Y342-Y374 HydrophobicContact CE1-CE1 4.03Å; Y342-Y374 HydrophobicContact CG-CD1 4.44Å; Y342-Y374 HydrophobicContact CG-CE1 4.3Å; Y342-Y374 VanDerWaalsContact O-CB 3.26Å; Y342-Y374 WeakPolarHBondContact O-CB 3.21Å; G372-Y374 PolarHBondContact O-N 3.19Å; Y374-N376 PolarHBondContact O-N 2.89Å; Y374-L377 HydrophobicContact CD1-CD1 4.5Å; Y374-L377 WeakPolarHBondContact O-CB 3.39Å; Y374-L377 PolarHBondContact O-N 3.01Å; Y374-L378 WeakPolarHBondContact O-CG 3.44Å
375D91Very high91.8Very high11 Ų1152.6 Ų52.66%0.05927%0.271CS..THydrogen-bonded Turntrans-55.9-25-172.6-72.3-3.6000114.2P371 G372 L377 W380 K419P371-D375 WeakPolarHBondContact CA-OD2 3.27Å; G372-D375 WeakPolarHBondContact CA-OD1 3.49Å; G372-D375 VanDerWaalsContact N-CG 3.26Å; G372-D375 PolarHBondContact N-OD1 2.84Å; G372-D375 PolarHBondContact N-OD2 3.38Å; G372-D375 PolarHBondContact O-N 3.3Å; D375-L377 VanDerWaalsContact C-N 3.32Å; D375-W380 HydrophobicContact CB-CZ2 3.96Å; D375-W380 PolarHBondContact O-NE1 3.09Å; D375-K419 WeakPolarHBondContact O-CE 3.43Å; D375-K419 PolarHBondContact O-NZ 3.2Å
376N91.1Very high91.7Very high133 Ų13352.6 Ų52.671%0.71127%0.271SS*.THydrogen-bonded Turntrans-77.3-15.2176.6-70.1-30.4000114.4Y374 K419Y374-N376 PolarHBondContact O-N 2.89Å; N376-K419 WeakPolarHBondContact OD1-CE 3.48Å; N376-K419 PolarHBondContact OD1-NZ 3.23Å
377L90.8Very high91.8Very high144 Ų14452.5 Ų52.575%0.75427%0.273SS*.THydrogen-bonded Turntrans-98.4-11.5179-54.2178.2000112.6Y374 D375Y374-L377 HydrophobicContact CD1-CD1 4.5Å; Y374-L377 WeakPolarHBondContact O-CB 3.39Å; Y374-L377 PolarHBondContact O-N 3.01Å; D375-L377 VanDerWaalsContact C-N 3.32Å
378L92.1Very high92Very high28 Ų2852.5 Ų52.515%0.14727%0.273CS..SBendtrans-95.3153.8-173.4-58.6173.8000112.1G343 Y344 Y374G343-L378 VanDerWaalsContact C-CD1 3.46Å; Y344-L378 HydrophobicContact CD1-CB 4.3Å; Y344-L378 HydrophobicContact CD1-CD1 3.54Å; Y344-L378 HydrophobicContact CD1-CG 4.48Å; Y344-L378 HydrophobicContact CD2-CD1 4.28Å; Y344-L378 HydrophobicContact CE1-CB 3.66Å; Y344-L378 HydrophobicContact CE1-CD1 3.8Å; Y344-L378 HydrophobicContact CE1-CG 4.28Å; Y344-L378 HydrophobicContact CE2-CD1 4.48Å; Y344-L378 HydrophobicContact CG-CD1 3.8Å; Y374-L378 WeakPolarHBondContact O-CG 3.44Å
379E91.6Very high92.3Very high151 Ų15151 Ų5171%0.70627%0.268SS*.  trans-72.2147.2171.9-64.2-175.8177.700110.7Y344Y344-E379 WeakPolarHBondContact CE1-O 3.21Å; Y344-E379 PolarHBondContact OH-N 2.87Å; Y344-E379 PolarHBondContact OH-O 3.13Å
380W92.5Very high92.6Very high61 Ų6150.1 Ų50.123%0.23126%0.263CS..SBendtrans-137.6145.1177.8-68.795.8000110.9Y344 V369 D375 F382 K419 P420Y344-W380 AromaticContact CD1-CH2 3.71Å; Y344-W380 HydrophobicContact CD1-CH2 3.71Å; Y344-W380 AromaticContact CD1-CZ2 3.9Å; Y344-W380 HydrophobicContact CD1-CZ2 3.9Å; Y344-W380 HydrophobicContact CD1-CZ3 4.19Å; Y344-W380 HydrophobicContact CE1-CD2 4.3Å; Y344-W380 HydrophobicContact CE1-CE3 4.32Å; Y344-W380 AromaticContact CE1-CH2 3.96Å; Y344-W380 HydrophobicContact CE1-CH2 3.96Å; Y344-W380 AromaticContact CE1-CZ2 3.93Å; Y344-W380 HydrophobicContact CE1-CZ2 3.93Å; Y344-W380 HydrophobicContact CE1-CZ3 4.16Å; V369-W380 HydrophobicContact CG1-CH2 3.58Å; V369-W380 HydrophobicContact CG1-CZ3 3.85Å; D375-W380 HydrophobicContact CB-CZ2 3.96Å; D375-W380 PolarHBondContact O-NE1 3.09Å; W380-F382 HydrophobicContact CZ3-CB 4.28Å; W380-K419 HydrophobicContact CB-CB 4.25Å; W380-K419 HydrophobicContact CD2-CB 3.54Å; W380-K419 HydrophobicContact CD2-CD 4.42Å; W380-K419 HydrophobicContact CD2-CG 3.86Å; W380-K419 HydrophobicContact CE3-CB 3.92Å; W380-K419 VanDerWaalsContact CE3-N 3.27Å; W380-K419 HydrophobicContact CG-CB 3.68Å; W380-K419 HydrophobicContact CG-CD 4.12Å; W380-K419 HydrophobicContact CG-CG 4.05Å; W380-K419 HydrophobicContact CZ2-CB 4.48Å; W380-K419 HydrophobicContact CZ2-CG 4.09Å; W380-P420 HydrophobicContact CH2-CG 4.11Å
381P92.9Very high93Very high37 Ų3749.6 Ų49.624%0.2426%0.261CS..SBendcis-71.6162.5030-35.1000113.9S383 P412 F417P381-S383 PolarHBondContact O-N 3.16Å; P381-P412 HydrophobicContact CG-CB 3.89Å; P381-F417 CarbonylContact C-O 3.55Å; P381-F417 WeakPolarHBondContact CA-O 3.48Å; P381-F417 VanDerWaalsContact CB-O 3.3Å; P381-F417 WeakPolarHBondContact CB-O 3.3Å
382F92.9Very high93.4Very high2 Ų245.3 Ų45.31%0.00923%0.233CC..  trans-57.3126.1175.2169.6-92.6000110.4T339 Y344 L346 V369 W380 Y384 V386 P410 F417 I462T339-F382 HydrophobicContact CG2-CE2 4.48Å; Y344-F382 AromaticContact CD1-CD2 3.99Å; Y344-F382 HydrophobicContact CD1-CD2 3.99Å; Y344-F382 AromaticContact CD2-CD2 3.74Å; Y344-F382 HydrophobicContact CD2-CD2 3.74Å; Y344-F382 HydrophobicContact CD2-CE2 4.01Å; Y344-F382 HydrophobicContact CE1-CB 4.46Å; Y344-F382 HydrophobicContact CE1-CD2 4.28Å; Y344-F382 HydrophobicContact CE2-CD2 4.06Å; Y344-F382 AromaticContact CG-CD2 3.71Å; Y344-F382 HydrophobicContact CG-CD2 3.71Å; Y344-F382 HydrophobicContact CG-CE2 4.22Å; L346-F382 HydrophobicContact CD1-CE2 4.17Å; L346-F382 HydrophobicContact CD1-CZ 4.11Å; L346-F382 HydrophobicContact CD2-CE2 4.36Å; V369-F382 HydrophobicContact CG2-CB 4.15Å; V369-F382 HydrophobicContact CG2-CG 4.25Å; W380-F382 HydrophobicContact CZ3-CB 4.28Å; F382-Y384 WeakPolarHBondContact CE1-O 3.23Å; F382-Y384 HydrophobicContact CE2-CD2 4.02Å; F382-Y384 HydrophobicContact CE2-CG 4.1Å; F382-V386 HydrophobicContact CE1-CG2 3.82Å; F382-V386 HydrophobicContact CZ-CG2 3.96Å; F382-P410 HydrophobicContact CD1-CB 4.12Å; F382-P410 HydrophobicContact CD1-CG 3.65Å; F382-P410 HydrophobicContact CE1-CB 4.47Å; F382-P410 HydrophobicContact CE1-CG 3.53Å; F382-P410 VanDerWaalsContact O-CB 3.26Å; F382-P410 WeakPolarHBondContact O-CB 3.34Å; F382-F417 HydrophobicContact CB-CB 4.11Å; F382-F417 HydrophobicContact CB-CD1 4.13Å; F382-F417 AromaticContact CD1-CD1 3.33Å; F382-F417 HydrophobicContact CD1-CD1 3.33Å; F382-F417 AromaticContact CD1-CE1 3.69Å; F382-F417 HydrophobicContact CD1-CE1 3.69Å; F382-F417 HydrophobicContact CD1-CG 4.08Å; F382-F417 HydrophobicContact CE1-CD1 4.1Å; F382-F417 AromaticContact CE1-CE1 3.98Å; F382-F417 HydrophobicContact CE1-CE1 3.98Å; F382-F417 HydrophobicContact CG-CD1 4.07Å; F382-F417 PolarHBondContact N-O 2.86Å; F382-I462 HydrophobicContact CE2-CG2 4.42Å; F382-I462 HydrophobicContact CZ-CG2 4.16Å
383S92.1Very high93.8Very high66 Ų6646.2 Ų46.246%0.46223%0.233SC..  trans-128.31.7-167.760.90000114.6P381P381-S383 PolarHBondContact O-N 3.16Å
384Y93.4Very high94.2Very high17 Ų1741.5 Ų41.57%0.06721%0.212CC..  trans-74.2135.3-176.8-60.7-11.6000111.1H340 Y344 F382 V386 P410 I462 I464 P465 I468H340-Y384 AromaticContact CE1-CE2 3.94Å; Y344-Y384 HydrophobicContact CD2-CD2 4.11Å; Y344-Y384 AromaticContact CD2-CE2 3.73Å; Y344-Y384 HydrophobicContact CD2-CE2 3.73Å; Y344-Y384 HydrophobicContact CE2-CD2 4.1Å; Y344-Y384 HydrophobicContact CE2-CE1 4.25Å; Y344-Y384 AromaticContact CE2-CE2 3.53Å; Y344-Y384 HydrophobicContact CE2-CE2 3.53Å; Y344-Y384 AromaticContact CE2-CZ 3.61Å; F382-Y384 WeakPolarHBondContact CE1-O 3.23Å; F382-Y384 HydrophobicContact CE2-CD2 4.02Å; F382-Y384 HydrophobicContact CE2-CG 4.1Å; Y384-V386 WeakPolarHBondContact O-CG2 3.49Å; Y384-V386 PolarHBondContact O-N 3.09Å; Y384-P410 WeakPolarHBondContact O-CD 3.18Å; Y384-P410 WeakPolarHBondContact O-CG 3.28Å; Y384-I462 HydrophobicContact CD2-CG2 3.81Å; Y384-I462 HydrophobicContact CG-CG2 4.19Å; Y384-I464 HydrophobicContact CE2-CG2 4.37Å; Y384-P465 HydrophobicContact CD1-CG 4.21Å; Y384-P465 VanDerWaalsContact CE1-CD 3.47Å; Y384-P465 HydrophobicContact CE1-CG 3.7Å; Y384-I468 WeakPolarHBondContact OH-CD1 3.28Å
385K94.7Very high94.2Very high71 Ų7142.6 Ų42.631%0.30922%0.221SC..  trans-61.9132.9177.3-173.3-174.679.9-161.60109.4T407 F408 N409 I462 D463K385-T407 HydrophobicContact CD-CG2 3.6Å; K385-T407 HydrophobicContact CG-CG2 3.62Å; K385-F408 WeakPolarHBondContact CG-O 3.23Å; K385-N409 WeakPolarHBondContact CG-OD1 3.47Å; K385-I462 WeakPolarHBondContact O-CA 3.44Å; K385-D463 HydrophobicContact CB-CB 4.06Å; K385-D463 WeakPolarHBondContact CE-OD2 3.31Å; K385-D463 IonicContact NZ-OD1 3.6Å; K385-D463 IonicContact NZ-OD2 2.78Å; K385-D463 PolarHBondContact NZ-OD2 3Å; K385-D463 PolarHBondContact O-N 3.18Å
386V95.8Very high94.2Very high0 Ų046.9 Ų46.90%025%0.25CC..EExtended strand (participates in β ladder)trans-115.6129.6-178.5177.50000109.2I367 F382 Y384 F388 T407 F408 S461 I462I367-V386 HydrophobicContact CD1-CG1 4.31Å; I367-V386 HydrophobicContact CG2-CG1 4.29Å; F382-V386 HydrophobicContact CE1-CG2 3.82Å; F382-V386 HydrophobicContact CZ-CG2 3.96Å; Y384-V386 WeakPolarHBondContact O-CG2 3.49Å; Y384-V386 PolarHBondContact O-N 3.09Å; V386-F388 HydrophobicContact CG1-CE2 4.35Å; V386-F388 HydrophobicContact CG1-CZ 4.38Å; V386-T407 WeakPolarHBondContact O-CA 3.48Å; V386-F408 HydrophobicContact CB-CD1 4.2Å; V386-F408 HydrophobicContact CB-CE1 3.56Å; V386-F408 HydrophobicContact CB-CE2 4.12Å; V386-F408 HydrophobicContact CB-CZ 3.51Å; V386-F408 HydrophobicContact CG1-CE1 3.62Å; V386-F408 HydrophobicContact CG1-CZ 3.84Å; V386-F408 HydrophobicContact CG2-CE1 4.35Å; V386-F408 HydrophobicContact CG2-CE2 4.19Å; V386-F408 HydrophobicContact CG2-CZ 3.79Å; V386-F408 PolarHBondContact N-O 2.94Å; V386-F408 PolarHBondContact O-N 3.32Å; V386-S461 WeakPolarHBondContact CA-O 2.94Å; V386-I462 HydrophobicContact CB-CD1 4.1Å; V386-I462 HydrophobicContact CG1-CD1 3.87Å; V386-I462 HydrophobicContact CG2-CD1 3.56Å
387T97.5Very high94.1Very high20 Ų2045.2 Ų45.212%0.12325%0.248CC..EExtended strand (participates in β ladder)trans-119.5117.5175-640000109.9T405 E406 T407 A460 S461T387-T405 HydrophobicContact CG2-CG2 3.36Å; T387-E406 CarbonylContact C-O 3.6Å; T387-E406 WeakPolarHBondContact CA-O 3.32Å; T387-T407 VanDerWaalsContact CG2-OG1 3.32Å; T387-T407 WeakPolarHBondContact CG2-OG1 3.29Å; T387-T407 VanDerWaalsContact OG1-CG2 3.31Å; T387-T407 WeakPolarHBondContact OG1-CG2 3.25Å; T387-T407 PolarHBondContact OG1-OG1 2.86Å; T387-A460 CarbonylContact O-C 3.47Å; T387-A460 WeakPolarHBondContact O-CA 3.45Å; T387-S461 PolarHBondContact N-O 3.31Å; T387-S461 PolarHBondContact O-N 3.01Å
388F98.1Very high94Very high0 Ų045.3 Ų45.30%025%0.249CC..EExtended strand (participates in β ladder)trans-89.6146.5168.5-69.5-65.3000110.7V348 V365 I367 V386 T405 E406 F408 Y436 F439 K459 A460V348-F388 HydrophobicContact CG1-CE1 4.01Å; V348-F388 HydrophobicContact CG2-CE1 4.12Å; V365-F388 HydrophobicContact CG1-CB 4.16Å; V365-F388 HydrophobicContact CG1-CD1 4.32Å; V365-F388 HydrophobicContact CG1-CD2 3.91Å; V365-F388 HydrophobicContact CG1-CE2 4.3Å; V365-F388 HydrophobicContact CG1-CG 3.89Å; V365-F388 HydrophobicContact CG2-CD1 3.74Å; V365-F388 HydrophobicContact CG2-CE1 3.75Å; V365-F388 HydrophobicContact CG2-CG 4.18Å; V365-F388 HydrophobicContact CG2-CZ 4.17Å; I367-F388 HydrophobicContact CB-CE1 4.18Å; I367-F388 HydrophobicContact CB-CZ 3.6Å; I367-F388 HydrophobicContact CG2-CE2 4.35Å; I367-F388 HydrophobicContact CG2-CZ 3.78Å; V386-F388 HydrophobicContact CG1-CE2 4.35Å; V386-F388 HydrophobicContact CG1-CZ 4.38Å; F388-T405 VanDerWaalsContact O-CA 3.23Å; F388-T405 WeakPolarHBondContact O-CA 3.39Å; F388-T405 WeakPolarHBondContact O-CG2 3.5Å; F388-E406 PolarHBondContact N-O 2.98Å; F388-E406 PolarHBondContact O-N 2.81Å; F388-F408 HydrophobicContact CD2-CE1 4.29Å; F388-F408 AromaticContact CE2-CE1 3.8Å; F388-F408 HydrophobicContact CE2-CE1 3.8Å; F388-Y436 AromaticContact CD2-CD2 3.88Å; F388-Y436 HydrophobicContact CD2-CD2 3.88Å; F388-Y436 AromaticContact CD2-CE2 3.84Å; F388-Y436 HydrophobicContact CD2-CE2 3.84Å; F388-Y436 HydrophobicContact CE2-CD2 4.38Å; F388-Y436 HydrophobicContact CE2-CE2 4.4Å; F388-F439 HydrophobicContact CB-CE2 3.91Å; F388-F439 HydrophobicContact CB-CZ 3.86Å; F388-K459 CarbonylContact C-O 3.59Å; F388-K459 WeakPolarHBondContact CA-O 3.47Å; F388-A460 HydrophobicContact CD1-CB 4.04Å; F388-A460 HydrophobicContact CE1-CB 4.08Å
389S97.9Very high93.9Very high8 Ų846.3 Ų46.36%0.05626%0.258CS..EExtended strand (participates in β ladder)trans-144.5137169.2-57.50000111.1I404 T405 I458 K459S389-I404 CarbonylContact C-O 3.58Å; S389-I404 WeakPolarHBondContact CA-O 3.46Å; S389-T405 WeakPolarHBondContact OG-CG2 3.24Å; S389-T405 PolarHBondContact OG-OG1 3.12Å; S389-I458 CarbonylContact O-C 3.59Å; S389-I458 WeakPolarHBondContact O-CA 3.45Å; S389-K459 PolarHBondContact N-O 2.88Å; S389-K459 PolarHBondContact O-N 3.33Å
390I97.8Very high93.8Very high0 Ų047.8 Ų47.80%026%0.262CS..EExtended strand (participates in β ladder)trans-93.1123.9159.3-166.8166.9000108.2H403 I404 F439 I440 I445 Y450 I456I390-H403 WeakPolarHBondContact O-CA 3.4Å; I390-I404 HydrophobicContact CG2-CB 3.7Å; I390-I404 HydrophobicContact CG2-CG1 4.18Å; I390-I404 PolarHBondContact N-O 3.46Å; I390-I404 PolarHBondContact O-N 2.97Å; I390-F439 HydrophobicContact CB-CE1 4Å; I390-F439 HydrophobicContact CG2-CE1 4.19Å; I390-I440 HydrophobicContact CD1-CG2 4.17Å; I390-I440 HydrophobicContact CG2-CD1 3.92Å; I390-I445 HydrophobicContact CD1-CD1 3.54Å; I390-I445 HydrophobicContact CD1-CG1 3.99Å; I390-Y450 HydrophobicContact CG1-CD1 4.49Å; I390-Y450 HydrophobicContact CG2-CD1 4.03Å; I390-Y450 HydrophobicContact CG2-CE1 4.27Å; I390-I456 HydrophobicContact CD1-CD1 4.47Å
391L97.6Very high93.9Very high25 Ų2546.2 Ų46.213%0.13126%0.26CS..  trans-84.6123.8-171.3-53.2-176.3000110.7I311 Q393 F457 K459I311-L391 HydrophobicContact CG2-CD1 4.33Å; L391-Q393 PolarHBondContact O-N 3.01Å; L391-F457 HydrophobicContact CB-CB 4.11Å; L391-F457 HydrophobicContact CD1-CB 3.97Å; L391-F457 HydrophobicContact CG-CB 4.14Å; L391-F457 PolarHBondContact N-O 3.19Å; L391-K459 HydrophobicContact CD1-CB 4.29Å; L391-K459 HydrophobicContact CD2-CB 3.93Å; L391-K459 HydrophobicContact CD2-CD 4.12Å; L391-K459 HydrophobicContact CG-CB 4.2Å
392D97.4Very high94Very high4 Ų449.7 Ų49.72%0.02127%0.273CS..  trans-67.1115.5160.3178.82.8000109.1S394 P401 Q402 H403 R448 N449 Y450D392-S394 PolarHBondContact O-N 3.34Å; D392-S394 WeakPolarHBondContact OD1-CB 3.47Å; D392-S394 PolarHBondContact OD1-N 2.63Å; D392-S394 PolarHBondContact OD1-OG 2.86Å; D392-S394 PolarHBondContact OD2-OG 3.03Å; D392-P401 HydrophobicContact CB-CB 4.19Å; D392-Q402 VanDerWaalsContact CB-O 3.31Å; D392-Q402 WeakPolarHBondContact CB-O 3.08Å; D392-Q402 PolarHBondContact OD2-N 3.32Å; D392-H403 PolarHBondContact N-ND1 2.96Å; D392-H403 VanDerWaalsContact N-ND1 3.14Å; D392-R448 IonicContact OD2-CZ 2.92Å; D392-R448 IonicContact OD2-NE 3.66Å; D392-R448 PolarHBondContact OD2-NE 2.89Å; D392-R448 IonicContact OD2-NH2 2.75Å; D392-R448 PolarHBondContact OD2-NH2 2.91Å; D392-N449 WeakPolarHBondContact OD1-CB 3.45Å; D392-Y450 HydrophobicContact CB-CD1 4.08Å; D392-Y450 HydrophobicContact CB-CE1 3.84Å
393Q96.1Very high94.2Very high34 Ų3453.6 Ų53.616%0.15929%0.291CS..  trans-86.828.3-174-53175.157.700112.4L391 N449 Y450 R452 C455 F457L391-Q393 PolarHBondContact O-N 3.01Å; Q393-N449 HydrophobicContact CB-CB 4.4Å; Q393-N449 VanDerWaalsContact CB-O 3.23Å; Q393-N449 WeakPolarHBondContact CB-O 3.31Å; Q393-N449 VanDerWaalsContact CG-O 3.32Å; Q393-N449 WeakPolarHBondContact CG-O 3.47Å; Q393-N449 PolarHBondContact N-O 3.46Å; Q393-Y450 PolarHBondContact NE2-O 3.16Å; Q393-R452 HydrophobicContact CB-CB 4.11Å; Q393-R452 HydrophobicContact CG-CB 4.47Å; Q393-R452 PolarHBondContact O-NH1 3.38Å; Q393-C455 PolarHBondContact NE2-O 3.4Å; Q393-F457 HydrophobicContact CG-CD2 3.98Å; Q393-F457 HydrophobicContact CG-CE2 4.42Å; Q393-F457 VanDerWaalsContact OE1-CE2 3.26Å
394S94.8Very high94.4Very high11 Ų1152.7 Ų52.78%0.07728%0.281CS..  trans-72.2147.5173.7-61.80000110.9D392 P396 N449D392-S394 PolarHBondContact O-N 3.34Å; D392-S394 WeakPolarHBondContact OD1-CB 3.47Å; D392-S394 PolarHBondContact OD1-N 2.63Å; D392-S394 PolarHBondContact OD1-OG 2.86Å; D392-S394 PolarHBondContact OD2-OG 3.03Å; S394-P396 VanDerWaalsContact O-CD 3.25Å; S394-P396 WeakPolarHBondContact O-CD 3.46Å; S394-N449 PolarHBondContact OG-ND2 2.99Å
395D90.6Very high94.6Very high72 Ų7255 Ų5539%0.38530%0.296SS..  trans-66.2116.9175.6-172.6-34.7000109.8S397 L398 S399D395-S397 VanDerWaalsContact CG-OG 3.27Å; D395-S397 PolarHBondContact O-N 2.74Å; D395-S397 VanDerWaalsContact O-N 3.16Å; D395-S397 WeakPolarHBondContact OD1-CB 3.26Å; D395-S397 PolarHBondContact OD1-N 3.46Å; D395-S397 PolarHBondContact OD1-OG 3.49Å; D395-L398 HydrophobicContact CB-CB 4.24Å; D395-L398 HydrophobicContact CB-CD1 3.99Å; D395-L398 HydrophobicContact CB-CG 4.14Å; D395-L398 PolarHBondContact O-N 3.06Å; D395-L398 VanDerWaalsContact O-N 3.08Å; D395-S399 PolarHBondContact O-N 3.39Å
396P89.7Confident94.8Very high101 Ų10155.6 Ų55.666%0.65630%0.3SS*.THydrogen-bonded Turntrans-62.1-22.4-177.4-20.832.3000114.3S394 P401S394-P396 VanDerWaalsContact O-CD 3.25Å; S394-P396 WeakPolarHBondContact O-CD 3.46Å; P396-P401 HydrophobicContact CB-CG 4.15Å; P396-P401 HydrophobicContact CG-CG 3.95Å
397S89.1Confident94.8Very high98 Ų9858.6 Ų58.669%0.68532%0.319SS*.THydrogen-bonded Turntrans-76.1-26.1177.670.90000113D395D395-S397 VanDerWaalsContact CG-OG 3.27Å; D395-S397 PolarHBondContact O-N 2.74Å; D395-S397 VanDerWaalsContact O-N 3.16Å; D395-S397 WeakPolarHBondContact OD1-CB 3.26Å; D395-S397 PolarHBondContact OD1-N 3.46Å; D395-S397 PolarHBondContact OD1-OG 3.49Å
398L89.2Confident94.7Very high145 Ų14558.3 Ų58.376%0.75932%0.316SS*.THydrogen-bonded Turntrans-97.9-37.6-177.1-63.2177.4000112.1D395D395-L398 HydrophobicContact CB-CB 4.24Å; D395-L398 HydrophobicContact CB-CD1 3.99Å; D395-L398 HydrophobicContact CB-CG 4.14Å; D395-L398 PolarHBondContact O-N 3.06Å; D395-L398 VanDerWaalsContact O-N 3.08Å
399S89.6Confident94.4Very high50 Ų5063.8 Ų63.835%0.3535%0.345SS..SBendtrans-153.3139.8179.466.80000110.4D395 P401D395-S399 PolarHBondContact O-N 3.39Å; S399-P401 WeakPolarHBondContact O-CD 3.31Å
400K91Very high94.1Very high181 Ų18164 Ų6479%0.78735%0.346SS*.  trans-61.6118.3176.5-173.6177.7-179.3-1800109.7
401P93.5Very high93.6Very high29 Ų2966.8 Ų66.819%0.18836%0.361CS..  trans-62.5138176.1-2234.8000110.6D392 P396 S399 H403D392-P401 HydrophobicContact CB-CB 4.19Å; P396-P401 HydrophobicContact CB-CG 4.15Å; P396-P401 HydrophobicContact CG-CG 3.95Å; S399-P401 WeakPolarHBondContact O-CD 3.31Å; P401-H403 VanDerWaalsContact CB-CE1 3.47Å; P401-H403 WeakPolarHBondContact CB-CE1 3.23Å
402Q95.3Very high93.1Very high110 Ų11069.6 Ų69.651%0.51438%0.381SS..  trans-110.390.4177.9-63-1767.600109.1D392 R448 Y450D392-Q402 VanDerWaalsContact CB-O 3.31Å; D392-Q402 WeakPolarHBondContact CB-O 3.08Å; D392-Q402 PolarHBondContact OD2-N 3.32Å; Q402-R448 VanDerWaalsContact OE1-NH1 3.1Å; Q402-Y450 WeakPolarHBondContact O-CE1 3.47Å; Q402-Y450 PolarHBondContact O-OH 3.14Å
403H96.7Very high92.5Very high84 Ų8476 Ų7639%0.38942%0.415SS..  trans-74.4143.6176.8-52.1-24.9000110.3I390 D392 P401I390-H403 WeakPolarHBondContact O-CA 3.4Å; D392-H403 PolarHBondContact N-ND1 2.96Å; D392-H403 VanDerWaalsContact N-ND1 3.14Å; P401-H403 VanDerWaalsContact CB-CE1 3.47Å; P401-H403 WeakPolarHBondContact CB-CE1 3.23Å
404I97.4Very high92Very high47 Ų4778.2 Ų78.224%0.24142%0.422CS..EExtended strand (participates in β ladder)trans-89.6124.4165.6-54.6-56.8000107.2S389 I390 I440 Y450S389-I404 CarbonylContact C-O 3.58Å; S389-I404 WeakPolarHBondContact CA-O 3.46Å; I390-I404 HydrophobicContact CG2-CB 3.7Å; I390-I404 HydrophobicContact CG2-CG1 4.18Å; I390-I404 PolarHBondContact N-O 3.46Å; I390-I404 PolarHBondContact O-N 2.97Å; I404-I440 HydrophobicContact CB-CD1 4.44Å; I404-I440 HydrophobicContact CG1-CD1 3.82Å; I404-I440 HydrophobicContact CG1-CG1 4.49Å; I404-Y450 WeakPolarHBondContact CD1-OH 3.47Å; I404-Y450 HydrophobicContact CG1-CE1 4.06Å; I404-Y450 WeakPolarHBondContact CG1-OH 3.27Å
405T97.3Very high91.5Very high64 Ų6484.6 Ų84.639%0.39345%0.448SS..EExtended strand (participates in β ladder)trans-133.1133.6-168.4-62.30000110T387 F388 S389T387-T405 HydrophobicContact CG2-CG2 3.36Å; F388-T405 VanDerWaalsContact O-CA 3.23Å; F388-T405 WeakPolarHBondContact O-CA 3.39Å; F388-T405 WeakPolarHBondContact O-CG2 3.5Å; S389-T405 WeakPolarHBondContact OG-CG2 3.24Å; S389-T405 PolarHBondContact OG-OG1 3.12Å
406E97.6Very high91.2Very high84 Ų8482.9 Ų82.939%0.39344%0.439SS..EExtended strand (participates in β ladder)trans-128.6142.1170.9-70.8-68.5171.600109.5T387 F388 Y436 F439T387-E406 CarbonylContact C-O 3.6Å; T387-E406 WeakPolarHBondContact CA-O 3.32Å; F388-E406 PolarHBondContact N-O 2.98Å; F388-E406 PolarHBondContact O-N 2.81Å; E406-Y436 HydrophobicContact CB-CD1 4.42Å; E406-Y436 HydrophobicContact CB-CD2 3.76Å; E406-Y436 HydrophobicContact CB-CE1 4.09Å; E406-Y436 HydrophobicContact CB-CE2 3.36Å; E406-Y436 HydrophobicContact CB-CG 4.26Å; E406-Y436 HydrophobicContact CG-CD1 4.47Å; E406-Y436 HydrophobicContact CG-CD2 4.35Å; E406-Y436 HydrophobicContact CG-CE1 4.45Å; E406-Y436 HydrophobicContact CG-CE2 4.33Å; E406-Y436 HydrophobicContact CG-CG 4.41Å; E406-F439 HydrophobicContact CB-CD2 4.08Å; E406-F439 HydrophobicContact CB-CE2 3.71Å; E406-F439 HydrophobicContact CG-CD2 3.75Å; E406-F439 HydrophobicContact CG-CE2 3.67Å
407T96.8Very high91.2Very high64 Ų6478.1 Ų78.139%0.39341%0.408SS..EExtended strand (participates in β ladder)trans-132.8135.4-175.2-61.10000110.6K385 V386 T387 Y436K385-T407 HydrophobicContact CD-CG2 3.6Å; K385-T407 HydrophobicContact CG-CG2 3.62Å; V386-T407 WeakPolarHBondContact O-CA 3.48Å; T387-T407 VanDerWaalsContact CG2-OG1 3.32Å; T387-T407 WeakPolarHBondContact CG2-OG1 3.29Å; T387-T407 VanDerWaalsContact OG1-CG2 3.31Å; T387-T407 WeakPolarHBondContact OG1-CG2 3.25Å; T387-T407 PolarHBondContact OG1-OG1 2.86Å; T407-Y436 VanDerWaalsContact C-OH 3.22Å; T407-Y436 PolarHBondContact O-OH 3.12Å
408F94.7Very high91.2Very high14 Ų1476.6 Ų76.66%0.06139%0.39CS..EExtended strand (participates in β ladder)trans-134.2155.8172.867.9-85.1000111.6I367 K385 V386 F388 P410 W414 F417 F434 Y436I367-F408 HydrophobicContact CG2-CE1 4.41Å; I367-F408 HydrophobicContact CG2-CZ 3.85Å; K385-F408 WeakPolarHBondContact CG-O 3.23Å; V386-F408 HydrophobicContact CB-CD1 4.2Å; V386-F408 HydrophobicContact CB-CE1 3.56Å; V386-F408 HydrophobicContact CB-CE2 4.12Å; V386-F408 HydrophobicContact CB-CZ 3.51Å; V386-F408 HydrophobicContact CG1-CE1 3.62Å; V386-F408 HydrophobicContact CG1-CZ 3.84Å; V386-F408 HydrophobicContact CG2-CE1 4.35Å; V386-F408 HydrophobicContact CG2-CE2 4.19Å; V386-F408 HydrophobicContact CG2-CZ 3.79Å; V386-F408 PolarHBondContact N-O 2.94Å; V386-F408 PolarHBondContact O-N 3.32Å; F388-F408 HydrophobicContact CD2-CE1 4.29Å; F388-F408 AromaticContact CE2-CE1 3.8Å; F388-F408 HydrophobicContact CE2-CE1 3.8Å; F408-P410 HydrophobicContact CD2-CG 4.44Å; F408-P410 HydrophobicContact CE2-CG 4.05Å; F408-W414 HydrophobicContact CD2-CH2 4.48Å; F408-W414 AromaticContact CD2-CZ3 3.87Å; F408-W414 HydrophobicContact CD2-CZ3 3.87Å; F408-W414 HydrophobicContact CE2-CZ3 4.26Å; F408-F417 AromaticContact CE2-CE2 3.98Å; F408-F417 HydrophobicContact CE2-CE2 3.98Å; F408-F417 AromaticContact CE2-CZ 3.62Å; F408-F417 HydrophobicContact CE2-CZ 3.62Å; F408-F417 AromaticContact CZ-CZ 3.95Å; F408-F417 HydrophobicContact CZ-CZ 3.95Å; F408-F434 HydrophobicContact CB-CE1 3.98Å; F408-F434 AromaticContact CD1-CD1 3.93Å; F408-F434 HydrophobicContact CD1-CD1 3.93Å; F408-F434 AromaticContact CD1-CE1 3.72Å; F408-F434 HydrophobicContact CD1-CE1 3.72Å; F408-F434 AromaticContact CD2-CD1 3.65Å; F408-F434 HydrophobicContact CD2-CD1 3.65Å; F408-F434 AromaticContact CD2-CE1 3.58Å; F408-F434 HydrophobicContact CD2-CE1 3.58Å; F408-F434 AromaticContact CE1-CD1 3.75Å; F408-F434 HydrophobicContact CE1-CD1 3.75Å; F408-F434 HydrophobicContact CE1-CE1 4.05Å; F408-F434 AromaticContact CE2-CD1 3.47Å; F408-F434 HydrophobicContact CE2-CD1 3.47Å; F408-F434 VanDerWaalsContact CE2-CD1 3.47Å; F408-F434 AromaticContact CE2-CE1 3.92Å; F408-F434 HydrophobicContact CE2-CE1 3.92Å; F408-F434 HydrophobicContact CE2-CG 4.34Å; F408-F434 AromaticContact CG-CD1 3.88Å; F408-F434 HydrophobicContact CG-CD1 3.88Å; F408-F434 AromaticContact CG-CE1 3.47Å; F408-F434 HydrophobicContact CG-CE1 3.47Å; F408-F434 VanDerWaalsContact CG-CE1 3.47Å; F408-F434 AromaticContact CZ-CD1 3.52Å; F408-F434 HydrophobicContact CZ-CD1 3.52Å; F408-F434 HydrophobicContact CZ-CE1 4.14Å; F408-Y436 WeakPolarHBondContact CB-OH 3.32Å; F408-Y436 AromaticContact CD1-CE2 3.99Å; F408-Y436 HydrophobicContact CD1-CE2 3.99Å
409N93.1Very high91.1Very high114 Ų11473.5 Ų73.561%0.6137%0.371SS*.PPolyproline II helixtrans-100.9124.4166.5-61-70.3000107.5K385 D411K385-N409 WeakPolarHBondContact CG-OD1 3.47Å; N409-D411 PolarHBondContact O-N 3.41Å
410P91.4Very high90.9Very high12 Ų1272.2 Ų72.28%0.07836%0.361CS..PPolyproline II helixtrans-55.5124.7176.5-25.533.4000111.9F382 Y384 F408 F417F382-P410 HydrophobicContact CD1-CB 4.12Å; F382-P410 HydrophobicContact CD1-CG 3.65Å; F382-P410 HydrophobicContact CE1-CB 4.47Å; F382-P410 HydrophobicContact CE1-CG 3.53Å; F382-P410 VanDerWaalsContact O-CB 3.26Å; F382-P410 WeakPolarHBondContact O-CB 3.34Å; Y384-P410 WeakPolarHBondContact O-CD 3.18Å; Y384-P410 WeakPolarHBondContact O-CG 3.28Å; F408-P410 HydrophobicContact CD2-CG 4.44Å; F408-P410 HydrophobicContact CE2-CG 4.05Å; P410-F417 HydrophobicContact CB-CD1 4.49Å; P410-F417 HydrophobicContact CB-CD2 3.83Å; P410-F417 HydrophobicContact CB-CE2 4.06Å; P410-F417 HydrophobicContact CB-CG 4.06Å; P410-F417 HydrophobicContact CB-CZ 4.46Å
411D86.9Confident89.9Confident60 Ų6067.5 Ų67.532%0.32135%0.35SS..PPolyproline II helixtrans-77130.3172.6-168.8-61.1000110N409 N413 W414N409-D411 PolarHBondContact O-N 3.41Å; D411-N413 PolarHBondContact O-N 3.34Å; D411-N413 VanDerWaalsContact OD1-CB 3.29Å; D411-N413 WeakPolarHBondContact OD1-CB 3.35Å; D411-N413 PolarHBondContact OD1-N 2.86Å; D411-N413 PolarHBondContact OD1-ND2 2.83Å; D411-W414 HydrophobicContact CB-CD2 3.44Å; D411-W414 VanDerWaalsContact CB-CD2 3.44Å; D411-W414 HydrophobicContact CB-CE3 3.87Å; D411-W414 HydrophobicContact CB-CG 3.74Å; D411-W414 HydrophobicContact CB-CH2 4.3Å; D411-W414 HydrophobicContact CB-CZ2 3.85Å; D411-W414 HydrophobicContact CB-CZ3 4.31Å; D411-W414 WeakPolarHBondContact O-CB 3.46Å; D411-W414 PolarHBondContact O-N 3.26Å
412P86.7Confident88.1Confident83 Ų8372.6 Ų72.654%0.53939%0.386SS..THydrogen-bonded Turntrans-58.2-20.1178.8-25.934.7000115.1P381 Q418P381-P412 HydrophobicContact CG-CB 3.89Å; P412-Q418 PolarHBondContact O-NE2 3.34Å
413N85.9Confident85.8Confident139 Ų13971.9 Ų71.974%0.74339%0.394SS*.THydrogen-bonded Turntrans-87.6-9.2178.9-56-64.1000112.9D411 K415D411-N413 PolarHBondContact O-N 3.34Å; D411-N413 VanDerWaalsContact OD1-CB 3.29Å; D411-N413 WeakPolarHBondContact OD1-CB 3.35Å; D411-N413 PolarHBondContact OD1-N 2.86Å; D411-N413 PolarHBondContact OD1-ND2 2.83Å; N413-K415 PolarHBondContact O-N 2.86Å
414W85.8Confident83.7Confident81 Ų8173.6 Ų73.631%0.30740%0.397SS..  trans-73.3120178.7-68-12.1000110.9F408 D411 N416 F417 Q418 F434F408-W414 HydrophobicContact CD2-CH2 4.48Å; F408-W414 AromaticContact CD2-CZ3 3.87Å; F408-W414 HydrophobicContact CD2-CZ3 3.87Å; F408-W414 HydrophobicContact CE2-CZ3 4.26Å; D411-W414 HydrophobicContact CB-CD2 3.44Å; D411-W414 VanDerWaalsContact CB-CD2 3.44Å; D411-W414 HydrophobicContact CB-CE3 3.87Å; D411-W414 HydrophobicContact CB-CG 3.74Å; D411-W414 HydrophobicContact CB-CH2 4.3Å; D411-W414 HydrophobicContact CB-CZ2 3.85Å; D411-W414 HydrophobicContact CB-CZ3 4.31Å; D411-W414 WeakPolarHBondContact O-CB 3.46Å; D411-W414 PolarHBondContact O-N 3.26Å; W414-N416 PolarHBondContact O-N 2.83Å; W414-N416 VanDerWaalsContact O-N 3.12Å; W414-F417 HydrophobicContact CB-CD2 3.94Å; W414-F417 HydrophobicContact CD2-CD2 4.48Å; W414-F417 HydrophobicContact CD2-CE2 4.49Å; W414-F417 AromaticContact CE3-CD2 3.67Å; W414-F417 HydrophobicContact CE3-CD2 3.67Å; W414-F417 AromaticContact CE3-CE2 3.44Å; W414-F417 HydrophobicContact CE3-CE2 3.44Å; W414-F417 VanDerWaalsContact CE3-CE2 3.44Å; W414-F417 AromaticContact CZ3-CE2 3.98Å; W414-F417 HydrophobicContact CZ3-CE2 3.98Å; W414-F417 PolarHBondContact O-N 3.47Å; W414-F417 VanDerWaalsContact O-N 3.15Å; W414-Q418 PolarHBondContact O-NE2 3.21Å; W414-F434 HydrophobicContact CD2-CD2 4.09Å; W414-F434 HydrophobicContact CD2-CE2 4.21Å; W414-F434 AromaticContact CE2-CE2 3.95Å; W414-F434 AromaticContact CE3-CD2 3.8Å; W414-F434 HydrophobicContact CE3-CD2 3.8Å; W414-F434 HydrophobicContact CE3-CE2 4.02Å; W414-F434 HydrophobicContact CE3-CG 4.11Å; W414-F434 HydrophobicContact CH2-CD1 4.36Å; W414-F434 AromaticContact CH2-CD2 3.88Å; W414-F434 HydrophobicContact CH2-CD2 3.88Å; W414-F434 AromaticContact CH2-CE1 3.8Å; W414-F434 HydrophobicContact CH2-CE1 3.8Å; W414-F434 AromaticContact CH2-CE2 3.23Å; W414-F434 HydrophobicContact CH2-CE2 3.23Å; W414-F434 HydrophobicContact CH2-CG 4.41Å; W414-F434 AromaticContact CH2-CZ 3.19Å; W414-F434 HydrophobicContact CH2-CZ 3.19Å; W414-F434 HydrophobicContact CZ2-CD2 4.21Å; W414-F434 AromaticContact CZ2-CE2 3.49Å; W414-F434 HydrophobicContact CZ2-CE2 3.49Å; W414-F434 VanDerWaalsContact CZ2-CE2 3.49Å; W414-F434 AromaticContact CZ2-CZ 3.84Å; W414-F434 HydrophobicContact CZ2-CZ 3.84Å; W414-F434 AromaticContact CZ3-CD1 3.91Å; W414-F434 HydrophobicContact CZ3-CD1 3.91Å; W414-F434 AromaticContact CZ3-CD2 3.65Å; W414-F434 HydrophobicContact CZ3-CD2 3.65Å; W414-F434 AromaticContact CZ3-CE1 3.79Å; W414-F434 HydrophobicContact CZ3-CE1 3.79Å; W414-F434 AromaticContact CZ3-CE2 3.52Å; W414-F434 HydrophobicContact CZ3-CE2 3.52Å; W414-F434 AromaticContact CZ3-CG 3.85Å; W414-F434 HydrophobicContact CZ3-CG 3.85Å; W414-F434 AromaticContact CZ3-CZ 3.59Å; W414-F434 HydrophobicContact CZ3-CZ 3.59Å
415K83.9Confident81Confident144 Ų14478.1 Ų78.163%0.62642%0.421SS*.G310 helixtrans-59-25.8-178.8-68.2-176.1179.1178.50113.9N413 F417 Q418 R424N413-K415 PolarHBondContact O-N 2.86Å; K415-F417 PolarHBondContact O-N 3.13Å; K415-Q418 PolarHBondContact O-N 3.45Å; K415-R424 PolarHBondContact O-NH2 2.85Å
416N83.8Confident78.2Confident36 Ų3680.5 Ų80.519%0.19344%0.441CS..G310 helixtrans-70.9-18-178.5-58.7-33.3000113.4W414 S430 G433W414-N416 PolarHBondContact O-N 2.83Å; W414-N416 VanDerWaalsContact O-N 3.12Å; N416-S430 WeakPolarHBondContact OD1-CA 3Å; N416-S430 PolarHBondContact OD1-O 3.16Å; N416-G433 PolarHBondContact ND2-O 3.4Å
417F89.1Confident75.4Confident1 Ų184.5 Ų84.50%0.00446%0.464CS..G310 helixtrans-110.94.4-178.1-64.9-59000113.3I367 V369 P381 F382 F408 P410 W414 K415 F434I367-F417 HydrophobicContact CG2-CZ 4.49Å; V369-F417 HydrophobicContact CG2-CD1 3.75Å; V369-F417 HydrophobicContact CG2-CE1 4.3Å; P381-F417 CarbonylContact C-O 3.55Å; P381-F417 WeakPolarHBondContact CA-O 3.48Å; P381-F417 VanDerWaalsContact CB-O 3.3Å; P381-F417 WeakPolarHBondContact CB-O 3.3Å; F382-F417 HydrophobicContact CB-CB 4.11Å; F382-F417 HydrophobicContact CB-CD1 4.13Å; F382-F417 AromaticContact CD1-CD1 3.33Å; F382-F417 HydrophobicContact CD1-CD1 3.33Å; F382-F417 AromaticContact CD1-CE1 3.69Å; F382-F417 HydrophobicContact CD1-CE1 3.69Å; F382-F417 HydrophobicContact CD1-CG 4.08Å; F382-F417 HydrophobicContact CE1-CD1 4.1Å; F382-F417 AromaticContact CE1-CE1 3.98Å; F382-F417 HydrophobicContact CE1-CE1 3.98Å; F382-F417 HydrophobicContact CG-CD1 4.07Å; F382-F417 PolarHBondContact N-O 2.86Å; F408-F417 AromaticContact CE2-CE2 3.98Å; F408-F417 HydrophobicContact CE2-CE2 3.98Å; F408-F417 AromaticContact CE2-CZ 3.62Å; F408-F417 HydrophobicContact CE2-CZ 3.62Å; F408-F417 AromaticContact CZ-CZ 3.95Å; F408-F417 HydrophobicContact CZ-CZ 3.95Å; P410-F417 HydrophobicContact CB-CD1 4.49Å; P410-F417 HydrophobicContact CB-CD2 3.83Å; P410-F417 HydrophobicContact CB-CE2 4.06Å; P410-F417 HydrophobicContact CB-CG 4.06Å; P410-F417 HydrophobicContact CB-CZ 4.46Å; W414-F417 HydrophobicContact CB-CD2 3.94Å; W414-F417 HydrophobicContact CD2-CD2 4.48Å; W414-F417 HydrophobicContact CD2-CE2 4.49Å; W414-F417 AromaticContact CE3-CD2 3.67Å; W414-F417 HydrophobicContact CE3-CD2 3.67Å; W414-F417 AromaticContact CE3-CE2 3.44Å; W414-F417 HydrophobicContact CE3-CE2 3.44Å; W414-F417 VanDerWaalsContact CE3-CE2 3.44Å; W414-F417 AromaticContact CZ3-CE2 3.98Å; W414-F417 HydrophobicContact CZ3-CE2 3.98Å; W414-F417 PolarHBondContact O-N 3.47Å; W414-F417 VanDerWaalsContact O-N 3.15Å; K415-F417 PolarHBondContact O-N 3.13Å; F417-F434 HydrophobicContact CE2-CB 3.55Å; F417-F434 HydrophobicContact CE2-CD1 4.5Å; F417-F434 HydrophobicContact CE2-CG 4.03Å; F417-F434 HydrophobicContact CZ-CB 3.61Å; F417-F434 HydrophobicContact CZ-CG 4.33Å
418Q88.8Confident73Confident66 Ų6684.9 Ų84.931%0.30846%0.464SS..SBendtrans-72.2158.3171-55.4-56-45.400110.8P412 W414 K415 P420P412-Q418 PolarHBondContact O-NE2 3.34Å; W414-Q418 PolarHBondContact O-NE2 3.21Å; K415-Q418 PolarHBondContact O-N 3.45Å; Q418-P420 WeakPolarHBondContact O-CD 3.47Å
419K88.9Confident70.7Confident80 Ų8092.8 Ų92.835%0.34850%0.501SS..PPolyproline II helixtrans-51.4125.1176-169.9169.3-176.3173.90111D375 N376 W380 C421D375-K419 WeakPolarHBondContact O-CE 3.43Å; D375-K419 PolarHBondContact O-NZ 3.2Å; N376-K419 WeakPolarHBondContact OD1-CE 3.48Å; N376-K419 PolarHBondContact OD1-NZ 3.23Å; W380-K419 HydrophobicContact CB-CB 4.25Å; W380-K419 HydrophobicContact CD2-CB 3.54Å; W380-K419 HydrophobicContact CD2-CD 4.42Å; W380-K419 HydrophobicContact CD2-CG 3.86Å; W380-K419 HydrophobicContact CE3-CB 3.92Å; W380-K419 VanDerWaalsContact CE3-N 3.27Å; W380-K419 HydrophobicContact CG-CB 3.68Å; W380-K419 HydrophobicContact CG-CD 4.12Å; W380-K419 HydrophobicContact CG-CG 4.05Å; W380-K419 HydrophobicContact CZ2-CB 4.48Å; W380-K419 HydrophobicContact CZ2-CG 4.09Å; K419-C421 PolarHBondContact O-N 2.94Å
420P84.4Confident68.8Low24 Ų2488 Ų8816%0.15648%0.477CS..PPolyproline II helixtrans-57.7131.4172.6-23.732.6000110.1V369 P371 W380 Q418V369-P420 HydrophobicContact CG1-CG 3.86Å; P371-P420 HydrophobicContact CB-CB 4.2Å; P371-P420 HydrophobicContact CG-CB 3.89Å; W380-P420 HydrophobicContact CH2-CG 4.11Å; Q418-P420 WeakPolarHBondContact O-CD 3.47Å
421C69.9Low67.4Low81 Ų8191 Ų9155%0.54750%0.495SS..  trans-115.3141.4174.6-169.30000108.8K419 S423K419-C421 PolarHBondContact O-N 2.94Å; C421-S423 PolarHBondContact O-N 3.38Å
422S55.2Low66.3Low136 Ų13691.5 Ų91.595%0.95150%0.497SS*.THydrogen-bonded Turntrans-63.4-3-171.8-39.90000115.1
423S47.6Very low66Low96 Ų9688 Ų8867%0.67148%0.476SS*.THydrogen-bonded Turntrans-119.335.9-175.483.30000114.7C421 N425C421-S423 PolarHBondContact O-N 3.38Å; S423-N425 PolarHBondContact O-N 3.3Å
424R51.9Low66.2Low119 Ų11983.6 Ų83.645%0.44945%0.45SS..  trans-84.2108.4172.6-69.7-164.9-178-165.97.9110.7K415 S430K415-R424 PolarHBondContact O-NH2 2.85Å; R424-S430 PolarHBondContact NH1-OG 2.79Å
425N41.5Very low66.5Low142 Ų14280.3 Ų80.376%0.75944%0.441SS*.  trans-69148.7170.3-76.5-21.2000111.2S423 L427S423-N425 PolarHBondContact O-N 3.3Å; N425-L427 PolarHBondContact O-N 2.97Å
426S39.2Very low67Low115 Ų11575.5 Ų75.580%0.80442%0.419SS*.THydrogen-bonded Turntrans-72.621.2-169.582.50000116.7
427L38.6Very low67.5Low168 Ų16875.6 Ų75.688%0.8842%0.422SS*.THydrogen-bonded Turntrans-1188-174.2-96.8139.6000113.8N425N425-L427 PolarHBondContact O-N 2.97Å
428D46.1Very low67.9Low71 Ų7181.1 Ų81.138%0.3845%0.446SS..  trans-92.6130.5179-168.42.8000111.2S430 T431D428-S430 PolarHBondContact O-N 2.93Å; D428-S430 PolarHBondContact OD1-N 3.31Å; D428-S430 WeakPolarHBondContact OD2-CB 3.16Å; D428-S430 PolarHBondContact OD2-OG 3.48Å; D428-T431 WeakPolarHBondContact O-CG2 3.29Å; D428-T431 PolarHBondContact O-N 3.3Å; D428-T431 PolarHBondContact O-OG1 2.95Å
429E47.3Very low68.3Low180 Ų18078.4 Ų78.484%0.84143%0.434SS*.G310 helixtrans-57.1-13.7172.5-74.7-177.1146.800112.5T431E429-T431 PolarHBondContact O-N 3.42Å; E429-T431 VanDerWaalsContact O-N 3.12Å
430S52.4Low68.8Low15 Ų1574.9 Ų74.911%0.10542%0.418CS..G310 helixtrans-68.74.1173.676.40000115.8N416 R424 D428N416-S430 WeakPolarHBondContact OD1-CA 3Å; N416-S430 PolarHBondContact OD1-O 3.16Å; R424-S430 PolarHBondContact NH1-OG 2.79Å; D428-S430 PolarHBondContact O-N 2.93Å; D428-S430 PolarHBondContact OD1-N 3.31Å; D428-S430 WeakPolarHBondContact OD2-CB 3.16Å; D428-S430 PolarHBondContact OD2-OG 3.48Å
431T62.2Low69.4Low74 Ų7475.1 Ų75.145%0.45442%0.42SS..G310 helixtrans-87.7-20.6-176.947.40000114.6R368 D428 E429 G433R368-T431 PolarHBondContact NH1-O 2.81Å; R368-T431 VanDerWaalsContact NH1-O 3.15Å; R368-T431 PolarHBondContact NH2-O 2.82Å; D428-T431 WeakPolarHBondContact O-CG2 3.29Å; D428-T431 PolarHBondContact O-N 3.3Å; D428-T431 PolarHBondContact O-OG1 2.95Å; E429-T431 PolarHBondContact O-N 3.42Å; E429-T431 VanDerWaalsContact O-N 3.12Å; T431-G433 VanDerWaalsContact C-N 3.27Å; T431-G433 PolarHBondContact O-N 3.02Å
432L64.4Low70.7Confident71 Ų7172.4 Ų72.437%0.37240%0.4SS..SBendtrans-73.1-13.5-177.5-93.6136.7000114.2F351F351-L432 HydrophobicContact CE2-CD2 3.85Å; F351-L432 HydrophobicContact CZ-CD2 3.62Å
433G79.6Confident72.6Confident9 Ų973.1 Ų73.19%0.09339%0.388CS..  trans73.5-169.9-172.900000112.5I367 N416 T431I367-G433 CarbonylContact O-C 3.59Å; I367-G433 VanDerWaalsContact O-CA 3.27Å; I367-G433 WeakPolarHBondContact O-CA 3.34Å; N416-G433 PolarHBondContact ND2-O 3.4Å; T431-G433 VanDerWaalsContact C-N 3.27Å; T431-G433 PolarHBondContact O-N 3.02Å
434F89.8Confident75Confident46 Ų4671.5 Ų71.520%0.20237%0.37CS..EExtended strand (participates in β ladder)trans-111.1143.8174.7-178-87.9000110.5Y366 I367 F408 W414 F417Y366-F434 CarbonylContact C-O 3.59Å; Y366-F434 WeakPolarHBondContact CA-O 3.48Å; I367-F434 PolarHBondContact N-O 3.47Å; I367-F434 PolarHBondContact O-N 2.96Å; F408-F434 HydrophobicContact CB-CE1 3.98Å; F408-F434 AromaticContact CD1-CD1 3.93Å; F408-F434 HydrophobicContact CD1-CD1 3.93Å; F408-F434 AromaticContact CD1-CE1 3.72Å; F408-F434 HydrophobicContact CD1-CE1 3.72Å; F408-F434 AromaticContact CD2-CD1 3.65Å; F408-F434 HydrophobicContact CD2-CD1 3.65Å; F408-F434 AromaticContact CD2-CE1 3.58Å; F408-F434 HydrophobicContact CD2-CE1 3.58Å; F408-F434 AromaticContact CE1-CD1 3.75Å; F408-F434 HydrophobicContact CE1-CD1 3.75Å; F408-F434 HydrophobicContact CE1-CE1 4.05Å; F408-F434 AromaticContact CE2-CD1 3.47Å; F408-F434 HydrophobicContact CE2-CD1 3.47Å; F408-F434 VanDerWaalsContact CE2-CD1 3.47Å; F408-F434 AromaticContact CE2-CE1 3.92Å; F408-F434 HydrophobicContact CE2-CE1 3.92Å; F408-F434 HydrophobicContact CE2-CG 4.34Å; F408-F434 AromaticContact CG-CD1 3.88Å; F408-F434 HydrophobicContact CG-CD1 3.88Å; F408-F434 AromaticContact CG-CE1 3.47Å; F408-F434 HydrophobicContact CG-CE1 3.47Å; F408-F434 VanDerWaalsContact CG-CE1 3.47Å; F408-F434 AromaticContact CZ-CD1 3.52Å; F408-F434 HydrophobicContact CZ-CD1 3.52Å; F408-F434 HydrophobicContact CZ-CE1 4.14Å; W414-F434 HydrophobicContact CD2-CD2 4.09Å; W414-F434 HydrophobicContact CD2-CE2 4.21Å; W414-F434 AromaticContact CE2-CE2 3.95Å; W414-F434 AromaticContact CE3-CD2 3.8Å; W414-F434 HydrophobicContact CE3-CD2 3.8Å; W414-F434 HydrophobicContact CE3-CE2 4.02Å; W414-F434 HydrophobicContact CE3-CG 4.11Å; W414-F434 HydrophobicContact CH2-CD1 4.36Å; W414-F434 AromaticContact CH2-CD2 3.88Å; W414-F434 HydrophobicContact CH2-CD2 3.88Å; W414-F434 AromaticContact CH2-CE1 3.8Å; W414-F434 HydrophobicContact CH2-CE1 3.8Å; W414-F434 AromaticContact CH2-CE2 3.23Å; W414-F434 HydrophobicContact CH2-CE2 3.23Å; W414-F434 HydrophobicContact CH2-CG 4.41Å; W414-F434 AromaticContact CH2-CZ 3.19Å; W414-F434 HydrophobicContact CH2-CZ 3.19Å; W414-F434 HydrophobicContact CZ2-CD2 4.21Å; W414-F434 AromaticContact CZ2-CE2 3.49Å; W414-F434 HydrophobicContact CZ2-CE2 3.49Å; W414-F434 VanDerWaalsContact CZ2-CE2 3.49Å; W414-F434 AromaticContact CZ2-CZ 3.84Å; W414-F434 HydrophobicContact CZ2-CZ 3.84Å; W414-F434 AromaticContact CZ3-CD1 3.91Å; W414-F434 HydrophobicContact CZ3-CD1 3.91Å; W414-F434 AromaticContact CZ3-CD2 3.65Å; W414-F434 HydrophobicContact CZ3-CD2 3.65Å; W414-F434 AromaticContact CZ3-CE1 3.79Å; W414-F434 HydrophobicContact CZ3-CE1 3.79Å; W414-F434 AromaticContact CZ3-CE2 3.52Å; W414-F434 HydrophobicContact CZ3-CE2 3.52Å; W414-F434 AromaticContact CZ3-CG 3.85Å; W414-F434 HydrophobicContact CZ3-CG 3.85Å; W414-F434 AromaticContact CZ3-CZ 3.59Å; W414-F434 HydrophobicContact CZ3-CZ 3.59Å; F417-F434 HydrophobicContact CE2-CB 3.55Å; F417-F434 HydrophobicContact CE2-CD1 4.5Å; F417-F434 HydrophobicContact CE2-CG 4.03Å; F417-F434 HydrophobicContact CZ-CB 3.61Å; F417-F434 HydrophobicContact CZ-CG 4.33Å
435G91.5Very high77.1Confident12 Ų1266 Ų6612%0.12435%0.349CS..EExtended strand (participates in β ladder)trans176.5-164-174.600000114.1V365V365-G435 CarbonylContact O-C 3.59Å; V365-G435 WeakPolarHBondContact O-CA 3.19Å
436Y95.6Very high79.6Confident43 Ų4366.7 Ų66.717%0.16935%0.346CS..EExtended strand (participates in β ladder)trans-116.8107-171.6-60.9-75.9000110.2S364 V365 F388 E406 T407 F408 K438 F439S364-Y436 VanDerWaalsContact CA-O 3.28Å; S364-Y436 WeakPolarHBondContact CA-O 3.28Å; S364-Y436 WeakPolarHBondContact CB-O 3.37Å; V365-Y436 HydrophobicContact CG1-CD2 4.39Å; V365-Y436 PolarHBondContact N-O 3.34Å; V365-Y436 PolarHBondContact O-N 3.13Å; F388-Y436 AromaticContact CD2-CD2 3.88Å; F388-Y436 HydrophobicContact CD2-CD2 3.88Å; F388-Y436 AromaticContact CD2-CE2 3.84Å; F388-Y436 HydrophobicContact CD2-CE2 3.84Å; F388-Y436 HydrophobicContact CE2-CD2 4.38Å; F388-Y436 HydrophobicContact CE2-CE2 4.4Å; E406-Y436 HydrophobicContact CB-CD1 4.42Å; E406-Y436 HydrophobicContact CB-CD2 3.76Å; E406-Y436 HydrophobicContact CB-CE1 4.09Å; E406-Y436 HydrophobicContact CB-CE2 3.36Å; E406-Y436 HydrophobicContact CB-CG 4.26Å; E406-Y436 HydrophobicContact CG-CD1 4.47Å; E406-Y436 HydrophobicContact CG-CD2 4.35Å; E406-Y436 HydrophobicContact CG-CE1 4.45Å; E406-Y436 HydrophobicContact CG-CE2 4.33Å; E406-Y436 HydrophobicContact CG-CG 4.41Å; T407-Y436 VanDerWaalsContact C-OH 3.22Å; T407-Y436 PolarHBondContact O-OH 3.12Å; F408-Y436 WeakPolarHBondContact CB-OH 3.32Å; F408-Y436 AromaticContact CD1-CE2 3.99Å; F408-Y436 HydrophobicContact CD1-CE2 3.99Å; Y436-K438 PolarHBondContact O-N 3.02Å; Y436-F439 HydrophobicContact CD2-CD2 4.18Å; Y436-F439 HydrophobicContact CG-CD2 4.39Å
437P94.1Very high82.2Confident39 Ų3967.8 Ų67.825%0.25334%0.336SS..EExtended strand (participates in β ladder)trans-63.9-27.9176.223.2-31.7000112.3G358 S364 Y366G358-P437 WeakPolarHBondContact CA-O 3.14Å; S364-P437 WeakPolarHBondContact CB-O 3.15Å; S364-P437 PolarHBondContact OG-O 2.92Å; Y366-P437 WeakPolarHBondContact OH-CA 2.94Å
438K96.9Very high84.9Confident117 Ų11763.6 Ų63.651%0.50931%0.308SS..EExtended strand (participates in β ladder)trans-117.763.8177-65.5-176.7178.7-177.60111.2S357 Y436S357-K438 VanDerWaalsContact C-CE 3.45Å; S357-K438 WeakPolarHBondContact O-CE 3.22Å; Y436-K438 PolarHBondContact O-N 3.02Å
439F97.8Very high87.3Confident9 Ų963.6 Ų63.64%0.03931%0.308CS..EExtended strand (participates in β ladder)trans-75.6-49.2-175.4-175.2-119.7000112.8L363 V365 F388 I390 E406 Y436L363-F439 HydrophobicContact CD2-CD1 4.04Å; L363-F439 VanDerWaalsContact O-CB 3.31Å; L363-F439 WeakPolarHBondContact O-CB 3.26Å; L363-F439 PolarHBondContact O-N 2.93Å; L363-F439 VanDerWaalsContact O-N 3.12Å; V365-F439 HydrophobicContact CB-CD1 4.35Å; V365-F439 HydrophobicContact CB-CG 4.47Å; V365-F439 HydrophobicContact CG1-CB 3.93Å; V365-F439 HydrophobicContact CG1-CD1 3.73Å; V365-F439 HydrophobicContact CG1-CD2 3.76Å; V365-F439 HydrophobicContact CG1-CE1 4.14Å; V365-F439 HydrophobicContact CG1-CE2 4.19Å; V365-F439 HydrophobicContact CG1-CG 3.52Å; V365-F439 HydrophobicContact CG1-CZ 4.37Å; F388-F439 HydrophobicContact CB-CE2 3.91Å; F388-F439 HydrophobicContact CB-CZ 3.86Å; I390-F439 HydrophobicContact CB-CE1 4Å; I390-F439 HydrophobicContact CG2-CE1 4.19Å; E406-F439 HydrophobicContact CB-CD2 4.08Å; E406-F439 HydrophobicContact CB-CE2 3.71Å; E406-F439 HydrophobicContact CG-CD2 3.75Å; E406-F439 HydrophobicContact CG-CE2 3.67Å; Y436-F439 HydrophobicContact CD2-CD2 4.18Å; Y436-F439 HydrophobicContact CG-CD2 4.39Å
440I98.1Very high89.7Confident5 Ų555.1 Ų55.13%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-147.1133.8173.4-174173.3000109.8H362 L363 I390 I404 E444 I445 Y450H362-I440 CarbonylContact C-O 3.57Å; H362-I440 VanDerWaalsContact CA-O 3.26Å; H362-I440 WeakPolarHBondContact CA-O 3.38Å; H362-I440 WeakPolarHBondContact CB-O 3.28Å; L363-I440 HydrophobicContact CB-CG2 3.87Å; L363-I440 HydrophobicContact CD2-CG2 4.36Å; L363-I440 PolarHBondContact N-O 2.99Å; L363-I440 PolarHBondContact O-N 3.22Å; I390-I440 HydrophobicContact CD1-CG2 4.17Å; I390-I440 HydrophobicContact CG2-CD1 3.92Å; I404-I440 HydrophobicContact CB-CD1 4.44Å; I404-I440 HydrophobicContact CG1-CD1 3.82Å; I404-I440 HydrophobicContact CG1-CG1 4.49Å; I440-E444 HydrophobicContact CD1-CB 4.39Å; I440-E444 HydrophobicContact CD1-CG 4.27Å; I440-E444 HydrophobicContact CG1-CB 3.86Å; I440-E444 HydrophobicContact CG1-CG 4.06Å; I440-I445 HydrophobicContact CD1-CB 3.79Å; I440-I445 HydrophobicContact CD1-CG1 4.06Å; I440-I445 HydrophobicContact CG1-CB 4.11Å; I440-I445 HydrophobicContact CG2-CB 4.46Å; I440-I445 HydrophobicContact CG2-CD1 4.15Å; I440-Y450 HydrophobicContact CD1-CD2 4.16Å; I440-Y450 HydrophobicContact CD1-CE2 4.19Å; I440-Y450 HydrophobicContact CD1-CG 4.47Å
441S97.9Very high91.8Very high29 Ų2956.8 Ų56.820%0.20328%0.276CS..EExtended strand (participates in β ladder)trans-72.1155.7-179.979.60000111.7S361 H362 E443 E444 I445S361-S441 WeakPolarHBondContact O-CA 3.31Å; H362-S441 VanDerWaalsContact CD2-CA 3.45Å; H362-S441 WeakPolarHBondContact CD2-CA 3.32Å; H362-S441 PolarHBondContact CD2-N 3.07Å; H362-S441 WeakPolarHBondContact NE2-CB 3.34Å; S441-E443 PolarHBondContact O-N 3.31Å; S441-E443 PolarHBondContact OG-N 2.98Å; S441-E444 PolarHBondContact O-N 3.17Å; S441-E444 VanDerWaalsContact OG-CB 3.31Å; S441-E444 WeakPolarHBondContact OG-CB 3.25Å; S441-E444 PolarHBondContact OG-N 3.39Å; S441-I445 WeakPolarHBondContact O-CG2 3.31Å; S441-I445 PolarHBondContact O-N 2.95Å
442H96.8Very high93.5Very high24 Ų2458.6 Ų58.611%0.11127%0.274CS..THydrogen-bonded Turntrans-65.4-18.4175.5-71.6-179.6000113.6L352 N353 S361 H362 K446L352-H442 PolarHBondContact O-NE2 3.43Å; N353-H442 PolarHBondContact OD1-CE1 2.8Å; S361-H442 PolarHBondContact O-N 3.5Å; H362-H442 PolarHBondContact O-NE2 3.29Å; H442-K446 VanDerWaalsContact O-CD 3.31Å; H442-K446 WeakPolarHBondContact O-CD 3.5Å; H442-K446 VanDerWaalsContact O-CE 3.26Å; H442-K446 WeakPolarHBondContact O-CE 3.25Å; H442-K446 WeakPolarHBondContact O-CG 3.3Å
443E96.3Very high94.9Very high152 Ų15261.7 Ų61.771%0.7129%0.291SS*.THydrogen-bonded Turntrans-80.1-46.6171.6-63.9-177.2171.100110.7S441 K446S441-E443 PolarHBondContact O-N 3.31Å; S441-E443 PolarHBondContact OG-N 2.98Å; E443-K446 PolarHBondContact O-N 2.84Å
444E96.6Very high95.7Very high61 Ų6164 Ų6429%0.28530%0.302SS..G310 helixtrans-66.5-41.3-177.1-16761.6-143.400112.1I440 S441 K446 K447I440-E444 HydrophobicContact CD1-CB 4.39Å; I440-E444 HydrophobicContact CD1-CG 4.27Å; I440-E444 HydrophobicContact CG1-CB 3.86Å; I440-E444 HydrophobicContact CG1-CG 4.06Å; S441-E444 PolarHBondContact O-N 3.17Å; S441-E444 VanDerWaalsContact OG-CB 3.31Å; S441-E444 WeakPolarHBondContact OG-CB 3.25Å; S441-E444 PolarHBondContact OG-N 3.39Å; E444-K446 PolarHBondContact O-N 2.82Å; E444-K447 WeakPolarHBondContact O-CB 3.29Å; E444-K447 PolarHBondContact O-N 2.98Å; E444-K447 WeakPolarHBondContact OE2-CD 3.38Å; E444-K447 VanDerWaalsContact OE2-CE 3.23Å; E444-K447 WeakPolarHBondContact OE2-CE 3.31Å; E444-K447 IonicContact OE2-NZ 3.35Å; E444-K447 PolarHBondContact OE2-NZ 3.14Å
445I96.2Very high96.1Very high3 Ų362.4 Ų62.42%0.01530%0.296CS..G310 helixtrans-61.4-18.4179.6-160.2170.1000113L363 I390 I440 S441 I451L363-I445 HydrophobicContact CD1-CD1 4.23Å; I390-I445 HydrophobicContact CD1-CD1 3.54Å; I390-I445 HydrophobicContact CD1-CG1 3.99Å; I440-I445 HydrophobicContact CD1-CB 3.79Å; I440-I445 HydrophobicContact CD1-CG1 4.06Å; I440-I445 HydrophobicContact CG1-CB 4.11Å; I440-I445 HydrophobicContact CG2-CB 4.46Å; I440-I445 HydrophobicContact CG2-CD1 4.15Å; S441-I445 WeakPolarHBondContact O-CG2 3.31Å; S441-I445 PolarHBondContact O-N 2.95Å; I445-I451 HydrophobicContact CD1-CD1 4.32Å; I445-I451 HydrophobicContact CD1-CG1 4.31Å; I445-I451 HydrophobicContact CG1-CD1 4.04Å; I445-I451 HydrophobicContact CG1-CG1 4.08Å; I445-I451 HydrophobicContact CG2-CD1 4.11Å
446K95.1Very high96.4Very high158 Ų15861.8 Ų61.869%0.68729%0.29SS*.G310 helixtrans-91.6-11.3177.7-64174.3-174.1171.50113.7H442 E443 E444H442-K446 VanDerWaalsContact O-CD 3.31Å; H442-K446 WeakPolarHBondContact O-CD 3.5Å; H442-K446 VanDerWaalsContact O-CE 3.26Å; H442-K446 WeakPolarHBondContact O-CE 3.25Å; H442-K446 WeakPolarHBondContact O-CG 3.3Å; E443-K446 PolarHBondContact O-N 2.84Å; E444-K446 PolarHBondContact O-N 2.82Å
447K94.2Very high96.5Very high138 Ų13862.1 Ų62.160%0.629%0.292SS*.SBendtrans-76.1-24.3-173.3-67-174.5-172.4167.20113.9E444E444-K447 WeakPolarHBondContact O-CB 3.29Å; E444-K447 PolarHBondContact O-N 2.98Å; E444-K447 WeakPolarHBondContact OE2-CD 3.38Å; E444-K447 VanDerWaalsContact OE2-CE 3.23Å; E444-K447 WeakPolarHBondContact OE2-CE 3.31Å; E444-K447 IonicContact OE2-NZ 3.35Å; E444-K447 PolarHBondContact OE2-NZ 3.14Å
448R94.9Very high96.7Very high79 Ų7960.3 Ų60.330%0.29828%0.28SS..SBendtrans-134.2-173.2-179.6-56-17170.6965110.9D392 Q402 Y450D392-R448 IonicContact OD2-CZ 2.92Å; D392-R448 IonicContact OD2-NE 3.66Å; D392-R448 PolarHBondContact OD2-NE 2.89Å; D392-R448 IonicContact OD2-NH2 2.75Å; D392-R448 PolarHBondContact OD2-NH2 2.91Å; Q402-R448 VanDerWaalsContact OE1-NH1 3.1Å; R448-Y450 HydrophobicContact CB-CD2 3.95Å; R448-Y450 HydrophobicContact CB-CE2 3.68Å; R448-Y450 HydrophobicContact CG-CE2 4.05Å; R448-Y450 PolarHBondContact O-N 2.89Å
449N96.1Very high96.7Very high71 Ų7157.7 Ų57.738%0.3827%0.269SS..THydrogen-bonded Turntrans-77.836-179.4-60.4-48.2000113.3D392 Q393 S394 I451D392-N449 WeakPolarHBondContact OD1-CB 3.45Å; Q393-N449 HydrophobicContact CB-CB 4.4Å; Q393-N449 VanDerWaalsContact CB-O 3.23Å; Q393-N449 WeakPolarHBondContact CB-O 3.31Å; Q393-N449 VanDerWaalsContact CG-O 3.32Å; Q393-N449 WeakPolarHBondContact CG-O 3.47Å; Q393-N449 PolarHBondContact N-O 3.46Å; S394-N449 PolarHBondContact OG-ND2 2.99Å; N449-I451 VanDerWaalsContact C-N 3.31Å
450Y97.4Very high96.6Very high3 Ų357.3 Ų57.31%0.01227%0.267CS..THydrogen-bonded Turntrans-67-37.4173-56.5-65.4000111.1I390 D392 Q393 Q402 I404 I440 R448 I456I390-Y450 HydrophobicContact CG1-CD1 4.49Å; I390-Y450 HydrophobicContact CG2-CD1 4.03Å; I390-Y450 HydrophobicContact CG2-CE1 4.27Å; D392-Y450 HydrophobicContact CB-CD1 4.08Å; D392-Y450 HydrophobicContact CB-CE1 3.84Å; Q393-Y450 PolarHBondContact NE2-O 3.16Å; Q402-Y450 WeakPolarHBondContact O-CE1 3.47Å; Q402-Y450 PolarHBondContact O-OH 3.14Å; I404-Y450 WeakPolarHBondContact CD1-OH 3.47Å; I404-Y450 HydrophobicContact CG1-CE1 4.06Å; I404-Y450 WeakPolarHBondContact CG1-OH 3.27Å; I440-Y450 HydrophobicContact CD1-CD2 4.16Å; I440-Y450 HydrophobicContact CD1-CE2 4.19Å; I440-Y450 HydrophobicContact CD1-CG 4.47Å; R448-Y450 HydrophobicContact CB-CD2 3.95Å; R448-Y450 HydrophobicContact CB-CE2 3.68Å; R448-Y450 HydrophobicContact CG-CE2 4.05Å; R448-Y450 PolarHBondContact O-N 2.89Å; Y450-I456 WeakPolarHBondContact O-CG2 3.27Å
451I97.1Very high96.5Very high50 Ų5057.9 Ų57.926%0.25627%0.272SS..SBendtrans-105.1112.9169-55.4158.8000107.5Y317 I445 N449 C455 I456Y317-I451 HydrophobicContact CD1-CD1 3.85Å; Y317-I451 HydrophobicContact CD1-CG1 4.03Å; Y317-I451 HydrophobicContact CD1-CG2 4.03Å; Y317-I451 HydrophobicContact CE1-CD1 3.35Å; Y317-I451 HydrophobicContact CE1-CG1 3.91Å; Y317-I451 HydrophobicContact CG-CG2 4.49Å; I445-I451 HydrophobicContact CD1-CD1 4.32Å; I445-I451 HydrophobicContact CD1-CG1 4.31Å; I445-I451 HydrophobicContact CG1-CD1 4.04Å; I445-I451 HydrophobicContact CG1-CG1 4.08Å; I445-I451 HydrophobicContact CG2-CD1 4.11Å; N449-I451 VanDerWaalsContact C-N 3.31Å; I451-C455 WeakPolarHBondContact CA-O 3.15Å; I451-I456 HydrophobicContact CB-CG2 4.28Å; I451-I456 HydrophobicContact CG1-CG2 3.58Å
452R96.4Very high96.3Very high111 Ų11156.7 Ų56.742%0.41926%0.263SS..BIsolated β-bridgetrans-139.3140.1176.7-172.8179.1175.21732.3108.5Q393 N454 C455Q393-R452 HydrophobicContact CB-CB 4.11Å; Q393-R452 HydrophobicContact CG-CB 4.47Å; Q393-R452 PolarHBondContact O-NH1 3.38Å; R452-N454 PolarHBondContact O-N 3.25Å; R452-N454 VanDerWaalsContact O-N 3.14Å; R452-C455 PolarHBondContact N-O 3.43Å; R452-C455 VanDerWaalsContact N-O 3.11Å; R452-C455 PolarHBondContact O-N 3.29Å; R452-C455 VanDerWaalsContact O-O 3.12Å
453D95.6Very high96.1Very high136 Ų13659 Ų5973%0.72728%0.277SS*.THydrogen-bonded Turntrans49.941.3-176.9-54.3-39.7000113C455D453-C455 PolarHBondContact O-N 2.76Å; D453-C455 VanDerWaalsContact O-N 3.17Å; D453-C455 PolarHBondContact O-SG 2.61Å
454N96Very high95.7Very high58 Ų5852.6 Ų52.631%0.3125%0.247SC..THydrogen-bonded Turntrans55.628.8-177.3-162.129.2000114.1D316 Y317 S318 R452D316-N454 PolarHBondContact N-O 3.5Å; D316-N454 VanDerWaalsContact N-O 3.09Å; Y317-N454 PolarHBondContact N-O 3.35Å; Y317-N454 PolarHBondContact N-OD1 2.93Å; S318-N454 VanDerWaalsContact CB-OD1 3.3Å; S318-N454 WeakPolarHBondContact CB-OD1 2.92Å; S318-N454 PolarHBondContact N-OD1 3.48Å; S318-N454 PolarHBondContact OG-OD1 3.19Å; R452-N454 PolarHBondContact O-N 3.25Å; R452-N454 VanDerWaalsContact O-N 3.14Å
455C97.1Very high94.9Very high12 Ų1252.4 Ų52.48%0.08125%0.251CS..EExtended strand (participates in β ladder)trans-131.1151.8-179.8-59.90000111.4K313 L314 Q393 I451 R452 D453K313-C455 WeakPolarHBondContact CE-SG 3.2Å; L314-C455 VanDerWaalsContact O-CA 3.3Å; L314-C455 WeakPolarHBondContact O-CA 3.3Å; Q393-C455 PolarHBondContact NE2-O 3.4Å; I451-C455 WeakPolarHBondContact CA-O 3.15Å; R452-C455 PolarHBondContact N-O 3.43Å; R452-C455 VanDerWaalsContact N-O 3.11Å; R452-C455 PolarHBondContact O-N 3.29Å; R452-C455 VanDerWaalsContact O-O 3.12Å; D453-C455 PolarHBondContact O-N 2.76Å; D453-C455 VanDerWaalsContact O-N 3.17Å; D453-C455 PolarHBondContact O-SG 2.61Å
456I98Very high93.6Very high0 Ų060.5 Ų60.50%029%0.289CS..EExtended strand (participates in β ladder)trans-122.3158164.667.9170.7000110.1L314 Y317 L352 L363 I390 Y450 I451 I458L314-I456 HydrophobicContact CB-CD1 4.37Å; L314-I456 HydrophobicContact CB-CG1 3.65Å; L314-I456 HydrophobicContact CD1-CD1 3.91Å; L314-I456 HydrophobicContact CD1-CG1 4.05Å; L314-I456 PolarHBondContact N-O 3.01Å; L314-I456 PolarHBondContact O-N 3.26Å; L314-I456 VanDerWaalsContact O-N 3.08Å; Y317-I456 HydrophobicContact CD2-CB 4.43Å; Y317-I456 HydrophobicContact CD2-CD1 3.86Å; Y317-I456 HydrophobicContact CD2-CG1 4Å; Y317-I456 HydrophobicContact CD2-CG2 3.6Å; Y317-I456 HydrophobicContact CE2-CD1 3.81Å; Y317-I456 HydrophobicContact CE2-CG1 4.42Å; Y317-I456 HydrophobicContact CE2-CG2 3.92Å; Y317-I456 HydrophobicContact CG-CG2 4Å; L352-I456 HydrophobicContact CD2-CD1 4.13Å; L363-I456 HydrophobicContact CD1-CD1 3.68Å; I390-I456 HydrophobicContact CD1-CD1 4.47Å; Y450-I456 WeakPolarHBondContact O-CG2 3.27Å; I451-I456 HydrophobicContact CB-CG2 4.28Å; I451-I456 HydrophobicContact CG1-CG2 3.58Å; I456-I458 HydrophobicContact CD1-CD1 4.24Å; I456-I458 HydrophobicContact CD1-CG1 4.28Å
457F97.9Very high92.1Very high49 Ų4962.7 Ų62.722%0.21530%0.298CS..EExtended strand (participates in β ladder)trans-121.8120.5173.2-69.8-93000110.3I311 W312 K313 L391 Q393I311-F457 HydrophobicContact CG2-CB 4.48Å; I311-F457 HydrophobicContact CG2-CD1 3.72Å; I311-F457 HydrophobicContact CG2-CE1 4.46Å; W312-F457 WeakPolarHBondContact O-CA 3.2Å; K313-F457 HydrophobicContact CB-CD1 3.8Å; K313-F457 HydrophobicContact CB-CE1 3.52Å; K313-F457 HydrophobicContact CB-CZ 4.21Å; K313-F457 HydrophobicContact CD-CE1 3.72Å; K313-F457 HydrophobicContact CD-CE2 4.47Å; K313-F457 HydrophobicContact CD-CZ 3.59Å; K313-F457 HydrophobicContact CG-CD1 4.07Å; K313-F457 HydrophobicContact CG-CE1 3.56Å; K313-F457 HydrophobicContact CG-CE2 4.33Å; K313-F457 HydrophobicContact CG-CZ 3.71Å; L391-F457 HydrophobicContact CB-CB 4.11Å; L391-F457 HydrophobicContact CD1-CB 3.97Å; L391-F457 HydrophobicContact CG-CB 4.14Å; L391-F457 PolarHBondContact N-O 3.19Å; Q393-F457 HydrophobicContact CG-CD2 3.98Å; Q393-F457 HydrophobicContact CG-CE2 4.42Å; Q393-F457 VanDerWaalsContact OE1-CE2 3.26Å
458I98Very high90.6Very high1 Ų159.9 Ų59.91%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-104118.1173-59.4176.6000107.3W312 L314 V348 A350 V365 S389 I456W312-I458 WeakPolarHBondContact CB-O 3.38Å; W312-I458 HydrophobicContact CE3-CB 4.13Å; W312-I458 HydrophobicContact CE3-CD1 3.97Å; W312-I458 HydrophobicContact CE3-CG2 4.49Å; W312-I458 HydrophobicContact CZ3-CD1 3.93Å; W312-I458 PolarHBondContact N-O 2.94Å; W312-I458 PolarHBondContact O-N 3.03Å; L314-I458 HydrophobicContact CD1-CD1 3.76Å; L314-I458 HydrophobicContact CD1-CG1 4.48Å; V348-I458 HydrophobicContact CG1-CG2 4.21Å; A350-I458 HydrophobicContact CB-CD1 3.68Å; V365-I458 HydrophobicContact CG2-CG2 3.92Å; S389-I458 CarbonylContact O-C 3.59Å; S389-I458 WeakPolarHBondContact O-CA 3.45Å; I456-I458 HydrophobicContact CD1-CD1 4.24Å; I456-I458 HydrophobicContact CD1-CG1 4.28Å
459K96.8Very high88.8Confident63 Ų6360.9 Ų60.927%0.27430%0.298SS..EExtended strand (participates in β ladder)trans-99.9131.6175.5175.8175.8167.6172.80109.3V309 L310 I311 F388 S389 L391 S461V309-K459 HydrophobicContact CG1-CD 4.1Å; V309-K459 HydrophobicContact CG1-CG 3.98Å; L310-K459 CarbonylContact O-C 3.49Å; L310-K459 VanDerWaalsContact O-CA 3.24Å; L310-K459 WeakPolarHBondContact O-CA 3.24Å; I311-K459 HydrophobicContact CG1-CB 4.43Å; I311-K459 HydrophobicContact CG1-CD 4.43Å; I311-K459 HydrophobicContact CG1-CG 4.23Å; F388-K459 CarbonylContact C-O 3.59Å; F388-K459 WeakPolarHBondContact CA-O 3.47Å; S389-K459 PolarHBondContact N-O 2.88Å; S389-K459 PolarHBondContact O-N 3.33Å; L391-K459 HydrophobicContact CD1-CB 4.29Å; L391-K459 HydrophobicContact CD2-CB 3.93Å; L391-K459 HydrophobicContact CD2-CD 4.12Å; L391-K459 HydrophobicContact CG-CB 4.2Å; K459-S461 WeakPolarHBondContact CE-OG 3.45Å
460A96.3Very high86.3Confident0 Ų064 Ų640%035%0.348CS..EExtended strand (participates in β ladder)trans-116.7122.1166.100000108.1V309 L310 V348 T387 F388V309-A460 WeakPolarHBondContact CA-O 3.25Å; L310-A460 HydrophobicContact CB-CB 4.49Å; L310-A460 PolarHBondContact N-O 3.37Å; L310-A460 PolarHBondContact O-N 3.32Å; V348-A460 HydrophobicContact CG2-CB 3.63Å; T387-A460 CarbonylContact O-C 3.47Å; T387-A460 WeakPolarHBondContact O-CA 3.45Å; F388-A460 HydrophobicContact CD1-CB 4.04Å; F388-A460 HydrophobicContact CE1-CB 4.08Å
461S95.4Very high85.8Confident17 Ų1767.1 Ų67.112%0.11937%0.365CS..EExtended strand (participates in β ladder)trans-113.2129.3176.8-46.80000108.8G308 V386 T387 K459G308-S461 CarbonylContact O-C 3.55Å; G308-S461 WeakPolarHBondContact O-CA 3.43Å; V386-S461 WeakPolarHBondContact CA-O 2.94Å; T387-S461 PolarHBondContact N-O 3.31Å; T387-S461 PolarHBondContact O-N 3.01Å; K459-S461 WeakPolarHBondContact CE-OG 3.45Å
462I94.9Very high85.2Confident4 Ų468 Ų682%0.02137%0.37CS..EExtended strand (participates in β ladder)trans-112.2119.4-179-49.2-61.2000107.1G308 F337 T339 L346 I367 F382 Y384 K385 V386 I464G308-I462 PolarHBondContact O-N 3.49Å; F337-I462 HydrophobicContact CE2-CG1 4.38Å; T339-I462 HydrophobicContact CG2-CB 4.28Å; T339-I462 HydrophobicContact CG2-CG1 4.15Å; T339-I462 HydrophobicContact CG2-CG2 3.87Å; L346-I462 HydrophobicContact CD1-CD1 3.78Å; L346-I462 HydrophobicContact CD1-CG1 3.94Å; I367-I462 HydrophobicContact CD1-CD1 3.96Å; F382-I462 HydrophobicContact CE2-CG2 4.42Å; F382-I462 HydrophobicContact CZ-CG2 4.16Å; Y384-I462 HydrophobicContact CD2-CG2 3.81Å; Y384-I462 HydrophobicContact CG-CG2 4.19Å; K385-I462 WeakPolarHBondContact O-CA 3.44Å; V386-I462 HydrophobicContact CB-CD1 4.1Å; V386-I462 HydrophobicContact CG1-CD1 3.87Å; V386-I462 HydrophobicContact CG2-CD1 3.56Å; I462-I464 WeakPolarHBondContact O-CG1 3.46Å; I462-I464 PolarHBondContact O-N 3.28Å; I462-I464 VanDerWaalsContact O-N 3.09Å
463D92.6Very high84.6Confident74 Ų7465.6 Ų65.640%0.39637%0.368SS..  trans-77.3100.9179.6-78.426.9000109.7K385K385-D463 HydrophobicContact CB-CB 4.06Å; K385-D463 WeakPolarHBondContact CE-OD2 3.31Å; K385-D463 IonicContact NZ-OD1 3.6Å; K385-D463 IonicContact NZ-OD2 2.78Å; K385-D463 PolarHBondContact NZ-OD2 3Å; K385-D463 PolarHBondContact O-N 3.18Å
464I87.2Confident83.9Confident17 Ų1761.5 Ų61.59%0.08735%0.346CS..  trans-85.4129.2-179.2-47-175.9000109.1T339 H340 Y384 I462 Q466 I468 M469T339-I464 WeakPolarHBondContact O-CD1 3.44Å; H340-I464 HydrophobicContact CB-CD1 3.69Å; Y384-I464 HydrophobicContact CE2-CG2 4.37Å; I462-I464 WeakPolarHBondContact O-CG1 3.46Å; I462-I464 PolarHBondContact O-N 3.28Å; I462-I464 VanDerWaalsContact O-N 3.09Å; I464-Q466 PolarHBondContact O-N 2.84Å; I464-I468 HydrophobicContact CG2-CB 4.4Å; I464-M469 HydrophobicContact CB-CG 4.3Å; I464-M469 HydrophobicContact CB-SD 4.11Å; I464-M469 HydrophobicContact CG2-CG 3.98Å; I464-M469 HydrophobicContact CG2-SD 4.44Å
465P80.2Confident83.2Confident57 Ų5761.7 Ų61.737%0.3735%0.349SS..  trans-56130.1175-24.833.3000111.8Y384 K467 I468Y384-P465 HydrophobicContact CD1-CG 4.21Å; Y384-P465 VanDerWaalsContact CE1-CD 3.47Å; Y384-P465 HydrophobicContact CE1-CG 3.7Å; P465-K467 PolarHBondContact O-N 3.08Å; P465-I468 HydrophobicContact CB-CD1 4.09Å; P465-I468 HydrophobicContact CB-CG1 4.42Å; P465-I468 HydrophobicContact CG-CD1 4.07Å; P465-I468 PolarHBondContact O-N 3.33Å
466Q69.1Low82.2Confident172 Ų17265 Ų6580%0.80437%0.366SS*.G310 helixtrans-56.9-24.9-176-72.1-177.2-14.600114.4I464 I468 M469I464-Q466 PolarHBondContact O-N 2.84Å; Q466-I468 PolarHBondContact O-N 3.12Å; Q466-M469 HydrophobicContact CG-CE 4.33Å; Q466-M469 PolarHBondContact O-N 2.99Å
467K62.9Low81.1Confident205 Ų20569.6 Ų69.689%0.89139%0.393SS*.G310 helixtrans-65.8-17.4176.9-67.7-177179.8178.90114P465P465-K467 PolarHBondContact O-N 3.08Å
468I63.4Low79.8Confident78 Ų7871.2 Ų71.240%0.441%0.406SS..G310 helixtrans-100.7-16.1-174-56.5174.3000111.2H340 Y384 I464 P465 Q466H340-I468 VanDerWaalsContact NE2-CG2 3.3Å; H340-I468 WeakPolarHBondContact NE2-CG2 3.38Å; Y384-I468 WeakPolarHBondContact OH-CD1 3.28Å; I464-I468 HydrophobicContact CG2-CB 4.4Å; P465-I468 HydrophobicContact CB-CD1 4.09Å; P465-I468 HydrophobicContact CB-CG1 4.42Å; P465-I468 HydrophobicContact CG-CD1 4.07Å; P465-I468 PolarHBondContact O-N 3.33Å; Q466-I468 PolarHBondContact O-N 3.12Å
469M55.5Low78.3Confident100 Ų10077.1 Ų77.149%0.49344%0.44SS..  trans-91.79.2-179.3-61.5-164.5-68.900113.8I464 Q466I464-M469 HydrophobicContact CB-CG 4.3Å; I464-M469 HydrophobicContact CB-SD 4.11Å; I464-M469 HydrophobicContact CG2-CG 3.98Å; I464-M469 HydrophobicContact CG2-SD 4.44Å; Q466-M469 HydrophobicContact CG-CE 4.33Å; Q466-M469 PolarHBondContact O-N 2.99Å
470G45.1Very low76.6Confident138 Ų13878.4 Ų78.4100%1.42346%0.455SS*.  trans-95.20-176.200000114.5

Retrieved 470 of 470 residues in 622.6 ms (Link to these results)

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