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E3 ubiquitin-protein ligase PDZRN3

E3 ubiquitin-protein ligase. Plays an important role in regulating the surface level of MUSK on myotubes. Mediates the ubiquitination of MUSK, promoting its endocytosis and lysosomal degradation. Might contribute to terminal myogenic differentiation.

AlphaFold DB , UniProt , Accession A0A096MV94, Species PAPAN (Papio anubis, Olive baboon), Gene PDZRN3, Length 1,066 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
1M83.8Confident89.1Confident131 Ų13177 Ų7765%0.64542%0.416SS*.  0145.30-78.6-64.4-120.900108.3E26 G40 C41M1-E26 WeakPolarHBondContact CA-OE2 3.45Å; M1-E26 PolarHBondContact N-OE2 3.26Å; M1-G40 VanDerWaalsContact SD-O 3.36Å; M1-C41 HydrophobicContact SD-CB 4.38Å; M1-C41 PolarHBondContact SD-SG 3.28Å
2G87.8Confident89.2Confident2 Ų271.8 Ų71.82%0.02139%0.389CS..  trans-36.9145.3-171.400000117.7E4 K23 V24 C38G2-E4 PolarHBondContact O-N 3.39Å; G2-K23 VanDerWaalsContact O-CB 3.3Å; G2-K23 WeakPolarHBondContact O-CB 3.42Å; G2-K23 WeakPolarHBondContact O-CD 3.36Å; G2-V24 CarbonylContact C-O 3.56Å; G2-V24 WeakPolarHBondContact CA-O 3.44Å; G2-C38 VanDerWaalsContact CA-SG 3.58Å
3F91.7Very high89.3Confident52 Ų5272.8 Ų72.823%0.22839%0.394CS..BIsolated β-bridgetrans-66.1130.5-175.2-52.7-79000112.4F8 K23 V24 E26 L95F3-F8 HydrophobicContact CB-CE2 3.66Å; F3-F8 HydrophobicContact CB-CZ 3.76Å; F3-F8 HydrophobicContact CG-CZ 4.32Å; F3-K23 WeakPolarHBondContact O-CB 3.32Å; F3-V24 HydrophobicContact CB-CB 4.28Å; F3-V24 PolarHBondContact N-O 3.25Å; F3-V24 PolarHBondContact O-N 3.47Å; F3-E26 HydrophobicContact CD2-CB 4.08Å; F3-E26 HydrophobicContact CE2-CB 3.8Å; F3-E26 HydrophobicContact CE2-CG 4.08Å; F3-E26 HydrophobicContact CZ-CB 4.22Å; F3-E26 HydrophobicContact CZ-CG 3.99Å; F3-L95 HydrophobicContact CD1-CD1 4.31Å; F3-L95 HydrophobicContact CD2-CD2 4.1Å; F3-L95 HydrophobicContact CE1-CD1 4.1Å; F3-L95 HydrophobicContact CE2-CD2 3.79Å; F3-L95 HydrophobicContact CZ-CD1 4.25Å; F3-L95 HydrophobicContact CZ-CD2 4.11Å
4E91.1Very high89.3Confident83 Ų8374 Ų7439%0.38841%0.407SS..  trans-55.6135.5179.9-52-65.4175.800112.7G2 D6 R7 F8 K23G2-E4 PolarHBondContact O-N 3.39Å; E4-D6 WeakPolarHBondContact CB-OD1 3.1Å; E4-R7 HydrophobicContact CB-CG 4.25Å; E4-F8 VanDerWaalsContact O-CD2 3.27Å; E4-F8 WeakPolarHBondContact O-CD2 3.44Å; E4-F8 WeakPolarHBondContact O-CE2 3.5Å; E4-K23 IonicContact OE1-NZ 3.2Å; E4-K23 PolarHBondContact OE1-NZ 3.18Å; E4-K23 WeakPolarHBondContact OE2-CD 3.34Å; E4-K23 WeakPolarHBondContact OE2-CE 3.35Å; E4-K23 IonicContact OE2-NZ 3.33Å; E4-K23 PolarHBondContact OE2-NZ 3.08Å
5L90.3Very high89.4Confident69 Ų6977.8 Ų77.836%0.36143%0.427SS..G310 helixtrans-70-35.8-174.5-76.2166.8000113.6R7 F8 V12 K17 H22 V24L5-R7 PolarHBondContact O-N 2.73Å; L5-F8 PolarHBondContact O-N 2.84Å; L5-F8 VanDerWaalsContact O-N 3.17Å; L5-V12 HydrophobicContact CD2-CB 4.03Å; L5-V12 HydrophobicContact CD2-CG2 4.19Å; L5-K17 HydrophobicContact CD1-CD 4.5Å; L5-K17 HydrophobicContact CD2-CD 4.19Å; L5-K17 HydrophobicContact CD2-CG 4.33Å; L5-H22 WeakPolarHBondContact CD1-O 3.31Å; L5-V24 HydrophobicContact CD2-CG2 3.52Å; L5-V24 HydrophobicContact CG-CG2 4.37Å
6D89.4Confident89.6Confident125 Ų12573.9 Ų73.967%0.66841%0.405SS*.G310 helixtrans-61.8-25.9-179.670.9-43000113.1E4E4-D6 WeakPolarHBondContact CB-OD1 3.1Å
7R91.9Very high89.9Confident53 Ų5373.8 Ų73.820%0.240%0.4CS..G310 helixtrans-75.5-21.4178.4-67.6-171.958.6-140.3-17.8113.6E4 L5 I80 K81E4-R7 HydrophobicContact CB-CG 4.25Å; L5-R7 PolarHBondContact O-N 2.73Å; R7-I80 HydrophobicContact CB-CD1 4.15Å; R7-I80 HydrophobicContact CB-CG1 3.94Å; R7-I80 WeakPolarHBondContact O-CG1 3.45Å; R7-K81 PolarHBondContact NH2-O 3.34Å; R7-K81 VanDerWaalsContact O-CB 3.26Å; R7-K81 WeakPolarHBondContact O-CB 3.47Å; R7-K81 WeakPolarHBondContact O-CD 3.47Å; R7-K81 WeakPolarHBondContact O-CG 3.38Å; R7-K81 PolarHBondContact O-N 2.9Å
8F93.3Very high90.1Very high6 Ų669.8 Ų69.83%0.02638%0.378CS..BIsolated β-bridgetrans-76.4160.3177.7-69.7-86.9000111.5F3 E4 L5 V12 V24 L78 I80 K81 L95F3-F8 HydrophobicContact CB-CE2 3.66Å; F3-F8 HydrophobicContact CB-CZ 3.76Å; F3-F8 HydrophobicContact CG-CZ 4.32Å; E4-F8 VanDerWaalsContact O-CD2 3.27Å; E4-F8 WeakPolarHBondContact O-CD2 3.44Å; E4-F8 WeakPolarHBondContact O-CE2 3.5Å; L5-F8 PolarHBondContact O-N 2.84Å; L5-F8 VanDerWaalsContact O-N 3.17Å; F8-V12 HydrophobicContact CB-CG2 3.5Å; F8-V12 HydrophobicContact CD1-CG2 4.32Å; F8-V12 HydrophobicContact CD2-CG2 4.02Å; F8-V12 HydrophobicContact CG-CG2 3.68Å; F8-V24 HydrophobicContact CD2-CG2 3.73Å; F8-V24 HydrophobicContact CE2-CB 3.78Å; F8-V24 HydrophobicContact CE2-CG1 4.31Å; F8-V24 HydrophobicContact CE2-CG2 3.35Å; F8-V24 HydrophobicContact CZ-CB 3.99Å; F8-V24 HydrophobicContact CZ-CG1 4.06Å; F8-V24 HydrophobicContact CZ-CG2 3.95Å; F8-L78 HydrophobicContact CD1-CB 3.76Å; F8-L78 HydrophobicContact CD1-CD1 4.08Å; F8-L78 HydrophobicContact CE1-CB 3.73Å; F8-L78 HydrophobicContact CE1-CD1 3.83Å; F8-L78 HydrophobicContact CE1-CG 4.46Å; F8-I80 HydrophobicContact CD1-CB 3.97Å; F8-I80 HydrophobicContact CD1-CD1 4.36Å; F8-I80 HydrophobicContact CD1-CG1 4.1Å; F8-I80 HydrophobicContact CD2-CD1 4.49Å; F8-I80 HydrophobicContact CE1-CB 4.02Å; F8-I80 HydrophobicContact CE1-CD1 3.91Å; F8-I80 HydrophobicContact CE1-CG1 4.1Å; F8-I80 HydrophobicContact CE2-CD1 4.04Å; F8-I80 HydrophobicContact CG-CG1 4.36Å; F8-I80 HydrophobicContact CZ-CD1 3.73Å; F8-I80 HydrophobicContact CZ-CG1 4.36Å; F8-K81 PolarHBondContact O-NZ 2.64Å; F8-L95 HydrophobicContact CE1-CD2 4.49Å
9D88.2Confident90Very high94 Ų9469.6 Ų69.650%0.50339%0.387SS..SBendtrans-107.4105.4178.2-147.241.2000111.3D79 K81 V92D9-D79 PolarHBondContact N-O 3.19Å; D9-K81 WeakPolarHBondContact OD1-CE 3.5Å; D9-K81 IonicContact OD1-NZ 3.02Å; D9-K81 PolarHBondContact OD1-NZ 2.94Å; D9-V92 HydrophobicContact CB-CG1 3.92Å; D9-V92 HydrophobicContact CB-CG2 4.41Å
10G85.4Confident90Very high59 Ų5969 Ų6961%0.60838%0.383SS*.SBendtrans95.6177.6-169.500000113.5V12G10-V12 PolarHBondContact O-N 2.97Å
11D87.1Confident90.2Very high173 Ų17367 Ų6793%0.92537%0.373SS*.PPolyproline II helixtrans-72.1120179.9-67.4-58.6000111.3
12V90.8Very high90.6Very high15 Ų1567 Ų679%0.09137%0.371CS..PPolyproline II helixtrans-78131.4172-173.20000109.7L5 F8 G10 L16 K17 V24 L78L5-V12 HydrophobicContact CD2-CB 4.03Å; L5-V12 HydrophobicContact CD2-CG2 4.19Å; F8-V12 HydrophobicContact CB-CG2 3.5Å; F8-V12 HydrophobicContact CD1-CG2 4.32Å; F8-V12 HydrophobicContact CD2-CG2 4.02Å; F8-V12 HydrophobicContact CG-CG2 3.68Å; G10-V12 PolarHBondContact O-N 2.97Å; V12-L16 HydrophobicContact CG1-CB 4.2Å; V12-K17 WeakPolarHBondContact O-CE 3.38Å; V12-K17 PolarHBondContact O-NZ 3.19Å; V12-V24 HydrophobicContact CB-CG2 4.31Å; V12-V24 HydrophobicContact CG1-CG1 4.33Å; V12-V24 HydrophobicContact CG1-CG2 3.83Å; V12-V24 HydrophobicContact CG2-CG2 4.14Å; V12-L78 HydrophobicContact CG1-CD1 4.02Å
13D91Very high90.9Very high85 Ų8569.8 Ų69.846%0.45538%0.383SS..PPolyproline II helixtrans-50.2133.4174.4-168-47.2000111.9D15 L16 K17D13-D15 VanDerWaalsContact C-N 3.26Å; D13-D15 PolarHBondContact O-N 3.4Å; D13-D15 WeakPolarHBondContact OD1-CB 3.36Å; D13-D15 PolarHBondContact OD1-N 3.32Å; D13-L16 HydrophobicContact CB-CD1 4.19Å; D13-L16 HydrophobicContact CB-CG 4.1Å; D13-L16 PolarHBondContact O-N 2.84Å; D13-K17 WeakPolarHBondContact O-CE 3.48Å
14P89.3Confident91.1Very high89 Ų8967.3 Ų67.358%0.57837%0.372SS*.G310 helixtrans-57.5-33.4176.725.3-35.6000114.1L16 K17P14-L16 PolarHBondContact O-N 3.49Å; P14-L16 VanDerWaalsContact O-N 3.16Å; P14-K17 WeakPolarHBondContact O-CB 3.36Å; P14-K17 PolarHBondContact O-N 3.49Å
15D90.3Very high91.3Very high131 Ų13163.5 Ų63.570%0.70135%0.354SS*.G310 helixtrans-70.9-11.1-177.5-69.8-0.9000112.5D13D13-D15 VanDerWaalsContact C-N 3.26Å; D13-D15 PolarHBondContact O-N 3.4Å; D13-D15 WeakPolarHBondContact OD1-CB 3.36Å; D13-D15 PolarHBondContact OD1-N 3.32Å
16L93.2Very high91.5Very high16 Ų1662.8 Ų62.88%0.08435%0.349CS..G310 helixtrans-95.56.3174.5-56.6-175.7000113.3V12 D13 P14 V24 L25 L71 I75 L78V12-L16 HydrophobicContact CG1-CB 4.2Å; D13-L16 HydrophobicContact CB-CD1 4.19Å; D13-L16 HydrophobicContact CB-CG 4.1Å; D13-L16 PolarHBondContact O-N 2.84Å; P14-L16 PolarHBondContact O-N 3.49Å; P14-L16 VanDerWaalsContact O-N 3.16Å; L16-V24 WeakPolarHBondContact O-CA 3.25Å; L16-L25 WeakPolarHBondContact O-CG 3.12Å; L16-L25 PolarHBondContact O-N 2.82Å; L16-L71 HydrophobicContact CD2-CD2 4.03Å; L16-I75 HydrophobicContact CB-CG1 4.39Å; L16-I75 HydrophobicContact CD1-CG1 4.43Å; L16-I75 HydrophobicContact CD2-CG1 4.04Å; L16-L78 HydrophobicContact CD1-CD1 4.05Å; L16-L78 HydrophobicContact CD1-CD2 4.23Å; L16-L78 HydrophobicContact CD1-CG 4.47Å
17K93.8Very high91.7Very high72 Ų7260 Ų6031%0.31333%0.334SS..BIsolated β-bridgetrans-103.5139.8-177.5-61.1171.6-164.6160.80111.4L5 V12 D13 P14 K23L5-K17 HydrophobicContact CD1-CD 4.5Å; L5-K17 HydrophobicContact CD2-CD 4.19Å; L5-K17 HydrophobicContact CD2-CG 4.33Å; V12-K17 WeakPolarHBondContact O-CE 3.38Å; V12-K17 PolarHBondContact O-NZ 3.19Å; D13-K17 WeakPolarHBondContact O-CE 3.48Å; P14-K17 WeakPolarHBondContact O-CB 3.36Å; P14-K17 PolarHBondContact O-N 3.49Å; K17-K23 WeakPolarHBondContact CA-O 3.43Å
18C93.9Very high91.9Very high1 Ų157.6 Ų57.61%0.00733%0.325CS..  trans-72.7127177.2-177.20000110.7L20 C21 H22 K23 L25 C38C18-L20 PolarHBondContact O-N 3.49Å; C18-C21 VanDerWaalsContact CB-SG 3.5Å; C18-H22 WeakPolarHBondContact O-CA 3.49Å; C18-H22 PolarHBondContact O-N 3.36Å; C18-K23 PolarHBondContact N-O 3.45Å; C18-L25 HydrophobicContact CB-CD2 3.83Å; C18-L25 HydrophobicContact CB-CG 4.45Å; C18-C38 VanDerWaalsContact CB-SG 3.55Å; C18-C38 PolarHBondContact SG-N 3.34Å; C18-C38 VanDerWaalsContact SG-N 3.42Å
19A88.6Confident91.9Very high67 Ų6757.6 Ų57.655%0.55433%0.325SS*.THydrogen-bonded Turntrans-64.7-17.9178.100000114.1H22 F37A19-H22 PolarHBondContact O-CE1 3.43Å; A19-F37 HydrophobicContact CB-CD1 4.26Å; A19-F37 HydrophobicContact CB-CE1 3.85Å
20L90.6Very high92.2Very high57 Ų5754.9 Ų54.930%0.29831%0.312SS..THydrogen-bonded Turntrans-90.6-47.7178.4-85.7173.4000114.3C18 F37 C41 W45 P53C18-L20 PolarHBondContact O-N 3.49Å; L20-F37 HydrophobicContact CB-CD1 4.19Å; L20-F37 HydrophobicContact CD1-CD1 3.8Å; L20-F37 HydrophobicContact CD1-CE1 4.18Å; L20-F37 HydrophobicContact CD1-CG 4.37Å; L20-F37 HydrophobicContact CG-CD1 3.75Å; L20-F37 HydrophobicContact CG-CE1 3.89Å; L20-C41 HydrophobicContact CB-CB 4.03Å; L20-C41 HydrophobicContact CD1-CB 3.79Å; L20-W45 HydrophobicContact CD2-CE3 4.48Å; L20-P53 HydrophobicContact CD1-CB 3.75Å; L20-P53 HydrophobicContact CD1-CG 3.73Å; L20-P53 HydrophobicContact CD2-CB 3.89Å; L20-P53 HydrophobicContact CG-CB 3.94Å; L20-P53 HydrophobicContact CG-CG 4.43Å
21C93.4Very high92.6Very high26 Ų2652 Ų5218%0.17628%0.283CS..THydrogen-bonded Turntrans-105.5-2.6-175.868.80000114C18 K23C18-C21 VanDerWaalsContact CB-SG 3.5Å; C21-K23 WeakPolarHBondContact O-CG 3.45Å; C21-K23 PolarHBondContact O-N 3.47Å
22H91.8Very high92.7Very high131 Ų13147.7 Ų47.761%0.60627%0.265SS*.  trans57.91.2-178.9-53-44000116.5L5 C18 A19L5-H22 WeakPolarHBondContact CD1-O 3.31Å; C18-H22 WeakPolarHBondContact O-CA 3.49Å; C18-H22 PolarHBondContact O-N 3.36Å; A19-H22 PolarHBondContact O-CE1 3.43Å
23K94.6Very high92.6Very high62 Ų6249.7 Ų49.727%0.2728%0.278SS..SBendtrans-85.2168.6174-65.6172.9-165.7-1610111.1G2 F3 E4 K17 C18 C21G2-K23 VanDerWaalsContact O-CB 3.3Å; G2-K23 WeakPolarHBondContact O-CB 3.42Å; G2-K23 WeakPolarHBondContact O-CD 3.36Å; F3-K23 WeakPolarHBondContact O-CB 3.32Å; E4-K23 IonicContact OE1-NZ 3.2Å; E4-K23 PolarHBondContact OE1-NZ 3.18Å; E4-K23 WeakPolarHBondContact OE2-CD 3.34Å; E4-K23 WeakPolarHBondContact OE2-CE 3.35Å; E4-K23 IonicContact OE2-NZ 3.33Å; E4-K23 PolarHBondContact OE2-NZ 3.08Å; K17-K23 WeakPolarHBondContact CA-O 3.43Å; C18-K23 PolarHBondContact N-O 3.45Å; C21-K23 WeakPolarHBondContact O-CG 3.45Å; C21-K23 PolarHBondContact O-N 3.47Å
24V95.1Very high92.5Very high0 Ų047.9 Ų47.90%028%0.28CS..BIsolated β-bridgetrans-65.9138.3178.7-171.90000109.9G2 F3 L5 F8 V12 L16 E26 I75 L78G2-V24 CarbonylContact C-O 3.56Å; G2-V24 WeakPolarHBondContact CA-O 3.44Å; F3-V24 HydrophobicContact CB-CB 4.28Å; F3-V24 PolarHBondContact N-O 3.25Å; F3-V24 PolarHBondContact O-N 3.47Å; L5-V24 HydrophobicContact CD2-CG2 3.52Å; L5-V24 HydrophobicContact CG-CG2 4.37Å; F8-V24 HydrophobicContact CD2-CG2 3.73Å; F8-V24 HydrophobicContact CE2-CB 3.78Å; F8-V24 HydrophobicContact CE2-CG1 4.31Å; F8-V24 HydrophobicContact CE2-CG2 3.35Å; F8-V24 HydrophobicContact CZ-CB 3.99Å; F8-V24 HydrophobicContact CZ-CG1 4.06Å; F8-V24 HydrophobicContact CZ-CG2 3.95Å; V12-V24 HydrophobicContact CB-CG2 4.31Å; V12-V24 HydrophobicContact CG1-CG1 4.33Å; V12-V24 HydrophobicContact CG1-CG2 3.83Å; V12-V24 HydrophobicContact CG2-CG2 4.14Å; L16-V24 WeakPolarHBondContact O-CA 3.25Å; V24-E26 PolarHBondContact O-N 3.16Å; V24-I75 HydrophobicContact CG1-CG2 3.89Å; V24-L78 HydrophobicContact CG1-CD1 4.06Å
25L95Very high92.6Very high2 Ų247.4 Ų47.41%0.0127%0.27CS..PPolyproline II helixtrans-55.2123.8-175.8-76.7164.2000111.9L16 C18 P28 V36 L71 I75L16-L25 WeakPolarHBondContact O-CG 3.12Å; L16-L25 PolarHBondContact O-N 2.82Å; C18-L25 HydrophobicContact CB-CD2 3.83Å; C18-L25 HydrophobicContact CB-CG 4.45Å; L25-P28 HydrophobicContact CB-CB 4.23Å; L25-P28 HydrophobicContact CD1-CB 4.26Å; L25-P28 HydrophobicContact CD2-CB 4.34Å; L25-V36 HydrophobicContact CD1-CG1 3.88Å; L25-V36 HydrophobicContact CD2-CG1 4.14Å; L25-L71 HydrophobicContact CD1-CD1 4.42Å; L25-I75 HydrophobicContact CB-CD1 3.58Å; L25-I75 HydrophobicContact CD1-CD1 4.5Å
26E94.3Very high92.8Very high55 Ų5543 Ų4326%0.25725%0.247SC..SBendtrans-111.5118.5173.4174.9-168.4-118.500106.9M1 F3 V24 C38 A39M1-E26 WeakPolarHBondContact CA-OE2 3.45Å; M1-E26 PolarHBondContact N-OE2 3.26Å; F3-E26 HydrophobicContact CD2-CB 4.08Å; F3-E26 HydrophobicContact CE2-CB 3.8Å; F3-E26 HydrophobicContact CE2-CG 4.08Å; F3-E26 HydrophobicContact CZ-CB 4.22Å; F3-E26 HydrophobicContact CZ-CG 3.99Å; V24-E26 PolarHBondContact O-N 3.16Å; E26-C38 HydrophobicContact CB-CB 4.42Å; E26-C38 PolarHBondContact N-SG 2.87Å; E26-C38 WeakPolarHBondContact O-CA 3.27Å; E26-C38 WeakPolarHBondContact O-CB 3.35Å; E26-A39 PolarHBondContact O-N 3.22Å
27D93.8Very high92.9Very high66 Ų6642.3 Ų42.335%0.35324%0.244SC..SBendtrans42.973.2-169-73.3-36.2000113.7L29 A39 K72D27-L29 PolarHBondContact O-N 3.05Å; D27-A39 HydrophobicContact CB-CB 4.08Å; D27-A39 WeakPolarHBondContact O-CB 3.42Å; D27-A39 PolarHBondContact O-N 2.95Å; D27-K72 WeakPolarHBondContact OD1-CD 3.21Å; D27-K72 WeakPolarHBondContact OD1-CE 3.27Å; D27-K72 IonicContact OD1-NZ 2.82Å; D27-K72 PolarHBondContact OD1-NZ 3.42Å
28P95.8Very high93Very high2 Ų238.9 Ų38.91%0.01323%0.229CC..EExtended strand (participates in β ladder)trans-60.5124.8-176.823.4-33.7000112.1L25 V36 F37 V68 L71 K72 I75L25-P28 HydrophobicContact CB-CB 4.23Å; L25-P28 HydrophobicContact CD1-CB 4.26Å; L25-P28 HydrophobicContact CD2-CB 4.34Å; P28-V36 HydrophobicContact CB-CG1 3.72Å; P28-F37 WeakPolarHBondContact CA-O 3.27Å; P28-V68 HydrophobicContact CB-CB 4.15Å; P28-V68 HydrophobicContact CB-CG2 4.22Å; P28-V68 HydrophobicContact CG-CB 4.22Å; P28-V68 PolarHBondContact O-N 3.48Å; P28-L71 HydrophobicContact CB-CB 4.49Å; P28-L71 HydrophobicContact CG-CB 4.03Å; P28-K72 HydrophobicContact CG-CB 4.16Å; P28-I75 HydrophobicContact CG-CD1 4.11Å
29L94.8Very high93Very high6 Ų639.7 Ų39.73%0.03124%0.236CC..EExtended strand (participates in β ladder)trans-108132.3167.6-70.1-179.4000109.6D27 V36 F37 A39 V42 L43 L65 N66 H67D27-L29 PolarHBondContact O-N 3.05Å; L29-V36 WeakPolarHBondContact O-CA 3.35Å; L29-F37 PolarHBondContact N-O 2.81Å; L29-F37 PolarHBondContact O-N 2.92Å; L29-A39 HydrophobicContact CD1-CB 3.83Å; L29-A39 HydrophobicContact CG-CB 4.05Å; L29-V42 HydrophobicContact CB-CG1 3.95Å; L29-V42 HydrophobicContact CD1-CG1 3.93Å; L29-L43 HydrophobicContact CD1-CD1 4.14Å; L29-L43 HydrophobicContact CD1-CD2 4.29Å; L29-L43 HydrophobicContact CD1-CG 3.96Å; L29-L65 HydrophobicContact CB-CB 4.4Å; L29-L65 HydrophobicContact CD1-CB 4Å; L29-L65 HydrophobicContact CD1-CD1 4.07Å; L29-L65 HydrophobicContact CD2-CB 4.43Å; L29-N66 CarbonylContact C-O 3.49Å; L29-N66 WeakPolarHBondContact CA-O 3.34Å; L29-H67 HydrophobicContact CD2-CB 4.44Å; L29-H67 WeakPolarHBondContact CD2-ND1 3.3Å
30T94.1Very high93.3Very high37 Ų3738.2 Ų38.223%0.22723%0.227CC..EExtended strand (participates in β ladder)trans-93.7130168.2-82.30000109.4H35 N66 V68T30-H35 WeakPolarHBondContact CA-O 3.36Å; T30-N66 PolarHBondContact N-O 2.9Å; T30-N66 PolarHBondContact O-N 3.17Å; T30-V68 WeakPolarHBondContact OG1-CG2 3.46Å
31T92.8Very high93.5Very high0 Ų036 Ų360%022%0.216CC..  trans-75.2154.8164.657.80000110.7C33 G34 H35 F37 V42 L60 L65T31-C33 PolarHBondContact O-N 3.12Å; T31-C33 PolarHBondContact OG1-SG 3.42Å; T31-G34 PolarHBondContact O-N 3.37Å; T31-H35 PolarHBondContact N-O 2.79Å; T31-H35 PolarHBondContact OG1-N 3.47Å; T31-H35 PolarHBondContact OG1-O 2.71Å; T31-F37 HydrophobicContact CG2-CD2 4.15Å; T31-F37 HydrophobicContact CG2-CE2 3.94Å; T31-V42 HydrophobicContact CG2-CG2 4.16Å; T31-L60 HydrophobicContact CG2-CD1 3.8Å; T31-L65 HydrophobicContact CG2-CD2 3.71Å
32P89.2Confident93.4Very high82 Ų8234.8 Ų34.853%0.53221%0.208SC..THydrogen-bonded Turntrans-51.7-27.1176.3-30.836.2000115.4G34 L60 E64P32-G34 VanDerWaalsContact C-N 3.26Å; P32-G34 PolarHBondContact O-N 2.86Å; P32-L60 HydrophobicContact CB-CD2 4.35Å; P32-L60 HydrophobicContact CG-CD2 3.83Å; P32-E64 HydrophobicContact CG-CB 3.74Å
33C90.3Very high93.5Very high56 Ų5631.9 Ų31.938%0.37820%0.197SC..THydrogen-bonded Turntrans-82.410.5174.770.50000115T31 H35 C52 C56T31-C33 PolarHBondContact O-N 3.12Å; T31-C33 PolarHBondContact OG1-SG 3.42Å; C33-H35 PolarHBondContact O-N 2.81Å; C33-H35 PolarHBondContact SG-ND1 3.45Å; C33-C52 PolarHBondContact SG-SG 2.77Å; C33-C56 HydrophobicContact CB-CB 4.1Å
34G88.7Confident93.4Very high48 Ų4832.4 Ų32.450%0.49521%0.207SC..SBendtrans90.5-19.6174.400000115.9T31 P32T31-G34 PolarHBondContact O-N 3.37Å; P32-G34 VanDerWaalsContact C-N 3.26Å; P32-G34 PolarHBondContact O-N 2.86Å
35H91.4Very high93.3Very high78 Ų7836.3 Ų36.336%0.36122%0.221SC..  trans-67.7136.8-177.5-65.694.1000112.6T30 T31 C33 F37 A54 C56T30-H35 WeakPolarHBondContact CA-O 3.36Å; T31-H35 PolarHBondContact N-O 2.79Å; T31-H35 PolarHBondContact OG1-N 3.47Å; T31-H35 PolarHBondContact OG1-O 2.71Å; C33-H35 PolarHBondContact O-N 2.81Å; C33-H35 PolarHBondContact SG-ND1 3.45Å; H35-F37 HydrophobicContact CB-CE2 3.64Å; H35-F37 HydrophobicContact CB-CZ 3.89Å; H35-A54 HydrophobicContact CB-CB 4.25Å; H35-C56 PolarHBondContact CE1-SG 3.3Å
36V93.7Very high93.1Very high38 Ų3836.6 Ų36.623%0.2322%0.223CC..EExtended strand (participates in β ladder)trans-109.6135-175-164.70000111.5L25 P28 L29 V68 L71L25-V36 HydrophobicContact CD1-CG1 3.88Å; L25-V36 HydrophobicContact CD2-CG1 4.14Å; P28-V36 HydrophobicContact CB-CG1 3.72Å; L29-V36 WeakPolarHBondContact O-CA 3.35Å; V36-V68 HydrophobicContact CG1-CG2 4.09Å; V36-L71 HydrophobicContact CG1-CD1 3.94Å; V36-L71 HydrophobicContact CG2-CD1 4.17Å
37F94.9Very high93Very high3 Ų339.6 Ų39.61%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-142163.7178.6-53.6-84.1000110.7A19 L20 P28 L29 T31 H35 V42 P53 A54A19-F37 HydrophobicContact CB-CD1 4.26Å; A19-F37 HydrophobicContact CB-CE1 3.85Å; L20-F37 HydrophobicContact CB-CD1 4.19Å; L20-F37 HydrophobicContact CD1-CD1 3.8Å; L20-F37 HydrophobicContact CD1-CE1 4.18Å; L20-F37 HydrophobicContact CD1-CG 4.37Å; L20-F37 HydrophobicContact CG-CD1 3.75Å; L20-F37 HydrophobicContact CG-CE1 3.89Å; P28-F37 WeakPolarHBondContact CA-O 3.27Å; L29-F37 PolarHBondContact N-O 2.81Å; L29-F37 PolarHBondContact O-N 2.92Å; T31-F37 HydrophobicContact CG2-CD2 4.15Å; T31-F37 HydrophobicContact CG2-CE2 3.94Å; H35-F37 HydrophobicContact CB-CE2 3.64Å; H35-F37 HydrophobicContact CB-CZ 3.89Å; F37-V42 HydrophobicContact CB-CB 3.75Å; F37-V42 HydrophobicContact CB-CG1 3.98Å; F37-V42 HydrophobicContact CD2-CB 4.07Å; F37-V42 HydrophobicContact CD2-CG2 3.94Å; F37-V42 HydrophobicContact CG-CB 4.11Å; F37-V42 HydrophobicContact CG-CG2 4.46Å; F37-P53 HydrophobicContact CD2-CG 4.38Å; F37-P53 HydrophobicContact CE1-CB 3.96Å; F37-P53 HydrophobicContact CE1-CG 4.1Å; F37-P53 HydrophobicContact CE2-CB 4.5Å; F37-P53 HydrophobicContact CE2-CG 3.96Å; F37-P53 HydrophobicContact CZ-CB 3.85Å; F37-P53 HydrophobicContact CZ-CG 3.8Å; F37-A54 HydrophobicContact CZ-CB 4.28Å
38C96Very high92.8Very high0 Ų043.8 Ų43.80%026%0.262CS..EExtended strand (participates in β ladder)trans-65.1145.2166.5-50.80000109.8G2 C18 E26 G40 C41 V42G2-C38 VanDerWaalsContact CA-SG 3.58Å; C18-C38 VanDerWaalsContact CB-SG 3.55Å; C18-C38 PolarHBondContact SG-N 3.34Å; C18-C38 VanDerWaalsContact SG-N 3.42Å; E26-C38 HydrophobicContact CB-CB 4.42Å; E26-C38 PolarHBondContact N-SG 2.87Å; E26-C38 WeakPolarHBondContact O-CA 3.27Å; E26-C38 WeakPolarHBondContact O-CB 3.35Å; C38-G40 VanDerWaalsContact C-N 3.33Å; C38-G40 PolarHBondContact O-N 2.87Å; C38-C41 HydrophobicContact CB-CB 4.2Å; C38-C41 WeakPolarHBondContact O-CA 3.32Å; C38-C41 WeakPolarHBondContact O-CB 3.46Å; C38-C41 PolarHBondContact O-N 2.77Å; C38-V42 PolarHBondContact O-N 2.9Å; C38-V42 VanDerWaalsContact O-N 3.14Å
39A94.5Very high92.4Very high17 Ų1748.9 Ų48.914%0.1429%0.286CS..Hα-helixtrans-50.9-51.7176.800000112.3E26 D27 L29 C41 V42 L43E26-A39 PolarHBondContact O-N 3.22Å; D27-A39 HydrophobicContact CB-CB 4.08Å; D27-A39 WeakPolarHBondContact O-CB 3.42Å; D27-A39 PolarHBondContact O-N 2.95Å; L29-A39 HydrophobicContact CD1-CB 3.83Å; L29-A39 HydrophobicContact CG-CB 4.05Å; A39-C41 PolarHBondContact O-N 3.35Å; A39-C41 VanDerWaalsContact O-N 3.12Å; A39-V42 PolarHBondContact O-N 3.34Å; A39-L43 HydrophobicContact CB-CD1 4.11Å; A39-L43 WeakPolarHBondContact O-CB 3.16Å; A39-L43 WeakPolarHBondContact O-CG 3.47Å; A39-L43 PolarHBondContact O-N 2.94Å
40G93.9Very high92.2Very high37 Ų3749.6 Ų49.638%0.38130%0.295SS..Hα-helixtrans-68-4.9176.700000116M1 C38M1-G40 VanDerWaalsContact SD-O 3.36Å; C38-G40 VanDerWaalsContact C-N 3.33Å; C38-G40 PolarHBondContact O-N 2.87Å
41C94.5Very high92Very high10 Ų1049.5 Ų49.57%0.06830%0.296CS..Hα-helixtrans-93.2-43.7170.1-630000112.1M1 L20 C38 A39M1-C41 HydrophobicContact SD-CB 4.38Å; M1-C41 PolarHBondContact SD-SG 3.28Å; L20-C41 HydrophobicContact CB-CB 4.03Å; L20-C41 HydrophobicContact CD1-CB 3.79Å; C38-C41 HydrophobicContact CB-CB 4.2Å; C38-C41 WeakPolarHBondContact O-CA 3.32Å; C38-C41 WeakPolarHBondContact O-CB 3.46Å; C38-C41 PolarHBondContact O-N 2.77Å; A39-C41 PolarHBondContact O-N 3.35Å; A39-C41 VanDerWaalsContact O-N 3.12Å
42V93.2Very high91.9Very high0 Ų049.6 Ų49.60%030%0.296CS..Hα-helixtrans-91.8-29.1-171.464.60000113.6L29 T31 F37 C38 A39 W45 V46 P53 L65L29-V42 HydrophobicContact CB-CG1 3.95Å; L29-V42 HydrophobicContact CD1-CG1 3.93Å; T31-V42 HydrophobicContact CG2-CG2 4.16Å; F37-V42 HydrophobicContact CB-CB 3.75Å; F37-V42 HydrophobicContact CB-CG1 3.98Å; F37-V42 HydrophobicContact CD2-CB 4.07Å; F37-V42 HydrophobicContact CD2-CG2 3.94Å; F37-V42 HydrophobicContact CG-CB 4.11Å; F37-V42 HydrophobicContact CG-CG2 4.46Å; C38-V42 PolarHBondContact O-N 2.9Å; C38-V42 VanDerWaalsContact O-N 3.14Å; A39-V42 PolarHBondContact O-N 3.34Å; V42-W45 PolarHBondContact O-N 3.47Å; V42-V46 HydrophobicContact CG2-CG2 3.7Å; V42-V46 WeakPolarHBondContact O-CB 3.45Å; V42-V46 WeakPolarHBondContact O-CG2 3.2Å; V42-V46 PolarHBondContact O-N 2.95Å; V42-P53 HydrophobicContact CG2-CG 4.07Å; V42-L65 HydrophobicContact CG1-CD1 4.11Å; V42-L65 HydrophobicContact CG2-CD1 4.27Å; V42-L65 HydrophobicContact CG2-CD2 4.19Å
43L93.1Very high91.9Very high70 Ų7046.2 Ų46.237%0.36628%0.275SS..Hα-helixtrans-61.2-49.3178.1-73.5164.7000112.3L29 A39 W45 V46 V47 A62 L65L29-L43 HydrophobicContact CD1-CD1 4.14Å; L29-L43 HydrophobicContact CD1-CD2 4.29Å; L29-L43 HydrophobicContact CD1-CG 3.96Å; A39-L43 HydrophobicContact CB-CD1 4.11Å; A39-L43 WeakPolarHBondContact O-CB 3.16Å; A39-L43 WeakPolarHBondContact O-CG 3.47Å; A39-L43 PolarHBondContact O-N 2.94Å; L43-W45 VanDerWaalsContact C-N 3.34Å; L43-W45 PolarHBondContact O-N 2.88Å; L43-V46 PolarHBondContact O-N 2.84Å; L43-V47 WeakPolarHBondContact O-CG2 3.37Å; L43-V47 PolarHBondContact O-N 3.02Å; L43-A62 HydrophobicContact CD2-CB 4.2Å; L43-L65 HydrophobicContact CD2-CD1 3.74Å; L43-L65 HydrophobicContact CG-CD1 4.33Å
44P93.3Very high91.8Very high74 Ų7445.5 Ų45.548%0.48127%0.273SS..Hα-helixtrans-61.9-41.2175.9-22.234.3000112.5V47 Q48P44-V47 PolarHBondContact O-N 3.01Å; P44-Q48 WeakPolarHBondContact O-CB 3.33Å; P44-Q48 PolarHBondContact O-N 3.33Å
45W92Very high91.5Very high82 Ų8250.8 Ų50.831%0.31128%0.284SS..Hα-helixtrans-62.5-44.8178.8-174.2-73.5000112.3L20 V42 L43 Q48 E49 S51 P53L20-W45 HydrophobicContact CD2-CE3 4.48Å; V42-W45 PolarHBondContact O-N 3.47Å; L43-W45 VanDerWaalsContact C-N 3.34Å; L43-W45 PolarHBondContact O-N 2.88Å; W45-Q48 PolarHBondContact O-N 2.77Å; W45-E49 HydrophobicContact CD2-CG 4.38Å; W45-E49 HydrophobicContact CZ2-CG 4.27Å; W45-E49 WeakPolarHBondContact O-CB 3.49Å; W45-E49 PolarHBondContact O-N 3.34Å; W45-S51 VanDerWaalsContact CD1-O 3.31Å; W45-P53 HydrophobicContact CB-CG 4.23Å; W45-P53 HydrophobicContact CD2-CB 4.01Å; W45-P53 HydrophobicContact CD2-CG 4.15Å; W45-P53 HydrophobicContact CG-CB 4.13Å; W45-P53 HydrophobicContact CG-CG 3.72Å
46V91.9Very high91.2Very high7 Ų749 Ų494%0.04228%0.28CS..Hα-helixtrans-71.4-31.9-178.91710000111.5V42 L43 G50 L60 L65V42-V46 HydrophobicContact CG2-CG2 3.7Å; V42-V46 WeakPolarHBondContact O-CB 3.45Å; V42-V46 WeakPolarHBondContact O-CG2 3.2Å; V42-V46 PolarHBondContact O-N 2.95Å; L43-V46 PolarHBondContact O-N 2.84Å; V46-G50 VanDerWaalsContact O-CA 3.27Å; V46-G50 WeakPolarHBondContact O-CA 3.34Å; V46-G50 PolarHBondContact O-N 3.04Å; V46-G50 VanDerWaalsContact O-N 3.14Å; V46-L60 HydrophobicContact CG1-CB 4.19Å; V46-L60 HydrophobicContact CG2-CB 4.49Å; V46-L65 HydrophobicContact CB-CD1 4.48Å; V46-L65 HydrophobicContact CG2-CD1 4.33Å; V46-L65 HydrophobicContact CG2-CD2 4.45Å
47V91.1Very high90.1Very high119 Ų11959.8 Ų59.872%0.72132%0.316SS*.Hα-helixtrans-67.8-39.2171.9170.90000111.8L43 P44L43-V47 WeakPolarHBondContact O-CG2 3.37Å; L43-V47 PolarHBondContact O-N 3.02Å; P44-V47 PolarHBondContact O-N 3.01Å
48Q90.3Very high89Confident154 Ų15461.7 Ų61.772%0.7234%0.337SS*.Hα-helixtrans-83.4-49.4-176.7-176.6174.2-8.900113.8P44 W45P44-Q48 WeakPolarHBondContact O-CB 3.33Å; P44-Q48 PolarHBondContact O-N 3.33Å; W45-Q48 PolarHBondContact O-N 2.77Å
49E87.1Confident88.4Confident108 Ų10872.5 Ų72.551%0.50538%0.378SS..Hα-helixtrans-104.2-4.1-170.6-63-64.6146.100113.3W45 S51W45-E49 HydrophobicContact CD2-CG 4.38Å; W45-E49 HydrophobicContact CZ2-CG 4.27Å; W45-E49 WeakPolarHBondContact O-CB 3.49Å; W45-E49 PolarHBondContact O-N 3.34Å; E49-S51 VanDerWaalsContact O-CB 3.29Å; E49-S51 WeakPolarHBondContact O-CB 3.15Å; E49-S51 PolarHBondContact O-N 3.15Å; E49-S51 PolarHBondContact O-OG 2.88Å
50G89.4Confident88.1Confident21 Ų2172.8 Ų72.822%0.21638%0.377CS..SBendtrans54.726174.900000115.2V46 R59 L60V46-G50 VanDerWaalsContact O-CA 3.27Å; V46-G50 WeakPolarHBondContact O-CA 3.34Å; V46-G50 PolarHBondContact O-N 3.04Å; V46-G50 VanDerWaalsContact O-N 3.14Å; G50-R59 CarbonylContact O-C 3.56Å; G50-R59 VanDerWaalsContact O-CA 3.27Å; G50-R59 WeakPolarHBondContact O-CA 3.32Å; G50-L60 CarbonylContact C-O 3.58Å; G50-L60 PolarHBondContact O-N 2.94Å
51S91.4Very high87.9Confident35 Ų3573.5 Ų73.525%0.24538%0.376CS..BIsolated β-bridgetrans-154169.6-164.360.60000112.4W45 E49W45-S51 VanDerWaalsContact CD1-O 3.31Å; E49-S51 VanDerWaalsContact O-CB 3.29Å; E49-S51 WeakPolarHBondContact O-CB 3.15Å; E49-S51 PolarHBondContact O-N 3.15Å; E49-S51 PolarHBondContact O-OG 2.88Å
52C90.8Very high87.6Confident2 Ų274.9 Ų74.91%0.01439%0.388CS..  trans-76.2131.9178.3-173.30000111.7C33 A54 H55 C56 L60C33-C52 PolarHBondContact SG-SG 2.77Å; C52-A54 PolarHBondContact O-N 2.95Å; C52-A54 VanDerWaalsContact O-N 3.14Å; C52-A54 PolarHBondContact SG-N 3.27Å; C52-A54 VanDerWaalsContact SG-N 3.44Å; C52-H55 WeakPolarHBondContact O-CA 3.42Å; C52-H55 PolarHBondContact O-N 3.48Å; C52-C56 HydrophobicContact CB-CB 3.84Å; C52-L60 HydrophobicContact CB-CD1 3.77Å
53P89.3Confident87.4Confident12 Ų1284.3 Ų84.38%0.07843%0.429CS..THydrogen-bonded Turntrans-61.7-21.8174.4-12.420.1000114.2L20 F37 V42 W45 H55L20-P53 HydrophobicContact CD1-CB 3.75Å; L20-P53 HydrophobicContact CD1-CG 3.73Å; L20-P53 HydrophobicContact CD2-CB 3.89Å; L20-P53 HydrophobicContact CG-CB 3.94Å; L20-P53 HydrophobicContact CG-CG 4.43Å; F37-P53 HydrophobicContact CD2-CG 4.38Å; F37-P53 HydrophobicContact CE1-CB 3.96Å; F37-P53 HydrophobicContact CE1-CG 4.1Å; F37-P53 HydrophobicContact CE2-CB 4.5Å; F37-P53 HydrophobicContact CE2-CG 3.96Å; F37-P53 HydrophobicContact CZ-CB 3.85Å; F37-P53 HydrophobicContact CZ-CG 3.8Å; V42-P53 HydrophobicContact CG2-CG 4.07Å; W45-P53 HydrophobicContact CB-CG 4.23Å; W45-P53 HydrophobicContact CD2-CB 4.01Å; W45-P53 HydrophobicContact CD2-CG 4.15Å; W45-P53 HydrophobicContact CG-CB 4.13Å; W45-P53 HydrophobicContact CG-CG 3.72Å; P53-H55 PolarHBondContact O-CE1 2.83Å; P53-H55 PolarHBondContact O-N 3.36Å; P53-H55 PolarHBondContact O-ND1 3.12Å
54A86.6Confident87.3Confident41 Ų4184.9 Ų84.934%0.33943%0.43SS..THydrogen-bonded Turntrans-7915.7170.200000113.4H35 F37 C52 C56H35-A54 HydrophobicContact CB-CB 4.25Å; F37-A54 HydrophobicContact CZ-CB 4.28Å; C52-A54 PolarHBondContact O-N 2.95Å; C52-A54 VanDerWaalsContact O-N 3.14Å; C52-A54 PolarHBondContact SG-N 3.27Å; C52-A54 VanDerWaalsContact SG-N 3.44Å; A54-C56 PolarHBondContact O-N 2.88Å; A54-C56 VanDerWaalsContact O-N 3.09Å
55H83.9Confident87.2Confident158 Ų15882.2 Ų82.273%0.73141%0.412SS*.  trans55.328.4177.5-61.567.3000114.1C52 P53C52-H55 WeakPolarHBondContact O-CA 3.42Å; C52-H55 PolarHBondContact O-N 3.48Å; P53-H55 PolarHBondContact O-CE1 2.83Å; P53-H55 PolarHBondContact O-N 3.36Å; P53-H55 PolarHBondContact O-ND1 3.12Å
56C84.5Confident87.3Confident41 Ų4183.2 Ų83.228%0.27742%0.423SS..  trans-70.8141.9175.9-68.30000111C33 H35 C52 A54 G58C33-C56 HydrophobicContact CB-CB 4.1Å; H35-C56 PolarHBondContact CE1-SG 3.3Å; C52-C56 HydrophobicContact CB-CB 3.84Å; A54-C56 PolarHBondContact O-N 2.88Å; A54-C56 VanDerWaalsContact O-N 3.09Å; C56-G58 PolarHBondContact O-N 2.89Å
57R70.9Confident87.3Confident264 Ų26488.4 Ų88.4100%0.99645%0.447SS*.SBendtrans-7598.1-176.1-67.3-174.6178.6-165-1111.8
58G72.4Confident87.4Confident44 Ų4483.9 Ų83.945%0.45442%0.419SS..SBendtrans176.5152.5169.800000110.5C56C56-G58 PolarHBondContact O-N 2.89Å
59R82.1Confident87.5Confident227 Ų22781.3 Ų81.386%0.85741%0.41SS*.BIsolated β-bridgetrans-67.8147.5157.1-73.7-174.6-179.9-87.75.2108G50G50-R59 CarbonylContact O-C 3.56Å; G50-R59 VanDerWaalsContact O-CA 3.27Å; G50-R59 WeakPolarHBondContact O-CA 3.32Å
60L88.1Confident87.7Confident23 Ų2380.5 Ų80.512%0.1241%0.414CS..  trans-127.6143.4169.2-68.9-173.4000110.3T31 P32 V46 G50 C52 E64T31-L60 HydrophobicContact CG2-CD1 3.8Å; P32-L60 HydrophobicContact CB-CD2 4.35Å; P32-L60 HydrophobicContact CG-CD2 3.83Å; V46-L60 HydrophobicContact CG1-CB 4.19Å; V46-L60 HydrophobicContact CG2-CB 4.49Å; G50-L60 CarbonylContact C-O 3.58Å; G50-L60 PolarHBondContact O-N 2.94Å; C52-L60 HydrophobicContact CB-CD1 3.77Å; L60-E64 VanDerWaalsContact CA-OE2 3.28Å; L60-E64 WeakPolarHBondContact CA-OE2 3.37Å
61S89.6Confident87.9Confident51 Ų5181.2 Ų81.236%0.35741%0.413SS..  trans-105.8150.61691790000110.9K63 E64S61-K63 PolarHBondContact O-N 3.09Å; S61-K63 PolarHBondContact OG-N 2.94Å; S61-E64 PolarHBondContact N-OE2 2.84Å; S61-E64 WeakPolarHBondContact O-CB 3.5Å; S61-E64 PolarHBondContact O-N 3.34Å
62A89.1Confident87.9Confident39 Ų3983.2 Ų83.232%0.32242%0.417SS..G310 helixtrans-59.4-29.517500000112.3L43 E64 L65L43-A62 HydrophobicContact CD2-CB 4.2Å; A62-E64 PolarHBondContact O-N 3.03Å; A62-L65 PolarHBondContact O-N 2.91Å
63K89.1Confident88Confident199 Ų19991.4 Ų91.487%0.86545%0.448SS*.G310 helixtrans-67.7-16.4175.7-66-170.4176.4-172.90114S61S61-K63 PolarHBondContact O-N 3.09Å; S61-K63 PolarHBondContact OG-N 2.94Å
64E89.9Confident88.2Confident81 Ų8195 Ų9538%0.37947%0.466SS..G310 helixtrans-91-3.9-178.6-61.3162.4-177.100112.7P32 L60 S61 A62 N66P32-E64 HydrophobicContact CG-CB 3.74Å; L60-E64 VanDerWaalsContact CA-OE2 3.28Å; L60-E64 WeakPolarHBondContact CA-OE2 3.37Å; S61-E64 PolarHBondContact N-OE2 2.84Å; S61-E64 WeakPolarHBondContact O-CB 3.5Å; S61-E64 PolarHBondContact O-N 3.34Å; A62-E64 PolarHBondContact O-N 3.03Å; E64-N66 PolarHBondContact O-ND2 3.08Å
65L92.1Very high88.5Confident19 Ų1993.3 Ų93.310%0.09945%0.451CS..  trans-82.7125.3-178.9-59.1177.1000110.9L29 T31 V42 L43 V46 A62L29-L65 HydrophobicContact CB-CB 4.4Å; L29-L65 HydrophobicContact CD1-CB 4Å; L29-L65 HydrophobicContact CD1-CD1 4.07Å; L29-L65 HydrophobicContact CD2-CB 4.43Å; T31-L65 HydrophobicContact CG2-CD2 3.71Å; V42-L65 HydrophobicContact CG1-CD1 4.11Å; V42-L65 HydrophobicContact CG2-CD1 4.27Å; V42-L65 HydrophobicContact CG2-CD2 4.19Å; L43-L65 HydrophobicContact CD2-CD1 3.74Å; L43-L65 HydrophobicContact CG-CD1 4.33Å; V46-L65 HydrophobicContact CB-CD1 4.48Å; V46-L65 HydrophobicContact CG2-CD1 4.33Å; V46-L65 HydrophobicContact CG2-CD2 4.45Å; A62-L65 PolarHBondContact O-N 2.91Å
66N93.2Very high89Confident102 Ų10288.2 Ų88.255%0.54543%0.429SS..EExtended strand (participates in β ladder)trans-113130.2-169.3-83.5-98.4000112.4L29 T30 E64 V68L29-N66 CarbonylContact C-O 3.49Å; L29-N66 WeakPolarHBondContact CA-O 3.34Å; T30-N66 PolarHBondContact N-O 2.9Å; T30-N66 PolarHBondContact O-N 3.17Å; E64-N66 PolarHBondContact O-ND2 3.08Å; N66-V68 PolarHBondContact O-N 2.83Å
67H93.5Very high89.5Confident116 Ų11692.2 Ų92.254%0.53744%0.441SS..EExtended strand (participates in β ladder)trans-69.5123.5-179.9-83.1-64.2000113.6L29 L69L29-H67 HydrophobicContact CD2-CB 4.44Å; L29-H67 WeakPolarHBondContact CD2-ND1 3.3Å; H67-L69 VanDerWaalsContact C-N 3.35Å; H67-L69 HydrophobicContact CB-CD2 4.45Å; H67-L69 PolarHBondContact O-N 2.91Å
68V93.1Very high90.6Very high25 Ų2581.6 Ų81.615%0.15240%0.404CS..  trans-87.173-177.7-157.30000111.5P28 T30 V36 N66 P70 L71 K72P28-V68 HydrophobicContact CB-CB 4.15Å; P28-V68 HydrophobicContact CB-CG2 4.22Å; P28-V68 HydrophobicContact CG-CB 4.22Å; P28-V68 PolarHBondContact O-N 3.48Å; T30-V68 WeakPolarHBondContact OG1-CG2 3.46Å; V36-V68 HydrophobicContact CG1-CG2 4.09Å; N66-V68 PolarHBondContact O-N 2.83Å; V68-P70 VanDerWaalsContact C-N 3.29Å; V68-L71 HydrophobicContact CB-CB 4.16Å; V68-L71 HydrophobicContact CB-CD1 4.14Å; V68-L71 HydrophobicContact CB-CG 4.29Å; V68-L71 HydrophobicContact CG1-CB 3.92Å; V68-L71 HydrophobicContact CG1-CD1 3.69Å; V68-L71 HydrophobicContact CG1-CG 3.62Å; V68-L71 PolarHBondContact O-N 3.34Å; V68-K72 PolarHBondContact O-N 3.4Å
69L91.1Very high91.7Very high99 Ų9983 Ų8352%0.51840%0.401SS..Hα-helixtrans-50.7-37-180-57.7-178.6000114.5H67 R73H67-L69 VanDerWaalsContact C-N 3.35Å; H67-L69 HydrophobicContact CB-CD2 4.45Å; H67-L69 PolarHBondContact O-N 2.91Å; L69-R73 WeakPolarHBondContact O-CB 3.45Å; L69-R73 VanDerWaalsContact O-CG 3.24Å; L69-R73 WeakPolarHBondContact O-CG 3.48Å; L69-R73 PolarHBondContact O-N 3.08Å
70P92.6Very high92.3Very high91 Ų9172.2 Ų72.259%0.59136%0.361SS*.Hα-helixtrans-63.1-45.1174.1-24.335.8000113.5V68 R73 L74V68-P70 VanDerWaalsContact C-N 3.29Å; P70-R73 PolarHBondContact O-N 2.92Å; P70-L74 PolarHBondContact O-N 2.65Å; P70-L74 VanDerWaalsContact O-N 3.16Å
71L91.6Very high92.6Very high36 Ų3674.1 Ų74.119%0.18837%0.368CS..Hα-helixtrans-67.1-45177.4-67.8-179.4000110.8L16 L25 P28 V36 V68 R73 L74 I75L16-L71 HydrophobicContact CD2-CD2 4.03Å; L25-L71 HydrophobicContact CD1-CD1 4.42Å; P28-L71 HydrophobicContact CB-CB 4.49Å; P28-L71 HydrophobicContact CG-CB 4.03Å; V36-L71 HydrophobicContact CG1-CD1 3.94Å; V36-L71 HydrophobicContact CG2-CD1 4.17Å; V68-L71 HydrophobicContact CB-CB 4.16Å; V68-L71 HydrophobicContact CB-CD1 4.14Å; V68-L71 HydrophobicContact CB-CG 4.29Å; V68-L71 HydrophobicContact CG1-CB 3.92Å; V68-L71 HydrophobicContact CG1-CD1 3.69Å; V68-L71 HydrophobicContact CG1-CG 3.62Å; V68-L71 PolarHBondContact O-N 3.34Å; L71-R73 PolarHBondContact O-N 3.29Å; L71-L74 HydrophobicContact CD2-CD1 4.39Å; L71-L74 WeakPolarHBondContact O-CA 3.22Å; L71-L74 WeakPolarHBondContact O-CB 3.36Å; L71-L74 PolarHBondContact O-N 2.93Å; L71-I75 HydrophobicContact CB-CD1 4.26Å; L71-I75 WeakPolarHBondContact O-CD1 3.3Å; L71-I75 VanDerWaalsContact O-CG1 3.29Å; L71-I75 WeakPolarHBondContact O-CG1 3.25Å; L71-I75 PolarHBondContact O-N 3.32Å
72K92.8Very high92.8Very high78 Ų7871.8 Ų71.834%0.33935%0.352SS..Hα-helixtrans-53.2-41.7173.9-173.9166.2175.5167.70111.1D27 P28 V68 L74 L76D27-K72 WeakPolarHBondContact OD1-CD 3.21Å; D27-K72 WeakPolarHBondContact OD1-CE 3.27Å; D27-K72 IonicContact OD1-NZ 2.82Å; D27-K72 PolarHBondContact OD1-NZ 3.42Å; P28-K72 HydrophobicContact CG-CB 4.16Å; V68-K72 PolarHBondContact O-N 3.4Å; K72-L74 VanDerWaalsContact C-N 3.34Å; K72-L74 PolarHBondContact O-N 2.75Å; K72-L76 HydrophobicContact CG-CD1 3.97Å; K72-L76 HydrophobicContact CG-CG 4.49Å; K72-L76 VanDerWaalsContact O-CB 3.28Å; K72-L76 WeakPolarHBondContact O-CB 3.5Å; K72-L76 WeakPolarHBondContact O-CD1 3.19Å; K72-L76 WeakPolarHBondContact O-CG 3.39Å; K72-L76 PolarHBondContact O-N 2.92Å
73R92.5Very high92.9Very high174 Ų17472.4 Ų72.466%0.65736%0.357SS*.Hα-helixtrans-72.1-13.8175.1-73173.2-180179.33115.7L69 P70 L71 K77L69-R73 WeakPolarHBondContact O-CB 3.45Å; L69-R73 VanDerWaalsContact O-CG 3.24Å; L69-R73 WeakPolarHBondContact O-CG 3.48Å; L69-R73 PolarHBondContact O-N 3.08Å; P70-R73 PolarHBondContact O-N 2.92Å; L71-R73 PolarHBondContact O-N 3.29Å; R73-K77 VanDerWaalsContact O-CD 3.31Å; R73-K77 WeakPolarHBondContact O-CD 3.06Å; R73-K77 WeakPolarHBondContact O-CE 3.44Å; R73-K77 WeakPolarHBondContact O-CG 3.27Å
74L93.3Very high93.1Very high88 Ų8865.7 Ų65.746%0.46133%0.327SS..Hα-helixtrans-89.1-49.5170.5-70.7171.5000110.3P70 L71 K72 L76 K77P70-L74 PolarHBondContact O-N 2.65Å; P70-L74 VanDerWaalsContact O-N 3.16Å; L71-L74 HydrophobicContact CD2-CD1 4.39Å; L71-L74 WeakPolarHBondContact O-CA 3.22Å; L71-L74 WeakPolarHBondContact O-CB 3.36Å; L71-L74 PolarHBondContact O-N 2.93Å; K72-L74 VanDerWaalsContact C-N 3.34Å; K72-L74 PolarHBondContact O-N 2.75Å; L74-L76 VanDerWaalsContact C-N 3.3Å; L74-L76 PolarHBondContact O-N 3.07Å; L74-K77 WeakPolarHBondContact O-CB 3.47Å; L74-K77 PolarHBondContact O-N 2.84Å
75I93.6Very high93.1Very high4 Ų464 Ų642%0.02133%0.326CS..Hα-helixtrans-57.4-43.1179.4-61.4153.8000111L16 V24 L25 P28 L71 K77 L78 L95L16-I75 HydrophobicContact CB-CG1 4.39Å; L16-I75 HydrophobicContact CD1-CG1 4.43Å; L16-I75 HydrophobicContact CD2-CG1 4.04Å; V24-I75 HydrophobicContact CG1-CG2 3.89Å; L25-I75 HydrophobicContact CB-CD1 3.58Å; L25-I75 HydrophobicContact CD1-CD1 4.5Å; P28-I75 HydrophobicContact CG-CD1 4.11Å; L71-I75 HydrophobicContact CB-CD1 4.26Å; L71-I75 WeakPolarHBondContact O-CD1 3.3Å; L71-I75 VanDerWaalsContact O-CG1 3.29Å; L71-I75 WeakPolarHBondContact O-CG1 3.25Å; L71-I75 PolarHBondContact O-N 3.32Å; I75-K77 PolarHBondContact O-N 2.82Å; I75-K77 VanDerWaalsContact O-N 3.07Å; I75-L78 HydrophobicContact CG2-CD1 4.41Å; I75-L78 WeakPolarHBondContact O-CB 3.47Å; I75-L78 WeakPolarHBondContact O-CG 3.18Å; I75-L78 PolarHBondContact O-N 3.18Å; I75-L95 HydrophobicContact CG2-CD2 3.7Å; I75-L95 WeakPolarHBondContact O-CD2 3.43Å
76L94.1Very high92.8Very high52 Ų5268.2 Ų68.227%0.27236%0.364SS..THydrogen-bonded Turntrans-60.7-16.4176.3-77.1171.3000114.9K72 L74 L95 Q96K72-L76 HydrophobicContact CG-CD1 3.97Å; K72-L76 HydrophobicContact CG-CG 4.49Å; K72-L76 VanDerWaalsContact O-CB 3.28Å; K72-L76 WeakPolarHBondContact O-CB 3.5Å; K72-L76 WeakPolarHBondContact O-CD1 3.19Å; K72-L76 WeakPolarHBondContact O-CG 3.39Å; K72-L76 PolarHBondContact O-N 2.92Å; L74-L76 VanDerWaalsContact C-N 3.3Å; L74-L76 PolarHBondContact O-N 3.07Å; L76-L95 HydrophobicContact CD2-CG 4.42Å; L76-Q96 HydrophobicContact CB-CB 4.22Å; L76-Q96 HydrophobicContact CD2-CB 4.26Å; L76-Q96 WeakPolarHBondContact O-CB 3.28Å; L76-Q96 PolarHBondContact O-N 2.91Å
77K94.1Very high92.6Very high124 Ų12469.2 Ų69.254%0.53936%0.36SS..THydrogen-bonded Turntrans-94.1-11.1177.4-63.6170.1-176.7163.10113.8R73 L74 I75R73-K77 VanDerWaalsContact O-CD 3.31Å; R73-K77 WeakPolarHBondContact O-CD 3.06Å; R73-K77 WeakPolarHBondContact O-CE 3.44Å; R73-K77 WeakPolarHBondContact O-CG 3.27Å; L74-K77 WeakPolarHBondContact O-CB 3.47Å; L74-K77 PolarHBondContact O-N 2.84Å; I75-K77 PolarHBondContact O-N 2.82Å; I75-K77 VanDerWaalsContact O-N 3.07Å
78L94.6Very high92.4Very high42 Ų4266 Ų6622%0.2236%0.358CS..SBendtrans-62.8141.4176.4-62.7175.3000109.8F8 V12 L16 V24 I75 K94 L95F8-L78 HydrophobicContact CD1-CB 3.76Å; F8-L78 HydrophobicContact CD1-CD1 4.08Å; F8-L78 HydrophobicContact CE1-CB 3.73Å; F8-L78 HydrophobicContact CE1-CD1 3.83Å; F8-L78 HydrophobicContact CE1-CG 4.46Å; V12-L78 HydrophobicContact CG1-CD1 4.02Å; L16-L78 HydrophobicContact CD1-CD1 4.05Å; L16-L78 HydrophobicContact CD1-CD2 4.23Å; L16-L78 HydrophobicContact CD1-CG 4.47Å; V24-L78 HydrophobicContact CG1-CD1 4.06Å; I75-L78 HydrophobicContact CG2-CD1 4.41Å; I75-L78 WeakPolarHBondContact O-CB 3.47Å; I75-L78 WeakPolarHBondContact O-CG 3.18Å; I75-L78 PolarHBondContact O-N 3.18Å; L78-K94 WeakPolarHBondContact O-CA 3.22Å; L78-L95 PolarHBondContact O-N 3.3Å
79D95.3Very high92.4Very high73 Ų7364.9 Ų64.939%0.3935%0.351SS..EExtended strand (participates in β ladder)trans-83.8125.9176.5-72.9-56.8000109.6D9 V92 K94D9-D79 PolarHBondContact N-O 3.19Å; D79-V92 HydrophobicContact CB-CG1 3.78Å; D79-K94 WeakPolarHBondContact OD1-CG 3.36Å
80I95.3Very high92.5Very high0 Ų063.9 Ų63.90%037%0.365CS..EExtended strand (participates in β ladder)trans-131.8139.6-172.4-164.4176.6000111.6R7 F8 V92 V93 L95 L98R7-I80 HydrophobicContact CB-CD1 4.15Å; R7-I80 HydrophobicContact CB-CG1 3.94Å; R7-I80 WeakPolarHBondContact O-CG1 3.45Å; F8-I80 HydrophobicContact CD1-CB 3.97Å; F8-I80 HydrophobicContact CD1-CD1 4.36Å; F8-I80 HydrophobicContact CD1-CG1 4.1Å; F8-I80 HydrophobicContact CD2-CD1 4.49Å; F8-I80 HydrophobicContact CE1-CB 4.02Å; F8-I80 HydrophobicContact CE1-CD1 3.91Å; F8-I80 HydrophobicContact CE1-CG1 4.1Å; F8-I80 HydrophobicContact CE2-CD1 4.04Å; F8-I80 HydrophobicContact CG-CG1 4.36Å; F8-I80 HydrophobicContact CZ-CD1 3.73Å; F8-I80 HydrophobicContact CZ-CG1 4.36Å; I80-V92 WeakPolarHBondContact O-CA 3.38Å; I80-V93 WeakPolarHBondContact CG2-O 3.48Å; I80-V93 PolarHBondContact N-O 3.07Å; I80-V93 PolarHBondContact O-N 2.7Å; I80-V93 VanDerWaalsContact O-O 3.09Å; I80-L95 HydrophobicContact CD1-CD1 3.9Å; I80-L95 HydrophobicContact CG2-CB 4.12Å; I80-L95 HydrophobicContact CG2-CD1 3.99Å; I80-L98 HydrophobicContact CD1-CD2 4.35Å; I80-L98 HydrophobicContact CG2-CB 4.35Å; I80-L98 HydrophobicContact CG2-CD1 4.46Å; I80-L98 HydrophobicContact CG2-CD2 4.09Å
81K94.9Very high92.4Very high64 Ų6466.1 Ų66.128%0.27836%0.362SS..EExtended strand (participates in β ladder)trans-71.4139.5174.7-65.7153.2-178.8135.60110.1R7 F8 D9 V92R7-K81 PolarHBondContact NH2-O 3.34Å; R7-K81 VanDerWaalsContact O-CB 3.26Å; R7-K81 WeakPolarHBondContact O-CB 3.47Å; R7-K81 WeakPolarHBondContact O-CD 3.47Å; R7-K81 WeakPolarHBondContact O-CG 3.38Å; R7-K81 PolarHBondContact O-N 2.9Å; F8-K81 PolarHBondContact O-NZ 2.64Å; D9-K81 WeakPolarHBondContact OD1-CE 3.5Å; D9-K81 IonicContact OD1-NZ 3.02Å; D9-K81 PolarHBondContact OD1-NZ 2.94Å; K81-V92 HydrophobicContact CG-CG2 3.95Å
82C93.6Very high92.6Very high2 Ų267.2 Ų67.21%0.01437%0.37CS..  trans-52.5140174.2-176.30000111.6Y84 A85 C89 R91 H101C82-Y84 PolarHBondContact O-N 2.86Å; C82-Y84 VanDerWaalsContact O-N 3.08Å; C82-Y84 PolarHBondContact SG-N 3.17Å; C82-Y84 VanDerWaalsContact SG-N 3.42Å; C82-A85 VanDerWaalsContact O-CB 3.22Å; C82-A85 WeakPolarHBondContact O-CB 3.3Å; C82-A85 PolarHBondContact O-N 3.48Å; C82-C89 HydrophobicContact CB-CB 4.04Å; C82-R91 PolarHBondContact N-O 2.91Å; C82-H101 PolarHBondContact SG-NE2 2.75Å
83A90.9Very high92.7Very high52 Ų5264.7 Ų64.743%0.4336%0.361SS..THydrogen-bonded Turntrans-58.9-2217500000112.7L102A83-L102 HydrophobicContact CB-CD2 3.96Å
84Y92.4Very high92.8Very high58 Ų5860.9 Ų60.923%0.22735%0.349CS..THydrogen-bonded Turntrans-93.318.7175.4-48.4-55.1000113.5C82 A86 R87 G88 C89 L102 C105 A108 P109C82-Y84 PolarHBondContact O-N 2.86Å; C82-Y84 VanDerWaalsContact O-N 3.08Å; C82-Y84 PolarHBondContact SG-N 3.17Å; C82-Y84 VanDerWaalsContact SG-N 3.42Å; Y84-A86 VanDerWaalsContact C-N 3.32Å; Y84-A86 PolarHBondContact O-N 2.73Å; Y84-R87 WeakPolarHBondContact O-CA 3.28Å; Y84-R87 WeakPolarHBondContact O-CB 3.49Å; Y84-R87 PolarHBondContact O-N 3.46Å; Y84-G88 PolarHBondContact O-N 2.83Å; Y84-C89 WeakPolarHBondContact O-CB 3.27Å; Y84-C89 PolarHBondContact O-N 3.25Å; Y84-C89 VanDerWaalsContact O-N 3.09Å; Y84-L102 HydrophobicContact CD2-CD2 3.75Å; Y84-L102 HydrophobicContact CE2-CB 4.48Å; Y84-L102 HydrophobicContact CE2-CD2 3.43Å; Y84-L102 VanDerWaalsContact CE2-CD2 3.43Å; Y84-C105 HydrophobicContact CD2-CB 3.99Å; Y84-C105 HydrophobicContact CE2-CB 4.38Å; Y84-A108 HydrophobicContact CD2-CB 3.8Å; Y84-A108 HydrophobicContact CE2-CB 3.36Å; Y84-P109 HydrophobicContact CE1-CG 4.28Å
85A89.7Confident92.9Very high45 Ų4557.2 Ų57.237%0.37233%0.33SS..G310 helixtrans-56.7-43.2175.300000112.3C82 R87 G88 C89C82-A85 VanDerWaalsContact O-CB 3.22Å; C82-A85 WeakPolarHBondContact O-CB 3.3Å; C82-A85 PolarHBondContact O-N 3.48Å; A85-R87 PolarHBondContact O-N 2.9Å; A85-R87 VanDerWaalsContact O-N 3.09Å; A85-G88 PolarHBondContact O-N 3.49Å; A85-C89 WeakPolarHBondContact CA-O 3.48Å
86A86.7Confident92.9Very high108 Ų10863.3 Ų63.389%0.89336%0.359SS*.G310 helixtrans-62.5-14.5173.900000114.3Y84Y84-A86 VanDerWaalsContact C-N 3.32Å; Y84-A86 PolarHBondContact O-N 2.73Å
87R88Confident92.9Very high122 Ų12265.7 Ų65.746%0.4637%0.368SS..G310 helixtrans-96.62.9173.3-60.7-178.6170.9-139.7-4.1113.1Y84 A85 F107 L122Y84-R87 WeakPolarHBondContact O-CA 3.28Å; Y84-R87 WeakPolarHBondContact O-CB 3.49Å; Y84-R87 PolarHBondContact O-N 3.46Å; A85-R87 PolarHBondContact O-N 2.9Å; A85-R87 VanDerWaalsContact O-N 3.09Å; R87-F107 HydrophobicContact CB-CB 4.27Å; R87-F107 VanDerWaalsContact CD-O 3.31Å; R87-F107 WeakPolarHBondContact CD-O 3.49Å; R87-F107 WeakPolarHBondContact O-CD1 3.41Å; R87-L122 HydrophobicContact CB-CD2 4.46Å
88G89.6Confident92.9Very high48 Ų4860.3 Ų60.350%0.49535%0.345SS..THydrogen-bonded Turntrans107.21.9-179.100000115.3Y84 A85 G90 F107Y84-G88 PolarHBondContact O-N 2.83Å; A85-G88 PolarHBondContact O-N 3.49Å; G88-G90 PolarHBondContact O-N 3.41Å; G88-F107 WeakPolarHBondContact O-CZ 3.47Å
89C93.8Very high92.9Very high2 Ų262 Ų621%0.01436%0.359CS..  trans-79.383.9178.8-162.50000112.8C82 Y84 A85 R91 H101 C105 F107C82-C89 HydrophobicContact CB-CB 4.04Å; Y84-C89 WeakPolarHBondContact O-CB 3.27Å; Y84-C89 PolarHBondContact O-N 3.25Å; Y84-C89 VanDerWaalsContact O-N 3.09Å; A85-C89 WeakPolarHBondContact CA-O 3.48Å; C89-R91 PolarHBondContact O-N 3.43Å; C89-H101 PolarHBondContact SG-NE2 3.37Å; C89-H101 VanDerWaalsContact SG-NE2 3.42Å; C89-C105 PolarHBondContact SG-SG 3.42Å; C89-F107 HydrophobicContact CB-CB 3.98Å; C89-F107 HydrophobicContact CB-CD2 3.53Å; C89-F107 HydrophobicContact CB-CE2 4.2Å; C89-F107 HydrophobicContact CB-CG 3.89Å
90G92.1Very high92.8Very high79 Ų7963.4 Ų63.481%0.81436%0.363SS*.  trans-69.422.6175.300000116G88G88-G90 PolarHBondContact O-N 3.41Å
91R92.5Very high92.8Very high138 Ų13864.2 Ų64.252%0.52137%0.367SS..  trans-86.4124.5176.4-64.4-156.2-163.2-166.77.9111C82 C89 D106C82-R91 PolarHBondContact N-O 2.91Å; C89-R91 PolarHBondContact O-N 3.43Å; R91-D106 IonicContact NH2-OD2 3.53Å
92V94.9Very high92.7Very high58 Ų5863.2 Ų63.235%0.35236%0.364SS..EExtended strand (participates in β ladder)trans-93.9135158.7-176.10000107.5D9 D79 I80 K81D9-V92 HydrophobicContact CB-CG1 3.92Å; D9-V92 HydrophobicContact CB-CG2 4.41Å; D79-V92 HydrophobicContact CB-CG1 3.78Å; I80-V92 WeakPolarHBondContact O-CA 3.38Å; K81-V92 HydrophobicContact CG-CG2 3.95Å
93V94.7Very high92.7Very high25 Ų2568.9 Ų68.915%0.15239%0.39CS..EExtended strand (participates in β ladder)trans-141.4160.3177.9-64.40000109.2I80 L98 H101I80-V93 WeakPolarHBondContact CG2-O 3.48Å; I80-V93 PolarHBondContact N-O 3.07Å; I80-V93 PolarHBondContact O-N 2.7Å; I80-V93 VanDerWaalsContact O-O 3.09Å; V93-L98 HydrophobicContact CG2-CB 4.26Å; V93-L98 HydrophobicContact CG2-CD1 4.03Å; V93-H101 HydrophobicContact CG1-CB 4.4Å; V93-H101 HydrophobicContact CG2-CB 4.33Å
94K95.4Very high92.7Very high95 Ų9574.3 Ų74.341%0.41340%0.4SS..EExtended strand (participates in β ladder)trans-65.8143.7171.5-71.5-179.9176.2172.30110.4L78 D79 Q96 Q97 L98L78-K94 WeakPolarHBondContact O-CA 3.22Å; D79-K94 WeakPolarHBondContact OD1-CG 3.36Å; K94-Q96 PolarHBondContact O-N 2.89Å; K94-Q96 VanDerWaalsContact O-N 3.15Å; K94-Q97 CarbonylContact O-C 3.53Å; K94-Q97 WeakPolarHBondContact O-CA 3.47Å; K94-Q97 PolarHBondContact O-N 2.72Å; K94-L98 PolarHBondContact O-N 2.83Å; K94-L98 VanDerWaalsContact O-N 3.16Å
95L94.5Very high92.8Very high10 Ų1071.5 Ų71.55%0.05239%0.389CS..G310 helixtrans-54.6-36.6-178.4-178.566000112.6F3 F8 I75 L76 L78 I80 Q97 L98F3-L95 HydrophobicContact CD1-CD1 4.31Å; F3-L95 HydrophobicContact CD2-CD2 4.1Å; F3-L95 HydrophobicContact CE1-CD1 4.1Å; F3-L95 HydrophobicContact CE2-CD2 3.79Å; F3-L95 HydrophobicContact CZ-CD1 4.25Å; F3-L95 HydrophobicContact CZ-CD2 4.11Å; F8-L95 HydrophobicContact CE1-CD2 4.49Å; I75-L95 HydrophobicContact CG2-CD2 3.7Å; I75-L95 WeakPolarHBondContact O-CD2 3.43Å; L76-L95 HydrophobicContact CD2-CG 4.42Å; L78-L95 PolarHBondContact O-N 3.3Å; I80-L95 HydrophobicContact CD1-CD1 3.9Å; I80-L95 HydrophobicContact CG2-CB 4.12Å; I80-L95 HydrophobicContact CG2-CD1 3.99Å; L95-Q97 PolarHBondContact O-N 3.02Å; L95-L98 HydrophobicContact CD1-CD2 4.03Å; L95-L98 WeakPolarHBondContact O-CB 3.43Å; L95-L98 PolarHBondContact O-N 3.31Å
96Q94.6Very high93Very high133 Ų13372.5 Ų72.562%0.62139%0.388SS*.G310 helixtrans-58-31.7172.2-170.2176.4000114.2L76 K94L76-Q96 HydrophobicContact CB-CB 4.22Å; L76-Q96 HydrophobicContact CD2-CB 4.26Å; L76-Q96 WeakPolarHBondContact O-CB 3.28Å; L76-Q96 PolarHBondContact O-N 2.91Å; K94-Q96 PolarHBondContact O-N 2.89Å; K94-Q96 VanDerWaalsContact O-N 3.15Å
97Q94.3Very high93.3Very high101 Ų10169.1 Ų69.147%0.47235%0.353SS..G310 helixtrans-96.9-1.5-177.7-60.3179.7-57.200112.6K94 L95 H101K94-Q97 CarbonylContact O-C 3.53Å; K94-Q97 WeakPolarHBondContact O-CA 3.47Å; K94-Q97 PolarHBondContact O-N 2.72Å; L95-Q97 PolarHBondContact O-N 3.02Å; Q97-H101 PolarHBondContact O-N 3.27Å; Q97-H101 VanDerWaalsContact O-N 3.1Å
98L94.1Very high93.6Very high12 Ų1263.3 Ų63.36%0.06333%0.331CS..Hα-helixtrans-61.3-41.4179.1-178.165.5000113I80 V93 K94 L95 H101 L102I80-L98 HydrophobicContact CD1-CD2 4.35Å; I80-L98 HydrophobicContact CG2-CB 4.35Å; I80-L98 HydrophobicContact CG2-CD1 4.46Å; I80-L98 HydrophobicContact CG2-CD2 4.09Å; V93-L98 HydrophobicContact CG2-CB 4.26Å; V93-L98 HydrophobicContact CG2-CD1 4.03Å; K94-L98 PolarHBondContact O-N 2.83Å; K94-L98 VanDerWaalsContact O-N 3.16Å; L95-L98 HydrophobicContact CD1-CD2 4.03Å; L95-L98 WeakPolarHBondContact O-CB 3.43Å; L95-L98 PolarHBondContact O-N 3.31Å; L98-H101 PolarHBondContact O-N 3Å; L98-L102 HydrophobicContact CD1-CD1 4.12Å; L98-L102 HydrophobicContact CD1-CD2 4.3Å; L98-L102 HydrophobicContact CD1-CG 3.98Å; L98-L102 HydrophobicContact CD2-CD1 4.37Å; L98-L102 HydrophobicContact CG-CD1 3.84Å; L98-L102 HydrophobicContact CG-CG 4.16Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.44Å; L98-L102 PolarHBondContact O-N 3.48Å
99P93.5Very high93.9Very high77 Ų7763.4 Ų63.450%0.532%0.323SS..Hα-helixtrans-60.3-53178.2-24.335.5000112.6H101 L102 E103P99-H101 PolarHBondContact O-N 3.47Å; P99-L102 PolarHBondContact O-N 3.3Å; P99-E103 PolarHBondContact O-N 3.21Å
100E94.4Very high93.8Very high103 Ų10364.3 Ų64.348%0.48133%0.33SS..Hα-helixtrans-55.1-35.8175.6-62.3-179.6-15500112.2R104E100-R104 WeakPolarHBondContact O-CG 3.47Å
101H94.7Very high93.9Very high16 Ų1669.7 Ų69.77%0.07433%0.326CS..Hα-helixtrans-70.2-45175178.741.4000112.3C82 C89 V93 Q97 L98 P99 E103 R104 C105C82-H101 PolarHBondContact SG-NE2 2.75Å; C89-H101 PolarHBondContact SG-NE2 3.37Å; C89-H101 VanDerWaalsContact SG-NE2 3.42Å; V93-H101 HydrophobicContact CG1-CB 4.4Å; V93-H101 HydrophobicContact CG2-CB 4.33Å; Q97-H101 PolarHBondContact O-N 3.27Å; Q97-H101 VanDerWaalsContact O-N 3.1Å; L98-H101 PolarHBondContact O-N 3Å; P99-H101 PolarHBondContact O-N 3.47Å; H101-E103 PolarHBondContact O-N 3.43Å; H101-R104 CarbonylContact O-C 3.59Å; H101-R104 PolarHBondContact O-N 2.62Å; H101-R104 VanDerWaalsContact O-N 3.11Å; H101-C105 WeakPolarHBondContact O-CA 3.48Å; H101-C105 VanDerWaalsContact O-CB 3.25Å; H101-C105 WeakPolarHBondContact O-CB 3.49Å; H101-C105 PolarHBondContact O-N 2.85Å
102L93.2Very high94Very high43 Ų4363.7 Ų63.723%0.22531%0.305CS..Hα-helixtrans-64.5-39.4-178.4-69.1170.5000112.1A83 Y84 L98 P99 R104 C105 R123A83-L102 HydrophobicContact CB-CD2 3.96Å; Y84-L102 HydrophobicContact CD2-CD2 3.75Å; Y84-L102 HydrophobicContact CE2-CB 4.48Å; Y84-L102 HydrophobicContact CE2-CD2 3.43Å; Y84-L102 VanDerWaalsContact CE2-CD2 3.43Å; L98-L102 HydrophobicContact CD1-CD1 4.12Å; L98-L102 HydrophobicContact CD1-CD2 4.3Å; L98-L102 HydrophobicContact CD1-CG 3.98Å; L98-L102 HydrophobicContact CD2-CD1 4.37Å; L98-L102 HydrophobicContact CG-CD1 3.84Å; L98-L102 HydrophobicContact CG-CG 4.16Å; L98-L102 VanDerWaalsContact O-CG 3.29Å; L98-L102 WeakPolarHBondContact O-CG 3.44Å; L98-L102 PolarHBondContact O-N 3.48Å; P99-L102 PolarHBondContact O-N 3.3Å; L102-R104 PolarHBondContact O-N 2.98Å; L102-C105 PolarHBondContact O-N 3.44Å; L102-R123 PolarHBondContact O-NH1 3.48Å
103E92Very high93.9Very high121 Ų12170.4 Ų70.457%0.56532%0.324SS*.Hα-helixtrans-54.3-36.7170.7-74.3179.9177.500113.1P99 H101 R123P99-E103 PolarHBondContact O-N 3.21Å; H101-E103 PolarHBondContact O-N 3.43Å; E103-R123 PolarHBondContact O-NH1 2.68Å; E103-R123 PolarHBondContact O-NH2 3.14Å; E103-R123 VanDerWaalsContact O-NH2 3.08Å
104R91Very high93.6Very high166 Ų16671 Ų7163%0.62633%0.326SS*.THydrogen-bonded Turntrans-1129.1-171.5-56.7176.7-161.3161.112.7112.9E100 H101 L102 D106E100-R104 WeakPolarHBondContact O-CG 3.47Å; H101-R104 CarbonylContact O-C 3.59Å; H101-R104 PolarHBondContact O-N 2.62Å; H101-R104 VanDerWaalsContact O-N 3.11Å; L102-R104 PolarHBondContact O-N 2.98Å; R104-D106 PolarHBondContact O-N 3.34Å
105C94.7Very high93Very high0 Ų071.1 Ų71.10%034%0.344CS..  trans-74.5124-176.5-175.60000110.9Y84 C89 H101 L102 F107 A108 R123Y84-C105 HydrophobicContact CD2-CB 3.99Å; Y84-C105 HydrophobicContact CE2-CB 4.38Å; C89-C105 PolarHBondContact SG-SG 3.42Å; H101-C105 WeakPolarHBondContact O-CA 3.48Å; H101-C105 VanDerWaalsContact O-CB 3.25Å; H101-C105 WeakPolarHBondContact O-CB 3.49Å; H101-C105 PolarHBondContact O-N 2.85Å; L102-C105 PolarHBondContact O-N 3.44Å; C105-F107 PolarHBondContact O-N 2.79Å; C105-A108 HydrophobicContact CB-CB 4.32Å; C105-A108 WeakPolarHBondContact O-CB 3.36Å; C105-A108 PolarHBondContact O-N 2.95Å; C105-R123 WeakPolarHBondContact O-CB 3.36Å; C105-R123 PolarHBondContact O-NH1 3.36Å
106D93.4Very high92.4Very high65 Ų6574.7 Ų74.735%0.34838%0.383SS..THydrogen-bonded Turntrans-57.2-27.6177.4-58.1-62.5000113.8R91 R104 R123 R124R91-D106 IonicContact NH2-OD2 3.53Å; R104-D106 PolarHBondContact O-N 3.34Å; D106-R123 PolarHBondContact O-N 3.22Å; D106-R123 VanDerWaalsContact O-N 3.13Å; D106-R124 HydrophobicContact CB-CB 4.08Å; D106-R124 WeakPolarHBondContact O-CG 3.46Å; D106-R124 PolarHBondContact O-N 3.06Å
107F95.1Very high92.1Very high37 Ų3769.3 Ų69.316%0.16236%0.36CS..THydrogen-bonded Turntrans-101.21.4-174.4-56.8-92.5000113.6R87 G88 C89 C105 L122 R124R87-F107 HydrophobicContact CB-CB 4.27Å; R87-F107 VanDerWaalsContact CD-O 3.31Å; R87-F107 WeakPolarHBondContact CD-O 3.49Å; R87-F107 WeakPolarHBondContact O-CD1 3.41Å; G88-F107 WeakPolarHBondContact O-CZ 3.47Å; C89-F107 HydrophobicContact CB-CB 3.98Å; C89-F107 HydrophobicContact CB-CD2 3.53Å; C89-F107 HydrophobicContact CB-CE2 4.2Å; C89-F107 HydrophobicContact CB-CG 3.89Å; C105-F107 PolarHBondContact O-N 2.79Å; F107-L122 HydrophobicContact CD1-CD1 4.22Å; F107-L122 WeakPolarHBondContact O-CD2 3.41Å; F107-R124 VanDerWaalsContact CE1-NH1 3.28Å
108A94.1Very high91.9Very high0 Ų067.6 Ų67.60%037%0.37CS..SBendtrans-64146.8172.500000110.6Y84 C105 A110 L122 R123Y84-A108 HydrophobicContact CD2-CB 3.8Å; Y84-A108 HydrophobicContact CE2-CB 3.36Å; C105-A108 HydrophobicContact CB-CB 4.32Å; C105-A108 WeakPolarHBondContact O-CB 3.36Å; C105-A108 PolarHBondContact O-N 2.95Å; A108-A110 PolarHBondContact O-N 3.37Å; A108-L122 WeakPolarHBondContact O-CA 3.27Å; A108-R123 PolarHBondContact O-N 3Å
109P94.2Very high91.8Very high50 Ų5071.6 Ų71.633%0.32539%0.388SS..EExtended strand (participates in β ladder)trans-61.6131.7165.126-30.2000109.9Y84 V120 L121Y84-P109 HydrophobicContact CE1-CG 4.28Å; P109-V120 HydrophobicContact CB-CG1 3.75Å; P109-L121 WeakPolarHBondContact CA-O 3.23Å
110A93.3Very high91.8Very high21 Ų2171.8 Ų71.817%0.17439%0.387CS..EExtended strand (participates in β ladder)trans-136.5136.1168.700000109.5A108 L121 R123 V126A108-A110 PolarHBondContact O-N 3.37Å; A110-L121 PolarHBondContact N-O 3.27Å; A110-L121 PolarHBondContact O-N 3Å; A110-R123 HydrophobicContact CB-CB 4.25Å; A110-V126 HydrophobicContact CB-CG2 3.71Å; A110-V126 WeakPolarHBondContact O-CG2 3.24Å
111R94.3Very high91.7Very high193 Ų19368.9 Ų68.973%0.72838%0.375SS*.EExtended strand (participates in β ladder)trans-74.7147.1173.4-71.9173.6-174.6-115.85.3109.7Q119 V120R111-Q119 WeakPolarHBondContact CA-O 3.22Å; R111-V120 HydrophobicContact CG-CG2 3.95Å
112C93.6Very high91.6Very high12 Ų1269.6 Ų69.68%0.08138%0.379CS..  trans-59.5141.3166.7-175.20000110.5C117 Q119 H129C112-C117 HydrophobicContact CB-CB 3.8Å; C112-Q119 PolarHBondContact N-O 3.3Å; C112-H129 PolarHBondContact SG-CD2 2.9Å; C112-H129 PolarHBondContact SG-NE2 3Å
113R92.2Very high91.6Very high199 Ų19971.8 Ų71.875%0.75138%0.384SS*.SBendtrans-88.8-3.8-178-52179.6-173.2157.44113.7M130R113-M130 HydrophobicContact CB-CE 3.8Å; R113-M130 HydrophobicContact CB-SD 3.76Å; R113-M130 HydrophobicContact CG-CE 4.36Å; R113-M130 HydrophobicContact CG-SD 3.84Å
114H89.4Confident91.7Very high38 Ų3872.2 Ų72.218%0.17638%0.381CS..SBendtrans-81.4125.2176.6-68.1145.1000111.1G116 C117 M130 C134 A136H114-G116 PolarHBondContact O-N 3.36Å; H114-C117 HydrophobicContact CB-CB 4.47Å; H114-C117 WeakPolarHBondContact O-CB 3.45Å; H114-C117 PolarHBondContact O-N 3.19Å; H114-M130 PolarHBondContact CE1-O 2.85Å; H114-M130 VanDerWaalsContact CE1-O 3.25Å; H114-C134 PolarHBondContact ND1-SG 2.73Å; H114-A136 HydrophobicContact CB-CB 4.09Å
115A83.1Confident91.7Very high97 Ų9767.5 Ų67.580%0.80237%0.366SS*.THydrogen-bonded Turntrans-56.2126.2177.900000110.8
116G80.8Confident91.7Very high84 Ų8467.9 Ų67.987%0.86637%0.368SS*.THydrogen-bonded Turntrans93.7-11.1-174.100000115.2H114H114-G116 PolarHBondContact O-N 3.36Å
117C89.6Confident91.6Very high20 Ų2070 Ų7014%0.13538%0.376CS..  trans-90.5106.8171.5-166.90000111.8C112 H114 Q119 H129 A136C112-C117 HydrophobicContact CB-CB 3.8Å; H114-C117 HydrophobicContact CB-CB 4.47Å; H114-C117 WeakPolarHBondContact O-CB 3.45Å; H114-C117 PolarHBondContact O-N 3.19Å; C117-Q119 VanDerWaalsContact C-N 3.27Å; C117-Q119 PolarHBondContact O-N 3.12Å; C117-H129 PolarHBondContact SG-NE2 3.04Å; C117-H129 VanDerWaalsContact SG-NE2 3.36Å; C117-A136 HydrophobicContact CB-CB 3.78Å
118G89.2Confident91.5Very high66 Ų6670.2 Ų70.268%0.6839%0.385SS*.  trans-78.41.7175.200000115.7
119Q91.4Very high91.5Very high96 Ų9671 Ų7145%0.44939%0.388SS..  trans-70.8134.4-171.8-65.2-172.99.900112.6R111 C112 C117 H129R111-Q119 WeakPolarHBondContact CA-O 3.22Å; C112-Q119 PolarHBondContact N-O 3.3Å; C117-Q119 VanDerWaalsContact C-N 3.27Å; C117-Q119 PolarHBondContact O-N 3.12Å; Q119-H129 PolarHBondContact OE1-CE1 3.41Å; Q119-H129 PolarHBondContact OE1-ND1 3.09Å
120V93.7Very high91.3Very high80 Ų8070.3 Ų70.349%0.48538%0.381SS..EExtended strand (participates in β ladder)trans-107124170.2-177.30000107.9P109 R111P109-V120 HydrophobicContact CB-CG1 3.75Å; R111-V120 HydrophobicContact CG-CG2 3.95Å
121L93.1Very high91.1Very high43 Ų4375.5 Ų75.523%0.22540%0.396CS..EExtended strand (participates in β ladder)trans-128.6175.6-176.1-62.2167.2000110.1P109 A110 E125 V126 H129P109-L121 WeakPolarHBondContact CA-O 3.23Å; A110-L121 PolarHBondContact N-O 3.27Å; A110-L121 PolarHBondContact O-N 3Å; L121-E125 HydrophobicContact CB-CB 4.44Å; L121-V126 HydrophobicContact CB-CG2 3.9Å; L121-H129 HydrophobicContact CD1-CB 3.31Å
122L93Very high90.8Very high30 Ų3071.4 Ų71.416%0.15739%0.389CS..EExtended strand (participates in β ladder)trans-70.3141.4165.5-54.9-177.3000109.1R87 F107 A108 R124 E125 V126R87-L122 HydrophobicContact CB-CD2 4.46Å; F107-L122 HydrophobicContact CD1-CD1 4.22Å; F107-L122 WeakPolarHBondContact O-CD2 3.41Å; A108-L122 WeakPolarHBondContact O-CA 3.27Å; L122-R124 HydrophobicContact CB-CG 4.2Å; L122-R124 PolarHBondContact O-N 3.25Å; L122-R124 VanDerWaalsContact O-N 3.1Å; L122-E125 WeakPolarHBondContact CB-OE2 3.29Å; L122-E125 WeakPolarHBondContact CG-OE2 3.28Å; L122-E125 WeakPolarHBondContact O-CA 3.2Å; L122-E125 WeakPolarHBondContact O-CB 3.33Å; L122-E125 PolarHBondContact O-N 2.97Å; L122-V126 PolarHBondContact O-N 2.97Å; L122-V126 VanDerWaalsContact O-N 3.15Å
123R92.6Very high90.5Very high89 Ų8973.5 Ų73.534%0.33641%0.407SS..Hα-helixtrans-51.1-38.6-176-176176.5-77.1134.6-14.9113.3L102 E103 C105 D106 A108 A110 E125 V126L102-R123 PolarHBondContact O-NH1 3.48Å; E103-R123 PolarHBondContact O-NH1 2.68Å; E103-R123 PolarHBondContact O-NH2 3.14Å; E103-R123 VanDerWaalsContact O-NH2 3.08Å; C105-R123 WeakPolarHBondContact O-CB 3.36Å; C105-R123 PolarHBondContact O-NH1 3.36Å; D106-R123 PolarHBondContact O-N 3.22Å; D106-R123 VanDerWaalsContact O-N 3.13Å; A108-R123 PolarHBondContact O-N 3Å; A110-R123 HydrophobicContact CB-CB 4.25Å; R123-E125 VanDerWaalsContact C-N 3.29Å; R123-E125 PolarHBondContact O-N 3.36Å; R123-V126 PolarHBondContact O-N 3.13Å
124R93.1Very high90.6Very high130 Ų13064 Ų6449%0.49137%0.371SS..Hα-helixtrans-63.2-27.8174.869.7-173.9-168.8177.84.5114.8D106 F107 L122D106-R124 HydrophobicContact CB-CB 4.08Å; D106-R124 WeakPolarHBondContact O-CG 3.46Å; D106-R124 PolarHBondContact O-N 3.06Å; F107-R124 VanDerWaalsContact CE1-NH1 3.28Å; L122-R124 HydrophobicContact CB-CG 4.2Å; L122-R124 PolarHBondContact O-N 3.25Å; L122-R124 VanDerWaalsContact O-N 3.1Å
125E93Very high90.5Very high68 Ų6865.6 Ų65.632%0.31838%0.381SS..Hα-helixtrans-92.8-22.5-177.3-78.7140.2-146.600112.4L121 L122 R123 E127 A128 H129L121-E125 HydrophobicContact CB-CB 4.44Å; L122-E125 WeakPolarHBondContact CB-OE2 3.29Å; L122-E125 WeakPolarHBondContact CG-OE2 3.28Å; L122-E125 WeakPolarHBondContact O-CA 3.2Å; L122-E125 WeakPolarHBondContact O-CB 3.33Å; L122-E125 PolarHBondContact O-N 2.97Å; R123-E125 VanDerWaalsContact C-N 3.29Å; R123-E125 PolarHBondContact O-N 3.36Å; E125-E127 VanDerWaalsContact C-N 3.26Å; E125-E127 PolarHBondContact O-N 3.47Å; E125-A128 PolarHBondContact O-N 2.93Å; E125-H129 WeakPolarHBondContact O-CB 3.34Å; E125-H129 PolarHBondContact O-N 3.44Å
126V93Very high90.8Very high7 Ų761.8 Ų61.84%0.04235%0.349CS..Hα-helixtrans-55-40.1180169.40000112.1A110 L121 L122 R123 M130A110-V126 HydrophobicContact CB-CG2 3.71Å; A110-V126 WeakPolarHBondContact O-CG2 3.24Å; L121-V126 HydrophobicContact CB-CG2 3.9Å; L122-V126 PolarHBondContact O-N 2.97Å; L122-V126 VanDerWaalsContact O-N 3.15Å; R123-V126 PolarHBondContact O-N 3.13Å; V126-M130 HydrophobicContact CG1-CG 4.23Å; V126-M130 HydrophobicContact CG1-SD 3.86Å; V126-M130 VanDerWaalsContact O-CB 3.28Å; V126-M130 WeakPolarHBondContact O-CB 3.42Å; V126-M130 VanDerWaalsContact O-CG 3.27Å; V126-M130 WeakPolarHBondContact O-CG 3.27Å; V126-M130 PolarHBondContact O-N 3.15Å
127E91.4Very high91.2Very high111 Ų11161 Ų6152%0.51932%0.321SS..Hα-helixtrans-69.2-42.9179.5-64.8-163.1176.700113.5E125 M130 R131E125-E127 VanDerWaalsContact C-N 3.26Å; E125-E127 PolarHBondContact O-N 3.47Å; E127-M130 PolarHBondContact O-N 2.82Å; E127-R131 WeakPolarHBondContact O-CG 3.36Å; E127-R131 PolarHBondContact O-N 3.42Å; E127-R131 IonicContact OE2-NH1 3.04Å; E127-R131 PolarHBondContact OE2-NH1 3.23Å
128A92.9Very high91.1Very high41 Ų4164 Ų6434%0.33934%0.339SS..Hα-helixtrans-65.6-42.3176.900000110.5E125 R131 D132E125-A128 PolarHBondContact O-N 2.93Å; A128-R131 PolarHBondContact O-N 2.93Å; A128-D132 WeakPolarHBondContact O-CB 3.35Å; A128-D132 PolarHBondContact O-N 2.79Å
129H93.8Very high91Very high15 Ų1563.7 Ų63.77%0.06932%0.324CS..Iπ-helixtrans-57.1-53.2169.9166.385.6000111.3C112 C117 Q119 L121 E125 R131 D132 A133 C134C112-H129 PolarHBondContact SG-CD2 2.9Å; C112-H129 PolarHBondContact SG-NE2 3Å; C117-H129 PolarHBondContact SG-NE2 3.04Å; C117-H129 VanDerWaalsContact SG-NE2 3.36Å; Q119-H129 PolarHBondContact OE1-CE1 3.41Å; Q119-H129 PolarHBondContact OE1-ND1 3.09Å; L121-H129 HydrophobicContact CD1-CB 3.31Å; E125-H129 WeakPolarHBondContact O-CB 3.34Å; E125-H129 PolarHBondContact O-N 3.44Å; H129-R131 VanDerWaalsContact C-N 3.32Å; H129-R131 PolarHBondContact O-N 3.28Å; H129-D132 PolarHBondContact O-N 3.11Å; H129-A133 CarbonylContact O-C 3.58Å; H129-A133 PolarHBondContact O-N 2.74Å; H129-C134 WeakPolarHBondContact NE2-CB 3.31Å; H129-C134 PolarHBondContact NE2-SG 3.26Å; H129-C134 VanDerWaalsContact NE2-SG 3.38Å; H129-C134 WeakPolarHBondContact O-CB 3.2Å; H129-C134 PolarHBondContact O-N 3.08Å
130M91.8Very high90.7Very high37 Ų3761 Ų6118%0.18232%0.322CS..Iπ-helixtrans-57.6-42.3-178.9-82-178.86300112.5R113 H114 V126 E127 R137R113-M130 HydrophobicContact CB-CE 3.8Å; R113-M130 HydrophobicContact CB-SD 3.76Å; R113-M130 HydrophobicContact CG-CE 4.36Å; R113-M130 HydrophobicContact CG-SD 3.84Å; H114-M130 PolarHBondContact CE1-O 2.85Å; H114-M130 VanDerWaalsContact CE1-O 3.25Å; V126-M130 HydrophobicContact CG1-CG 4.23Å; V126-M130 HydrophobicContact CG1-SD 3.86Å; V126-M130 VanDerWaalsContact O-CB 3.28Å; V126-M130 WeakPolarHBondContact O-CB 3.42Å; V126-M130 VanDerWaalsContact O-CG 3.27Å; V126-M130 WeakPolarHBondContact O-CG 3.27Å; V126-M130 PolarHBondContact O-N 3.15Å; E127-M130 PolarHBondContact O-N 2.82Å; M130-R137 WeakPolarHBondContact O-CD 3.45Å
131R88.9Confident90.5Very high129 Ų12965.6 Ų65.649%0.48733%0.331SS..Iπ-helixtrans-70.5-47.7177.9-72.2-174.7-61.2-101.2-2.9112.5E127 A128 H129 R137E127-R131 WeakPolarHBondContact O-CG 3.36Å; E127-R131 PolarHBondContact O-N 3.42Å; E127-R131 IonicContact OE2-NH1 3.04Å; E127-R131 PolarHBondContact OE2-NH1 3.23Å; A128-R131 PolarHBondContact O-N 2.93Å; H129-R131 VanDerWaalsContact C-N 3.32Å; H129-R131 PolarHBondContact O-N 3.28Å; R131-R137 WeakPolarHBondContact O-CD 3.31Å; R131-R137 VanDerWaalsContact O-CZ 3.26Å; R131-R137 PolarHBondContact O-NE 2.99Å; R131-R137 PolarHBondContact O-NH1 2.81Å
132D87.1Confident90.2Very high107 Ų10764 Ų6457%0.57232%0.323SS*.Iπ-helixtrans-117.4-33.9-154.5-51-51.9000113.6A128 H129A128-D132 WeakPolarHBondContact O-CB 3.35Å; A128-D132 PolarHBondContact O-N 2.79Å; H129-D132 PolarHBondContact O-N 3.11Å
133A88.2Confident89.8Confident57 Ų5771.7 Ų71.747%0.47136%0.358SS..Iπ-helixtrans-116.1-12-171.900000115.2H129 D135H129-A133 CarbonylContact O-C 3.58Å; H129-A133 PolarHBondContact O-N 2.74Å; A133-D135 PolarHBondContact O-N 3.37Å
134C92.6Very high89.1Confident0 Ų075.1 Ų75.10%038%0.378CS..  trans-73.6117-174.8-175.10000111.1H114 H129 A136 R137 H152H114-C134 PolarHBondContact ND1-SG 2.73Å; H129-C134 WeakPolarHBondContact NE2-CB 3.31Å; H129-C134 PolarHBondContact NE2-SG 3.26Å; H129-C134 VanDerWaalsContact NE2-SG 3.38Å; H129-C134 WeakPolarHBondContact O-CB 3.2Å; H129-C134 PolarHBondContact O-N 3.08Å; C134-A136 VanDerWaalsContact C-N 3.32Å; C134-A136 PolarHBondContact O-N 3.46Å; C134-R137 HydrophobicContact CB-CB 4.17Å; C134-R137 WeakPolarHBondContact O-CB 3.41Å; C134-R137 PolarHBondContact O-N 3.31Å; C134-H152 WeakPolarHBondContact O-CB 3.33Å; C134-H152 PolarHBondContact O-ND1 2.61Å; C134-H152 VanDerWaalsContact O-ND1 3.15Å
135D88.9Confident88.4Confident70 Ų7072.4 Ų72.437%0.37439%0.39SS..THydrogen-bonded Turntrans-72.8-25.2177.8-68-26.4000112.6A133 R137 T151 H152 G153 R156A133-D135 PolarHBondContact O-N 3.37Å; D135-R137 VanDerWaalsContact C-N 3.25Å; D135-R137 PolarHBondContact O-N 3.38Å; D135-T151 WeakPolarHBondContact O-CB 3.29Å; D135-H152 CarbonylContact O-C 3.56Å; D135-H152 PolarHBondContact O-N 2.96Å; D135-G153 PolarHBondContact O-N 3.04Å; D135-R156 IonicContact OD1-CZ 3.3Å; D135-R156 VanDerWaalsContact OD1-CZ 3.3Å; D135-R156 IonicContact OD1-NH1 2.67Å; D135-R156 PolarHBondContact OD1-NH1 3.12Å; D135-R156 IonicContact OD1-NH2 3.42Å; D135-R156 PolarHBondContact OD1-NH2 3.48Å; D135-R156 IonicContact OD2-NH1 3.57Å
136A88.6Confident88.1Confident17 Ų1769.9 Ų69.914%0.1438%0.38CS..THydrogen-bonded Turntrans-81.72.7172.200000113.9H114 C117 C134H114-A136 HydrophobicContact CB-CB 4.09Å; C117-A136 HydrophobicContact CB-CB 3.78Å; C134-A136 VanDerWaalsContact C-N 3.32Å; C134-A136 PolarHBondContact O-N 3.46Å
137R90.3Very high87.8Confident69 Ų6971.1 Ų71.126%0.2639%0.394SS..  trans-59.5128.4175176.6-18069.4145.93.3109.5M130 R131 C134 D135 V139 T151 H152M130-R137 WeakPolarHBondContact O-CD 3.45Å; R131-R137 WeakPolarHBondContact O-CD 3.31Å; R131-R137 VanDerWaalsContact O-CZ 3.26Å; R131-R137 PolarHBondContact O-NE 2.99Å; R131-R137 PolarHBondContact O-NH1 2.81Å; C134-R137 HydrophobicContact CB-CB 4.17Å; C134-R137 WeakPolarHBondContact O-CB 3.41Å; C134-R137 PolarHBondContact O-N 3.31Å; D135-R137 VanDerWaalsContact C-N 3.25Å; D135-R137 PolarHBondContact O-N 3.38Å; R137-V139 HydrophobicContact CG-CG2 4.44Å; R137-V139 WeakPolarHBondContact O-CG2 3.47Å; R137-T151 CarbonylContact O-C 3.56Å; R137-T151 WeakPolarHBondContact O-CA 3.22Å; R137-H152 HydrophobicContact CB-CB 4.08Å; R137-H152 PolarHBondContact NH2-CD2 3.14Å; R137-H152 VanDerWaalsContact NH2-CD2 3.27Å; R137-H152 PolarHBondContact NH2-CE1 2.96Å; R137-H152 PolarHBondContact NH2-NE2 2.97Å; R137-H152 WeakPolarHBondContact O-CB 3.43Å; R137-H152 PolarHBondContact O-N 3.44Å
138P86.9Confident87.5Confident81 Ų8167 Ų6753%0.52638%0.376SS..EExtended strand (participates in β ladder)trans-70.8129.1171.729.1-32.9000109.9L150P138-L150 WeakPolarHBondContact CA-O 3.48Å
139V87.3Confident87.3Confident61 Ų6168.9 Ų68.937%0.3738%0.384SS..EExtended strand (participates in β ladder)trans-118.4-14.2-177.6-164.60000113R137 L150 H152R137-V139 HydrophobicContact CG-CG2 4.44Å; R137-V139 WeakPolarHBondContact O-CG2 3.47Å; V139-L150 PolarHBondContact N-O 3.48Å; V139-H152 HydrophobicContact CG2-CB 3.52Å
140G85.6Confident87Confident39 Ų3969.5 Ų69.540%0.40239%0.388SS..EExtended strand (participates in β ladder)trans177.7-161.7176.200000112P149 L150G140-P149 CarbonylContact O-C 3.56Å; G140-P149 VanDerWaalsContact O-CA 3.3Å; G140-P149 WeakPolarHBondContact O-CA 3.33Å; G140-L150 PolarHBondContact O-N 2.99Å
141R88.6Confident86.8Confident177 Ų17769.8 Ų69.867%0.66839%0.392SS*.EExtended strand (participates in β ladder)trans-112.4151.9166.8-71.2179178-91.65.3109.8Q143 G147 L148R141-Q143 PolarHBondContact O-N 3.47Å; R141-G147 WeakPolarHBondContact CD-O 3.39Å; R141-G147 WeakPolarHBondContact CG-O 3.34Å; R141-G147 PolarHBondContact NH1-O 3.2Å; R141-L148 CarbonylContact C-O 3.59Å; R141-L148 VanDerWaalsContact CA-O 3.3Å; R141-L148 WeakPolarHBondContact CA-O 3.24Å
142C87.4Confident86.7Confident9 Ų964.9 Ų64.96%0.06138%0.375CS..  trans-65.7119.3174.2-176.60000110.6E144 C146 G147 L148 L150 H160 C162C142-E144 PolarHBondContact SG-N 3.09Å; C142-E144 VanDerWaalsContact SG-N 3.44Å; C142-C146 WeakPolarHBondContact CB-SG 3.3Å; C142-G147 PolarHBondContact O-N 3.34Å; C142-L148 PolarHBondContact N-O 3.44Å; C142-L150 HydrophobicContact CB-CD1 4.41Å; C142-L150 HydrophobicContact CB-CD2 3.87Å; C142-L150 HydrophobicContact CB-CG 4.1Å; C142-H160 VanDerWaalsContact SG-CD2 3.58Å; C142-C162 PolarHBondContact SG-SG 3.3Å
143Q83.3Confident86.6Confident192 Ų19260.8 Ų60.890%0.89736%0.358SS*.THydrogen-bonded Turntrans-83.2-19.9175.2-60.8-178.97.800111.9R141 G145R141-Q143 PolarHBondContact O-N 3.47Å; Q143-G145 PolarHBondContact O-N 3.16Å
144E77.7Confident86.5Confident160 Ų16060.2 Ų60.275%0.74835%0.345SS*.THydrogen-bonded Turntrans-81.734.6178.9-55.5-175.8159.900113C142 C162C142-E144 PolarHBondContact SG-N 3.09Å; C142-E144 VanDerWaalsContact SG-N 3.44Å; E144-C162 PolarHBondContact O-SG 3.44Å
145G79.7Confident86Confident73 Ų7365.3 Ų65.375%0.75337%0.369SS*.THydrogen-bonded Turntrans106.1-21.1161.400000117.9Q143Q143-G145 PolarHBondContact O-N 3.16Å
146C86.4Confident85.6Confident15 Ų1569.1 Ų69.110%0.10138%0.378CS..THydrogen-bonded Turntrans-89.2-19.1-176.584.60000115.3C142 L148 H160 C162 L166C142-C146 WeakPolarHBondContact CB-SG 3.3Å; C146-L148 PolarHBondContact O-N 3.4Å; C146-H160 PolarHBondContact SG-NE2 2.97Å; C146-C162 HydrophobicContact CB-CB 3.84Å; C146-L166 HydrophobicContact CB-CD1 3.78Å; C146-L166 HydrophobicContact CB-CD2 4.06Å; C146-L166 HydrophobicContact CB-CG 3.78Å
147G85.6Confident85.3Confident33 Ų3372.1 Ų72.134%0.3440%0.403SS..  trans64.7-5.1179.400000116.6R141 C142R141-G147 WeakPolarHBondContact CD-O 3.39Å; R141-G147 WeakPolarHBondContact CG-O 3.34Å; R141-G147 PolarHBondContact NH1-O 3.2Å; C142-G147 PolarHBondContact O-N 3.34Å
148L86.8Confident84.4Confident24 Ų2472.4 Ų72.413%0.12643%0.427CS..PPolyproline II helixtrans-66.8153.4178.2-65.3175.8000111.4R141 C142 C146 L150 A165 L166 H169R141-L148 CarbonylContact C-O 3.59Å; R141-L148 VanDerWaalsContact CA-O 3.3Å; R141-L148 WeakPolarHBondContact CA-O 3.24Å; C142-L148 PolarHBondContact N-O 3.44Å; C146-L148 PolarHBondContact O-N 3.4Å; L148-L150 PolarHBondContact O-N 3.38Å; L148-A165 HydrophobicContact CD1-CB 3.71Å; L148-L166 HydrophobicContact CD1-CD2 4.02Å; L148-L166 HydrophobicContact CD1-CG 4.3Å; L148-L166 HydrophobicContact CG-CD2 4.31Å; L148-H169 HydrophobicContact CD1-CB 4.07Å; L148-H169 HydrophobicContact CD2-CB 4.26Å
149P87.3Confident83.7Confident81 Ų8170.6 Ų70.653%0.52642%0.424SS..EExtended strand (participates in β ladder)trans-63.6131.2174.527.3-34.5000111G140G140-P149 CarbonylContact O-C 3.56Å; G140-P149 VanDerWaalsContact O-CA 3.3Å; G140-P149 WeakPolarHBondContact O-CA 3.33Å
150L87.8Confident83.6Confident29 Ų2969.1 Ų69.115%0.15241%0.412CS..EExtended strand (participates in β ladder)trans-89.1135.2174.5-68.3-178.5000110.8P138 V139 G140 C142 L148 H160P138-L150 WeakPolarHBondContact CA-O 3.48Å; V139-L150 PolarHBondContact N-O 3.48Å; G140-L150 PolarHBondContact O-N 2.99Å; C142-L150 HydrophobicContact CB-CD1 4.41Å; C142-L150 HydrophobicContact CB-CD2 3.87Å; C142-L150 HydrophobicContact CB-CG 4.1Å; L148-L150 PolarHBondContact O-N 3.38Å; L150-H160 HydrophobicContact CD2-CB 3.7Å; L150-H160 VanDerWaalsContact CD2-ND1 3.26Å; L150-H160 WeakPolarHBondContact CD2-ND1 3.47Å
151T88.5Confident83.7Confident42 Ų4270 Ų7026%0.25841%0.412SS..EExtended strand (participates in β ladder)trans-82.5151.4169.166.40000111.6D135 R137 G153 E154 Q155D135-T151 WeakPolarHBondContact O-CB 3.29Å; R137-T151 CarbonylContact O-C 3.56Å; R137-T151 WeakPolarHBondContact O-CA 3.22Å; T151-G153 PolarHBondContact O-N 2.84Å; T151-E154 WeakPolarHBondContact CB-OE2 3.34Å; T151-E154 PolarHBondContact N-OE2 2.94Å; T151-E154 PolarHBondContact O-N 2.99Å; T151-E154 VanDerWaalsContact OG1-CG 3.26Å; T151-E154 WeakPolarHBondContact OG1-CG 3.37Å; T151-E154 PolarHBondContact OG1-N 3.23Å; T151-E154 PolarHBondContact OG1-OE2 2.86Å; T151-Q155 PolarHBondContact O-N 3.02Å
152H86.9Confident83.6Confident26 Ų2662.9 Ų62.912%0.1239%0.389CS..Hα-helixtrans-58-33.7178.3-176-148000112.8C134 D135 R137 V139 R156C134-H152 WeakPolarHBondContact O-CB 3.33Å; C134-H152 PolarHBondContact O-ND1 2.61Å; C134-H152 VanDerWaalsContact O-ND1 3.15Å; D135-H152 CarbonylContact O-C 3.56Å; D135-H152 PolarHBondContact O-N 2.96Å; R137-H152 HydrophobicContact CB-CB 4.08Å; R137-H152 PolarHBondContact NH2-CD2 3.14Å; R137-H152 VanDerWaalsContact NH2-CD2 3.27Å; R137-H152 PolarHBondContact NH2-CE1 2.96Å; R137-H152 PolarHBondContact NH2-NE2 2.97Å; R137-H152 WeakPolarHBondContact O-CB 3.43Å; R137-H152 PolarHBondContact O-N 3.44Å; V139-H152 HydrophobicContact CG2-CB 3.52Å; H152-R156 PolarHBondContact CE1-NH2 2.95Å; H152-R156 VanDerWaalsContact O-CB 3.29Å; H152-R156 WeakPolarHBondContact O-CB 3.32Å; H152-R156 PolarHBondContact O-N 3.47Å
153G85.1Confident83.6Confident21 Ų2165 Ų6522%0.21641%0.407CS..Hα-helixtrans-67.1-45.4174.600000112.8D135 T151 Q155 R156 A157D135-G153 PolarHBondContact O-N 3.04Å; T151-G153 PolarHBondContact O-N 2.84Å; G153-Q155 VanDerWaalsContact C-N 3.33Å; G153-Q155 PolarHBondContact O-N 2.85Å; G153-R156 PolarHBondContact O-N 2.94Å; G153-A157 WeakPolarHBondContact O-CB 3.42Å; G153-A157 PolarHBondContact O-N 3.12Å
154E84.8Confident83.8Confident45 Ų4563.5 Ų63.521%0.2139%0.393CS..Hα-helixtrans-62.4-40.5174.9-70.7167.9107.900112T151 A157 G158 G159 H160T151-E154 WeakPolarHBondContact CB-OE2 3.34Å; T151-E154 PolarHBondContact N-OE2 2.94Å; T151-E154 PolarHBondContact O-N 2.99Å; T151-E154 VanDerWaalsContact OG1-CG 3.26Å; T151-E154 WeakPolarHBondContact OG1-CG 3.37Å; T151-E154 PolarHBondContact OG1-N 3.23Å; T151-E154 PolarHBondContact OG1-OE2 2.86Å; E154-A157 PolarHBondContact O-N 2.91Å; E154-G158 PolarHBondContact O-N 2.88Å; E154-G159 PolarHBondContact O-N 2.76Å; E154-H160 IonicContact OE1-CE1 3.54Å; E154-H160 IonicContact OE1-CG 3.86Å; E154-H160 IonicContact OE1-ND1 2.75Å; E154-H160 PolarHBondContact OE1-ND1 2.63Å
155Q82.6Confident84.2Confident107 Ų10756.9 Ų56.950%0.537%0.366SS..Hα-helixtrans-67.6-44.4177.2-168-178.219.700111.7T151 G153 A157 G158T151-Q155 PolarHBondContact O-N 3.02Å; G153-Q155 VanDerWaalsContact C-N 3.33Å; G153-Q155 PolarHBondContact O-N 2.85Å; Q155-A157 VanDerWaalsContact C-N 3.32Å; Q155-A157 PolarHBondContact O-N 2.8Å; Q155-G158 PolarHBondContact O-N 3.21Å; Q155-G158 VanDerWaalsContact O-N 3.16Å
156R81.5Confident84.6Confident151 Ų15156.5 Ų56.557%0.5735%0.346SS*.Hα-helixtrans-64.2-36.4175.5-174.3-170.7-68.4146.44.4112D135 H152 G153 G158D135-R156 IonicContact OD1-CZ 3.3Å; D135-R156 VanDerWaalsContact OD1-CZ 3.3Å; D135-R156 IonicContact OD1-NH1 2.67Å; D135-R156 PolarHBondContact OD1-NH1 3.12Å; D135-R156 IonicContact OD1-NH2 3.42Å; D135-R156 PolarHBondContact OD1-NH2 3.48Å; D135-R156 IonicContact OD2-NH1 3.57Å; H152-R156 PolarHBondContact CE1-NH2 2.95Å; H152-R156 VanDerWaalsContact O-CB 3.29Å; H152-R156 WeakPolarHBondContact O-CB 3.32Å; H152-R156 PolarHBondContact O-N 3.47Å; G153-R156 PolarHBondContact O-N 2.94Å; R156-G158 PolarHBondContact O-N 3.41Å
157A80.9Confident84.8Confident80 Ų8064.6 Ų64.666%0.66138%0.375SS*.THydrogen-bonded Turntrans-75.1-7.1176.500000113.7G153 E154 Q155 G159G153-A157 WeakPolarHBondContact O-CB 3.42Å; G153-A157 PolarHBondContact O-N 3.12Å; E154-A157 PolarHBondContact O-N 2.91Å; Q155-A157 VanDerWaalsContact C-N 3.32Å; Q155-A157 PolarHBondContact O-N 2.8Å; A157-G159 PolarHBondContact O-N 3.14Å
158G72.8Confident84.9Confident74 Ų7466.2 Ų66.276%0.76339%0.385SS*.THydrogen-bonded Turntrans61.426.2179.200000114.1E154 Q155 R156E154-G158 PolarHBondContact O-N 2.88Å; Q155-G158 PolarHBondContact O-N 3.21Å; Q155-G158 VanDerWaalsContact O-N 3.16Å; R156-G158 PolarHBondContact O-N 3.41Å
159G71.4Confident85Confident44 Ų4469.1 Ų69.145%0.45440%0.398SS..  trans-151.960.1-16100000114.8E154 A157E154-G159 PolarHBondContact O-N 2.76Å; A157-G159 PolarHBondContact O-N 3.14Å
160H85.4Confident85.2Confident29 Ų2969.3 Ų69.313%0.13439%0.394CS..  trans-80.8124.5168178.280.8000110.9C142 C146 L150 E154 A165C142-H160 VanDerWaalsContact SG-CD2 3.58Å; C146-H160 PolarHBondContact SG-NE2 2.97Å; L150-H160 HydrophobicContact CD2-CB 3.7Å; L150-H160 VanDerWaalsContact CD2-ND1 3.26Å; L150-H160 WeakPolarHBondContact CD2-ND1 3.47Å; E154-H160 IonicContact OE1-CE1 3.54Å; E154-H160 IonicContact OE1-CG 3.86Å; E154-H160 IonicContact OE1-ND1 2.75Å; E154-H160 PolarHBondContact OE1-ND1 2.63Å; H160-A165 WeakPolarHBondContact CE1-CB 3.38Å
161C87.1Confident85.4Confident59 Ų5969.4 Ų69.440%0.39940%0.403SS..  trans-100.597.9175.7-178.10000110.5A163 R164 A165C161-A163 VanDerWaalsContact C-N 3.26Å; C161-A163 PolarHBondContact O-N 2.91Å; C161-R164 HydrophobicContact CB-CB 3.94Å; C161-R164 PolarHBondContact O-N 2.82Å; C161-A165 PolarHBondContact O-N 2.74Å
162C87.6Confident85.5Confident27 Ų2770.2 Ų70.218%0.18241%0.414CS..Hα-helixtrans-46.4-47.4177.8-68.50000112.7C142 E144 C146 R164 A165 L166C142-C162 PolarHBondContact SG-SG 3.3Å; E144-C162 PolarHBondContact O-SG 3.44Å; C146-C162 HydrophobicContact CB-CB 3.84Å; C162-R164 VanDerWaalsContact C-N 3.31Å; C162-R164 PolarHBondContact O-N 3.02Å; C162-A165 PolarHBondContact O-N 2.7Å; C162-L166 WeakPolarHBondContact O-CB 3.36Å; C162-L166 WeakPolarHBondContact O-CG 3.33Å; C162-L166 PolarHBondContact O-N 2.97Å
163A87.5Confident85.8Confident54 Ų5472.3 Ų72.345%0.44643%0.425SS..Hα-helixtrans-69.6-21-179.200000114.3C161 R167C161-A163 VanDerWaalsContact C-N 3.26Å; C161-A163 PolarHBondContact O-N 2.91Å; A163-R167 WeakPolarHBondContact O-CG 3.23Å; A163-R167 PolarHBondContact O-NE 3.33Å
164R86.3Confident86.3Confident160 Ų16077.7 Ų77.760%0.60445%0.445SS*.Hα-helixtrans-83.7-44.8171.5-173.3175.667.9-169.2-0.9110.5C161 C162 R167 A168C161-R164 HydrophobicContact CB-CB 3.94Å; C161-R164 PolarHBondContact O-N 2.82Å; C162-R164 VanDerWaalsContact C-N 3.31Å; C162-R164 PolarHBondContact O-N 3.02Å; R164-R167 PolarHBondContact O-N 2.89Å; R164-A168 WeakPolarHBondContact O-CB 3.42Å; R164-A168 PolarHBondContact O-N 2.91Å
165A86.1Confident86.7Confident20 Ų2078.8 Ų78.817%0.16546%0.462CS..Hα-helixtrans-63.9-43.618000000112.3L148 H160 C161 C162 R167 A168 H169L148-A165 HydrophobicContact CD1-CB 3.71Å; H160-A165 WeakPolarHBondContact CE1-CB 3.38Å; C161-A165 PolarHBondContact O-N 2.74Å; C162-A165 PolarHBondContact O-N 2.7Å; A165-R167 PolarHBondContact O-N 2.66Å; A165-A168 PolarHBondContact O-N 2.86Å; A165-H169 VanDerWaalsContact O-CB 3.31Å; A165-H169 WeakPolarHBondContact O-CB 3.45Å; A165-H169 PolarHBondContact O-N 3.26Å
166L89.3Confident87.3Confident66 Ų6681.9 Ų81.935%0.34647%0.468SS..Hα-helixtrans-65.3-37.1175.5-71.9167.7000112.7C146 L148 C162 H169 N170C146-L166 HydrophobicContact CB-CD1 3.78Å; C146-L166 HydrophobicContact CB-CD2 4.06Å; C146-L166 HydrophobicContact CB-CG 3.78Å; L148-L166 HydrophobicContact CD1-CD2 4.02Å; L148-L166 HydrophobicContact CD1-CG 4.3Å; L148-L166 HydrophobicContact CG-CD2 4.31Å; C162-L166 WeakPolarHBondContact O-CB 3.36Å; C162-L166 WeakPolarHBondContact O-CG 3.33Å; C162-L166 PolarHBondContact O-N 2.97Å; L166-H169 PolarHBondContact O-N 3.28Å; L166-N170 WeakPolarHBondContact O-CB 3.38Å; L166-N170 PolarHBondContact O-N 2.85Å; L166-N170 PolarHBondContact O-ND2 2.66Å
167R90.6Very high88Confident184 Ų18480.2 Ų80.269%0.69447%0.47SS*.Hα-helixtrans-67.3-43.9174.5-81.4-175.8-75.1-176.3-4.2111.8A163 R164 A165 H169 N170 G171A163-R167 WeakPolarHBondContact O-CG 3.23Å; A163-R167 PolarHBondContact O-NE 3.33Å; R164-R167 PolarHBondContact O-N 2.89Å; A165-R167 PolarHBondContact O-N 2.66Å; R167-H169 PolarHBondContact O-N 3.27Å; R167-N170 PolarHBondContact O-N 2.73Å; R167-G171 PolarHBondContact O-N 2.87Å
168A87.3Confident88.8Confident67 Ų6778.1 Ų78.155%0.55446%0.456SS*.Hα-helixtrans-62.8-40.8174.500000112.3R164 A165 G171 A172R164-A168 WeakPolarHBondContact O-CB 3.42Å; R164-A168 PolarHBondContact O-N 2.91Å; A165-A168 PolarHBondContact O-N 2.86Å; A168-G171 PolarHBondContact O-N 2.94Å; A168-A172 WeakPolarHBondContact O-CB 3.41Å; A168-A172 PolarHBondContact O-N 3.15Å
169H88.2Confident89.9Confident85 Ų8577.3 Ų77.339%0.39444%0.443SS..Hα-helixtrans-66.5-45177.6-169.664.1000112.1L148 A165 L166 R167 A172 L173L148-H169 HydrophobicContact CD1-CB 4.07Å; L148-H169 HydrophobicContact CD2-CB 4.26Å; A165-H169 VanDerWaalsContact O-CB 3.31Å; A165-H169 WeakPolarHBondContact O-CB 3.45Å; A165-H169 PolarHBondContact O-N 3.26Å; L166-H169 PolarHBondContact O-N 3.28Å; R167-H169 PolarHBondContact O-N 3.27Å; H169-A172 PolarHBondContact O-N 3.01Å; H169-L173 WeakPolarHBondContact O-CG 3.44Å; H169-L173 PolarHBondContact O-N 3.43Å
170N91Very high91.1Very high85 Ų8579.9 Ų79.946%0.45545%0.445SS..Hα-helixtrans-62.6-42.2174.6-80.5-65000112.1L166 R167 A172 L173 Q174L166-N170 WeakPolarHBondContact O-CB 3.38Å; L166-N170 PolarHBondContact O-N 2.85Å; L166-N170 PolarHBondContact O-ND2 2.66Å; R167-N170 PolarHBondContact O-N 2.73Å; N170-A172 VanDerWaalsContact C-N 3.34Å; N170-A172 PolarHBondContact O-N 3.38Å; N170-L173 PolarHBondContact O-N 3.44Å; N170-Q174 WeakPolarHBondContact O-CB 3.4Å; N170-Q174 VanDerWaalsContact O-CG 3.32Å; N170-Q174 WeakPolarHBondContact O-CG 3.47Å; N170-Q174 PolarHBondContact O-N 2.95Å
171G93Very high91.6Very high32 Ų3284.5 Ų84.533%0.3347%0.467SS..Hα-helixtrans-60.5-40.717400000112.8R167 A168 Q174 A175R167-G171 PolarHBondContact O-N 2.87Å; A168-G171 PolarHBondContact O-N 2.94Å; G171-Q174 PolarHBondContact O-N 2.92Å; G171-A175 WeakPolarHBondContact O-CB 3.28Å; G171-A175 PolarHBondContact O-N 3.37Å
172A89.9Confident92.1Very high59 Ų5989.1 Ų89.149%0.48848%0.48SS..Hα-helixtrans-66.8-37.5174.500000112.8A168 H169 N170 R176A168-A172 WeakPolarHBondContact O-CB 3.41Å; A168-A172 PolarHBondContact O-N 3.15Å; H169-A172 PolarHBondContact O-N 3.01Å; N170-A172 VanDerWaalsContact C-N 3.34Å; N170-A172 PolarHBondContact O-N 3.38Å; A172-R176 WeakPolarHBondContact O-CB 3.46Å; A172-R176 PolarHBondContact O-N 3.45Å
173L92.9Very high92.5Very high70 Ų7090.3 Ų90.337%0.36649%0.492SS..Hα-helixtrans-66.9-44173.5-71.2175000111.7H169 N170 R176 L177H169-L173 WeakPolarHBondContact O-CG 3.44Å; H169-L173 PolarHBondContact O-N 3.43Å; N170-L173 PolarHBondContact O-N 3.44Å; L173-R176 PolarHBondContact O-N 3.38Å; L173-L177 WeakPolarHBondContact O-CB 3.41Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 3.11Å
174Q95.6Very high92.9Very high134 Ų13493 Ų9363%0.62650%0.498SS*.Hα-helixtrans-61-44.9175.1-74.3171.4-23.800111.6N170 G171 R176 L177 G178N170-Q174 WeakPolarHBondContact O-CB 3.4Å; N170-Q174 VanDerWaalsContact O-CG 3.32Å; N170-Q174 WeakPolarHBondContact O-CG 3.47Å; N170-Q174 PolarHBondContact O-N 2.95Å; G171-Q174 PolarHBondContact O-N 2.92Å; Q174-R176 VanDerWaalsContact C-N 3.34Å; Q174-R176 PolarHBondContact O-N 2.86Å; Q174-L177 PolarHBondContact O-N 2.84Å; Q174-G178 PolarHBondContact O-N 2.87Å
175A94.1Very high93.5Very high68 Ų6891.8 Ų91.856%0.56250%0.497SS*.Hα-helixtrans-61.1-41.5174.400000112.1G171 G178 A179G171-A175 WeakPolarHBondContact O-CB 3.28Å; G171-A175 PolarHBondContact O-N 3.37Å; A175-G178 PolarHBondContact O-N 3.11Å; A175-A179 WeakPolarHBondContact O-CB 3.31Å; A175-A179 PolarHBondContact O-N 2.93Å
176R95.4Very high94Very high171 Ų17198 Ų9865%0.64552%0.52SS*.Hα-helixtrans-65.7-41.1175.6-173.8177.7-179.8-172.8-0.6112.4A172 L173 Q174 A179 L180A172-R176 WeakPolarHBondContact O-CB 3.46Å; A172-R176 PolarHBondContact O-N 3.45Å; L173-R176 PolarHBondContact O-N 3.38Å; Q174-R176 VanDerWaalsContact C-N 3.34Å; Q174-R176 PolarHBondContact O-N 2.86Å; R176-A179 PolarHBondContact O-N 3.44Å; R176-L180 HydrophobicContact CG-CD1 4.18Å; R176-L180 WeakPolarHBondContact O-CB 2.98Å; R176-L180 WeakPolarHBondContact O-CG 3.39Å; R176-L180 PolarHBondContact O-N 3.44Å
177L96.6Very high94.3Very high117 Ų117101.4 Ų101.461%0.61354%0.535SS*.Hα-helixtrans-63.4-43.7174.6-72.9169.1000111.1L173 Q174 A179 L180 H181L173-L177 WeakPolarHBondContact O-CB 3.41Å; L173-L177 WeakPolarHBondContact O-CG 3.42Å; L173-L177 PolarHBondContact O-N 3.11Å; Q174-L177 PolarHBondContact O-N 2.84Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-A179 PolarHBondContact O-N 3.41Å; L177-L180 PolarHBondContact O-N 2.98Å; L177-H181 WeakPolarHBondContact O-CB 3.44Å; L177-H181 PolarHBondContact O-N 3.12Å
178G96.4Very high94.5Very high35 Ų3595.6 Ų95.636%0.36153%0.526SS..Hα-helixtrans-61.9-38.4173.900000113.2Q174 A175 K182Q174-G178 PolarHBondContact O-N 2.87Å; A175-G178 PolarHBondContact O-N 3.11Å; G178-K182 WeakPolarHBondContact O-CB 3.21Å; G178-K182 VanDerWaalsContact O-CG 3.32Å; G178-K182 WeakPolarHBondContact O-CG 3.18Å; G178-K182 PolarHBondContact O-N 3.22Å
179A95.5Very high95Very high58 Ų5897.7 Ų97.748%0.47953%0.527SS..Hα-helixtrans-66.8-44.5174.200000112.3A175 R176 L177 K182 A183A175-A179 WeakPolarHBondContact O-CB 3.31Å; A175-A179 PolarHBondContact O-N 2.93Å; R176-A179 PolarHBondContact O-N 3.44Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-A179 PolarHBondContact O-N 3.41Å; A179-K182 PolarHBondContact O-N 3.2Å; A179-A183 PolarHBondContact O-N 3.07Å
180L96.7Very high95.4Very high97 Ų97103 Ų10351%0.50854%0.544SS..Hα-helixtrans-64-41176.1-73169.4000112R176 L177 A183 L184R176-L180 HydrophobicContact CG-CD1 4.18Å; R176-L180 WeakPolarHBondContact O-CB 2.98Å; R176-L180 WeakPolarHBondContact O-CG 3.39Å; R176-L180 PolarHBondContact O-N 3.44Å; L177-L180 PolarHBondContact O-N 2.98Å; L180-A183 PolarHBondContact O-N 3.01Å; L180-L184 WeakPolarHBondContact O-CB 3.31Å; L180-L184 PolarHBondContact O-N 2.83Å
181H97.4Very high95.5Very high127 Ų127101.8 Ų101.859%0.58855%0.545SS*.Hα-helixtrans-65-39.3175.5-17482000111.9L177 K185L177-H181 WeakPolarHBondContact O-CB 3.44Å; L177-H181 PolarHBondContact O-N 3.12Å; H181-K185 WeakPolarHBondContact O-CB 3.41Å; H181-K185 PolarHBondContact O-N 2.91Å
182K96.9Very high95.7Very high156 Ų156101.3 Ų101.368%0.67854%0.541SS*.Hα-helixtrans-63.5-40171.4-76176.3179.1-175.60112.4G178 A179 K186G178-K182 WeakPolarHBondContact O-CB 3.21Å; G178-K182 VanDerWaalsContact O-CG 3.32Å; G178-K182 WeakPolarHBondContact O-CG 3.18Å; G178-K182 PolarHBondContact O-N 3.22Å; A179-K182 PolarHBondContact O-N 3.2Å; K182-K186 WeakPolarHBondContact O-CG 3.42Å; K182-K186 PolarHBondContact O-N 2.85Å
183A95.8Very high96.1Very high51 Ų51106.3 Ų106.342%0.42155%0.551SS.*Hα-helixtrans-64.1-50175.600000111.6A179 L180 K185 K186 E187A179-A183 PolarHBondContact O-N 3.07Å; L180-A183 PolarHBondContact O-N 3.01Å; A183-K185 VanDerWaalsContact C-N 3.29Å; A183-K185 PolarHBondContact O-N 2.9Å; A183-K186 WeakPolarHBondContact O-CA 3.24Å; A183-K186 WeakPolarHBondContact O-CB 3.45Å; A183-K186 PolarHBondContact O-N 3.34Å; A183-E187 PolarHBondContact O-N 2.98Å
184L96.9Very high96.3Very high112 Ų112111.6 Ų111.659%0.58657%0.566SS**Hα-helixtrans-60.1-37.5176.9-175.4147.9000112L180 E187 A188L180-L184 WeakPolarHBondContact O-CB 3.31Å; L180-L184 PolarHBondContact O-N 2.83Å; L184-E187 PolarHBondContact O-N 2.87Å; L184-A188 WeakPolarHBondContact O-CB 3.47Å; L184-A188 PolarHBondContact O-N 3.02Å
185K97.3Very high96.4Very high133 Ų133111.5 Ų111.558%0.57857%0.566SS**Hα-helixtrans-66.2-38.9173-171.4169.5-177172.40112.6H181 A183 E187 L189H181-K185 WeakPolarHBondContact O-CB 3.41Å; H181-K185 PolarHBondContact O-N 2.91Å; A183-K185 VanDerWaalsContact C-N 3.29Å; A183-K185 PolarHBondContact O-N 2.9Å; K185-E187 VanDerWaalsContact C-N 3.34Å; K185-L189 HydrophobicContact CG-CD1 4.42Å; K185-L189 WeakPolarHBondContact O-CB 3.47Å; K185-L189 WeakPolarHBondContact O-CD1 3.22Å; K185-L189 VanDerWaalsContact O-CG 3.27Å; K185-L189 WeakPolarHBondContact O-CG 3.23Å; K185-L189 PolarHBondContact O-N 3.31Å; K185-L189 VanDerWaalsContact O-N 3.12Å
186K96.9Very high96.5Very high150 Ų150116.1 Ų116.165%0.65257%0.573SS**Hα-helixtrans-63.9-39.7172-75.7-175.2175.4-1690111.6K182 A183 L189 R190K182-K186 WeakPolarHBondContact O-CG 3.42Å; K182-K186 PolarHBondContact O-N 2.85Å; A183-K186 WeakPolarHBondContact O-CA 3.24Å; A183-K186 WeakPolarHBondContact O-CB 3.45Å; A183-K186 PolarHBondContact O-N 3.34Å; K186-L189 PolarHBondContact O-N 3.26Å; K186-R190 WeakPolarHBondContact O-CG 3.47Å; K186-R190 PolarHBondContact O-N 3.21Å
187E95.2Very high96.5Very high139 Ų139111 Ų11165%0.6556%0.563SS**Hα-helixtrans-69.9-44.5-180-171162.7-148.600112.2A183 L184 K185 L189 R190 A191A183-E187 PolarHBondContact O-N 2.98Å; L184-E187 PolarHBondContact O-N 2.87Å; K185-E187 VanDerWaalsContact C-N 3.34Å; E187-L189 VanDerWaalsContact C-N 3.31Å; E187-L189 PolarHBondContact O-N 3.39Å; E187-R190 WeakPolarHBondContact O-CB 3.27Å; E187-R190 PolarHBondContact O-N 3.46Å; E187-R190 VanDerWaalsContact O-N 3.09Å; E187-A191 PolarHBondContact O-N 3.35Å
188A96.4Very high96.6Very high61 Ų61109.1 Ų109.150%0.50455%0.554SS.*Hα-helixtrans-59.4-39.2172.500000112.4L184 A191 G192L184-A188 WeakPolarHBondContact O-CB 3.47Å; L184-A188 PolarHBondContact O-N 3.02Å; A188-A191 PolarHBondContact O-N 2.88Å; A188-G192 PolarHBondContact O-N 2.91Å
189L96.7Very high96.6Very high112 Ų112111.8 Ų111.859%0.58656%0.563SS**Hα-helixtrans-66.6-36.1173.8-74.2168.3000112.7K185 K186 E187 K193K185-L189 HydrophobicContact CG-CD1 4.42Å; K185-L189 WeakPolarHBondContact O-CB 3.47Å; K185-L189 WeakPolarHBondContact O-CD1 3.22Å; K185-L189 VanDerWaalsContact O-CG 3.27Å; K185-L189 WeakPolarHBondContact O-CG 3.23Å; K185-L189 PolarHBondContact O-N 3.31Å; K185-L189 VanDerWaalsContact O-N 3.12Å; K186-L189 PolarHBondContact O-N 3.26Å; E187-L189 VanDerWaalsContact C-N 3.31Å; E187-L189 PolarHBondContact O-N 3.39Å; L189-K193 WeakPolarHBondContact O-CG 3.37Å; L189-K193 PolarHBondContact O-N 3.42Å; L189-K193 VanDerWaalsContact O-N 3.08Å
190R96.6Very high96.6Very high197 Ų197111.9 Ų111.974%0.74356%0.564SS**Hα-helixtrans-66.8-43.2172.6-75.1172.6169.7-174-6.1111.3K186 E187 K193 R194K186-R190 WeakPolarHBondContact O-CG 3.47Å; K186-R190 PolarHBondContact O-N 3.21Å; E187-R190 WeakPolarHBondContact O-CB 3.27Å; E187-R190 PolarHBondContact O-N 3.46Å; E187-R190 VanDerWaalsContact O-N 3.09Å; R190-K193 PolarHBondContact O-N 2.96Å; R190-R194 PolarHBondContact O-N 3.34Å
191A94Very high96.6Very high58 Ų58113 Ų11348%0.47957%0.566SS.*Hα-helixtrans-60.5-50.917600000111.6E187 A188 K193 R194 E195E187-A191 PolarHBondContact O-N 3.35Å; A188-A191 PolarHBondContact O-N 2.88Å; A191-K193 VanDerWaalsContact C-N 3.31Å; A191-K193 PolarHBondContact O-N 3.4Å; A191-R194 WeakPolarHBondContact O-CB 3.34Å; A191-R194 PolarHBondContact O-N 2.97Å; A191-R194 VanDerWaalsContact O-N 3.08Å; A191-E195 WeakPolarHBondContact O-CB 3.32Å; A191-E195 PolarHBondContact O-N 3.39Å
192G97.3Very high96.6Very high23 Ų23112.8 Ų112.824%0.23757%0.569CS.*Hα-helixtrans-65.2-28.5178.300000114.3A188 K196A188-G192 PolarHBondContact O-N 2.91Å; G192-K196 WeakPolarHBondContact O-CG 3.19Å; G192-K196 PolarHBondContact O-N 3.29Å
193K97Very high96.6Very high164 Ų164108.1 Ų108.171%0.71356%0.559SS**Hα-helixtrans-66.8-46.2168.3-81.5-170.2174.8-162.70111.6L189 R190 A191 K196 S197L189-K193 WeakPolarHBondContact O-CG 3.37Å; L189-K193 PolarHBondContact O-N 3.42Å; L189-K193 VanDerWaalsContact O-N 3.08Å; R190-K193 PolarHBondContact O-N 2.96Å; A191-K193 VanDerWaalsContact C-N 3.31Å; A191-K193 PolarHBondContact O-N 3.4Å; K193-K196 PolarHBondContact O-N 3.46Å; K193-S197 PolarHBondContact O-N 3.11Å
194R97.1Very high96.6Very high181 Ų181107.9 Ų107.968%0.68356%0.558SS**Hα-helixtrans-63.6-42.5178.3-175-178.6-178.9-174.51.6111.9R190 A191 S197 L198R190-R194 PolarHBondContact O-N 3.34Å; A191-R194 WeakPolarHBondContact O-CB 3.34Å; A191-R194 PolarHBondContact O-N 2.97Å; A191-R194 VanDerWaalsContact O-N 3.08Å; R194-S197 PolarHBondContact O-N 2.92Å; R194-L198 HydrophobicContact CG-CD1 4.05Å; R194-L198 HydrophobicContact CG-CG 4.46Å; R194-L198 WeakPolarHBondContact O-CG 3.05Å; R194-L198 PolarHBondContact O-N 3.42Å
195E97.6Very high96.5Very high131 Ų131104.5 Ų104.561%0.61255%0.545SS*.Hα-helixtrans-57.6-51175.6-177.7179-163.100111.2A191 S197 L198 V199A191-E195 WeakPolarHBondContact O-CB 3.32Å; A191-E195 PolarHBondContact O-N 3.39Å; E195-S197 VanDerWaalsContact C-N 3.32Å; E195-S197 PolarHBondContact O-N 2.85Å; E195-L198 PolarHBondContact O-N 3.45Å; E195-V199 WeakPolarHBondContact O-CG2 3.48Å; E195-V199 PolarHBondContact O-N 3.07Å
196K96.6Very high96.5Very high165 Ų165104.8 Ų104.872%0.71755%0.549SS*.Hα-helixtrans-59.5-39.9176.1-72.8179.4178.9-166.80113.1G192 K193 V199 A200G192-K196 WeakPolarHBondContact O-CG 3.19Å; G192-K196 PolarHBondContact O-N 3.29Å; K193-K196 PolarHBondContact O-N 3.46Å; K196-V199 PolarHBondContact O-N 2.89Å; K196-A200 WeakPolarHBondContact O-CB 3.38Å; K196-A200 PolarHBondContact O-N 2.98Å
197S96.4Very high96.5Very high63 Ų63102.3 Ų102.344%0.44154%0.542SS..Hα-helixtrans-64.1-43.8175.7172.90000112.2K193 R194 E195 A200 Q201K193-S197 PolarHBondContact O-N 3.11Å; R194-S197 PolarHBondContact O-N 2.92Å; E195-S197 VanDerWaalsContact C-N 3.32Å; E195-S197 PolarHBondContact O-N 2.85Å; S197-A200 PolarHBondContact O-N 2.86Å; S197-Q201 WeakPolarHBondContact O-CG 3.21Å; S197-Q201 PolarHBondContact O-N 3.08Å
198L96.8Very high96.5Very high79 Ų79100.9 Ų100.941%0.41454%0.536SS..Hα-helixtrans-67-38.4176.4-69.8169.4000112.3R194 E195 Q201 L202R194-L198 HydrophobicContact CG-CD1 4.05Å; R194-L198 HydrophobicContact CG-CG 4.46Å; R194-L198 WeakPolarHBondContact O-CG 3.05Å; R194-L198 PolarHBondContact O-N 3.42Å; E195-L198 PolarHBondContact O-N 3.45Å; L198-Q201 PolarHBondContact O-N 3.48Å; L198-L202 WeakPolarHBondContact O-CB 3.43Å; L198-L202 WeakPolarHBondContact O-CG 3.42Å; L198-L202 PolarHBondContact O-N 3.34Å
199V97.7Very high96.5Very high90 Ų90103.7 Ų103.755%0.54554%0.542SS..Hα-helixtrans-64.8-39.8174.5170.70000111.2E195 K196 L202 A203E195-V199 WeakPolarHBondContact O-CG2 3.48Å; E195-V199 PolarHBondContact O-N 3.07Å; K196-V199 PolarHBondContact O-N 2.89Å; V199-L202 PolarHBondContact O-N 2.84Å; V199-A203 WeakPolarHBondContact O-CB 3.37Å; V199-A203 PolarHBondContact O-N 3.1Å
200A95.4Very high96.5Very high61 Ų61103.9 Ų103.950%0.50454%0.54SS..Hα-helixtrans-64.2-44174.300000112.2K196 S197 L202 A203 A204K196-A200 WeakPolarHBondContact O-CB 3.38Å; K196-A200 PolarHBondContact O-N 2.98Å; S197-A200 PolarHBondContact O-N 2.86Å; A200-L202 PolarHBondContact O-N 2.65Å; A200-A203 PolarHBondContact O-N 2.92Å; A200-A204 PolarHBondContact O-N 2.77Å
201Q96.6Very high96.5Very high119 Ų11997.6 Ų97.656%0.55652%0.519SS*.Hα-helixtrans-62.4-39.6175.5-74.1174.4-1700112.5S197 L198 A204 A205S197-Q201 WeakPolarHBondContact O-CG 3.21Å; S197-Q201 PolarHBondContact O-N 3.08Å; L198-Q201 PolarHBondContact O-N 3.48Å; Q201-A204 PolarHBondContact O-N 2.81Å; Q201-A205 WeakPolarHBondContact O-CB 3.17Å; Q201-A205 PolarHBondContact O-N 2.72Å
202L97.4Very high96.5Very high124 Ų12497.1 Ų97.165%0.64951%0.511SS*.Hα-helixtrans-65.4-38.6174.3-73.8169.2000112.2L198 V199 A200 Q206L198-L202 WeakPolarHBondContact O-CB 3.43Å; L198-L202 WeakPolarHBondContact O-CG 3.42Å; L198-L202 PolarHBondContact O-N 3.34Å; V199-L202 PolarHBondContact O-N 2.84Å; A200-L202 PolarHBondContact O-N 2.65Å; L202-Q206 WeakPolarHBondContact O-CB 3.48Å; L202-Q206 PolarHBondContact O-N 2.9Å
203A96.4Very high96.4Very high57 Ų5798.8 Ų98.847%0.47152%0.522SS..Hα-helixtrans-66.7-40.9175.900000112.3V199 A200 Q206 L207V199-A203 WeakPolarHBondContact O-CB 3.37Å; V199-A203 PolarHBondContact O-N 3.1Å; A200-A203 PolarHBondContact O-N 2.92Å; A203-Q206 PolarHBondContact O-N 3.29Å; A203-L207 PolarHBondContact O-N 3.22Å
204A96.1Very high96.4Very high47 Ų4795.4 Ų95.439%0.38851%0.511SS..Hα-helixtrans-61.6-51.8174.100000111.5A200 Q201 Q206 L207 E208A200-A204 PolarHBondContact O-N 2.77Å; Q201-A204 PolarHBondContact O-N 2.81Å; A204-Q206 VanDerWaalsContact C-N 3.26Å; A204-Q206 PolarHBondContact O-N 3.38Å; A204-L207 WeakPolarHBondContact O-CA 3.48Å; A204-L207 WeakPolarHBondContact O-CB 3.34Å; A204-L207 PolarHBondContact O-N 3.38Å; A204-E208 PolarHBondContact O-N 2.86Å
205A95.3Very high96.3Very high40 Ų4090.8 Ų90.833%0.33149%0.494SS..Hα-helixtrans-60.8-33.3177.500000112.9Q201 L209Q201-A205 WeakPolarHBondContact O-CB 3.17Å; Q201-A205 PolarHBondContact O-N 2.72Å; A205-L209 WeakPolarHBondContact O-CB 3.48Å; A205-L209 VanDerWaalsContact O-CG 3.28Å; A205-L209 WeakPolarHBondContact O-CG 3.48Å; A205-L209 PolarHBondContact O-N 3.43Å
206Q96.9Very high96.1Very high139 Ų13992.6 Ų92.665%0.6550%0.496SS*.Hα-helixtrans-67.9-38.1173-176.7175.4-20.800112.1L202 A203 A204 L209 Q210L202-Q206 WeakPolarHBondContact O-CB 3.48Å; L202-Q206 PolarHBondContact O-N 2.9Å; A203-Q206 PolarHBondContact O-N 3.29Å; A204-Q206 VanDerWaalsContact C-N 3.26Å; A204-Q206 PolarHBondContact O-N 3.38Å; Q206-L209 PolarHBondContact O-N 2.84Å; Q206-Q210 PolarHBondContact O-N 3.22Å
207L97.1Very high96.1Very high98 Ų9890.6 Ų90.651%0.51349%0.49SS..Hα-helixtrans-68-42.6174.8-176.262.8000111.5A203 A204 L209 Q210 M211A203-L207 PolarHBondContact O-N 3.22Å; A204-L207 WeakPolarHBondContact O-CA 3.48Å; A204-L207 WeakPolarHBondContact O-CB 3.34Å; A204-L207 PolarHBondContact O-N 3.38Å; L207-L209 VanDerWaalsContact C-N 3.33Å; L207-L209 PolarHBondContact O-N 3.48Å; L207-Q210 PolarHBondContact O-N 3.09Å; L207-Q210 VanDerWaalsContact O-N 3.14Å; L207-M211 HydrophobicContact CD1-CG 4.5Å; L207-M211 HydrophobicContact CG-SD 4.25Å; L207-M211 WeakPolarHBondContact O-CG 3.46Å; L207-M211 PolarHBondContact O-N 3.4Å
208E96.2Very high96Very high109 Ų10994 Ų9451%0.50950%0.497SS..Hα-helixtrans-57.2-44.2172.1-71.6170.1-123.700112A204 Q210 M211 T212A204-E208 PolarHBondContact O-N 2.86Å; E208-Q210 VanDerWaalsContact C-N 3.34Å; E208-Q210 PolarHBondContact O-N 2.9Å; E208-M211 PolarHBondContact O-N 2.85Å; E208-T212 WeakPolarHBondContact O-CB 3.25Å; E208-T212 WeakPolarHBondContact O-CG2 3.39Å; E208-T212 PolarHBondContact O-N 3.4Å; E208-T212 PolarHBondContact O-OG1 3.31Å
209L96.3Very high95.9Very high121 Ų12195.9 Ų95.963%0.63450%0.501SS*.Hα-helixtrans-62.8-38.6175.3-77.6167.3000112A205 Q206 L207 T212 A213A205-L209 WeakPolarHBondContact O-CB 3.48Å; A205-L209 VanDerWaalsContact O-CG 3.28Å; A205-L209 WeakPolarHBondContact O-CG 3.48Å; A205-L209 PolarHBondContact O-N 3.43Å; Q206-L209 PolarHBondContact O-N 2.84Å; L207-L209 VanDerWaalsContact C-N 3.33Å; L207-L209 PolarHBondContact O-N 3.48Å; L209-T212 WeakPolarHBondContact CA-OG1 2.99Å; L209-T212 PolarHBondContact O-OG1 3.01Å; L209-T212 VanDerWaalsContact O-OG1 3.04Å; L209-A213 VanDerWaalsContact O-CB 3.29Å; L209-A213 WeakPolarHBondContact O-CB 3.44Å; L209-A213 PolarHBondContact O-N 2.84Å
210Q96.6Very high95.8Very high116 Ų11698.7 Ų98.754%0.54251%0.506SS..Hα-helixtrans-68.4-43.4174.7-172.4172.6-600111.9Q206 L207 E208 A213 L214Q206-Q210 PolarHBondContact O-N 3.22Å; L207-Q210 PolarHBondContact O-N 3.09Å; L207-Q210 VanDerWaalsContact O-N 3.14Å; E208-Q210 VanDerWaalsContact C-N 3.34Å; E208-Q210 PolarHBondContact O-N 2.9Å; Q210-A213 PolarHBondContact O-N 2.99Å; Q210-L214 HydrophobicContact CG-CD1 4.39Å; Q210-L214 WeakPolarHBondContact O-CG 3.23Å; Q210-L214 PolarHBondContact O-N 3.47Å
211M95.3Very high95.7Very high64 Ų6499.5 Ų99.532%0.31551%0.505SS..Hα-helixtrans-69.2-36.1178-71-179.473.900112.7L207 E208 R215L207-M211 HydrophobicContact CD1-CG 4.5Å; L207-M211 HydrophobicContact CG-SD 4.25Å; L207-M211 WeakPolarHBondContact O-CG 3.46Å; L207-M211 PolarHBondContact O-N 3.4Å; E208-M211 PolarHBondContact O-N 2.85Å; M211-R215 WeakPolarHBondContact O-CB 3.34Å; M211-R215 VanDerWaalsContact O-CG 3.24Å; M211-R215 WeakPolarHBondContact O-CG 3.38Å; M211-R215 PolarHBondContact O-N 2.77Å; M211-R215 PolarHBondContact O-NE 3.47Å
212T95Very high95.6Very high49 Ų4997.6 Ų97.630%0.30150%0.496SS..Hα-helixtrans-67.4-43.1172.148.80000111E208 L209 L214 R215 Y216E208-T212 WeakPolarHBondContact O-CB 3.25Å; E208-T212 WeakPolarHBondContact O-CG2 3.39Å; E208-T212 PolarHBondContact O-N 3.4Å; E208-T212 PolarHBondContact O-OG1 3.31Å; L209-T212 WeakPolarHBondContact CA-OG1 2.99Å; L209-T212 PolarHBondContact O-OG1 3.01Å; L209-T212 VanDerWaalsContact O-OG1 3.04Å; T212-L214 PolarHBondContact O-N 3.37Å; T212-R215 PolarHBondContact O-N 3.03Å; T212-Y216 WeakPolarHBondContact O-CD2 3.41Å; T212-Y216 PolarHBondContact O-N 3.41Å
213A95.1Very high95.4Very high57 Ų5798.5 Ų98.547%0.47149%0.492SS..Hα-helixtrans-57.8-45.1174.200000112.5L209 Q210 Y216 Q217L209-A213 VanDerWaalsContact O-CB 3.29Å; L209-A213 WeakPolarHBondContact O-CB 3.44Å; L209-A213 PolarHBondContact O-N 2.84Å; Q210-A213 PolarHBondContact O-N 2.99Å; A213-Y216 PolarHBondContact O-N 2.93Å; A213-Q217 WeakPolarHBondContact O-CB 3.37Å; A213-Q217 PolarHBondContact O-N 2.99Å
214L95.7Very high95.2Very high94 Ų9498 Ų9849%0.49249%0.485SS..Hα-helixtrans-63-40.5174.8-72.3168.8000112.4Q210 T212 Q217 K218Q210-L214 HydrophobicContact CG-CD1 4.39Å; Q210-L214 WeakPolarHBondContact O-CG 3.23Å; Q210-L214 PolarHBondContact O-N 3.47Å; T212-L214 PolarHBondContact O-N 3.37Å; L214-Q217 PolarHBondContact O-N 3.3Å; L214-K218 PolarHBondContact O-N 2.91Å
215R95.1Very high94.9Very high84 Ų8498.1 Ų98.132%0.31749%0.486SS..Hα-helixtrans-65.1-38.2175-75.2176.6-72.7177-5.7112.3M211 T212 K219 E409M211-R215 WeakPolarHBondContact O-CB 3.34Å; M211-R215 VanDerWaalsContact O-CG 3.24Å; M211-R215 WeakPolarHBondContact O-CG 3.38Å; M211-R215 PolarHBondContact O-N 2.77Å; M211-R215 PolarHBondContact O-NE 3.47Å; T212-R215 PolarHBondContact O-N 3.03Å; R215-K219 WeakPolarHBondContact O-CG 3.24Å; R215-K219 PolarHBondContact O-N 3.46Å; R215-E409 WeakPolarHBondContact CD-OE1 3.42Å; R215-E409 IonicContact CZ-OE1 3.89Å; R215-E409 IonicContact NE-OE1 2.77Å; R215-E409 IonicContact NH1-OE1 3.91Å; R215-E409 PolarHBondContact NH1-OE1 3.38Å
216Y95.2Very high94.7Very high168 Ų168103.3 Ų103.366%0.65950%0.497SS*.Hα-helixtrans-66.8-40.9171.3-77.7-63.4000112.3T212 A213 K218 K219 F220T212-Y216 WeakPolarHBondContact O-CD2 3.41Å; T212-Y216 PolarHBondContact O-N 3.41Å; A213-Y216 PolarHBondContact O-N 2.93Å; Y216-K218 PolarHBondContact O-N 3.29Å; Y216-K219 PolarHBondContact O-N 2.91Å; Y216-F220 WeakPolarHBondContact O-CB 3.34Å; Y216-F220 PolarHBondContact O-N 3.01Å
217Q95.6Very high94.2Very high124 Ų124102.2 Ų102.258%0.57950%0.495SS*.Hα-helixtrans-61.7-42.8175.8-171178.77.200111.8A213 L214 F220 T221A213-Q217 WeakPolarHBondContact O-CB 3.37Å; A213-Q217 PolarHBondContact O-N 2.99Å; L214-Q217 PolarHBondContact O-N 3.3Å; Q217-F220 PolarHBondContact O-N 2.81Å; Q217-T221 PolarHBondContact O-N 2.91Å; Q217-T221 PolarHBondContact O-OG1 3.2Å
218K94.9Very high93.5Very high135 Ų135101.4 Ų101.459%0.58749%0.492SS*.Hα-helixtrans-63-47173.8-176.1-177.3174.8-174.60112.1L214 Y216 F220 T221 E222L214-K218 PolarHBondContact O-N 2.91Å; Y216-K218 PolarHBondContact O-N 3.29Å; K218-F220 VanDerWaalsContact C-N 3.27Å; K218-F220 PolarHBondContact O-N 3.11Å; K218-T221 PolarHBondContact O-N 2.79Å; K218-T221 PolarHBondContact O-OG1 2.78Å; K218-E222 VanDerWaalsContact CE-OE1 3.24Å; K218-E222 WeakPolarHBondContact CE-OE1 3.46Å; K218-E222 WeakPolarHBondContact O-CG 3.35Å; K218-E222 PolarHBondContact O-N 3.36Å
219K94.9Very high92.8Very high118 Ų11898.7 Ų98.751%0.51348%0.484SS..Hα-helixtrans-60.4-38.5175.2-74175.5-179.5176.20111.3R215 Y216 E222 Y223R215-K219 WeakPolarHBondContact O-CG 3.24Å; R215-K219 PolarHBondContact O-N 3.46Å; Y216-K219 PolarHBondContact O-N 2.91Å; K219-E222 PolarHBondContact O-N 3.17Å; K219-Y223 HydrophobicContact CB-CD2 4.49Å; K219-Y223 HydrophobicContact CB-CE2 4.28Å; K219-Y223 WeakPolarHBondContact O-CD2 3.34Å; K219-Y223 PolarHBondContact O-N 2.81Å
220F95.3Very high92Very high148 Ų14898.2 Ų98.265%0.64948%0.482SS*.Hα-helixtrans-64.1-45.3176.1-178.9-92.9000112.8Y216 Q217 K218 Y223 S224Y216-F220 WeakPolarHBondContact O-CB 3.34Å; Y216-F220 PolarHBondContact O-N 3.01Å; Q217-F220 PolarHBondContact O-N 2.81Å; K218-F220 VanDerWaalsContact C-N 3.27Å; K218-F220 PolarHBondContact O-N 3.11Å; F220-Y223 PolarHBondContact O-N 3.32Å; F220-S224 PolarHBondContact O-N 3.4Å
221T93.6Very high91.1Very high79 Ų7996.1 Ų96.149%0.48548%0.48SS..Hα-helixtrans-67.4-36.7176.954.80000112.1Q217 K218 S224 A225Q217-T221 PolarHBondContact O-N 2.91Å; Q217-T221 PolarHBondContact O-OG1 3.2Å; K218-T221 PolarHBondContact O-N 2.79Å; K218-T221 PolarHBondContact O-OG1 2.78Å; T221-S224 PolarHBondContact O-N 2.61Å; T221-A225 WeakPolarHBondContact O-CB 3.4Å; T221-A225 PolarHBondContact O-N 3.02Å
222E93.4Very high90Very high79 Ų79101 Ų10137%0.36950%0.495SS..Hα-helixtrans-61.6-44.1170.7-74.4-179.1-14800112.4K218 K219 A225 R226K218-E222 VanDerWaalsContact CE-OE1 3.24Å; K218-E222 WeakPolarHBondContact CE-OE1 3.46Å; K218-E222 WeakPolarHBondContact O-CG 3.35Å; K218-E222 PolarHBondContact O-N 3.36Å; K219-E222 PolarHBondContact O-N 3.17Å; E222-A225 PolarHBondContact O-N 2.88Å; E222-R226 VanDerWaalsContact O-CG 3.31Å; E222-R226 WeakPolarHBondContact O-CG 3.15Å; E222-R226 PolarHBondContact O-N 2.98Å; E222-R226 IonicContact OE2-NH2 3.27Å
223Y93Very high88.3Confident142 Ų142103.2 Ų103.256%0.55751%0.512SS*.Hα-helixtrans-66.2-40.1175.9-74.2-54.3000112.3K219 F220 R226 L227K219-Y223 HydrophobicContact CB-CD2 4.49Å; K219-Y223 HydrophobicContact CB-CE2 4.28Å; K219-Y223 WeakPolarHBondContact O-CD2 3.34Å; K219-Y223 PolarHBondContact O-N 2.81Å; F220-Y223 PolarHBondContact O-N 3.32Å; Y223-R226 PolarHBondContact O-N 3.14Å; Y223-L227 WeakPolarHBondContact O-CG 3.46Å; Y223-L227 PolarHBondContact O-N 3.37Å
224S93.4Very high86.8Confident47 Ų47106.6 Ų106.633%0.32953%0.526SS..Hα-helixtrans-59-51.3173.3-166.20000110.7F220 T221 R226 L227 D228F220-S224 PolarHBondContact O-N 3.4Å; T221-S224 PolarHBondContact O-N 2.61Å; S224-R226 PolarHBondContact O-N 2.88Å; S224-L227 CarbonylContact O-C 3.52Å; S224-L227 WeakPolarHBondContact O-CA 3.38Å; S224-L227 WeakPolarHBondContact O-CB 3.13Å; S224-L227 PolarHBondContact O-N 2.76Å; S224-D228 PolarHBondContact O-N 3.42Å; S224-D228 VanDerWaalsContact O-OD2 3.04Å; S224-D228 PolarHBondContact OG-OD2 2.98Å
225A89.7Confident84.7Confident50 Ų50105.8 Ų105.841%0.41353%0.533SS..Hα-helixtrans-60.7-31.8179.300000113.1T221 E222 S229T221-A225 WeakPolarHBondContact O-CB 3.4Å; T221-A225 PolarHBondContact O-N 3.02Å; E222-A225 PolarHBondContact O-N 2.88Å; A225-S229 WeakPolarHBondContact O-CB 3.03Å; A225-S229 PolarHBondContact O-N 3.31Å; A225-S229 VanDerWaalsContact O-N 3.11Å; A225-S229 PolarHBondContact O-OG 3.04Å
226R90.4Very high82.4Confident148 Ų148104.6 Ų104.656%0.55854%0.541SS*.Hα-helixtrans-69.1-44.8170.8-71.1174.7-167.4-160.58.1111.8E222 Y223 S224 S229 L230E222-R226 VanDerWaalsContact O-CG 3.31Å; E222-R226 WeakPolarHBondContact O-CG 3.15Å; E222-R226 PolarHBondContact O-N 2.98Å; E222-R226 IonicContact OE2-NH2 3.27Å; Y223-R226 PolarHBondContact O-N 3.14Å; S224-R226 PolarHBondContact O-N 2.88Å; R226-S229 PolarHBondContact O-N 2.93Å; R226-L230 WeakPolarHBondContact O-CG 3.43Å; R226-L230 PolarHBondContact O-N 2.95Å
227L87Confident80.1Confident116 Ų116101.9 Ų101.961%0.60754%0.544SS*.Hα-helixtrans-63.1-43.1176-72.1169.7000112Y223 S224 S229 L230 S231Y223-L227 WeakPolarHBondContact O-CG 3.46Å; Y223-L227 PolarHBondContact O-N 3.37Å; S224-L227 CarbonylContact O-C 3.52Å; S224-L227 WeakPolarHBondContact O-CA 3.38Å; S224-L227 WeakPolarHBondContact O-CB 3.13Å; S224-L227 PolarHBondContact O-N 2.76Å; L227-S229 VanDerWaalsContact C-N 3.25Å; L227-S229 PolarHBondContact O-N 3.29Å; L227-L230 PolarHBondContact O-N 3Å; L227-S231 WeakPolarHBondContact O-CB 3.43Å; L227-S231 PolarHBondContact O-N 2.72Å
228D82.8Confident77.9Confident82 Ų82102.9 Ų102.944%0.43956%0.561SS.*Hα-helixtrans-62.6-33.2174.3-67-45000111.9S224 R232S224-D228 PolarHBondContact O-N 3.42Å; S224-D228 VanDerWaalsContact O-OD2 3.04Å; S224-D228 PolarHBondContact OG-OD2 2.98Å; D228-R232 WeakPolarHBondContact O-CB 3.44Å; D228-R232 VanDerWaalsContact O-CG 3.23Å; D228-R232 WeakPolarHBondContact O-CG 3.46Å; D228-R232 PolarHBondContact O-N 2.72Å; D228-R232 PolarHBondContact O-NE 2.96Å
229S81.1Confident75.7Confident51 Ų5199.9 Ų99.936%0.35757%0.569SS.*Hα-helixtrans-73.9-42.5175.8-58.10000112.1A225 R226 L227 R232 C233A225-S229 WeakPolarHBondContact O-CB 3.03Å; A225-S229 PolarHBondContact O-N 3.31Å; A225-S229 VanDerWaalsContact O-N 3.11Å; A225-S229 PolarHBondContact O-OG 3.04Å; R226-S229 PolarHBondContact O-N 2.93Å; L227-S229 VanDerWaalsContact C-N 3.25Å; L227-S229 PolarHBondContact O-N 3.29Å; S229-R232 PolarHBondContact O-N 3.12Å; S229-R232 PolarHBondContact OG-NH2 2.84Å; S229-C233 PolarHBondContact O-N 2.88Å; S229-C233 PolarHBondContact O-SG 3.02Å
230L78.8Confident73.5Confident111 Ų11197.3 Ų97.358%0.58158%0.576SS**Hα-helixtrans-63.4-42.7172.4-70.8168.2000111.6R226 L227 R232 C233 V234R226-L230 WeakPolarHBondContact O-CG 3.43Å; R226-L230 PolarHBondContact O-N 2.95Å; L227-L230 PolarHBondContact O-N 3Å; L230-R232 PolarHBondContact O-N 2.88Å; L230-C233 WeakPolarHBondContact O-CB 3.42Å; L230-C233 PolarHBondContact O-N 3.13Å; L230-C233 VanDerWaalsContact O-N 3.09Å; L230-V234 WeakPolarHBondContact O-CG2 3.46Å; L230-V234 PolarHBondContact O-N 2.94Å
231S78Confident70.8Confident73 Ų73100.3 Ų100.351%0.5159%0.589SS.*Hα-helixtrans-58.3-46.4174.7-175.60000111.2L227 C233 V234 A235L227-S231 WeakPolarHBondContact O-CB 3.43Å; L227-S231 PolarHBondContact O-N 2.72Å; S231-C233 VanDerWaalsContact C-N 3.31Å; S231-C233 PolarHBondContact O-N 3.47Å; S231-V234 PolarHBondContact O-N 3.16Å; S231-V234 VanDerWaalsContact O-N 3.15Å; S231-A235 VanDerWaalsContact O-CB 3.27Å; S231-A235 WeakPolarHBondContact O-CB 3.44Å; S231-A235 PolarHBondContact O-N 2.96Å
232R71.6Confident68.3Low165 Ų165100 Ų10062%0.62360%0.602SS**Hα-helixtrans-62.7-32.3173.2-75.1174.4-67.4-173.15.3113.6D228 S229 L230 A236D228-R232 WeakPolarHBondContact O-CB 3.44Å; D228-R232 VanDerWaalsContact O-CG 3.23Å; D228-R232 WeakPolarHBondContact O-CG 3.46Å; D228-R232 PolarHBondContact O-N 2.72Å; D228-R232 PolarHBondContact O-NE 2.96Å; S229-R232 PolarHBondContact O-N 3.12Å; S229-R232 PolarHBondContact OG-NH2 2.84Å; L230-R232 PolarHBondContact O-N 2.88Å; R232-A236 PolarHBondContact O-N 3.31Å
233C60.3Low66.3Low97 Ų97102.6 Ų102.666%0.65561%0.614SS**Hα-helixtrans-70.9-34.4172.7-67.80000113.1S229 L230 S231S229-C233 PolarHBondContact O-N 2.88Å; S229-C233 PolarHBondContact O-SG 3.02Å; L230-C233 WeakPolarHBondContact O-CB 3.42Å; L230-C233 PolarHBondContact O-N 3.13Å; L230-C233 VanDerWaalsContact O-N 3.09Å; S231-C233 VanDerWaalsContact C-N 3.31Å; S231-C233 PolarHBondContact O-N 3.47Å
234V62.7Low64.3Low128 Ų128101.5 Ų101.578%0.77661%0.614SS**Hα-helixtrans-80.1-32177.7174.30000112.1L230 S231 A236L230-V234 WeakPolarHBondContact O-CG2 3.46Å; L230-V234 PolarHBondContact O-N 2.94Å; S231-V234 PolarHBondContact O-N 3.16Å; S231-V234 VanDerWaalsContact O-N 3.15Å; V234-A236 PolarHBondContact O-N 2.99Å
235A51.6Low62.9Low76 Ų76102 Ų10263%0.62862%0.615SS**SBendtrans-77.8-3.5176.400000114S231S231-A235 VanDerWaalsContact O-CB 3.27Å; S231-A235 WeakPolarHBondContact O-CB 3.44Å; S231-A235 PolarHBondContact O-N 2.96Å
236A46.4Very low62.1Low60 Ų60104.9 Ų104.950%0.49662%0.618SS.*SBendtrans-66.9121.3173.100000110R232 V234R232-A236 PolarHBondContact O-N 3.31Å; V234-A236 PolarHBondContact O-N 2.99Å
237P48.3Very low61.6Low111 Ų111102 Ų10272%0.72162%0.62SS**  trans-66.3148.4-175.326.6-34.6000111.4G239P237-G239 PolarHBondContact O-N 2.91Å
238P49.1Very low61.4Low144 Ų14499.5 Ų99.594%0.93561%0.607SS**  trans-7367.7-179.930.6-35.9000111.9
239G48.2Very low61.5Low72 Ų72100 Ų10074%0.74261%0.613SS**  trans-11955-163.600000115.1P237P237-G239 PolarHBondContact O-N 2.91Å
240G48.3Very low61.7Low65 Ų6598 Ų9867%0.6760%0.599SS**SBendtrans82.395.3154.700000118.7
241K40.1Very low62.1Low210 Ų21096.6 Ų96.691%0.91360%0.595SS**  -168.4109.2129.4-99.6146.5-169.4172.50108.6
242G41.3Very low62.3Low73 Ų7393.3 Ų93.375%0.75357%0.571SS**  trans-72.3158.4-177.200000113.2E244G242-E244 PolarHBondContact O-N 2.89Å
243E50Low62.7Low133 Ų13389.9 Ų89.962%0.62156%0.562SS**  trans-62.2126.9164.2-63.8-168.715600109.5T245 R338E243-T245 PolarHBondContact O-N 3.48Å; E243-R338 VanDerWaalsContact CD-NH2 3.28Å; E243-R338 IonicContact OE1-CZ 3.61Å; E243-R338 IonicContact OE1-NH2 3.63Å; E243-R338 PolarHBondContact OE1-NH2 3.32Å; E243-R338 IonicContact OE2-CZ 3.61Å; E243-R338 IonicContact OE2-NE 3.53Å; E243-R338 PolarHBondContact OE2-NE 3.22Å; E243-R338 IonicContact OE2-NH2 2.77Å; E243-R338 PolarHBondContact OE2-NH2 3.03Å
244E50.9Low63.8Low119 Ų11989.1 Ų89.156%0.55655%0.546SS*.  trans-73.570.9174.3-73.1177.8-134.900111.2G242 K246 R341G242-E244 PolarHBondContact O-N 2.89Å; E244-K246 PolarHBondContact O-N 2.8Å; E244-R341 IonicContact OE1-NH2 3.45Å
245T64.2Low64.2Low58 Ų5886.6 Ų86.636%0.35653%0.528SS..EExtended strand (participates in β ladder)trans-74.4119.3164.553.20000109.2E243 R338E243-T245 PolarHBondContact O-N 3.48Å; T245-R338 HydrophobicContact CG2-CG 4.18Å
246K74.3Confident64.9Low110 Ų11089 Ų8948%0.47854%0.54SS..EExtended strand (participates in β ladder)trans-93.9128177.4-65.3-176.1-177.7178.60109.5E244 R337 T339E244-K246 PolarHBondContact O-N 2.8Å; K246-R337 PolarHBondContact N-O 3.16Å; K246-R337 PolarHBondContact O-N 2.89Å; K246-T339 HydrophobicContact CD-CG2 4.07Å
247S78.8Confident66Low87 Ų8788 Ų8861%0.60854%0.536SS*.EExtended strand (participates in β ladder)trans-73133167.5450000109.8V335S247-V335 CarbonylContact C-O 3.56Å; S247-V335 VanDerWaalsContact CA-O 3.32Å; S247-V335 WeakPolarHBondContact CA-O 3.38Å
248L82.9Confident67.5Low64 Ų6485.6 Ų85.634%0.33552%0.521SS..EExtended strand (participates in β ladder)trans-130.4129.6178.8-75.2141.4000108.8L250 Q334 V335 R337L248-L250 HydrophobicContact CB-CD2 4.1Å; L248-Q334 WeakPolarHBondContact O-CA 3.45Å; L248-V335 HydrophobicContact CB-CG2 3.96Å; L248-V335 PolarHBondContact N-O 3.27Å; L248-V335 PolarHBondContact O-N 2.86Å; L248-R337 HydrophobicContact CD1-CB 3.43Å; L248-R337 VanDerWaalsContact CD1-CB 3.43Å; L248-R337 HydrophobicContact CD1-CG 4.25Å
249T85.3Confident69Low92 Ų9279.6 Ų79.656%0.56448%0.482SS*.EExtended strand (participates in β ladder)trans-98.8115.9173.4-54.40000108.6V332 V333 Q334T249-V332 HydrophobicContact CG2-CG1 3.42Å; T249-V332 VanDerWaalsContact CG2-CG1 3.42Å; T249-V333 WeakPolarHBondContact CA-O 3.16Å; T249-Q334 HydrophobicContact CG2-CG 4.44Å
250L86Confident70.6Confident10 Ų1076.8 Ų76.85%0.05245%0.453CS..EExtended strand (participates in β ladder)trans-110153.6-175.9-46.8176.9000109.3L248 G296 L298 V332 V333 V335L248-L250 HydrophobicContact CB-CD2 4.1Å; L250-G296 WeakPolarHBondContact CD2-O 3.47Å; L250-L298 HydrophobicContact CD1-CD2 3.52Å; L250-L298 HydrophobicContact CD1-CG 3.97Å; L250-V332 CarbonylContact O-C 3.58Å; L250-V332 WeakPolarHBondContact O-CA 3.43Å; L250-V333 PolarHBondContact N-O 2.96Å; L250-V333 PolarHBondContact O-N 3.23Å; L250-V335 HydrophobicContact CD1-CG1 4.19Å; L250-V335 HydrophobicContact CD1-CG2 3.79Å; L250-V335 HydrophobicContact CG-CG2 4.26Å
251V85.2Confident72.5Confident81 Ų8175.1 Ų75.149%0.49143%0.427SS..EExtended strand (participates in β ladder)trans-125.8122.8178.9-174.20000110P330 V332V251-P330 HydrophobicContact CG1-CB 3.73Å; V251-V332 HydrophobicContact CG2-CG2 4.47Å
252L83.4Confident74.7Confident5 Ų569.3 Ų69.33%0.02641%0.406CS..EExtended strand (participates in β ladder)trans-117.6149.3-176.4-55.5179.5000111.4L259 F261 L298 I331 V333L252-L259 HydrophobicContact CB-CD2 4.03Å; L252-F261 HydrophobicContact CD1-CE1 3.98Å; L252-L298 HydrophobicContact CD1-CD1 3.84Å; L252-L298 HydrophobicContact CD1-CG 4.41Å; L252-I331 HydrophobicContact CB-CB 4.35Å; L252-I331 PolarHBondContact N-O 2.79Å; L252-I331 PolarHBondContact O-N 3.03Å; L252-V333 HydrophobicContact CD1-CG2 3.89Å; L252-V333 HydrophobicContact CG-CG2 4.32Å
253H79.7Confident76.9Confident93 Ų9366.9 Ų66.943%0.43138%0.375SS..  trans-128.9151175.9-64.6-95000109.2D255 P291H253-D255 PolarHBondContact O-N 3.3Å; H253-P291 WeakPolarHBondContact O-CB 3.29Å; H253-P291 WeakPolarHBondContact O-CG 3.29Å
254R82.4Confident78.4Confident81 Ų8164.9 Ų64.931%0.30637%0.368SS..  trans-97.877-169.9-58.3-178.573.2150.1-2.4112.7S256 G257 S258 L259 K325 E329 I331R254-S256 PolarHBondContact O-N 3Å; R254-G257 PolarHBondContact NE-O 3Å; R254-G257 VanDerWaalsContact NE-O 3.16Å; R254-G257 PolarHBondContact NH2-O 3.33Å; R254-G257 PolarHBondContact O-N 2.91Å; R254-S258 WeakPolarHBondContact CA-O 2.95Å; R254-L259 HydrophobicContact CG-CD2 3.76Å; R254-L259 HydrophobicContact CG-CG 4.23Å; R254-K325 PolarHBondContact NH1-O 3.21Å; R254-E329 WeakPolarHBondContact CB-OE1 3.27Å; R254-E329 WeakPolarHBondContact CG-OE1 3.39Å; R254-E329 PolarHBondContact N-OE1 3.26Å; R254-I331 HydrophobicContact CG-CD1 3.75Å
255D71.4Confident79.8Confident75 Ų7561 Ų6140%0.40136%0.359SS..G310 helixtrans-63127.1172.1-55.2-37.4000110H253 G257 S258 P291 K294H253-D255 PolarHBondContact O-N 3.3Å; D255-G257 PolarHBondContact O-N 3.28Å; D255-G257 VanDerWaalsContact O-N 3.08Å; D255-S258 PolarHBondContact O-N 2.86Å; D255-P291 HydrophobicContact CB-CG 3.81Å; D255-K294 IonicContact OD1-NZ 2.73Å; D255-K294 WeakPolarHBondContact OD2-CE 3.39Å; D255-K294 IonicContact OD2-NZ 3.78Å; D255-K294 PolarHBondContact OD2-NZ 3.3Å
256S66Low80.2Confident125 Ų12559 Ų5987%0.87435%0.35SS*.G310 helixtrans54.120.5-174.865.90000115.7R254 S258R254-S256 PolarHBondContact O-N 3Å; S256-S258 VanDerWaalsContact C-N 3.31Å; S256-S258 PolarHBondContact O-N 3.18Å
257G70.7Confident79.9Confident41 Ų4158.5 Ų58.542%0.42335%0.346SS..G310 helixtrans86.1-7.6178.800000115.2R254 D255R254-G257 PolarHBondContact NE-O 3Å; R254-G257 VanDerWaalsContact NE-O 3.16Å; R254-G257 PolarHBondContact NH2-O 3.33Å; R254-G257 PolarHBondContact O-N 2.91Å; D255-G257 PolarHBondContact O-N 3.28Å; D255-G257 VanDerWaalsContact O-N 3.08Å
258S79.2Confident78.9Confident59 Ų5959 Ų5941%0.41335%0.346SS..  trans-100.1169.7175.683.10000111.9R254 D255 S256R254-S258 WeakPolarHBondContact CA-O 2.95Å; D255-S258 PolarHBondContact O-N 2.86Å; S256-S258 VanDerWaalsContact C-N 3.31Å; S256-S258 PolarHBondContact O-N 3.18Å
259L81.3Confident77.6Confident19 Ų1961.5 Ų61.510%0.09937%0.37CS..  trans-116.5-9.4174.3-70.2169.9000113.9L252 R254 F261 A292 F324 I331L252-L259 HydrophobicContact CB-CD2 4.03Å; R254-L259 HydrophobicContact CG-CD2 3.76Å; R254-L259 HydrophobicContact CG-CG 4.23Å; L259-F261 HydrophobicContact CB-CD1 3.77Å; L259-F261 HydrophobicContact CB-CE1 3.57Å; L259-F261 HydrophobicContact CD1-CE1 3.94Å; L259-F261 HydrophobicContact CG-CE1 4.35Å; L259-A292 VanDerWaalsContact O-CB 3.25Å; L259-A292 WeakPolarHBondContact O-CB 3.19Å; L259-A292 PolarHBondContact O-N 2.96Å; L259-F324 HydrophobicContact CD1-CB 4.5Å; L259-F324 HydrophobicContact CD1-CD1 3.94Å; L259-I331 HydrophobicContact CD1-CD1 4.2Å; L259-I331 HydrophobicContact CD2-CD1 4.27Å
260G81.9Confident75.9Confident13 Ų1362.2 Ų62.213%0.13437%0.374CS..SBendtrans73.325.3174.200000116.1V287G260-V287 PolarHBondContact O-N 3.23Å
261F87.1Confident74.3Confident29 Ų2969.4 Ų69.413%0.12741%0.412CS..EExtended strand (participates in β ladder)trans-141.7160.1172.272.6-80.7000112.3L252 L259 I263 V283 K285 I286 A292 L298 I304 F324L252-F261 HydrophobicContact CD1-CE1 3.98Å; L259-F261 HydrophobicContact CB-CD1 3.77Å; L259-F261 HydrophobicContact CB-CE1 3.57Å; L259-F261 HydrophobicContact CD1-CE1 3.94Å; L259-F261 HydrophobicContact CG-CE1 4.35Å; F261-I263 HydrophobicContact CD2-CG2 3.9Å; F261-I263 HydrophobicContact CE2-CG2 3.53Å; F261-V283 HydrophobicContact CB-CG1 4.4Å; F261-V283 HydrophobicContact CD2-CG1 4.35Å; F261-V283 HydrophobicContact CD2-CG2 4.19Å; F261-K285 CarbonylContact C-O 3.58Å; F261-K285 WeakPolarHBondContact CA-O 3.11Å; F261-I286 HydrophobicContact CB-CG1 4.1Å; F261-A292 HydrophobicContact CB-CB 3.96Å; F261-A292 HydrophobicContact CD1-CB 3.68Å; F261-A292 HydrophobicContact CG-CB 4.17Å; F261-L298 HydrophobicContact CD1-CD1 3.67Å; F261-L298 HydrophobicContact CD2-CD1 3.78Å; F261-L298 HydrophobicContact CE1-CD1 3.66Å; F261-L298 HydrophobicContact CE2-CD1 3.77Å; F261-L298 HydrophobicContact CG-CD1 3.73Å; F261-L298 HydrophobicContact CZ-CD1 3.72Å; F261-I304 HydrophobicContact CE2-CD1 4.13Å; F261-F324 HydrophobicContact CE1-CE1 4.45Å; F261-F324 HydrophobicContact CE2-CE2 4.25Å; F261-F324 HydrophobicContact CE2-CZ 4.17Å; F261-F324 HydrophobicContact CZ-CD1 4.03Å; F261-F324 HydrophobicContact CZ-CD2 4.32Å; F261-F324 AromaticContact CZ-CE1 3.68Å; F261-F324 HydrophobicContact CZ-CE1 3.68Å; F261-F324 AromaticContact CZ-CE2 3.99Å; F261-F324 HydrophobicContact CZ-CE2 3.99Å; F261-F324 HydrophobicContact CZ-CG 4.34Å; F261-F324 AromaticContact CZ-CZ 3.65Å; F261-F324 HydrophobicContact CZ-CZ 3.65Å
262N86.4Confident72.3Confident89 Ų8972.5 Ų72.548%0.47643%0.426SS..EExtended strand (participates in β ladder)trans-115.5146175.5-67.5-62.5000110.5V283 S284 K285N262-V283 WeakPolarHBondContact O-CA 3.3Å; N262-S284 WeakPolarHBondContact CB-OG 3.48Å; N262-S284 PolarHBondContact O-N 3.34Å; N262-S284 PolarHBondContact O-OG 3.16Å; N262-K285 HydrophobicContact CB-CB 4.36Å; N262-K285 PolarHBondContact N-O 2.83Å
263I88.4Confident70.7Confident22 Ų2281.7 Ų81.711%0.11347%0.468CS..EExtended strand (participates in β ladder)trans-113.2153.1174.560.8175.2000111.7F261 I281 F282 I304 H317 A320 V321F261-I263 HydrophobicContact CD2-CG2 3.9Å; F261-I263 HydrophobicContact CE2-CG2 3.53Å; I263-I281 HydrophobicContact CB-CG2 3.97Å; I263-I281 HydrophobicContact CD1-CG2 3.92Å; I263-I281 HydrophobicContact CG1-CG2 4.47Å; I263-I281 HydrophobicContact CG2-CG2 4.18Å; I263-F282 CarbonylContact C-O 3.59Å; I263-F282 VanDerWaalsContact CA-O 3.25Å; I263-F282 WeakPolarHBondContact CA-O 3.16Å; I263-I304 HydrophobicContact CG2-CD1 3.69Å; I263-H317 PolarHBondContact O-CE1 3.35Å; I263-A320 HydrophobicContact CD1-CB 3.78Å; I263-V321 HydrophobicContact CD1-CG2 4.02Å
264I81.9Confident69.1Low91 Ų9185.2 Ų85.247%0.46749%0.49SS..EExtended strand (participates in β ladder)trans-135.6165172.659.4176.1000110.2F282I264-F282 HydrophobicContact CG1-CB 4.22Å; I264-F282 PolarHBondContact N-O 3.33Å; I264-F282 PolarHBondContact O-N 3.06Å
265G79.5Confident67Low36 Ų3684.3 Ų84.337%0.37151%0.506SS..EExtended strand (participates in β ladder)trans81.2-167.4-174.700000112.9G280 H317G265-G280 CarbonylContact C-O 3.58Å; G265-H317 PolarHBondContact O-ND1 2.79Å
266G72.1Confident65.8Low16 Ų1686.3 Ų86.317%0.16553%0.526CS..  trans107.8149.4-166.600000111.5G280 I281 A315G266-G280 PolarHBondContact N-O 3.08Å; G266-I281 VanDerWaalsContact CA-CD1 3.49Å; G266-A315 WeakPolarHBondContact CA-O 3.16Å
267R67.8Low65Low101 Ų10186 Ų8638%0.38152%0.523SS..  trans-65.8135.4-177.7-158.4-172.3-47.3-84.3-15.8110.6E279 R314 A315R267-E279 IonicContact CZ-OE1 2.88Å; R267-E279 IonicContact NH1-OE1 2.67Å; R267-E279 PolarHBondContact NH1-OE1 2.87Å; R267-E279 IonicContact NH2-OE1 2.69Å; R267-E279 PolarHBondContact NH2-OE1 2.59Å; R267-R314 VanDerWaalsContact NH2-CB 3.33Å; R267-R314 PolarHBondContact NH2-O 3.04Å; R267-A315 PolarHBondContact N-O 2.85Å; R267-A315 VanDerWaalsContact N-O 3.12Å
268P59.2Low64.2Low96 Ų9687.8 Ų87.862%0.62353%0.529SS*.  trans-63.4144.5170.227.2-34.5000110.4V270P268-V270 PolarHBondContact O-N 3.49Å
269S55Low63.6Low118 Ų11888.6 Ų88.683%0.82553%0.527SS*.SBendtrans-81.536.2-172-170.90000114.1
270V49.1Very low63.5Low107 Ų10787.8 Ų87.865%0.64852%0.523SS*.SBendtrans-139.6121.4-177.9-143.60000109.6P268 N272P268-V270 PolarHBondContact O-N 3.49Å; V270-N272 PolarHBondContact O-N 3.38Å
271D53.3Low63.7Low161 Ų16187.2 Ų87.286%0.86152%0.517SS*.  trans-72.197.4179-64.8-59.4000111
272N43.2Very low63.7Low146 Ų14688.9 Ų88.978%0.78153%0.525SS*.  trans-139.8125.9161-81-74.4000108.7V270V270-N272 PolarHBondContact O-N 3.38Å
273H48.6Very low63.7Low198 Ų19884.7 Ų84.792%0.91750%0.502SS*.  trans-84.6113.8174.8-80.3-99000110.2
274D46.5Very low63.6Low167 Ų16785.1 Ų85.189%0.89351%0.507SS*.  -163.2162.8124.9-139.3-24.4000113.7
275G39.4Very low63.7Low61 Ų6187.4 Ų87.463%0.62951%0.514SS*.  trans60.474.9139.100000121.5
276S46.2Very low64Low117 Ų11787 Ų8782%0.81850%0.503SS*.  trans55.3121.1141-164.40000121.6
277S49.1Very low64.6Low118 Ų11889.8 Ų89.883%0.82552%0.516SS*.SBend145.8-12.5122.763.80000116.7
278S54.1Low64.7Low79 Ų7992.3 Ų92.355%0.55254%0.537SS*.  trans-124.620.2-171.459.70000116.5G280S278-G280 PolarHBondContact O-N 3Å
279E66.1Low65.4Low76 Ų7694.4 Ų94.436%0.35555%0.548SS..  trans-72.788.9177-171.8175.2-155.900112R267 R303 R314R267-E279 IonicContact CZ-OE1 2.88Å; R267-E279 IonicContact NH1-OE1 2.67Å; R267-E279 PolarHBondContact NH1-OE1 2.87Å; R267-E279 IonicContact NH2-OE1 2.69Å; R267-E279 PolarHBondContact NH2-OE1 2.59Å; E279-R303 PolarHBondContact O-NH1 3.11Å; E279-R303 VanDerWaalsContact O-NH1 3.11Å; E279-R303 PolarHBondContact O-NH2 2.87Å; E279-R314 IonicContact OE1-CZ 3.13Å; E279-R314 VanDerWaalsContact OE1-CZ 3.3Å; E279-R314 IonicContact OE1-NE 2.62Å; E279-R314 PolarHBondContact OE1-NE 2.8Å; E279-R314 IonicContact OE1-NH2 3.39Å; E279-R314 PolarHBondContact OE1-NH2 2.89Å; E279-R314 IonicContact OE2-NH2 2.8Å; E279-R314 PolarHBondContact OE2-NH2 3.27Å
280G78.3Confident66.4Low3 Ų389.2 Ų89.23%0.03151%0.514CS..SBendtrans168.1165.9170.200000114.2G265 G266 S278 F282G265-G280 CarbonylContact C-O 3.58Å; G266-G280 PolarHBondContact N-O 3.08Å; S278-G280 PolarHBondContact O-N 3Å; G280-F282 WeakPolarHBondContact O-CD2 3.43Å; G280-F282 WeakPolarHBondContact O-CE2 3.36Å
281I86.4Confident67.8Low0 Ų084.5 Ų84.50%049%0.485CS..EExtended strand (participates in β ladder)trans-102.5130.2171.7-54.8-68.6000108.8I263 G266 R303 I304 A320I263-I281 HydrophobicContact CB-CG2 3.97Å; I263-I281 HydrophobicContact CD1-CG2 3.92Å; I263-I281 HydrophobicContact CG1-CG2 4.47Å; I263-I281 HydrophobicContact CG2-CG2 4.18Å; G266-I281 VanDerWaalsContact CA-CD1 3.49Å; I281-R303 CarbonylContact O-C 3.6Å; I281-R303 WeakPolarHBondContact O-CA 3.36Å; I281-I304 HydrophobicContact CB-CB 4.46Å; I281-I304 HydrophobicContact CG2-CB 4.37Å; I281-I304 HydrophobicContact CG2-CD1 4.2Å; I281-I304 PolarHBondContact O-N 2.73Å; I281-A320 HydrophobicContact CD1-CB 3.73Å; I281-A320 HydrophobicContact CG1-CB 3.87Å; I281-A320 HydrophobicContact CG2-CB 4.14Å
282F87.4Confident69.1Low65 Ų6576.9 Ų76.929%0.28544%0.444SS..EExtended strand (participates in β ladder)trans-131.9145.6-175-58-95.1000112.1I263 I264 G280 D302 R303I263-F282 CarbonylContact C-O 3.59Å; I263-F282 VanDerWaalsContact CA-O 3.25Å; I263-F282 WeakPolarHBondContact CA-O 3.16Å; I264-F282 HydrophobicContact CG1-CB 4.22Å; I264-F282 PolarHBondContact N-O 3.33Å; I264-F282 PolarHBondContact O-N 3.06Å; G280-F282 WeakPolarHBondContact O-CD2 3.43Å; G280-F282 WeakPolarHBondContact O-CE2 3.36Å; F282-D302 WeakPolarHBondContact CA-O 3.4Å; F282-R303 HydrophobicContact CD1-CB 3.71Å; F282-R303 HydrophobicContact CD1-CG 4.06Å; F282-R303 HydrophobicContact CE1-CB 3.63Å; F282-R303 HydrophobicContact CE1-CG 3.74Å; F282-R303 HydrophobicContact CZ-CG 4.13Å
283V87Confident70.8Confident1 Ų172.1 Ų72.11%0.00643%0.425CS..EExtended strand (participates in β ladder)trans-75.4122.8172.4-178.80000110.1F261 N262 I286 L298 Q299 H301 D302 I304F261-V283 HydrophobicContact CB-CG1 4.4Å; F261-V283 HydrophobicContact CD2-CG1 4.35Å; F261-V283 HydrophobicContact CD2-CG2 4.19Å; N262-V283 WeakPolarHBondContact O-CA 3.3Å; V283-I286 HydrophobicContact CG1-CD1 4.08Å; V283-I286 HydrophobicContact CG1-CG1 3.75Å; V283-L298 HydrophobicContact CG2-CD1 4.27Å; V283-L298 HydrophobicContact CG2-CD2 4.07Å; V283-Q299 WeakPolarHBondContact CB-O 3.39Å; V283-H301 PolarHBondContact O-N 3.25Å; V283-D302 HydrophobicContact CG2-CB 4.14Å; V283-D302 PolarHBondContact N-O 3.13Å; V283-I304 HydrophobicContact CG2-CD1 3.94Å; V283-I304 HydrophobicContact CG2-CG1 4.3Å
284S85.9Confident72.2Confident31 Ų3167.8 Ų67.822%0.21740%0.404CS..EExtended strand (participates in β ladder)trans-99.4-34.7-177.561.70000114.2N262 I300N262-S284 WeakPolarHBondContact CB-OG 3.48Å; N262-S284 PolarHBondContact O-N 3.34Å; N262-S284 PolarHBondContact O-OG 3.16Å; S284-I300 WeakPolarHBondContact O-CG2 3.1Å
285K83.9Confident73.1Confident138 Ų13869.8 Ų69.860%0.641%0.408SS*.EExtended strand (participates in β ladder)trans-151149-179.8-63.5-172178.6-175.10109.6F261 N262F261-K285 CarbonylContact C-O 3.58Å; F261-K285 WeakPolarHBondContact CA-O 3.11Å; N262-K285 HydrophobicContact CB-CB 4.36Å; N262-K285 PolarHBondContact N-O 2.83Å
286I85.8Confident74.4Confident29 Ų2969.9 Ų69.915%0.14941%0.409CS..EExtended strand (participates in β ladder)trans-124150.6171-56.7-178000106.9F261 V283 A292 A293 L298 I300F261-I286 HydrophobicContact CB-CG1 4.1Å; V283-I286 HydrophobicContact CG1-CD1 4.08Å; V283-I286 HydrophobicContact CG1-CG1 3.75Å; I286-A292 HydrophobicContact CG2-CB 4.19Å; I286-A293 HydrophobicContact CG2-CB 3.8Å; I286-L298 HydrophobicContact CD1-CB 3.87Å; I286-L298 WeakPolarHBondContact CD1-O 3.36Å; I286-I300 HydrophobicContact CD1-CG1 4.46Å; I286-I300 HydrophobicContact CG1-CG1 4.18Å
287V84.7Confident76.1Confident73 Ų7364.7 Ų64.744%0.44237%0.374SS..  trans-93.7125.2176179.30000108.2G260 T289 G290 A293G260-V287 PolarHBondContact O-N 3.23Å; V287-T289 PolarHBondContact O-N 2.9Å; V287-G290 PolarHBondContact O-N 2.87Å; V287-A293 WeakPolarHBondContact O-CB 3.27Å
288D70.5Confident77.8Confident155 Ų15559.5 Ų59.583%0.82934%0.337SS*.THydrogen-bonded Turntrans-67.1-0.9-165.6-51.7-65.2000115.9
289T72.4Confident79.2Confident139 Ų13960.6 Ų60.685%0.85333%0.334SS*.THydrogen-bonded Turntrans-130.212.3170.964.90000113V287V287-T289 PolarHBondContact O-N 2.9Å
290G76.4Confident80Confident9 Ų961 Ų619%0.09334%0.337CS..SBendtrans-87.2166.1-175.800000114V287 A292 A293V287-G290 PolarHBondContact O-N 2.87Å; G290-A292 VanDerWaalsContact C-N 3.27Å; G290-A292 PolarHBondContact O-N 2.95Å; G290-A293 WeakPolarHBondContact O-CB 3.47Å; G290-A293 PolarHBondContact O-N 2.85Å
291P78.5Confident80.2Confident9 Ų968.3 Ų68.36%0.05837%0.37CS..G310 helixtrans-55.5-36.9-178.9-26.332.5000115H253 D255 A293 K294H253-P291 WeakPolarHBondContact O-CB 3.29Å; H253-P291 WeakPolarHBondContact O-CG 3.29Å; D255-P291 HydrophobicContact CB-CG 3.81Å; P291-A293 VanDerWaalsContact C-N 3.27Å; P291-A293 PolarHBondContact O-N 3.42Å; P291-K294 WeakPolarHBondContact O-CG 3.44Å; P291-K294 PolarHBondContact O-N 2.92Å
292A80.4Confident80.3Confident0 Ų068.4 Ų68.40%037%0.371CS..G310 helixtrans-71.4-14.5177.500000115L259 F261 I286 G290 L298L259-A292 VanDerWaalsContact O-CB 3.25Å; L259-A292 WeakPolarHBondContact O-CB 3.19Å; L259-A292 PolarHBondContact O-N 2.96Å; F261-A292 HydrophobicContact CB-CB 3.96Å; F261-A292 HydrophobicContact CD1-CB 3.68Å; F261-A292 HydrophobicContact CG-CB 4.17Å; I286-A292 HydrophobicContact CG2-CB 4.19Å; G290-A292 VanDerWaalsContact C-N 3.27Å; G290-A292 PolarHBondContact O-N 2.95Å; A292-L298 HydrophobicContact CB-CB 4.35Å; A292-L298 HydrophobicContact CB-CD1 4.11Å; A292-L298 PolarHBondContact O-N 2.99Å; A292-L298 VanDerWaalsContact O-N 3.12Å
293A79.3Confident80.3Confident46 Ų4668.8 Ų68.838%0.3837%0.37SS..G310 helixtrans-90.9-2.7178.500000114I286 V287 G290 P291I286-A293 HydrophobicContact CG2-CB 3.8Å; V287-A293 WeakPolarHBondContact O-CB 3.27Å; G290-A293 WeakPolarHBondContact O-CB 3.47Å; G290-A293 PolarHBondContact O-N 2.85Å; P291-A293 VanDerWaalsContact C-N 3.27Å; P291-A293 PolarHBondContact O-N 3.42Å
294K77.9Confident80.3Confident108 Ų10868.7 Ų68.747%0.4737%0.37SS..SBendtrans-63155.1176.5-66.7175.2-177.7171.30110.6D255 P291 G296 G297D255-K294 IonicContact OD1-NZ 2.73Å; D255-K294 WeakPolarHBondContact OD2-CE 3.39Å; D255-K294 IonicContact OD2-NZ 3.78Å; D255-K294 PolarHBondContact OD2-NZ 3.3Å; P291-K294 WeakPolarHBondContact O-CG 3.44Å; P291-K294 PolarHBondContact O-N 2.92Å; K294-G296 PolarHBondContact O-N 2.88Å; K294-G297 WeakPolarHBondContact O-CA 3.42Å; K294-G297 PolarHBondContact O-N 2.67Å
295E64.4Low80.4Confident208 Ų20869.2 Ų69.297%0.97237%0.37SS*.THydrogen-bonded Turntrans-57.9128.9179.1-169.9173-16300110.7
296G68Low80.6Confident63 Ų6365 Ų6565%0.64935%0.352SS*.THydrogen-bonded Turntrans81.310.2-169.400000115.3L250 K294L250-G296 WeakPolarHBondContact CD2-O 3.47Å; K294-G296 PolarHBondContact O-N 2.88Å
297G80.8Confident80.8Confident9 Ų963.7 Ų63.79%0.09335%0.345CS..  trans-80.9-163.417800000115.9K294 R337K294-G297 WeakPolarHBondContact O-CA 3.42Å; K294-G297 PolarHBondContact O-N 2.67Å; G297-R337 PolarHBondContact O-NH2 2.96Å
298L86.3Confident80.8Confident8 Ų863 Ų634%0.04234%0.34CS..  trans-70.9159.3175.9-73.7166.2000110.7L250 L252 F261 V283 I286 A292 D302 V335L250-L298 HydrophobicContact CD1-CD2 3.52Å; L250-L298 HydrophobicContact CD1-CG 3.97Å; L252-L298 HydrophobicContact CD1-CD1 3.84Å; L252-L298 HydrophobicContact CD1-CG 4.41Å; F261-L298 HydrophobicContact CD1-CD1 3.67Å; F261-L298 HydrophobicContact CD2-CD1 3.78Å; F261-L298 HydrophobicContact CE1-CD1 3.66Å; F261-L298 HydrophobicContact CE2-CD1 3.77Å; F261-L298 HydrophobicContact CG-CD1 3.73Å; F261-L298 HydrophobicContact CZ-CD1 3.72Å; V283-L298 HydrophobicContact CG2-CD1 4.27Å; V283-L298 HydrophobicContact CG2-CD2 4.07Å; I286-L298 HydrophobicContact CD1-CB 3.87Å; I286-L298 WeakPolarHBondContact CD1-O 3.36Å; A292-L298 HydrophobicContact CB-CB 4.35Å; A292-L298 HydrophobicContact CB-CD1 4.11Å; A292-L298 PolarHBondContact O-N 2.99Å; A292-L298 VanDerWaalsContact O-N 3.12Å; L298-D302 HydrophobicContact CD2-CB 4.49Å; L298-V335 HydrophobicContact CD2-CG1 3.67Å
299Q83.1Confident81.1Confident103 Ų10358.5 Ų58.548%0.48133%0.33SS..  trans-129154.7170.3-71.4-177.2-11.200110.5V283 D302 R337V283-Q299 WeakPolarHBondContact CB-O 3.39Å; Q299-D302 PolarHBondContact N-OD2 2.87Å; Q299-D302 VanDerWaalsContact O-CB 3.3Å; Q299-D302 WeakPolarHBondContact O-CB 3.13Å; Q299-D302 PolarHBondContact O-N 3.28Å; Q299-D302 VanDerWaalsContact O-N 3.12Å; Q299-R337 VanDerWaalsContact OE1-CD 3.29Å
300I83.3Confident81.6Confident85 Ų8556.7 Ų56.744%0.43631%0.31SS..THydrogen-bonded Turntrans-62.6138.9174.7-57.7175.9000108.4S284 I286 D302S284-I300 WeakPolarHBondContact O-CG2 3.1Å; I286-I300 HydrophobicContact CD1-CG1 4.46Å; I286-I300 HydrophobicContact CG1-CG1 4.18Å; I300-D302 VanDerWaalsContact C-N 3.3Å; I300-D302 PolarHBondContact O-N 2.87Å
301H82.5Confident82Confident156 Ų15661.1 Ų61.172%0.72233%0.331SS*.THydrogen-bonded Turntrans70.76.3-170.6-44.9-65.2000116.8V283 R303V283-H301 PolarHBondContact O-N 3.25Å; H301-R303 PolarHBondContact O-N 2.99Å
302D87.7Confident82.2Confident2 Ų261 Ų611%0.01133%0.33CS..PPolyproline II helixtrans-59128.6163.2-82.1-18.1000110F282 V283 L298 Q299 I300 V335 R337F282-D302 WeakPolarHBondContact CA-O 3.4Å; V283-D302 HydrophobicContact CG2-CB 4.14Å; V283-D302 PolarHBondContact N-O 3.13Å; L298-D302 HydrophobicContact CD2-CB 4.49Å; Q299-D302 PolarHBondContact N-OD2 2.87Å; Q299-D302 VanDerWaalsContact O-CB 3.3Å; Q299-D302 WeakPolarHBondContact O-CB 3.13Å; Q299-D302 PolarHBondContact O-N 3.28Å; Q299-D302 VanDerWaalsContact O-N 3.12Å; I300-D302 VanDerWaalsContact C-N 3.3Å; I300-D302 PolarHBondContact O-N 2.87Å; D302-V335 HydrophobicContact CB-CB 4.08Å; D302-V335 HydrophobicContact CB-CG1 4.22Å; D302-V335 HydrophobicContact CB-CG2 4.28Å; D302-R337 WeakPolarHBondContact OD1-CB 3.5Å; D302-R337 VanDerWaalsContact OD1-CG 3.31Å; D302-R337 WeakPolarHBondContact OD1-CG 3.29Å; D302-R337 IonicContact OD1-CZ 2.64Å; D302-R337 IonicContact OD1-NE 2.71Å; D302-R337 PolarHBondContact OD1-NE 3.42Å; D302-R337 IonicContact OD1-NH2 3.49Å; D302-R337 IonicContact OD2-CZ 4Å; D302-R337 IonicContact OD2-NE 2.65Å; D302-R337 PolarHBondContact OD2-NE 3.46Å; D302-R337 IonicContact OD2-NH2 3.87Å; D302-R337 PolarHBondContact OD2-NH2 3.32Å
303R87.3Confident82.1Confident72 Ų7262.2 Ų62.227%0.27234%0.339SS..EExtended strand (participates in β ladder)trans-88.3120170.6-178.7-176.9170.8143.97.5109.1E279 I281 F282 H301 S313 V335 L336E279-R303 PolarHBondContact O-NH1 3.11Å; E279-R303 VanDerWaalsContact O-NH1 3.11Å; E279-R303 PolarHBondContact O-NH2 2.87Å; I281-R303 CarbonylContact O-C 3.6Å; I281-R303 WeakPolarHBondContact O-CA 3.36Å; F282-R303 HydrophobicContact CD1-CB 3.71Å; F282-R303 HydrophobicContact CD1-CG 4.06Å; F282-R303 HydrophobicContact CE1-CB 3.63Å; F282-R303 HydrophobicContact CE1-CG 3.74Å; F282-R303 HydrophobicContact CZ-CG 4.13Å; H301-R303 PolarHBondContact O-N 2.99Å; R303-S313 PolarHBondContact NH2-O 3.24Å; R303-V335 CarbonylContact O-C 3.37Å; R303-V335 WeakPolarHBondContact O-CA 3.28Å; R303-V335 WeakPolarHBondContact O-CB 3.08Å; R303-L336 HydrophobicContact CB-CB 4.36Å; R303-L336 PolarHBondContact N-O 2.9Å; R303-L336 VanDerWaalsContact N-O 3.08Å; R303-L336 PolarHBondContact O-N 3.4Å
304I88.3Confident82Confident0 Ų067.7 Ų67.70%035%0.349CS..EExtended strand (participates in β ladder)trans-79.7125178.9-61.9163000109.1F261 I263 I281 V283 V307 L312 F324 V333 V335F261-I304 HydrophobicContact CE2-CD1 4.13Å; I263-I304 HydrophobicContact CG2-CD1 3.69Å; I281-I304 HydrophobicContact CB-CB 4.46Å; I281-I304 HydrophobicContact CG2-CB 4.37Å; I281-I304 HydrophobicContact CG2-CD1 4.2Å; I281-I304 PolarHBondContact O-N 2.73Å; V283-I304 HydrophobicContact CG2-CD1 3.94Å; V283-I304 HydrophobicContact CG2-CG1 4.3Å; I304-V307 HydrophobicContact CG2-CG2 4.12Å; I304-L312 HydrophobicContact CG2-CD1 4.09Å; I304-F324 HydrophobicContact CD1-CE2 3.91Å; I304-F324 HydrophobicContact CD1-CZ 3.92Å; I304-F324 HydrophobicContact CG2-CE2 4.45Å; I304-F324 HydrophobicContact CG2-CZ 4.25Å; I304-V333 HydrophobicContact CG1-CG1 4.48Å; I304-V333 HydrophobicContact CG2-CG1 4.03Å; I304-V335 HydrophobicContact CG1-CG1 4.08Å
305I87.9Confident82Confident41 Ų4163 Ų6321%0.2133%0.331CS..EExtended strand (participates in β ladder)trans-98.2-46.7176.4-39.1172.8000110.1L312 S313 Q334 L336I305-L312 WeakPolarHBondContact O-CA 3.4Å; I305-L312 PolarHBondContact O-N 3.31Å; I305-S313 PolarHBondContact O-N 3.44Å; I305-Q334 HydrophobicContact CB-CB 4.4Å; I305-Q334 PolarHBondContact N-O 3.13Å; I305-L336 HydrophobicContact CD1-CD2 3.68Å; I305-L336 HydrophobicContact CD1-CG 3.65Å; I305-L336 HydrophobicContact CG1-CG 4Å
306E87.5Confident83Confident50 Ų5054.5 Ų54.523%0.23429%0.293CS..EExtended strand (participates in β ladder)trans-148.2148.3-168-160.9-158.186.400111.5G309 K310 V333 Q334E306-G309 WeakPolarHBondContact OE1-CA 3.29Å; E306-G309 PolarHBondContact OE1-N 2.79Å; E306-G309 VanDerWaalsContact OE1-N 3.09Å; E306-K310 CarbonylContact C-O 3.59Å; E306-K310 VanDerWaalsContact CA-O 3.28Å; E306-K310 WeakPolarHBondContact CA-O 3.47Å; E306-K310 VanDerWaalsContact CG-O 3.27Å; E306-K310 WeakPolarHBondContact CG-O 3.46Å; E306-V333 CarbonylContact O-C 3.56Å; E306-V333 WeakPolarHBondContact O-CA 3.4Å; E306-Q334 HydrophobicContact CB-CB 3.93Å; E306-Q334 HydrophobicContact CB-CG 4.12Å; E306-Q334 PolarHBondContact N-O 3.07Å; E306-Q334 PolarHBondContact O-N 3.48Å; E306-Q334 PolarHBondContact OE1-NE2 3.05Å; E306-Q334 PolarHBondContact OE2-NE2 3.27Å
307V89.1Confident83.8Confident1 Ų155 Ų551%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-134.1116.6172.1178.10000109.7I304 G309 K310 L312 F324 A327 I331 V332 V333I304-V307 HydrophobicContact CG2-CG2 4.12Å; V307-G309 VanDerWaalsContact C-N 3.31Å; V307-G309 PolarHBondContact O-N 3.49Å; V307-K310 PolarHBondContact N-O 3.44Å; V307-K310 WeakPolarHBondContact O-CB 3.36Å; V307-K310 PolarHBondContact O-N 2.84Å; V307-L312 HydrophobicContact CB-CD1 4.2Å; V307-L312 HydrophobicContact CG2-CD1 3.54Å; V307-F324 HydrophobicContact CB-CE1 4.43Å; V307-F324 HydrophobicContact CG1-CD1 4.03Å; V307-F324 HydrophobicContact CG1-CE1 3.99Å; V307-F324 HydrophobicContact CG2-CD1 4.14Å; V307-F324 HydrophobicContact CG2-CD2 4.39Å; V307-F324 HydrophobicContact CG2-CE1 3.48Å; V307-F324 VanDerWaalsContact CG2-CE1 3.48Å; V307-F324 HydrophobicContact CG2-CE2 3.77Å; V307-F324 HydrophobicContact CG2-CZ 3.27Å; V307-A327 HydrophobicContact CG1-CB 4.08Å; V307-I331 HydrophobicContact CG1-CG2 3.97Å; V307-V332 CarbonylContact C-O 3.59Å; V307-V332 WeakPolarHBondContact CA-O 3.14Å; V307-V333 HydrophobicContact CG2-CG1 4.24Å; V307-V333 HydrophobicContact CG2-CG2 4.46Å
308N84.9Confident83.9Confident60 Ų6060 Ų6032%0.32130%0.303SS..THydrogen-bonded Turntrans45.848.3-178.3-79.5-3.2000113.7K310 K328 P330 V332N308-K310 VanDerWaalsContact C-N 3.27Å; N308-K310 PolarHBondContact O-N 3.49Å; N308-K328 PolarHBondContact ND2-O 3.47Å; N308-P330 PolarHBondContact OD1-O 2.95Å; N308-V332 PolarHBondContact N-O 3.33Å; N308-V332 WeakPolarHBondContact OD1-CB 3.43Å; N308-V332 PolarHBondContact OD1-N 3.47Å; N308-V332 PolarHBondContact OD1-O 2.81Å
309G76.5Confident83.9Confident60 Ų6064.9 Ų64.962%0.61933%0.326SS*.THydrogen-bonded Turntrans76.93.5-179.200000115.4E306 V307E306-G309 WeakPolarHBondContact OE1-CA 3.29Å; E306-G309 PolarHBondContact OE1-N 2.79Å; E306-G309 VanDerWaalsContact OE1-N 3.09Å; V307-G309 VanDerWaalsContact C-N 3.31Å; V307-G309 PolarHBondContact O-N 3.49Å
310K83.5Confident84.1Confident101 Ų10160 Ų6044%0.43930%0.303SS..EExtended strand (participates in β ladder)trans-95.1115.5170.4-60.5179.8179.6179.80109.9E306 V307 N308 L312 A323 T326E306-K310 CarbonylContact C-O 3.59Å; E306-K310 VanDerWaalsContact CA-O 3.28Å; E306-K310 WeakPolarHBondContact CA-O 3.47Å; E306-K310 VanDerWaalsContact CG-O 3.27Å; E306-K310 WeakPolarHBondContact CG-O 3.46Å; V307-K310 PolarHBondContact N-O 3.44Å; V307-K310 WeakPolarHBondContact O-CB 3.36Å; V307-K310 PolarHBondContact O-N 2.84Å; N308-K310 VanDerWaalsContact C-N 3.27Å; N308-K310 PolarHBondContact O-N 3.49Å; K310-L312 PolarHBondContact O-N 2.88Å; K310-A323 HydrophobicContact CD-CB 4.17Å; K310-T326 PolarHBondContact NZ-OG1 3.24Å
311D84.3Confident84.3Confident102 Ų10257.8 Ų57.855%0.54529%0.294SS..EExtended strand (participates in β ladder)trans-64129.3171179.624000111S313D311-S313 VanDerWaalsContact CG-OG 3.26Å; D311-S313 WeakPolarHBondContact OD1-CB 3.21Å; D311-S313 PolarHBondContact OD1-N 3.43Å; D311-S313 PolarHBondContact OD1-OG 2.87Å; D311-S313 PolarHBondContact OD2-OG 2.98Å
312L82.8Confident84.4Confident7 Ų754.5 Ų54.54%0.03728%0.278CS..  trans-120.10.2175.7-64.1-175.1000112.5I304 I305 V307 K310 R314 A315 A320 A323 F324I304-L312 HydrophobicContact CG2-CD1 4.09Å; I305-L312 WeakPolarHBondContact O-CA 3.4Å; I305-L312 PolarHBondContact O-N 3.31Å; V307-L312 HydrophobicContact CB-CD1 4.2Å; V307-L312 HydrophobicContact CG2-CD1 3.54Å; K310-L312 PolarHBondContact O-N 2.88Å; L312-R314 PolarHBondContact O-N 3.14Å; L312-A315 HydrophobicContact CB-CB 4.3Å; L312-A315 HydrophobicContact CD2-CB 3.83Å; L312-A315 PolarHBondContact O-N 2.82Å; L312-A315 VanDerWaalsContact O-N 3.15Å; L312-A320 HydrophobicContact CD1-CB 3.99Å; L312-A320 HydrophobicContact CD2-CB 4.28Å; L312-A323 HydrophobicContact CD1-CB 4.07Å; L312-A323 HydrophobicContact CD2-CB 3.86Å; L312-A323 HydrophobicContact CG-CB 4.43Å; L312-F324 HydrophobicContact CD1-CE2 4.36Å
313S77.9Confident84.3Confident25 Ų2554.6 Ų54.618%0.17528%0.28CS..THydrogen-bonded Turntrans-52.5-28.1-177.667.30000113.8R303 I305 D311R303-S313 PolarHBondContact NH2-O 3.24Å; I305-S313 PolarHBondContact O-N 3.44Å; D311-S313 VanDerWaalsContact CG-OG 3.26Å; D311-S313 WeakPolarHBondContact OD1-CB 3.21Å; D311-S313 PolarHBondContact OD1-N 3.43Å; D311-S313 PolarHBondContact OD1-OG 2.87Å; D311-S313 PolarHBondContact OD2-OG 2.98Å
314R77.6Confident84.3Confident160 Ų16052 Ų5260%0.60427%0.27SS*.THydrogen-bonded Turntrans-1245.3-176.1-67.2-158.9111164.57.7114.9R267 E279 L312R267-R314 VanDerWaalsContact NH2-CB 3.33Å; R267-R314 PolarHBondContact NH2-O 3.04Å; E279-R314 IonicContact OE1-CZ 3.13Å; E279-R314 VanDerWaalsContact OE1-CZ 3.3Å; E279-R314 IonicContact OE1-NE 2.62Å; E279-R314 PolarHBondContact OE1-NE 2.8Å; E279-R314 IonicContact OE1-NH2 3.39Å; E279-R314 PolarHBondContact OE1-NH2 2.89Å; E279-R314 IonicContact OE2-NH2 2.8Å; E279-R314 PolarHBondContact OE2-NH2 3.27Å; L312-R314 PolarHBondContact O-N 3.14Å
315A79.4Confident84.1Confident11 Ų1157.3 Ų57.39%0.09129%0.294CS..  trans-72164.1-172.100000114.4G266 R267 L312 Q319G266-A315 WeakPolarHBondContact CA-O 3.16Å; R267-A315 PolarHBondContact N-O 2.85Å; R267-A315 VanDerWaalsContact N-O 3.12Å; L312-A315 HydrophobicContact CB-CB 4.3Å; L312-A315 HydrophobicContact CD2-CB 3.83Å; L312-A315 PolarHBondContact O-N 2.82Å; L312-A315 VanDerWaalsContact O-N 3.15Å; A315-Q319 HydrophobicContact CB-CB 4.08Å
316T83.6Confident83.8Confident28 Ų2859 Ų5917%0.17231%0.306CS..  trans-78.9164.9164.773.70000111D318 Q319 A320T316-D318 PolarHBondContact O-N 3.01Å; T316-Q319 PolarHBondContact O-N 3.49Å; T316-Q319 VanDerWaalsContact OG1-CG 3.27Å; T316-Q319 WeakPolarHBondContact OG1-CG 3.14Å; T316-Q319 PolarHBondContact OG1-N 3.4Å; T316-A320 PolarHBondContact O-N 3.02Å; T316-A320 VanDerWaalsContact O-N 3.12Å
317H85.6Confident83.6Confident73 Ų7357.2 Ų57.234%0.33830%0.3SS..Hα-helixtrans-55.1-50.2177.2-173.382.9000112I263 G265 Q319 A320 V321I263-H317 PolarHBondContact O-CE1 3.35Å; G265-H317 PolarHBondContact O-ND1 2.79Å; H317-Q319 VanDerWaalsContact C-N 3.35Å; H317-Q319 PolarHBondContact O-N 3.43Å; H317-A320 WeakPolarHBondContact O-CB 3.44Å; H317-A320 PolarHBondContact O-N 2.97Å; H317-V321 WeakPolarHBondContact O-CG2 3.3Å; H317-V321 PolarHBondContact O-N 3.01Å
318D83.7Confident83.2Confident114 Ų11465.7 Ų65.761%0.6134%0.336SS*.Hα-helixtrans-66.2-36.1-177.5-54.1-56.1000112.3T316 A320 V321 E322T316-D318 PolarHBondContact O-N 3.01Å; D318-A320 VanDerWaalsContact C-N 3.34Å; D318-A320 PolarHBondContact O-N 3.01Å; D318-V321 PolarHBondContact O-N 2.9Å; D318-E322 WeakPolarHBondContact O-CG 3.29Å; D318-E322 PolarHBondContact O-N 3.46Å
319Q85.3Confident82.8Confident112 Ų11268 Ų6852%0.52335%0.345SS..Hα-helixtrans-62.5-40.4174.3-73.8169-5.200111.8A315 T316 H317 A323A315-Q319 HydrophobicContact CB-CB 4.08Å; T316-Q319 PolarHBondContact O-N 3.49Å; T316-Q319 VanDerWaalsContact OG1-CG 3.27Å; T316-Q319 WeakPolarHBondContact OG1-CG 3.14Å; T316-Q319 PolarHBondContact OG1-N 3.4Å; H317-Q319 VanDerWaalsContact C-N 3.35Å; H317-Q319 PolarHBondContact O-N 3.43Å; Q319-A323 WeakPolarHBondContact O-CB 3.43Å; Q319-A323 PolarHBondContact O-N 3.45Å
320A86.8Confident83Confident0 Ų068.5 Ų68.50%034%0.337CS..Hα-helixtrans-67.3-42174.700000112I263 I281 L312 T316 H317 D318 A323 F324I263-A320 HydrophobicContact CD1-CB 3.78Å; I281-A320 HydrophobicContact CD1-CB 3.73Å; I281-A320 HydrophobicContact CG1-CB 3.87Å; I281-A320 HydrophobicContact CG2-CB 4.14Å; L312-A320 HydrophobicContact CD1-CB 3.99Å; L312-A320 HydrophobicContact CD2-CB 4.28Å; T316-A320 PolarHBondContact O-N 3.02Å; T316-A320 VanDerWaalsContact O-N 3.12Å; H317-A320 WeakPolarHBondContact O-CB 3.44Å; H317-A320 PolarHBondContact O-N 2.97Å; D318-A320 VanDerWaalsContact C-N 3.34Å; D318-A320 PolarHBondContact O-N 3.01Å; A320-A323 WeakPolarHBondContact O-CB 3.43Å; A320-A323 PolarHBondContact O-N 2.99Å; A320-F324 VanDerWaalsContact O-CD2 3.3Å; A320-F324 WeakPolarHBondContact O-CD2 3.44Å; A320-F324 PolarHBondContact O-N 3.27Å; A320-F324 VanDerWaalsContact O-N 3.08Å
321V87.3Confident83.1Confident39 Ų3963.7 Ų63.724%0.23632%0.316CS..Hα-helixtrans-60.2-45.8174.2170.40000111.4I263 H317 D318 F324 K325I263-V321 HydrophobicContact CD1-CG2 4.02Å; H317-V321 WeakPolarHBondContact O-CG2 3.3Å; H317-V321 PolarHBondContact O-N 3.01Å; D318-V321 PolarHBondContact O-N 2.9Å; V321-F324 PolarHBondContact O-N 2.56Å; V321-K325 HydrophobicContact CG1-CD 4.03Å; V321-K325 VanDerWaalsContact CG1-CE 3.44Å; V321-K325 HydrophobicContact CG1-CG 4.46Å; V321-K325 WeakPolarHBondContact O-CG 3.49Å; V321-K325 PolarHBondContact O-N 2.78Å
322E85.4Confident83.1Confident86 Ų8660.9 Ų60.940%0.40230%0.303SS..Hα-helixtrans-68.8-32.1176.8-70.5-51.3136.800112.9D318 K325 T326D318-E322 WeakPolarHBondContact O-CG 3.29Å; D318-E322 PolarHBondContact O-N 3.46Å; E322-K325 PolarHBondContact O-N 2.7Å; E322-K325 WeakPolarHBondContact OE1-CD 3.47Å; E322-K325 WeakPolarHBondContact OE1-CE 3.29Å; E322-K325 IonicContact OE1-NZ 2.73Å; E322-K325 PolarHBondContact OE1-NZ 3.01Å; E322-K325 WeakPolarHBondContact OE2-CD 3.33Å; E322-T326 WeakPolarHBondContact O-CB 3.36Å; E322-T326 WeakPolarHBondContact O-CG2 3.24Å; E322-T326 PolarHBondContact O-N 3.31Å; E322-T326 PolarHBondContact O-OG1 3.38Å
323A86.6Confident83.4Confident5 Ų560.6 Ų60.64%0.04130%0.301CS..Hα-helixtrans-60.4-47171.200000111.5K310 L312 Q319 A320 A327K310-A323 HydrophobicContact CD-CB 4.17Å; L312-A323 HydrophobicContact CD1-CB 4.07Å; L312-A323 HydrophobicContact CD2-CB 3.86Å; L312-A323 HydrophobicContact CG-CB 4.43Å; Q319-A323 WeakPolarHBondContact O-CB 3.43Å; Q319-A323 PolarHBondContact O-N 3.45Å; A320-A323 WeakPolarHBondContact O-CB 3.43Å; A320-A323 PolarHBondContact O-N 2.99Å; A323-A327 WeakPolarHBondContact O-CB 3.4Å; A323-A327 PolarHBondContact O-N 2.99Å
324F86.8Confident83.9Confident16 Ų1662.1 Ų62.17%0.0731%0.306CS..Hα-helixtrans-68.1-36.7175.4-79.3-66.6000113.9L259 F261 I304 V307 L312 A320 V321 I331 V333L259-F324 HydrophobicContact CD1-CB 4.5Å; L259-F324 HydrophobicContact CD1-CD1 3.94Å; F261-F324 HydrophobicContact CE1-CE1 4.45Å; F261-F324 HydrophobicContact CE2-CE2 4.25Å; F261-F324 HydrophobicContact CE2-CZ 4.17Å; F261-F324 HydrophobicContact CZ-CD1 4.03Å; F261-F324 HydrophobicContact CZ-CD2 4.32Å; F261-F324 AromaticContact CZ-CE1 3.68Å; F261-F324 HydrophobicContact CZ-CE1 3.68Å; F261-F324 AromaticContact CZ-CE2 3.99Å; F261-F324 HydrophobicContact CZ-CE2 3.99Å; F261-F324 HydrophobicContact CZ-CG 4.34Å; F261-F324 AromaticContact CZ-CZ 3.65Å; F261-F324 HydrophobicContact CZ-CZ 3.65Å; I304-F324 HydrophobicContact CD1-CE2 3.91Å; I304-F324 HydrophobicContact CD1-CZ 3.92Å; I304-F324 HydrophobicContact CG2-CE2 4.45Å; I304-F324 HydrophobicContact CG2-CZ 4.25Å; V307-F324 HydrophobicContact CB-CE1 4.43Å; V307-F324 HydrophobicContact CG1-CD1 4.03Å; V307-F324 HydrophobicContact CG1-CE1 3.99Å; V307-F324 HydrophobicContact CG2-CD1 4.14Å; V307-F324 HydrophobicContact CG2-CD2 4.39Å; V307-F324 HydrophobicContact CG2-CE1 3.48Å; V307-F324 VanDerWaalsContact CG2-CE1 3.48Å; V307-F324 HydrophobicContact CG2-CE2 3.77Å; V307-F324 HydrophobicContact CG2-CZ 3.27Å; L312-F324 HydrophobicContact CD1-CE2 4.36Å; A320-F324 VanDerWaalsContact O-CD2 3.3Å; A320-F324 WeakPolarHBondContact O-CD2 3.44Å; A320-F324 PolarHBondContact O-N 3.27Å; A320-F324 VanDerWaalsContact O-N 3.08Å; V321-F324 PolarHBondContact O-N 2.56Å; F324-I331 HydrophobicContact CD1-CG2 4.39Å; F324-I331 HydrophobicContact CE1-CG2 4.49Å; F324-V333 HydrophobicContact CE1-CG1 4.48Å; F324-V333 HydrophobicContact CE1-CG2 3.76Å; F324-V333 HydrophobicContact CZ-CG1 4.2Å; F324-V333 HydrophobicContact CZ-CG2 4.3Å
325K83.2Confident84.5Confident113 Ų11354.5 Ų54.549%0.49128%0.277SS..Hα-helixtrans-64-44.5175.1-75.9169.2-179.3171.70112.1R254 V321 E322R254-K325 PolarHBondContact NH1-O 3.21Å; V321-K325 HydrophobicContact CG1-CD 4.03Å; V321-K325 VanDerWaalsContact CG1-CE 3.44Å; V321-K325 HydrophobicContact CG1-CG 4.46Å; V321-K325 WeakPolarHBondContact O-CG 3.49Å; V321-K325 PolarHBondContact O-N 2.78Å; E322-K325 PolarHBondContact O-N 2.7Å; E322-K325 WeakPolarHBondContact OE1-CD 3.47Å; E322-K325 WeakPolarHBondContact OE1-CE 3.29Å; E322-K325 IonicContact OE1-NZ 2.73Å; E322-K325 PolarHBondContact OE1-NZ 3.01Å; E322-K325 WeakPolarHBondContact OE2-CD 3.33Å
326T82.1Confident84.8Confident77 Ų7756.5 Ų56.547%0.47229%0.286SS..Hα-helixtrans-87.8-6.7-174.460.80000114.5K310 E322 K328K310-T326 PolarHBondContact NZ-OG1 3.24Å; E322-T326 WeakPolarHBondContact O-CB 3.36Å; E322-T326 WeakPolarHBondContact O-CG2 3.24Å; E322-T326 PolarHBondContact O-N 3.31Å; E322-T326 PolarHBondContact O-OG1 3.38Å; T326-K328 PolarHBondContact O-N 2.98Å
327A83.9Confident84.8Confident12 Ų1257.1 Ų57.110%0.09929%0.285CS..PPolyproline II helixtrans-64123.8175.600000111.1V307 A323 I331V307-A327 HydrophobicContact CG1-CB 4.08Å; A323-A327 WeakPolarHBondContact O-CB 3.4Å; A323-A327 PolarHBondContact O-N 2.99Å; A327-I331 HydrophobicContact CB-CB 4.45Å; A327-I331 HydrophobicContact CB-CD1 3.92Å; A327-I331 HydrophobicContact CB-CG1 3.76Å; A327-I331 HydrophobicContact CB-CG2 3.96Å
328K79.4Confident84.2Confident178 Ų17861.8 Ų61.877%0.77430%0.3SS*.PPolyproline II helixtrans-73.6152.8168.9-62.5-176.4-179.2-1790110N308 T326 P330N308-K328 PolarHBondContact ND2-O 3.47Å; T326-K328 PolarHBondContact O-N 2.98Å; K328-P330 CarbonylContact O-C 3.48Å; K328-P330 VanDerWaalsContact O-O 3.14Å
329E77.8Confident82.8Confident110 Ų11059.5 Ų59.551%0.51429%0.29SS..SBendtrans-80.3147.7176.9-56.3-163.7122.800112.1R254R254-E329 WeakPolarHBondContact CB-OE1 3.27Å; R254-E329 WeakPolarHBondContact CG-OE1 3.39Å; R254-E329 PolarHBondContact N-OE1 3.26Å
330P79.8Confident81Confident69 Ų6959.8 Ų59.845%0.44830%0.302SS..SBendcis-69.4146.3-7.931.1-35.8000111.9V251 N308 K328 V332V251-P330 HydrophobicContact CG1-CB 3.73Å; N308-P330 PolarHBondContact OD1-O 2.95Å; K328-P330 CarbonylContact O-C 3.48Å; K328-P330 VanDerWaalsContact O-O 3.14Å; P330-V332 PolarHBondContact O-N 3.45Å
331I85.6Confident78.7Confident0 Ų069.6 Ų69.60%034%0.339CS..EExtended strand (participates in β ladder)trans-92.2100.4-179-60.6173.3000109L252 R254 L259 V307 F324 A327 V333L252-I331 HydrophobicContact CB-CB 4.35Å; L252-I331 PolarHBondContact N-O 2.79Å; L252-I331 PolarHBondContact O-N 3.03Å; R254-I331 HydrophobicContact CG-CD1 3.75Å; L259-I331 HydrophobicContact CD1-CD1 4.2Å; L259-I331 HydrophobicContact CD2-CD1 4.27Å; V307-I331 HydrophobicContact CG1-CG2 3.97Å; F324-I331 HydrophobicContact CD1-CG2 4.39Å; F324-I331 HydrophobicContact CE1-CG2 4.49Å; A327-I331 HydrophobicContact CB-CB 4.45Å; A327-I331 HydrophobicContact CB-CD1 3.92Å; A327-I331 HydrophobicContact CB-CG1 3.76Å; A327-I331 HydrophobicContact CB-CG2 3.96Å; I331-V333 HydrophobicContact CG2-CG2 4.08Å
332V85.4Confident76.4Confident44 Ų4474.3 Ų74.327%0.26737%0.368SS..EExtended strand (participates in β ladder)trans-81.6131.1175-174.40000109.5T249 L250 V251 V307 N308 P330T249-V332 HydrophobicContact CG2-CG1 3.42Å; T249-V332 VanDerWaalsContact CG2-CG1 3.42Å; L250-V332 CarbonylContact O-C 3.58Å; L250-V332 WeakPolarHBondContact O-CA 3.43Å; V251-V332 HydrophobicContact CG2-CG2 4.47Å; V307-V332 CarbonylContact C-O 3.59Å; V307-V332 WeakPolarHBondContact CA-O 3.14Å; N308-V332 PolarHBondContact N-O 3.33Å; N308-V332 WeakPolarHBondContact OD1-CB 3.43Å; N308-V332 PolarHBondContact OD1-N 3.47Å; N308-V332 PolarHBondContact OD1-O 2.81Å; P330-V332 PolarHBondContact O-N 3.45Å
333V89.3Confident74.1Confident0 Ų079.1 Ų79.10%039%0.387CS..EExtended strand (participates in β ladder)trans-130127.4-178.8-171.30000109.5T249 L250 L252 I304 E306 V307 F324 I331 V335T249-V333 WeakPolarHBondContact CA-O 3.16Å; L250-V333 PolarHBondContact N-O 2.96Å; L250-V333 PolarHBondContact O-N 3.23Å; L252-V333 HydrophobicContact CD1-CG2 3.89Å; L252-V333 HydrophobicContact CG-CG2 4.32Å; I304-V333 HydrophobicContact CG1-CG1 4.48Å; I304-V333 HydrophobicContact CG2-CG1 4.03Å; E306-V333 CarbonylContact O-C 3.56Å; E306-V333 WeakPolarHBondContact O-CA 3.4Å; V307-V333 HydrophobicContact CG2-CG1 4.24Å; V307-V333 HydrophobicContact CG2-CG2 4.46Å; F324-V333 HydrophobicContact CE1-CG1 4.48Å; F324-V333 HydrophobicContact CE1-CG2 3.76Å; F324-V333 HydrophobicContact CZ-CG1 4.2Å; F324-V333 HydrophobicContact CZ-CG2 4.3Å; I331-V333 HydrophobicContact CG2-CG2 4.08Å; V333-V335 HydrophobicContact CG1-CG1 3.92Å
334Q87.7Confident71.5Confident58 Ų5887.1 Ų87.127%0.27143%0.426SS..EExtended strand (participates in β ladder)trans-97.5129.6170.2-59.1-172.549.600110L248 T249 I305 E306L248-Q334 WeakPolarHBondContact O-CA 3.45Å; T249-Q334 HydrophobicContact CG2-CG 4.44Å; I305-Q334 HydrophobicContact CB-CB 4.4Å; I305-Q334 PolarHBondContact N-O 3.13Å; E306-Q334 HydrophobicContact CB-CB 3.93Å; E306-Q334 HydrophobicContact CB-CG 4.12Å; E306-Q334 PolarHBondContact N-O 3.07Å; E306-Q334 PolarHBondContact O-N 3.48Å; E306-Q334 PolarHBondContact OE1-NE2 3.05Å; E306-Q334 PolarHBondContact OE2-NE2 3.27Å
335V89.3Confident68.9Low0 Ų096.3 Ų96.30%047%0.466CS..EExtended strand (participates in β ladder)trans-129.1151178.6-55.90000112.4S247 L248 L250 L298 D302 R303 I304 V333S247-V335 CarbonylContact C-O 3.56Å; S247-V335 VanDerWaalsContact CA-O 3.32Å; S247-V335 WeakPolarHBondContact CA-O 3.38Å; L248-V335 HydrophobicContact CB-CG2 3.96Å; L248-V335 PolarHBondContact N-O 3.27Å; L248-V335 PolarHBondContact O-N 2.86Å; L250-V335 HydrophobicContact CD1-CG1 4.19Å; L250-V335 HydrophobicContact CD1-CG2 3.79Å; L250-V335 HydrophobicContact CG-CG2 4.26Å; L298-V335 HydrophobicContact CD2-CG1 3.67Å; D302-V335 HydrophobicContact CB-CB 4.08Å; D302-V335 HydrophobicContact CB-CG1 4.22Å; D302-V335 HydrophobicContact CB-CG2 4.28Å; R303-V335 CarbonylContact O-C 3.37Å; R303-V335 WeakPolarHBondContact O-CA 3.28Å; R303-V335 WeakPolarHBondContact O-CB 3.08Å; I304-V335 HydrophobicContact CG1-CG1 4.08Å; V333-V335 HydrophobicContact CG1-CG1 3.92Å
336L86.2Confident66.4Low52 Ų5296.4 Ų96.427%0.27248%0.477SS..EExtended strand (participates in β ladder)trans-93.3122.1160-62.7-179.7000109.2R303 I305R303-L336 HydrophobicContact CB-CB 4.36Å; R303-L336 PolarHBondContact N-O 2.9Å; R303-L336 VanDerWaalsContact N-O 3.08Å; R303-L336 PolarHBondContact O-N 3.4Å; I305-L336 HydrophobicContact CD1-CD2 3.68Å; I305-L336 HydrophobicContact CD1-CG 3.65Å; I305-L336 HydrophobicContact CG1-CG 4Å
337R83.9Confident64.2Low41 Ų4198.2 Ų98.216%0.15549%0.49CS..EExtended strand (participates in β ladder)trans-108.7131.9172-166.9169.5-70.5172.43.2109.8K246 L248 G297 Q299 D302K246-R337 PolarHBondContact N-O 3.16Å; K246-R337 PolarHBondContact O-N 2.89Å; L248-R337 HydrophobicContact CD1-CB 3.43Å; L248-R337 VanDerWaalsContact CD1-CB 3.43Å; L248-R337 HydrophobicContact CD1-CG 4.25Å; G297-R337 PolarHBondContact O-NH2 2.96Å; Q299-R337 VanDerWaalsContact OE1-CD 3.29Å; D302-R337 WeakPolarHBondContact OD1-CB 3.5Å; D302-R337 VanDerWaalsContact OD1-CG 3.31Å; D302-R337 WeakPolarHBondContact OD1-CG 3.29Å; D302-R337 IonicContact OD1-CZ 2.64Å; D302-R337 IonicContact OD1-NE 2.71Å; D302-R337 PolarHBondContact OD1-NE 3.42Å; D302-R337 IonicContact OD1-NH2 3.49Å; D302-R337 IonicContact OD2-CZ 4Å; D302-R337 IonicContact OD2-NE 2.65Å; D302-R337 PolarHBondContact OD2-NE 3.46Å; D302-R337 IonicContact OD2-NH2 3.87Å; D302-R337 PolarHBondContact OD2-NH2 3.32Å
338R72.4Confident61.7Low171 Ų171104 Ų10465%0.64553%0.526SS*.EExtended strand (participates in β ladder)trans-81.3119170.8-79.7179.1157.3177.9-8.4108.8E243 T245 P340E243-R338 VanDerWaalsContact CD-NH2 3.28Å; E243-R338 IonicContact OE1-CZ 3.61Å; E243-R338 IonicContact OE1-NH2 3.63Å; E243-R338 PolarHBondContact OE1-NH2 3.32Å; E243-R338 IonicContact OE2-CZ 3.61Å; E243-R338 IonicContact OE2-NE 3.53Å; E243-R338 PolarHBondContact OE2-NE 3.22Å; E243-R338 IonicContact OE2-NH2 2.77Å; E243-R338 PolarHBondContact OE2-NH2 3.03Å; T245-R338 HydrophobicContact CG2-CG 4.18Å; R338-P340 WeakPolarHBondContact O-CD 3.4Å
339T55.1Low59.4Low66 Ų66101 Ų10141%0.40553%0.527SS..PPolyproline II helixtrans-80.7119.2173.950.80000110.5K246 R341K246-T339 HydrophobicContact CD-CG2 4.07Å; T339-R341 PolarHBondContact O-N 3.04Å
340P46.4Very low57.3Low119 Ų119105 Ų10577%0.77355%0.546SS*.PPolyproline II helixtrans-67.8125.317627.8-33.3000110.1R338 T342R338-P340 WeakPolarHBondContact O-CD 3.4Å; P340-T342 PolarHBondContact O-N 3.23Å
341R40.1Very low54.9Low206 Ų206107 Ų10778%0.77756%0.562SS**  trans-74.1108.6171.3-85.4-173.2170.4172.40.2109.6E244 T339 K343E244-R341 IonicContact OE1-NH2 3.45Å; T339-R341 PolarHBondContact O-N 3.04Å; R341-K343 PolarHBondContact O-N 3.17Å
342T38.3Very low52.3Low137 Ų137114.5 Ų114.584%0.8460%0.597SS**  trans-62.295.2165.948.30000109.9P340 M344P340-T342 PolarHBondContact O-N 3.23Å; T342-M344 PolarHBondContact O-N 2.91Å
343K36.5Very low49.8Very low187 Ų187121.1 Ų121.181%0.81363%0.63SS**  trans-79.7113.8166.9-72.5-173175.8-176.10108.5R341R341-K343 PolarHBondContact O-N 3.17Å
344M31.5Very low47.2Very low174 Ų174126.3 Ų126.386%0.85766%0.661SS**  trans-69.3140.3165.6-64.817868.900109.1T342T342-M344 PolarHBondContact O-N 2.91Å
345F32.7Very low44.3Very low208 Ų208130.5 Ų130.591%0.91269%0.685SS**  trans-85.9118.4168.5-101.5-92.2000109.7
346T31.1Very low41.5Very low116 Ų116136.7 Ų136.771%0.71272%0.723SS**  trans-136.7139.8156.241.30000107
347P35.8Very low39.1Very low115 Ų115137.4 Ų137.475%0.74774%0.743SS**  trans-71.1150-169.329.5-35.9000112.2S349P347-S349 PolarHBondContact O-N 3.27Å
348P32.3Very low36.9Very low132 Ų132142 Ų14286%0.85778%0.776SS**  trans-76.9107.4173.131.1-32000110.6
349S30.5Very low34.8Very low115 Ų115141.6 Ų141.680%0.80478%0.782SS**  trans-78.9147.9157.555.20000110.2P347P347-S349 PolarHBondContact O-N 3.27Å
350E33.7Very low33.7Very low195 Ų195145.1 Ų145.191%0.91180%0.803SS**  trans-71.9149.7-174.2-57.7171.8113.300114.2
351S28.9Very low33Very low111 Ų111146.5 Ų146.578%0.77680%0.804SS**  trans-173.496.3152-176.10000106.4
352Q32.6Very low32.8Very low158 Ų158142.9 Ų142.974%0.73880%0.799SS**  67.8100.866.2-162.5-177.144.200113.1V354Q352-V354 HydrophobicContact CG-CG2 3.79Å
353L32.8Very low32.8Very low183 Ų183141 Ų14196%0.95879%0.787SS**  trans-126.4150.9148.9-76.8178000107.6
354V33.2Very low32.9Very low109 Ų109139.7 Ų139.766%0.66178%0.782SS**  trans-129.9146.8-158.9-172.10000109.7Q352Q352-V354 HydrophobicContact CG-CG2 3.79Å
355D27.5Very low33.3Very low146 Ų146138.8 Ų138.878%0.78178%0.775SS**  trans-137.4160.2135-146.8-22.7000110.5
356T31.2Very low33.6Very low129 Ų129134.6 Ų134.679%0.79176%0.758SS**  trans-68.8164.6-170.2510000114.1
357G35.2Very low34.6Very low67 Ų67134.1 Ų134.169%0.69175%0.751SS**  cis142.9131.46.800000107.7
358T37.8Very low34.7Very low137 Ų137134.3 Ų134.384%0.8474%0.743SS**  -142.3130.867.747.50000110.6
359Q28.3Very low34.8Very low164 Ų164131.4 Ų131.477%0.76673%0.73SS**  cis72.6103.849.2-167.3-1758.400115.5
360T31.6Very low35.2Very low140 Ų140133 Ų13386%0.85973%0.729SS**  trans-154.862.313322.60000110.8
361D32.1Very low35.2Very low148 Ų148129 Ų12979%0.79172%0.717SS**  trans-77.3138.1164.8-64.8-66.4000110.7
362I34.6Very low35.2Very low129 Ų129132 Ų13266%0.66272%0.717SS**  trans-120.9121172.2-56178.8000107.8H366I362-H366 HydrophobicContact CG2-CB 3.78Å
363T39.7Very low34.9Very low98 Ų98133.3 Ų133.360%0.60173%0.725SS**  trans-82156-170.753.80000113.4E365 H366T363-E365 PolarHBondContact O-N 3.03Å; T363-H366 WeakPolarHBondContact O-CB 3.44Å; T363-H366 PolarHBondContact O-N 2.62Å
364F37.3Very low34.5Very low159 Ų159129.6 Ų129.670%0.69771%0.714SS**Hα-helixtrans-53.7-25.3-176.5-165.1-107.5000114.8H366 I367F364-H366 VanDerWaalsContact C-N 3.32Å; F364-H366 PolarHBondContact O-N 2.65Å; F364-I367 PolarHBondContact O-N 2.69Å
365E41.3Very low34.2Very low155 Ų155129.9 Ų129.972%0.72472%0.721SS**Hα-helixtrans-68.9-28.8177.2-159.6165.4-145.600112.6T363 I367 M368 A369T363-E365 PolarHBondContact O-N 3.03Å; E365-I367 VanDerWaalsContact C-N 3.32Å; E365-I367 PolarHBondContact O-N 3.48Å; E365-M368 PolarHBondContact O-N 3.32Å; E365-A369 PolarHBondContact O-N 3.09Å
366H39.1Very low34.4Very low120 Ų120128 Ų12856%0.55672%0.717SS**Hα-helixtrans-70.2-29176.2-14586.5000112.4I362 T363 F364 A369I362-H366 HydrophobicContact CG2-CB 3.78Å; T363-H366 WeakPolarHBondContact O-CB 3.44Å; T363-H366 PolarHBondContact O-N 2.62Å; F364-H366 VanDerWaalsContact C-N 3.32Å; F364-H366 PolarHBondContact O-N 2.65Å; H366-A369 PolarHBondContact O-N 2.88Å
367I50.8Low34Very low107 Ų107126.9 Ų126.955%0.54971%0.714SS.*Hα-helixtrans-71.8-36.1178-64164.2000110.7F364 E365 A369F364-I367 PolarHBondContact O-N 2.69Å; E365-I367 VanDerWaalsContact C-N 3.32Å; E365-I367 PolarHBondContact O-N 3.48Å; I367-A369 VanDerWaalsContact C-N 3.32Å; I367-A369 PolarHBondContact O-N 3.03Å
368M38.8Very low34.1Very low119 Ų119129.1 Ų129.159%0.58672%0.716SS**Hα-helixtrans-75.4-16.6174.4-67.8-159.3-6500114E365 L370 T371E365-M368 PolarHBondContact O-N 3.32Å; M368-L370 VanDerWaalsContact C-N 3.35Å; M368-T371 PolarHBondContact O-OG1 3.44Å
369A35.1Very low34.1Very low71 Ų71127.7 Ų127.759%0.58771%0.71SS**Hα-helixtrans-73.4-24.917800000113.4E365 H366 I367E365-A369 PolarHBondContact O-N 3.09Å; H366-A369 PolarHBondContact O-N 2.88Å; I367-A369 VanDerWaalsContact C-N 3.32Å; I367-A369 PolarHBondContact O-N 3.03Å
370L37.2Very low33.9Very low149 Ų149125.8 Ų125.878%0.7871%0.709SS**SBendtrans-88.3-12.6-178.7-68.5173.4000114.1M368 K372M368-L370 VanDerWaalsContact C-N 3.35Å; L370-K372 PolarHBondContact O-N 3.22Å
371T34.4Very low33.5Very low109 Ų109126.8 Ų126.867%0.66971%0.708SS**SBendtrans-89.810-175.551.70000114.6M368M368-T371 PolarHBondContact O-OG1 3.44Å
372K29.4Very low33.1Very low175 Ų175127 Ų12776%0.76171%0.709SS**  trans-143.476.4179-71-176.7179.7168.20115.1L370L370-K372 PolarHBondContact O-N 3.22Å
373M25.4Very low33.2Very low186 Ų186125 Ų12592%0.91670%0.704SS**  trans-154.7155.3139.7-84.9-44-160.900108.8
374S24.3Very low32.5Very low105 Ų105130.3 Ų130.373%0.73472%0.715SS**  trans-144.4160.1-151.8-51.30000117.5
375S27.1Very low31.9Very low115 Ų115130.8 Ų130.880%0.80472%0.724SS**  trans77.9160151.882.70000117.1
376P32.1Very low31.1Very low107 Ų107131.2 Ų131.270%0.69573%0.731SS**  cis-138.31411939.7-19.9000120.2
377S23.3Very low30.8Very low105 Ų105130.2 Ų130.273%0.73473%0.734SS**  trans19.6164.8132.5680000123.6
378P36.5Very low29.5Very low113 Ų113133.2 Ų133.273%0.73475%0.746SS**  cis-137-142.4-3741.5-21.1000109.5
379P36.8Very low28.8Very low107 Ų107135 Ų13570%0.69575%0.753SS**  cis-135.7-177.6-22.139.7-20.4000116.5
380V24.2Very low28.2Very low124 Ų124139.1 Ų139.175%0.75276%0.76SS**  trans79.2118.9140.2150.70000123.2
381L23.8Very low28Very low161 Ų161137.2 Ų137.284%0.84376%0.756SS**  trans54.2142.3142-55.4174.9000125.2
382D23.7Very low27.6Very low152 Ų152137.8 Ų137.881%0.81377%0.765SS**  trans-51.6173.8153.8-94-45.6000115.6
383P37.5Very low27.3Very low87 Ų87133.9 Ų133.957%0.56577%0.765SS**  cis-138.8-174.9-10.524.51.1000115.7
384Y23.7Very low27.3Very low211 Ų211132.4 Ų132.483%0.82776%0.756SS**  trans73.1130.1163.8-57.3-77.5000120.3
385L26.3Very low27.4Very low169 Ų169135.1 Ų135.189%0.88576%0.757SS**  162.2154.7117-85.1174.8000113.6
386L22.8Very low27.3Very low164 Ų164140.2 Ų140.286%0.85976%0.76SS**  trans-125170.6163.2-77.4174.3000106.8
387P34.6Very low27.2Very low98 Ų98144.5 Ų144.564%0.63676%0.764SS**  cis-138.3-17011.543.2-24.3000116.3
388E23.2Very low27.3Very low170 Ų170145.2 Ų145.279%0.79476%0.759SS**  trans77.3133145.2-84.4165.6164.500123.7
389E23.1Very low27.2Very low158 Ų158144.7 Ų144.774%0.73876%0.756SS**  trans56.8138156.6-58.3-165.4146.400119.9
390H22.5Very low27.1Very low157 Ų157145.6 Ų145.673%0.72776%0.755SS**  cis-150.3-177.78.8-122.24.9000109.8
391P33.1Very low27.3Very low108 Ų108148 Ų14870%0.70176%0.763SS**  trans-91.2158.8-152.135.3-38.6000118.3
392S25Very low27.8Very low122 Ų122149.9 Ų149.985%0.85376%0.761SS**  trans133.6150.1143.667.30000116.5
393A23.3Very low28.1Very low93 Ų93150.9 Ų150.977%0.76977%0.765SS**  trans87.8141.4168.300000121.5
394H25.4Very low27.9Very low155 Ų155150.2 Ų150.272%0.71877%0.773SS**  trans65.7110.8165.9-88-87.1000123.6
395E26.3Very low28.1Very low162 Ų162145.1 Ų145.176%0.75776%0.76SS**  32.7132124.5-61.9175.316400122.2
396Y26.8Very low28.4Very low221 Ų221144 Ų14487%0.86775%0.754SS**  -143.7146.5120.4-147.2-101.9000110.8
397Y28.5Very low28.7Very low198 Ų198145.3 Ų145.378%0.77676%0.755SS**  trans-130.2122.7175.7-165.8-82.8000106.6P399Y397-P399 HydrophobicContact CD1-CB 4.31Å; Y397-P399 HydrophobicContact CE1-CB 4.44Å; Y397-P399 WeakPolarHBondContact O-CD 3.28Å
398D27.1Very low28.6Very low119 Ų119146.5 Ų146.564%0.63675%0.752SS**  trans-97.2110.4176.9-170.2-16.9000109.1N400D398-N400 PolarHBondContact OD1-ND2 3.44Å
399P34.3Very low29Very low102 Ų102145 Ų14566%0.66275%0.745SS**  trans-99.192-175.334.1-24.3000111.1Y397Y397-P399 HydrophobicContact CD1-CB 4.31Å; Y397-P399 HydrophobicContact CE1-CB 4.44Å; Y397-P399 WeakPolarHBondContact O-CD 3.28Å
400N33.4Very low29.2Very low126 Ų126143.8 Ų143.867%0.67474%0.741SS**  trans-128.2-12.5176.9-90.4-72.2000116.2D398 Y402D398-N400 PolarHBondContact OD1-ND2 3.44Å; N400-Y402 PolarHBondContact O-N 3.48Å; N400-Y402 VanDerWaalsContact O-N 3.12Å
401D29.5Very low29.6Very low174 Ų174143.6 Ų143.693%0.9375%0.745SS**  trans-82.321.5-176.5-68.2-30.5000115.1
402Y33.3Very low29.5Very low201 Ų201147.7 Ų147.779%0.78875%0.747SS**  trans-113.843.6179.3-155.7-98.2000114.1N400N400-Y402 PolarHBondContact O-N 3.48Å; N400-Y402 VanDerWaalsContact O-N 3.12Å
403I31Very low30.2Very low174 Ų174148.4 Ų148.489%0.89274%0.737SS**SBendtrans-133.690.2157.8-56.1-176.8000108.7
404G32.8Very low31.1Very low72 Ų72152.5 Ų152.574%0.74274%0.74SS**  trans-164.6-11.2177.700000115.5I406G404-I406 VanDerWaalsContact C-N 3.28Å; G404-I406 PolarHBondContact O-N 3.44Å
405D28.8Very low32.8Very low105 Ų105147.5 Ų147.556%0.56172%0.718SS**  trans-83.760.3-173.5-16724.7000113.9Q408D405-Q408 PolarHBondContact OD1-NE2 3.01Å
406I32.3Very low34.8Very low145 Ų145145 Ų14574%0.74471%0.707SS**  trans-143.294.9153.5-54.9-178.9000108.1G404G404-I406 VanDerWaalsContact C-N 3.28Å; G404-I406 PolarHBondContact O-N 3.44Å
407H29.5Very low37.3Very low191 Ų191139.3 Ų139.388%0.88469%0.691SS**  trans177.355.4140.3-101.6-75.8000110.4
408Q31Very low39.8Very low124 Ų124131.8 Ų131.858%0.57966%0.663SS**  trans-97.396.9-170.9179.7-170.4105.200111.3D405D405-Q408 PolarHBondContact OD1-NE2 3.01Å
409E31.5Very low42.7Very low137 Ų137131.8 Ų131.864%0.6466%0.659SS**  trans-162.616.3157.6-123.2173.4-149.400118.3R215R215-E409 WeakPolarHBondContact CD-OE1 3.42Å; R215-E409 IonicContact CZ-OE1 3.89Å; R215-E409 IonicContact NE-OE1 2.77Å; R215-E409 IonicContact NH1-OE1 3.91Å; R215-E409 PolarHBondContact NH1-OE1 3.38Å
410M28Very low45.2Very low133 Ų133127 Ų12766%0.65563%0.627SS**  trans-132.999.2171.2-71.2-169.272.400111.9I471M410-I471 HydrophobicContact SD-CG2 4.37Å
411D30.1Very low47.7Very low154 Ų154125.4 Ų125.482%0.82462%0.619SS**  trans-129.989.5172.4-157.5-6.7000108.7
412R32.8Very low50.4Low194 Ų194117.3 Ų117.373%0.73258%0.576SS**SBendtrans-160.6112.3172.6-158-176.2-156.5-124.210.1109.3
413E37.9Very low52.7Low137 Ų137114.1 Ų114.164%0.6456%0.563SS**SBendtrans60.8149.1-165-68.298.2-124.200114.8L415E413-L415 HydrophobicContact CB-CD2 4.38Å; E413-L415 HydrophobicContact CB-CG 4.31Å; E413-L415 PolarHBondContact O-N 2.87Å
414E44Very low55Low178 Ų178107.2 Ų107.283%0.83253%0.526SS*.  trans-79.370.7-178.1-167169.5163.100110.1E416E414-E416 PolarHBondContact O-N 3.13Å
415L59.8Low56.9Low51 Ų51110.8 Ų110.827%0.26753%0.525SS..  trans-80.4115.7-174-64174.4000111.6E413 L417 A501 R502E413-L415 HydrophobicContact CB-CD2 4.38Å; E413-L415 HydrophobicContact CB-CG 4.31Å; E413-L415 PolarHBondContact O-N 2.87Å; L415-L417 PolarHBondContact O-N 2.99Å; L415-L417 VanDerWaalsContact O-N 3.08Å; L415-A501 HydrophobicContact CB-CB 4.19Å; L415-A501 HydrophobicContact CD1-CB 4.22Å; L415-R502 WeakPolarHBondContact CD2-O 3.46Å
416E68.8Low58.8Low110 Ų110110.9 Ų110.951%0.51453%0.525SS..EExtended strand (participates in β ladder)trans-67.6107.4172.6-170.3-169.7173.600109.4E414 R502E414-E416 PolarHBondContact O-N 3.13Å; E416-R502 HydrophobicContact CB-CB 4.3Å; E416-R502 PolarHBondContact O-N 3.26Å; E416-R502 IonicContact OE1-CZ 2.72Å; E416-R502 IonicContact OE1-NH1 3.09Å; E416-R502 PolarHBondContact OE1-NH1 2.87Å; E416-R502 IonicContact OE1-NH2 3.88Å; E416-R502 WeakPolarHBondContact OE2-CD 3.43Å; E416-R502 IonicContact OE2-CZ 3.02Å; E416-R502 IonicContact OE2-NE 2.62Å; E416-R502 IonicContact OE2-NH1 2.79Å; E416-R502 PolarHBondContact OE2-NH1 3.29Å
417L78.5Confident60.4Low101 Ų101107.2 Ų107.253%0.52951%0.513SS..EExtended strand (participates in β ladder)trans-85.7125.9176.9-73.7168.5000111L415 I471 L499 I500 A501L415-L417 PolarHBondContact O-N 2.99Å; L415-L417 VanDerWaalsContact O-N 3.08Å; L417-I471 HydrophobicContact CD2-CG1 4.45Å; L417-L499 HydrophobicContact CB-CD1 4.5Å; L417-L499 HydrophobicContact CD2-CD1 4.32Å; L417-L499 HydrophobicContact CD2-CG 4.26Å; L417-I500 CarbonylContact C-O 3.47Å; L417-I500 VanDerWaalsContact CA-O 3.31Å; L417-I500 WeakPolarHBondContact CA-O 3.06Å; L417-A501 HydrophobicContact CD2-CB 3.84Å
418E81.3Confident61.8Low40 Ų40104.7 Ų104.719%0.18750%0.502CS..EExtended strand (participates in β ladder)trans-126.4130.2175.3-172.1174.9-151.900110.4V420 R463 I500 R502E418-V420 HydrophobicContact CG-CG2 3.93Å; E418-R463 WeakPolarHBondContact OE1-CD 3.34Å; E418-R463 WeakPolarHBondContact OE1-CG 3.43Å; E418-I500 PolarHBondContact N-O 2.99Å; E418-I500 PolarHBondContact O-N 3.39Å; E418-R502 VanDerWaalsContact CD-NH2 3.32Å; E418-R502 IonicContact OE1-NH2 3.4Å; E418-R502 IonicContact OE2-CZ 3.32Å; E418-R502 IonicContact OE2-NE 3.42Å; E418-R502 IonicContact OE2-NH2 3.46Å; E418-R502 PolarHBondContact OE2-NH2 3.35Å
419E87.4Confident63.6Low119 Ų119101.5 Ų101.556%0.55649%0.488SS*.EExtended strand (participates in β ladder)trans-94.1124.6170.3-171.9174.8-170.100110.5R463 S497 L498 L499E419-R463 PolarHBondContact O-NH1 3.44Å; E419-S497 WeakPolarHBondContact OE1-CB 3.45Å; E419-S497 PolarHBondContact OE1-OG 3.08Å; E419-L498 WeakPolarHBondContact CA-O 3.27Å; E419-L499 HydrophobicContact CB-CD1 4.46Å
420V86.9Confident65.6Low0 Ų0100 Ų1000%048%0.48CS..EExtended strand (participates in β ladder)trans-122.3101.7-175.5-176.80000111.5E418 L422 R463 I464 F496 L498 I500E418-V420 HydrophobicContact CG-CG2 3.93Å; V420-L422 HydrophobicContact CG1-CD2 3.7Å; V420-L422 HydrophobicContact CG1-CG 4.17Å; V420-L422 PolarHBondContact O-N 2.95Å; V420-R463 HydrophobicContact CG1-CB 4.3Å; V420-R463 HydrophobicContact CG2-CB 3.78Å; V420-I464 HydrophobicContact CB-CD1 4.37Å; V420-I464 HydrophobicContact CB-CG1 4.2Å; V420-I464 HydrophobicContact CG1-CD1 3.86Å; V420-I464 HydrophobicContact CG1-CG1 3.74Å; V420-I464 HydrophobicContact CG2-CG1 4.15Å; V420-F496 VanDerWaalsContact O-O 3.11Å; V420-L498 PolarHBondContact N-O 3.23Å; V420-L498 PolarHBondContact O-N 3.03Å; V420-I500 HydrophobicContact CG2-CD1 4.23Å
421D87.3Confident68.1Low94 Ų9493.8 Ų93.850%0.50345%0.449SS..EExtended strand (participates in β ladder)trans-72.1116.5165.9-84.7-50.4000112.1R463D421-R463 PolarHBondContact O-NH2 3.21Å
422L85.4Confident70.6Confident4 Ų486.5 Ų86.52%0.02141%0.411CS..EExtended strand (participates in β ladder)trans-108.3136.7168.8-55.5-177.9000111.4V420 L431 I457 A458 D461 I464 F496 L498V420-L422 HydrophobicContact CG1-CD2 3.7Å; V420-L422 HydrophobicContact CG1-CG 4.17Å; V420-L422 PolarHBondContact O-N 2.95Å; L422-L431 HydrophobicContact CB-CD2 4.02Å; L422-L431 HydrophobicContact CD1-CD2 3.92Å; L422-I457 HydrophobicContact CB-CG2 4.02Å; L422-I457 HydrophobicContact CD2-CG2 4.26Å; L422-A458 HydrophobicContact CD1-CB 4.24Å; L422-D461 HydrophobicContact CD2-CB 3.66Å; L422-I464 HydrophobicContact CD1-CD1 3.8Å; L422-I464 HydrophobicContact CD2-CD1 4.2Å; L422-I464 HydrophobicContact CG-CD1 4.29Å; L422-F496 HydrophobicContact CB-CB 4.36Å; L422-F496 PolarHBondContact N-O 3.47Å; L422-F496 PolarHBondContact O-N 3.33Å; L422-L498 HydrophobicContact CD1-CD1 3.83Å; L422-L498 HydrophobicContact CG-CD1 4.37Å
423Y81.1Confident73Confident133 Ų13377.3 Ų77.352%0.52238%0.376SS..EExtended strand (participates in β ladder)trans-116.9124.5-178.7-170.6-97000113M425 K494 N495Y423-M425 HydrophobicContact CD1-CG 3.92Å; Y423-M425 HydrophobicContact CE1-CG 4.02Å; Y423-K494 HydrophobicContact CE2-CB 4.48Å; Y423-N495 WeakPolarHBondContact CD2-OD1 3.45Å; Y423-N495 VanDerWaalsContact CE2-OD1 3.27Å; Y423-N495 WeakPolarHBondContact CE2-OD1 3.5Å
424R80.8Confident75.1Confident29 Ų2971.1 Ų71.111%0.10935%0.347CS..  trans-88.7115.1170-68.7-173.8-175.5161.13.2110.5L431 I457 L488 S490 K494 F496R424-L431 HydrophobicContact CG-CD2 4.3Å; R424-I457 HydrophobicContact CB-CD1 4.33Å; R424-I457 HydrophobicContact CG-CD1 3.66Å; R424-L488 PolarHBondContact NH2-O 3.39Å; R424-S490 PolarHBondContact NH1-O 2.99Å; R424-K494 PolarHBondContact N-O 3.34Å; R424-F496 HydrophobicContact CG-CD2 4.47Å; R424-F496 HydrophobicContact CG-CE2 3.95Å
425M70.9Confident77Confident148 Ų14862.7 Ų62.773%0.72931%0.308SS*.SBendtrans-75.1-38.4175.1-60.3-173.974.600111.7Y423 D429Y423-M425 HydrophobicContact CD1-CG 3.92Å; Y423-M425 HydrophobicContact CE1-CG 4.02Å; M425-D429 PolarHBondContact N-OD2 3.42Å
426N70.6Confident77.8Confident106 Ų10661.8 Ų61.857%0.56731%0.305SS*.SBendtrans-125.9156.8171.5-84-47.2000111.4Q428 D429N426-Q428 PolarHBondContact O-N 3.45Å; N426-Q428 VanDerWaalsContact O-N 3.15Å; N426-D429 PolarHBondContact N-OD2 3.4Å; N426-D429 WeakPolarHBondContact O-CB 3.33Å; N426-D429 PolarHBondContact O-N 2.94Å
427S64Low78.2Confident69 Ų6959.9 Ų59.948%0.48329%0.294SS..THydrogen-bonded Turntrans-64.9-12.2169.652.60000113.9F1060S427-F1060 WeakPolarHBondContact O-CD1 3.35Å; S427-F1060 WeakPolarHBondContact O-CG 3.4Å
428Q59.8Low77.4Confident138 Ų13859.9 Ų59.965%0.64529%0.287SS*.THydrogen-bonded Turntrans-82.8-13.7173-50.4-156.6-33.100113.2N426 F1060N426-Q428 PolarHBondContact O-N 3.45Å; N426-Q428 VanDerWaalsContact O-N 3.15Å; Q428-F1060 HydrophobicContact CB-CD1 4.46Å; Q428-F1060 HydrophobicContact CB-CE1 4.01Å; Q428-F1060 HydrophobicContact CG-CD1 4.49Å; Q428-F1060 HydrophobicContact CG-CE1 3.65Å; Q428-F1060 HydrophobicContact CG-CZ 3.91Å
429D68Low75.9Confident57 Ų5764.5 Ų64.531%0.30532%0.318SS..  trans-80.7126-175-60.3-34.3000111.2M425 N426 I457M425-D429 PolarHBondContact N-OD2 3.42Å; N426-D429 PolarHBondContact N-OD2 3.4Å; N426-D429 WeakPolarHBondContact O-CB 3.33Å; N426-D429 PolarHBondContact O-N 2.94Å; D429-I457 HydrophobicContact CB-CD1 3.82Å; D429-I457 HydrophobicContact CB-CG1 4.39Å
430K73.9Confident74.2Confident105 Ų10563.6 Ų63.646%0.45732%0.317SS..  trans-87.3128-173.9-69.5-174.3154.7-145.20111.5G432 I457 L1061 S1062K430-G432 VanDerWaalsContact C-N 3.28Å; K430-I457 WeakPolarHBondContact O-CG1 3.23Å; K430-I457 PolarHBondContact O-N 2.97Å; K430-L1061 PolarHBondContact NZ-O 3.47Å; K430-S1062 WeakPolarHBondContact CB-OG 3.49Å; K430-S1062 VanDerWaalsContact CD-CB 3.41Å
431L81.2Confident72.4Confident3 Ų368.1 Ų68.12%0.01634%0.341CS..  trans-63.9-38.4167.8-65.9178.8000110.9L422 R424 S456 I457 A458 L488 F496L422-L431 HydrophobicContact CB-CD2 4.02Å; L422-L431 HydrophobicContact CD1-CD2 3.92Å; R424-L431 HydrophobicContact CG-CD2 4.3Å; L431-S456 WeakPolarHBondContact O-CB 3.36Å; L431-S456 PolarHBondContact O-OG 3.07Å; L431-S456 VanDerWaalsContact O-OG 3.13Å; L431-I457 HydrophobicContact CD2-CB 4.34Å; L431-I457 HydrophobicContact CD2-CD1 3.97Å; L431-A458 VanDerWaalsContact O-CB 3.3Å; L431-A458 WeakPolarHBondContact O-CB 3.5Å; L431-A458 PolarHBondContact O-N 3.34Å; L431-L488 HydrophobicContact CD1-CD2 3.92Å; L431-F496 HydrophobicContact CD1-CD1 3.96Å; L431-F496 HydrophobicContact CD1-CD2 4.08Å; L431-F496 HydrophobicContact CD1-CE1 4.15Å; L431-F496 HydrophobicContact CD1-CE2 4.3Å; L431-F496 HydrophobicContact CD1-CG 3.94Å; L431-F496 HydrophobicContact CD1-CZ 4.34Å; L431-F496 HydrophobicContact CD2-CD2 4.04Å; L431-F496 HydrophobicContact CD2-CG 4.45Å
432G81.4Confident70.7Confident1 Ų173.3 Ų73.31%0.0136%0.363CS..  trans64.452.4169.900000114.3K430 D453 S1062K430-G432 VanDerWaalsContact C-N 3.28Å; G432-D453 PolarHBondContact O-N 3.23Å; G432-S1062 PolarHBondContact N-OG 3.4Å
433L84.5Confident69.3Low1 Ų181 Ų811%0.00540%0.403CS..EExtended strand (participates in β ladder)trans-114.9125.2172.5-62175.9000108.2I449 I452 A458 I464 L498L433-I449 HydrophobicContact CD1-CD1 4.35Å; L433-I449 HydrophobicContact CD2-CD1 4.29Å; L433-I449 HydrophobicContact CD2-CG2 4.1Å; L433-I452 HydrophobicContact CD2-CD1 4.3Å; L433-I452 HydrophobicContact CD2-CG1 3.99Å; L433-I452 HydrophobicContact CD2-CG2 4.35Å; L433-A458 HydrophobicContact CD2-CB 3.51Å; L433-A458 HydrophobicContact CG-CB 4.07Å; L433-I464 HydrophobicContact CD1-CD1 4.41Å; L433-I464 HydrophobicContact CD2-CG2 4.06Å; L433-L498 HydrophobicContact CD1-CD1 4.12Å
434T81.4Confident68.8Low6 Ų676.5 Ų76.54%0.03739%0.389CS..EExtended strand (participates in β ladder)trans-91.4134.5166-60.90000108.1S450 E451 T1064 V1066T434-S450 WeakPolarHBondContact CG2-OG 3.09Å; T434-S450 PolarHBondContact O-N 2.98Å; T434-S450 PolarHBondContact O-OG 3Å; T434-E451 HydrophobicContact CG2-CB 4.49Å; T434-E451 PolarHBondContact N-O 3.06Å; T434-T1064 WeakPolarHBondContact CA-O 3.24Å; T434-T1064 VanDerWaalsContact CG2-O 3.29Å; T434-T1064 WeakPolarHBondContact CG2-O 3.35Å; T434-T1064 PolarHBondContact OG1-OG1 3.24Å; T434-V1066 HydrophobicContact CG2-CG2 4.22Å
435V83.9Confident68.1Low2 Ų280.7 Ų80.71%0.01241%0.412CS..EExtended strand (participates in β ladder)trans-123.8136.3-170.4178.60000111.2I447 Y448 I470 V1063 T1064V435-I447 HydrophobicContact CG1-CG2 3.32Å; V435-Y448 WeakPolarHBondContact CA-O 3.38Å; V435-I470 HydrophobicContact CG2-CD1 4.36Å; V435-V1063 HydrophobicContact CG2-CG1 4.34Å; V435-T1064 PolarHBondContact N-O 3.09Å
436C77.4Confident68.4Low31 Ų3173.7 Ų73.721%0.20938%0.378CS..EExtended strand (participates in β ladder)trans-134.2174.1-178.475.80000113Y448C436-Y448 PolarHBondContact N-O 2.89Å; C436-Y448 PolarHBondContact O-N 3.07Å
437Y76.6Confident69.1Low70 Ų7068.9 Ų68.928%0.27535%0.352SS..EExtended strand (participates in β ladder)trans-104.1155.8160.7-65.7-67.4000108.6I445 G446 I447 R481Y437-I445 HydrophobicContact CE1-CG2 4.29Å; Y437-G446 WeakPolarHBondContact CD1-O 3.49Å; Y437-I447 HydrophobicContact CE1-CG1 4.17Å; Y437-R481 HydrophobicContact CE1-CB 4.28Å; Y437-R481 HydrophobicContact CE2-CB 3.75Å; Y437-R481 HydrophobicContact CE2-CG 4.41Å; Y437-R481 VanDerWaalsContact CZ-CB 3.48Å; Y437-R481 WeakPolarHBondContact OH-CB 3.1Å; Y437-R481 PolarHBondContact OH-N 2.79Å
438R61.8Low70.1Confident102 Ų10266.5 Ų66.539%0.38533%0.332SS..  trans-70.9155.2162.1-83.6-177.379.8171.43.9110.3D440 Y448R438-D440 WeakPolarHBondContact CB-OD1 3.34Å; R438-D440 IonicContact CZ-OD1 3.96Å; R438-D440 IonicContact CZ-OD2 3.51Å; R438-D440 IonicContact NE-OD1 2.61Å; R438-D440 PolarHBondContact NE-OD1 2.89Å; R438-D440 VanDerWaalsContact NE-OD1 3.09Å; R438-D440 IonicContact NE-OD2 2.79Å; R438-D440 PolarHBondContact NE-OD2 2.81Å; R438-D440 IonicContact NH2-OD1 3.29Å; R438-D440 IonicContact NH2-OD2 3.64Å; R438-D440 PolarHBondContact NH2-OD2 3.06Å; R438-Y448 HydrophobicContact CB-CD2 4.38Å; R438-Y448 HydrophobicContact CB-CE2 4.19Å; R438-Y448 HydrophobicContact CG-CD2 3.76Å; R438-Y448 HydrophobicContact CG-CE2 3.67Å; R438-Y448 HydrophobicContact CG-CG 4.41Å
439T50.1Low71.5Confident136 Ų13660 Ų6083%0.83430%0.302SS*.SBendtrans-134.511.5-17566.80000113
440D50.5Low72.1Confident100 Ų10059.1 Ų59.154%0.53530%0.301SS..SBendtrans-100.2-29.3-177.142.5-31.2000112.7R438R438-D440 WeakPolarHBondContact CB-OD1 3.34Å; R438-D440 IonicContact CZ-OD1 3.96Å; R438-D440 IonicContact CZ-OD2 3.51Å; R438-D440 IonicContact NE-OD1 2.61Å; R438-D440 PolarHBondContact NE-OD1 2.89Å; R438-D440 VanDerWaalsContact NE-OD1 3.09Å; R438-D440 IonicContact NE-OD2 2.79Å; R438-D440 PolarHBondContact NE-OD2 2.81Å; R438-D440 IonicContact NH2-OD1 3.29Å; R438-D440 IonicContact NH2-OD2 3.64Å; R438-D440 PolarHBondContact NH2-OD2 3.06Å
441D49.6Very low72.4Confident96 Ų9659.3 Ų59.351%0.51330%0.303SS..  trans-118.8121.6172.4-70.5-60.8000110.9D443 D444D441-D443 PolarHBondContact O-N 3.43Å; D441-D444 PolarHBondContact O-N 3.04Å
442E52.5Low72.7Confident203 Ų20360.3 Ų60.395%0.94931%0.308SS*.THydrogen-bonded Turntrans-75.5-4.3-175.4-58.5-132.2150.800114.3
443D55.7Low72.8Confident164 Ų16463.7 Ų63.788%0.87733%0.326SS*.THydrogen-bonded Turntrans-103.4-6.7178.7-67.5-55000113.5D441D441-D443 PolarHBondContact O-N 3.43Å
444D69.8Low72.4Confident39 Ų3968.9 Ų68.921%0.20936%0.36CS..  trans-98.3104.7179.5-174.429000113.3D441 G446 Y448 R469D441-D444 PolarHBondContact O-N 3.04Å; D444-G446 PolarHBondContact O-N 3.26Å; D444-G446 WeakPolarHBondContact OD1-CA 3.48Å; D444-G446 PolarHBondContact OD1-N 3.15Å; D444-Y448 WeakPolarHBondContact OD2-CE2 3.5Å; D444-Y448 PolarHBondContact OD2-OH 2.89Å; D444-R469 VanDerWaalsContact CG-NH1 3.3Å; D444-R469 IonicContact OD1-CZ 2.83Å; D444-R469 IonicContact OD1-NH1 3.44Å; D444-R469 PolarHBondContact OD1-NH1 2.93Å; D444-R469 IonicContact OD1-NH2 2.64Å; D444-R469 PolarHBondContact OD1-NH2 3.05Å; D444-R469 VanDerWaalsContact OD1-NH2 3.13Å; D444-R469 IonicContact OD2-NH1 3.53Å; D444-R469 PolarHBondContact OD2-NH1 2.83Å; D444-R469 VanDerWaalsContact OD2-NH1 3.13Å
445I66.4Low72.2Confident118 Ų11875.3 Ų75.361%0.60539%0.394SS*.  trans-85.916.1175.9-38-178.5000111.1Y437Y437-I445 HydrophobicContact CE1-CG2 4.29Å
446G77.6Confident72.2Confident1 Ų175.4 Ų75.41%0.0140%0.395CS..  trans-58.7139.4-178.900000114.4Y437 D444 Y448 R469Y437-G446 WeakPolarHBondContact CD1-O 3.49Å; D444-G446 PolarHBondContact O-N 3.26Å; D444-G446 WeakPolarHBondContact OD1-CA 3.48Å; D444-G446 PolarHBondContact OD1-N 3.15Å; G446-Y448 WeakPolarHBondContact O-CD2 3.36Å; G446-R469 VanDerWaalsContact CA-NH2 3.33Å
447I83.9Confident72.5Confident4 Ų475.1 Ų75.12%0.02139%0.391CS..EExtended strand (participates in β ladder)trans-99.9116179.7-59.5179.5000108.3V435 Y437 R469 I470 V478 N480 A484V435-I447 HydrophobicContact CG1-CG2 3.32Å; Y437-I447 HydrophobicContact CE1-CG1 4.17Å; I447-R469 CarbonylContact O-C 3.55Å; I447-R469 WeakPolarHBondContact O-CA 3.32Å; I447-I470 HydrophobicContact CG2-CB 4.49Å; I447-I470 PolarHBondContact O-N 3.5Å; I447-V478 HydrophobicContact CD1-CB 4.49Å; I447-V478 HydrophobicContact CD1-CG1 3.8Å; I447-N480 VanDerWaalsContact CD1-C 3.46Å; I447-A484 HydrophobicContact CD1-CB 4.12Å; I447-A484 HydrophobicContact CG2-CB 4.29Å
448Y86.6Confident72.9Confident19 Ų1971.8 Ų71.88%0.07538%0.378CS..EExtended strand (participates in β ladder)trans-118.7149.1-170.4-68.8-86.4000112.5V435 C436 R438 D444 G446 D468 R469 P503V435-Y448 WeakPolarHBondContact CA-O 3.38Å; C436-Y448 PolarHBondContact N-O 2.89Å; C436-Y448 PolarHBondContact O-N 3.07Å; R438-Y448 HydrophobicContact CB-CD2 4.38Å; R438-Y448 HydrophobicContact CB-CE2 4.19Å; R438-Y448 HydrophobicContact CG-CD2 3.76Å; R438-Y448 HydrophobicContact CG-CE2 3.67Å; R438-Y448 HydrophobicContact CG-CG 4.41Å; D444-Y448 WeakPolarHBondContact OD2-CE2 3.5Å; D444-Y448 PolarHBondContact OD2-OH 2.89Å; G446-Y448 WeakPolarHBondContact O-CD2 3.36Å; Y448-D468 CarbonylContact C-O 3.5Å; Y448-D468 WeakPolarHBondContact CA-O 3.48Å; Y448-R469 HydrophobicContact CD1-CB 3.9Å; Y448-R469 HydrophobicContact CD1-CG 4.32Å; Y448-R469 HydrophobicContact CE1-CB 3.61Å; Y448-R469 HydrophobicContact CE1-CG 3.92Å; Y448-R469 PolarHBondContact OH-NH1 3.17Å; Y448-P503 HydrophobicContact CE1-CG 3.96Å
449I87.9Confident73.9Confident2 Ų268.9 Ų68.91%0.0138%0.376CS..EExtended strand (participates in β ladder)trans-87.1115.5175.3-60179.9000108.7L433 I452 I464 G467 D468 I470 I500L433-I449 HydrophobicContact CD1-CD1 4.35Å; L433-I449 HydrophobicContact CD2-CD1 4.29Å; L433-I449 HydrophobicContact CD2-CG2 4.1Å; I449-I452 HydrophobicContact CG2-CD1 4.23Å; I449-I452 HydrophobicContact CG2-CG1 3.86Å; I449-I464 HydrophobicContact CD1-CG2 3.33Å; I449-G467 PolarHBondContact O-N 2.9Å; I449-D468 HydrophobicContact CB-CB 4.49Å; I449-D468 HydrophobicContact CD1-CB 4.14Å; I449-D468 HydrophobicContact CG1-CB 4.5Å; I449-D468 PolarHBondContact N-O 2.91Å; I449-I470 HydrophobicContact CD1-CD1 4.17Å; I449-I470 HydrophobicContact CD1-CG1 4.02Å; I449-I470 HydrophobicContact CG1-CD1 3.92Å; I449-I470 HydrophobicContact CG1-CG1 3.92Å; I449-I500 HydrophobicContact CD1-CD1 4.43Å
450S82.1Confident75.4Confident39 Ų3970 Ų7027%0.27337%0.369SS..EExtended strand (participates in β ladder)trans-97.9-32.8-174.760.80000114.7T434T434-S450 WeakPolarHBondContact CG2-OG 3.09Å; T434-S450 PolarHBondContact O-N 2.98Å; T434-S450 PolarHBondContact O-OG 3Å
451E80Confident77Confident109 Ų10967.9 Ų67.951%0.50936%0.358SS..EExtended strand (participates in β ladder)trans-147.5145.6177.6-53.2176.7152.600110T434 E466T434-E451 HydrophobicContact CG2-CB 4.49Å; T434-E451 PolarHBondContact N-O 3.06Å; E451-E466 WeakPolarHBondContact CA-OE1 3.49Å
452I86.4Confident78.4Confident24 Ų2465.7 Ų65.712%0.12336%0.358CS..EExtended strand (participates in β ladder)trans-118.3120.5173.8-54.7-179.1000110.9L433 I449 P454 A458 A459 I464 E466L433-I452 HydrophobicContact CD2-CD1 4.3Å; L433-I452 HydrophobicContact CD2-CG1 3.99Å; L433-I452 HydrophobicContact CD2-CG2 4.35Å; I449-I452 HydrophobicContact CG2-CD1 4.23Å; I449-I452 HydrophobicContact CG2-CG1 3.86Å; I452-P454 WeakPolarHBondContact O-CD 3.43Å; I452-A458 HydrophobicContact CG2-CB 4.03Å; I452-A459 HydrophobicContact CG2-CB 3.97Å; I452-I464 HydrophobicContact CD1-CB 4.29Å; I452-I464 HydrophobicContact CD1-CG2 3.92Å; I452-I464 WeakPolarHBondContact CD1-O 3.12Å; I452-E466 HydrophobicContact CD1-CG 4.39Å; I452-E466 HydrophobicContact CG1-CG 3.98Å; I452-E466 PolarHBondContact N-OE1 3.21Å
453D83.4Confident79.7Confident71 Ų7159.8 Ų59.838%0.3833%0.327SS..  trans-58.2114.5178.6-108.4-27.8000110.3G432 N455 S456 A459G432-D453 PolarHBondContact O-N 3.23Å; D453-N455 PolarHBondContact O-N 2.76Å; D453-S456 WeakPolarHBondContact O-CB 3.39Å; D453-S456 PolarHBondContact O-N 3.07Å; D453-S456 PolarHBondContact O-OG 2.94Å; D453-A459 VanDerWaalsContact O-CB 3.23Å; D453-A459 WeakPolarHBondContact O-CB 3.31Å
454P76.8Confident81.2Confident110 Ų11052.4 Ų52.471%0.71429%0.287SS*.THydrogen-bonded Turntrans-65.11.2-169.8-27.136.5000117.5I452I452-P454 WeakPolarHBondContact O-CD 3.43Å
455N77.1Confident82Confident141 Ų14156.5 Ų56.575%0.75430%0.3SS*.THydrogen-bonded Turntrans-123.79.4176.9-70.8-86.2000112.8D453 K460D453-N455 PolarHBondContact O-N 2.76Å; N455-K460 WeakPolarHBondContact O-CE 3.43Å; N455-K460 PolarHBondContact O-NZ 3.33Å
456S84.1Confident82.8Confident5 Ų556.8 Ų56.84%0.03530%0.299CS..SBendtrans-75.8-170.9-174.2730000113.6L431 D453 A458 A459 K460L431-S456 WeakPolarHBondContact O-CB 3.36Å; L431-S456 PolarHBondContact O-OG 3.07Å; L431-S456 VanDerWaalsContact O-OG 3.13Å; D453-S456 WeakPolarHBondContact O-CB 3.39Å; D453-S456 PolarHBondContact O-N 3.07Å; D453-S456 PolarHBondContact O-OG 2.94Å; S456-A458 PolarHBondContact OG-N 2.75Å; S456-A459 PolarHBondContact OG-N 2.77Å; S456-K460 WeakPolarHBondContact O-CD 3.18Å; S456-K460 WeakPolarHBondContact O-CE 3.26Å; S456-K460 WeakPolarHBondContact O-CG 3.45Å; S456-K460 PolarHBondContact O-NZ 2.74Å; S456-K460 VanDerWaalsContact O-NZ 3.07Å
457I83.9Confident82.9Confident24 Ų2458.6 Ų58.612%0.12332%0.317CS..SBendtrans-76.6-44.7166.8-62.4161.5000109.8L422 R424 D429 K430 L431 A459 K460 D461L422-I457 HydrophobicContact CB-CG2 4.02Å; L422-I457 HydrophobicContact CD2-CG2 4.26Å; R424-I457 HydrophobicContact CB-CD1 4.33Å; R424-I457 HydrophobicContact CG-CD1 3.66Å; D429-I457 HydrophobicContact CB-CD1 3.82Å; D429-I457 HydrophobicContact CB-CG1 4.39Å; K430-I457 WeakPolarHBondContact O-CG1 3.23Å; K430-I457 PolarHBondContact O-N 2.97Å; L431-I457 HydrophobicContact CD2-CB 4.34Å; L431-I457 HydrophobicContact CD2-CD1 3.97Å; I457-A459 PolarHBondContact O-N 2.98Å; I457-K460 PolarHBondContact O-N 3.01Å; I457-K460 VanDerWaalsContact O-N 3.09Å; I457-D461 PolarHBondContact O-N 2.97Å
458A85.6Confident83.1Confident0 Ų058.7 Ų58.70%032%0.318CS..Hα-helixtrans-60.2-43.3179.600000112.7L422 L431 L433 I452 S456 K460 D461 G462 I464L422-A458 HydrophobicContact CD1-CB 4.24Å; L431-A458 VanDerWaalsContact O-CB 3.3Å; L431-A458 WeakPolarHBondContact O-CB 3.5Å; L431-A458 PolarHBondContact O-N 3.34Å; L433-A458 HydrophobicContact CD2-CB 3.51Å; L433-A458 HydrophobicContact CG-CB 4.07Å; I452-A458 HydrophobicContact CG2-CB 4.03Å; S456-A458 PolarHBondContact OG-N 2.75Å; A458-K460 PolarHBondContact O-N 3.18Å; A458-D461 PolarHBondContact O-N 3.37Å; A458-G462 PolarHBondContact O-N 3.37Å; A458-I464 HydrophobicContact CB-CD1 4.14Å
459A82.5Confident83.1Confident42 Ų4260.7 Ų60.735%0.34733%0.325SS..Hα-helixtrans-67-22176.900000114.1I452 D453 S456 I457I452-A459 HydrophobicContact CG2-CB 3.97Å; D453-A459 VanDerWaalsContact O-CB 3.23Å; D453-A459 WeakPolarHBondContact O-CB 3.31Å; S456-A459 PolarHBondContact OG-N 2.77Å; I457-A459 PolarHBondContact O-N 2.98Å
460K80.8Confident83.1Confident158 Ų15860.8 Ų60.869%0.68733%0.325SS*.Hα-helixtrans-86.9-29176-72.9172.3-168.6126.70112.7N455 S456 I457 A458N455-K460 WeakPolarHBondContact O-CE 3.43Å; N455-K460 PolarHBondContact O-NZ 3.33Å; S456-K460 WeakPolarHBondContact O-CD 3.18Å; S456-K460 WeakPolarHBondContact O-CE 3.26Å; S456-K460 WeakPolarHBondContact O-CG 3.45Å; S456-K460 PolarHBondContact O-NZ 2.74Å; S456-K460 VanDerWaalsContact O-NZ 3.07Å; I457-K460 PolarHBondContact O-N 3.01Å; I457-K460 VanDerWaalsContact O-N 3.09Å; A458-K460 PolarHBondContact O-N 3.18Å
461D83.8Confident83.3Confident56 Ų5659.7 Ų59.730%0.29932%0.316SS..Hα-helixtrans-74.3-44.9173.6-175.1-86.7000111L422 I457 A458 R463L422-D461 HydrophobicContact CD2-CB 3.66Å; I457-D461 PolarHBondContact O-N 2.97Å; A458-D461 PolarHBondContact O-N 3.37Å; D461-R463 PolarHBondContact O-N 2.83Å; D461-R463 WeakPolarHBondContact OD1-CB 3.49Å; D461-R463 WeakPolarHBondContact OD1-CG 3.34Å; D461-R463 IonicContact OD1-CZ 2.72Å; D461-R463 PolarHBondContact OD1-N 2.92Å; D461-R463 IonicContact OD1-NE 3.13Å; D461-R463 PolarHBondContact OD1-NE 3.08Å; D461-R463 IonicContact OD1-NH2 2.59Å; D461-R463 PolarHBondContact OD1-NH2 3.03Å; D461-R463 IonicContact OD2-CZ 3.59Å; D461-R463 IonicContact OD2-NE 3.71Å; D461-R463 PolarHBondContact OD2-NE 3.28Å; D461-R463 IonicContact OD2-NH2 2.72Å; D461-R463 PolarHBondContact OD2-NH2 3.06Å
462G78.6Confident83.7Confident50 Ų5057.7 Ų57.752%0.51531%0.307SS..  trans75.30.4167.500000116.1A458A458-G462 PolarHBondContact O-N 3.37Å
463R81.8Confident83.8Confident80 Ų8056.5 Ų56.530%0.30230%0.301SS..  trans-69.5-48.3169.2-71.6177.9-78.7174.2-5.3111.4E418 E419 V420 D421 D461E418-R463 WeakPolarHBondContact OE1-CD 3.34Å; E418-R463 WeakPolarHBondContact OE1-CG 3.43Å; E419-R463 PolarHBondContact O-NH1 3.44Å; V420-R463 HydrophobicContact CG1-CB 4.3Å; V420-R463 HydrophobicContact CG2-CB 3.78Å; D421-R463 PolarHBondContact O-NH2 3.21Å; D461-R463 PolarHBondContact O-N 2.83Å; D461-R463 WeakPolarHBondContact OD1-CB 3.49Å; D461-R463 WeakPolarHBondContact OD1-CG 3.34Å; D461-R463 IonicContact OD1-CZ 2.72Å; D461-R463 PolarHBondContact OD1-N 2.92Å; D461-R463 IonicContact OD1-NE 3.13Å; D461-R463 PolarHBondContact OD1-NE 3.08Å; D461-R463 IonicContact OD1-NH2 2.59Å; D461-R463 PolarHBondContact OD1-NH2 3.03Å; D461-R463 IonicContact OD2-CZ 3.59Å; D461-R463 IonicContact OD2-NE 3.71Å; D461-R463 PolarHBondContact OD2-NE 3.28Å; D461-R463 IonicContact OD2-NH2 2.72Å; D461-R463 PolarHBondContact OD2-NH2 3.06Å
464I86.9Confident83.9Confident8 Ų855.9 Ų55.94%0.04130%0.298CS..  trans-67139.6-179.3-47-173.6000111.8V420 L422 L433 I449 I452 A458 L498 I500V420-I464 HydrophobicContact CB-CD1 4.37Å; V420-I464 HydrophobicContact CB-CG1 4.2Å; V420-I464 HydrophobicContact CG1-CD1 3.86Å; V420-I464 HydrophobicContact CG1-CG1 3.74Å; V420-I464 HydrophobicContact CG2-CG1 4.15Å; L422-I464 HydrophobicContact CD1-CD1 3.8Å; L422-I464 HydrophobicContact CD2-CD1 4.2Å; L422-I464 HydrophobicContact CG-CD1 4.29Å; L433-I464 HydrophobicContact CD1-CD1 4.41Å; L433-I464 HydrophobicContact CD2-CG2 4.06Å; I449-I464 HydrophobicContact CD1-CG2 3.33Å; I452-I464 HydrophobicContact CD1-CB 4.29Å; I452-I464 HydrophobicContact CD1-CG2 3.92Å; I452-I464 WeakPolarHBondContact CD1-O 3.12Å; A458-I464 HydrophobicContact CB-CD1 4.14Å; I464-L498 HydrophobicContact CD1-CD1 3.75Å; I464-I500 HydrophobicContact CB-CD1 4.35Å; I464-I500 HydrophobicContact CD1-CD1 4.07Å; I464-I500 HydrophobicContact CG1-CD1 3.81Å; I464-I500 HydrophobicContact CG2-CD1 3.97Å
465R85Confident83.9Confident126 Ų12653.2 Ų53.248%0.47529%0.29SS..  trans-130.1167.1-177.8-53.1178.9-171.9161.88.2112.1D468R465-D468 PolarHBondContact N-OD2 3.08Å; R465-D468 WeakPolarHBondContact O-CB 3.32Å
466E84.6Confident84.2Confident124 Ų12450.2 Ų50.258%0.57927%0.273SS*.THydrogen-bonded Turntrans-78.8133.2169.7-64170.9169.100108.8E451 I452E451-E466 WeakPolarHBondContact CA-OE1 3.49Å; I452-E466 HydrophobicContact CD1-CG 4.39Å; I452-E466 HydrophobicContact CG1-CG 3.98Å; I452-E466 PolarHBondContact N-OE1 3.21Å
467G79.3Confident84Confident38 Ų3855 Ų5539%0.39230%0.295SS..THydrogen-bonded Turntrans98.2-13-170.700000115I449 P503I449-G467 PolarHBondContact O-N 2.9Å; G467-P503 WeakPolarHBondContact O-CD 3.32Å
468D87.6Confident83.8Confident7 Ų754.4 Ų54.44%0.03729%0.292CS..PPolyproline II helixtrans-64.5138.9178.3-77.4-1.6000112.2Y448 I449 R465 I500Y448-D468 CarbonylContact C-O 3.5Å; Y448-D468 WeakPolarHBondContact CA-O 3.48Å; I449-D468 HydrophobicContact CB-CB 4.49Å; I449-D468 HydrophobicContact CD1-CB 4.14Å; I449-D468 HydrophobicContact CG1-CB 4.5Å; I449-D468 PolarHBondContact N-O 2.91Å; R465-D468 PolarHBondContact N-OD2 3.08Å; R465-D468 WeakPolarHBondContact O-CB 3.32Å; D468-I500 HydrophobicContact CB-CG2 3.62Å
469R87.1Confident83.2Confident61 Ų6160 Ų6023%0.2332%0.319CS..EExtended strand (participates in β ladder)trans-95.4125176-171.3-176.5177.2118.2-3.6110.4D444 G446 I447 Y448 I471 I500 A501D444-R469 VanDerWaalsContact CG-NH1 3.3Å; D444-R469 IonicContact OD1-CZ 2.83Å; D444-R469 IonicContact OD1-NH1 3.44Å; D444-R469 PolarHBondContact OD1-NH1 2.93Å; D444-R469 IonicContact OD1-NH2 2.64Å; D444-R469 PolarHBondContact OD1-NH2 3.05Å; D444-R469 VanDerWaalsContact OD1-NH2 3.13Å; D444-R469 IonicContact OD2-NH1 3.53Å; D444-R469 PolarHBondContact OD2-NH1 2.83Å; D444-R469 VanDerWaalsContact OD2-NH1 3.13Å; G446-R469 VanDerWaalsContact CA-NH2 3.33Å; I447-R469 CarbonylContact O-C 3.55Å; I447-R469 WeakPolarHBondContact O-CA 3.32Å; Y448-R469 HydrophobicContact CD1-CB 3.9Å; Y448-R469 HydrophobicContact CD1-CG 4.32Å; Y448-R469 HydrophobicContact CE1-CB 3.61Å; Y448-R469 HydrophobicContact CE1-CG 3.92Å; Y448-R469 PolarHBondContact OH-NH1 3.17Å; R469-I471 HydrophobicContact CG-CD1 3.91Å; R469-I500 CarbonylContact O-C 3.57Å; R469-I500 WeakPolarHBondContact O-CA 3.48Å; R469-A501 HydrophobicContact CB-CB 4.38Å; R469-A501 WeakPolarHBondContact CB-O 3.3Å; R469-A501 PolarHBondContact N-O 3.31Å; R469-A501 PolarHBondContact O-N 3.08Å
470I88.1Confident82.8Confident3 Ų361.7 Ų61.72%0.01532%0.322CS..EExtended strand (participates in β ladder)trans-81.7125.3174-55176.3000108.8V435 I447 I449 I473V435-I470 HydrophobicContact CG2-CD1 4.36Å; I447-I470 HydrophobicContact CG2-CB 4.49Å; I447-I470 PolarHBondContact O-N 3.5Å; I449-I470 HydrophobicContact CD1-CD1 4.17Å; I449-I470 HydrophobicContact CD1-CG1 4.02Å; I449-I470 HydrophobicContact CG1-CD1 3.92Å; I449-I470 HydrophobicContact CG1-CG1 3.92Å; I470-I473 HydrophobicContact CG2-CD1 4.02Å; I470-I473 HydrophobicContact CG2-CG1 3.74Å
471I86.5Confident82.3Confident16 Ų1656.5 Ų56.58%0.08230%0.298CS..EExtended strand (participates in β ladder)trans-104.9-47177.8-50.8-59.6000110.7M410 L417 R469 V478 L499 A501M410-I471 HydrophobicContact SD-CG2 4.37Å; L417-I471 HydrophobicContact CD2-CG1 4.45Å; R469-I471 HydrophobicContact CG-CD1 3.91Å; I471-V478 PolarHBondContact O-N 3.16Å; I471-V478 VanDerWaalsContact O-N 3.1Å; I471-L499 HydrophobicContact CB-CD2 4.43Å; I471-L499 HydrophobicContact CB-CG 4.43Å; I471-L499 HydrophobicContact CG2-CD2 4.4Å; I471-L499 PolarHBondContact N-O 2.87Å; I471-A501 HydrophobicContact CD1-CB 3.92Å; I471-A501 HydrophobicContact CG1-CB 3.81Å
472Q88.7Confident81.9Confident67 Ų6760 Ų6031%0.31331%0.312SS..EExtended strand (participates in β ladder)trans-136.4152.8179-50.7-172-0.600112.8I476 L498 L499Q472-I476 CarbonylContact C-O 3.59Å; Q472-I476 WeakPolarHBondContact CA-O 3.36Å; Q472-I476 WeakPolarHBondContact CB-O 2.97Å; Q472-L498 WeakPolarHBondContact O-CA 3.4Å; Q472-L499 HydrophobicContact CB-CB 3.85Å; Q472-L499 HydrophobicContact CG-CB 4.16Å; Q472-L499 HydrophobicContact CG-CD2 4.03Å; Q472-L499 PolarHBondContact N-O 3.21Å; Q472-L499 PolarHBondContact O-N 3.36Å
473I88.5Confident82Confident0 Ų061.2 Ų61.20%031%0.305CS..EExtended strand (participates in β ladder)trans-132.2117.1174-54.7-178.4000108.2I470 G475 I476 V478 A484 L487 L488 S497 L498I470-I473 HydrophobicContact CG2-CD1 4.02Å; I470-I473 HydrophobicContact CG2-CG1 3.74Å; I473-G475 VanDerWaalsContact C-N 3.25Å; I473-G475 PolarHBondContact O-N 2.79Å; I473-I476 PolarHBondContact N-O 2.77Å; I473-I476 WeakPolarHBondContact O-CB 3.29Å; I473-I476 PolarHBondContact O-N 2.9Å; I473-I476 VanDerWaalsContact O-N 3.08Å; I473-V478 HydrophobicContact CB-CG2 4.02Å; I473-V478 HydrophobicContact CD1-CG2 3.96Å; I473-V478 HydrophobicContact CG1-CG2 3.71Å; I473-A484 HydrophobicContact CD1-CB 4.37Å; I473-L487 HydrophobicContact CB-CB 4.25Å; I473-L487 HydrophobicContact CB-CD1 4.14Å; I473-L487 HydrophobicContact CD1-CB 4.42Å; I473-L487 HydrophobicContact CG2-CB 3.84Å; I473-L488 HydrophobicContact CD1-CD1 4.25Å; I473-L488 HydrophobicContact CD1-CD2 4.05Å; I473-L488 HydrophobicContact CD1-CG 3.83Å; I473-L488 HydrophobicContact CG2-CD2 4.32Å; I473-S497 WeakPolarHBondContact CA-O 3.47Å; I473-L498 HydrophobicContact CB-CD2 4.19Å; I473-L498 HydrophobicContact CD1-CD2 4.37Å; I473-L498 HydrophobicContact CG1-CD2 3.79Å; I473-L498 HydrophobicContact CG2-CD2 3.87Å
474N84.4Confident81.9Confident57 Ų5757.5 Ų57.531%0.30529%0.291SS..THydrogen-bonded Turntrans51.740.5-174.3-72-27.6000113.5I476 N493 N495 F496 S497N474-I476 VanDerWaalsContact C-N 3.25Å; N474-I476 PolarHBondContact O-N 2.97Å; N474-N493 PolarHBondContact ND2-ND2 3.04Å; N474-N495 PolarHBondContact ND2-O 3.13Å; N474-N495 PolarHBondContact OD1-O 2.98Å; N474-F496 VanDerWaalsContact OD1-CA 3.27Å; N474-F496 WeakPolarHBondContact OD1-CA 3.41Å; N474-S497 PolarHBondContact N-O 3.34Å; N474-S497 PolarHBondContact OD1-N 2.85Å
475G77.4Confident81.5Confident54 Ų5458.8 Ų58.856%0.55730%0.299SS*.THydrogen-bonded Turntrans73.59.1-178.900000115.2I473I473-G475 VanDerWaalsContact C-N 3.25Å; I473-G475 PolarHBondContact O-N 2.79Å
476I82Confident81.3Confident79 Ų7955.5 Ų55.541%0.40530%0.299SS..EExtended strand (participates in β ladder)trans-99.5121.2171.7-58173000107.6Q472 I473 N474 V478 L487Q472-I476 CarbonylContact C-O 3.59Å; Q472-I476 WeakPolarHBondContact CA-O 3.36Å; Q472-I476 WeakPolarHBondContact CB-O 2.97Å; I473-I476 PolarHBondContact N-O 2.77Å; I473-I476 WeakPolarHBondContact O-CB 3.29Å; I473-I476 PolarHBondContact O-N 2.9Å; I473-I476 VanDerWaalsContact O-N 3.08Å; N474-I476 VanDerWaalsContact C-N 3.25Å; N474-I476 PolarHBondContact O-N 2.97Å; I476-V478 VanDerWaalsContact O-CG2 3.31Å; I476-V478 WeakPolarHBondContact O-CG2 3.44Å; I476-L487 HydrophobicContact CB-CD1 4.07Å; I476-L487 HydrophobicContact CD1-CD1 4.37Å; I476-L487 HydrophobicContact CD1-CD2 3.79Å; I476-L487 HydrophobicContact CG2-CD1 3.99Å
477E81.6Confident81.1Confident105 Ų10551.2 Ų51.249%0.49128%0.28SS..EExtended strand (participates in β ladder)trans-64.4133.4169.9-176-170.4-122.900109.9Q479E477-Q479 HydrophobicContact CG-CG 4.48Å; E477-Q479 PolarHBondContact OE2-NE2 3.2Å
478V79.5Confident81.2Confident11 Ų1149.5 Ų49.57%0.06726%0.262CS..  trans-115.9110.2-170.6-170.70000110.9I447 I471 I473 I476 E483 A484 L487I447-V478 HydrophobicContact CD1-CB 4.49Å; I447-V478 HydrophobicContact CD1-CG1 3.8Å; I471-V478 PolarHBondContact O-N 3.16Å; I471-V478 VanDerWaalsContact O-N 3.1Å; I473-V478 HydrophobicContact CB-CG2 4.02Å; I473-V478 HydrophobicContact CD1-CG2 3.96Å; I473-V478 HydrophobicContact CG1-CG2 3.71Å; I476-V478 VanDerWaalsContact O-CG2 3.31Å; I476-V478 WeakPolarHBondContact O-CG2 3.44Å; V478-E483 HydrophobicContact CG1-CB 4.22Å; V478-E483 HydrophobicContact CG1-CG 4.2Å; V478-A484 HydrophobicContact CG1-CB 3.63Å; V478-L487 HydrophobicContact CG2-CD1 3.8Å
479Q71.6Confident80.4Confident118 Ų11851.1 Ų51.155%0.55127%0.272SS*.  trans-101.4-11.8-173.3-59.9-178.55.600113.1E477 E483E477-Q479 HydrophobicContact CG-CG 4.48Å; E477-Q479 PolarHBondContact OE2-NE2 3.2Å; Q479-E483 PolarHBondContact N-OE2 3.28Å
480N74.8Confident79.9Confident77 Ų7749.8 Ų49.841%0.41227%0.272SS..SBendtrans-139.9145.4-176.5-58.1-92.4000112.6I447 E482 E483 A484I447-N480 VanDerWaalsContact CD1-C 3.46Å; N480-E482 VanDerWaalsContact C-N 3.29Å; N480-E482 PolarHBondContact O-N 2.93Å; N480-E483 HydrophobicContact CB-CB 4.45Å; N480-E483 WeakPolarHBondContact O-CB 3.45Å; N480-E483 PolarHBondContact O-N 2.67Å; N480-E483 VanDerWaalsContact O-N 3.11Å; N480-A484 PolarHBondContact O-N 2.83Å
481R70.4Confident78.7Confident49 Ų4955.7 Ų55.719%0.18530%0.299CS..Hα-helixtrans-55-38.9176.7171.5175170.1153.4-9.5113.5Y437 E483 A484 V485 T1065 V1066Y437-R481 HydrophobicContact CE1-CB 4.28Å; Y437-R481 HydrophobicContact CE2-CB 3.75Å; Y437-R481 HydrophobicContact CE2-CG 4.41Å; Y437-R481 VanDerWaalsContact CZ-CB 3.48Å; Y437-R481 WeakPolarHBondContact OH-CB 3.1Å; Y437-R481 PolarHBondContact OH-N 2.79Å; R481-E483 VanDerWaalsContact C-N 3.3Å; R481-E483 PolarHBondContact O-N 3.15Å; R481-A484 PolarHBondContact O-N 3.08Å; R481-V485 WeakPolarHBondContact O-CB 3.41Å; R481-V485 VanDerWaalsContact O-CG2 3.23Å; R481-V485 WeakPolarHBondContact O-CG2 3.29Å; R481-V485 PolarHBondContact O-N 3.09Å; R481-T1065 PolarHBondContact NH2-OG1 3.07Å; R481-V1066 PolarHBondContact NH1-O 3.11Å; R481-V1066 PolarHBondContact NH2-O 3.02Å
482E76Confident77.8Confident129 Ų12963.6 Ų63.660%0.60334%0.336SS*.Hα-helixtrans-64.8-36.9179.4-6964.2-145.800111.7N480 A486N480-E482 VanDerWaalsContact C-N 3.29Å; N480-E482 PolarHBondContact O-N 2.93Å; E482-A486 WeakPolarHBondContact O-CB 3.28Å; E482-A486 PolarHBondContact O-N 2.84Å
483E79.9Confident77Confident77 Ų7763.1 Ų63.136%0.3634%0.336SS..Hα-helixtrans-73.5-44.4176.6-175.1168.7-130.800110.9V478 Q479 N480 R481 V485 A486 L487V478-E483 HydrophobicContact CG1-CB 4.22Å; V478-E483 HydrophobicContact CG1-CG 4.2Å; Q479-E483 PolarHBondContact N-OE2 3.28Å; N480-E483 HydrophobicContact CB-CB 4.45Å; N480-E483 WeakPolarHBondContact O-CB 3.45Å; N480-E483 PolarHBondContact O-N 2.67Å; N480-E483 VanDerWaalsContact O-N 3.11Å; R481-E483 VanDerWaalsContact C-N 3.3Å; R481-E483 PolarHBondContact O-N 3.15Å; E483-V485 PolarHBondContact O-N 3.03Å; E483-A486 PolarHBondContact O-N 3.31Å; E483-L487 HydrophobicContact CG-CD1 4.23Å; E483-L487 WeakPolarHBondContact O-CG 3.22Å; E483-L487 PolarHBondContact O-N 3.47Å
484A80.3Confident76.5Confident1 Ų169.2 Ų69.21%0.00836%0.362CS..Hα-helixtrans-54.3-50.5172.500000111.8I447 I473 V478 N480 R481 L487 L488I447-A484 HydrophobicContact CD1-CB 4.12Å; I447-A484 HydrophobicContact CG2-CB 4.29Å; I473-A484 HydrophobicContact CD1-CB 4.37Å; V478-A484 HydrophobicContact CG1-CB 3.63Å; N480-A484 PolarHBondContact O-N 2.83Å; R481-A484 PolarHBondContact O-N 3.08Å; A484-L487 PolarHBondContact O-N 3.35Å; A484-L488 WeakPolarHBondContact O-CB 3.33Å; A484-L488 VanDerWaalsContact O-CG 3.24Å; A484-L488 WeakPolarHBondContact O-CG 3.41Å; A484-L488 PolarHBondContact O-N 3.38Å
485V78.1Confident76.3Confident36 Ų3670.9 Ų70.922%0.21837%0.371CS..Hα-helixtrans-63.9-42.8179173.30000110.6R481 E483 L488 T489 V1063 T1065R481-V485 WeakPolarHBondContact O-CB 3.41Å; R481-V485 VanDerWaalsContact O-CG2 3.23Å; R481-V485 WeakPolarHBondContact O-CG2 3.29Å; R481-V485 PolarHBondContact O-N 3.09Å; E483-V485 PolarHBondContact O-N 3.03Å; V485-L488 PolarHBondContact O-N 3.38Å; V485-T489 HydrophobicContact CG1-CG2 4.19Å; V485-T489 VanDerWaalsContact O-CB 3.28Å; V485-T489 WeakPolarHBondContact O-CB 3.43Å; V485-T489 WeakPolarHBondContact O-CG2 3.49Å; V485-T489 PolarHBondContact O-N 3.03Å; V485-T489 PolarHBondContact O-OG1 2.91Å; V485-V1063 HydrophobicContact CG2-CG1 4.01Å; V485-T1065 HydrophobicContact CG2-CG2 4Å
486A79.9Confident76.7Confident57 Ų5768.3 Ų68.347%0.47135%0.345SS..Hα-helixtrans-61.2-46.4177.800000112.4E482 E483 T489 S490E482-A486 WeakPolarHBondContact O-CB 3.28Å; E482-A486 PolarHBondContact O-N 2.84Å; E483-A486 PolarHBondContact O-N 3.31Å; A486-T489 PolarHBondContact O-N 3.12Å; A486-T489 PolarHBondContact O-OG1 2.88Å; A486-S490 PolarHBondContact O-N 2.64Å; A486-S490 VanDerWaalsContact O-N 3.14Å
487L82.1Confident76.9Confident33 Ų3365.3 Ų65.317%0.17333%0.331CS..Hα-helixtrans-65.4-43.3179-66.7174.1000111.8I473 I476 V478 E483 A484 T489 F496I473-L487 HydrophobicContact CB-CB 4.25Å; I473-L487 HydrophobicContact CB-CD1 4.14Å; I473-L487 HydrophobicContact CD1-CB 4.42Å; I473-L487 HydrophobicContact CG2-CB 3.84Å; I476-L487 HydrophobicContact CB-CD1 4.07Å; I476-L487 HydrophobicContact CD1-CD1 4.37Å; I476-L487 HydrophobicContact CD1-CD2 3.79Å; I476-L487 HydrophobicContact CG2-CD1 3.99Å; V478-L487 HydrophobicContact CG2-CD1 3.8Å; E483-L487 HydrophobicContact CG-CD1 4.23Å; E483-L487 WeakPolarHBondContact O-CG 3.22Å; E483-L487 PolarHBondContact O-N 3.47Å; A484-L487 PolarHBondContact O-N 3.35Å; L487-T489 VanDerWaalsContact C-N 3.27Å; L487-T489 PolarHBondContact O-N 2.86Å; L487-F496 WeakPolarHBondContact O-CE1 3.49Å
488L80Confident77.3Confident2 Ų260.3 Ų60.31%0.0131%0.308CS..Hα-helixtrans-68.7-19.2175.6-67.8172.6000113.9R424 L431 I473 A484 V485 F496 L498 V1063R424-L488 PolarHBondContact NH2-O 3.39Å; L431-L488 HydrophobicContact CD1-CD2 3.92Å; I473-L488 HydrophobicContact CD1-CD1 4.25Å; I473-L488 HydrophobicContact CD1-CD2 4.05Å; I473-L488 HydrophobicContact CD1-CG 3.83Å; I473-L488 HydrophobicContact CG2-CD2 4.32Å; A484-L488 WeakPolarHBondContact O-CB 3.33Å; A484-L488 VanDerWaalsContact O-CG 3.24Å; A484-L488 WeakPolarHBondContact O-CG 3.41Å; A484-L488 PolarHBondContact O-N 3.38Å; V485-L488 PolarHBondContact O-N 3.38Å; L488-F496 HydrophobicContact CD2-CD1 4.49Å; L488-L498 HydrophobicContact CD2-CD2 4Å; L488-V1063 HydrophobicContact CB-CG2 4.2Å; L488-V1063 HydrophobicContact CD1-CG2 4.48Å
489T72.1Confident77.7Confident42 Ų4261.7 Ų61.726%0.25831%0.314SS..Hα-helixtrans-108.51.4-176.159.50000114.7V485 A486 L487 E491 L1061 V1063V485-T489 HydrophobicContact CG1-CG2 4.19Å; V485-T489 VanDerWaalsContact O-CB 3.28Å; V485-T489 WeakPolarHBondContact O-CB 3.43Å; V485-T489 WeakPolarHBondContact O-CG2 3.49Å; V485-T489 PolarHBondContact O-N 3.03Å; V485-T489 PolarHBondContact O-OG1 2.91Å; A486-T489 PolarHBondContact O-N 3.12Å; A486-T489 PolarHBondContact O-OG1 2.88Å; L487-T489 VanDerWaalsContact C-N 3.27Å; L487-T489 PolarHBondContact O-N 2.86Å; T489-E491 PolarHBondContact O-N 3.19Å; T489-L1061 HydrophobicContact CG2-CD2 3.4Å; T489-L1061 VanDerWaalsContact CG2-CD2 3.4Å; T489-V1063 HydrophobicContact CG2-CG2 4.16Å
490S75.6Confident78.5Confident33 Ų3356.1 Ų56.123%0.23129%0.288CS..  trans-54.9129.4168.7-179.90000111.8R424 A486 E492R424-S490 PolarHBondContact NH1-O 2.99Å; A486-S490 PolarHBondContact O-N 2.64Å; A486-S490 VanDerWaalsContact O-N 3.14Å; S490-E492 PolarHBondContact OG-N 2.84Å
491E64.1Low79.1Confident126 Ų12652.5 Ų52.559%0.58927%0.269SS*.SBendtrans-81.6-16.9172.7-65.9-167146.400112.7T489 F1060T489-E491 PolarHBondContact O-N 3.19Å; E491-F1060 WeakPolarHBondContact OE1-CD2 3.37Å
492E66.3Low79.6Confident182 Ų18251.5 Ų51.585%0.8527%0.265SS*.SBendtrans-75.4-28.1-179.1-58.9-172168.900111.7S490S490-E492 PolarHBondContact OG-N 2.84Å
493N72.3Confident78.8Confident58 Ų5847.2 Ų47.231%0.3125%0.248SC..  trans-88.2120.7-180-68.1-24.3000111.5N474 F496N474-N493 PolarHBondContact ND2-ND2 3.04Å; N493-F496 HydrophobicContact CB-CE1 4Å; N493-F496 HydrophobicContact CB-CE2 4.27Å; N493-F496 HydrophobicContact CB-CZ 3.72Å; N493-F496 VanDerWaalsContact O-CE2 3.22Å; N493-F496 WeakPolarHBondContact O-CE2 3.41Å; N493-F496 VanDerWaalsContact O-CZ 3.27Å; N493-F496 WeakPolarHBondContact O-CZ 3.44Å
494K77.5Confident77.2Confident127 Ų12751.1 Ų51.155%0.55227%0.267SS*.SBendtrans-96-22.8168.1-64.2-174.2-179.2-176.20113.1Y423 R424Y423-K494 HydrophobicContact CE2-CB 4.48Å; R424-K494 PolarHBondContact N-O 3.34Å
495N81.3Confident75.4Confident92 Ų9258.2 Ų58.249%0.49230%0.304SS..EExtended strand (participates in β ladder)trans-108.5141.4177.6-5932.2000108.2Y423 N474Y423-N495 WeakPolarHBondContact CD2-OD1 3.45Å; Y423-N495 VanDerWaalsContact CE2-OD1 3.27Å; Y423-N495 WeakPolarHBondContact CE2-OD1 3.5Å; N474-N495 PolarHBondContact ND2-O 3.13Å; N474-N495 PolarHBondContact OD1-O 2.98Å
496F85.4Confident73.4Confident0 Ų065.5 Ų65.50%034%0.336CS..EExtended strand (participates in β ladder)trans-134.697.5176-62.4-95.9000107.8V420 L422 R424 L431 N474 L487 L488 N493V420-F496 VanDerWaalsContact O-O 3.11Å; L422-F496 HydrophobicContact CB-CB 4.36Å; L422-F496 PolarHBondContact N-O 3.47Å; L422-F496 PolarHBondContact O-N 3.33Å; R424-F496 HydrophobicContact CG-CD2 4.47Å; R424-F496 HydrophobicContact CG-CE2 3.95Å; L431-F496 HydrophobicContact CD1-CD1 3.96Å; L431-F496 HydrophobicContact CD1-CD2 4.08Å; L431-F496 HydrophobicContact CD1-CE1 4.15Å; L431-F496 HydrophobicContact CD1-CE2 4.3Å; L431-F496 HydrophobicContact CD1-CG 3.94Å; L431-F496 HydrophobicContact CD1-CZ 4.34Å; L431-F496 HydrophobicContact CD2-CD2 4.04Å; L431-F496 HydrophobicContact CD2-CG 4.45Å; N474-F496 VanDerWaalsContact OD1-CA 3.27Å; N474-F496 WeakPolarHBondContact OD1-CA 3.41Å; L487-F496 WeakPolarHBondContact O-CE1 3.49Å; L488-F496 HydrophobicContact CD2-CD1 4.49Å; N493-F496 HydrophobicContact CB-CE1 4Å; N493-F496 HydrophobicContact CB-CE2 4.27Å; N493-F496 HydrophobicContact CB-CZ 3.72Å; N493-F496 VanDerWaalsContact O-CE2 3.22Å; N493-F496 WeakPolarHBondContact O-CE2 3.41Å; N493-F496 VanDerWaalsContact O-CZ 3.27Å; N493-F496 WeakPolarHBondContact O-CZ 3.44Å
497S86.8Confident71.4Confident17 Ų1771.3 Ų71.312%0.11936%0.358CS..EExtended strand (participates in β ladder)trans-74.6130.4161.6151.40000107.5E419 I473 N474E419-S497 WeakPolarHBondContact OE1-CB 3.45Å; E419-S497 PolarHBondContact OE1-OG 3.08Å; I473-S497 WeakPolarHBondContact CA-O 3.47Å; N474-S497 PolarHBondContact N-O 3.34Å; N474-S497 PolarHBondContact OD1-N 2.85Å
498L89.3Confident69.1Low0 Ų074.1 Ų74.10%037%0.373CS..EExtended strand (participates in β ladder)trans-122.5117.9176.5-59.2175.4000108E419 V420 L422 L433 I464 Q472 I473 L488 I500E419-L498 WeakPolarHBondContact CA-O 3.27Å; V420-L498 PolarHBondContact N-O 3.23Å; V420-L498 PolarHBondContact O-N 3.03Å; L422-L498 HydrophobicContact CD1-CD1 3.83Å; L422-L498 HydrophobicContact CG-CD1 4.37Å; L433-L498 HydrophobicContact CD1-CD1 4.12Å; I464-L498 HydrophobicContact CD1-CD1 3.75Å; Q472-L498 WeakPolarHBondContact O-CA 3.4Å; I473-L498 HydrophobicContact CB-CD2 4.19Å; I473-L498 HydrophobicContact CD1-CD2 4.37Å; I473-L498 HydrophobicContact CG1-CD2 3.79Å; I473-L498 HydrophobicContact CG2-CD2 3.87Å; L488-L498 HydrophobicContact CD2-CD2 4Å; L498-I500 HydrophobicContact CB-CD1 4.3Å; L498-I500 HydrophobicContact CB-CG1 4.37Å
499L87.6Confident66.9Low40 Ų4084.2 Ų84.221%0.20942%0.42CS..EExtended strand (participates in β ladder)trans-87.5115.9167.7-174.265.1000108.1L417 E419 I471 Q472L417-L499 HydrophobicContact CB-CD1 4.5Å; L417-L499 HydrophobicContact CD2-CD1 4.32Å; L417-L499 HydrophobicContact CD2-CG 4.26Å; E419-L499 HydrophobicContact CB-CD1 4.46Å; I471-L499 HydrophobicContact CB-CD2 4.43Å; I471-L499 HydrophobicContact CB-CG 4.43Å; I471-L499 HydrophobicContact CG2-CD2 4.4Å; I471-L499 PolarHBondContact N-O 2.87Å; Q472-L499 HydrophobicContact CB-CB 3.85Å; Q472-L499 HydrophobicContact CG-CB 4.16Å; Q472-L499 HydrophobicContact CG-CD2 4.03Å; Q472-L499 PolarHBondContact N-O 3.21Å; Q472-L499 PolarHBondContact O-N 3.36Å
500I89.6Confident64.9Low0 Ų084.5 Ų84.50%043%0.431CS..EExtended strand (participates in β ladder)trans-113.6136.2-176.5-72.6166.1000109L417 E418 V420 I449 I464 D468 R469 L498L417-I500 CarbonylContact C-O 3.47Å; L417-I500 VanDerWaalsContact CA-O 3.31Å; L417-I500 WeakPolarHBondContact CA-O 3.06Å; E418-I500 PolarHBondContact N-O 2.99Å; E418-I500 PolarHBondContact O-N 3.39Å; V420-I500 HydrophobicContact CG2-CD1 4.23Å; I449-I500 HydrophobicContact CD1-CD1 4.43Å; I464-I500 HydrophobicContact CB-CD1 4.35Å; I464-I500 HydrophobicContact CD1-CD1 4.07Å; I464-I500 HydrophobicContact CG1-CD1 3.81Å; I464-I500 HydrophobicContact CG2-CD1 3.97Å; D468-I500 HydrophobicContact CB-CG2 3.62Å; R469-I500 CarbonylContact O-C 3.57Å; R469-I500 WeakPolarHBondContact O-CA 3.48Å; L498-I500 HydrophobicContact CB-CD1 4.3Å; L498-I500 HydrophobicContact CB-CG1 4.37Å
501A86.3Confident63Low1 Ų193.5 Ų93.51%0.00846%0.461CS..EExtended strand (participates in β ladder)trans-104.4124.416500000108.9L415 L417 R469 I471 P503L415-A501 HydrophobicContact CB-CB 4.19Å; L415-A501 HydrophobicContact CD1-CB 4.22Å; L417-A501 HydrophobicContact CD2-CB 3.84Å; R469-A501 HydrophobicContact CB-CB 4.38Å; R469-A501 WeakPolarHBondContact CB-O 3.3Å; R469-A501 PolarHBondContact N-O 3.31Å; R469-A501 PolarHBondContact O-N 3.08Å; I471-A501 HydrophobicContact CD1-CB 3.92Å; I471-A501 HydrophobicContact CG1-CB 3.81Å; A501-P503 WeakPolarHBondContact O-CD 3.16Å
502R81.6Confident61.9Low28 Ų2896.4 Ų96.411%0.10648%0.476CS..EExtended strand (participates in β ladder)trans-84119.7169.7-55.9-169.1-169.8140.77.6109.2L415 E416 E418 E504L415-R502 WeakPolarHBondContact CD2-O 3.46Å; E416-R502 HydrophobicContact CB-CB 4.3Å; E416-R502 PolarHBondContact O-N 3.26Å; E416-R502 IonicContact OE1-CZ 2.72Å; E416-R502 IonicContact OE1-NH1 3.09Å; E416-R502 PolarHBondContact OE1-NH1 2.87Å; E416-R502 IonicContact OE1-NH2 3.88Å; E416-R502 WeakPolarHBondContact OE2-CD 3.43Å; E416-R502 IonicContact OE2-CZ 3.02Å; E416-R502 IonicContact OE2-NE 2.62Å; E416-R502 IonicContact OE2-NH1 2.79Å; E416-R502 PolarHBondContact OE2-NH1 3.29Å; E418-R502 VanDerWaalsContact CD-NH2 3.32Å; E418-R502 IonicContact OE1-NH2 3.4Å; E418-R502 IonicContact OE2-CZ 3.32Å; E418-R502 IonicContact OE2-NE 3.42Å; E418-R502 IonicContact OE2-NH2 3.46Å; E418-R502 PolarHBondContact OE2-NH2 3.35Å; R502-E504 PolarHBondContact O-N 3.24Å
503P58.8Low60.7Low39 Ų3992.1 Ų92.125%0.25346%0.459SS..  trans-64.7132.2168.1-16.931.6000109.7Y448 G467 A501 L505Y448-P503 HydrophobicContact CE1-CG 3.96Å; G467-P503 WeakPolarHBondContact O-CD 3.32Å; A501-P503 WeakPolarHBondContact O-CD 3.16Å; P503-L505 PolarHBondContact O-N 2.9Å
504E46.6Very low59.4Low159 Ų15996.3 Ų96.374%0.74348%0.482SS*.  trans-66.1107.9168.6-162.7-176.9-143.500108.1R502 Q506R502-E504 PolarHBondContact O-N 3.24Å; E504-Q506 PolarHBondContact O-N 2.92Å
505L43.2Very low58.1Low151 Ų15198.4 Ų98.479%0.79150%0.499SS*.  trans-65.7110.5-173.8-82.6171.1000110.3P503 L507P503-L505 PolarHBondContact O-N 2.9Å; L505-L507 PolarHBondContact O-N 3.03Å
506Q36Very low56.6Low189 Ų189101.9 Ų101.988%0.88351%0.505SS*.  trans-54.4113.5166.3-72.2-176.5-6.800109.4E504 D508E504-Q506 PolarHBondContact O-N 2.92Å; Q506-D508 PolarHBondContact O-N 3.04Å
507L36.7Very low54.8Low179 Ų179106.5 Ų106.594%0.93753%0.53SS*.  trans-72.575.7176.1-74.4168.1000110.5L505L505-L507 PolarHBondContact O-N 3.03Å
508D33.3Very low53Low92 Ų92111.1 Ų111.149%0.49255%0.553SS.*  trans-145.976.1166.9-160.65.1000115.5Q506 G510 W511Q506-D508 PolarHBondContact O-N 3.04Å; D508-G510 PolarHBondContact OD1-N 2.99Å; D508-W511 PolarHBondContact OD1-NE1 2.87Å; D508-W511 VanDerWaalsContact OD2-CD1 3.29Å; D508-W511 PolarHBondContact OD2-NE1 2.85Å
509E34.3Very low51Low214 Ų214118 Ų118100%158%0.584SS**SBend-114.563.5129.8-77.4-154128.400108.1
510G30.7Very low49.3Very low48 Ų48120.9 Ų120.950%0.49560%0.599SS.*  trans-121.7-2.8-163.900000117.7D508 M512D508-G510 PolarHBondContact OD1-N 2.99Å; G510-M512 PolarHBondContact O-N 2.94Å
511W36Very low47.5Very low222 Ų222126.1 Ų126.184%0.84163%0.626SS**THydrogen-bonded Turntrans-64.614.4-165.7-82.887.3000118.8D508D508-W511 PolarHBondContact OD1-NE1 2.87Å; D508-W511 VanDerWaalsContact OD2-CD1 3.29Å; D508-W511 PolarHBondContact OD2-NE1 2.85Å
512M40Very low45.9Very low186 Ų186131.3 Ų131.392%0.91665%0.654SS**THydrogen-bonded Turntrans-151.964.4168.3-73.4-162.6173.200114.1G510G510-M512 PolarHBondContact O-N 2.94Å
513D40.7Very low44.4Very low92 Ų92133.9 Ų133.949%0.49267%0.669SS.*  trans-149.119.5161.1-117.6-32.2000114.1D515 R516D513-D515 VanDerWaalsContact C-N 3.34Å; D513-D515 PolarHBondContact O-N 3.34Å; D513-R516 PolarHBondContact O-N 3.07Å
514D45.8Very low44.4Very low147 Ų147137.7 Ų137.779%0.78668%0.684SS**Hα-helixtrans-60.6-35.9-175.5-142.932.2000112.9R516D514-R516 PolarHBondContact O-N 3.3Å
515D51.2Low44.7Very low171 Ų171135 Ų13591%0.91467%0.672SS**Hα-helixtrans-66.1-1.8177.9-79.2-40.7000114.5D513D513-D515 VanDerWaalsContact C-N 3.34Å; D513-D515 PolarHBondContact O-N 3.34Å
516R49.5Very low45.6Very low164 Ų164133 Ų13362%0.61966%0.662SS**Hα-helixtrans-123-25.6-165.7-167.4172174.2-154.4-6.9115.9D513 D514D513-R516 PolarHBondContact O-N 3.07Å; D514-R516 PolarHBondContact O-N 3.3Å
517N46.6Very low46.9Very low98 Ų98129.2 Ų129.252%0.52465%0.646SS.*Hα-helixtrans-81.1-35.7178.1-69.7-30.2000112.2F519 L520 D521N517-F519 PolarHBondContact O-N 2.82Å; N517-F519 VanDerWaalsContact O-N 3.13Å; N517-L520 WeakPolarHBondContact O-CA 3.29Å; N517-L520 PolarHBondContact O-N 2.9Å; N517-D521 PolarHBondContact O-N 3.1Å
518D49.9Very low48.4Very low114 Ų114124.8 Ų124.861%0.6162%0.623SS**Hα-helixtrans-47.7-43.2172.5-86.211.4000112L520 D521 D522D518-L520 VanDerWaalsContact C-N 3.31Å; D518-L520 PolarHBondContact O-N 2.99Å; D518-D521 PolarHBondContact O-N 2.97Å; D518-D522 VanDerWaalsContact O-CB 3.29Å; D518-D522 WeakPolarHBondContact O-CB 3.39Å; D518-D522 PolarHBondContact O-N 3.49Å
519F47.4Very low49.9Very low145 Ų145125.8 Ų125.864%0.63662%0.624SS**Hα-helixtrans-71.8-20.4-179.8-168.6-94.3000114.2N517 L523N517-F519 PolarHBondContact O-N 2.82Å; N517-F519 VanDerWaalsContact O-N 3.13Å; F519-L523 VanDerWaalsContact O-CB 3.29Å; F519-L523 WeakPolarHBondContact O-CB 3.33Å; F519-L523 PolarHBondContact O-N 3.12Å
520L51Low51.4Low100 Ų100121.6 Ų121.652%0.52461%0.605SS.*Hα-helixtrans-86.6-37.6174.3-76.4170.7000111.4N517 D518 L523 H524N517-L520 WeakPolarHBondContact O-CA 3.29Å; N517-L520 PolarHBondContact O-N 2.9Å; D518-L520 VanDerWaalsContact C-N 3.31Å; D518-L520 PolarHBondContact O-N 2.99Å; L520-L523 PolarHBondContact O-N 2.93Å; L520-H524 VanDerWaalsContact O-CB 3.27Å; L520-H524 WeakPolarHBondContact O-CB 3.47Å; L520-H524 PolarHBondContact O-N 3.45Å
521D52.8Low52.7Low109 Ų109125.5 Ų125.558%0.58361%0.61SS**Hα-helixtrans-72.4-39.7175.8-74.1-13.2000111.7N517 D518 L523 H524 M525N517-D521 PolarHBondContact O-N 3.1Å; D518-D521 PolarHBondContact O-N 2.97Å; D521-L523 VanDerWaalsContact C-N 3.35Å; D521-L523 PolarHBondContact O-N 3.38Å; D521-H524 PolarHBondContact O-N 2.84Å; D521-M525 WeakPolarHBondContact O-CB 3.33Å; D521-M525 WeakPolarHBondContact O-CG 3.41Å; D521-M525 PolarHBondContact O-N 3.09Å
522D51.4Low53.8Low110 Ų110120.1 Ų120.159%0.58859%0.594SS**Hα-helixtrans-56.7-47.8169-86.5-11.2000110.5D518 H524 M525 D526D518-D522 VanDerWaalsContact O-CB 3.29Å; D518-D522 WeakPolarHBondContact O-CB 3.39Å; D518-D522 PolarHBondContact O-N 3.49Å; D522-H524 PolarHBondContact O-N 2.91Å; D522-M525 PolarHBondContact O-N 2.9Å; D522-D526 WeakPolarHBondContact O-CB 3.29Å; D522-D526 PolarHBondContact O-N 3.09Å
523L50.4Low55.1Low82 Ų82115.6 Ų115.643%0.42957%0.571SS.*Hα-helixtrans-69-32.6-179.4-167.972.4000112.7F519 L520 D521 M527F519-L523 VanDerWaalsContact O-CB 3.29Å; F519-L523 WeakPolarHBondContact O-CB 3.33Å; F519-L523 PolarHBondContact O-N 3.12Å; L520-L523 PolarHBondContact O-N 2.93Å; D521-L523 VanDerWaalsContact C-N 3.35Å; D521-L523 PolarHBondContact O-N 3.38Å; L523-M527 WeakPolarHBondContact O-CB 3.49Å; L523-M527 WeakPolarHBondContact O-CG 3.41Å; L523-M527 PolarHBondContact O-N 3.07Å; L523-M527 VanDerWaalsContact O-N 3.11Å
524H57.8Low56.4Low120 Ų120116.8 Ų116.856%0.55657%0.573SS**Hα-helixtrans-69.1-41.1174.3-166.384.8000111L520 D521 D522 M527 L528L520-H524 VanDerWaalsContact O-CB 3.27Å; L520-H524 WeakPolarHBondContact O-CB 3.47Å; L520-H524 PolarHBondContact O-N 3.45Å; D521-H524 PolarHBondContact O-N 2.84Å; D522-H524 PolarHBondContact O-N 2.91Å; H524-M527 PolarHBondContact O-N 3.42Å; H524-L528 WeakPolarHBondContact O-CB 3.49Å; H524-L528 PolarHBondContact O-N 2.89Å
525M54Low57.3Low101 Ų101112.3 Ų112.350%0.49856%0.557SS.*Hα-helixtrans-70.6-40.8175.8-76.7-54.4-43.600113D521 D522 M527 L528 E529D521-M525 WeakPolarHBondContact O-CB 3.33Å; D521-M525 WeakPolarHBondContact O-CG 3.41Å; D521-M525 PolarHBondContact O-N 3.09Å; D522-M525 PolarHBondContact O-N 2.9Å; M525-M527 VanDerWaalsContact C-N 3.31Å; M525-M527 PolarHBondContact O-N 3.26Å; M525-L528 HydrophobicContact CE-CB 4.46Å; M525-L528 PolarHBondContact O-N 3.42Å; M525-L528 VanDerWaalsContact O-N 3.16Å; M525-L528 HydrophobicContact SD-CD1 4.36Å; M525-E529 PolarHBondContact O-N 3.44Å
526D61.6Low57.9Low109 Ų109109 Ų10958%0.58354%0.537SS*.Hα-helixtrans-57.9-44.2172.1-87.4-8.9000110.6D522 E529 E530D522-D526 WeakPolarHBondContact O-CB 3.29Å; D522-D526 PolarHBondContact O-N 3.09Å; D526-E529 PolarHBondContact O-N 2.95Å; D526-E530 VanDerWaalsContact O-CB 3.29Å; D526-E530 WeakPolarHBondContact O-CB 3.29Å; D526-E530 PolarHBondContact O-N 3.4Å
527M63.6Low58.5Low110 Ų110107.5 Ų107.554%0.54254%0.537SS..Hα-helixtrans-65.1-36.9175-82.7-176.452.800113.2L523 H524 M525 Q531L523-M527 WeakPolarHBondContact O-CB 3.49Å; L523-M527 WeakPolarHBondContact O-CG 3.41Å; L523-M527 PolarHBondContact O-N 3.07Å; L523-M527 VanDerWaalsContact O-N 3.11Å; H524-M527 PolarHBondContact O-N 3.42Å; M525-M527 VanDerWaalsContact C-N 3.31Å; M525-M527 PolarHBondContact O-N 3.26Å; M527-Q531 WeakPolarHBondContact O-CB 3.43Å; M527-Q531 WeakPolarHBondContact O-CG 3.35Å; M527-Q531 PolarHBondContact O-N 3Å
528L68.3Low59.6Low86 Ų86110 Ų11045%0.4554%0.543SS..Hα-helixtrans-70.6-41.6176.4-95.7155.9000112.1H524 M525 H532H524-L528 WeakPolarHBondContact O-CB 3.49Å; H524-L528 PolarHBondContact O-N 2.89Å; M525-L528 HydrophobicContact CE-CB 4.46Å; M525-L528 PolarHBondContact O-N 3.42Å; M525-L528 VanDerWaalsContact O-N 3.16Å; M525-L528 HydrophobicContact SD-CD1 4.36Å; L528-H532 VanDerWaalsContact O-CB 3.25Å; L528-H532 WeakPolarHBondContact O-CB 3.33Å; L528-H532 PolarHBondContact O-N 2.97Å
529E64.9Low60.3Low113 Ų113108.2 Ų108.253%0.52854%0.537SS..Hα-helixtrans-66-40.2171.9-78.2-150.2158.700111.5M525 D526 H532 H533M525-E529 PolarHBondContact O-N 3.44Å; D526-E529 PolarHBondContact O-N 2.95Å; E529-H532 PolarHBondContact O-N 3.12Å; E529-H533 WeakPolarHBondContact O-CB 3.45Å; E529-H533 PolarHBondContact O-N 3.37Å; E529-H533 PolarHBondContact O-ND1 3.17Å
530E66.4Low60.9Low127 Ų127103.7 Ų103.759%0.59353%0.526SS*.Hα-helixtrans-68-39.7178.9-166.2171.1-126.900111.5D526 H533 Q534D526-E530 VanDerWaalsContact O-CB 3.29Å; D526-E530 WeakPolarHBondContact O-CB 3.29Å; D526-E530 PolarHBondContact O-N 3.4Å; E530-H533 PolarHBondContact O-N 3.24Å; E530-Q534 WeakPolarHBondContact O-CB 3.31Å; E530-Q534 WeakPolarHBondContact O-CG 3.48Å; E530-Q534 PolarHBondContact O-N 2.83Å
531Q58.3Low61.1Low130 Ų130101.7 Ų101.761%0.60752%0.521SS*.Hα-helixtrans-66.6-37.7170.1-75-163.17.100112.7M527 Q534 A535M527-Q531 WeakPolarHBondContact O-CB 3.43Å; M527-Q531 WeakPolarHBondContact O-CG 3.35Å; M527-Q531 PolarHBondContact O-N 3Å; Q531-Q534 PolarHBondContact O-N 3.03Å; Q531-A535 VanDerWaalsContact O-CB 3.31Å; Q531-A535 WeakPolarHBondContact O-CB 3.34Å; Q531-A535 PolarHBondContact O-N 3.27Å
532H58.7Low61.2Low109 Ų10999.4 Ų99.451%0.50551%0.51SS..Hα-helixtrans-66.4-40.4175.8-17358.5000111.9L528 E529 A535 M536L528-H532 VanDerWaalsContact O-CB 3.25Å; L528-H532 WeakPolarHBondContact O-CB 3.33Å; L528-H532 PolarHBondContact O-N 2.97Å; E529-H532 PolarHBondContact O-N 3.12Å; H532-A535 PolarHBondContact O-N 2.92Å; H532-M536 WeakPolarHBondContact O-CB 3.27Å; H532-M536 WeakPolarHBondContact O-CG 3.13Å; H532-M536 PolarHBondContact O-N 2.88Å
533H66.4Low61.2Low91 Ų91100 Ų10042%0.42151%0.513SS..Hα-helixtrans-66.6-39.2173.4-76.996.1000112.1E529 E530 M536 Q537E529-H533 WeakPolarHBondContact O-CB 3.45Å; E529-H533 PolarHBondContact O-N 3.37Å; E529-H533 PolarHBondContact O-ND1 3.17Å; E530-H533 PolarHBondContact O-N 3.24Å; H533-M536 PolarHBondContact O-N 3.39Å; H533-Q537 WeakPolarHBondContact O-CB 3.48Å; H533-Q537 VanDerWaalsContact O-CG 3.23Å; H533-Q537 WeakPolarHBondContact O-CG 3.44Å; H533-Q537 PolarHBondContact O-N 3.49Å
534Q67.6Low61.2Low117 Ų117103.4 Ų103.455%0.54753%0.527SS..Hα-helixtrans-64.8-40.6172.1-74.6-177.424.700111.9E530 Q531 Q537 F538E530-Q534 WeakPolarHBondContact O-CB 3.31Å; E530-Q534 WeakPolarHBondContact O-CG 3.48Å; E530-Q534 PolarHBondContact O-N 2.83Å; Q531-Q534 PolarHBondContact O-N 3.03Å; Q534-Q537 PolarHBondContact O-N 3.33Å; Q534-F538 VanDerWaalsContact O-CB 3.28Å; Q534-F538 WeakPolarHBondContact O-CB 3.43Å; Q534-F538 PolarHBondContact O-N 2.84Å
535A65.1Low60.7Low53 Ų53104.3 Ų104.344%0.43853%0.531SS..Hα-helixtrans-65.4-40.7175.700000112.4Q531 H532 F538 T539Q531-A535 VanDerWaalsContact O-CB 3.31Å; Q531-A535 WeakPolarHBondContact O-CB 3.34Å; Q531-A535 PolarHBondContact O-N 3.27Å; H532-A535 PolarHBondContact O-N 2.92Å; A535-F538 PolarHBondContact O-N 3.39Å; A535-T539 PolarHBondContact O-N 3.32Å; A535-T539 PolarHBondContact O-OG1 3.4Å
536M65.1Low60Low102 Ų102107.7 Ų107.750%0.50254%0.543SS..Hα-helixtrans-66.4-40.8172.9-79.3-124.1-98.400112.4H532 H533 T539 A540H532-M536 WeakPolarHBondContact O-CB 3.27Å; H532-M536 WeakPolarHBondContact O-CG 3.13Å; H532-M536 PolarHBondContact O-N 2.88Å; H533-M536 PolarHBondContact O-N 3.39Å; M536-T539 WeakPolarHBondContact CA-OG1 3.38Å; M536-T539 PolarHBondContact O-OG1 3.31Å; M536-A540 WeakPolarHBondContact O-CB 3.47Å; M536-A540 PolarHBondContact O-N 2.9Å
537Q62.4Low58.8Low132 Ų132111.4 Ų111.462%0.61755%0.554SS**Hα-helixtrans-67.6-36.2174.4-73174.832.800111.9H533 Q534 S541H533-Q537 WeakPolarHBondContact O-CB 3.48Å; H533-Q537 VanDerWaalsContact O-CG 3.23Å; H533-Q537 WeakPolarHBondContact O-CG 3.44Å; H533-Q537 PolarHBondContact O-N 3.49Å; Q534-Q537 PolarHBondContact O-N 3.33Å; Q537-S541 WeakPolarHBondContact O-CB 3.47Å; Q537-S541 PolarHBondContact O-N 2.87Å
538F69.2Low57.6Low149 Ų149114.1 Ų114.165%0.65457%0.565SS**Hα-helixtrans-66.6-47.2174.7-174-99.3000111.5Q534 A535 S541 V542Q534-F538 VanDerWaalsContact O-CB 3.28Å; Q534-F538 WeakPolarHBondContact O-CB 3.43Å; Q534-F538 PolarHBondContact O-N 2.84Å; A535-F538 PolarHBondContact O-N 3.39Å; F538-S541 PolarHBondContact O-N 2.83Å; F538-V542 HydrophobicContact CD1-CG2 4.23Å; F538-V542 HydrophobicContact CE1-CG2 3.91Å; F538-V542 HydrophobicContact CZ-CG2 4.1Å; F538-V542 WeakPolarHBondContact O-CB 3.32Å; F538-V542 WeakPolarHBondContact O-CG2 3.34Å; F538-V542 PolarHBondContact O-N 3.33Å
539T64.1Low56.1Low77 Ų77118.4 Ų118.447%0.47258%0.583SS.*Hα-helixtrans-66-37.4175.340.30000112.6A535 M536 V542 L543A535-T539 PolarHBondContact O-N 3.32Å; A535-T539 PolarHBondContact O-OG1 3.4Å; M536-T539 WeakPolarHBondContact CA-OG1 3.38Å; M536-T539 PolarHBondContact O-OG1 3.31Å; T539-V542 PolarHBondContact O-N 2.83Å; T539-L543 WeakPolarHBondContact O-CB 3.46Å; T539-L543 VanDerWaalsContact O-CG 3.24Å; T539-L543 WeakPolarHBondContact O-CG 3.37Å; T539-L543 PolarHBondContact O-N 3.43Å
540A59.3Low54.9Low50 Ų50122.1 Ų122.141%0.41360%0.6SS.*Hα-helixtrans-63.9-39.6172.200000112.5M536 L543 Q544M536-A540 WeakPolarHBondContact O-CB 3.47Å; M536-A540 PolarHBondContact O-N 2.9Å; A540-L543 PolarHBondContact O-N 2.6Å; A540-Q544 PolarHBondContact O-N 3.32Å
541S56.8Low53.5Low58 Ų58123.6 Ų123.641%0.40661%0.612SS.*Hα-helixtrans-67.1-43.3175.5-1730000111.9Q537 F538 L543 Q544 Q545Q537-S541 WeakPolarHBondContact O-CB 3.47Å; Q537-S541 PolarHBondContact O-N 2.87Å; F538-S541 PolarHBondContact O-N 2.83Å; S541-L543 VanDerWaalsContact C-N 3.33Å; S541-L543 PolarHBondContact O-N 2.76Å; S541-Q544 PolarHBondContact O-N 2.9Å; S541-Q544 VanDerWaalsContact O-N 3.11Å; S541-Q545 PolarHBondContact O-N 2.86Å
542V55Low52.3Low61 Ų61121.5 Ų121.537%0.3763%0.625SS.*Hα-helixtrans-62.5-38.6172.9168.80000111.2F538 T539 Q544 Q545 K546F538-V542 HydrophobicContact CD1-CG2 4.23Å; F538-V542 HydrophobicContact CE1-CG2 3.91Å; F538-V542 HydrophobicContact CZ-CG2 4.1Å; F538-V542 WeakPolarHBondContact O-CB 3.32Å; F538-V542 WeakPolarHBondContact O-CG2 3.34Å; F538-V542 PolarHBondContact O-N 3.33Å; T539-V542 PolarHBondContact O-N 2.83Å; V542-Q544 VanDerWaalsContact C-N 3.33Å; V542-Q545 PolarHBondContact O-N 3.33Å; V542-K546 VanDerWaalsContact O-CB 3.3Å; V542-K546 WeakPolarHBondContact O-CB 3.5Å; V542-K546 PolarHBondContact O-N 3.23Å
543L50Low51.1Low124 Ų124118.9 Ų118.965%0.64963%0.628SS**Hα-helixtrans-69.8-25.9173.7-74.5167.3000113.2T539 A540 S541T539-L543 WeakPolarHBondContact O-CB 3.46Å; T539-L543 VanDerWaalsContact O-CG 3.24Å; T539-L543 WeakPolarHBondContact O-CG 3.37Å; T539-L543 PolarHBondContact O-N 3.43Å; A540-L543 PolarHBondContact O-N 2.6Å; S541-L543 VanDerWaalsContact C-N 3.33Å; S541-L543 PolarHBondContact O-N 2.76Å
544Q50.6Low49.5Very low153 Ų153120.9 Ų120.972%0.71565%0.646SS**Hα-helixtrans-77.5-42.5170.1-77.8-174.3-11.800112.2A540 S541 V542 K547A540-Q544 PolarHBondContact O-N 3.32Å; S541-Q544 PolarHBondContact O-N 2.9Å; S541-Q544 VanDerWaalsContact O-N 3.11Å; V542-Q544 VanDerWaalsContact C-N 3.33Å; Q544-K547 WeakPolarHBondContact O-CB 3.45Å; Q544-K547 PolarHBondContact O-N 3.02Å; Q544-K547 VanDerWaalsContact O-N 3.11Å
545Q47.8Very low48Very low138 Ų138120.6 Ų120.665%0.64565%0.653SS**Hα-helixtrans-63-43.7174.8-75.1-170.9-39.400111.8S541 V542 K547 H548S541-Q545 PolarHBondContact O-N 2.86Å; V542-Q545 PolarHBondContact O-N 3.33Å; Q545-K547 PolarHBondContact O-N 3.05Å; Q545-H548 PolarHBondContact O-N 2.94Å
546K39.3Very low46.4Very low172 Ų172124.6 Ų124.675%0.74867%0.667SS**THydrogen-bonded Turntrans-68.7-1.9175.6-153.1176.4-177.1-176.10113.7V542V542-K546 VanDerWaalsContact O-CB 3.3Å; V542-K546 WeakPolarHBondContact O-CB 3.5Å; V542-K546 PolarHBondContact O-N 3.23Å
547K36Very low44.7Very low187 Ų187125.8 Ų125.881%0.81368%0.68SS**THydrogen-bonded Turntrans-100.112.4169.7-141.8177.5-174.3-179.20113.4Q544 Q545Q544-K547 WeakPolarHBondContact O-CB 3.45Å; Q544-K547 PolarHBondContact O-N 3.02Å; Q544-K547 VanDerWaalsContact O-N 3.11Å; Q545-K547 PolarHBondContact O-N 3.05Å
548H38.4Very low43.2Very low168 Ų168123.5 Ų123.578%0.77868%0.684SS**SBendtrans-128.312.9-178.4-154-59.3000113.6Q545Q545-H548 PolarHBondContact O-N 2.94Å
549E37Very low41.5Very low176 Ų176122.1 Ų122.182%0.82269%0.688SS**SBendtrans-120.84175.8-70.1-166.5131.300114.7
550E39.6Very low39.9Very low190 Ų190125.2 Ų125.289%0.88870%0.7SS**  trans-126.169.4172.6-71.9-170.5162.400112.4
551D36.3Very low38.4Very low159 Ų159130 Ų13085%0.8572%0.718SS**  trans-141.678.5142.6-161.3-9.7000108.8
552G34.7Very low37.1Very low85 Ų85131.6 Ų131.688%0.87673%0.729SS**  trans-99.49.4-16800000115.1
553G33.1Very low35.9Very low54 Ų54134.7 Ų134.756%0.55774%0.743SS**  trans91.9149.8165.400000117.7
554T31.6Very low35.1Very low133 Ų133136.3 Ų136.382%0.81675%0.748SS**  trans-160.6145.1130.46.10000109.9
555T37Very low34.2Very low112 Ų112136 Ų13669%0.68775%0.746SS**  trans9.6128.8151.252.90000117.7
556D30.3Very low33.5Very low137 Ų137134.9 Ų134.973%0.73374%0.741SS**  cis-173.1170.845.5-116.4-32.3000115.2
557T30.7Very low33.4Very low126 Ų126134 Ų13477%0.77374%0.737SS**  trans63.3123.4156.147.40000123.2
558A31.5Very low33.2Very low84 Ų84132 Ų13269%0.69474%0.735SS**  8098.9129.800000122.8
559T32.6Very low33.1Very low120 Ų120129.6 Ų129.674%0.73674%0.737SS**  61.3122.9128.649.10000123.7
560I30Very low32.9Very low142 Ų142124.6 Ų124.673%0.72873%0.733SS**  88.9105.1128.6-67.6170.4000120.1
561L28.2Very low32.8Very low150 Ų150122.8 Ų122.879%0.78574%0.735SS**  trans58.6124.4132.5-62-179.1000123.9
562S30.4Very low32.6Very low93 Ų93118.6 Ų118.665%0.6573%0.729SS**  96.3125.9122.8-74.10000123.4
563N28.5Very low32.6Very low125 Ų125125.2 Ų125.267%0.66873%0.727SS**  trans80.9123.1132.5-79.4-20.1000123.2
564Q33.1Very low32.6Very low159 Ų159128.4 Ų128.474%0.74374%0.736SS**  trans72.2160.3137.8-59.116517.100115.9
565H31.8Very low32.8Very low146 Ų146128.4 Ų128.468%0.67673%0.731SS**  cis-149.3179.16.4-153.235000113.3
566E33.8Very low32.6Very low115 Ų115131.7 Ų131.754%0.53774%0.738SS.*  trans-38.7170.5160.5-65-174.5168.100117.6
567K36.6Very low33Very low153 Ų153130.2 Ų130.267%0.66574%0.739SS**  cis-169.8156.2-5-113.6169.1-163.5150.30110.7
568D32.6Very low33.5Very low146 Ų146130.3 Ų130.378%0.78174%0.739SS**  42.6160.6127.9-148.84.7000123.8
569S35.8Very low33.4Very low116 Ų116138.2 Ų138.281%0.81175%0.751SS**  trans89.5140175.4-38.70000117.3
570G32.9Very low33.1Very low71 Ų71138.7 Ų138.773%0.73275%0.75SS**  cis172.6133.3-10.100000116.4
571V38.5Very low32.9Very low153 Ų153138.1 Ų138.193%0.92775%0.748SS**  trans33.3120.9148.8-169.60000122.5
572G31.7Very low32.8Very low70 Ų70138.9 Ų138.972%0.72275%0.747SS**  trans98166.5150.200000116.6
573R34.2Very low32.8Very low225 Ų225139.3 Ų139.385%0.84975%0.75SS**  cis-168.1140.3-7.7-119.7-171.4-174.4122.9-2.7109.2
574T33.6Very low32.9Very low121 Ų121138 Ų13874%0.74275%0.751SS**  trans50.6-176.1161.557.60000115.9
575D35.2Very low32.7Very low132 Ų132138.5 Ų138.571%0.70675%0.753SS**  cis-144.8144.5-16.815.169.4000108.2
576E33.4Very low32.3Very low181 Ų181140 Ų14085%0.84676%0.761SS**  87.1142.4103.2-166168.1151.600118.4
577S37.5Very low32.3Very low106 Ų106143.7 Ų143.774%0.74178%0.778SS**  trans73.7118.7161.8-80.70000121.8
578T41.6Very low31.7Very low128 Ų128143.4 Ų143.479%0.78578%0.783SS**  trans-69159166.746.20000114
579R30.2Very low31.4Very low250 Ų250144.3 Ų144.394%0.94379%0.789SS**  trans-130.9159.3149.7-102.7-172.8164.8106.90.2110.9
580N25.4Very low31.2Very low131 Ų131142.1 Ų142.170%0.70178%0.784SS**  trans-92.3-166.8-172.7-65-5000112.1
581D26.6Very low31Very low129 Ų129146.2 Ų146.269%0.6979%0.789SS**  trans83.8133.5149.7-48.4-33000115.5
582E26.3Very low30.5Very low167 Ų167146.4 Ų146.478%0.7879%0.785SS**  cis-164.5-166.7-17.8-129.4172.8166.800108.7
583S29.7Very low30.4Very low102 Ų102146.8 Ų146.871%0.71378%0.781SS**  trans-17.8155.1145.2-57.20000117.2
584S29.8Very low30Very low97 Ų97142.5 Ų142.568%0.67878%0.78SS**  cis-171.6170.910.831.10000112.4
585E28.5Very low29.7Very low169 Ų169140.6 Ų140.679%0.7978%0.777SS**  trans11.2128.6136.5-52.5167.6178.900119.9
586Q25.1Very low29.2Very low178 Ų178139.4 Ų139.483%0.83278%0.779SS**  trans169.7124.8133.2-93152.521.200108.1
587E33.3Very low28.7Very low193 Ų193135.7 Ų135.790%0.90277%0.773SS**  53113.262.8-68.1-148.7141.900113.6
588N23.6Very low28Very low146 Ų146138.1 Ų138.178%0.78178%0.777SS**  trans-151.7135175.2-168.77.7000111.4
589N27.3Very low28.1Very low166 Ų166137 Ų13789%0.88877%0.772SS**  trans-162.4123.5168.3-92.8-59.1000109.5
590G29.8Very low28Very low69 Ų69133.3 Ų133.371%0.71177%0.771SS**  trans91.658.2152.100000119.3
591D29.2Very low27.8Very low157 Ų157132.2 Ų132.284%0.8478%0.779SS**  trans26.9141.8140.1-56.1-35.8000124.4
592D29.4Very low27.6Very low158 Ų158129.4 Ų129.485%0.84578%0.781SS**  trans89.2100.4141.2-113.14.7000124.2
593A28.4Very low27.5Very low78 Ų78129.3 Ų129.365%0.64578%0.781SS**  61.7115.8124.900000123.2
594T26.3Very low27.2Very low134 Ų134134.7 Ų134.782%0.82279%0.785SS**  159.3129.5100.3-64.20000114.9
595A26.4Very low26.9Very low82 Ų82138.7 Ų138.768%0.67879%0.791SS**  trans43.899.6153.500000123.4
596S25.2Very low26.5Very low106 Ų106137.2 Ų137.274%0.74179%0.787SS**  33.6128.8125.162.50000124.2
597S23.7Very low26.4Very low104 Ų104134 Ų13473%0.72778%0.78SS**  trans87.7110.3134.270.30000122.9
598N22Very low25.8Very low156 Ų156130.5 Ų130.583%0.83478%0.776SS**  49156.8124.4-75.9-3.8000123.2
599P44.4Very low25.8Very low105 Ų105128 Ų12868%0.68277%0.77SS**  cis-141.2176.3-28.340.2-22.5000115.5
600L27.3Very low25.8Very low173 Ų173127.6 Ų127.691%0.90676%0.762SS**  trans33.2145.3146.9-75.3165.2000124.1
601A21.1Very low25.5Very low107 Ų107130.3 Ų130.388%0.88476%0.761SS**  trans77.7150.9171.200000116.7
602G22.8Very low25.4Very low70 Ų70129.2 Ų129.272%0.72276%0.76SS**  cis164.1126.1-10.200000113.9
603Q23.3Very low25.3Very low166 Ų166130 Ų13078%0.77676%0.763SS**  trans48.1114.7166.7-81.9-154.92.500120.1
604R23.5Very low25.2Very low215 Ų215129.5 Ų129.581%0.81177%0.766SS**  171.2122.2105.3-96.9145-168.7-153.21.5116.7
605K23.6Very low25.1Very low181 Ų181128.4 Ų128.479%0.78776%0.764SS**  70.6146.8120.4-146.2-171.5-176.5-177.30120.2
606L21.8Very low25Very low138 Ų138127.8 Ų127.872%0.72377%0.765SS**  trans78.2144.2165.5-54.4-177.6000116.7
607T21.2Very low25.1Very low110 Ų110128.8 Ų128.868%0.67576%0.762SS**  cis-169.9145.6-3116.10000107.8
608C21.1Very low25.3Very low120 Ų120131.1 Ų131.181%0.81177%0.765SS**  trans60.2151.1160.6-70.60000118.2
609S24.1Very low26.4Very low94 Ų94128 Ų12866%0.65775%0.754SS**  cis-171.3157.7-21.445.80000108.6
610Q26.2Very low25.5Very low157 Ų157132.3 Ų132.373%0.73476%0.762SS**  137.1124.6117.5-163.7155.82.700114.4
611D24.3Very low25.5Very low126 Ų126128.6 Ų128.667%0.67475%0.751SS**  trans37.7126155.8-46.6-21.7000119.1
612T27.2Very low25.7Very low134 Ų134129.1 Ų129.182%0.82274%0.738SS**  cis-146.1138.841.4-54.80000112.8
613L27.7Very low25.8Very low173 Ų173133.6 Ų133.691%0.90674%0.741SS**  trans-120.8164.6171.4-77.2173.6000110.7
614G25.4Very low26.2Very low69 Ų69130.2 Ų130.271%0.71174%0.735SS**  trans164.484.1175.300000109.4
615S24.8Very low26.3Very low111 Ų111129.3 Ų129.378%0.77674%0.737SS**  cis66.3125.441.4-144.60000111.7
616G24.4Very low26.4Very low68 Ų68128 Ų12870%0.70174%0.737SS**  cis-156.1-145.7-200000110
617D27Very low26.7Very low128 Ų128126.8 Ų126.868%0.68474%0.741SS**  cis-163.5135.7-3.2-102.1-48.7000111
618L28.3Very low27Very low152 Ų152126.3 Ų126.380%0.79675%0.748SS**  trans64.2172.8143.7-56.7170000118.1
619P44.8Very low27.2Very low92 Ų92127.9 Ų127.960%0.59775%0.748SS**  -138.5-176.5-87.540.2-20.4000114.7
620F25.9Very low27.5Very low195 Ų195129.3 Ų129.386%0.85576%0.757SS**  -172.4144.4116.1-99.3-65.4000113.2
621S27.1Very low27.6Very low95 Ų95128.8 Ų128.866%0.66477%0.765SS**  trans-22.4156.8167.1-66.30000120.8
622N24.6Very low27.9Very low117 Ų117130.4 Ų130.463%0.62677%0.773SS**  cis-159.1159-0.5-122.140.9000113.3
623E26.2Very low28Very low165 Ų165128.5 Ų128.577%0.77177%0.771SS**  trans8.4157.5140-62.5175.8-110.200122.6
624S32Very low28.5Very low94 Ų94127.4 Ų127.466%0.65777%0.766SS**  cis-179.1137-21.7-168.80000111.4
625F24.8Very low28.7Very low196 Ų196134 Ų13486%0.8677%0.771SS**  trans64.2152.5149.8-107-91.8000124.3
626I26Very low29.2Very low153 Ų153136.4 Ų136.479%0.78577%0.774SS**  trans87132162.9-61.4-178.5000119.8
627S28Very low29.6Very low113 Ų113136.4 Ų136.479%0.7978%0.775SS**  trans-64.4157.4176.1-25.60000116
628A26.9Very low29.9Very low100 Ų100137.6 Ų137.683%0.82678%0.779SS**  trans-178.9168.6134.500000112.4
629D25.5Very low30.9Very low153 Ų153134.3 Ų134.382%0.81877%0.767SS**  trans-61.3149.8-171.3-54.7-54.9000117.8
630C31.2Very low31.2Very low125 Ų125134.5 Ų134.585%0.84577%0.766SS**  trans19.1113.1148-58.80000120.7
631T26.6Very low32.3Very low145 Ų145131 Ų13189%0.8976%0.756SS**  trans-137.6133.3144.2530000110.7
632D32.5Very low33.3Very low160 Ų160132.1 Ų132.186%0.85675%0.751SS**  trans-98124170.8176.929.5000109.6
633A29Very low34.3Very low94 Ų94130.3 Ų130.378%0.77775%0.747SS**  trans-169.9137.9170.100000111.1
634D36.9Very low35.5Very low150 Ų150127.2 Ų127.280%0.80273%0.733SS**  trans-84.9155.5-167.5-85.7-62.4000117.4
635Y31.1Very low36.3Very low208 Ų208129.2 Ų129.282%0.81673%0.726SS**  trans98.3145.8138-124.4-109.3000122.2
636L34.8Very low37.3Very low161 Ų161126.8 Ų126.884%0.84372%0.715SS**  trans68.6133.1-177.9-49.4176.4000115
637G32.5Very low38.7Very low69 Ų69126.4 Ų126.471%0.71170%0.704SS**  cis149.2101.3-3.500000111.1
638I33.9Very low39.8Very low153 Ų153126.7 Ų126.779%0.78569%0.692SS**  trans-80.5136.1-175.9-59.4179.1000110.7
639P48.9Very low41.1Very low83 Ų83127.4 Ų127.454%0.53968%0.682SS.*  trans-66.8152.6-179.7-21.133.9000114.5D641P639-D641 PolarHBondContact O-N 3.19Å
640V51Low41.9Very low95 Ų95124.9 Ų124.958%0.57667%0.668SS**THydrogen-bonded Turntrans-65.8-38.4-179.1176.70000112.2E642 C643 E644V640-E642 VanDerWaalsContact C-N 3.27Å; V640-E642 PolarHBondContact O-N 2.79Å; V640-E642 VanDerWaalsContact O-N 3.14Å; V640-C643 WeakPolarHBondContact O-CA 3.5Å; V640-C643 VanDerWaalsContact O-CB 3.26Å; V640-C643 WeakPolarHBondContact O-CB 3.3Å; V640-C643 PolarHBondContact O-N 3.13Å; V640-E644 HydrophobicContact CG1-CG 4.23Å; V640-E644 PolarHBondContact O-N 3.39Å
641D48.8Very low43Very low121 Ų121125 Ų12565%0.64766%0.656SS**Hα-helixtrans-61-28.9-166.8-48.22000113.9P639 R645P639-D641 PolarHBondContact O-N 3.19Å; D641-R645 PolarHBondContact O-N 2.9Å
642E47.6Very low44Very low120 Ų120123.8 Ų123.856%0.56164%0.643SS**Hα-helixtrans-75.4-27.3175.2-61.8-145.799.100112.8V640 E644 R645 F646V640-E642 VanDerWaalsContact C-N 3.27Å; V640-E642 PolarHBondContact O-N 2.79Å; V640-E642 VanDerWaalsContact O-N 3.14Å; E642-E644 VanDerWaalsContact C-N 3.33Å; E642-R645 IonicContact OE1-NH1 3.07Å; E642-R645 PolarHBondContact OE1-NH1 2.86Å; E642-F646 PolarHBondContact O-N 3.26Å
643C45.3Very low44.3Very low79 Ų79123.9 Ų123.953%0.53464%0.636SS.*Hα-helixtrans-78.9-17177.6-158.70000112.7V640 R647V640-C643 WeakPolarHBondContact O-CA 3.5Å; V640-C643 VanDerWaalsContact O-CB 3.26Å; V640-C643 WeakPolarHBondContact O-CB 3.3Å; V640-C643 PolarHBondContact O-N 3.13Å; C643-R647 PolarHBondContact O-NH2 3.11Å
644E52Low45Very low100 Ų100124 Ų12447%0.46763%0.63SS.*Hα-helixtrans-86.9-44.2173.1-57.7-155.1132.700111.6V640 E642 F646 R647 E648V640-E644 HydrophobicContact CG1-CG 4.23Å; V640-E644 PolarHBondContact O-N 3.39Å; E642-E644 VanDerWaalsContact C-N 3.33Å; E644-F646 PolarHBondContact O-N 2.96Å; E644-R647 WeakPolarHBondContact O-CA 3.5Å; E644-R647 WeakPolarHBondContact O-CB 3.34Å; E644-R647 PolarHBondContact O-N 3.44Å; E644-E648 PolarHBondContact O-N 3.49Å
645R49.5Very low45.2Very low136 Ų136123 Ų12351%0.51362%0.62SS.*Hα-helixtrans-52.6-38.1171.5-89.6174.352.4-120-4113.6D641 E642 R647 L649D641-R645 PolarHBondContact O-N 2.9Å; E642-R645 IonicContact OE1-NH1 3.07Å; E642-R645 PolarHBondContact OE1-NH1 2.86Å; R645-R647 VanDerWaalsContact C-N 3.27Å; R645-R647 PolarHBondContact O-N 3.42Å; R645-L649 WeakPolarHBondContact O-CG 3.39Å; R645-L649 PolarHBondContact O-N 3.02Å
646F45Very low45.7Very low145 Ų145118.9 Ų118.964%0.63662%0.617SS**Hα-helixtrans-69.4-26.9177.2-158.6-92.3000112.6E642 E644 L650E642-F646 PolarHBondContact O-N 3.26Å; E644-F646 PolarHBondContact O-N 2.96Å; F646-L650 HydrophobicContact CD1-CD1 4.1Å; F646-L650 HydrophobicContact CE1-CD1 4.1Å; F646-L650 PolarHBondContact O-N 2.96Å
647R55.3Low46Very low144 Ų144120.6 Ų120.654%0.54362%0.618SS.*Hα-helixtrans-75.3-47.5176.9-134.4175.9-61.2161.58.1111.1C643 E644 R645 L649 L650 E651C643-R647 PolarHBondContact O-NH2 3.11Å; E644-R647 WeakPolarHBondContact O-CA 3.5Å; E644-R647 WeakPolarHBondContact O-CB 3.34Å; E644-R647 PolarHBondContact O-N 3.44Å; R645-R647 VanDerWaalsContact C-N 3.27Å; R645-R647 PolarHBondContact O-N 3.42Å; R647-L649 VanDerWaalsContact C-N 3.29Å; R647-L649 PolarHBondContact O-N 3.42Å; R647-L650 WeakPolarHBondContact O-CB 3.49Å; R647-L650 PolarHBondContact O-N 2.79Å; R647-L650 VanDerWaalsContact O-N 3.07Å; R647-E651 PolarHBondContact O-N 3.43Å
648E51.1Low46.2Very low119 Ų119122.2 Ų122.256%0.55662%0.618SS**Hα-helixtrans-57.2-40.9175.4-64-178.6135.400112.2E644 L650 E651 L652E644-E648 PolarHBondContact O-N 3.49Å; E648-L650 VanDerWaalsContact C-N 3.28Å; E648-L650 PolarHBondContact O-N 3.06Å; E648-E651 PolarHBondContact O-N 3.43Å; E648-L652 WeakPolarHBondContact O-CD1 3.36Å; E648-L652 PolarHBondContact O-N 3.49Å
649L54.9Low46.3Very low116 Ų116118.8 Ų118.861%0.60761%0.613SS**Hα-helixtrans-65.7-26.1177.4-81168000114R645 R647R645-L649 WeakPolarHBondContact O-CG 3.39Å; R645-L649 PolarHBondContact O-N 3.02Å; R647-L649 VanDerWaalsContact C-N 3.29Å; R647-L649 PolarHBondContact O-N 3.42Å
650L42.6Very low45.2Very low99 Ų99121.4 Ų121.452%0.51863%0.627SS.*Hα-helixtrans-79.8-39.8172-76.5163.9000111.2F646 R647 E648 K653 C654F646-L650 HydrophobicContact CD1-CD1 4.1Å; F646-L650 HydrophobicContact CE1-CD1 4.1Å; F646-L650 PolarHBondContact O-N 2.96Å; R647-L650 WeakPolarHBondContact O-CB 3.49Å; R647-L650 PolarHBondContact O-N 2.79Å; R647-L650 VanDerWaalsContact O-N 3.07Å; E648-L650 VanDerWaalsContact C-N 3.28Å; E648-L650 PolarHBondContact O-N 3.06Å; L650-K653 WeakPolarHBondContact O-CB 3.16Å; L650-K653 PolarHBondContact O-N 2.93Å; L650-K653 VanDerWaalsContact O-N 3.16Å; L650-C654 PolarHBondContact O-N 3.13Å
651E53.8Low44.8Very low127 Ų127121.6 Ų121.659%0.59363%0.63SS**Hα-helixtrans-68.1-43.5-176.5-162.9159.8-139.200112.6R647 E648 K653 C654 Q655R647-E651 PolarHBondContact O-N 3.43Å; E648-E651 PolarHBondContact O-N 3.43Å; E651-K653 PolarHBondContact O-N 3.21Å; E651-C654 PolarHBondContact O-N 3.19Å; E651-Q655 PolarHBondContact O-N 3.08Å
652L46.8Very low43.9Very low120 Ų120127.1 Ų127.163%0.62864%0.644SS**Hα-helixtrans-55.7-36.5170.4-10084.6000112.3E648 C654 Q655 V656E648-L652 WeakPolarHBondContact O-CD1 3.36Å; E648-L652 PolarHBondContact O-N 3.49Å; L652-C654 VanDerWaalsContact C-N 3.29Å; L652-C654 PolarHBondContact O-N 3.05Å; L652-Q655 PolarHBondContact O-N 3.02Å; L652-V656 PolarHBondContact O-N 3.09Å
653K39.8Very low43Very low163 Ų163124.5 Ų124.571%0.70965%0.649SS**Hα-helixtrans-74-21.2-174.7-157.3170.4-174.3175.70113L650 E651L650-K653 WeakPolarHBondContact O-CB 3.16Å; L650-K653 PolarHBondContact O-N 2.93Å; L650-K653 VanDerWaalsContact O-N 3.16Å; E651-K653 PolarHBondContact O-N 3.21Å
654C43.8Very low42.4Very low96 Ų96128.3 Ų128.365%0.64966%0.663SS**Hα-helixtrans-80.8-39.8172-68.80000112L650 E651 L652 V656 K657L650-C654 PolarHBondContact O-N 3.13Å; E651-C654 PolarHBondContact O-N 3.19Å; L652-C654 VanDerWaalsContact C-N 3.29Å; L652-C654 PolarHBondContact O-N 3.05Å; C654-V656 VanDerWaalsContact C-N 3.31Å; C654-V656 PolarHBondContact O-N 2.88Å; C654-K657 PolarHBondContact O-N 3.17Å
655Q41Very low41.3Very low128 Ų128133.7 Ų133.760%0.59868%0.681SS**Hα-helixtrans-68.8-24.5-175.8-65.9178.61000113.9E651 L652 K657 S658E651-Q655 PolarHBondContact O-N 3.08Å; L652-Q655 PolarHBondContact O-N 3.02Å; Q655-K657 VanDerWaalsContact C-N 3.29Å; Q655-K657 PolarHBondContact O-N 2.89Å; Q655-S658 PolarHBondContact O-OG 2.94Å; Q655-S658 VanDerWaalsContact O-OG 3.13Å
656V41.8Very low40.3Very low123 Ų123136.4 Ų136.475%0.74569%0.693SS**THydrogen-bonded Turntrans-71.8-18.6177.5174.20000113.2L652 C654L652-V656 PolarHBondContact O-N 3.09Å; C654-V656 VanDerWaalsContact C-N 3.31Å; C654-V656 PolarHBondContact O-N 2.88Å
657K40Very low40.2Very low196 Ų196134.9 Ų134.985%0.85270%0.697SS**THydrogen-bonded Turntrans-86-9.6-178.1-82.7-171.5172.7-176.30115.3C654 Q655C654-K657 PolarHBondContact O-N 3.17Å; Q655-K657 VanDerWaalsContact C-N 3.29Å; Q655-K657 PolarHBondContact O-N 2.89Å
658S37Very low39.2Very low104 Ų104132.7 Ų132.773%0.72770%0.704SS**SBendtrans-101.43.1-169.951.90000115.5Q655Q655-S658 PolarHBondContact O-OG 2.94Å; Q655-S658 VanDerWaalsContact O-OG 3.13Å
659A37Very low38.2Very low81 Ų81130.4 Ų130.467%0.66971%0.712SS**  trans-147.677.4-170.200000116.9
660T25.9Very low37.7Very low137 Ų137130.5 Ų130.584%0.8472%0.72SS**  trans-148.7127.6149.9-53.10000110.9
661P42.8Very low37.6Very low99 Ų99133.4 Ų133.464%0.64374%0.735SS**  trans-97.6-172.9177.638.5-35.3000114.1
662Y29.3Very low36.6Very low237 Ų237134.6 Ų134.693%0.92975%0.745SS**  trans77.1135.7-174.3-58.2-88.4000115.6
663G28.9Very low36.5Very low65 Ų65133.4 Ų133.467%0.6775%0.753SS**  cis161.7131-14.800000115.9
664L32.1Very low36.2Very low159 Ų159129.2 Ų129.283%0.83276%0.756SS**  trans73.3152.6165.9-50.6169.1000116.4
665Y28.6Very low36Very low214 Ų214134.6 Ų134.684%0.83977%0.769SS**  cis-134.5164.116.1-128.7-83.6000114.1
666Y28.2Very low35.9Very low193 Ų193134.1 Ų134.176%0.75778%0.78SS**  trans-94.9-174.8-177.2-104-126.5000113.4S668Y666-S668 WeakPolarHBondContact CD1-OG 3.25Å; Y666-S668 VanDerWaalsContact CE1-OG 3.23Å; Y666-S668 WeakPolarHBondContact CE1-OG 3.39Å
667P43.6Very low35.7Very low112 Ų112134.4 Ų134.473%0.72778%0.777SS**  cis-127.1155.74.520.25.7000115.9
668S33.6Very low36.1Very low98 Ų98129.5 Ų129.569%0.68577%0.765SS**  64.8140.477.4-410000116.4Y666Y666-S668 WeakPolarHBondContact CD1-OG 3.25Å; Y666-S668 VanDerWaalsContact CE1-OG 3.23Å; Y666-S668 WeakPolarHBondContact CE1-OG 3.39Å
669G30.9Very low36.5Very low71 Ų71132.1 Ų132.173%0.73277%0.766SS**  cis174.9-1582.600000109.3
670P44.7Very low37.2Very low119 Ų119131.5 Ų131.577%0.77376%0.757SS**  cis-140.9151.6-6.440.3-21.9000117.7
671L40.7Very low38.7Very low159 Ų159129.6 Ų129.683%0.83274%0.744SS**  trans62.3154.7146.1-61.3172.2000120.3
672D32.5Very low39.5Very low152 Ų152130.4 Ų130.481%0.81374%0.743SS**  cis-134.617217-148.8-13.1000113.8
673A44.4Very low41.1Very low95 Ų95125.6 Ų125.679%0.78573%0.728SS**  trans-138.7162.9-16100000117.4
674G34.5Very low43.2Very low76 Ų76128 Ų12878%0.78472%0.721SS**  trans-15881-17800000116.7
675K39Very low44.9Very low208 Ų208125.8 Ų125.890%0.90471%0.71SS**  trans14.7141.3156.3-57.2178.7-178.9179.90122.1
676S37.9Very low46.7Very low119 Ų119122.1 Ų122.183%0.83270%0.7SS**  trans-115.5136.1160.955.80000111.2
677D37.3Very low48.6Very low128 Ų128118.3 Ų118.368%0.68469%0.692SS**  trans-93.3153.2-176.6-84-53.9000114.3E679D677-E679 VanDerWaalsContact C-N 3.35Å; D677-E679 PolarHBondContact O-N 3.29Å
678P48.1Very low49.9Very low94 Ų94117.7 Ų117.761%0.6168%0.682SS**THydrogen-bonded Turntrans-74.1-18.7-177.230.3-35.8000114.5S680 V681P678-S680 PolarHBondContact O-N 2.95Å; P678-V681 PolarHBondContact O-N 3.42Å
679E46.4Very low51.8Low159 Ų159117.3 Ų117.374%0.74367%0.673SS**Hα-helixtrans-61.2-13.7-176.2-61.5-171.4160.100114.3D677 K683D677-E679 VanDerWaalsContact C-N 3.35Å; D677-E679 PolarHBondContact O-N 3.29Å; E679-K683 WeakPolarHBondContact O-CB 3.49Å
680S52.1Low54Low68 Ų68119.4 Ų119.448%0.47666%0.663SS.*Hα-helixtrans-67-40.8175.9-158.10000112.5P678 K683 E684P678-S680 PolarHBondContact O-N 2.95Å; S680-K683 PolarHBondContact O-N 3.44Å; S680-E684 PolarHBondContact O-N 3.18Å; S680-E684 PolarHBondContact OG-OE1 2.95Å
681V57.9Low55.5Low96 Ų96119.8 Ų119.858%0.58266%0.655SS**Hα-helixtrans-76.5-42.3-169-177.10000111.4P678 K683 E684 L685P678-V681 PolarHBondContact O-N 3.42Å; V681-K683 PolarHBondContact O-N 3.02Å; V681-E684 PolarHBondContact O-N 2.97Å; V681-L685 WeakPolarHBondContact O-CB 3.43Å; V681-L685 PolarHBondContact O-N 3.05Å
682D58.6Low57.1Low116 Ų116117.2 Ų117.262%0.6264%0.641SS**Hα-helixtrans-61.1-30.6174.5-70-30.5000111.5L685 E686D682-L685 PolarHBondContact O-N 3.42Å; D682-E686 WeakPolarHBondContact O-CB 3.25Å; D682-E686 PolarHBondContact O-N 3.1Å
683K63.5Low58.8Low137 Ų137116.5 Ų116.560%0.59663%0.627SS**Hα-helixtrans-78.7-36.9179.9-160163-161.9153.40113.3E679 S680 V681 L685 L687E679-K683 WeakPolarHBondContact O-CB 3.49Å; S680-K683 PolarHBondContact O-N 3.44Å; V681-K683 PolarHBondContact O-N 3.02Å; K683-L685 VanDerWaalsContact C-N 3.3Å; K683-L687 VanDerWaalsContact O-CG 3.3Å; K683-L687 WeakPolarHBondContact O-CG 3.45Å; K683-L687 PolarHBondContact O-N 3.3Å; K683-L687 VanDerWaalsContact O-N 3.1Å
684E72.9Confident60.1Low114 Ų114115.4 Ų115.453%0.53361%0.614SS.*Hα-helixtrans-63.4-39.1167.7-74167.1-153.200111S680 V681 L687 L688S680-E684 PolarHBondContact O-N 3.18Å; S680-E684 PolarHBondContact OG-OE1 2.95Å; V681-E684 PolarHBondContact O-N 2.97Å; E684-L687 PolarHBondContact O-N 2.88Å; E684-L688 PolarHBondContact O-N 3.36Å
685L66.4Low62Low114 Ų114116.4 Ų116.460%0.59760%0.6SS**Hα-helixtrans-67.9-39.6176.7-160.473.1000112.5V681 D682 K683 L688 N689V681-L685 WeakPolarHBondContact O-CB 3.43Å; V681-L685 PolarHBondContact O-N 3.05Å; D682-L685 PolarHBondContact O-N 3.42Å; K683-L685 VanDerWaalsContact C-N 3.3Å; L685-L688 PolarHBondContact O-N 3.38Å; L685-N689 WeakPolarHBondContact O-CB 3.42Å; L685-N689 PolarHBondContact O-N 3.11Å
686E67.9Low63.8Low137 Ų137112.3 Ų112.364%0.6458%0.584SS**Hα-helixtrans-62.7-43.5174.4-174.2172.9-131.300111.7D682 N689 E690D682-E686 WeakPolarHBondContact O-CB 3.25Å; D682-E686 PolarHBondContact O-N 3.1Å; E686-N689 PolarHBondContact O-N 3.15Å; E686-E690 PolarHBondContact O-N 3.29Å; E686-E690 VanDerWaalsContact O-N 3.1Å
687L68.6Low65.7Low113 Ų113111.7 Ų111.759%0.59257%0.571SS**Hα-helixtrans-62.2-46175.6-72.4167.7000112.2K683 E684 N689 E690 E691K683-L687 VanDerWaalsContact O-CG 3.3Å; K683-L687 WeakPolarHBondContact O-CG 3.45Å; K683-L687 PolarHBondContact O-N 3.3Å; K683-L687 VanDerWaalsContact O-N 3.1Å; E684-L687 PolarHBondContact O-N 2.88Å; L687-N689 VanDerWaalsContact C-N 3.28Å; L687-N689 PolarHBondContact O-N 3.27Å; L687-E690 PolarHBondContact O-N 3.19Å; L687-E691 PolarHBondContact O-N 3.38Å
688L69.9Low67.2Low98 Ų98111.7 Ų111.751%0.51357%0.567SS.*Hα-helixtrans-59.9-36.3175.7-102.2159.4000112.8E684 L685 L692E684-L688 PolarHBondContact O-N 3.36Å; L685-L688 PolarHBondContact O-N 3.38Å; L688-L692 WeakPolarHBondContact O-CB 3.48Å; L688-L692 WeakPolarHBondContact O-CG 3.5Å; L688-L692 PolarHBondContact O-N 2.61Å
689N72.4Confident68.2Low91 Ų91110.5 Ų110.549%0.48756%0.56SS.*Hα-helixtrans-71.2-34.2178.6-140.4-9.1000111.9L685 E686 L687 R693L685-N689 WeakPolarHBondContact O-CB 3.42Å; L685-N689 PolarHBondContact O-N 3.11Å; E686-N689 PolarHBondContact O-N 3.15Å; L687-N689 VanDerWaalsContact C-N 3.28Å; L687-N689 PolarHBondContact O-N 3.27Å; N689-R693 WeakPolarHBondContact O-CG 3.48Å; N689-R693 PolarHBondContact O-N 2.98Å; N689-R693 VanDerWaalsContact O-N 3.17Å
690E77.9Confident69.4Low115 Ų115106.6 Ų106.654%0.53754%0.544SS..Hα-helixtrans-75.6-35174.9-164.366.9-178.700112.1E686 L687 R693 S694E686-E690 PolarHBondContact O-N 3.29Å; E686-E690 VanDerWaalsContact O-N 3.1Å; L687-E690 PolarHBondContact O-N 3.19Å; E690-R693 PolarHBondContact O-N 3.23Å; E690-R693 WeakPolarHBondContact OE2-CD 3.43Å; E690-R693 IonicContact OE2-NH1 3.21Å; E690-R693 PolarHBondContact OE2-NH1 3.43Å; E690-S694 PolarHBondContact O-N 2.92Å
691E75.9Confident70.5Confident127 Ų127106.4 Ų106.459%0.59354%0.543SS*.Hα-helixtrans-63.1-44.1169.6-73.5-164.9151.500111.9L687 R693 S694 I695L687-E691 PolarHBondContact O-N 3.38Å; E691-R693 VanDerWaalsContact C-N 3.32Å; E691-R693 PolarHBondContact O-N 3.46Å; E691-S694 WeakPolarHBondContact O-CB 3.42Å; E691-S694 PolarHBondContact O-N 3.41Å; E691-S694 VanDerWaalsContact O-N 3.09Å; E691-I695 WeakPolarHBondContact O-CG1 3.49Å; E691-I695 PolarHBondContact O-N 3.33Å
692L74.8Confident71.5Confident104 Ų104107.1 Ų107.155%0.54554%0.542SS..Hα-helixtrans-58.2-42.4174.9-80.1166.2000112.3L688 I695 E696L688-L692 WeakPolarHBondContact O-CB 3.48Å; L688-L692 WeakPolarHBondContact O-CG 3.5Å; L688-L692 PolarHBondContact O-N 2.61Å; L692-I695 PolarHBondContact O-N 3.45Å; L692-E696 PolarHBondContact O-N 2.77Å
693R67.6Low72.6Confident138 Ų138106 Ų10652%0.52154%0.539SS..Hα-helixtrans-65.2-38.3173-74.4171174.2166.90.6113N689 E690 E691 I695 E696 L697N689-R693 WeakPolarHBondContact O-CG 3.48Å; N689-R693 PolarHBondContact O-N 2.98Å; N689-R693 VanDerWaalsContact O-N 3.17Å; E690-R693 PolarHBondContact O-N 3.23Å; E690-R693 WeakPolarHBondContact OE2-CD 3.43Å; E690-R693 IonicContact OE2-NH1 3.21Å; E690-R693 PolarHBondContact OE2-NH1 3.43Å; E691-R693 VanDerWaalsContact C-N 3.32Å; E691-R693 PolarHBondContact O-N 3.46Å; R693-I695 VanDerWaalsContact C-N 3.33Å; R693-E696 PolarHBondContact O-N 2.9Å; R693-L697 WeakPolarHBondContact O-CB 3.44Å; R693-L697 VanDerWaalsContact O-CG 3.29Å; R693-L697 WeakPolarHBondContact O-CG 3.33Å; R693-L697 PolarHBondContact O-N 2.89Å
694S72.4Confident73Confident72 Ų72106 Ų10650%0.50354%0.535SS..Hα-helixtrans-62.5-43.4175.5-170.40000111E690 E691 L697 E698E690-S694 PolarHBondContact O-N 2.92Å; E691-S694 WeakPolarHBondContact O-CB 3.42Å; E691-S694 PolarHBondContact O-N 3.41Å; E691-S694 VanDerWaalsContact O-N 3.09Å; S694-L697 PolarHBondContact O-N 2.9Å; S694-E698 WeakPolarHBondContact O-CB 3.37Å; S694-E698 PolarHBondContact O-N 3.32Å
695I75.1Confident73Confident97 Ų97103.3 Ų103.350%0.49753%0.533SS..Hα-helixtrans-64.5-43.9176.1-66.5162.4000110.7E691 L692 R693 L697 E698 C699E691-I695 WeakPolarHBondContact O-CG1 3.49Å; E691-I695 PolarHBondContact O-N 3.33Å; L692-I695 PolarHBondContact O-N 3.45Å; R693-I695 VanDerWaalsContact C-N 3.33Å; I695-L697 PolarHBondContact O-N 3.31Å; I695-E698 PolarHBondContact O-N 3.45Å; I695-C699 WeakPolarHBondContact O-CB 3.48Å; I695-C699 PolarHBondContact O-N 3.2Å; I695-C699 PolarHBondContact O-SG 3.29Å; I695-C699 VanDerWaalsContact O-SG 3.38Å
696E75.6Confident73.3Confident121 Ų121103.6 Ų103.657%0.56553%0.531SS*.Hα-helixtrans-59.6-46.6175.7-171.2-174.2-179.200111.7L692 R693 E698 C699 L700L692-E696 PolarHBondContact O-N 2.77Å; R693-E696 PolarHBondContact O-N 2.9Å; E696-E698 VanDerWaalsContact C-N 3.34Å; E696-E698 PolarHBondContact O-N 2.84Å; E696-C699 PolarHBondContact O-N 3Å; E696-L700 HydrophobicContact CG-CD1 4.15Å; E696-L700 WeakPolarHBondContact O-CB 3.34Å; E696-L700 VanDerWaalsContact O-CG 3.27Å; E696-L700 WeakPolarHBondContact O-CG 3.41Å; E696-L700 PolarHBondContact O-N 3.01Å
697L77.3Confident73.4Confident107 Ų107103.7 Ų103.756%0.5653%0.529SS*.Hα-helixtrans-64.3-36.1177.9-74170.1000112.8R693 S694 I695 S701 R704R693-L697 WeakPolarHBondContact O-CB 3.44Å; R693-L697 VanDerWaalsContact O-CG 3.29Å; R693-L697 WeakPolarHBondContact O-CG 3.33Å; R693-L697 PolarHBondContact O-N 2.89Å; S694-L697 PolarHBondContact O-N 2.9Å; I695-L697 PolarHBondContact O-N 3.31Å; L697-S701 WeakPolarHBondContact O-CB 3.47Å; L697-S701 PolarHBondContact O-N 3.24Å; L697-R704 PolarHBondContact O-NH2 2.85Å
698E70.2Confident73.3Confident128 Ų128104.2 Ų104.260%0.59853%0.53SS*.Hα-helixtrans-72.2-43.6176.6-169153.4-126.900111.6S694 I695 E696 L700 S701 I702S694-E698 WeakPolarHBondContact O-CB 3.37Å; S694-E698 PolarHBondContact O-N 3.32Å; I695-E698 PolarHBondContact O-N 3.45Å; E696-E698 VanDerWaalsContact C-N 3.34Å; E696-E698 PolarHBondContact O-N 2.84Å; E698-L700 PolarHBondContact O-N 3.37Å; E698-S701 CarbonylContact O-C 3.56Å; E698-S701 WeakPolarHBondContact O-CA 3.4Å; E698-S701 WeakPolarHBondContact O-CB 3.42Å; E698-S701 PolarHBondContact O-N 3.01Å; E698-I702 HydrophobicContact CG-CD1 4.36Å; E698-I702 WeakPolarHBondContact O-CG1 3.42Å; E698-I702 PolarHBondContact O-N 3.43Å
699C67.9Low73.2Confident69 Ų69104.8 Ų104.847%0.46653%0.53SS..Hα-helixtrans-57.2-46.6169.9-76.10000112I695 E696 S701 I702 V703I695-C699 WeakPolarHBondContact O-CB 3.48Å; I695-C699 PolarHBondContact O-N 3.2Å; I695-C699 PolarHBondContact O-SG 3.29Å; I695-C699 VanDerWaalsContact O-SG 3.38Å; E696-C699 PolarHBondContact O-N 3Å; C699-S701 VanDerWaalsContact C-N 3.26Å; C699-S701 PolarHBondContact O-N 2.99Å; C699-I702 PolarHBondContact O-N 2.85Å; C699-V703 WeakPolarHBondContact O-CG2 3.36Å; C699-V703 PolarHBondContact O-N 3.46Å
700L72.6Confident72.8Confident76 Ų76105.8 Ų105.840%0.39853%0.532SS..Hα-helixtrans-63.4-31.4173.5-71.9170.2000112E696 E698 R704E696-L700 HydrophobicContact CG-CD1 4.15Å; E696-L700 WeakPolarHBondContact O-CB 3.34Å; E696-L700 VanDerWaalsContact O-CG 3.27Å; E696-L700 WeakPolarHBondContact O-CG 3.41Å; E696-L700 PolarHBondContact O-N 3.01Å; E698-L700 PolarHBondContact O-N 3.37Å; L700-R704 VanDerWaalsContact C-NH2 3.31Å; L700-R704 WeakPolarHBondContact O-CB 3.36Å; L700-R704 VanDerWaalsContact O-CG 3.25Å; L700-R704 WeakPolarHBondContact O-CG 3.33Å; L700-R704 PolarHBondContact O-N 3.27Å; L700-R704 PolarHBondContact O-NE 2.82Å; L700-R704 PolarHBondContact O-NH2 3.45Å
701S75.6Confident72.3Confident65 Ų65103.3 Ų103.346%0.45552%0.522SS..Hα-helixtrans-65.9-47.2172.6-158.20000111.4L697 E698 C699 R704 A705L697-S701 WeakPolarHBondContact O-CB 3.47Å; L697-S701 PolarHBondContact O-N 3.24Å; E698-S701 CarbonylContact O-C 3.56Å; E698-S701 WeakPolarHBondContact O-CA 3.4Å; E698-S701 WeakPolarHBondContact O-CB 3.42Å; E698-S701 PolarHBondContact O-N 3.01Å; C699-S701 VanDerWaalsContact C-N 3.26Å; C699-S701 PolarHBondContact O-N 2.99Å; S701-R704 PolarHBondContact O-N 3.13Å; S701-A705 WeakPolarHBondContact O-CB 3.47Å; S701-A705 PolarHBondContact O-N 3.39Å
702I77.8Confident71.7Confident110 Ų110104.9 Ų104.956%0.56453%0.527SS*.Hα-helixtrans-62-45.7177.4-66.7162.7000110.7E698 C699 R704 A705 H706E698-I702 HydrophobicContact CG-CD1 4.36Å; E698-I702 WeakPolarHBondContact O-CG1 3.42Å; E698-I702 PolarHBondContact O-N 3.43Å; C699-I702 PolarHBondContact O-N 2.85Å; I702-R704 PolarHBondContact O-N 3.17Å; I702-A705 PolarHBondContact O-N 3.38Å; I702-H706 WeakPolarHBondContact O-CB 3.48Å; I702-H706 PolarHBondContact O-N 3.01Å
703V81.7Confident70.7Confident93 Ų93104.3 Ų104.356%0.56452%0.522SS*.Hα-helixtrans-62.8-40.5176.3171.90000111.6C699 K707C699-V703 WeakPolarHBondContact O-CG2 3.36Å; C699-V703 PolarHBondContact O-N 3.46Å; V703-K707 VanDerWaalsContact O-CB 3.27Å; V703-K707 WeakPolarHBondContact O-CB 3.12Å; V703-K707 PolarHBondContact O-N 3.44Å
704R72.4Confident69.5Low136 Ų136103.7 Ų103.751%0.51353%0.525SS..Hα-helixtrans-65.5-40.7173.7-76.3174.9-66.2-136.6-0.8112.2L697 L700 S701 I702 K707 M708L697-R704 PolarHBondContact O-NH2 2.85Å; L700-R704 VanDerWaalsContact C-NH2 3.31Å; L700-R704 WeakPolarHBondContact O-CB 3.36Å; L700-R704 VanDerWaalsContact O-CG 3.25Å; L700-R704 WeakPolarHBondContact O-CG 3.33Å; L700-R704 PolarHBondContact O-N 3.27Å; L700-R704 PolarHBondContact O-NE 2.82Å; L700-R704 PolarHBondContact O-NH2 3.45Å; S701-R704 PolarHBondContact O-N 3.13Å; I702-R704 PolarHBondContact O-N 3.17Å; R704-K707 PolarHBondContact O-N 3.43Å; R704-M708 WeakPolarHBondContact O-CB 3.38Å; R704-M708 VanDerWaalsContact O-CG 3.28Å; R704-M708 WeakPolarHBondContact O-CG 3.32Å; R704-M708 PolarHBondContact O-N 3.35Å
705A71.9Confident68.1Low59 Ų59107.8 Ų107.849%0.48853%0.53SS..Hα-helixtrans-64.8-45.9176.800000111.6S701 I702 M708 Q709S701-A705 WeakPolarHBondContact O-CB 3.47Å; S701-A705 PolarHBondContact O-N 3.39Å; I702-A705 PolarHBondContact O-N 3.38Å; A705-M708 PolarHBondContact O-N 3.1Å; A705-Q709 PolarHBondContact O-N 3Å
706H73.2Confident66.4Low120 Ų120112.4 Ų112.456%0.55654%0.541SS*.Hα-helixtrans-61.2-45.5175-166.3-81.7000111.2I702 M708 Q709 Q710I702-H706 WeakPolarHBondContact O-CB 3.48Å; I702-H706 PolarHBondContact O-N 3.01Å; H706-M708 VanDerWaalsContact C-N 3.32Å; H706-M708 PolarHBondContact O-N 3.48Å; H706-Q709 PolarHBondContact O-N 3.04Å; H706-Q710 VanDerWaalsContact O-CB 3.27Å; H706-Q710 WeakPolarHBondContact O-CB 3.43Å; H706-Q710 PolarHBondContact O-N 3.36Å
707K70.8Confident64.5Low138 Ų138113.2 Ų113.260%0.655%0.545SS*.Hα-helixtrans-63.2-35.5176.5-171.3164.4-178.5165.50112.7V703 R704 L711V703-K707 VanDerWaalsContact O-CB 3.27Å; V703-K707 WeakPolarHBondContact O-CB 3.12Å; V703-K707 PolarHBondContact O-N 3.44Å; R704-K707 PolarHBondContact O-N 3.43Å; K707-L711 WeakPolarHBondContact O-CB 3.38Å; K707-L711 WeakPolarHBondContact O-CG 3.44Å; K707-L711 PolarHBondContact O-N 3.29Å
708M65.6Low62.2Low125 Ų125112.3 Ų112.362%0.61655%0.548SS*.Hα-helixtrans-71-36.7173.1-76-70.2133.200112.8R704 A705 H706 L711 K712R704-M708 WeakPolarHBondContact O-CB 3.38Å; R704-M708 VanDerWaalsContact O-CG 3.28Å; R704-M708 WeakPolarHBondContact O-CG 3.32Å; R704-M708 PolarHBondContact O-N 3.35Å; A705-M708 PolarHBondContact O-N 3.1Å; H706-M708 VanDerWaalsContact C-N 3.32Å; H706-M708 PolarHBondContact O-N 3.48Å; M708-L711 HydrophobicContact CE-CD1 3.9Å; M708-K712 VanDerWaalsContact O-CB 3.28Å; M708-K712 WeakPolarHBondContact O-CB 3.41Å; M708-K712 PolarHBondContact O-N 2.96Å
709Q67.6Low60.5Low110 Ų110117.1 Ų117.151%0.51456%0.561SS.*Hα-helixtrans-68.6-44.3173.7178.6167.6-19.400111.4A705 H706 L711 K712 E713A705-Q709 PolarHBondContact O-N 3Å; H706-Q709 PolarHBondContact O-N 3.04Å; Q709-L711 PolarHBondContact O-N 3.3Å; Q709-K712 CarbonylContact O-C 3.5Å; Q709-K712 WeakPolarHBondContact O-CA 3.48Å; Q709-K712 WeakPolarHBondContact O-CB 3.2Å; Q709-K712 PolarHBondContact O-N 3.29Å; Q709-E713 VanDerWaalsContact CG-OE1 3.28Å; Q709-E713 WeakPolarHBondContact CG-OE1 3.48Å; Q709-E713 PolarHBondContact NE2-OE1 3.38Å; Q709-E713 WeakPolarHBondContact O-CG 3.36Å; Q709-E713 PolarHBondContact O-N 3.15Å
710Q65.8Low59.2Low111 Ų111121.2 Ų121.252%0.51958%0.575SS.*Hα-helixtrans-63.1-39.9177.2-164.2172.42200111.5H706 E713 Q714H706-Q710 VanDerWaalsContact O-CB 3.27Å; H706-Q710 WeakPolarHBondContact O-CB 3.43Å; H706-Q710 PolarHBondContact O-N 3.36Å; Q710-E713 PolarHBondContact O-N 2.89Å; Q710-Q714 VanDerWaalsContact O-CB 3.28Å; Q710-Q714 WeakPolarHBondContact O-CB 3.28Å; Q710-Q714 PolarHBondContact O-N 2.97Å
711L66.4Low57.3Low63 Ų63124.3 Ų124.333%0.3359%0.591SS.*Hα-helixtrans-61.6-42.1168.5-82.3165.3000112.3K707 M708 Q709 E713 Q714 Y715K707-L711 WeakPolarHBondContact O-CB 3.38Å; K707-L711 WeakPolarHBondContact O-CG 3.44Å; K707-L711 PolarHBondContact O-N 3.29Å; M708-L711 HydrophobicContact CE-CD1 3.9Å; Q709-L711 PolarHBondContact O-N 3.3Å; L711-E713 VanDerWaalsContact C-N 3.3Å; L711-E713 PolarHBondContact O-N 2.98Å; L711-Q714 PolarHBondContact O-N 3.26Å; L711-Y715 WeakPolarHBondContact O-CB 3.47Å; L711-Y715 VanDerWaalsContact O-CD2 3.25Å; L711-Y715 WeakPolarHBondContact O-CD2 3.31Å; L711-Y715 PolarHBondContact O-N 3.45Å
712K64.3Low55Low161 Ų161129.8 Ų129.870%0.761%0.609SS**Hα-helixtrans-66.9-31.3178.3-173.8179.2-178.8-1790112.5M708 Q709 R716M708-K712 VanDerWaalsContact O-CB 3.28Å; M708-K712 WeakPolarHBondContact O-CB 3.41Å; M708-K712 PolarHBondContact O-N 2.96Å; Q709-K712 CarbonylContact O-C 3.5Å; Q709-K712 WeakPolarHBondContact O-CA 3.48Å; Q709-K712 WeakPolarHBondContact O-CB 3.2Å; Q709-K712 PolarHBondContact O-N 3.29Å; K712-R716 WeakPolarHBondContact O-CB 3.47Å; K712-R716 PolarHBondContact O-N 2.9Å
713E53.6Low52.5Low91 Ų91132.8 Ų132.843%0.42563%0.626SS.*Hα-helixtrans-76.3-43.4173.6-75.3162.5-173.800111.1Q709 Q710 L711 Y715 R716 E717Q709-E713 VanDerWaalsContact CG-OE1 3.28Å; Q709-E713 WeakPolarHBondContact CG-OE1 3.48Å; Q709-E713 PolarHBondContact NE2-OE1 3.38Å; Q709-E713 WeakPolarHBondContact O-CG 3.36Å; Q709-E713 PolarHBondContact O-N 3.15Å; Q710-E713 PolarHBondContact O-N 2.89Å; L711-E713 VanDerWaalsContact C-N 3.3Å; L711-E713 PolarHBondContact O-N 2.98Å; E713-Y715 VanDerWaalsContact C-N 3.33Å; E713-Y715 PolarHBondContact O-N 3.47Å; E713-R716 CarbonylContact O-C 3.55Å; E713-R716 WeakPolarHBondContact O-CA 3.44Å; E713-R716 WeakPolarHBondContact O-CB 3.46Å; E713-R716 PolarHBondContact O-N 3.47Å; E713-E717 PolarHBondContact O-N 3.2Å
714Q42.6Very low50Low125 Ų125134.2 Ų134.258%0.58464%0.641SS**Hα-helixtrans-59.4-40.7172.1-169.117723.900112.2Q710 L711 S718Q710-Q714 VanDerWaalsContact O-CB 3.28Å; Q710-Q714 WeakPolarHBondContact O-CB 3.28Å; Q710-Q714 PolarHBondContact O-N 2.97Å; L711-Q714 PolarHBondContact O-N 3.26Å; Q714-S718 WeakPolarHBondContact O-CB 3.49Å; Q714-S718 PolarHBondContact O-N 2.92Å
715Y42.5Very low47.9Very low159 Ų159130.6 Ų130.662%0.62465%0.645SS**Hα-helixtrans-65.6-41.5169.5-87-66.4000112L711 E713 E717 S718 W719L711-Y715 WeakPolarHBondContact O-CB 3.47Å; L711-Y715 VanDerWaalsContact O-CD2 3.25Å; L711-Y715 WeakPolarHBondContact O-CD2 3.31Å; L711-Y715 PolarHBondContact O-N 3.45Å; E713-Y715 VanDerWaalsContact C-N 3.33Å; E713-Y715 PolarHBondContact O-N 3.47Å; Y715-E717 VanDerWaalsContact C-N 3.32Å; Y715-E717 PolarHBondContact O-N 3.35Å; Y715-S718 PolarHBondContact O-N 3.21Å; Y715-W719 VanDerWaalsContact O-CD1 3.28Å; Y715-W719 PolarHBondContact O-N 3.1Å
716R38.8Very low45.6Very low193 Ų193138.1 Ų138.173%0.72867%0.667SS**Hα-helixtrans-60.4-40.3176.5172.5-177.4-95.8-158.3-6111.9K712 E713 W719 M720K712-R716 WeakPolarHBondContact O-CB 3.47Å; K712-R716 PolarHBondContact O-N 2.9Å; E713-R716 CarbonylContact O-C 3.55Å; E713-R716 WeakPolarHBondContact O-CA 3.44Å; E713-R716 WeakPolarHBondContact O-CB 3.46Å; E713-R716 PolarHBondContact O-N 3.47Å; R716-W719 PolarHBondContact O-N 3.03Å; R716-M720 VanDerWaalsContact O-CG 3.25Å; R716-M720 WeakPolarHBondContact O-CG 3.48Å
717E35.7Very low43.7Very low138 Ų138142.4 Ų142.465%0.64568%0.679SS**Hα-helixtrans-70.1-39.4176.2-68.9-175.4146.200112E713 Y715 W719 M720E713-E717 PolarHBondContact O-N 3.2Å; Y715-E717 VanDerWaalsContact C-N 3.32Å; Y715-E717 PolarHBondContact O-N 3.35Å; E717-W719 PolarHBondContact O-N 3.46Å; E717-M720 PolarHBondContact O-N 2.89Å
718S29.8Very low41.7Very low89 Ų89141.2 Ų141.262%0.62268%0.679SS**Hα-helixtrans-59.2-29.3175.3-178.60000113.4Q714 Y715Q714-S718 WeakPolarHBondContact O-CB 3.49Å; Q714-S718 PolarHBondContact O-N 2.92Å; Y715-S718 PolarHBondContact O-N 3.21Å
719W33.8Very low39.8Very low228 Ų228144 Ų14486%0.86468%0.684SS**THydrogen-bonded Turntrans-84.3-2.1173.7-79.979.5000114.7Y715 R716 E717Y715-W719 VanDerWaalsContact O-CD1 3.28Å; Y715-W719 PolarHBondContact O-N 3.1Å; R716-W719 PolarHBondContact O-N 3.03Å; E717-W719 PolarHBondContact O-N 3.46Å
720M40.7Very low37.9Very low155 Ų155145.2 Ų145.276%0.76469%0.694SS**THydrogen-bonded Turntrans-107.2-5.7-175.8-70.1-78.2-79.600114.2R716 E717R716-M720 VanDerWaalsContact O-CG 3.25Å; R716-M720 WeakPolarHBondContact O-CG 3.48Å; E717-M720 PolarHBondContact O-N 2.89Å
721L32.2Very low36.1Very low141 Ų141145.7 Ų145.774%0.73870%0.704SS**SBendtrans-120.576.8-177.2-74.2171.8000112.9
722H28.8Very low34.3Very low181 Ų181147 Ų14784%0.83872%0.719SS**  173.495.2129-101.6-78.5000112.3
723N25.3Very low32.6Very low172 Ų172147.3 Ų147.392%0.9273%0.726SS**  trans-16888.2136.4-110.9-46.1000112.3
724S27.9Very low31.4Very low124 Ų124149.8 Ų149.887%0.86774%0.743SS**  trans-148.5134.7162.264.60000110.2
725G29.6Very low30.6Very low59 Ų59149 Ų14961%0.60875%0.746SS**  trans128.884.9163.700000117.9
726F23.5Very low30Very low217 Ų217150.5 Ų150.595%0.95275%0.75SS**  trans-149.9139.8144.9-97-74.7000109.9
727R32.7Very low29.5Very low210 Ų210149.8 Ų149.879%0.79275%0.748SS**  -158-179.5-64.8-123.5-169.4-169-99.53109.2
728N27.8Very low29.2Very low113 Ų113149.8 Ų149.860%0.60475%0.747SS**  trans102.5143.3159.5-63.3-15000117.6
729Y27.5Very low29.2Very low185 Ų185152.2 Ų152.273%0.72575%0.749SS**  cis-141.5152.64.1-108.3-53000112.8
730N26.9Very low29.1Very low134 Ų134148.1 Ų148.172%0.71774%0.743SS**  trans64.3141.9155.5-65.2-9.7000118.3
731T27.5Very low28.5Very low121 Ų121145 Ų14574%0.74274%0.737SS**  cis-166.8165-0.914.70000107
732S29.3Very low28.3Very low90 Ų90145.4 Ų145.463%0.62974%0.74SS**  cis-172.4167.2-2.645.70000109.7
733I27.6Very low28.4Very low169 Ų169144.5 Ų144.587%0.86774%0.739SS**  trans72.5141.7165.9-61.8162.1000115.7
734D29.2Very low28.6Very low143 Ų143142.1 Ų142.177%0.76573%0.731SS**  cis-166.8-179.9-37.5-166.27.9000107.9
735V26.1Very low28.7Very low107 Ų107145 Ų14565%0.64873%0.731SS**  trans9292.8164-168.30000118
736R28.4Very low28.6Very low191 Ų191149.7 Ų149.772%0.72174%0.741SS**  50.1142.7126.9-59.8178.8-162.2-108.42.9119.5
737R29.3Very low30.1Very low178 Ų178144.5 Ų144.567%0.67273%0.729SS**  cis-173.3152.512.3-121.5176.8-178.9145.2-8.8110.5
738H28.5Very low29.9Very low138 Ų138141.4 Ų141.464%0.63972%0.724SS**  trans51.8152.9142.1-63.7-28.3000122.1
739E30.7Very low29.9Very low141 Ų141143.8 Ų143.866%0.65973%0.729SS**  cis-164.3150.8-7.6-109.6161157.900111.9
740L30.9Very low30Very low142 Ų142140.3 Ų140.374%0.74373%0.731SS**  trans55121.1141.3-61.3168.2000120.5
741S28.1Very low30.3Very low90 Ų90140.1 Ų140.163%0.62973%0.73SS**  102.6152.885.9-88.40000113
742D28.7Very low30.6Very low148 Ų148142.3 Ų142.379%0.79173%0.73SS**  cis-146.4178.40.3-89.8-30.8000110.9
743I31.7Very low30.6Very low162 Ų162144 Ų14483%0.83173%0.732SS**  trans-132.8136.8178-58.1170.6000110.9
744T28.6Very low30.8Very low123 Ų123140.3 Ų140.376%0.75572%0.721SS**  trans179.8148.9157.617.50000109.2
745E29.2Very low31.3Very low183 Ų183139.3 Ų139.386%0.85573%0.725SS**  cis-158.3-179-20.6-136.9169.6-156.700110.8
746L28.1Very low31.6Very low159 Ų159140.1 Ų140.183%0.83274%0.736SS**  trans-99.9-165.9177.9-78.1165.7000110.9
747P56.3Low31.7Very low108 Ų108135 Ų13570%0.70173%0.734SS**  -125.3-173-62.138-23.8000111.9
748E27.4Very low31.9Very low145 Ų145137.2 Ų137.268%0.67874%0.744SS**  174.2139.6129-96.8-169-179.900115.9
749K27.2Very low32.1Very low163 Ų163137.5 Ų137.571%0.70975%0.75SS**  trans46.8149.7135.4-63.1172.9-160.7152.70121.9
750S29.9Very low32.1Very low111 Ų111138 Ų13878%0.77676%0.763SS**  cis-164.3172.2-2.943.50000113
751D34.3Very low32.1Very low130 Ų130134.1 Ų134.170%0.69576%0.757SS**  trans-77.9-171-172.7-37.1-45.8000118.2
752K33.1Very low31.9Very low168 Ų168139.4 Ų139.473%0.7377%0.772SS**  trans89.3142.8155.4-92.376178.21760118.5
753D30.1Very low31.9Very low125 Ų125137.6 Ų137.667%0.66877%0.771SS**  cis-159.6158.3-13.3-143.7-27000113.6
754S30.2Very low31.8Very low92 Ų92135.4 Ų135.464%0.64377%0.769SS**  trans42.5115.3147.4-67.50000124.8
755S41.3Very low31.6Very low121 Ų121141.8 Ų141.885%0.84678%0.779SS**  66.1133.4121.8-54.80000124.5
756S31.1Very low31.8Very low125 Ų125138.3 Ų138.387%0.87478%0.775SS**  trans-155.2167.7148.265.40000111.6
757A31.3Very low31.8Very low83 Ų83137.6 Ų137.669%0.68678%0.778SS**  trans-153.8160.2-17200000114.8
758Y33.2Very low31.3Very low224 Ų224137.7 Ų137.788%0.87878%0.778SS**  trans-131.6134162.1-73-94.7000108.1
759N32.7Very low31.4Very low144 Ų144138 Ų13877%0.7778%0.784SS**  cis8797.234.9-79.1-35000116.4
760T30.8Very low31.3Very low152 Ų152135.1 Ų135.193%0.93378%0.78SS**  trans-168.4139131.1-66.40000106.2
761G29.9Very low31.4Very low60 Ų60137.1 Ų137.162%0.61978%0.781SS**  cis163.2148.9-4.300000110.1
762E24.8Very low31.1Very low201 Ų201138.1 Ų138.194%0.93978%0.781SS**  trans74.2143.3175.5-62.5-170.2-149.100119
763S29.2Very low30.8Very low111 Ų111136.7 Ų136.778%0.77678%0.781SS**  cis-158.1151.8-23.9-169.20000110.2
764C28.2Very low30.4Very low116 Ų116135.4 Ų135.478%0.78478%0.781SS**  trans-94141.1-172.9-64.10000113.5
765R25.2Very low31.4Very low256 Ų256136 Ų13697%0.96678%0.783SS**  trans-139.7136.4141.7-76-157.3173-124.2-6.2111.2
766S33.9Very low30.8Very low111 Ų111136.5 Ų136.578%0.77678%0.776SS**  trans-125.5159.4-173.144.90000110.8
767T26.9Very low30.6Very low144 Ų144136.5 Ų136.588%0.88377%0.766SS**  trans-163.1155.3141.627.20000111.1
768P47Very low30.8Very low110 Ų110136.7 Ų136.771%0.71476%0.763SS**  trans-132-144.9-155.639.9-18.8000113.2
769L29.1Very low30.5Very low151 Ų151132.6 Ų132.679%0.79176%0.755SS**  trans93.2146.7169-56.3177.4000115.9
770T26Very low30.3Very low102 Ų102134.9 Ų134.963%0.62675%0.753SS**  cis-156.9142.19-2.90000112
771L30.3Very low30.2Very low154 Ų154137.1 Ų137.181%0.80674%0.744SS**  trans63.2154.1150.2-52169.6000118.5
772E29Very low30Very low150 Ų150138.7 Ų138.770%0.70175%0.752SS**  cis-164.3177.8-14.6-103.2-73.570.400106.3
773I25.9Very low30Very low139 Ų139133 Ų13371%0.71374%0.739SS**  cis-144.6-177.613.2-157.3151.9000111.3
774S22Very low29.8Very low97 Ų97137 Ų13768%0.67875%0.746SS**  trans-141.6-154.5172.4-620000109
775P51.9Low29.6Very low105 Ų105134.6 Ų134.668%0.68274%0.74SS**  cis-141.8-155-9.739.8-16.9000114.4
776D27.6Very low29.5Very low131 Ų131130.2 Ų130.270%0.70173%0.734SS**  trans79.8147144.8-86.630.6000121.6
777N28.4Very low29.1Very low125 Ų125130 Ų13067%0.66873%0.733SS**  cis-170.6172-20.9-130.2-34000107.2
778S35.4Very low28.7Very low88 Ų88128.8 Ų128.862%0.61573%0.729SS**  cis-165.1177.5-5.9-152.50000109.7
779L27Very low28Very low138 Ų138129 Ų12972%0.72373%0.73SS**  148104.9124.7-76.5179.4000117
780R28.2Very low27.7Very low192 Ų192127.4 Ų127.473%0.72573%0.732SS**  trans67.7150.1133.7-64.5-173.2173.2-133.4-12.3120
781R28.2Very low27.7Very low198 Ų198127.1 Ų127.175%0.74773%0.734SS**  cis-162.7152.2-2.3-130.1-171.1-60.8-168.51.2111.3
782A26Very low27.4Very low93 Ų93128.7 Ų128.777%0.76974%0.737SS**  trans45.3148139.400000122.1
783A25.2Very low27.2Very low82 Ų82125.3 Ų125.368%0.67874%0.743SS**  cis-167.3178-10.700000111
784E24.1Very low27.1Very low195 Ų195123.3 Ų123.391%0.91175%0.747SS**  trans-4.6147.8158.4-62.1141.6-157.200120.2
785G24.3Very low27.2Very low65 Ų65125.1 Ų125.167%0.6775%0.754SS**  cis159.1-178-2.400000113.5
786I24.5Very low25.9Very low164 Ų164123.9 Ų123.984%0.84175%0.752SS**  trans82.8125.8157.6-54.2169.3000120.5
787S23.5Very low25.7Very low107 Ų107123.9 Ų123.975%0.74876%0.757SS**  trans63.9128.9152.870.10000124.2
788C20.3Very low25.4Very low119 Ų119123 Ų12380%0.80476%0.756SS**  trans-84172.8146.9-47.70000110.4
789P32Very low24.9Very low114 Ų114127.4 Ų127.474%0.7477%0.767SS**  -152.5177.991.243.1-25.9000116.3
790S23.2Very low24.8Very low118 Ų118123.8 Ų123.883%0.82576%0.757SS**  trans24153.1133.6-60.40000121.9
791S25.3Very low24.7Very low95 Ų95126 Ų12666%0.66477%0.767SS**  cis-165.5178.2-4.5-167.90000109
792E23.9Very low24.6Very low187 Ų187120 Ų12087%0.87477%0.767SS**  trans-3.7145154.7-62164.5160.100119.4
793G25Very low25.1Very low80 Ų80122 Ų12283%0.82577%0.772SS**  trans162.8103158.300000117.8
794A24.2Very low25.1Very low96 Ų96122.2 Ų122.279%0.79377%0.774SS**  trans-67.7171.1172.300000115.6
795V23.6Very low25.8Very low136 Ų136117.9 Ų117.982%0.82476%0.763SS**  trans79.798.7154.6177.80000119.6
796A23.6Very low26Very low78 Ų78124.2 Ų124.265%0.64577%0.772SS**  39.5137.8125.500000124.3
797T23.2Very low26.1Very low131 Ų131122.9 Ų122.980%0.80477%0.766SS**  trans68153.9149.749.50000118.1
798T23.7Very low26.2Very low107 Ų107124 Ų12466%0.65676%0.763SS**  cis-154.1157.120.4-4.40000112.1
799E24Very low26.4Very low181 Ų181125.7 Ų125.785%0.84676%0.763SS**  trans60.8156.7141.5-75.4-178.2-172.700122.5
800A25.4Very low26Very low62 Ų62124.6 Ų124.651%0.51276%0.759SS.*  cis-163.5177.6-10.600000112.1
801Y25.2Very low26Very low239 Ų239126.7 Ų126.794%0.93776%0.759SS**  trans69.7134.6172.7-53.3-87.8000115.8
802G25.8Very low26Very low72 Ų72127.8 Ų127.874%0.74276%0.762SS**  cis135.71582.200000110.9
803P36.9Very low26.1Very low133 Ų133128 Ų12886%0.86476%0.763SS**  cis-124.8-170.9342.5-27.1000114.6
804A25.3Very low26Very low87 Ų87131.7 Ų131.772%0.71976%0.763SS**  trans-89.1-167.7175.800000111.5
805P39.7Very low26.6Very low105 Ų105132.7 Ų132.768%0.68276%0.762SS**  cis-149152.333.842.2-20.4000120.5
806K28.4Very low26.7Very low198 Ų198134.8 Ų134.886%0.86176%0.763SS**  trans53.6156.9130.6-61.1173.2-174.5177.40122.6
807N25.3Very low26.9Very low136 Ų136137.9 Ų137.973%0.72777%0.773SS**  cis-175.3171.5-34.5-153.5-6.2000109.5
808L26.3Very low26.9Very low129 Ų129135.2 Ų135.268%0.67577%0.771SS**  trans75.1120.1151.9-66.7169.7000122.3
809L24.8Very low27Very low155 Ų155136.3 Ų136.381%0.81278%0.779SS**  90143.3128.6-68.6171.6000123.4
810S23.3Very low27.6Very low92 Ų92133.1 Ų133.164%0.64377%0.773SS**  trans-77.1156.8176.851.70000115.2
811I24.1Very low27.5Very low162 Ų162135.9 Ų135.983%0.83178%0.784SS**  -175.2169.2119.1-95.4158.8000110.3
812T25.4Very low27.4Very low118 Ų118135.3 Ų135.372%0.72478%0.782SS**  trans-71.7156.4-174.249.70000116.2
813E24.6Very low27.3Very low192 Ų192136.3 Ų136.390%0.89778%0.777SS**  -171.8147.9129.8-106.1165.1-168.800112.4
814D24.3Very low27.2Very low156 Ų156135.7 Ų135.783%0.83477%0.773SS**  trans-90.1160.2167.8-75.4-63000110.2
815P36.6Very low27.2Very low118 Ų118136.5 Ų136.577%0.76677%0.774SS**  -153.6152.310637.3-18.9000118.7
816E25.4Very low26.5Very low179 Ų179137.9 Ų137.984%0.83678%0.775SS**  trans39.1120.2141.1-56.5-15914800124.8
817V27.1Very low26.4Very low144 Ų144137.2 Ų137.287%0.87377%0.772SS**  39.5125.8120.3-173.20000120.7
818G23.6Very low26.3Very low74 Ų74138.1 Ų138.176%0.76377%0.772SS**  trans-166127.9157.900000115.3
819T25.3Very low26.3Very low131 Ų131139.8 Ų139.880%0.80478%0.78SS**  trans-144.2143.5168.4-28.60000107.8
820P36.2Very low26.1Very low114 Ų114139.2 Ų139.274%0.7478%0.778SS**  -155.1144.2103.436.8-17.2000118
821T23.1Very low27.2Very low120 Ų120139.5 Ų139.574%0.73678%0.778SS**  44.8116.5127.3-46.50000122.8
822Y23.3Very low27.2Very low226 Ų226137.6 Ų137.689%0.88678%0.779SS**  -157.9160.1120-136.9-97.3000113.1
823S23.6Very low27Very low93 Ų93140.5 Ų140.565%0.6578%0.784SS**  trans-148.8160.4-179.964.70000112.5
824P35.6Very low28.1Very low120 Ų120136.3 Ų136.378%0.77977%0.774SS**  -137.5152106.414.68.6000113.5
825S24.8Very low28.2Very low104 Ų104136 Ų13673%0.72777%0.771SS**  64.713779.1-1100000114.8
826L25.6Very low27.6Very low134 Ų134138 Ų13870%0.70277%0.77SS**  cis-158151.524.7-92.9121.3000113.8
827K25.5Very low27.7Very low185 Ų185134.1 Ų134.180%0.80476%0.763SS**  trans61.5159.5141.9-76.8179.9-178.5175.50122.6
828E24.4Very low27.8Very low154 Ų154134.8 Ų134.872%0.7275%0.754SS**  cis-178.1167.9-30.2-109.9-67.8170.300110.5
829L25.5Very low28.1Very low164 Ų164138.1 Ų138.186%0.85975%0.75SS**  trans80.1162.1158.5-71.5164.5000123.8
830D20.3Very low28.1Very low144 Ų144142.3 Ų142.377%0.7775%0.751SS**  trans-139.2-156.3-162.4-167.125.7000108.9
831P47.4Very low27.8Very low98 Ų98148.7 Ų148.764%0.63676%0.76SS**  -117.4-168.3-53.6185.7000114.3
832S23Very low28Very low122 Ų122146.9 Ų146.985%0.85376%0.757SS**  trans128.5174.6135.776.80000120.4
833Q22.7Very low28.2Very low179 Ų179141.9 Ų141.984%0.83676%0.756SS**  trans-124.2-155.5-161.5-59.7-177.2-18.500112.9
834P47.2Very low28.4Very low104 Ų104145.4 Ų145.468%0.67577%0.767SS**  -121.7-153.9-77.434.1-14000114
835L25.8Very low28Very low149 Ų149142.2 Ų142.278%0.7876%0.757SS**  trans81.2149.4163.9-67.6165.2000118.2
836E25.4Very low28.2Very low160 Ų160143 Ų14375%0.74876%0.762SS**  cis-165.5147-13.3-150.5-171.1175.200114.5
837S26.1Very low28.2Very low98 Ų98148.8 Ų148.869%0.68577%0.774SS**  trans62.7168.5151.182.20000120.9
838K29.6Very low28.5Very low158 Ų158145.1 Ų145.169%0.68777%0.772SS**  cis-166.4138.48.6-159.9156.6179165.80115.8
839E29.4Very low29.3Very low143 Ų143143.6 Ų143.667%0.66878%0.775SS**  trans48.1160.7152-60.2165-172.900122.4
840R26.8Very low29.3Very low220 Ų220141.9 Ų141.983%0.8377%0.772SS**  cis-154.1140.431.4-66.7173.9177.8175.71.4110.8
841R28.9Very low30.2Very low247 Ų247140.4 Ų140.493%0.93277%0.77SS**  50.9141.688.3-69.3-165.8-177.5-156.33.3117.9
842A26.7Very low29.2Very low82 Ų82140.5 Ų140.568%0.67877%0.774SS**  cis-174.6163.4-13.800000113
843S27.6Very low29.4Very low122 Ų122142.6 Ų142.685%0.85377%0.77SS**  trans63.4160.7157.8-68.70000121.2
844D29.1Very low29.6Very low166 Ų166142.4 Ų142.489%0.88877%0.766SS**  cis-173164.4-29.2-166.91.2000109.8
845G26.9Very low28.7Very low54 Ų54145.6 Ų145.656%0.55778%0.777SS**  trans111.767.7146.400000125.9
846S28.7Very low28.5Very low120 Ų120142.3 Ų142.384%0.83978%0.779SS**  trans74.1160.4134.1830000126.3
847R26.3Very low28.5Very low255 Ų255140.7 Ų140.796%0.96279%0.785SS**  trans90.4158.2161.3-91.7-179.4172.8173.2-0.9122.1
848S31.9Very low28.5Very low109 Ų109140.1 Ų140.176%0.76279%0.787SS**  trans-133.8176.5-162.665.80000112.6
849P40.2Very low28.2Very low121 Ų121143.9 Ų143.979%0.78680%0.798SS**  -153.3-15672.742.2-18.7000117.4
850T26.1Very low28.2Very low129 Ų129144.6 Ų144.679%0.79181%0.806SS**  trans-81.5-168.2-168.757.50000115.4
851P39.6Very low28.5Very low112 Ų112139.5 Ų139.573%0.72780%0.801SS**  cis-144.6-179.32.738.7-16.3000119.3
852S24.8Very low28.3Very low101 Ų101133.2 Ų133.271%0.70679%0.79SS**  trans136.6126.5131.7-62.20000122.1
853Q28Very low28.5Very low166 Ų166139.2 Ų139.278%0.77680%0.797SS**  trans68.1111.6135-63.9-16553.900127.5
854K27.5Very low28.3Very low175 Ų175142.7 Ų142.776%0.76180%0.799SS**  67.6129.2118.5-74.6-174.5171.4-178.90126.5
855L26.5Very low28.1Very low170 Ų170143.2 Ų143.289%0.8980%0.796SS**  trans73.6136140.2-96.276.5000122.8
856G23.6Very low28.3Very low81 Ų81146.1 Ų146.184%0.83581%0.808SS**  trans165.6151.1166.700000112.9
857S23.8Very low28.8Very low126 Ų126145.6 Ų145.688%0.88180%0.802SS**  trans-159.7135.1179.6179.30000112.9
858A25.7Very low28.8Very low86 Ų86144.7 Ų144.771%0.71180%0.8SS**  trans176.7133.4148.800000114.3
859Y24.6Very low28.8Very low236 Ų236148 Ų14893%0.92580%0.8SS**  trans28.3158143.2-63.7-87000126.2
860L28.9Very low28.5Very low158 Ų158151.3 Ų151.383%0.82781%0.805SS**  trans-79.6179.4179.3-72.8165000112.9
861P33.1Very low29Very low113 Ų113149.9 Ų149.973%0.73481%0.807SS**  cis-149.7158.322.743.1-21.1000122.1
862T24.9Very low29.2Very low115 Ų115153.3 Ų153.371%0.70681%0.812SS**  60.5118.8129.6-520000126
863Y30.7Very low30Very low209 Ų209153.5 Ų153.582%0.8280%0.804SS**  trans50.4136.1151-73.1-54.3000126
864H24.2Very low30.9Very low194 Ų194149 Ų14990%0.89879%0.79SS**  trans-163.6175.3130.9-103.4-70000111.5
865H24.7Very low31.8Very low177 Ų177144.1 Ų144.182%0.81978%0.782SS**  trans-114.7148.8-168.3-81.9-98.2000115.8
866S30.6Very low32.8Very low116 Ų116143.7 Ų143.781%0.81178%0.775SS**  trans64.7175.2152.7-123.90000117.9
867P38.7Very low34.2Very low109 Ų109141 Ų14171%0.70875%0.745SS**  cis-132.2168.3-12.740.5-25.7000115.5
868Y27.1Very low35.5Very low235 Ų235140 Ų14092%0.92273%0.726SS**  trans-150.4170.6148.1-138.7-99.8000112.9
869K31.4Very low36.4Very low178 Ų178144.4 Ų144.477%0.77473%0.732SS**  trans-111.2150.5-154.4-61.4178.1-178.8177.70116.1
870H34.9Very low37.4Very low192 Ų192139.8 Ų139.889%0.88971%0.714SS**  trans-17.3138.5165.4-59.385.9000119.4
871A36.5Very low38.4Very low99 Ų99138.2 Ų138.282%0.81870%0.702SS**PPolyproline II helixtrans-100.5154.3155.700000110.6
872H43.2Very low39.2Very low184 Ų184136.7 Ų136.785%0.85269%0.694SS**PPolyproline II helixtrans-97.3132.5-169.1-166.9-76.6000112.5
873I40.4Very low40.3Very low104 Ų104137.9 Ų137.953%0.53369%0.687SS.*PPolyproline II helixtrans-102.4127.7-177-60.1177.2000110.5A877I873-A877 HydrophobicContact CG2-CB 3.83Å
874P47Very low40.9Very low73 Ų73131.9 Ų131.947%0.47467%0.667SS.*PPolyproline II helixtrans-65.6151.2177.2-23.334.9000114.3H876 A877P874-H876 PolarHBondContact O-N 3.33Å; P874-A877 WeakPolarHBondContact O-CB 3.35Å; P874-A877 PolarHBondContact O-N 3.04Å
875A46.9Very low42.2Very low72 Ų72128.5 Ų128.560%0.59565%0.652SS**G310 helixtrans-56-40.6-173.100000114.7A877 Q878A875-A877 PolarHBondContact O-N 3.35Å; A875-A877 VanDerWaalsContact O-N 3.11Å; A875-Q878 WeakPolarHBondContact O-CB 3.45Å; A875-Q878 WeakPolarHBondContact O-CG 3.49Å; A875-Q878 PolarHBondContact O-N 3.47Å; A875-Q878 VanDerWaalsContact O-N 3.07Å
876H47.5Very low43.3Very low160 Ų160124.7 Ų124.774%0.74164%0.637SS**G310 helixtrans-63-20.2179.976.9-98.4000113.6P874P874-H876 PolarHBondContact O-N 3.33Å
877A54.2Low44.2Very low25 Ų25122.3 Ų122.321%0.20761%0.614CS.*G310 helixtrans-89.2-1.8179.100000113.3I873 P874 A875 H879 Y880I873-A877 HydrophobicContact CG2-CB 3.83Å; P874-A877 WeakPolarHBondContact O-CB 3.35Å; P874-A877 PolarHBondContact O-N 3.04Å; A875-A877 PolarHBondContact O-N 3.35Å; A875-A877 VanDerWaalsContact O-N 3.11Å; A877-H879 VanDerWaalsContact C-N 3.31Å; A877-H879 PolarHBondContact O-N 3.25Å; A877-Y880 WeakPolarHBondContact O-CB 3.44Å; A877-Y880 PolarHBondContact O-N 2.94Å
878Q50.7Low44.7Very low105 Ų105123.4 Ų123.449%0.49161%0.61SS.*G310 helixtrans-66.2-30.1-176.9-69.2177.4-5.600113.2A875 Y880 Q881A875-Q878 WeakPolarHBondContact O-CB 3.45Å; A875-Q878 WeakPolarHBondContact O-CG 3.49Å; A875-Q878 PolarHBondContact O-N 3.47Å; A875-Q878 VanDerWaalsContact O-N 3.07Å; Q878-Y880 PolarHBondContact O-N 3.43Å; Q878-Q881 WeakPolarHBondContact O-CB 3.37Å; Q878-Q881 VanDerWaalsContact O-CG 3.24Å; Q878-Q881 WeakPolarHBondContact O-CG 3.3Å; Q878-Q881 PolarHBondContact O-N 3.26Å; Q878-Q881 VanDerWaalsContact O-N 3.09Å
879H45Very low45.8Very low178 Ų178118 Ų11882%0.82459%0.593SS**G310 helixtrans-65.9-15.8171.6-83.1-80.9000114.1A877 Q881A877-H879 VanDerWaalsContact C-N 3.31Å; A877-H879 PolarHBondContact O-N 3.25Å; H879-Q881 VanDerWaalsContact C-N 3.35Å
880Y45.6Very low46.6Very low140 Ų140116 Ų11655%0.54958%0.584SS.*G310 helixtrans-90.311.2173.1-67.1-80000113.2A877 Q878 S882 Y883 M884A877-Y880 WeakPolarHBondContact O-CB 3.44Å; A877-Y880 PolarHBondContact O-N 2.94Å; Q878-Y880 PolarHBondContact O-N 3.43Å; Y880-S882 PolarHBondContact O-N 2.83Å; Y880-Y883 AromaticContact CD1-CD1 3.86Å; Y880-Y883 HydrophobicContact CD1-CD1 3.86Å; Y880-Y883 HydrophobicContact CD1-CG 4.23Å; Y880-Y883 CarbonylContact O-C 3.6Å; Y880-Y883 PolarHBondContact O-N 2.95Å; Y880-M884 WeakPolarHBondContact O-CB 3.32Å; Y880-M884 WeakPolarHBondContact O-CG 3.44Å; Y880-M884 PolarHBondContact O-N 3.48Å
881Q49.5Very low47.2Very low125 Ų125109.3 Ų109.358%0.58456%0.56SS**Hα-helixtrans-58.2-44178.6-81.3175.76.700113Q878 H879 M884 Q885Q878-Q881 WeakPolarHBondContact O-CB 3.37Å; Q878-Q881 VanDerWaalsContact O-CG 3.24Å; Q878-Q881 WeakPolarHBondContact O-CG 3.3Å; Q878-Q881 PolarHBondContact O-N 3.26Å; Q878-Q881 VanDerWaalsContact O-N 3.09Å; H879-Q881 VanDerWaalsContact C-N 3.35Å; Q881-M884 PolarHBondContact O-N 3.29Å; Q881-Q885 VanDerWaalsContact O-CB 3.26Å; Q881-Q885 WeakPolarHBondContact O-CB 3.33Å; Q881-Q885 PolarHBondContact O-N 3.39Å
882S49.9Very low47.8Very low80 Ų80107.3 Ų107.356%0.55954%0.543SS*.Hα-helixtrans-64.8-39.717555.70000112.5Y880 Q885 L886Y880-S882 PolarHBondContact O-N 2.83Å; S882-Q885 PolarHBondContact O-N 3.34Å; S882-L886 WeakPolarHBondContact O-CD1 3.42Å; S882-L886 PolarHBondContact O-N 3.13Å
883Y47.3Very low48.3Very low140 Ų140102.6 Ų102.655%0.54953%0.527SS..Hα-helixtrans-66.9-41.5176.3-175.5-115000112Y880 Q885 L886 I887Y880-Y883 AromaticContact CD1-CD1 3.86Å; Y880-Y883 HydrophobicContact CD1-CD1 3.86Å; Y880-Y883 HydrophobicContact CD1-CG 4.23Å; Y880-Y883 CarbonylContact O-C 3.6Å; Y880-Y883 PolarHBondContact O-N 2.95Å; Y883-Q885 VanDerWaalsContact C-N 3.34Å; Y883-L886 PolarHBondContact O-N 2.7Å; Y883-I887 HydrophobicContact CD1-CD1 3.76Å; Y883-I887 HydrophobicContact CE1-CD1 3.39Å; Y883-I887 HydrophobicContact CE2-CD1 4.29Å; Y883-I887 HydrophobicContact CG-CD1 4.36Å; Y883-I887 WeakPolarHBondContact O-CB 3.12Å; Y883-I887 WeakPolarHBondContact O-CG1 3.5Å; Y883-I887 PolarHBondContact O-N 3.16Å
884M42.8Very low48.8Very low84 Ų84103.2 Ų103.241%0.41453%0.527SS..Hα-helixtrans-69-31.4174-75.6-53.4-47.100112.5Y880 Q881 I887 Q888Y880-M884 WeakPolarHBondContact O-CB 3.32Å; Y880-M884 WeakPolarHBondContact O-CG 3.44Å; Y880-M884 PolarHBondContact O-N 3.48Å; Q881-M884 PolarHBondContact O-N 3.29Å; M884-I887 HydrophobicContact CE-CB 4.49Å; M884-I887 HydrophobicContact CE-CG2 4.18Å; M884-I887 PolarHBondContact O-N 3.05Å; M884-I887 HydrophobicContact SD-CD1 4.33Å; M884-Q888 WeakPolarHBondContact O-CB 3.47Å; M884-Q888 WeakPolarHBondContact O-CG 3.42Å; M884-Q888 PolarHBondContact O-N 2.87Å
885Q51.7Low48.6Very low122 Ų122106.9 Ų106.957%0.5753%0.533SS*.Hα-helixtrans-73.6-36.6173.9-164.2167.21100111.4Q881 S882 Y883 Q888 Q889Q881-Q885 VanDerWaalsContact O-CB 3.26Å; Q881-Q885 WeakPolarHBondContact O-CB 3.33Å; Q881-Q885 PolarHBondContact O-N 3.39Å; S882-Q885 PolarHBondContact O-N 3.34Å; Y883-Q885 VanDerWaalsContact C-N 3.34Å; Q885-Q888 PolarHBondContact O-N 3.21Å; Q885-Q889 WeakPolarHBondContact O-CB 3.43Å; Q885-Q889 WeakPolarHBondContact O-CG 3.49Å; Q885-Q889 PolarHBondContact O-N 3.24Å
886L48.7Very low48.6Very low98 Ų98105.8 Ų105.851%0.51352%0.524SS..Hα-helixtrans-66-37.2167.1-100.394.9000112.4S882 Y883 Q889 K890S882-L886 WeakPolarHBondContact O-CD1 3.42Å; S882-L886 PolarHBondContact O-N 3.13Å; Y883-L886 PolarHBondContact O-N 2.7Å; L886-Q889 PolarHBondContact O-N 2.98Å; L886-K890 WeakPolarHBondContact O-CB 3.28Å; L886-K890 WeakPolarHBondContact O-CG 3.18Å; L886-K890 PolarHBondContact O-N 2.91Å
887I49.7Very low48.5Very low65 Ų65104.4 Ų104.433%0.33352%0.518SS..Hα-helixtrans-68-40.2173.9-76170.8000110.3Y883 M884 K890 S891Y883-I887 HydrophobicContact CD1-CD1 3.76Å; Y883-I887 HydrophobicContact CE1-CD1 3.39Å; Y883-I887 HydrophobicContact CE2-CD1 4.29Å; Y883-I887 HydrophobicContact CG-CD1 4.36Å; Y883-I887 WeakPolarHBondContact O-CB 3.12Å; Y883-I887 WeakPolarHBondContact O-CG1 3.5Å; Y883-I887 PolarHBondContact O-N 3.16Å; M884-I887 HydrophobicContact CE-CB 4.49Å; M884-I887 HydrophobicContact CE-CG2 4.18Å; M884-I887 PolarHBondContact O-N 3.05Å; M884-I887 HydrophobicContact SD-CD1 4.33Å; I887-K890 PolarHBondContact O-N 3.04Å; I887-S891 VanDerWaalsContact O-CB 3.23Å; I887-S891 WeakPolarHBondContact O-CB 3.49Å; I887-S891 PolarHBondContact O-N 3.32Å; I887-S891 PolarHBondContact O-OG 2.81Å
888Q48.2Very low48.1Very low132 Ų132105.6 Ų105.662%0.61752%0.524SS*.Hα-helixtrans-67.1-37173.9-79.6-175.1-23.800112.6M884 Q885 S891 A892M884-Q888 WeakPolarHBondContact O-CB 3.47Å; M884-Q888 WeakPolarHBondContact O-CG 3.42Å; M884-Q888 PolarHBondContact O-N 2.87Å; Q885-Q888 PolarHBondContact O-N 3.21Å; Q888-S891 WeakPolarHBondContact CA-OG 3.13Å; Q888-S891 PolarHBondContact O-OG 2.74Å; Q888-A892 WeakPolarHBondContact O-CB 3.26Å; Q888-A892 PolarHBondContact O-N 3Å
889Q50Low47.6Very low123 Ų123104.3 Ų104.358%0.57552%0.518SS*.Hα-helixtrans-68.5-45.5172.2-77.3-178.7-24.500112.2Q885 L886 A892 V893Q885-Q889 WeakPolarHBondContact O-CB 3.43Å; Q885-Q889 WeakPolarHBondContact O-CG 3.49Å; Q885-Q889 PolarHBondContact O-N 3.24Å; L886-Q889 PolarHBondContact O-N 2.98Å; Q889-A892 PolarHBondContact O-N 3.35Å; Q889-V893 WeakPolarHBondContact O-CG2 3.27Å; Q889-V893 PolarHBondContact O-N 3.42Å
890K48.6Very low47.4Very low134 Ų134103.2 Ų103.258%0.58352%0.516SS*.Hα-helixtrans-62.2-50.7175.6-79.6-169.5172.7-169.80111.7L886 I887 A892 V893 E894L886-K890 WeakPolarHBondContact O-CB 3.28Å; L886-K890 WeakPolarHBondContact O-CG 3.18Å; L886-K890 PolarHBondContact O-N 2.91Å; I887-K890 PolarHBondContact O-N 3.04Å; K890-A892 VanDerWaalsContact C-N 3.28Å; K890-A892 PolarHBondContact O-N 3.33Å; K890-V893 CarbonylContact O-C 3.58Å; K890-V893 PolarHBondContact O-N 2.67Å; K890-V893 VanDerWaalsContact O-N 3.13Å; K890-E894 WeakPolarHBondContact O-CB 3.4Å; K890-E894 VanDerWaalsContact O-CG 3.27Å; K890-E894 WeakPolarHBondContact O-CG 3.4Å; K890-E894 PolarHBondContact O-N 3.5Å
891S47.4Very low47.4Very low53 Ų53100.2 Ų100.237%0.37152%0.515SS..Hα-helixtrans-64.8-27175.559.50000113.3I887 Q888 Y895I887-S891 VanDerWaalsContact O-CB 3.23Å; I887-S891 WeakPolarHBondContact O-CB 3.49Å; I887-S891 PolarHBondContact O-N 3.32Å; I887-S891 PolarHBondContact O-OG 2.81Å; Q888-S891 WeakPolarHBondContact CA-OG 3.13Å; Q888-S891 PolarHBondContact O-OG 2.74Å; S891-Y895 WeakPolarHBondContact O-CA 3.41Å; S891-Y895 WeakPolarHBondContact O-CB 3.5Å; S891-Y895 PolarHBondContact O-N 3.34Å
892A48.7Very low46.8Very low57 Ų5798.7 Ų98.747%0.47151%0.51SS..Hα-helixtrans-73.2-37.7170.900000112.1Q888 Q889 K890 A896Q888-A892 WeakPolarHBondContact O-CB 3.26Å; Q888-A892 PolarHBondContact O-N 3Å; Q889-A892 PolarHBondContact O-N 3.35Å; K890-A892 VanDerWaalsContact C-N 3.28Å; K890-A892 PolarHBondContact O-N 3.33Å; A892-A896 VanDerWaalsContact O-CB 3.29Å; A892-A896 WeakPolarHBondContact O-CB 3.36Å; A892-A896 PolarHBondContact O-N 3.15Å
893V54.8Low46.1Very low85 Ų85100.4 Ų100.452%0.51552%0.518SS..Hα-helixtrans-68.7-44173.4169.60000110.9Q889 K890 A896 Q897Q889-V893 WeakPolarHBondContact O-CG2 3.27Å; Q889-V893 PolarHBondContact O-N 3.42Å; K890-V893 CarbonylContact O-C 3.58Å; K890-V893 PolarHBondContact O-N 2.67Å; K890-V893 VanDerWaalsContact O-N 3.13Å; V893-A896 PolarHBondContact O-N 3.3Å; V893-Q897 WeakPolarHBondContact O-CB 3.31Å; V893-Q897 WeakPolarHBondContact O-CG 3.38Å; V893-Q897 PolarHBondContact O-N 3.22Å
894E50Low45.7Very low116 Ų11698.3 Ų98.354%0.54252%0.523SS..Hα-helixtrans-66.6-36174.3-69.9165.5177.900111.2K890 S898K890-E894 WeakPolarHBondContact O-CB 3.4Å; K890-E894 VanDerWaalsContact O-CG 3.27Å; K890-E894 WeakPolarHBondContact O-CG 3.4Å; K890-E894 PolarHBondContact O-N 3.5Å; E894-S898 WeakPolarHBondContact O-CA 3.33Å; E894-S898 WeakPolarHBondContact O-CB 3.41Å; E894-S898 PolarHBondContact O-N 3.4Å
895Y43.7Very low45.2Very low151 Ų151101.3 Ų101.359%0.59254%0.538SS*.Hα-helixtrans-71.2-35.5173-174.8-99.7000111.9S891 S898 Q899S891-Y895 WeakPolarHBondContact O-CA 3.41Å; S891-Y895 WeakPolarHBondContact O-CB 3.5Å; S891-Y895 PolarHBondContact O-N 3.34Å; Y895-S898 PolarHBondContact O-N 3.43Å; Y895-Q899 HydrophobicContact CD1-CG 4.12Å; Y895-Q899 HydrophobicContact CE1-CG 3.89Å; Y895-Q899 WeakPolarHBondContact O-CB 3.42Å; Y895-Q899 VanDerWaalsContact O-CG 3.24Å; Y895-Q899 WeakPolarHBondContact O-CG 3.44Å; Y895-Q899 PolarHBondContact O-N 2.79Å; Y895-Q899 PolarHBondContact OH-NE2 2.97Å; Y895-Q899 VanDerWaalsContact OH-NE2 3.08Å
896A46.8Very low44.4Very low49 Ų49100.9 Ų100.941%0.40555%0.547SS..Hα-helixtrans-65.7-47.117200000111.4A892 V893 S898 Q899 M900A892-A896 VanDerWaalsContact O-CB 3.29Å; A892-A896 WeakPolarHBondContact O-CB 3.36Å; A892-A896 PolarHBondContact O-N 3.15Å; V893-A896 PolarHBondContact O-N 3.3Å; A896-S898 VanDerWaalsContact C-N 3.31Å; A896-S898 PolarHBondContact O-N 2.65Å; A896-Q899 PolarHBondContact O-N 3.07Å; A896-M900 VanDerWaalsContact O-CG 3.27Å; A896-M900 WeakPolarHBondContact O-CG 3.38Å; A896-M900 PolarHBondContact O-N 3.43Å
897Q45.6Very low43.8Very low130 Ų130105 Ų10561%0.60756%0.561SS**Hα-helixtrans-62.4-37173.3-72.3178.8-12.300112V893 M900 S901V893-Q897 WeakPolarHBondContact O-CB 3.31Å; V893-Q897 WeakPolarHBondContact O-CG 3.38Å; V893-Q897 PolarHBondContact O-N 3.22Å; Q897-M900 PolarHBondContact O-N 3.21Å; Q897-S901 PolarHBondContact O-N 3.5Å
898S44.8Very low42.8Very low50 Ų50109.2 Ų109.235%0.3558%0.584SS.*Hα-helixtrans-67.5-43.3175.2-176.80000112.1E894 Y895 A896 M900 S901 L902E894-S898 WeakPolarHBondContact O-CA 3.33Å; E894-S898 WeakPolarHBondContact O-CB 3.41Å; E894-S898 PolarHBondContact O-N 3.4Å; Y895-S898 PolarHBondContact O-N 3.43Å; A896-S898 VanDerWaalsContact C-N 3.31Å; A896-S898 PolarHBondContact O-N 2.65Å; S898-M900 VanDerWaalsContact C-N 3.33Å; S898-M900 PolarHBondContact O-N 3.38Å; S898-S901 CarbonylContact O-C 3.53Å; S898-S901 WeakPolarHBondContact O-CA 3.36Å; S898-S901 WeakPolarHBondContact O-CB 3.48Å; S898-S901 PolarHBondContact O-N 2.85Å; S898-L902 WeakPolarHBondContact O-CB 3.45Å; S898-L902 WeakPolarHBondContact O-CG 3.41Å; S898-L902 PolarHBondContact O-N 3.38Å
899Q40.5Very low41.8Very low78 Ų78111.4 Ų111.436%0.36460%0.599SS.*Hα-helixtrans-60.6-42.1172.4-75.2-72.7-11.500111.3Y895 A896 S901 L902 V903Y895-Q899 HydrophobicContact CD1-CG 4.12Å; Y895-Q899 HydrophobicContact CE1-CG 3.89Å; Y895-Q899 WeakPolarHBondContact O-CB 3.42Å; Y895-Q899 VanDerWaalsContact O-CG 3.24Å; Y895-Q899 WeakPolarHBondContact O-CG 3.44Å; Y895-Q899 PolarHBondContact O-N 2.79Å; Y895-Q899 PolarHBondContact OH-NE2 2.97Å; Y895-Q899 VanDerWaalsContact OH-NE2 3.08Å; A896-Q899 PolarHBondContact O-N 3.07Å; Q899-S901 PolarHBondContact O-N 3.49Å; Q899-L902 PolarHBondContact O-N 2.89Å; Q899-V903 WeakPolarHBondContact O-CB 3.31Å; Q899-V903 VanDerWaalsContact O-CG2 3.29Å; Q899-V903 WeakPolarHBondContact O-CG2 3.41Å; Q899-V903 PolarHBondContact O-N 3.09Å; Q899-V903 VanDerWaalsContact O-N 3.13Å
900M41.3Very low40.9Very low156 Ų156110.9 Ų110.977%0.76861%0.609SS**Hα-helixtrans-65-19.8174.2-68.5167.167.100113.5A896 Q897 S898A896-M900 VanDerWaalsContact O-CG 3.27Å; A896-M900 WeakPolarHBondContact O-CG 3.38Å; A896-M900 PolarHBondContact O-N 3.43Å; Q897-M900 PolarHBondContact O-N 3.21Å; S898-M900 VanDerWaalsContact C-N 3.33Å; S898-M900 PolarHBondContact O-N 3.38Å
901S45.4Very low40.3Very low77 Ų77110.1 Ų110.154%0.53862%0.62SS.*Hα-helixtrans-89.8-47.3174.1-167.90000112.5Q897 S898 Q899 V903 S904Q897-S901 PolarHBondContact O-N 3.5Å; S898-S901 CarbonylContact O-C 3.53Å; S898-S901 WeakPolarHBondContact O-CA 3.36Å; S898-S901 WeakPolarHBondContact O-CB 3.48Å; S898-S901 PolarHBondContact O-N 2.85Å; Q899-S901 PolarHBondContact O-N 3.49Å; S901-V903 PolarHBondContact O-N 3.5Å; S901-S904 VanDerWaalsContact O-CB 3.31Å; S901-S904 WeakPolarHBondContact O-CB 3.48Å; S901-S904 PolarHBondContact O-N 2.92Å; S901-S904 VanDerWaalsContact O-N 3.09Å
902L36.4Very low39.8Very low92 Ų92112.7 Ų112.748%0.48264%0.636SS.*Hα-helixtrans-69.1-31.7-175.1-71.5170.6000113.4S898 Q899 S904 M905S898-L902 WeakPolarHBondContact O-CB 3.45Å; S898-L902 WeakPolarHBondContact O-CG 3.41Å; S898-L902 PolarHBondContact O-N 3.38Å; Q899-L902 PolarHBondContact O-N 2.89Å; L902-S904 PolarHBondContact O-N 3.39Å; L902-S904 VanDerWaalsContact O-N 3.14Å; L902-M905 PolarHBondContact O-N 3.4Å; L902-M905 VanDerWaalsContact O-N 3.08Å
903V36Very low38.9Very low117 Ų117116 Ų11671%0.70965%0.651SS**THydrogen-bonded Turntrans-62.1-18.6172.9171.30000112.2Q899 S901Q899-V903 WeakPolarHBondContact O-CB 3.31Å; Q899-V903 VanDerWaalsContact O-CG2 3.29Å; Q899-V903 WeakPolarHBondContact O-CG2 3.41Å; Q899-V903 PolarHBondContact O-N 3.09Å; Q899-V903 VanDerWaalsContact O-N 3.13Å; S901-V903 PolarHBondContact O-N 3.5Å
904S38.5Very low38.3Very low95 Ų95118.2 Ų118.266%0.66467%0.667SS**THydrogen-bonded Turntrans-85.2-14176.1-155.90000114.3S901 L902S901-S904 VanDerWaalsContact O-CB 3.31Å; S901-S904 WeakPolarHBondContact O-CB 3.48Å; S901-S904 PolarHBondContact O-N 2.92Å; S901-S904 VanDerWaalsContact O-N 3.09Å; L902-S904 PolarHBondContact O-N 3.39Å; L902-S904 VanDerWaalsContact O-N 3.14Å
905M33.5Very low37.5Very low147 Ų147118.3 Ų118.372%0.72468%0.68SS**THydrogen-bonded Turntrans-1170-168.7-70-66.7154.400115.3L902L902-M905 PolarHBondContact O-N 3.4Å; L902-M905 VanDerWaalsContact O-N 3.08Å
906C33.1Very low37.5Very low113 Ų113117.5 Ų117.576%0.76468%0.682SS**  trans-111.753.7179.4-78.90000113.8
907K36.8Very low37.5Very low186 Ų186119.4 Ų119.481%0.80969%0.69SS**SBendtrans-133142145.8-101175.6-179.4171.40109.6
908D28Very low37.8Very low152 Ų152123.8 Ų123.881%0.81370%0.701SS**  trans69.552169.3-49.5-18.5000117.6S910D908-S910 PolarHBondContact O-N 3.17Å
909L28.9Very low39Very low179 Ų179124.4 Ų124.494%0.93770%0.699SS**  trans-71.283.8148.8-88177.7000110
910S30.6Very low40.3Very low112 Ų112125.9 Ų125.978%0.78371%0.706SS**  trans-15781169.1-76.20000110D908D908-S910 PolarHBondContact O-N 3.17Å
911S35.3Very low41.7Very low117 Ų117126.7 Ų126.782%0.81870%0.701SS**  trans-74.7146.717267.60000110
912P36.7Very low42.7Very low107 Ų107129.5 Ų129.570%0.69570%0.703SS**  -140.3174.870.639.7-24000116
913T30Very low44.6Very low128 Ų128128.8 Ų128.879%0.78570%0.702SS**SBendtrans74.6144.3171.272.50000117.3
914P41.7Very low45.9Very low131 Ų131127.9 Ų127.985%0.85169%0.689SS**PPolyproline II helixtrans-80.8120.9-178.731.9-33.3000111.2
915S34.4Very low47.8Very low118 Ų118127.9 Ų127.983%0.82568%0.68SS**PPolyproline II helixtrans-85.9140.6-178.6500000113.1
916E42.6Very low49.3Very low133 Ų133126.3 Ų126.362%0.62167%0.666SS**PPolyproline II helixtrans-57.7155177.5-65.3-174.8131.100112.9R918 K935E916-R918 PolarHBondContact O-N 2.91Å; E916-K935 IonicContact OE1-NZ 3.6Å; E916-K935 IonicContact OE2-NZ 2.66Å; E916-K935 PolarHBondContact OE2-NZ 3.16Å
917P47.6Very low50.3Low89 Ų89127.4 Ų127.458%0.57868%0.676SS**PPolyproline II helixtrans-53.7125.1167.823.4-34.5000111M919P917-M919 HydrophobicContact CG-CE 4.08Å; P917-M919 WeakPolarHBondContact O-CG 3.49Å; P917-M919 PolarHBondContact O-N 2.99Å
918R52.3Low51.8Low222 Ų222123.4 Ų123.484%0.83866%0.663SS**PPolyproline II helixtrans-54.7121.8-175.9-165.9176.7-172.7176.33110.7E916 V938E916-R918 PolarHBondContact O-N 2.91Å; R918-V938 WeakPolarHBondContact O-CG2 3.33Å; R918-V938 PolarHBondContact O-N 3.35Å; R918-V938 VanDerWaalsContact O-N 3.13Å
919M69.9Low53.4Low64 Ų64118.5 Ų118.532%0.31565%0.648SS.*EExtended strand (participates in β ladder)trans-119.3149.6-176-59.3-138.9-165.300112.8P917 K935 R936 P937P917-M919 HydrophobicContact CG-CE 4.08Å; P917-M919 WeakPolarHBondContact O-CG 3.49Å; P917-M919 PolarHBondContact O-N 2.99Å; M919-K935 HydrophobicContact CB-CD 4.23Å; M919-K935 HydrophobicContact CB-CG 3.51Å; M919-K935 HydrophobicContact CG-CG 4.08Å; M919-K935 HydrophobicContact SD-CB 4.49Å; M919-K935 HydrophobicContact SD-CD 4.26Å; M919-K935 HydrophobicContact SD-CG 3.77Å; M919-R936 CarbonylContact C-O 3.35Å; M919-R936 WeakPolarHBondContact CA-O 3.21Å; M919-R936 VanDerWaalsContact CB-O 3.3Å; M919-R936 WeakPolarHBondContact CB-O 3.35Å; M919-R936 VanDerWaalsContact SD-C 3.57Å; M919-P937 HydrophobicContact CE-CG 3.97Å; M919-P937 HydrophobicContact SD-CG 3.97Å
920E67.1Low55Low109 Ų109113.1 Ų113.151%0.50962%0.623SS.*EExtended strand (participates in β ladder)trans-109.1142.3177.3-178.9171.6-134.800110.2R936 V938E920-R936 PolarHBondContact N-O 3.1Å; E920-R936 PolarHBondContact O-N 3.48Å; E920-V938 HydrophobicContact CB-CG2 3.72Å
921W70.3Confident57.3Low173 Ų173116.7 Ų116.766%0.65562%0.619SS**EExtended strand (participates in β ladder)trans-92.3102.9178.8-71.7106.4000110.2I933 K935W921-I933 HydrophobicContact CB-CG2 3.87Å; W921-I933 HydrophobicContact CD2-CG2 4.45Å; W921-I933 HydrophobicContact CE3-CB 4.48Å; W921-I933 HydrophobicContact CE3-CG2 3.86Å; W921-K935 HydrophobicContact CD2-CB 4.29Å; W921-K935 HydrophobicContact CD2-CG 4.45Å; W921-K935 HydrophobicContact CE3-CB 3.86Å; W921-K935 HydrophobicContact CE3-CG 4.48Å; W921-K935 HydrophobicContact CH2-CB 4.04Å; W921-K935 HydrophobicContact CH2-CD 4.18Å; W921-K935 HydrophobicContact CH2-CG 4.36Å; W921-K935 HydrophobicContact CZ2-CB 4.42Å; W921-K935 HydrophobicContact CZ2-CD 4.05Å; W921-K935 HydrophobicContact CZ2-CG 4.29Å; W921-K935 HydrophobicContact CZ3-CB 3.74Å; W921-K935 HydrophobicContact CZ3-CG 4.46Å
922K66.4Low59Low136 Ų136115.3 Ų115.359%0.59160%0.597SS**EExtended strand (participates in β ladder)trans-100119.1177.5-168.5156.7-172.9163.30111.1T934K922-T934 PolarHBondContact N-O 3.33Å; K922-T934 PolarHBondContact O-N 2.92Å; K922-T934 PolarHBondContact O-OG1 3.07Å; K922-T934 VanDerWaalsContact O-OG1 3.08Å
923V77.9Confident60.9Low77 Ų77115.1 Ų115.147%0.46759%0.589SS.*EExtended strand (participates in β ladder)trans-69.9125.4169.6-171.30000108.8R931 Y932 I933V923-R931 HydrophobicContact CG1-CB 3.9Å; V923-Y932 WeakPolarHBondContact CA-O 3.42Å; V923-I933 HydrophobicContact CG2-CD1 4.43Å; V923-I933 HydrophobicContact CG2-CG1 4.21Å; V923-I933 HydrophobicContact CG2-CG2 4.25Å
924K61.8Low62.5Low97 Ų97110.8 Ų110.842%0.42256%0.562SS.*EExtended strand (participates in β ladder)trans-110.1148.2167.6-87.5-167.7166-163.20109.8R931 Y932K924-R931 CarbonylContact O-C 3.56Å; K924-R931 WeakPolarHBondContact O-CA 3.37Å; K924-Y932 HydrophobicContact CB-CD1 4.4Å; K924-Y932 HydrophobicContact CB-CE1 3.92Å; K924-Y932 PolarHBondContact N-O 2.84Å; K924-Y932 PolarHBondContact O-N 2.96Å; K924-Y932 VanDerWaalsContact O-O 3.13Å
925I77.9Confident63.8Low95 Ų95108.7 Ų108.749%0.48754%0.54SS..EExtended strand (participates in β ladder)trans-106.2138.1172.4-41-170.8000107.3G929 T930 R931I925-G929 WeakPolarHBondContact CG2-O 3.26Å; I925-T930 CarbonylContact C-O 3.52Å; I925-T930 WeakPolarHBondContact CA-O 3.3Å; I925-R931 HydrophobicContact CD1-CG 4.36Å; I925-R931 HydrophobicContact CG1-CG 4.04Å; I925-R931 HydrophobicContact CG2-CG 4.25Å
926R65.3Low65.2Low114 Ų114110.3 Ų110.343%0.4353%0.528SS..  trans-82.4168.7170-66.5-174.4-173.188.70.6110.6D928 G929 T930 Y932R926-D928 VanDerWaalsContact CB-OD1 3.3Å; R926-D928 WeakPolarHBondContact CB-OD1 3.29Å; R926-D928 WeakPolarHBondContact CB-OD2 3.42Å; R926-D928 VanDerWaalsContact CD-OD2 3.29Å; R926-D928 WeakPolarHBondContact CD-OD2 3.41Å; R926-D928 PolarHBondContact O-N 3.3Å; R926-G929 PolarHBondContact O-N 2.92Å; R926-T930 PolarHBondContact N-O 3.34Å; R926-T930 PolarHBondContact NH1-OG1 2.88Å; R926-Y932 HydrophobicContact CG-CD1 3.98Å; R926-Y932 HydrophobicContact CG-CE1 3.71Å
927S54.5Low66.3Low137 Ų137107.7 Ų107.796%0.95852%0.522SS*.THydrogen-bonded Turntrans-61.3-23.4172.140.50000113.4G929S927-G929 VanDerWaalsContact C-N 3.25Å; S927-G929 PolarHBondContact O-N 3.35Å
928D67.8Low67Low102 Ų102105 Ų10555%0.54550%0.504SS..THydrogen-bonded Turntrans-78.1-0171.859.945.8000114.4R926 T930R926-D928 VanDerWaalsContact CB-OD1 3.3Å; R926-D928 WeakPolarHBondContact CB-OD1 3.29Å; R926-D928 WeakPolarHBondContact CB-OD2 3.42Å; R926-D928 VanDerWaalsContact CD-OD2 3.29Å; R926-D928 WeakPolarHBondContact CD-OD2 3.41Å; R926-D928 PolarHBondContact O-N 3.3Å; D928-T930 VanDerWaalsContact C-N 3.29Å; D928-T930 PolarHBondContact O-N 2.84Å; D928-T930 WeakPolarHBondContact OD1-CA 3.2Å; D928-T930 WeakPolarHBondContact OD1-CB 3.3Å; D928-T930 WeakPolarHBondContact OD1-CG2 3.4Å; D928-T930 PolarHBondContact OD1-N 2.96Å; D928-T930 PolarHBondContact OD1-OG1 3.35Å
929G61.4Low67.6Low49 Ų49103.2 Ų103.251%0.50550%0.497SS..SBendtrans82.2-9.6-178.500000115.4I925 R926 S927I925-G929 WeakPolarHBondContact CG2-O 3.26Å; R926-G929 PolarHBondContact O-N 2.92Å; S927-G929 VanDerWaalsContact C-N 3.25Å; S927-G929 PolarHBondContact O-N 3.35Å
930T62.5Low67Low66 Ų66105.6 Ų105.641%0.40551%0.511SS..  trans-69.7141.4177670000111.5I925 R926 D928I925-T930 CarbonylContact C-O 3.52Å; I925-T930 WeakPolarHBondContact CA-O 3.3Å; R926-T930 PolarHBondContact N-O 3.34Å; R926-T930 PolarHBondContact NH1-OG1 2.88Å; D928-T930 VanDerWaalsContact C-N 3.29Å; D928-T930 PolarHBondContact O-N 2.84Å; D928-T930 WeakPolarHBondContact OD1-CA 3.2Å; D928-T930 WeakPolarHBondContact OD1-CB 3.3Å; D928-T930 WeakPolarHBondContact OD1-CG2 3.4Å; D928-T930 PolarHBondContact OD1-N 2.96Å; D928-T930 PolarHBondContact OD1-OG1 3.35Å
931R79.9Confident66.9Low186 Ų186107.3 Ų107.370%0.70251%0.513SS*.EExtended strand (participates in β ladder)trans-103.1136.3-179.5-53.7-164.5-179.6-169.9-0.2110.5V923 K924 I925V923-R931 HydrophobicContact CG1-CB 3.9Å; K924-R931 CarbonylContact O-C 3.56Å; K924-R931 WeakPolarHBondContact O-CA 3.37Å; I925-R931 HydrophobicContact CD1-CG 4.36Å; I925-R931 HydrophobicContact CG1-CG 4.04Å; I925-R931 HydrophobicContact CG2-CG 4.25Å
932Y71.8Confident66.7Low89 Ų89104.4 Ų104.435%0.34951%0.51SS..EExtended strand (participates in β ladder)trans-138.6153.1172.271.8-76.7000110.4V923 K924 R926 T934V923-Y932 WeakPolarHBondContact CA-O 3.42Å; K924-Y932 HydrophobicContact CB-CD1 4.4Å; K924-Y932 HydrophobicContact CB-CE1 3.92Å; K924-Y932 PolarHBondContact N-O 2.84Å; K924-Y932 PolarHBondContact O-N 2.96Å; K924-Y932 VanDerWaalsContact O-O 3.13Å; R926-Y932 HydrophobicContact CG-CD1 3.98Å; R926-Y932 HydrophobicContact CG-CE1 3.71Å; Y932-T934 HydrophobicContact CD2-CG2 3.8Å; Y932-T934 HydrophobicContact CE2-CG2 3.47Å; Y932-T934 VanDerWaalsContact CE2-CG2 3.47Å
933I74.8Confident66.6Low103 Ų103102.4 Ų102.453%0.52851%0.505SS..EExtended strand (participates in β ladder)trans-107.4135.9-171.4-37.3-172.8000109.7W921 V923W921-I933 HydrophobicContact CB-CG2 3.87Å; W921-I933 HydrophobicContact CD2-CG2 4.45Å; W921-I933 HydrophobicContact CE3-CB 4.48Å; W921-I933 HydrophobicContact CE3-CG2 3.86Å; V923-I933 HydrophobicContact CG2-CD1 4.43Å; V923-I933 HydrophobicContact CG2-CG1 4.21Å; V923-I933 HydrophobicContact CG2-CG2 4.25Å
934T65.4Low66Low36 Ų36107.5 Ų107.522%0.22152%0.516CS..EExtended strand (participates in β ladder)trans-127133.1-179.157.50000111.2K922 Y932K922-T934 PolarHBondContact N-O 3.33Å; K922-T934 PolarHBondContact O-N 2.92Å; K922-T934 PolarHBondContact O-OG1 3.07Å; K922-T934 VanDerWaalsContact O-OG1 3.08Å; Y932-T934 HydrophobicContact CD2-CG2 3.8Å; Y932-T934 HydrophobicContact CE2-CG2 3.47Å; Y932-T934 VanDerWaalsContact CE2-CG2 3.47Å
935K67.2Low66.1Low88 Ų88107 Ų10738%0.38352%0.515SS..EExtended strand (participates in β ladder)trans-83.8127.7177-165-178.5171.1-1700108.8E916 M919 W921E916-K935 IonicContact OE1-NZ 3.6Å; E916-K935 IonicContact OE2-NZ 2.66Å; E916-K935 PolarHBondContact OE2-NZ 3.16Å; M919-K935 HydrophobicContact CB-CD 4.23Å; M919-K935 HydrophobicContact CB-CG 3.51Å; M919-K935 HydrophobicContact CG-CG 4.08Å; M919-K935 HydrophobicContact SD-CB 4.49Å; M919-K935 HydrophobicContact SD-CD 4.26Å; M919-K935 HydrophobicContact SD-CG 3.77Å; W921-K935 HydrophobicContact CD2-CB 4.29Å; W921-K935 HydrophobicContact CD2-CG 4.45Å; W921-K935 HydrophobicContact CE3-CB 3.86Å; W921-K935 HydrophobicContact CE3-CG 4.48Å; W921-K935 HydrophobicContact CH2-CB 4.04Å; W921-K935 HydrophobicContact CH2-CD 4.18Å; W921-K935 HydrophobicContact CH2-CG 4.36Å; W921-K935 HydrophobicContact CZ2-CB 4.42Å; W921-K935 HydrophobicContact CZ2-CD 4.05Å; W921-K935 HydrophobicContact CZ2-CG 4.29Å; W921-K935 HydrophobicContact CZ3-CB 3.74Å; W921-K935 HydrophobicContact CZ3-CG 4.46Å
936R65.4Low65.5Low152 Ų152111 Ų11157%0.57452%0.524SS*.EExtended strand (participates in β ladder)trans-137.3144.8179.2-77.5-171.7167-146.9-8.4112.9M919 E920M919-R936 CarbonylContact C-O 3.35Å; M919-R936 WeakPolarHBondContact CA-O 3.21Å; M919-R936 VanDerWaalsContact CB-O 3.3Å; M919-R936 WeakPolarHBondContact CB-O 3.35Å; M919-R936 VanDerWaalsContact SD-C 3.57Å; E920-R936 PolarHBondContact N-O 3.1Å; E920-R936 PolarHBondContact O-N 3.48Å
937P65.3Low65.4Low77 Ų77108.2 Ų108.250%0.553%0.526SS..EExtended strand (participates in β ladder)trans-68.5140.7178.4-15.429000113.1M919 R939M919-P937 HydrophobicContact CE-CG 3.97Å; M919-P937 HydrophobicContact SD-CG 3.97Å; P937-R939 PolarHBondContact O-N 3.38Å
938V61.9Low65.8Low34 Ų34106.7 Ų106.721%0.20651%0.506CS..  trans-82.935.3-174.1-171.10000112.9R918 E920 R941R918-V938 WeakPolarHBondContact O-CG2 3.33Å; R918-V938 PolarHBondContact O-N 3.35Å; R918-V938 VanDerWaalsContact O-N 3.13Å; E920-V938 HydrophobicContact CB-CG2 3.72Å; V938-R941 HydrophobicContact CG1-CB 3.84Å; V938-R941 HydrophobicContact CG1-CG 4.45Å
939R64.8Low65.7Low184 Ų184107.4 Ų107.469%0.69450%0.504SS*.Hα-helixtrans-66.9-47.8-173.5-176.3172.3175.6161.8-2.5113P937 R941 L942 L943P937-R939 PolarHBondContact O-N 3.38Å; R939-R941 VanDerWaalsContact C-N 3.29Å; R939-R941 PolarHBondContact O-N 3.01Å; R939-L942 PolarHBondContact O-N 3.42Å; R939-L943 HydrophobicContact CG-CD1 3.94Å; R939-L943 HydrophobicContact CG-CG 4.5Å; R939-L943 WeakPolarHBondContact O-CG 3.18Å; R939-L943 PolarHBondContact O-N 3.22Å; R939-L943 VanDerWaalsContact O-N 3.08Å
940D56.6Low66.1Low114 Ų114108.1 Ų108.161%0.6150%0.496SS*.Hα-helixtrans-67.9-29.6-172.9-60-10.5000112.9R944D940-R944 WeakPolarHBondContact O-CG 3.4Å; D940-R944 PolarHBondContact O-N 3.23Å
941R65.3Low66Low145 Ų145113.4 Ų113.455%0.54751%0.508SS..Hα-helixtrans-68.2-48.5176.5-179.6175.4174.7158.93.3111.1V938 R939 L943 R944 E945V938-R941 HydrophobicContact CG1-CB 3.84Å; V938-R941 HydrophobicContact CG1-CG 4.45Å; R939-R941 VanDerWaalsContact C-N 3.29Å; R939-R941 PolarHBondContact O-N 3.01Å; R941-L943 VanDerWaalsContact C-N 3.29Å; R941-L943 PolarHBondContact O-N 3.08Å; R941-R944 PolarHBondContact O-N 3.09Å; R941-R944 VanDerWaalsContact O-N 3.13Å; R941-E945 WeakPolarHBondContact CG-OE1 3.4Å; R941-E945 IonicContact CZ-OE1 3.97Å; R941-E945 IonicContact NE-OE1 3.7Å; R941-E945 PolarHBondContact NE-OE1 3.45Å; R941-E945 IonicContact NH2-OE1 3.52Å; R941-E945 PolarHBondContact NH2-OE1 3.24Å; R941-E945 WeakPolarHBondContact O-CG 3.38Å; R941-E945 PolarHBondContact O-N 3.14Å
942L66.7Low65.1Low112 Ų112111.1 Ų111.159%0.58651%0.506SS*.Hα-helixtrans-61.5-37.5176.4-69168.2000111.9R939 R946R939-L942 PolarHBondContact O-N 3.42Å; L942-R946 WeakPolarHBondContact O-CB 3.38Å; L942-R946 PolarHBondContact O-N 3.03Å
943L65.3Low64.7Low93 Ų93112.5 Ų112.549%0.48752%0.515SS..Hα-helixtrans-66.2-38.4174.3-70.4172.4000112.4R939 R941 A947R939-L943 HydrophobicContact CG-CD1 3.94Å; R939-L943 HydrophobicContact CG-CG 4.5Å; R939-L943 WeakPolarHBondContact O-CG 3.18Å; R939-L943 PolarHBondContact O-N 3.22Å; R939-L943 VanDerWaalsContact O-N 3.08Å; R941-L943 VanDerWaalsContact C-N 3.29Å; R941-L943 PolarHBondContact O-N 3.08Å; L943-A947 VanDerWaalsContact O-CB 3.3Å; L943-A947 WeakPolarHBondContact O-CB 3.29Å; L943-A947 PolarHBondContact O-N 3.06Å
944R63.8Low63.8Low184 Ų184117 Ų11769%0.69453%0.526SS*.Hα-helixtrans-70.4-42.9175.2-74.6174.9-177.5-175.20.3112.8D940 R941 R946 A947 L948D940-R944 WeakPolarHBondContact O-CG 3.4Å; D940-R944 PolarHBondContact O-N 3.23Å; R941-R944 PolarHBondContact O-N 3.09Å; R941-R944 VanDerWaalsContact O-N 3.13Å; R944-R946 VanDerWaalsContact C-N 3.33Å; R944-R946 PolarHBondContact O-N 2.89Å; R944-A947 PolarHBondContact O-N 3.45Å; R944-L948 WeakPolarHBondContact O-CB 3.31Å; R944-L948 WeakPolarHBondContact O-CG 3.28Å; R944-L948 PolarHBondContact O-N 2.71Å
945E65.3Low62.8Low87 Ų87120 Ų12041%0.40755%0.548SS..Hα-helixtrans-61.1-42.4175-74.1166.517800110.4R941 L948 K949R941-E945 WeakPolarHBondContact CG-OE1 3.4Å; R941-E945 IonicContact CZ-OE1 3.97Å; R941-E945 IonicContact NE-OE1 3.7Å; R941-E945 PolarHBondContact NE-OE1 3.45Å; R941-E945 IonicContact NH2-OE1 3.52Å; R941-E945 PolarHBondContact NH2-OE1 3.24Å; R941-E945 WeakPolarHBondContact O-CG 3.38Å; R941-E945 PolarHBondContact O-N 3.14Å; E945-L948 PolarHBondContact O-N 3.42Å; E945-K949 PolarHBondContact O-N 3.25Å
946R63.8Low62Low178 Ų178119.1 Ų119.167%0.67257%0.565SS**Hα-helixtrans-64.9-40.9173.4-166178.6-172.3-167.72.6113.1L942 R944 K949 I950L942-R946 WeakPolarHBondContact O-CB 3.38Å; L942-R946 PolarHBondContact O-N 3.03Å; R944-R946 VanDerWaalsContact C-N 3.33Å; R944-R946 PolarHBondContact O-N 2.89Å; R946-K949 PolarHBondContact O-N 3.02Å; R946-I950 HydrophobicContact CG-CD1 4.02Å; R946-I950 WeakPolarHBondContact O-CG1 3.49Å; R946-I950 PolarHBondContact O-N 3.39Å
947A64.4Low60.7Low56 Ų56119.6 Ų119.646%0.46358%0.575SS.*Hα-helixtrans-70.8-29.317900000113.5L943 R944 R951L943-A947 VanDerWaalsContact O-CB 3.3Å; L943-A947 WeakPolarHBondContact O-CB 3.29Å; L943-A947 PolarHBondContact O-N 3.06Å; R944-A947 PolarHBondContact O-N 3.45Å; A947-R951 PolarHBondContact O-N 3.2Å
948L62.9Low59.5Low105 Ų105121.8 Ų121.855%0.5559%0.587SS.*Hα-helixtrans-69.6-47.1169.5-78.1165.3000110.6R944 E945 I950 R951 E952R944-L948 WeakPolarHBondContact O-CB 3.31Å; R944-L948 WeakPolarHBondContact O-CG 3.28Å; R944-L948 PolarHBondContact O-N 2.71Å; E945-L948 PolarHBondContact O-N 3.42Å; L948-I950 PolarHBondContact O-N 2.87Å; L948-R951 WeakPolarHBondContact O-CA 3.37Å; L948-R951 VanDerWaalsContact O-CB 3.31Å; L948-R951 WeakPolarHBondContact O-CB 3.37Å; L948-R951 PolarHBondContact O-N 3.48Å; L948-E952 PolarHBondContact O-N 3.06Å
949K65.8Low58.8Low117 Ų117126 Ų12651%0.50961%0.613SS.*Hα-helixtrans-62.3-41.6179.9-163.7178.3-176.8-1700113E945 R946 R951 E952 E953E945-K949 PolarHBondContact O-N 3.25Å; R946-K949 PolarHBondContact O-N 3.02Å; K949-R951 PolarHBondContact O-N 3.4Å; K949-E952 WeakPolarHBondContact O-CB 3.27Å; K949-E952 PolarHBondContact O-N 3.35Å; K949-E952 VanDerWaalsContact O-N 3.17Å; K949-E953 WeakPolarHBondContact CD-OE1 3.29Å; K949-E953 WeakPolarHBondContact CE-OE1 3.49Å; K949-E953 HydrophobicContact CG-CG 4.3Å; K949-E953 WeakPolarHBondContact CG-OE1 3.42Å; K949-E953 IonicContact NZ-OE1 3.74Å; K949-E953 WeakPolarHBondContact O-CB 3.39Å; K949-E953 VanDerWaalsContact O-CG 3.28Å; K949-E953 WeakPolarHBondContact O-CG 3.34Å; K949-E953 PolarHBondContact O-N 3.27Å
950I69.6Low57.6Low64 Ų64123.4 Ų123.433%0.32861%0.613SS.*Hα-helixtrans-61.9-28.4174-69.9166.3000112.1R946 L948 R954R946-I950 HydrophobicContact CG-CD1 4.02Å; R946-I950 WeakPolarHBondContact O-CG1 3.49Å; R946-I950 PolarHBondContact O-N 3.39Å; L948-I950 PolarHBondContact O-N 2.87Å; I950-R954 WeakPolarHBondContact O-CB 3.36Å; I950-R954 WeakPolarHBondContact O-CD 3.48Å; I950-R954 WeakPolarHBondContact O-CG 3.35Å; I950-R954 PolarHBondContact O-N 3.47Å
951R59.8Low56.9Low177 Ų177124 Ų12467%0.66862%0.617SS**Hα-helixtrans-75.6-40.7175.4-170.1-171.4-56.2-173.40.6111.7A947 L948 K949 R954 S955A947-R951 PolarHBondContact O-N 3.2Å; L948-R951 WeakPolarHBondContact O-CA 3.37Å; L948-R951 VanDerWaalsContact O-CB 3.31Å; L948-R951 WeakPolarHBondContact O-CB 3.37Å; L948-R951 PolarHBondContact O-N 3.48Å; K949-R951 PolarHBondContact O-N 3.4Å; R951-R954 PolarHBondContact O-N 2.88Å; R951-S955 WeakPolarHBondContact O-CB 3.48Å; R951-S955 PolarHBondContact O-N 3.47Å; R951-S955 VanDerWaalsContact O-N 3.13Å
952E62.2Low55.9Low139 Ų139123.6 Ų123.665%0.6563%0.625SS**Hα-helixtrans-63.6-49.8175.2-171.7169.9-134.100110.7L948 K949 R954 S955L948-E952 PolarHBondContact O-N 3.06Å; K949-E952 WeakPolarHBondContact O-CB 3.27Å; K949-E952 PolarHBondContact O-N 3.35Å; K949-E952 VanDerWaalsContact O-N 3.17Å; E952-R954 PolarHBondContact O-N 3.18Å; E952-R954 VanDerWaalsContact O-N 3.16Å; E952-S955 PolarHBondContact O-N 3.28Å; E952-S955 PolarHBondContact O-OG 2.82Å
953E61.5Low54.9Low117 Ų117121.8 Ų121.855%0.54763%0.626SS.*Hα-helixtrans-57.2-28.3174.5-71.8165.9173.600113K949K949-E953 WeakPolarHBondContact CD-OE1 3.29Å; K949-E953 WeakPolarHBondContact CE-OE1 3.49Å; K949-E953 HydrophobicContact CG-CG 4.3Å; K949-E953 WeakPolarHBondContact CG-OE1 3.42Å; K949-E953 IonicContact NZ-OE1 3.74Å; K949-E953 WeakPolarHBondContact O-CB 3.39Å; K949-E953 VanDerWaalsContact O-CG 3.28Å; K949-E953 WeakPolarHBondContact O-CG 3.34Å; K949-E953 PolarHBondContact O-N 3.27Å
954R57.7Low53.9Low198 Ų198122.4 Ų122.475%0.74763%0.633SS**THydrogen-bonded Turntrans-93.3-4.6176.5-72175.9177.9-159.4-4114.9I950 R951 E952I950-R954 WeakPolarHBondContact O-CB 3.36Å; I950-R954 WeakPolarHBondContact O-CD 3.48Å; I950-R954 WeakPolarHBondContact O-CG 3.35Å; I950-R954 PolarHBondContact O-N 3.47Å; R951-R954 PolarHBondContact O-N 2.88Å; E952-R954 PolarHBondContact O-N 3.18Å; E952-R954 VanDerWaalsContact O-N 3.16Å
955S43.5Very low53Low98 Ų98118.9 Ų118.969%0.68564%0.637SS**THydrogen-bonded Turntrans-85.6-3.7-175.668.20000114.8R951 E952R951-S955 WeakPolarHBondContact O-CB 3.48Å; R951-S955 PolarHBondContact O-N 3.47Å; R951-S955 VanDerWaalsContact O-N 3.13Å; E952-S955 PolarHBondContact O-N 3.28Å; E952-S955 PolarHBondContact O-OG 2.82Å
956G49.5Very low52Low71 Ų71122.3 Ų122.373%0.73265%0.653SS**THydrogen-bonded Turntrans-117.510.1-173.700000116.4
957M38.5Very low51Low162 Ų162120.1 Ų120.180%0.79865%0.652SS**SBendtrans-108.2143.6174.7-67.8-172.870.900111.1
958T39.6Very low50Low123 Ų123126.5 Ų126.576%0.75567%0.67SS**  trans-74.3130.7-163.940.30000113.9D960T958-D960 VanDerWaalsContact C-N 3.29Å; T958-D960 PolarHBondContact O-N 2.95Å
959T49Very low48.8Very low122 Ų122130.8 Ų130.875%0.74869%0.689SS**THydrogen-bonded Turntrans-86.147-169.558.80000114.2
960D39.5Very low47.9Very low129 Ų129128.9 Ų128.969%0.6970%0.702SS**THydrogen-bonded Turntrans-122.5-31.7-173.3-127.716000114T958 D962 A963T958-D960 VanDerWaalsContact C-N 3.29Å; T958-D960 PolarHBondContact O-N 2.95Å; D960-D962 PolarHBondContact O-N 3.29Å; D960-A963 WeakPolarHBondContact O-CB 3.27Å; D960-A963 PolarHBondContact O-N 2.75Å
961D41.3Very low47Very low128 Ų128135.9 Ų135.968%0.68473%0.725SS**THydrogen-bonded Turntrans-66.1-34.2-179.4-89.5-38.5000113.8A963 V964D961-A963 PolarHBondContact O-N 2.98Å; D961-V964 PolarHBondContact O-N 3.24Å
962D43.4Very low46.3Very low136 Ų136138.9 Ų138.973%0.72774%0.738SS**Hα-helixtrans-56.9-24.7178.4-73.6-15.1000112.2D960 V964D960-D962 PolarHBondContact O-N 3.29Å; D962-V964 VanDerWaalsContact C-N 3.29Å; D962-V964 PolarHBondContact O-N 3.19Å
963A46.2Very low46.3Very low73 Ų73136.7 Ų136.760%0.60372%0.724SS**Hα-helixtrans-74-16.5179.300000114D960 D961D960-A963 WeakPolarHBondContact O-CB 3.27Å; D960-A963 PolarHBondContact O-N 2.75Å; D961-A963 PolarHBondContact O-N 2.98Å
964V44.4Very low46.9Very low106 Ų106133.7 Ų133.764%0.64272%0.716SS**Hα-helixtrans-96.9-33-179.6-173.20000111.2D961 D962 E966 M967D961-V964 PolarHBondContact O-N 3.24Å; D962-V964 VanDerWaalsContact C-N 3.29Å; D962-V964 PolarHBondContact O-N 3.19Å; V964-E966 PolarHBondContact O-N 3.44Å; V964-M967 WeakPolarHBondContact O-CB 3.05Å; V964-M967 PolarHBondContact O-N 2.9Å
965S44.6Very low47.1Very low111 Ų111132.6 Ų132.678%0.77672%0.716SS**Hα-helixtrans-76.9-16-171.4-165.30000115.5M967S965-M967 VanDerWaalsContact C-N 3.32Å
966E45.5Very low48.2Very low158 Ų158132.2 Ų132.274%0.73870%0.704SS**THydrogen-bonded Turntrans-84-4.1172.9-69.6-172.2163.800112.9V964 K968V964-E966 PolarHBondContact O-N 3.44Å; E966-K968 PolarHBondContact O-N 2.87Å
967M42Very low49.2Very low133 Ų133132.4 Ų132.466%0.65569%0.686SS**  trans-80.682.7-175.8-157.9169.6-161.500112.3V964 S965 M969V964-M967 WeakPolarHBondContact O-CB 3.05Å; V964-M967 PolarHBondContact O-N 2.9Å; S965-M967 VanDerWaalsContact C-N 3.32Å; M967-M969 PolarHBondContact O-N 2.81Å
968K43.7Very low50.6Low190 Ų190131.2 Ų131.283%0.82667%0.672SS**  trans-48.2100.4-178.1-160.5173.9-171.2176.60112.7E966 G970E966-K968 PolarHBondContact O-N 2.87Å; K968-G970 PolarHBondContact O-N 2.82Å
969M37.7Very low52.1Low194 Ų194131.2 Ų131.296%0.95666%0.662SS**THydrogen-bonded Turntrans-60.7125.2174.8-72.8179.6158.400110.4M967M967-M969 PolarHBondContact O-N 2.81Å
970G47.2Very low53Low77 Ų77130.7 Ų130.779%0.79465%0.651SS**THydrogen-bonded Turntrans150.4-12.7171.900000117.7K968K968-G970 PolarHBondContact O-N 2.82Å
971R51.2Low54.3Low211 Ų211129.3 Ų129.380%0.79664%0.64SS**  trans-137.2143.6173-70.3-167.6178.5-144.91.7112.3W973R971-W973 PolarHBondContact O-N 3.22Å
972Y44.7Very low55.8Low241 Ų241128 Ų12895%0.94563%0.632SS**  trans-81.2102170.4-82.9-95.2000109.7
973W62.1Low57.2Low92 Ų92125.8 Ų125.835%0.34862%0.623SS.*  trans-75.3140.1173-60.399.1000111.2R971 E977 R978 H981R971-W973 PolarHBondContact O-N 3.22Å; W973-E977 HydrophobicContact CB-CB 4.38Å; W973-E977 HydrophobicContact CE3-CB 3.99Å; W973-E977 HydrophobicContact CE3-CG 4.34Å; W973-R978 HydrophobicContact CB-CG 3.81Å; W973-R978 VanDerWaalsContact O-CZ 3.24Å; W973-R978 PolarHBondContact O-NE 3.5Å; W973-R978 PolarHBondContact O-NH2 3.46Å; W973-H981 AromaticContact CH2-NE2 3.98Å; W973-H981 AromaticContact CZ3-NE2 3.91Å
974S73.6Confident58.2Low54 Ų54128.9 Ų128.938%0.37862%0.623SS.*  trans-62.5169171.169.70000112.3E976 E977 R978S974-E976 VanDerWaalsContact C-N 3.27Å; S974-E976 PolarHBondContact O-N 2.86Å; S974-E977 WeakPolarHBondContact CA-OE2 3.27Å; S974-E977 WeakPolarHBondContact CB-OE2 3.33Å; S974-E977 PolarHBondContact N-OE2 3.46Å; S974-E977 WeakPolarHBondContact OG-CB 3.35Å; S974-E977 VanDerWaalsContact OG-CD 3.3Å; S974-E977 VanDerWaalsContact OG-CG 3.27Å; S974-E977 WeakPolarHBondContact OG-CG 3.44Å; S974-E977 PolarHBondContact OG-N 3.01Å; S974-E977 VanDerWaalsContact OG-N 3.15Å; S974-E977 PolarHBondContact OG-OE2 3.44Å; S974-R978 WeakPolarHBondContact O-CB 3.48Å; S974-R978 WeakPolarHBondContact O-CG 3.39Å; S974-R978 PolarHBondContact O-N 3.3Å; S974-R978 VanDerWaalsContact O-N 3.11Å; S974-R978 PolarHBondContact O-NE 3.22Å
975K61.4Low59.4Low176 Ų176126.7 Ų126.777%0.76562%0.616SS**Hα-helixtrans-60.7-38.3176.7-168.6175.4-178.2178.20111.5K979K975-K979 WeakPolarHBondContact O-CB 3.4Å; K975-K979 PolarHBondContact O-N 3.2Å
976E67.7Low60.9Low89 Ų89128.1 Ų128.142%0.41661%0.609SS.*Hα-helixtrans-81.5-36.8-176.1-126.654.6-153.700112.4S974 K979 Q980S974-E976 VanDerWaalsContact C-N 3.27Å; S974-E976 PolarHBondContact O-N 2.86Å; E976-K979 WeakPolarHBondContact O-CB 3.44Å; E976-K979 PolarHBondContact O-N 2.91Å; E976-K979 WeakPolarHBondContact OE1-CD 3.28Å; E976-K979 WeakPolarHBondContact OE1-CE 3.48Å; E976-K979 IonicContact OE1-NZ 3.54Å; E976-K979 PolarHBondContact OE1-NZ 2.87Å; E976-Q980 WeakPolarHBondContact O-CG 3.27Å; E976-Q980 PolarHBondContact O-N 3.38Å
977E69.8Low62.1Low76 Ų76125 Ų12536%0.35559%0.594SS.*Hα-helixtrans-62.6-45.2170.5-70.4161.7121.900111.2W973 S974 K979 Q980 H981W973-E977 HydrophobicContact CB-CB 4.38Å; W973-E977 HydrophobicContact CE3-CB 3.99Å; W973-E977 HydrophobicContact CE3-CG 4.34Å; S974-E977 WeakPolarHBondContact CA-OE2 3.27Å; S974-E977 WeakPolarHBondContact CB-OE2 3.33Å; S974-E977 PolarHBondContact N-OE2 3.46Å; S974-E977 WeakPolarHBondContact OG-CB 3.35Å; S974-E977 VanDerWaalsContact OG-CD 3.3Å; S974-E977 VanDerWaalsContact OG-CG 3.27Å; S974-E977 WeakPolarHBondContact OG-CG 3.44Å; S974-E977 PolarHBondContact OG-N 3.01Å; S974-E977 VanDerWaalsContact OG-N 3.15Å; S974-E977 PolarHBondContact OG-OE2 3.44Å; E977-K979 VanDerWaalsContact C-N 3.26Å; E977-K979 PolarHBondContact O-N 3.36Å; E977-Q980 PolarHBondContact O-N 2.9Å; E977-Q980 VanDerWaalsContact O-N 3.1Å; E977-H981 PolarHBondContact O-CD2 3.48Å; E977-H981 VanDerWaalsContact O-CD2 3.32Å; E977-H981 PolarHBondContact O-N 3.42Å
978R68Low63.1Low136 Ų136123.4 Ų123.451%0.51359%0.585SS.*Hα-helixtrans-56.1-42174.7-79.4-179.2-102.5170.5-8.2111.8W973 S974 L982W973-R978 HydrophobicContact CB-CG 3.81Å; W973-R978 VanDerWaalsContact O-CZ 3.24Å; W973-R978 PolarHBondContact O-NE 3.5Å; W973-R978 PolarHBondContact O-NH2 3.46Å; S974-R978 WeakPolarHBondContact O-CB 3.48Å; S974-R978 WeakPolarHBondContact O-CG 3.39Å; S974-R978 PolarHBondContact O-N 3.3Å; S974-R978 VanDerWaalsContact O-N 3.11Å; S974-R978 PolarHBondContact O-NE 3.22Å; R978-L982 WeakPolarHBondContact O-CB 3.27Å; R978-L982 PolarHBondContact O-N 2.93Å
979K71.7Confident64.3Low123 Ų123121.4 Ų121.454%0.53557%0.572SS.*Hα-helixtrans-64-44175.4-174.2-172.7-179.3-177.90111.7K975 E976 E977 L982 V983K975-K979 WeakPolarHBondContact O-CB 3.4Å; K975-K979 PolarHBondContact O-N 3.2Å; E976-K979 WeakPolarHBondContact O-CB 3.44Å; E976-K979 PolarHBondContact O-N 2.91Å; E976-K979 WeakPolarHBondContact OE1-CD 3.28Å; E976-K979 WeakPolarHBondContact OE1-CE 3.48Å; E976-K979 IonicContact OE1-NZ 3.54Å; E976-K979 PolarHBondContact OE1-NZ 2.87Å; E977-K979 VanDerWaalsContact C-N 3.26Å; E977-K979 PolarHBondContact O-N 3.36Å; K979-L982 PolarHBondContact O-N 3.39Å; K979-V983 WeakPolarHBondContact O-CG2 3.25Å; K979-V983 PolarHBondContact O-N 3.19Å
980Q66.8Low65.9Low112 Ų112121.2 Ų121.252%0.52356%0.561SS.*Hα-helixtrans-64.3-45175.8-71.8-175.829.100112.7E976 E977 L982 V983 K984E976-Q980 WeakPolarHBondContact O-CG 3.27Å; E976-Q980 PolarHBondContact O-N 3.38Å; E977-Q980 PolarHBondContact O-N 2.9Å; E977-Q980 VanDerWaalsContact O-N 3.1Å; Q980-L982 VanDerWaalsContact C-N 3.33Å; Q980-L982 PolarHBondContact O-N 2.89Å; Q980-V983 PolarHBondContact O-N 3.05Å; Q980-K984 WeakPolarHBondContact O-CG 3.37Å; Q980-K984 PolarHBondContact O-N 3.07Å
981H68Low66.7Low100 Ų100125.2 Ų125.246%0.46355%0.552SS.*Hα-helixtrans-60.1-42.1175.6-86.1-87.3000111.8W973 E977 V983 K984 A985W973-H981 AromaticContact CH2-NE2 3.98Å; W973-H981 AromaticContact CZ3-NE2 3.91Å; E977-H981 PolarHBondContact O-CD2 3.48Å; E977-H981 VanDerWaalsContact O-CD2 3.32Å; E977-H981 PolarHBondContact O-N 3.42Å; H981-V983 VanDerWaalsContact C-N 3.32Å; H981-V983 PolarHBondContact O-N 2.86Å; H981-K984 PolarHBondContact O-N 3.33Å; H981-A985 WeakPolarHBondContact O-CB 3.26Å; H981-A985 PolarHBondContact O-N 3.23Å
982L72.1Confident67.3Low99 Ų99122.1 Ų122.152%0.51854%0.54SS..Hα-helixtrans-66.2-33.7177-149.8166.3000111.8R978 K979 Q980 K986R978-L982 WeakPolarHBondContact O-CB 3.27Å; R978-L982 PolarHBondContact O-N 2.93Å; K979-L982 PolarHBondContact O-N 3.39Å; Q980-L982 VanDerWaalsContact C-N 3.33Å; Q980-L982 PolarHBondContact O-N 2.89Å; L982-K986 HydrophobicContact CD2-CD 3.81Å; L982-K986 VanDerWaalsContact CD2-CE 3.4Å; L982-K986 HydrophobicContact CD2-CG 4.27Å; L982-K986 WeakPolarHBondContact O-CB 3.44Å; L982-K986 WeakPolarHBondContact O-CG 3.19Å; L982-K986 PolarHBondContact O-N 3.24Å; L982-K986 VanDerWaalsContact O-N 3.09Å
983V72.8Confident68.6Low90 Ų90115.8 Ų115.855%0.54552%0.519SS..Hα-helixtrans-69.1-49171.1170.20000111.7K979 Q980 H981 A985 K986 E987K979-V983 WeakPolarHBondContact O-CG2 3.25Å; K979-V983 PolarHBondContact O-N 3.19Å; Q980-V983 PolarHBondContact O-N 3.05Å; H981-V983 VanDerWaalsContact C-N 3.32Å; H981-V983 PolarHBondContact O-N 2.86Å; V983-A985 VanDerWaalsContact C-N 3.33Å; V983-A985 PolarHBondContact O-N 3.37Å; V983-K986 PolarHBondContact O-N 3.03Å; V983-E987 PolarHBondContact O-N 3.13Å
984K66.8Low69.2Low138 Ų138118.9 Ų118.960%0.654%0.536SS*.Hα-helixtrans-57.2-44.1176.8-73.3-176.7178.8-175.90111.3Q980 H981 E987 Q988Q980-K984 WeakPolarHBondContact O-CG 3.37Å; Q980-K984 PolarHBondContact O-N 3.07Å; H981-K984 PolarHBondContact O-N 3.33Å; K984-E987 PolarHBondContact O-N 3.5Å; K984-Q988 WeakPolarHBondContact O-CB 3.45Å; K984-Q988 PolarHBondContact O-N 2.79Å
985A71Confident68.7Low60 Ų60122.2 Ų122.250%0.49655%0.547SS..Hα-helixtrans-63.7-42.617600000112.8H981 V983 E987 Q988 R989H981-A985 WeakPolarHBondContact O-CB 3.26Å; H981-A985 PolarHBondContact O-N 3.23Å; V983-A985 VanDerWaalsContact C-N 3.33Å; V983-A985 PolarHBondContact O-N 3.37Å; A985-E987 VanDerWaalsContact C-N 3.35Å; A985-E987 PolarHBondContact O-N 3.45Å; A985-Q988 PolarHBondContact O-N 3.45Å; A985-R989 WeakPolarHBondContact O-CB 3.24Å; A985-R989 PolarHBondContact O-N 2.96Å
986K74.4Confident68.9Low141 Ų141120.4 Ų120.461%0.61354%0.542SS*.Hα-helixtrans-61.7-40.8173.7-82.6174.2174173.30112.2L982 V983 R990L982-K986 HydrophobicContact CD2-CD 3.81Å; L982-K986 VanDerWaalsContact CD2-CE 3.4Å; L982-K986 HydrophobicContact CD2-CG 4.27Å; L982-K986 WeakPolarHBondContact O-CB 3.44Å; L982-K986 WeakPolarHBondContact O-CG 3.19Å; L982-K986 PolarHBondContact O-N 3.24Å; L982-K986 VanDerWaalsContact O-N 3.09Å; V983-K986 PolarHBondContact O-N 3.03Å; K986-R990 PolarHBondContact O-N 3.34Å
987E72.1Confident68.7Low92 Ų92120.8 Ų120.843%0.4354%0.544SS..Hα-helixtrans-68.9-43.2176.8-158.3-164.5146.800111.7V983 K984 A985 R989 R990 R991V983-E987 PolarHBondContact O-N 3.13Å; K984-E987 PolarHBondContact O-N 3.5Å; A985-E987 VanDerWaalsContact C-N 3.35Å; A985-E987 PolarHBondContact O-N 3.45Å; E987-R989 VanDerWaalsContact C-N 3.31Å; E987-R989 PolarHBondContact O-N 2.81Å; E987-R990 CarbonylContact O-C 3.54Å; E987-R990 WeakPolarHBondContact O-CA 3.42Å; E987-R990 WeakPolarHBondContact O-CB 3.29Å; E987-R990 PolarHBondContact O-N 2.76Å; E987-R991 WeakPolarHBondContact O-CG 3.23Å; E987-R991 PolarHBondContact O-N 3.41Å; E987-R991 IonicContact OE1-CZ 3.3Å; E987-R991 IonicContact OE1-NE 2.7Å; E987-R991 PolarHBondContact OE1-NE 2.86Å; E987-R991 IonicContact OE1-NH2 2.74Å; E987-R991 PolarHBondContact OE1-NH2 3.31Å
988Q62.3Low68.4Low100 Ų100120.5 Ų120.547%0.46755%0.551SS.*Hα-helixtrans-62.7-38.6177.5-154.9-16849.500111.4K984 A985 R991 R992K984-Q988 WeakPolarHBondContact O-CB 3.45Å; K984-Q988 PolarHBondContact O-N 2.79Å; A985-Q988 PolarHBondContact O-N 3.45Å; Q988-R991 PolarHBondContact O-N 3.4Å; Q988-R992 WeakPolarHBondContact O-CG 3.34Å; Q988-R992 PolarHBondContact O-N 2.75Å
989R68.4Low68.2Low149 Ų149123.1 Ų123.156%0.56256%0.56SS**Hα-helixtrans-57.9-50.4168.7-179.3179.2-72.9-170.1-2.9110.8A985 E987 R991 R992 E993A985-R989 WeakPolarHBondContact O-CB 3.24Å; A985-R989 PolarHBondContact O-N 2.96Å; E987-R989 VanDerWaalsContact C-N 3.31Å; E987-R989 PolarHBondContact O-N 2.81Å; R989-R991 VanDerWaalsContact C-N 3.32Å; R989-R991 PolarHBondContact O-N 3.44Å; R989-R992 PolarHBondContact O-N 3.16Å; R989-R992 VanDerWaalsContact O-N 3.12Å; R989-E993 WeakPolarHBondContact CD-OE1 2.95Å; R989-E993 HydrophobicContact CG-CG 4.31Å; R989-E993 VanDerWaalsContact CG-OE1 3.25Å; R989-E993 WeakPolarHBondContact CG-OE1 3.38Å; R989-E993 WeakPolarHBondContact O-CB 3.41Å; R989-E993 WeakPolarHBondContact O-CG 3.32Å; R989-E993 PolarHBondContact O-N 3.25Å
990R72.9Confident67.7Low189 Ų189121.7 Ų121.771%0.71356%0.558SS**Hα-helixtrans-57.6-39.9177.2-125-177.7-177.9-158.20.7113.2K986 E987 F994K986-R990 PolarHBondContact O-N 3.34Å; E987-R990 CarbonylContact O-C 3.54Å; E987-R990 WeakPolarHBondContact O-CA 3.42Å; E987-R990 WeakPolarHBondContact O-CB 3.29Å; E987-R990 PolarHBondContact O-N 2.76Å; R990-F994 VanDerWaalsContact O-CB 3.29Å; R990-F994 WeakPolarHBondContact O-CB 3.25Å; R990-F994 PolarHBondContact O-N 2.82Å
991R62.8Low67.3Low162 Ų162119.5 Ų119.561%0.61155%0.55SS**Hα-helixtrans-66.9-41.3175.6-68.3179.3-175.6-161.45.5111.6E987 Q988 R989 M995E987-R991 WeakPolarHBondContact O-CG 3.23Å; E987-R991 PolarHBondContact O-N 3.41Å; E987-R991 IonicContact OE1-CZ 3.3Å; E987-R991 IonicContact OE1-NE 2.7Å; E987-R991 PolarHBondContact OE1-NE 2.86Å; E987-R991 IonicContact OE1-NH2 2.74Å; E987-R991 PolarHBondContact OE1-NH2 3.31Å; Q988-R991 PolarHBondContact O-N 3.4Å; R989-R991 VanDerWaalsContact C-N 3.32Å; R989-R991 PolarHBondContact O-N 3.44Å; R991-M995 PolarHBondContact O-N 2.81Å; R991-M995 VanDerWaalsContact O-N 3.07Å
992R64.6Low66.6Low146 Ų146118.6 Ų118.655%0.55155%0.554SS**Hα-helixtrans-64.6-45.9174.3-70.3177.4-170.1-173.49.4111.4Q988 R989 M995 M996Q988-R992 WeakPolarHBondContact O-CG 3.34Å; Q988-R992 PolarHBondContact O-N 2.75Å; R989-R992 PolarHBondContact O-N 3.16Å; R989-R992 VanDerWaalsContact O-N 3.12Å; R992-M995 PolarHBondContact O-N 3.46Å; R992-M996 WeakPolarHBondContact O-CB 3.37Å; R992-M996 PolarHBondContact O-N 3.19Å
993E70.9Confident65.6Low107 Ų107118.7 Ų118.750%0.556%0.555SS.*Hα-helixtrans-58.7-47.6174.8-73.4167.4176.900111.5R989 M995 M996 Q997R989-E993 WeakPolarHBondContact CD-OE1 2.95Å; R989-E993 HydrophobicContact CG-CG 4.31Å; R989-E993 VanDerWaalsContact CG-OE1 3.25Å; R989-E993 WeakPolarHBondContact CG-OE1 3.38Å; R989-E993 WeakPolarHBondContact O-CB 3.41Å; R989-E993 WeakPolarHBondContact O-CG 3.32Å; R989-E993 PolarHBondContact O-N 3.25Å; E993-M995 PolarHBondContact O-N 2.79Å; E993-M996 PolarHBondContact O-N 2.85Å; E993-M996 VanDerWaalsContact O-N 3.12Å; E993-Q997 WeakPolarHBondContact O-CB 3.38Å; E993-Q997 PolarHBondContact O-N 3.39Å
994F74.9Confident64.5Low158 Ų158120.9 Ų120.969%0.69356%0.557SS**Hα-helixtrans-60.8-42.8177.9-177-98000112.7R990 Q997 S998R990-F994 VanDerWaalsContact O-CB 3.29Å; R990-F994 WeakPolarHBondContact O-CB 3.25Å; R990-F994 PolarHBondContact O-N 2.82Å; F994-Q997 PolarHBondContact O-N 3.26Å; F994-S998 VanDerWaalsContact O-CB 3.28Å; F994-S998 WeakPolarHBondContact O-CB 3.42Å; F994-S998 PolarHBondContact O-N 3.46Å
995M62.9Low63.7Low123 Ų123121 Ų12161%0.60656%0.559SS**Hα-helixtrans-63.2-39.7172.4-88.7-155.1-73.900112.6R991 R992 E993 R999R991-M995 PolarHBondContact O-N 2.81Å; R991-M995 VanDerWaalsContact O-N 3.07Å; R992-M995 PolarHBondContact O-N 3.46Å; E993-M995 PolarHBondContact O-N 2.79Å; M995-R999 VanDerWaalsContact O-CG 3.29Å; M995-R999 WeakPolarHBondContact O-CG 3.35Å; M995-R999 PolarHBondContact O-N 2.92Å; M995-R999 VanDerWaalsContact O-N 3.07Å
996M66.3Low62.5Low138 Ų138125.2 Ų125.268%0.6857%0.569SS**Hα-helixtrans-67.2-43.4179-160.3173-159.600111.3R992 E993 R999 L1000R992-M996 WeakPolarHBondContact O-CB 3.37Å; R992-M996 PolarHBondContact O-N 3.19Å; E993-M996 PolarHBondContact O-N 2.85Å; E993-M996 VanDerWaalsContact O-N 3.12Å; M996-R999 PolarHBondContact O-N 2.84Å; M996-L1000 WeakPolarHBondContact O-CG 3.43Å; M996-L1000 PolarHBondContact O-N 3.27Å
997Q63.6Low61Low98 Ų98126 Ų12646%0.45858%0.575SS.*Hα-helixtrans-61.1-48.8175-170.662.141.300111.3E993 F994 R999 L1000 D1001E993-Q997 WeakPolarHBondContact O-CB 3.38Å; E993-Q997 PolarHBondContact O-N 3.39Å; F994-Q997 PolarHBondContact O-N 3.26Å; Q997-R999 VanDerWaalsContact C-N 3.3Å; Q997-R999 PolarHBondContact O-N 2.91Å; Q997-L1000 WeakPolarHBondContact O-CB 3.28Å; Q997-L1000 PolarHBondContact O-N 3.03Å; Q997-D1001 PolarHBondContact NE2-OD2 3.5Å; Q997-D1001 PolarHBondContact O-N 2.91Å
998S62.1Low59.5Low69 Ų69125.1 Ų125.148%0.48358%0.583SS.*Hα-helixtrans-57.2-40.2176.3-178.90000112.7F994 C1002F994-S998 VanDerWaalsContact O-CB 3.28Å; F994-S998 WeakPolarHBondContact O-CB 3.42Å; F994-S998 PolarHBondContact O-N 3.46Å; S998-C1002 VanDerWaalsContact O-CB 3.29Å; S998-C1002 WeakPolarHBondContact O-CB 3.25Å; S998-C1002 PolarHBondContact O-N 3.44Å
999R64.2Low58.5Low191 Ų191124 Ų12472%0.72159%0.591SS**Hα-helixtrans-68.3-35.2175-70.3174.574.9178.37.1112.8M995 M996 Q997 L1003M995-R999 VanDerWaalsContact O-CG 3.29Å; M995-R999 WeakPolarHBondContact O-CG 3.35Å; M995-R999 PolarHBondContact O-N 2.92Å; M995-R999 VanDerWaalsContact O-N 3.07Å; M996-R999 PolarHBondContact O-N 2.84Å; Q997-R999 VanDerWaalsContact C-N 3.3Å; Q997-R999 PolarHBondContact O-N 2.91Å; R999-L1003 WeakPolarHBondContact O-CD1 3.28Å; R999-L1003 WeakPolarHBondContact O-CG 3.48Å; R999-L1003 PolarHBondContact O-N 3.18Å
1000L62.3Low57.4Low94 Ų94124.5 Ų124.549%0.49261%0.605SS.*Hα-helixtrans-71.5-39.7175.3-71.7170.7000112.3M996 Q997 L1003 K1004M996-L1000 WeakPolarHBondContact O-CG 3.43Å; M996-L1000 PolarHBondContact O-N 3.27Å; Q997-L1000 WeakPolarHBondContact O-CB 3.28Å; Q997-L1000 PolarHBondContact O-N 3.03Å; L1000-L1003 PolarHBondContact O-N 3.42Å; L1000-K1004 PolarHBondContact O-N 2.86Å
1001D58.2Low56.2Low66 Ų66122.8 Ų122.835%0.35361%0.61SS.*Hα-helixtrans-73.7-32.2179.4-69.6-38.3000112.1Q997 K1004 E1005Q997-D1001 PolarHBondContact NE2-OD2 3.5Å; Q997-D1001 PolarHBondContact O-N 2.91Å; D1001-K1004 PolarHBondContact O-N 3.38Å; D1001-E1005 PolarHBondContact O-N 3.04Å
1002C53.6Low55Low81 Ų81125.4 Ų125.455%0.54762%0.62SS.*Hα-helixtrans-60.2-42.5167.5-174.40000112.1S998 E1005 Q1006S998-C1002 VanDerWaalsContact O-CB 3.29Å; S998-C1002 WeakPolarHBondContact O-CB 3.25Å; S998-C1002 PolarHBondContact O-N 3.44Å; C1002-E1005 PolarHBondContact O-N 3.48Å; C1002-Q1006 PolarHBondContact O-N 3.33Å; C1002-Q1006 VanDerWaalsContact O-N 3.17Å
1003L51.3Low54.3Low100 Ų100127.1 Ų127.152%0.52463%0.631SS.*Hα-helixtrans-67-37.1174-71.1166.2000112.1R999 L1000 Q1006 Q1007R999-L1003 WeakPolarHBondContact O-CD1 3.28Å; R999-L1003 WeakPolarHBondContact O-CG 3.48Å; R999-L1003 PolarHBondContact O-N 3.18Å; L1000-L1003 PolarHBondContact O-N 3.42Å; L1003-Q1006 PolarHBondContact O-N 3.47Å; L1003-Q1007 WeakPolarHBondContact O-CB 3.28Å; L1003-Q1007 PolarHBondContact O-N 3.39Å
1004K48.8Very low53.3Low137 Ų137130 Ų13060%0.59664%0.644SS**Hα-helixtrans-63.9-45.1173.3-92.2177.1175.8170.40113L1000 D1001 Q1006 Q1007 A1008L1000-K1004 PolarHBondContact O-N 2.86Å; D1001-K1004 PolarHBondContact O-N 3.38Å; K1004-Q1006 PolarHBondContact O-N 3.18Å; K1004-Q1007 PolarHBondContact O-N 3.35Å; K1004-A1008 VanDerWaalsContact O-CB 3.29Å; K1004-A1008 WeakPolarHBondContact O-CB 3.36Å; K1004-A1008 PolarHBondContact O-N 3.08Å
1005E50.8Low51.7Low139 Ų139127.1 Ų127.165%0.6563%0.634SS**Hα-helixtrans-58.1-39.4174-90.3-144.6122.100111.2D1001 C1002 Q1007D1001-E1005 PolarHBondContact O-N 3.04Å; C1002-E1005 PolarHBondContact O-N 3.48Å; E1005-Q1007 VanDerWaalsContact C-N 3.34Å
1006Q45.4Very low51.5Low150 Ų150125.7 Ų125.770%0.70163%0.629SS**Hα-helixtrans-72.6-26.3-179.6-162.816235.500113.3C1002 L1003 K1004C1002-Q1006 PolarHBondContact O-N 3.33Å; C1002-Q1006 VanDerWaalsContact O-N 3.17Å; L1003-Q1006 PolarHBondContact O-N 3.47Å; K1004-Q1006 PolarHBondContact O-N 3.18Å
1007Q41.7Very low50.9Low158 Ų158125.8 Ų125.874%0.73863%0.631SS**Hα-helixtrans-94.5-23-180-159.1163.38.300113.4L1003 K1004 E1005 A1009L1003-Q1007 WeakPolarHBondContact O-CB 3.28Å; L1003-Q1007 PolarHBondContact O-N 3.39Å; K1004-Q1007 PolarHBondContact O-N 3.35Å; E1005-Q1007 VanDerWaalsContact C-N 3.34Å; Q1007-A1009 PolarHBondContact O-N 2.83Å
1008A41.2Very low50.4Low73 Ų73127.3 Ų127.360%0.60364%0.642SS**THydrogen-bonded Turntrans-780.5172.500000114K1004K1004-A1008 VanDerWaalsContact O-CB 3.29Å; K1004-A1008 WeakPolarHBondContact O-CB 3.36Å; K1004-A1008 PolarHBondContact O-N 3.08Å
1009A41.9Very low49.7Very low76 Ų76128.9 Ų128.963%0.62864%0.641SS**THydrogen-bonded Turntrans-85.8-23.2-174.300000114.9Q1007Q1007-A1009 PolarHBondContact O-N 2.83Å
1010D45.1Very low49.1Very low159 Ų159124.5 Ų124.585%0.8563%0.632SS**SBendtrans-84.2-25.5-176.5-95.4-27.5000113.7
1011D46.7Very low48.5Very low154 Ų154123.3 Ų123.382%0.82463%0.631SS**SBendtrans-10620.4-164.2-95.4-33.3000115.6
1012R38.7Very low48Very low217 Ų217125.2 Ų125.282%0.81964%0.638SS**  trans-128.8107.7172.8-73.7-163.2177.7-1620.8114.5
1013K49.6Very low48Very low182 Ų182127.1 Ų127.179%0.79164%0.637SS**  trans-63.8128.2173.8-171.2176-179.1-1790112
1014E50.8Low47.9Very low166 Ų166130.5 Ų130.578%0.77665%0.647SS**  trans50.277.7160.3-67.4163.7-129.900117.2
1015M41.7Very low47.6Very low98 Ų98129.3 Ų129.348%0.48365%0.645SS.*  trans-75.8148.2162.3-82.8-170.9129.300112.6
1016N56.8Low47.2Very low94 Ų94127 Ų12750%0.50364%0.636SS.*  trans-74.2145.1-172.2-169.7-40.8000112.5L1018 E1019 L1020N1016-L1018 PolarHBondContact O-N 3.13Å; N1016-L1018 VanDerWaalsContact O-N 3.15Å; N1016-L1018 PolarHBondContact OD1-N 2.76Å; N1016-E1019 PolarHBondContact O-N 3.34Å; N1016-L1020 PolarHBondContact O-N 3.3Å
1017I54.8Low47.4Very low140 Ų140126.3 Ų126.372%0.71863%0.63SS**Hα-helixtrans-53.3-33.9176.8-62.9174.6000112.2L1020 S1021I1017-L1020 PolarHBondContact O-N 2.85Å; I1017-S1021 PolarHBondContact O-N 2.78Å
1018L52.5Low47.7Very low129 Ų129127.2 Ų127.268%0.67563%0.632SS**Hα-helixtrans-65-45.6176.5-75.1163.3000112.2N1016 S1021 H1022N1016-L1018 PolarHBondContact O-N 3.13Å; N1016-L1018 VanDerWaalsContact O-N 3.15Å; N1016-L1018 PolarHBondContact OD1-N 2.76Å; L1018-S1021 PolarHBondContact O-N 2.81Å; L1018-S1021 PolarHBondContact O-OG 3.42Å; L1018-H1022 PolarHBondContact O-N 2.9Å
1019E48.5Very low47.7Very low102 Ų102133 Ų13348%0.47764%0.638SS.*Hα-helixtrans-64.9-40.8175.2-66.2-174.710400111.4N1016 S1021 H1022 K1023N1016-E1019 PolarHBondContact O-N 3.34Å; E1019-S1021 PolarHBondContact O-N 3.48Å; E1019-H1022 PolarHBondContact O-N 2.84Å; E1019-K1023 WeakPolarHBondContact O-CB 3.4Å; E1019-K1023 PolarHBondContact O-N 2.99Å
1020L50.1Low47.5Very low100 Ų100135.1 Ų135.152%0.52464%0.639SS.*Hα-helixtrans-57.3-38.1174.7-74.8168.7000111.6N1016 I1017 K1024N1016-L1020 PolarHBondContact O-N 3.3Å; I1017-L1020 PolarHBondContact O-N 2.85Å; L1020-K1024 WeakPolarHBondContact O-CB 3.06Å; L1020-K1024 PolarHBondContact O-N 3.03Å
1021S49.5Very low47.5Very low69 Ų69133.5 Ų133.548%0.48362%0.624SS.*Hα-helixtrans-65.5-46.1176.781.30000112.5I1017 L1018 E1019 K1024 M1025I1017-S1021 PolarHBondContact O-N 2.78Å; L1018-S1021 PolarHBondContact O-N 2.81Å; L1018-S1021 PolarHBondContact O-OG 3.42Å; E1019-S1021 PolarHBondContact O-N 3.48Å; S1021-K1024 WeakPolarHBondContact O-CB 3.38Å; S1021-K1024 PolarHBondContact O-N 2.99Å; S1021-M1025 PolarHBondContact O-N 3.4Å
1022H47.9Very low47.3Very low106 Ų106135.4 Ų135.449%0.49163%0.625SS.*Hα-helixtrans-66.2-41.2179.5-166-107000111.6L1018 E1019 K1024 M1025 M1026L1018-H1022 PolarHBondContact O-N 2.9Å; E1019-H1022 PolarHBondContact O-N 2.84Å; H1022-K1024 VanDerWaalsContact C-N 3.34Å; H1022-K1024 PolarHBondContact O-N 2.86Å; H1022-M1025 VanDerWaalsContact CD2-CE 3.44Å; H1022-M1025 WeakPolarHBondContact CD2-CE 3.36Å; H1022-M1025 WeakPolarHBondContact O-CB 3.33Å; H1022-M1025 PolarHBondContact O-N 3.46Å; H1022-M1026 PolarHBondContact O-N 3.5Å
1023K53.2Low47.5Very low120 Ų120131.1 Ų131.152%0.52262%0.617SS.*Hα-helixtrans-67.4-32.2176.3-150.1165.6-172.4174.80111.9E1019 K1027E1019-K1023 WeakPolarHBondContact O-CB 3.4Å; E1019-K1023 PolarHBondContact O-N 2.99Å; K1023-K1027 WeakPolarHBondContact O-CB 3.4Å; K1023-K1027 PolarHBondContact O-N 3.01Å
1024K50.4Low46.9Very low172 Ų172131.2 Ų131.275%0.74862%0.618SS**Hα-helixtrans-66.2-43.7170.5-129.9173.1-176.4175.80111.9L1020 S1021 H1022 K1027 K1028L1020-K1024 WeakPolarHBondContact O-CB 3.06Å; L1020-K1024 PolarHBondContact O-N 3.03Å; S1021-K1024 WeakPolarHBondContact O-CB 3.38Å; S1021-K1024 PolarHBondContact O-N 2.99Å; H1022-K1024 VanDerWaalsContact C-N 3.34Å; H1022-K1024 PolarHBondContact O-N 2.86Å; K1024-K1027 PolarHBondContact O-N 3.02Å; K1024-K1028 WeakPolarHBondContact O-CB 3.45Å; K1024-K1028 PolarHBondContact O-N 3.07Å
1025M42.3Very low46.2Very low112 Ų112128 Ų12855%0.55261%0.606SS**Hα-helixtrans-60.6-48.5178.3179.6172.359.400111.5S1021 H1022 K1028 R1029S1021-M1025 PolarHBondContact O-N 3.4Å; H1022-M1025 VanDerWaalsContact CD2-CE 3.44Å; H1022-M1025 WeakPolarHBondContact CD2-CE 3.36Å; H1022-M1025 WeakPolarHBondContact O-CB 3.33Å; H1022-M1025 PolarHBondContact O-N 3.46Å; M1025-K1028 PolarHBondContact O-N 2.65Å; M1025-R1029 PolarHBondContact O-N 2.84Å
1026M42.3Very low46.1Very low90 Ų90130.5 Ų130.544%0.44362%0.622SS.*Hα-helixtrans-68.2-40.2178.7-66.3-58.8-179.600112.7H1022 K1028 R1029 N1030H1022-M1026 PolarHBondContact O-N 3.5Å; M1026-K1028 VanDerWaalsContact C-N 3.27Å; M1026-K1028 PolarHBondContact O-N 3.36Å; M1026-R1029 PolarHBondContact O-N 3.38Å; M1026-R1029 VanDerWaalsContact O-N 3.07Å; M1026-N1030 PolarHBondContact O-N 2.98Å; M1026-N1030 VanDerWaalsContact O-N 3.13Å
1027K49.1Very low44.9Very low136 Ų136138.2 Ų138.259%0.59164%0.644SS**Hα-helixtrans-62.7-30.8172.1-84.8-166.2170.8-174.70112.9K1023 K1024 R1029 N1030 K1031K1023-K1027 WeakPolarHBondContact O-CB 3.4Å; K1023-K1027 PolarHBondContact O-N 3.01Å; K1024-K1027 PolarHBondContact O-N 3.02Å; K1027-R1029 VanDerWaalsContact C-N 3.29Å; K1027-R1029 PolarHBondContact O-N 3.49Å; K1027-N1030 PolarHBondContact O-N 2.88Å; K1027-K1031 WeakPolarHBondContact O-CB 3.42Å; K1027-K1031 PolarHBondContact O-N 3.14Å
1028K47.9Very low44.3Very low177 Ų177137.6 Ų137.677%0.7764%0.639SS**Hα-helixtrans-70.4-22.7174.1-160.5178.1-177.1-1740113.1K1024 M1025 M1026K1024-K1028 WeakPolarHBondContact O-CB 3.45Å; K1024-K1028 PolarHBondContact O-N 3.07Å; M1025-K1028 PolarHBondContact O-N 2.65Å; M1026-K1028 VanDerWaalsContact C-N 3.27Å; M1026-K1028 PolarHBondContact O-N 3.36Å
1029R41.8Very low44.1Very low194 Ų194135 Ų13573%0.73263%0.629SS**Hα-helixtrans-79.3-42.9172.7-143.6171.1-171.41661.2111.5M1025 M1026 K1027M1025-R1029 PolarHBondContact O-N 2.84Å; M1026-R1029 PolarHBondContact O-N 3.38Å; M1026-R1029 VanDerWaalsContact O-N 3.07Å; K1027-R1029 VanDerWaalsContact C-N 3.29Å; K1027-R1029 PolarHBondContact O-N 3.49Å
1030N38.3Very low43.6Very low120 Ų120136.8 Ų136.864%0.64264%0.64SS**Hα-helixtrans-84.3-21.1-177.1-719.5000115.2M1026 K1027 K1032M1026-N1030 PolarHBondContact O-N 2.98Å; M1026-N1030 VanDerWaalsContact O-N 3.13Å; K1027-N1030 PolarHBondContact O-N 2.88Å; N1030-K1032 PolarHBondContact O-N 2.77Å
1031K43.8Very low43Very low126 Ų126139.4 Ų139.455%0.54865%0.65SS.*G310 helixtrans-67.3-15.8174.2-101.9-170166.6-850114.2K1027 I1033 D1035K1027-K1031 WeakPolarHBondContact O-CB 3.42Å; K1027-K1031 PolarHBondContact O-N 3.14Å; K1031-I1033 PolarHBondContact O-N 3.48Å; K1031-I1033 VanDerWaalsContact O-N 3.08Å; K1031-D1035 WeakPolarHBondContact CD-OD2 3.37Å; K1031-D1035 WeakPolarHBondContact CE-OD2 3.36Å; K1031-D1035 WeakPolarHBondContact CG-OD2 3.41Å; K1031-D1035 IonicContact NZ-OD1 2.67Å; K1031-D1035 PolarHBondContact NZ-OD1 3.41Å; K1031-D1035 IonicContact NZ-OD2 3.15Å; K1031-D1035 PolarHBondContact NZ-OD2 3.41Å
1032K42.4Very low42.7Very low193 Ų193140.6 Ų140.684%0.83965%0.648SS**G310 helixtrans-67-3.8178.1-89.6-159.2168.6-161.10115.2N1030N1030-K1032 PolarHBondContact O-N 2.77Å
1033I43.8Very low42.6Very low128 Ų128141.3 Ų141.366%0.65666%0.655SS**G310 helixtrans-112.3-16.6-171.9-56.4178.4000112.7K1031K1031-I1033 PolarHBondContact O-N 3.48Å; K1031-I1033 VanDerWaalsContact O-N 3.08Å
1034F36.4Very low42Very low183 Ų183142.6 Ų142.680%0.80367%0.666SS**THydrogen-bonded Turntrans-136.50.2-171.3-81.4-72.8000117.4
1035D37.3Very low41.6Very low98 Ų98138.9 Ų138.952%0.52466%0.658SS.*  trans-104.684169.6-59.5-60.8000111.1K1031K1031-D1035 WeakPolarHBondContact CD-OD2 3.37Å; K1031-D1035 WeakPolarHBondContact CE-OD2 3.36Å; K1031-D1035 WeakPolarHBondContact CG-OD2 3.41Å; K1031-D1035 IonicContact NZ-OD1 2.67Å; K1031-D1035 PolarHBondContact NZ-OD1 3.41Å; K1031-D1035 IonicContact NZ-OD2 3.15Å; K1031-D1035 PolarHBondContact NZ-OD2 3.41Å
1036N37.9Very low41.5Very low152 Ų152140.4 Ų140.481%0.81366%0.664SS**  trans-148.146.8168.4-158.238.6000114.1
1037W32.6Very low41.4Very low255 Ų255139.8 Ų139.897%0.96668%0.681SS**  trans-11993.4166.4-78.973.4000108.7
1038M42.5Very low40.9Very low127 Ų127139.9 Ų139.963%0.62669%0.692SS**  trans-81.7138.2168.8-169.479.473.700108.3E1042M1038-E1042 HydrophobicContact CG-CB 4.05Å; M1038-E1042 HydrophobicContact SD-CB 3.98Å
1039T47Very low40.3Very low76 Ų76141.1 Ų141.147%0.46670%0.698SS.*  trans-74.7147.7174.769.30000110.9Q1041 E1042 L1043T1039-Q1041 PolarHBondContact O-N 2.81Å; T1039-Q1041 VanDerWaalsContact O-N 3.12Å; T1039-E1042 WeakPolarHBondContact CB-OE2 3.36Å; T1039-E1042 WeakPolarHBondContact CG2-OE2 3.26Å; T1039-E1042 PolarHBondContact N-OE2 2.83Å; T1039-E1042 PolarHBondContact O-N 3.35Å; T1039-E1042 VanDerWaalsContact OG1-CD 3.25Å; T1039-E1042 WeakPolarHBondContact OG1-CG 3.44Å; T1039-E1042 PolarHBondContact OG1-OE2 2.88Å; T1039-L1043 PolarHBondContact O-N 3.38Å; T1039-L1043 VanDerWaalsContact O-N 3.07Å
1040I39.6Very low40.1Very low138 Ų138135.2 Ų135.271%0.70869%0.686SS**Hα-helixtrans-56.1-33.4-178.7-61.4172.8000111.2L1043 L1044I1040-L1043 PolarHBondContact O-N 3.41Å; I1040-L1044 HydrophobicContact CG2-CD1 4.14Å; I1040-L1044 WeakPolarHBondContact O-CG 3.47Å; I1040-L1044 PolarHBondContact O-N 2.75Å
1041Q35.9Very low40.4Very low156 Ų156135.8 Ų135.873%0.72970%0.696SS**Hα-helixtrans-71-32.3178.1-169.1170.3-8.800113.3T1039 T1045T1039-Q1041 PolarHBondContact O-N 2.81Å; T1039-Q1041 VanDerWaalsContact O-N 3.12Å; Q1041-T1045 PolarHBondContact O-OG1 2.84Å
1042E44.9Very low40.5Very low94 Ų94136.8 Ų136.844%0.43971%0.708SS.*Hα-helixtrans-75.7-33.4173.9-68.9163.7128.500112M1038 T1039 L1044 T1045 H1046M1038-E1042 HydrophobicContact CG-CB 4.05Å; M1038-E1042 HydrophobicContact SD-CB 3.98Å; T1039-E1042 WeakPolarHBondContact CB-OE2 3.36Å; T1039-E1042 WeakPolarHBondContact CG2-OE2 3.26Å; T1039-E1042 PolarHBondContact N-OE2 2.83Å; T1039-E1042 PolarHBondContact O-N 3.35Å; T1039-E1042 VanDerWaalsContact OG1-CD 3.25Å; T1039-E1042 WeakPolarHBondContact OG1-CG 3.44Å; T1039-E1042 PolarHBondContact OG1-OE2 2.88Å; E1042-L1044 VanDerWaalsContact C-N 3.33Å; E1042-T1045 PolarHBondContact O-N 3.18Å; E1042-T1045 PolarHBondContact O-OG1 2.92Å; E1042-H1046 PolarHBondContact O-N 3.18Å
1043L44.1Very low40.4Very low121 Ų121130.7 Ų130.763%0.63470%0.7SS**Hα-helixtrans-65-36.8176.3-166.672000111.9T1039 I1040T1039-L1043 PolarHBondContact O-N 3.38Å; T1039-L1043 VanDerWaalsContact O-N 3.07Å; I1040-L1043 PolarHBondContact O-N 3.41Å
1044L41.6Very low40.2Very low146 Ų146129.6 Ų129.676%0.76470%0.699SS**Hα-helixtrans-76.7-22.8180-71.9167.9000113.9I1040 E1042I1040-L1044 HydrophobicContact CG2-CD1 4.14Å; I1040-L1044 WeakPolarHBondContact O-CG 3.47Å; I1040-L1044 PolarHBondContact O-N 2.75Å; E1042-L1044 VanDerWaalsContact C-N 3.33Å
1045T42.6Very low40.1Very low95 Ų95130.8 Ų130.858%0.58370%0.698SS**Hα-helixtrans-90.6-14.8-179.953.10000114.4Q1041 E1042Q1041-T1045 PolarHBondContact O-OG1 2.84Å; E1042-T1045 PolarHBondContact O-N 3.18Å; E1042-T1045 PolarHBondContact O-OG1 2.92Å
1046H39.1Very low39.8Very low144 Ų144132.4 Ų132.467%0.66771%0.711SS**SBendtrans-123.789.9-174-67.7-55.2000112.9E1042E1042-H1046 PolarHBondContact O-N 3.18Å
1047G39.7Very low39.4Very low77 Ų77134 Ų13479%0.79471%0.708SS**  trans-52.7141.7173.200000113.4K1049G1047-K1049 PolarHBondContact O-N 3.22Å
1048T38.7Very low39.6Very low137 Ų137128.2 Ų128.284%0.8470%0.695SS**  trans-58.5119.8-160.544.10000115.7
1049K35.3Very low39.1Very low204 Ų204124.6 Ų124.689%0.88768%0.682SS**  trans-144124.8159.4-68.6-169.6179.1179.90111.1G1047G1047-K1049 PolarHBondContact O-N 3.22Å
1050S37.7Very low38.3Very low70 Ų70125.3 Ų125.349%0.4968%0.679SS.*  trans-88.3160.5166.662.20000110.8D1052S1050-D1052 VanDerWaalsContact C-N 3.35Å; S1050-D1052 PolarHBondContact O-N 3.28Å
1051P44.5Very low37.9Very low131 Ų131123.6 Ų123.685%0.85167%0.671SS**THydrogen-bonded Turntrans-68.1-28.5179.2-22.435.2000114.8
1052D47.3Very low38.2Very low147 Ų147117 Ų11779%0.78664%0.642SS**THydrogen-bonded Turntrans-95.88.5-169.8-62.7-39.5000113.9S1050 T1054S1050-D1052 VanDerWaalsContact C-N 3.35Å; S1050-D1052 PolarHBondContact O-N 3.28Å; D1052-T1054 PolarHBondContact O-N 3.39Å
1053G40.6Very low37.8Very low65 Ų65113.5 Ų113.567%0.6763%0.627SS**  trans76.4-18167.600000117R1055G1053-R1055 PolarHBondContact O-N 3Å
1054T38.6Very low38Very low105 Ų105111.8 Ų111.864%0.64462%0.622SS**  trans-65.6121.5176.1-37.10000111D1052 V1056D1052-T1054 PolarHBondContact O-N 3.39Å; T1054-V1056 PolarHBondContact O-N 2.99Å
1055R34.1Very low37.9Very low209 Ų209107.8 Ų107.879%0.78960%0.603SS**  trans-71.6107.3170.9-74.5-177.4175.2-178.3-1.8109.8G1053 Y1057G1053-R1055 PolarHBondContact O-N 3Å; R1055-Y1057 PolarHBondContact O-N 3.21Å
1056V31.6Very low37.8Very low131 Ų131110.2 Ų110.279%0.79462%0.618SS**  trans-76.1113154.6-179.30000106.4T1054 N1058T1054-V1056 PolarHBondContact O-N 2.99Å; V1056-N1058 PolarHBondContact O-N 3.36Å
1057Y29Very low37.8Very low187 Ų187108.6 Ų108.673%0.73362%0.615SS**  trans-67.1128.3167.1-109.9-103.4000107.8R1055R1055-Y1057 PolarHBondContact O-N 3.21Å
1058N37.3Very low37.7Very low132 Ų132110.2 Ų110.271%0.70661%0.606SS**  trans-119.4113.6175.6-158.9-5.9000106.7V1056V1056-N1058 PolarHBondContact O-N 3.36Å
1059S30.9Very low37.6Very low51 Ų51108.7 Ų108.736%0.35759%0.593SS.*  trans-153128.7-170.7-67.30000109
1060F31.3Very low37.8Very low92 Ų92103.1 Ų103.140%0.40458%0.576SS.*  trans60.251.2165-43.5-54.7000118.6S427 Q428 E491S427-F1060 WeakPolarHBondContact O-CD1 3.35Å; S427-F1060 WeakPolarHBondContact O-CG 3.4Å; Q428-F1060 HydrophobicContact CB-CD1 4.46Å; Q428-F1060 HydrophobicContact CB-CE1 4.01Å; Q428-F1060 HydrophobicContact CG-CD1 4.49Å; Q428-F1060 HydrophobicContact CG-CE1 3.65Å; Q428-F1060 HydrophobicContact CG-CZ 3.91Å; E491-F1060 WeakPolarHBondContact OE1-CD2 3.37Å
1061L31.5Very low37.8Very low102 Ų102105.2 Ų105.253%0.53458%0.581SS.*  trans-99.5135.3158.8-67.7-179.7000113K430 T489K430-L1061 PolarHBondContact NZ-O 3.47Å; T489-L1061 HydrophobicContact CG2-CD2 3.4Å; T489-L1061 VanDerWaalsContact CG2-CD2 3.4Å
1062S41.3Very low37.3Very low16 Ų16103.5 Ų103.511%0.11256%0.563CS.*  trans-148.928.3166.878.30000112K430 G432K430-S1062 WeakPolarHBondContact CB-OG 3.49Å; K430-S1062 VanDerWaalsContact CD-CB 3.41Å; G432-S1062 PolarHBondContact N-OG 3.4Å
1063V37.9Very low36.6Very low22 Ų22100.4 Ų100.413%0.13355%0.547CS..  trans-105.192.5167.5-176.40000105V435 V485 L488 T489 T1065V435-V1063 HydrophobicContact CG2-CG1 4.34Å; V485-V1063 HydrophobicContact CG2-CG1 4.01Å; L488-V1063 HydrophobicContact CB-CG2 4.2Å; L488-V1063 HydrophobicContact CD1-CG2 4.48Å; T489-V1063 HydrophobicContact CG2-CG2 4.16Å; V1063-T1065 HydrophobicContact CG1-CG2 4.13Å
1064T47.9Very low36.3Very low85 Ų85103.1 Ų103.152%0.52154%0.538SS..  trans-70.8144.81669.30000108.2T434 V435T434-T1064 WeakPolarHBondContact CA-O 3.24Å; T434-T1064 VanDerWaalsContact CG2-O 3.29Å; T434-T1064 WeakPolarHBondContact CG2-O 3.35Å; T434-T1064 PolarHBondContact OG1-OG1 3.24Å; V435-T1064 PolarHBondContact N-O 3.09Å
1065T38.6Very low36.1Very low61 Ų61102.9 Ų102.937%0.37453%0.529SS..BIsolated β-bridgetrans-136.5122179.575.40000107.7R481 V485 V1063R481-T1065 PolarHBondContact NH2-OG1 3.07Å; V485-T1065 HydrophobicContact CG2-CG2 4Å; V1063-T1065 HydrophobicContact CG1-CG2 4.13Å
1066V41.8Very low36.3Very low147 Ų14793.3 Ų93.389%0.89151%0.505SS*.  trans-90.10-179.8-174.40000110.7T434 R481T434-V1066 HydrophobicContact CG2-CG2 4.22Å; R481-V1066 PolarHBondContact NH1-O 3.11Å; R481-V1066 PolarHBondContact NH2-O 3.02Å

Retrieved 1,066 of 1,066 residues in 262 ms (Link to these results)

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