A0A087XPE4_POEFO Loading...

U-box domain containing 5

AlphaFold DB , UniProt , Accession A0A087XPE4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 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
1M65.3Low82.8Confident64 Ų6428.2 Ų28.232%0.31516%0.162SC..  0160.30-167.3167.644.900110.4V3 F194 S196M1-V3 PolarHBondContact O-N 2.79Å; M1-F194 WeakPolarHBondContact O-CD1 3.3Å; M1-S196 CarbonylContact C-O 3.14Å; M1-S196 WeakPolarHBondContact CA-OG 3.47Å; M1-S196 PolarHBondContact N-OG 3.44Å
2V80Confident83.3Confident0 Ų026.7 Ų26.70%015%0.153CC..  trans-61.4132.9159.1-71.50000109.1F188 S196 P198 G246V2-F188 HydrophobicContact CG1-CE1 3.68Å; V2-F188 HydrophobicContact CG1-CZ 3.65Å; V2-S196 PolarHBondContact N-O 2.79Å; V2-P198 HydrophobicContact CG2-CB 3.59Å; V2-P198 HydrophobicContact CG2-CG 4.05Å; V2-P198 VanDerWaalsContact CG2-N 3.31Å; V2-G246 CarbonylContact C-O 3.58Å; V2-G246 WeakPolarHBondContact CA-O 3.22Å; V2-G246 WeakPolarHBondContact CB-O 3.28Å
3V86.1Confident84Confident0 Ų031.2 Ų31.20%018%0.182CC..EExtended strand (participates in β ladder)trans-89.5146.9-165.5-57.60000111.3M1 L5 F10 F194 W245 G246 Q264M1-V3 PolarHBondContact O-N 2.79Å; V3-L5 HydrophobicContact CG2-CD2 3.77Å; V3-L5 HydrophobicContact CG2-CG 4.13Å; V3-L5 PolarHBondContact O-N 3.49Å; V3-F10 HydrophobicContact CB-CE1 4.38Å; V3-F10 HydrophobicContact CB-CE2 3.73Å; V3-F10 HydrophobicContact CB-CZ 3.57Å; V3-F10 HydrophobicContact CG1-CE1 4.45Å; V3-F10 HydrophobicContact CG1-CE2 4.45Å; V3-F10 HydrophobicContact CG1-CZ 3.81Å; V3-F10 HydrophobicContact CG2-CE1 4.4Å; V3-F10 HydrophobicContact CG2-CE2 4.11Å; V3-F10 HydrophobicContact CG2-CZ 3.99Å; V3-F194 HydrophobicContact CG1-CD1 3.9Å; V3-F194 HydrophobicContact CG1-CE1 3.99Å; V3-W245 WeakPolarHBondContact O-CA 3.46Å; V3-G246 PolarHBondContact N-O 2.92Å; V3-G246 PolarHBondContact O-N 2.84Å; V3-G246 VanDerWaalsContact O-N 3.1Å; V3-Q264 HydrophobicContact CG1-CB 4.32Å; V3-Q264 HydrophobicContact CG1-CG 4.05Å
4N89.8Confident84.7Confident25 Ų2530 Ų3013%0.13418%0.178CC..EExtended strand (participates in β ladder)trans-87.6102.7170.5-178.4-3.8000108.8C6 Q7 F10 V244 W245N4-C6 PolarHBondContact O-N 3.5Å; N4-C6 VanDerWaalsContact O-N 3.11Å; N4-C6 WeakPolarHBondContact OD1-CB 3.12Å; N4-C6 PolarHBondContact OD1-N 3.01Å; N4-C6 VanDerWaalsContact OD1-N 3.13Å; N4-Q7 HydrophobicContact CB-CG 4.09Å; N4-Q7 VanDerWaalsContact O-CB 3.27Å; N4-Q7 WeakPolarHBondContact O-CB 3.46Å; N4-Q7 VanDerWaalsContact O-CG 3.3Å; N4-Q7 WeakPolarHBondContact O-CG 3.22Å; N4-Q7 PolarHBondContact O-N 2.86Å; N4-Q7 PolarHBondContact O-OE1 3.33Å; N4-F10 WeakPolarHBondContact O-CD2 3.45Å; N4-F10 WeakPolarHBondContact O-CE2 3.32Å; N4-V244 CarbonylContact C-O 3.51Å; N4-V244 WeakPolarHBondContact CA-O 3.27Å; N4-V244 PolarHBondContact OD1-N 2.85Å; N4-W245 HydrophobicContact CB-CD2 4.37Å; N4-W245 HydrophobicContact CB-CE3 3.94Å; N4-W245 HydrophobicContact CB-CH2 3.94Å; N4-W245 HydrophobicContact CB-CZ2 4.37Å; N4-W245 HydrophobicContact CB-CZ3 3.72Å
5L88.7Confident85.4Confident0 Ų035.7 Ų35.70%020%0.202CC..THydrogen-bonded Turntrans-68.1-11.1-173.6-62.7157.1000113.2V3 T12 F57 F59 V61 V244V3-L5 HydrophobicContact CG2-CD2 3.77Å; V3-L5 HydrophobicContact CG2-CG 4.13Å; V3-L5 PolarHBondContact O-N 3.49Å; L5-T12 WeakPolarHBondContact O-CB 3.25Å; L5-T12 PolarHBondContact O-OG1 2.97Å; L5-F57 HydrophobicContact CB-CD1 4.05Å; L5-F57 HydrophobicContact CB-CE1 3.92Å; L5-F57 HydrophobicContact CD1-CE1 4.33Å; L5-F59 HydrophobicContact CD2-CE1 4.4Å; L5-F59 HydrophobicContact CD2-CE2 3.84Å; L5-F59 HydrophobicContact CD2-CZ 3.44Å; L5-F59 VanDerWaalsContact CD2-CZ 3.44Å; L5-V61 HydrophobicContact CD1-CB 4.18Å; L5-V61 HydrophobicContact CD1-CG1 3.43Å; L5-V61 VanDerWaalsContact CD1-CG1 3.43Å; L5-V61 HydrophobicContact CD1-CG2 3.62Å; L5-V61 HydrophobicContact CD2-CG2 3.81Å; L5-V61 HydrophobicContact CG-CG2 4.36Å; L5-V244 HydrophobicContact CB-CB 4.34Å; L5-V244 WeakPolarHBondContact CB-O 3.45Å; L5-V244 HydrophobicContact CD1-CG1 4Å; L5-V244 PolarHBondContact N-O 3.04Å
6C85.5Confident85.9Confident5 Ų534.3 Ų34.33%0.03419%0.194CC..THydrogen-bonded Turntrans-80-0.4168.9-59.70000113.2N4 V30 L242N4-C6 PolarHBondContact O-N 3.5Å; N4-C6 VanDerWaalsContact O-N 3.11Å; N4-C6 WeakPolarHBondContact OD1-CB 3.12Å; N4-C6 PolarHBondContact OD1-N 3.01Å; N4-C6 VanDerWaalsContact OD1-N 3.13Å; C6-V30 HydrophobicContact CB-CG1 4.4Å; C6-V30 WeakPolarHBondContact O-CA 3.25Å; C6-L242 PolarHBondContact SG-O 2.69Å
7Q85.6Confident86.4Confident40 Ų4036.2 Ų36.219%0.18720%0.204CC..SBendtrans-74.9140.9172.5-68.3174-57.800110.8N4 H9 F10N4-Q7 HydrophobicContact CB-CG 4.09Å; N4-Q7 VanDerWaalsContact O-CB 3.27Å; N4-Q7 WeakPolarHBondContact O-CB 3.46Å; N4-Q7 VanDerWaalsContact O-CG 3.3Å; N4-Q7 WeakPolarHBondContact O-CG 3.22Å; N4-Q7 PolarHBondContact O-N 2.86Å; N4-Q7 PolarHBondContact O-OE1 3.33Å; Q7-H9 PolarHBondContact O-N 3.06Å; Q7-H9 VanDerWaalsContact O-N 3.13Å; Q7-F10 HydrophobicContact CB-CD2 4.05Å; Q7-F10 HydrophobicContact CB-CE2 4.13Å; Q7-F10 PolarHBondContact O-N 2.94Å
8P80Confident86.7Confident56 Ų5637.2 Ų37.236%0.36421%0.206SC..G310 helixtrans-61.1-31.2-16828.5-41.8000113.6F10 S11 A32P8-F10 PolarHBondContact O-N 2.86Å; P8-S11 PolarHBondContact O-N 2.93Å; P8-S11 VanDerWaalsContact O-N 3.13Å; P8-A32 HydrophobicContact CB-CB 3.95Å; P8-A32 HydrophobicContact CG-CB 3.91Å
9H82.2Confident86.9Confident39 Ų3941.8 Ų41.818%0.18123%0.229CC..G310 helixtrans-72.6-9.1-175.453.2-105.3000113.9Q7 S11 N267Q7-H9 PolarHBondContact O-N 3.06Å; Q7-H9 VanDerWaalsContact O-N 3.13Å; H9-S11 VanDerWaalsContact C-N 3.33Å; H9-N267 PolarHBondContact CE1-OD1 3.2Å; H9-N267 PolarHBondContact ND1-OD1 3.3Å
10F83.9Confident87.1Confident0 Ų041.4 Ų41.40%023%0.229CC..G310 helixtrans-88.42.6171-60.6-55.5000113.9V3 N4 Q7 P8 T12 F59 I260V3-F10 HydrophobicContact CB-CE1 4.38Å; V3-F10 HydrophobicContact CB-CE2 3.73Å; V3-F10 HydrophobicContact CB-CZ 3.57Å; V3-F10 HydrophobicContact CG1-CE1 4.45Å; V3-F10 HydrophobicContact CG1-CE2 4.45Å; V3-F10 HydrophobicContact CG1-CZ 3.81Å; V3-F10 HydrophobicContact CG2-CE1 4.4Å; V3-F10 HydrophobicContact CG2-CE2 4.11Å; V3-F10 HydrophobicContact CG2-CZ 3.99Å; N4-F10 WeakPolarHBondContact O-CD2 3.45Å; N4-F10 WeakPolarHBondContact O-CE2 3.32Å; Q7-F10 HydrophobicContact CB-CD2 4.05Å; Q7-F10 HydrophobicContact CB-CE2 4.13Å; Q7-F10 PolarHBondContact O-N 2.94Å; P8-F10 PolarHBondContact O-N 2.86Å; F10-T12 PolarHBondContact O-N 3.41Å; F10-T12 VanDerWaalsContact O-N 3.17Å; F10-F59 HydrophobicContact CB-CE1 4.04Å; F10-F59 HydrophobicContact CB-CZ 4.48Å; F10-F59 AromaticContact CD1-CE1 3.97Å; F10-F59 HydrophobicContact CD1-CE1 3.97Å; F10-F59 HydrophobicContact CD1-CZ 4.1Å; F10-F59 HydrophobicContact CG-CE1 4.33Å; F10-F59 HydrophobicContact CG-CZ 4.44Å; F10-I260 HydrophobicContact CD1-CG2 4.3Å; F10-I260 HydrophobicContact CE1-CG2 3.82Å
11S83.4Confident87.3Confident81 Ų8140 Ų4057%0.56622%0.223SC*.THydrogen-bonded Turntrans5824178.1-51.50000114.4P8 H9 T13P8-S11 PolarHBondContact O-N 2.93Å; P8-S11 VanDerWaalsContact O-N 3.13Å; H9-S11 VanDerWaalsContact C-N 3.33Å; S11-T13 PolarHBondContact O-N 2.83Å
12T89.4Confident88.5Confident10 Ų1044.1 Ų44.16%0.06125%0.246CC..  trans-68.9121.8175.9-58.60000109.9L5 F10 V30 L55 K56 F57L5-T12 WeakPolarHBondContact O-CB 3.25Å; L5-T12 PolarHBondContact O-OG1 2.97Å; F10-T12 PolarHBondContact O-N 3.41Å; F10-T12 VanDerWaalsContact O-N 3.17Å; T12-V30 HydrophobicContact CG2-CG1 4.3Å; T12-L55 HydrophobicContact CG2-CB 4.09Å; T12-L55 HydrophobicContact CG2-CD2 4.42Å; T12-K56 WeakPolarHBondContact CA-O 3.11Å; T12-F57 HydrophobicContact CG2-CD1 3.7Å; T12-F57 HydrophobicContact CG2-CE1 3.99Å
13T91.8Very high88.9Confident85 Ų8546.5 Ų46.552%0.52127%0.27SS..EExtended strand (participates in β ladder)trans-96.2145.4175.6530000110.2S11 L55 K56S11-T13 PolarHBondContact O-N 2.83Å; T13-L55 CarbonylContact O-C 3.53Å; T13-L55 VanDerWaalsContact O-CA 3.3Å; T13-L55 WeakPolarHBondContact O-CA 3.49Å; T13-K56 PolarHBondContact N-O 3.48Å; T13-K56 PolarHBondContact O-N 3.49Å
14A94.4Very high89.2Confident15 Ų1549.9 Ų49.912%0.12428%0.284CS..EExtended strand (participates in β ladder)trans-117.9138.2177.700000110.1V26 V30 L55A14-V26 HydrophobicContact CB-CG2 4.1Å; A14-V30 HydrophobicContact CB-CG1 4.19Å; A14-V30 HydrophobicContact CB-CG2 3.97Å; A14-L55 HydrophobicContact CB-CD2 3.6Å
15H94.3Very high89.4Confident116 Ų11651.5 Ų51.554%0.53729%0.293SS..EExtended strand (participates in β ladder)trans-137.5141.9-179.8170.273.2000110.2V53 T54H15-V53 CarbonylContact O-C 3.59Å; H15-V53 WeakPolarHBondContact O-CA 3.29Å; H15-T54 PolarHBondContact N-O 2.88Å; H15-T54 PolarHBondContact O-N 3.21Å
16C93.8Very high89.6Confident12 Ų1251.9 Ų51.98%0.08130%0.295CS..EExtended strand (participates in β ladder)trans-119.1143175.4-1800000110.5K18 V26 F41 L51 H52C16-K18 PolarHBondContact O-N 2.7Å; C16-K18 PolarHBondContact SG-N 3.24Å; C16-K18 VanDerWaalsContact SG-N 3.42Å; C16-K18 PolarHBondContact SG-O 3.38Å; C16-V26 HydrophobicContact CB-CB 3.94Å; C16-V26 HydrophobicContact CB-CG1 4.22Å; C16-V26 HydrophobicContact CB-CG2 3.91Å; C16-F41 HydrophobicContact CB-CE2 4.21Å; C16-F41 HydrophobicContact CB-CZ 4.11Å; C16-F41 VanDerWaalsContact SG-CZ 3.53Å; C16-L51 VanDerWaalsContact SG-CD1 3.56Å; C16-H52 WeakPolarHBondContact CA-O 3.46Å
17N93.9Very high90Very high68 Ų6855 Ų5536%0.36431%0.314SS..SBendtrans-73.30.7176.974.9-50.9000114.8P50 H52N17-P50 PolarHBondContact ND2-O 3.29Å; N17-H52 HydrophobicContact CB-CB 4.24Å; N17-H52 PolarHBondContact N-O 2.87Å; N17-H52 PolarHBondContact OD1-N 3.44Å; N17-H52 PolarHBondContact OD1-O 2.87Å
18K92.8Very high90.3Very high54 Ų5453.5 Ų53.524%0.23531%0.307CS..SBendtrans-150.1154.2-164.8-88.8174.8179.7167.70111.5C16 C20 L43 L47 R48 P50C16-K18 PolarHBondContact O-N 2.7Å; C16-K18 PolarHBondContact SG-N 3.24Å; C16-K18 VanDerWaalsContact SG-N 3.42Å; C16-K18 PolarHBondContact SG-O 3.38Å; K18-C20 PolarHBondContact O-N 2.71Å; K18-L43 HydrophobicContact CB-CD1 3.96Å; K18-L43 HydrophobicContact CB-CD2 3.6Å; K18-L43 HydrophobicContact CB-CG 4.48Å; K18-L43 HydrophobicContact CD-CD1 4.01Å; K18-L47 HydrophobicContact CB-CD1 4.26Å; K18-R48 PolarHBondContact NZ-O 3.01Å; K18-P50 PolarHBondContact NZ-O 2.98Å
19L89.4Confident90.9Very high124 Ų12451.2 Ų51.265%0.64929%0.291SS*.PPolyproline II helixtrans-64.4123.4-176.3-56.9175.1000111.8L43 E44 L47L19-L43 VanDerWaalsContact O-CD2 3.28Å; L19-L43 WeakPolarHBondContact O-CD2 3.27Å; L19-E44 PolarHBondContact O-N 3.08Å; L19-L47 HydrophobicContact CB-CD1 4.13Å; L19-L47 WeakPolarHBondContact O-CD1 3.47Å
20C92.5Very high91.3Very high34 Ų3450.1 Ų50.123%0.2329%0.288CS..BIsolated β-bridgetrans-67.2151.7171-51.50000110.5K18 D25 F41 K42K18-C20 PolarHBondContact O-N 2.71Å; C20-D25 HydrophobicContact CB-CB 4.47Å; C20-D25 PolarHBondContact SG-OD1 3.3Å; C20-F41 HydrophobicContact CB-CE2 4.43Å; C20-K42 CarbonylContact C-O 3.31Å; C20-K42 WeakPolarHBondContact CA-O 3.42Å
21A90.7Very high91.6Very high12 Ų1251.4 Ų51.410%0.09930%0.296CS..PPolyproline II helixtrans-77.6154.8167.500000110.8G23 Y24 K42 E44A21-G23 PolarHBondContact O-N 3.17Å; A21-Y24 HydrophobicContact CB-CD2 4.46Å; A21-Y24 PolarHBondContact O-N 3.12Å; A21-K42 PolarHBondContact N-O 3.1Å; A21-E44 WeakPolarHBondContact CA-OE1 3.28Å; A21-E44 HydrophobicContact CB-CG 4.35Å; A21-E44 VanDerWaalsContact CB-OE1 3.29Å; A21-E44 WeakPolarHBondContact CB-OE1 3.44Å
22D90.9Very high91.8Very high151 Ų15150.7 Ų50.781%0.80730%0.295SS*.THydrogen-bonded Turntrans-54124.1-176.3-74-30.4000112.6Y24D22-Y24 VanDerWaalsContact O-CD2 3.3Å; D22-Y24 WeakPolarHBondContact O-CD2 3.34Å; D22-Y24 PolarHBondContact O-N 3.28Å
23G88.6Confident91.7Very high49 Ų4953.1 Ų53.151%0.50531%0.308SS..THydrogen-bonded Turntrans76.7-7.1-176.300000115.9A21 N28 Q39A21-G23 PolarHBondContact O-N 3.17Å; G23-N28 PolarHBondContact O-ND2 3.02Å; G23-Q39 PolarHBondContact O-NE2 3.33Å; G23-Q39 VanDerWaalsContact O-NE2 3.08Å
24Y92.3Very high91.5Very high72 Ų7252.4 Ų52.428%0.28231%0.305SS..  trans-109.442.8-178.9-67.5-86.6000112.6A21 D22 Q39 F41 K42 W71A21-Y24 HydrophobicContact CB-CD2 4.46Å; A21-Y24 PolarHBondContact O-N 3.12Å; D22-Y24 VanDerWaalsContact O-CD2 3.3Å; D22-Y24 WeakPolarHBondContact O-CD2 3.34Å; D22-Y24 PolarHBondContact O-N 3.28Å; Y24-Q39 HydrophobicContact CD1-CG 3.71Å; Y24-Q39 WeakPolarHBondContact CD1-O 3.49Å; Y24-Q39 HydrophobicContact CE1-CG 3.47Å; Y24-Q39 VanDerWaalsContact CE1-CG 3.47Å; Y24-Q39 WeakPolarHBondContact CE1-O 3.3Å; Y24-F41 WeakPolarHBondContact O-CA 3.3Å; Y24-F41 WeakPolarHBondContact O-CD2 3.41Å; Y24-K42 HydrophobicContact CD1-CB 4Å; Y24-K42 HydrophobicContact CG-CB 3.8Å; Y24-K42 HydrophobicContact CG-CD 4.42Å; Y24-K42 PolarHBondContact O-N 3.2Å; Y24-W71 HydrophobicContact CD1-CZ2 4.13Å; Y24-W71 HydrophobicContact CE1-CH2 4.05Å; Y24-W71 AromaticContact CE1-CZ2 4Å; Y24-W71 HydrophobicContact CE1-CZ2 4Å
25D93.2Very high91.1Very high59 Ų5955.3 Ų55.332%0.31633%0.325SS..  trans-65154.6-178-176.946.8000113.5C20 T27 N28C20-D25 HydrophobicContact CB-CB 4.47Å; C20-D25 PolarHBondContact SG-OD1 3.3Å; D25-T27 PolarHBondContact O-N 3.26Å; D25-T27 VanDerWaalsContact OD2-CB 3.25Å; D25-T27 WeakPolarHBondContact OD2-CB 3.49Å; D25-T27 WeakPolarHBondContact OD2-CG2 3.43Å; D25-T27 PolarHBondContact OD2-N 3.37Å; D25-T27 PolarHBondContact OD2-OG1 3.31Å; D25-N28 WeakPolarHBondContact O-CB 3.36Å; D25-N28 PolarHBondContact O-N 3.48Å; D25-N28 VanDerWaalsContact O-N 3.07Å
26V93.4Very high90.9Very high8 Ų852.6 Ų52.65%0.04831%0.314CS..G310 helixtrans-63.2-27.2179.172.90000112.3A14 C16 N28 I29 F41 V53A14-V26 HydrophobicContact CB-CG2 4.1Å; C16-V26 HydrophobicContact CB-CB 3.94Å; C16-V26 HydrophobicContact CB-CG1 4.22Å; C16-V26 HydrophobicContact CB-CG2 3.91Å; V26-N28 PolarHBondContact O-N 3.09Å; V26-I29 HydrophobicContact CG2-CD1 4.32Å; V26-I29 PolarHBondContact O-N 2.91Å; V26-F41 HydrophobicContact CB-CD2 3.84Å; V26-F41 HydrophobicContact CB-CE2 4.12Å; V26-F41 HydrophobicContact CB-CG 4.35Å; V26-F41 HydrophobicContact CG2-CD2 4.27Å; V26-F41 HydrophobicContact CG2-CG 4.38Å; V26-V53 HydrophobicContact CG2-CG1 3.8Å; V26-V53 HydrophobicContact CG2-CG2 4.47Å
27T92.8Very high90.7Very high70 Ų7056.2 Ų56.243%0.42933%0.325SS..G310 helixtrans-65.3-22.4174.561.50000113.2D25 I29 V30 S31D25-T27 PolarHBondContact O-N 3.26Å; D25-T27 VanDerWaalsContact OD2-CB 3.25Å; D25-T27 WeakPolarHBondContact OD2-CB 3.49Å; D25-T27 WeakPolarHBondContact OD2-CG2 3.43Å; D25-T27 PolarHBondContact OD2-N 3.37Å; D25-T27 PolarHBondContact OD2-OG1 3.31Å; T27-I29 PolarHBondContact O-N 3.25Å; T27-I29 VanDerWaalsContact O-N 3.11Å; T27-V30 CarbonylContact O-C 3.37Å; T27-V30 WeakPolarHBondContact O-CG2 3.34Å; T27-V30 PolarHBondContact O-N 2.95Å; T27-S31 PolarHBondContact O-N 3.49Å
28N92.9Very high90.4Very high8 Ų860.8 Ų60.84%0.04334%0.342CS..G310 helixtrans-53.6-35.1176-74.2-6.2000112.3G23 D25 V26 V30 S31 L36 R37 G40G23-N28 PolarHBondContact O-ND2 3.02Å; D25-N28 WeakPolarHBondContact O-CB 3.36Å; D25-N28 PolarHBondContact O-N 3.48Å; D25-N28 VanDerWaalsContact O-N 3.07Å; V26-N28 PolarHBondContact O-N 3.09Å; N28-V30 VanDerWaalsContact C-N 3.27Å; N28-V30 PolarHBondContact O-N 3.39Å; N28-S31 WeakPolarHBondContact O-CB 3.4Å; N28-S31 PolarHBondContact O-N 3.41Å; N28-L36 HydrophobicContact CB-CB 4.48Å; N28-R37 WeakPolarHBondContact O-CA 3.34Å; N28-R37 WeakPolarHBondContact O-CG 3.19Å; N28-G40 WeakPolarHBondContact CB-O 3.46Å; N28-G40 PolarHBondContact ND2-O 3.17Å
29I91.9Very high90.3Very high8 Ų861.4 Ų61.44%0.04135%0.346CS..G310 helixtrans-58.5-38.2179.2-64.9172.1000112.2V26 T27 F41 V53 L239 L242V26-I29 HydrophobicContact CG2-CD1 4.32Å; V26-I29 PolarHBondContact O-N 2.91Å; T27-I29 PolarHBondContact O-N 3.25Å; T27-I29 VanDerWaalsContact O-N 3.11Å; I29-F41 HydrophobicContact CD1-CB 3.8Å; I29-F41 HydrophobicContact CD1-CD1 4.21Å; I29-F41 HydrophobicContact CD1-CG 4.24Å; I29-F41 HydrophobicContact CG1-CB 3.86Å; I29-V53 HydrophobicContact CD1-CG1 4.08Å; I29-L239 HydrophobicContact CD1-CB 4.32Å; I29-L239 HydrophobicContact CD1-CD1 4.16Å; I29-L242 HydrophobicContact CG2-CB 3.81Å; I29-L242 HydrophobicContact CG2-CD2 4.2Å; I29-L242 HydrophobicContact CG2-CG 4.34Å
30V91.9Very high90.4Very high17 Ų1755.6 Ų55.610%0.10332%0.316CS..G310 helixtrans-108.26.3-175.6-63.10000112.9C6 T12 A14 T27 N28 L55C6-V30 HydrophobicContact CB-CG1 4.4Å; C6-V30 WeakPolarHBondContact O-CA 3.25Å; T12-V30 HydrophobicContact CG2-CG1 4.3Å; A14-V30 HydrophobicContact CB-CG1 4.19Å; A14-V30 HydrophobicContact CB-CG2 3.97Å; T27-V30 CarbonylContact O-C 3.37Å; T27-V30 WeakPolarHBondContact O-CG2 3.34Å; T27-V30 PolarHBondContact O-N 2.95Å; N28-V30 VanDerWaalsContact C-N 3.27Å; N28-V30 PolarHBondContact O-N 3.39Å; V30-L55 HydrophobicContact CG1-CD2 4.17Å
31S89.2Confident90.5Very high26 Ų2654 Ų5418%0.18231%0.305CS..  trans-63.6147.1-174.4-176.10000112.5T27 N28 D33 R37T27-S31 PolarHBondContact O-N 3.49Å; N28-S31 WeakPolarHBondContact O-CB 3.4Å; N28-S31 PolarHBondContact O-N 3.41Å; S31-D33 PolarHBondContact OG-N 3.17Å; S31-R37 WeakPolarHBondContact O-CD 3.46Å; S31-R37 WeakPolarHBondContact O-CG 3.46Å; S31-R37 PolarHBondContact O-NE 3.41Å
32A87.2Confident90.5Very high66 Ų6656.5 Ų56.555%0.54531%0.313SS..SBendtrans-65.3-41.2174.700000112P8 P34 R37P8-A32 HydrophobicContact CB-CB 3.95Å; P8-A32 HydrophobicContact CG-CB 3.91Å; A32-P34 WeakPolarHBondContact O-CD 3.38Å; A32-R37 PolarHBondContact O-NH2 3.17Å
33D87.9Confident90.6Very high61 Ų6149.4 Ų49.433%0.32628%0.276SS..SBendtrans-64.1122.8179.1172.929.6000111.5S31 S35 L36 R37S31-D33 PolarHBondContact OG-N 3.17Å; D33-S35 VanDerWaalsContact CG-N 3.29Å; D33-S35 PolarHBondContact O-N 2.84Å; D33-S35 WeakPolarHBondContact OD1-CB 3.5Å; D33-S35 PolarHBondContact OD1-N 2.93Å; D33-S35 PolarHBondContact OD1-OG 3.49Å; D33-S35 WeakPolarHBondContact OD2-CB 3.5Å; D33-S35 PolarHBondContact OD2-N 2.93Å; D33-S35 PolarHBondContact OD2-OG 3.31Å; D33-L36 HydrophobicContact CB-CB 4.38Å; D33-L36 HydrophobicContact CB-CD1 4.32Å; D33-L36 HydrophobicContact CB-CG 4.39Å; D33-L36 WeakPolarHBondContact OD2-CG 3.4Å; D33-L36 PolarHBondContact OD2-N 2.77Å; D33-R37 PolarHBondContact O-N 3.23Å
34P86.6Confident90.6Very high71 Ų7149.4 Ų49.446%0.46126%0.263SS..Hα-helixtrans-59.9-23.8171.6-22.433.9000114A32 K38A32-P34 WeakPolarHBondContact O-CD 3.38Å; P34-K38 WeakPolarHBondContact O-CG 3.31Å; P34-K38 PolarHBondContact O-N 3.48Å
35S87.8Confident90.3Very high76 Ų7655.8 Ų55.853%0.53129%0.288SS..Hα-helixtrans-74.1-52.6-177.9-31.80000110.9D33 R37 K38 Q39D33-S35 VanDerWaalsContact CG-N 3.29Å; D33-S35 PolarHBondContact O-N 2.84Å; D33-S35 WeakPolarHBondContact OD1-CB 3.5Å; D33-S35 PolarHBondContact OD1-N 2.93Å; D33-S35 PolarHBondContact OD1-OG 3.49Å; D33-S35 WeakPolarHBondContact OD2-CB 3.5Å; D33-S35 PolarHBondContact OD2-N 2.93Å; D33-S35 PolarHBondContact OD2-OG 3.31Å; S35-R37 VanDerWaalsContact C-N 3.3Å; S35-R37 PolarHBondContact O-N 3.11Å; S35-K38 WeakPolarHBondContact O-CB 3.41Å; S35-K38 PolarHBondContact O-N 2.98Å; S35-Q39 PolarHBondContact O-N 3.5Å
36L89.8Confident89.8Confident59 Ų5958.5 Ų58.531%0.30930%0.297SS..Hα-helixtrans-56.4-41.7169.6-68.5174.7000112.1N28 D33 K38 Q39 G40N28-L36 HydrophobicContact CB-CB 4.48Å; D33-L36 HydrophobicContact CB-CB 4.38Å; D33-L36 HydrophobicContact CB-CD1 4.32Å; D33-L36 HydrophobicContact CB-CG 4.39Å; D33-L36 WeakPolarHBondContact OD2-CG 3.4Å; D33-L36 PolarHBondContact OD2-N 2.77Å; L36-K38 VanDerWaalsContact C-N 3.28Å; L36-K38 PolarHBondContact O-N 3.13Å; L36-Q39 WeakPolarHBondContact O-CB 3.44Å; L36-Q39 PolarHBondContact O-N 2.91Å; L36-Q39 VanDerWaalsContact O-N 3.11Å; L36-G40 PolarHBondContact O-N 3.13Å
37R89Confident89.5Confident87 Ų8759.9 Ų59.933%0.32830%0.304SS..Hα-helixtrans-63.8-26.9174.2-87.6-172.5-68.4131.60.3114.6N28 S31 A32 D33 S35N28-R37 WeakPolarHBondContact O-CA 3.34Å; N28-R37 WeakPolarHBondContact O-CG 3.19Å; S31-R37 WeakPolarHBondContact O-CD 3.46Å; S31-R37 WeakPolarHBondContact O-CG 3.46Å; S31-R37 PolarHBondContact O-NE 3.41Å; A32-R37 PolarHBondContact O-NH2 3.17Å; D33-R37 PolarHBondContact O-N 3.23Å; S35-R37 VanDerWaalsContact C-N 3.3Å; S35-R37 PolarHBondContact O-N 3.11Å
38K88.2Confident89.2Confident165 Ų16566.2 Ų66.272%0.71732%0.32SS*.Hα-helixtrans-80.4-29.4171.7-75.2167.4-178.6179.20112.5P34 S35 L36P34-K38 WeakPolarHBondContact O-CG 3.31Å; P34-K38 PolarHBondContact O-N 3.48Å; S35-K38 WeakPolarHBondContact O-CB 3.41Å; S35-K38 PolarHBondContact O-N 2.98Å; L36-K38 VanDerWaalsContact C-N 3.28Å; L36-K38 PolarHBondContact O-N 3.13Å
39Q90.1Very high88.9Confident67 Ų6767.9 Ų67.931%0.31333%0.331SS..Hα-helixtrans-71.6-34.8175.1-177.6168.6-3.700111.8G23 Y24 S35 L36 W71G23-Q39 PolarHBondContact O-NE2 3.33Å; G23-Q39 VanDerWaalsContact O-NE2 3.08Å; Y24-Q39 HydrophobicContact CD1-CG 3.71Å; Y24-Q39 WeakPolarHBondContact CD1-O 3.49Å; Y24-Q39 HydrophobicContact CE1-CG 3.47Å; Y24-Q39 VanDerWaalsContact CE1-CG 3.47Å; Y24-Q39 WeakPolarHBondContact CE1-O 3.3Å; S35-Q39 PolarHBondContact O-N 3.5Å; L36-Q39 WeakPolarHBondContact O-CB 3.44Å; L36-Q39 PolarHBondContact O-N 2.91Å; L36-Q39 VanDerWaalsContact O-N 3.11Å; Q39-W71 WeakPolarHBondContact O-CH2 3.27Å; Q39-W71 WeakPolarHBondContact O-CZ2 3.46Å
40G91.6Very high88.8Confident1 Ų170.2 Ų70.21%0.0135%0.347CS..  trans70-164.1174.100000113.7N28 L36 K240N28-G40 WeakPolarHBondContact CB-O 3.46Å; N28-G40 PolarHBondContact ND2-O 3.17Å; L36-G40 PolarHBondContact O-N 3.13Å; G40-K240 WeakPolarHBondContact CA-O 3.41Å
41F93.6Very high88.8Confident0 Ų069.5 Ų69.50%034%0.342CS..EExtended strand (participates in β ladder)trans-117.4140.7-173.6155.6-106.1000111.6C16 C20 Y24 V26 I29 L43 L51 V53 W71 G238 L239C16-F41 HydrophobicContact CB-CE2 4.21Å; C16-F41 HydrophobicContact CB-CZ 4.11Å; C16-F41 VanDerWaalsContact SG-CZ 3.53Å; C20-F41 HydrophobicContact CB-CE2 4.43Å; Y24-F41 WeakPolarHBondContact O-CA 3.3Å; Y24-F41 WeakPolarHBondContact O-CD2 3.41Å; V26-F41 HydrophobicContact CB-CD2 3.84Å; V26-F41 HydrophobicContact CB-CE2 4.12Å; V26-F41 HydrophobicContact CB-CG 4.35Å; V26-F41 HydrophobicContact CG2-CD2 4.27Å; V26-F41 HydrophobicContact CG2-CG 4.38Å; I29-F41 HydrophobicContact CD1-CB 3.8Å; I29-F41 HydrophobicContact CD1-CD1 4.21Å; I29-F41 HydrophobicContact CD1-CG 4.24Å; I29-F41 HydrophobicContact CG1-CB 3.86Å; F41-L43 HydrophobicContact CE2-CD2 4.01Å; F41-L43 HydrophobicContact CZ-CD2 3.66Å; F41-L43 HydrophobicContact CZ-CG 4.01Å; F41-L51 HydrophobicContact CE1-CD1 3.77Å; F41-L51 HydrophobicContact CE1-CD2 4.05Å; F41-L51 HydrophobicContact CZ-CD1 3.73Å; F41-V53 HydrophobicContact CD1-CG2 3.96Å; F41-V53 HydrophobicContact CE1-CG2 3.49Å; F41-V53 VanDerWaalsContact CE1-CG2 3.49Å; F41-V53 HydrophobicContact CZ-CG2 4.23Å; F41-W71 PolarHBondContact O-NE1 3.18Å; F41-G238 CarbonylContact O-C 3.55Å; F41-G238 VanDerWaalsContact O-CA 3.32Å; F41-G238 WeakPolarHBondContact O-CA 3.37Å; F41-L239 HydrophobicContact CD1-CB 4.22Å; F41-L239 HydrophobicContact CD1-CG 4.23Å; F41-L239 PolarHBondContact N-O 2.79Å; F41-L239 CarbonylContact O-C 3.57Å; F41-L239 PolarHBondContact O-N 3.36Å; F41-L239 VanDerWaalsContact O-O 3.1Å
42K92.5Very high89.1Confident65 Ų6570.5 Ų70.528%0.28334%0.344SS..EExtended strand (participates in β ladder)trans-150138.5-176.4-161.2-174.3176.6-169.40110.5C20 A21 Y24C20-K42 CarbonylContact C-O 3.31Å; C20-K42 WeakPolarHBondContact CA-O 3.42Å; A21-K42 PolarHBondContact N-O 3.1Å; Y24-K42 HydrophobicContact CD1-CB 4Å; Y24-K42 HydrophobicContact CG-CB 3.8Å; Y24-K42 HydrophobicContact CG-CD 4.42Å; Y24-K42 PolarHBondContact O-N 3.2Å
43L91.5Very high89.5Confident3 Ų367.4 Ų67.42%0.01632%0.318CS..BIsolated β-bridgetrans-82.2158.4169.5-69.5-171.1000111.4K18 L19 F41 L47 L51 L237K18-L43 HydrophobicContact CB-CD1 3.96Å; K18-L43 HydrophobicContact CB-CD2 3.6Å; K18-L43 HydrophobicContact CB-CG 4.48Å; K18-L43 HydrophobicContact CD-CD1 4.01Å; L19-L43 VanDerWaalsContact O-CD2 3.28Å; L19-L43 WeakPolarHBondContact O-CD2 3.27Å; F41-L43 HydrophobicContact CE2-CD2 4.01Å; F41-L43 HydrophobicContact CZ-CD2 3.66Å; F41-L43 HydrophobicContact CZ-CG 4.01Å; L43-L47 HydrophobicContact CB-CB 4.36Å; L43-L47 HydrophobicContact CB-CD1 4.15Å; L43-L47 HydrophobicContact CD1-CB 4.21Å; L43-L47 HydrophobicContact CD1-CD1 4.43Å; L43-L47 HydrophobicContact CD2-CD1 4.26Å; L43-L51 HydrophobicContact CD1-CB 4.14Å; L43-L51 HydrophobicContact CD1-CD1 3.91Å; L43-L51 HydrophobicContact CD1-CG 4.41Å; L43-L51 HydrophobicContact CD2-CD1 4.29Å; L43-L51 HydrophobicContact CG-CD1 4.12Å; L43-L237 HydrophobicContact CB-CB 4.26Å; L43-L237 HydrophobicContact CD1-CB 4Å; L43-L237 HydrophobicContact CD1-CD1 4.22Å; L43-L237 HydrophobicContact CG-CB 4.34Å; L43-L237 PolarHBondContact N-O 3.25Å
44E90.1Very high89.8Confident49 Ų4965.2 Ų65.223%0.22931%0.307CS..  trans-59.2147167.7-93.3-51.8141.800113.8L19 A21 F46 L47L19-E44 PolarHBondContact O-N 3.08Å; A21-E44 WeakPolarHBondContact CA-OE1 3.28Å; A21-E44 HydrophobicContact CB-CG 4.35Å; A21-E44 VanDerWaalsContact CB-OE1 3.29Å; A21-E44 WeakPolarHBondContact CB-OE1 3.44Å; E44-F46 HydrophobicContact CB-CD1 4.05Å; E44-F46 HydrophobicContact CB-CE1 3.53Å; E44-F46 HydrophobicContact CB-CE2 4.38Å; E44-F46 HydrophobicContact CB-CZ 3.72Å; E44-F46 HydrophobicContact CG-CE1 3.81Å; E44-F46 HydrophobicContact CG-CZ 4.09Å; E44-F46 PolarHBondContact O-N 3.06Å; E44-F46 VanDerWaalsContact O-N 3.14Å; E44-L47 HydrophobicContact CB-CD1 3.97Å; E44-L47 HydrophobicContact CB-CG 4.19Å; E44-L47 WeakPolarHBondContact O-CB 3.49Å; E44-L47 PolarHBondContact O-N 3.18Å
45Y85.1Confident90.2Very high206 Ų20661.9 Ų61.981%0.80829%0.285SS*.THydrogen-bonded Turntrans-66.1-23-165.569.7-89.8000114.4
46F83.3Confident90.5Very high116 Ų11662.7 Ų62.751%0.50928%0.279SS..THydrogen-bonded Turntrans-84-11.8178.255.8-95.2000113.2E44E44-F46 HydrophobicContact CB-CD1 4.05Å; E44-F46 HydrophobicContact CB-CE1 3.53Å; E44-F46 HydrophobicContact CB-CE2 4.38Å; E44-F46 HydrophobicContact CB-CZ 3.72Å; E44-F46 HydrophobicContact CG-CE1 3.81Å; E44-F46 HydrophobicContact CG-CZ 4.09Å; E44-F46 PolarHBondContact O-N 3.06Å; E44-F46 VanDerWaalsContact O-N 3.14Å
47L87.6Confident90.7Very high37 Ų3760.7 Ų60.719%0.19427%0.268CS..PPolyproline II helixtrans-79.9124.2-176.9-63.6175.2000111.5K18 L19 L43 E44 L237K18-L47 HydrophobicContact CB-CD1 4.26Å; L19-L47 HydrophobicContact CB-CD1 4.13Å; L19-L47 WeakPolarHBondContact O-CD1 3.47Å; L43-L47 HydrophobicContact CB-CB 4.36Å; L43-L47 HydrophobicContact CB-CD1 4.15Å; L43-L47 HydrophobicContact CD1-CB 4.21Å; L43-L47 HydrophobicContact CD1-CD1 4.43Å; L43-L47 HydrophobicContact CD2-CD1 4.26Å; E44-L47 HydrophobicContact CB-CD1 3.97Å; E44-L47 HydrophobicContact CB-CG 4.19Å; E44-L47 WeakPolarHBondContact O-CB 3.49Å; E44-L47 PolarHBondContact O-N 3.18Å; L47-L237 WeakPolarHBondContact O-CD1 3.41Å
48R86.3Confident90.6Very high202 Ų20258.7 Ų58.776%0.76228%0.275SS*.PPolyproline II helixtrans-91.5165.5177.6-61.4-177.2-175176.72.4111.4K18K18-R48 PolarHBondContact NZ-O 3.01Å
49P86.3Confident90.7Very high44 Ų4451.2 Ų51.229%0.28624%0.242SC..SBendtrans-58.5165.4170.1-23.135.6000112.7P229 L237P49-P229 WeakPolarHBondContact CB-O 3.48Å; P49-L237 HydrophobicContact CG-CD1 3.96Å; P49-L237 HydrophobicContact CG-CD2 4.24Å
50P90.3Very high90.8Very high57 Ų5749.8 Ų49.837%0.3724%0.239SC..PPolyproline II helixcis-75.3141.1-5.131.6-35.5000112N17 K18 V228N17-P50 PolarHBondContact ND2-O 3.29Å; K18-P50 PolarHBondContact NZ-O 2.98Å; P50-V228 WeakPolarHBondContact CA-O 3.17Å
51L91.8Very high90.8Very high2 Ų249.7 Ų49.71%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-97.7130.9165157.965.3000108.2C16 F41 L43 V53 T227 V228 L237C16-L51 VanDerWaalsContact SG-CD1 3.56Å; F41-L51 HydrophobicContact CE1-CD1 3.77Å; F41-L51 HydrophobicContact CE1-CD2 4.05Å; F41-L51 HydrophobicContact CZ-CD1 3.73Å; L43-L51 HydrophobicContact CD1-CB 4.14Å; L43-L51 HydrophobicContact CD1-CD1 3.91Å; L43-L51 HydrophobicContact CD1-CG 4.41Å; L43-L51 HydrophobicContact CD2-CD1 4.29Å; L43-L51 HydrophobicContact CG-CD1 4.12Å; L51-V53 HydrophobicContact CD1-CG2 3.95Å; L51-V53 HydrophobicContact CG-CG2 4.44Å; L51-T227 CarbonylContact O-C 3.49Å; L51-T227 WeakPolarHBondContact O-CA 2.82Å; L51-V228 HydrophobicContact CB-CB 4.27Å; L51-V228 HydrophobicContact CD2-CB 4.49Å; L51-V228 HydrophobicContact CD2-CG2 4.41Å; L51-V228 PolarHBondContact N-O 3.38Å; L51-V228 PolarHBondContact O-N 3.37Å; L51-L237 HydrophobicContact CD2-CB 4.27Å
52H94.1Very high90.8Very high46 Ų4650.4 Ų50.421%0.21324%0.241CC..EExtended strand (participates in β ladder)trans-121126.4170-57.8-72000109.6C16 N17 R225 V226 T227C16-H52 WeakPolarHBondContact CA-O 3.46Å; N17-H52 HydrophobicContact CB-CB 4.24Å; N17-H52 PolarHBondContact N-O 2.87Å; N17-H52 PolarHBondContact OD1-N 3.44Å; N17-H52 PolarHBondContact OD1-O 2.87Å; H52-R225 HydrophobicContact CB-CG 4.25Å; H52-V226 WeakPolarHBondContact CA-O 3.15Å; H52-T227 WeakPolarHBondContact CE1-CG2 3.2Å; H52-T227 VanDerWaalsContact ND1-CG2 3.27Å; H52-T227 WeakPolarHBondContact ND1-CG2 3.47Å; H52-T227 PolarHBondContact ND1-OG1 2.92Å
53V95.3Very high90.8Very high1 Ų147.3 Ų47.31%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-113.5113.6167.7179.20000107.7H15 V26 I29 F41 L51 R225 V226 L239H15-V53 CarbonylContact O-C 3.59Å; H15-V53 WeakPolarHBondContact O-CA 3.29Å; V26-V53 HydrophobicContact CG2-CG1 3.8Å; V26-V53 HydrophobicContact CG2-CG2 4.47Å; I29-V53 HydrophobicContact CD1-CG1 4.08Å; F41-V53 HydrophobicContact CD1-CG2 3.96Å; F41-V53 HydrophobicContact CE1-CG2 3.49Å; F41-V53 VanDerWaalsContact CE1-CG2 3.49Å; F41-V53 HydrophobicContact CZ-CG2 4.23Å; L51-V53 HydrophobicContact CD1-CG2 3.95Å; L51-V53 HydrophobicContact CG-CG2 4.44Å; V53-R225 CarbonylContact O-C 3.55Å; V53-R225 WeakPolarHBondContact O-CA 3.25Å; V53-V226 HydrophobicContact CB-CB 4.48Å; V53-V226 PolarHBondContact N-O 3.3Å; V53-V226 PolarHBondContact O-N 3.11Å; V53-L239 HydrophobicContact CB-CD1 4.09Å; V53-L239 HydrophobicContact CG1-CD1 4.27Å; V53-L239 HydrophobicContact CG2-CD1 3.89Å; V53-L239 HydrophobicContact CG2-CG 4.37Å
54T95.8Very high90.8Very high16 Ų1647.9 Ų47.910%0.09823%0.232CC..EExtended strand (participates in β ladder)trans-105.1118.7179.2-57.30000109.6H15 K56 F167 L224 R225H15-T54 PolarHBondContact N-O 2.88Å; H15-T54 PolarHBondContact O-N 3.21Å; T54-K56 HydrophobicContact CG2-CG 4.47Å; T54-F167 HydrophobicContact CG2-CE1 4.44Å; T54-F167 HydrophobicContact CG2-CZ 3.86Å; T54-L224 CarbonylContact C-O 3.53Å; T54-L224 WeakPolarHBondContact CA-O 3.3Å; T54-R225 WeakPolarHBondContact OG1-CG 3.36Å
55L95.2Very high90.9Very high0 Ų046.3 Ų46.30%022%0.224CC..EExtended strand (participates in β ladder)trans-89.4134.9165.1-57.9-177.6000109.4T12 T13 A14 V30 F57 Q223 L224 L242 V244T12-L55 HydrophobicContact CG2-CB 4.09Å; T12-L55 HydrophobicContact CG2-CD2 4.42Å; T13-L55 CarbonylContact O-C 3.53Å; T13-L55 VanDerWaalsContact O-CA 3.3Å; T13-L55 WeakPolarHBondContact O-CA 3.49Å; A14-L55 HydrophobicContact CB-CD2 3.6Å; V30-L55 HydrophobicContact CG1-CD2 4.17Å; L55-F57 HydrophobicContact CB-CE1 4.24Å; L55-F57 HydrophobicContact CB-CZ 4.35Å; L55-F57 HydrophobicContact CD1-CE1 4.29Å; L55-Q223 CarbonylContact O-C 3.57Å; L55-Q223 VanDerWaalsContact O-CA 3.28Å; L55-Q223 WeakPolarHBondContact O-CA 3.24Å; L55-L224 PolarHBondContact N-O 3.25Å; L55-L224 PolarHBondContact O-N 2.96Å; L55-L242 HydrophobicContact CD1-CD2 3.87Å; L55-L242 HydrophobicContact CD2-CD2 4.47Å; L55-L242 HydrophobicContact CG-CD2 4.28Å; L55-V244 HydrophobicContact CD1-CG2 3.73Å
56K94.4Very high91.3Very high93 Ų9336.5 Ų36.540%0.40419%0.186SC..EExtended strand (participates in β ladder)trans-113.6121.2166.1-54.2-170.4178.8-172.90108.5T12 T13 T54 Q223T12-K56 WeakPolarHBondContact CA-O 3.11Å; T13-K56 PolarHBondContact N-O 3.48Å; T13-K56 PolarHBondContact O-N 3.49Å; T54-K56 HydrophobicContact CG2-CG 4.47Å; K56-Q223 HydrophobicContact CB-CG 4.41Å; K56-Q223 HydrophobicContact CD-CG 4.49Å; K56-Q223 VanDerWaalsContact CE-OE1 3.29Å; K56-Q223 HydrophobicContact CG-CG 3.99Å
57F93Very high91.8Very high18 Ų1832 Ų328%0.07917%0.167CC..EExtended strand (participates in β ladder)trans-83.4146.7-178.2-54.5-62.1000110.6L5 T12 L55 F59 V61 V221 T222 L224 V244L5-F57 HydrophobicContact CB-CD1 4.05Å; L5-F57 HydrophobicContact CB-CE1 3.92Å; L5-F57 HydrophobicContact CD1-CE1 4.33Å; T12-F57 HydrophobicContact CG2-CD1 3.7Å; T12-F57 HydrophobicContact CG2-CE1 3.99Å; L55-F57 HydrophobicContact CB-CE1 4.24Å; L55-F57 HydrophobicContact CB-CZ 4.35Å; L55-F57 HydrophobicContact CD1-CE1 4.29Å; F57-F59 WeakPolarHBondContact CB-O 3.28Å; F57-F59 PolarHBondContact O-N 3.22Å; F57-V61 HydrophobicContact CB-CG2 4.09Å; F57-V61 HydrophobicContact CD1-CG2 4.48Å; F57-V61 HydrophobicContact CD2-CB 4.21Å; F57-V61 HydrophobicContact CD2-CG2 4.03Å; F57-V61 HydrophobicContact CG-CG2 3.94Å; F57-V221 HydrophobicContact CD2-CG1 4.41Å; F57-V221 HydrophobicContact CE2-CG1 3.98Å; F57-T222 PolarHBondContact N-O 3.03Å; F57-L224 HydrophobicContact CE2-CB 3.79Å; F57-L224 HydrophobicContact CZ-CB 3.75Å; F57-L224 HydrophobicContact CZ-CD1 4.41Å; F57-V244 HydrophobicContact CE1-CG1 4.31Å; F57-V244 HydrophobicContact CZ-CG1 4Å
58G87Confident92.1Very high45 Ų4530.4 Ų30.446%0.46416%0.158SC..EExtended strand (participates in β ladder)trans-68.3-10.317700000114.8
59F90Very high92.4Very high8 Ų822.3 Ų22.34%0.03513%0.129CC..EExtended strand (participates in β ladder)trans-153.3158.8179.752.8-89000110L5 F10 F57 V61 P248 I260L5-F59 HydrophobicContact CD2-CE1 4.4Å; L5-F59 HydrophobicContact CD2-CE2 3.84Å; L5-F59 HydrophobicContact CD2-CZ 3.44Å; L5-F59 VanDerWaalsContact CD2-CZ 3.44Å; F10-F59 HydrophobicContact CB-CE1 4.04Å; F10-F59 HydrophobicContact CB-CZ 4.48Å; F10-F59 AromaticContact CD1-CE1 3.97Å; F10-F59 HydrophobicContact CD1-CE1 3.97Å; F10-F59 HydrophobicContact CD1-CZ 4.1Å; F10-F59 HydrophobicContact CG-CE1 4.33Å; F10-F59 HydrophobicContact CG-CZ 4.44Å; F57-F59 WeakPolarHBondContact CB-O 3.28Å; F57-F59 PolarHBondContact O-N 3.22Å; F59-V61 HydrophobicContact CD2-CG2 4.05Å; F59-V61 HydrophobicContact CE2-CG2 3.78Å; F59-P248 HydrophobicContact CD2-CB 4.47Å; F59-P248 HydrophobicContact CE2-CB 4.49Å; F59-P248 HydrophobicContact CE2-CG 4.17Å; F59-I260 HydrophobicContact CB-CD1 4.36Å; F59-I260 HydrophobicContact CD1-CD1 3.57Å; F59-I260 HydrophobicContact CD1-CG1 4.15Å; F59-I260 HydrophobicContact CD2-CD1 3.63Å; F59-I260 HydrophobicContact CE1-CD1 3.62Å; F59-I260 HydrophobicContact CE1-CG1 3.9Å; F59-I260 HydrophobicContact CE2-CD1 3.68Å; F59-I260 HydrophobicContact CG-CD1 3.57Å; F59-I260 HydrophobicContact CZ-CD1 3.67Å; F59-I260 HydrophobicContact CZ-CG1 4.13Å; F59-I260 HydrophobicContact CZ-CG2 4.28Å
60P91.6Very high92.5Very high36 Ų3620.6 Ų20.623%0.23412%0.118CC..EExtended strand (participates in β ladder)trans-65133.8176.3-22.334.3000112.9T222 A249 C252P60-T222 HydrophobicContact CG-CG2 4.38Å; P60-A249 HydrophobicContact CB-CB 3.82Å; P60-A249 VanDerWaalsContact O-CB 3.24Å; P60-A249 WeakPolarHBondContact O-CB 3.33Å; P60-A249 PolarHBondContact O-N 3.33Å; P60-C252 PolarHBondContact O-SG 3.17Å
61V92.1Very high92.4Very high0 Ų020 Ų200%011%0.108CC..EExtended strand (participates in β ladder)trans-115.2141.9-170.8162.20000112.7L5 F57 F59 L63 S219 A220 V221L5-V61 HydrophobicContact CD1-CB 4.18Å; L5-V61 HydrophobicContact CD1-CG1 3.43Å; L5-V61 VanDerWaalsContact CD1-CG1 3.43Å; L5-V61 HydrophobicContact CD1-CG2 3.62Å; L5-V61 HydrophobicContact CD2-CG2 3.81Å; L5-V61 HydrophobicContact CG-CG2 4.36Å; F57-V61 HydrophobicContact CB-CG2 4.09Å; F57-V61 HydrophobicContact CD1-CG2 4.48Å; F57-V61 HydrophobicContact CD2-CB 4.21Å; F57-V61 HydrophobicContact CD2-CG2 4.03Å; F57-V61 HydrophobicContact CG-CG2 3.94Å; F59-V61 HydrophobicContact CD2-CG2 4.05Å; F59-V61 HydrophobicContact CE2-CG2 3.78Å; V61-L63 HydrophobicContact CG1-CD2 3.67Å; V61-L63 HydrophobicContact CG1-CG 4.12Å; V61-S219 CarbonylContact O-C 3.55Å; V61-S219 VanDerWaalsContact O-C 3.31Å; V61-A220 PolarHBondContact O-N 2.67Å; V61-V221 PolarHBondContact N-O 3.04Å; V61-V221 PolarHBondContact O-N 2.89Å
62E92.9Very high91.7Very high15 Ų1523.5 Ų23.57%0.0713%0.131CC..EExtended strand (participates in β ladder)trans-98.2120.5157.3-179.3176.3-151.600110.1F188 R191 L218 G246 Q247E62-F188 HydrophobicContact CB-CE2 4.46Å; E62-F188 HydrophobicContact CG-CD2 3.92Å; E62-F188 HydrophobicContact CG-CE2 3.86Å; E62-R191 IonicContact OE1-NH1 3.77Å; E62-R191 IonicContact OE2-CZ 3.1Å; E62-R191 IonicContact OE2-NH1 2.64Å; E62-R191 PolarHBondContact OE2-NH1 2.83Å; E62-R191 IonicContact OE2-NH2 2.72Å; E62-R191 PolarHBondContact OE2-NH2 2.7Å; E62-L218 CarbonylContact C-O 3.54Å; E62-L218 WeakPolarHBondContact CA-O 3.42Å; E62-G246 CarbonylContact O-C 3.53Å; E62-G246 WeakPolarHBondContact O-CA 3.3Å; E62-Q247 HydrophobicContact CB-CG 4.22Å; E62-Q247 PolarHBondContact N-O 3.42Å; E62-Q247 PolarHBondContact O-N 3.49Å; E62-Q247 PolarHBondContact OE2-NE2 3.09Å
63L92.7Very high90.4Very high0 Ų023.5 Ų23.50%013%0.129CC..EExtended strand (participates in β ladder)trans-82130.8-174.5-65.5172.9000111.3V61 T88 H185 F188 L218 V221 L224 V244V61-L63 HydrophobicContact CG1-CD2 3.67Å; V61-L63 HydrophobicContact CG1-CG 4.12Å; L63-T88 HydrophobicContact CD1-CG2 3.64Å; L63-H185 WeakPolarHBondContact O-CB 3.21Å; L63-H185 PolarHBondContact O-ND1 2.92Å; L63-F188 VanDerWaalsContact O-CD2 3.3Å; L63-F188 WeakPolarHBondContact O-CD2 3.4Å; L63-L218 HydrophobicContact CD1-CD2 3.99Å; L63-L218 PolarHBondContact N-O 3.05Å; L63-V221 HydrophobicContact CD1-CB 4.43Å; L63-V221 HydrophobicContact CD1-CG1 4.41Å; L63-V221 HydrophobicContact CD1-CG2 3.89Å; L63-V221 HydrophobicContact CG-CG2 4.17Å; L63-L224 HydrophobicContact CD1-CD1 3.94Å; L63-L224 HydrophobicContact CD2-CD1 4.09Å; L63-V244 HydrophobicContact CD2-CG1 3.48Å; L63-V244 VanDerWaalsContact CD2-CG1 3.48Å
64C91.6Very high89.1Confident15 Ų1525.1 Ų25.110%0.10115%0.146CC..EExtended strand (participates in β ladder)trans-99.1-52.9171-175.70000110.9H185 F188 W245C64-H185 PolarHBondContact O-N 2.8Å; C64-F188 HydrophobicContact CB-CD1 3.84Å; C64-F188 HydrophobicContact CB-CD2 3.72Å; C64-F188 HydrophobicContact CB-CE1 3.84Å; C64-F188 HydrophobicContact CB-CE2 3.7Å; C64-F188 HydrophobicContact CB-CG 3.78Å; C64-F188 HydrophobicContact CB-CZ 3.77Å; C64-F188 WeakPolarHBondContact SG-CD1 3.28Å; C64-W245 WeakPolarHBondContact CA-O 3.44Å; C64-W245 HydrophobicContact CB-CB 4.44Å; C64-W245 WeakPolarHBondContact CB-O 3.45Å; C64-W245 PolarHBondContact N-O 2.9Å
65R92.4Very high87.5Confident16 Ų1633.1 Ų33.16%0.0619%0.185CC..EExtended strand (participates in β ladder)trans-152.8150-177-159.9173.877.5-147.15.8112.2D67 S182 F183 P199 W245R65-D67 WeakPolarHBondContact CD-OD1 3.15Å; R65-D67 IonicContact CZ-OD1 2.84Å; R65-D67 IonicContact CZ-OD2 2.69Å; R65-D67 VanDerWaalsContact NE-CG 3.34Å; R65-D67 IonicContact NE-OD1 3.6Å; R65-D67 PolarHBondContact NE-OD1 2.8Å; R65-D67 IonicContact NE-OD2 3.66Å; R65-D67 PolarHBondContact NE-OD2 2.76Å; R65-D67 VanDerWaalsContact NE-OD2 3.15Å; R65-D67 IonicContact NH2-OD1 2.7Å; R65-D67 IonicContact NH2-OD2 3.56Å; R65-D67 PolarHBondContact NH2-OD2 2.85Å; R65-S182 WeakPolarHBondContact CD-OG 3.36Å; R65-F183 CarbonylContact C-O 3.6Å; R65-F183 VanDerWaalsContact CA-O 3.23Å; R65-F183 WeakPolarHBondContact CA-O 3.47Å; R65-F183 WeakPolarHBondContact CG-O 3.47Å; R65-P199 VanDerWaalsContact CZ-O 3.27Å; R65-P199 PolarHBondContact NH1-O 2.75Å; R65-P199 PolarHBondContact NH2-O 3.27Å; R65-W245 HydrophobicContact CB-CB 4.18Å; R65-W245 HydrophobicContact CB-CG 4.49Å; R65-W245 PolarHBondContact N-O 3.44Å; R65-W245 VanDerWaalsContact N-O 3.07Å; R65-W245 PolarHBondContact O-N 3.21Å
66V94.4Very high85.8Confident0 Ų033.9 Ų33.90%019%0.189CC..EExtended strand (participates in β ladder)trans-125.3113.9171.3-1760000108V68 I86 F183 L224 L242 V244V66-V68 HydrophobicContact CG1-CG2 3.98Å; V66-I86 HydrophobicContact CG1-CD1 4.35Å; V66-F183 HydrophobicContact CB-CB 4.24Å; V66-F183 HydrophobicContact CB-CD2 4.49Å; V66-F183 PolarHBondContact N-O 2.96Å; V66-F183 PolarHBondContact O-N 2.95Å; V66-L224 HydrophobicContact CG2-CD1 3.81Å; V66-L242 HydrophobicContact CG1-CD1 3.89Å; V66-V244 HydrophobicContact CG1-CG2 4.33Å; V66-V244 HydrophobicContact CG2-CG1 4.41Å
67D93.4Very high84.2Confident21 Ų2139.8 Ų39.811%0.11221%0.208CC..EExtended strand (participates in β ladder)trans-101.1124.2177.2-57.3-33.4000109.1R65 V181 S182 L242 A243 W245R65-D67 WeakPolarHBondContact CD-OD1 3.15Å; R65-D67 IonicContact CZ-OD1 2.84Å; R65-D67 IonicContact CZ-OD2 2.69Å; R65-D67 VanDerWaalsContact NE-CG 3.34Å; R65-D67 IonicContact NE-OD1 3.6Å; R65-D67 PolarHBondContact NE-OD1 2.8Å; R65-D67 IonicContact NE-OD2 3.66Å; R65-D67 PolarHBondContact NE-OD2 2.76Å; R65-D67 VanDerWaalsContact NE-OD2 3.15Å; R65-D67 IonicContact NH2-OD1 2.7Å; R65-D67 IonicContact NH2-OD2 3.56Å; R65-D67 PolarHBondContact NH2-OD2 2.85Å; D67-V181 WeakPolarHBondContact CA-O 3.26Å; D67-S182 WeakPolarHBondContact OD1-CB 3.41Å; D67-L242 WeakPolarHBondContact O-CA 3.47Å; D67-A243 HydrophobicContact CB-CB 4.34Å; D67-A243 PolarHBondContact N-O 2.95Å; D67-A243 PolarHBondContact O-N 2.86Å; D67-W245 PolarHBondContact OD2-NE1 2.93Å
68V93.8Very high82.6Confident3 Ų339.7 Ų39.72%0.01821%0.212CC..EExtended strand (participates in β ladder)trans-124.2126-177.2-166.80000109.5V66 L70 L84 I86 Q180 V181 F183 V226 L239 L242V66-V68 HydrophobicContact CG1-CG2 3.98Å; V68-L70 HydrophobicContact CG1-CD2 4.05Å; V68-L84 HydrophobicContact CB-CD2 4.02Å; V68-L84 HydrophobicContact CG1-CD1 4.46Å; V68-L84 HydrophobicContact CG1-CD2 4.01Å; V68-L84 HydrophobicContact CG2-CD2 4.25Å; V68-I86 HydrophobicContact CG2-CD1 4.39Å; V68-Q180 CarbonylContact O-C 3.57Å; V68-Q180 WeakPolarHBondContact O-CA 2.89Å; V68-V181 PolarHBondContact N-O 2.89Å; V68-V181 PolarHBondContact O-N 2.77Å; V68-F183 HydrophobicContact CG2-CD2 4.19Å; V68-F183 HydrophobicContact CG2-CE2 3.97Å; V68-V226 HydrophobicContact CG1-CG1 4.49Å; V68-L239 HydrophobicContact CG1-CD2 3.84Å; V68-L242 HydrophobicContact CG2-CD1 3.89Å
69E92.1Very high81.4Confident32 Ų3246 Ų4615%0.1523%0.23CC..EExtended strand (participates in β ladder)trans-111.8119.7168-173.7175.8-150.400110.1T179 Q180 L239 K240 A241E69-T179 CarbonylContact C-O 3.22Å; E69-T179 WeakPolarHBondContact CA-O 3.45Å; E69-Q180 HydrophobicContact CB-CG 4.03Å; E69-Q180 HydrophobicContact CG-CG 3.69Å; E69-Q180 PolarHBondContact OE1-NE2 2.84Å; E69-L239 CarbonylContact O-C 3.54Å; E69-K240 HydrophobicContact CB-CB 4.49Å; E69-K240 HydrophobicContact CG-CB 4.11Å; E69-K240 HydrophobicContact CG-CD 4.28Å; E69-K240 HydrophobicContact CG-CG 4.36Å; E69-K240 PolarHBondContact O-N 2.8Å; E69-K240 IonicContact OE1-NZ 3.18Å; E69-K240 PolarHBondContact OE1-NZ 3.03Å; E69-K240 IonicContact OE2-NZ 3.38Å; E69-K240 PolarHBondContact OE2-NZ 3.07Å; E69-A241 HydrophobicContact CB-CB 4.04Å; E69-A241 PolarHBondContact N-O 2.77Å; E69-A241 PolarHBondContact O-N 2.84Å
70L89.8Confident80.3Confident8 Ų847 Ų474%0.04224%0.239CC..EExtended strand (participates in β ladder)trans-86.9157173.4-55.8-175000110.8V68 K82 L84 L175 T179 L239V68-L70 HydrophobicContact CG1-CD2 4.05Å; L70-K82 HydrophobicContact CD1-CD 4.26Å; L70-L84 HydrophobicContact CD2-CD1 4.45Å; L70-L175 HydrophobicContact CD1-CD1 3.61Å; L70-T179 PolarHBondContact N-O 3.18Å; L70-L239 HydrophobicContact CD2-CD2 3.5Å
71W87.2Confident79.5Confident44 Ų4451 Ų5117%0.16725%0.254CS..PPolyproline II helixtrans-61.5146.1168.4-70.4102.4000111.5Y24 Q39 F41 K82 K240Y24-W71 HydrophobicContact CD1-CZ2 4.13Å; Y24-W71 HydrophobicContact CE1-CH2 4.05Å; Y24-W71 AromaticContact CE1-CZ2 4Å; Y24-W71 HydrophobicContact CE1-CZ2 4Å; Q39-W71 WeakPolarHBondContact O-CH2 3.27Å; Q39-W71 WeakPolarHBondContact O-CZ2 3.46Å; F41-W71 PolarHBondContact O-NE1 3.18Å; W71-K82 PolarHBondContact O-NZ 3.11Å; W71-K240 HydrophobicContact CD2-CB 4.09Å; W71-K240 HydrophobicContact CE3-CB 4.31Å; W71-K240 HydrophobicContact CE3-CD 4.26Å; W71-K240 HydrophobicContact CH2-CB 4.45Å; W71-K240 HydrophobicContact CH2-CG 4.31Å; W71-K240 HydrophobicContact CZ2-CB 4.25Å; W71-K240 HydrophobicContact CZ3-CB 4.48Å; W71-K240 HydrophobicContact CZ3-CD 4.13Å; W71-K240 HydrophobicContact CZ3-CG 4.31Å
72P78.1Confident79Confident77 Ų7751.6 Ų51.650%0.526%0.257SS..PPolyproline II helixtrans-53.1163.3178.9-2936.7000115S235P72-S235 PolarHBondContact O-OG 3.4Å
73W66.5Low78.8Confident46 Ų4654.5 Ų54.517%0.17427%0.268CS..PPolyproline II helixtrans-62.8145.9172.8-64.686000110.9A80 K82 T176 E177W73-A80 VanDerWaalsContact CH2-O 3.32Å; W73-A80 WeakPolarHBondContact CH2-O 3.34Å; W73-A80 WeakPolarHBondContact CZ3-O 3.38Å; W73-K82 HydrophobicContact CH2-CD 4.18Å; W73-K82 HydrophobicContact CH2-CG 3.85Å; W73-K82 HydrophobicContact CZ2-CD 4.14Å; W73-K82 HydrophobicContact CZ2-CG 4.24Å; W73-K82 HydrophobicContact CZ3-CG 4.29Å; W73-T176 WeakPolarHBondContact CH2-O 3.48Å; W73-T176 WeakPolarHBondContact CZ2-O 3.41Å; W73-E177 VanDerWaalsContact NE1-C 3.3Å; W73-E177 PolarHBondContact NE1-O 3.47Å
74G66.9Low78.9Confident35 Ų3554.5 Ų54.536%0.36127%0.268SS..  trans-88.7-136.7177.300000110.6D76G74-D76 WeakPolarHBondContact CA-OD1 3.45Å; G74-D76 PolarHBondContact N-OD1 3.07Å; G74-D76 PolarHBondContact O-N 3.45Å
75M61.6Low79Confident184 Ų18455.4 Ų55.491%0.90627%0.27SS*.THydrogen-bonded Turntrans-69.7-7.3172.4-66.3-177.6130.800113.4
76D60.5Low79.2Confident16 Ų1654.6 Ų54.69%0.08627%0.267CS..THydrogen-bonded Turntrans-78-13-172.553.2-12000114.9G74 G78 Q79 A80 G232G74-D76 WeakPolarHBondContact CA-OD1 3.45Å; G74-D76 PolarHBondContact N-OD1 3.07Å; G74-D76 PolarHBondContact O-N 3.45Å; D76-G78 PolarHBondContact O-N 3.46Å; D76-Q79 WeakPolarHBondContact O-CB 3.34Å; D76-Q79 PolarHBondContact O-N 2.73Å; D76-A80 HydrophobicContact CB-CB 4.48Å; D76-G232 WeakPolarHBondContact OD2-CA 3.38Å
77R60.4Low79.3Confident217 Ų21755 Ų5582%0.81927%0.27SS*.THydrogen-bonded Turntrans42.144.3170.9-64.1-174.4179.5-92.82.4114.3Q79R77-Q79 VanDerWaalsContact C-N 3.28Å; R77-Q79 PolarHBondContact O-N 2.92Å
78G60.7Low79.3Confident15 Ų1554.1 Ų54.116%0.15527%0.265CS..THydrogen-bonded Turntrans74.91178.700000117.3D76 A80 T176D76-G78 PolarHBondContact O-N 3.46Å; G78-A80 PolarHBondContact O-N 2.76Å; G78-T176 WeakPolarHBondContact CA-O 3.36Å
79Q61.1Low79.3Confident178 Ų17854.3 Ų54.383%0.83227%0.267SS*.  trans-74-1.9-178.7-61.6-166.1-23.300114.8D76 R77D76-Q79 WeakPolarHBondContact O-CB 3.34Å; D76-Q79 PolarHBondContact O-N 2.73Å; R77-Q79 VanDerWaalsContact C-N 3.28Å; R77-Q79 PolarHBondContact O-N 2.92Å
80A67Low79.2Confident28 Ų2854.2 Ų54.223%0.23127%0.27CS..SBendtrans-136.193.6-170.800000112.8W73 D76 G78 K82W73-A80 VanDerWaalsContact CH2-O 3.32Å; W73-A80 WeakPolarHBondContact CH2-O 3.34Å; W73-A80 WeakPolarHBondContact CZ3-O 3.38Å; D76-A80 HydrophobicContact CB-CB 4.48Å; G78-A80 PolarHBondContact O-N 2.76Å; A80-K82 PolarHBondContact O-N 3.3Å
81H75.1Confident78.6Confident121 Ų12156.5 Ų56.556%0.5628%0.282SS*.PPolyproline II helixtrans-47.2120.2-175.8-58.4-86.8000114.1L175 T176H81-L175 WeakPolarHBondContact CA-O 3.47Å; H81-T176 WeakPolarHBondContact CE1-CG2 3.33Å; H81-T176 WeakPolarHBondContact ND1-CG2 3.16Å
82K80.9Confident77.2Confident13 Ų1360.1 Ų60.16%0.05731%0.309CS..EExtended strand (participates in β ladder)trans-86.4131.5167.8-63.3-179.7179.1-179.10108.6L70 W71 W73 A80 E174 L175 S235L70-K82 HydrophobicContact CD1-CD 4.26Å; W71-K82 PolarHBondContact O-NZ 3.11Å; W73-K82 HydrophobicContact CH2-CD 4.18Å; W73-K82 HydrophobicContact CH2-CG 3.85Å; W73-K82 HydrophobicContact CZ2-CD 4.14Å; W73-K82 HydrophobicContact CZ2-CG 4.24Å; W73-K82 HydrophobicContact CZ3-CG 4.29Å; A80-K82 PolarHBondContact O-N 3.3Å; K82-E174 WeakPolarHBondContact O-CA 3.41Å; K82-L175 HydrophobicContact CB-CB 4.47Å; K82-L175 PolarHBondContact N-O 2.65Å; K82-L175 PolarHBondContact O-N 2.92Å; K82-S235 WeakPolarHBondContact CE-OG 3.4Å; K82-S235 PolarHBondContact NZ-OG 3.28Å
83R89.8Confident75.7Confident76 Ų7661.3 Ų61.329%0.28732%0.319SS..EExtended strand (participates in β ladder)trans-98.8141.8171.4-173.6175.8-66.2146.44.4109.7E85 R172 C173 E174 P229 C230R83-E85 WeakPolarHBondContact CD-OE1 3.12Å; R83-E85 HydrophobicContact CG-CG 4.03Å; R83-R172 HydrophobicContact CG-CG 4.22Å; R83-C173 WeakPolarHBondContact CA-O 3.37Å; R83-E174 HydrophobicContact CB-CG 4.38Å; R83-E174 HydrophobicContact CG-CG 4.12Å; R83-E174 IonicContact CZ-OE1 2.69Å; R83-E174 IonicContact NE-OE1 2.72Å; R83-E174 PolarHBondContact NE-OE1 2.78Å; R83-E174 IonicContact NH2-OE1 3.31Å; R83-E174 PolarHBondContact NH2-OE1 3Å; R83-P229 HydrophobicContact CB-CG 3.96Å; R83-P229 HydrophobicContact CG-CG 3.87Å; R83-P229 WeakPolarHBondContact O-CD 3.49Å; R83-C230 WeakPolarHBondContact CB-SG 3.36Å; R83-C230 PolarHBondContact N-O 3.49Å; R83-C230 VanDerWaalsContact N-O 3.16Å
84L93.3Very high74.2Confident0 Ų063.1 Ų63.10%034%0.344CS..EExtended strand (participates in β ladder)trans-132.5128.7176.9-17763.1000109.1V68 L70 R172 C173 V181 F183 V226 V228V68-L84 HydrophobicContact CB-CD2 4.02Å; V68-L84 HydrophobicContact CG1-CD1 4.46Å; V68-L84 HydrophobicContact CG1-CD2 4.01Å; V68-L84 HydrophobicContact CG2-CD2 4.25Å; L70-L84 HydrophobicContact CD2-CD1 4.45Å; L84-R172 CarbonylContact O-C 3.58Å; L84-R172 WeakPolarHBondContact O-CA 3.23Å; L84-C173 PolarHBondContact N-O 3.2Å; L84-C173 PolarHBondContact O-N 3Å; L84-V181 HydrophobicContact CD2-CB 4.24Å; L84-V181 HydrophobicContact CD2-CG2 4.03Å; L84-F183 HydrophobicContact CD2-CE2 3.68Å; L84-F183 HydrophobicContact CD2-CZ 3.81Å; L84-F183 HydrophobicContact CG-CE2 4.19Å; L84-F183 HydrophobicContact CG-CZ 3.98Å; L84-V226 HydrophobicContact CD1-CG1 3.63Å; L84-V228 HydrophobicContact CD1-CG2 3.81Å
85E95.1Very high72.8Confident33 Ų3367.6 Ų67.615%0.15436%0.359CS..EExtended strand (participates in β ladder)trans-131.3137.9-174.9-57.2-172.213900110.3R83 Q169 A171 R172 T227 P229R83-E85 WeakPolarHBondContact CD-OE1 3.12Å; R83-E85 HydrophobicContact CG-CG 4.03Å; E85-Q169 PolarHBondContact OE1-NE2 2.99Å; E85-A171 WeakPolarHBondContact CA-O 3.29Å; E85-R172 HydrophobicContact CG-CB 4.24Å; E85-R172 HydrophobicContact CG-CG 4.1Å; E85-R172 WeakPolarHBondContact OE1-CD 3.22Å; E85-T227 PolarHBondContact N-O 3.08Å; E85-T227 PolarHBondContact O-N 2.89Å; E85-P229 HydrophobicContact CG-CG 4.26Å
86I96.1Very high71.3Confident0 Ų063.9 Ų63.90%035%0.351CS..EExtended strand (participates in β ladder)trans-113.4123.2177.2-49.8-61.7000107.9V66 V68 V170 A171 F183 L210 L224 V226V66-I86 HydrophobicContact CG1-CD1 4.35Å; V68-I86 HydrophobicContact CG2-CD1 4.39Å; I86-V170 HydrophobicContact CB-CG2 4.21Å; I86-V170 HydrophobicContact CG2-CG2 3.87Å; I86-V170 WeakPolarHBondContact O-CG2 3.18Å; I86-V170 PolarHBondContact O-N 3.11Å; I86-A171 HydrophobicContact CB-CB 4.19Å; I86-A171 HydrophobicContact CG1-CB 4.27Å; I86-A171 PolarHBondContact N-O 3.34Å; I86-A171 PolarHBondContact O-N 2.63Å; I86-F183 HydrophobicContact CD1-CD2 4.06Å; I86-F183 HydrophobicContact CD1-CE2 3.83Å; I86-F183 HydrophobicContact CD1-CZ 4.27Å; I86-F183 HydrophobicContact CG1-CD1 4.09Å; I86-F183 HydrophobicContact CG1-CD2 3.81Å; I86-F183 HydrophobicContact CG1-CE1 4.05Å; I86-F183 HydrophobicContact CG1-CE2 3.78Å; I86-F183 HydrophobicContact CG1-CG 3.97Å; I86-F183 HydrophobicContact CG1-CZ 3.89Å; I86-L210 HydrophobicContact CG2-CD2 4.47Å; I86-L224 HydrophobicContact CG2-CD1 4.3Å; I86-L224 HydrophobicContact CG2-CD2 4.46Å; I86-L224 HydrophobicContact CG2-CG 4.26Å; I86-V226 HydrophobicContact CD1-CB 4.43Å; I86-V226 HydrophobicContact CD1-CG1 4.15Å; I86-V226 HydrophobicContact CD1-CG2 4.07Å
87S95.1Very high69.8Low8 Ų867.8 Ų67.86%0.05638%0.379CS..EExtended strand (participates in β ladder)trans-118.1150.9170.7-58.20000111K168 R225S87-K168 CarbonylContact C-O 3.58Å; S87-K168 WeakPolarHBondContact CA-O 3.4Å; S87-R225 PolarHBondContact N-O 2.87Å; S87-R225 PolarHBondContact O-N 2.9Å
88T95.1Very high68.7Low2 Ų264.2 Ų64.21%0.01238%0.384CS..EExtended strand (participates in β ladder)trans-127.2151.9176.251.50000110.9L63 F167 K168 V170 S217 V221 Q223L63-T88 HydrophobicContact CD1-CG2 3.64Å; T88-F167 CarbonylContact O-C 3.57Å; T88-F167 WeakPolarHBondContact O-CA 3.4Å; T88-K168 PolarHBondContact N-O 2.9Å; T88-K168 PolarHBondContact O-N 3.01Å; T88-V170 HydrophobicContact CG2-CG1 4.49Å; T88-V170 HydrophobicContact CG2-CG2 3.86Å; T88-V170 WeakPolarHBondContact OG1-CG1 3.44Å; T88-S217 WeakPolarHBondContact CB-O 3Å; T88-S217 PolarHBondContact OG1-O 3.45Å; T88-V221 HydrophobicContact CG2-CG1 3.82Å; T88-V221 HydrophobicContact CG2-CG2 3.99Å; T88-Q223 CarbonylContact C-O 3.5Å; T88-Q223 WeakPolarHBondContact CA-O 3.34Å
89S93.6Very high67.4Low7 Ų766.5 Ų66.55%0.04941%0.408CS..EExtended strand (participates in β ladder)trans-128.5157.3167.2-158.10000111S165 E166 V221 T222 Q223S89-S165 WeakPolarHBondContact OG-CB 3.47Å; S89-E166 WeakPolarHBondContact CB-O 3.41Å; S89-E166 PolarHBondContact OG-O 2.63Å; S89-V221 WeakPolarHBondContact O-CA 3.45Å; S89-T222 PolarHBondContact O-N 3.38Å; S89-T222 PolarHBondContact O-OG1 3.17Å; S89-Q223 PolarHBondContact N-O 3.43Å; S89-Q223 PolarHBondContact O-N 2.96Å
90S88.8Confident66Low31 Ų3166.9 Ų66.922%0.21741%0.41CS..  trans-136.691.6-175.3-690000108.1T92 H216 A220S90-T92 PolarHBondContact O-N 3.46Å; S90-H216 PolarHBondContact OG-O 3.4Å; S90-A220 WeakPolarHBondContact CB-O 3.11Å; S90-A220 PolarHBondContact OG-O 3.03Å
91D78Confident64.6Low56 Ų5673 Ų7330%0.29944%0.437SS..  trans-73.394.3-179.3-56.1-67.5000109.7S93 S165 T222 Q223D91-S93 PolarHBondContact O-N 2.91Å; D91-S165 VanDerWaalsContact OD1-CB 3.28Å; D91-S165 WeakPolarHBondContact OD1-CB 3.08Å; D91-S165 PolarHBondContact OD1-OG 2.85Å; D91-T222 HydrophobicContact CB-CG2 4.22Å; D91-T222 PolarHBondContact N-OG1 3.11Å; D91-T222 WeakPolarHBondContact OD2-CB 3.44Å; D91-T222 PolarHBondContact OD2-OG1 3.32Å; D91-Q223 PolarHBondContact OD2-NE2 3.1Å
92T56.8Low62.6Low120 Ų12075.2 Ų75.274%0.73645%0.448SS*.G310 helixtrans-68.3-11.6-175.648.10000114.4S90 A94S90-T92 PolarHBondContact O-N 3.46Å; T92-A94 VanDerWaalsContact C-N 3.3Å; T92-A94 PolarHBondContact O-N 2.72Å
93S46.9Very low60.5Low102 Ų10285.7 Ų85.771%0.71349%0.487SS*.G310 helixtrans-73.2-13.8-176.2-48.20000114.8D91 L95D91-S93 PolarHBondContact O-N 2.91Å; S93-L95 VanDerWaalsContact C-N 3.3Å; S93-L95 PolarHBondContact O-N 2.64Å
94A36.6Very low57.9Low84 Ų8490.3 Ų90.369%0.69451%0.511SS*.G310 helixtrans-81.74.2-169.800000115.6T92T92-A94 VanDerWaalsContact C-N 3.3Å; T92-A94 PolarHBondContact O-N 2.72Å
95L36.5Very low55Low128 Ų12897.5 Ų97.567%0.6755%0.545SS*.G310 helixtrans-124.133.1-175.2-141.585.4000114.4S93S93-L95 VanDerWaalsContact C-N 3.3Å; S93-L95 PolarHBondContact O-N 2.64Å
96S29.6Very low52.1Low106 Ų106104.4 Ų104.474%0.74158%0.577SS**  trans-90.497.816759.30000111.1
97S29.3Very low49.3Very low98 Ų98108.8 Ų108.869%0.68561%0.608SS**  trans-65.9149.7167.550.40000110.6G99S97-G99 PolarHBondContact O-N 3.06Å
98P38.1Very low46.4Very low142 Ų142116.6 Ų116.692%0.92264%0.641SS**SBendtrans-75.972.4-17631.7-36.2000111.4
99G32.3Very low43.5Very low64 Ų64123.1 Ų123.166%0.6668%0.676SS**SBendtrans-16216.6-17000000117.3S97S97-G99 PolarHBondContact O-N 3.06Å
100Q33.1Very low40.7Very low185 Ų185130.9 Ų130.986%0.86471%0.711SS**  trans-147.228.7177.6-127.4171.542.300116.9H102Q100-H102 PolarHBondContact O-N 2.57Å
101I36.3Very low38.3Very low157 Ų157132.9 Ų132.981%0.80573%0.73SS**  trans-78.565.5171.5-48.5178.5000110.3
102H34.6Very low36.1Very low168 Ų168138.7 Ų138.778%0.77875%0.752SS**SBendtrans-171.378.5157.6-119.3-75.5000112.2Q100Q100-H102 PolarHBondContact O-N 2.57Å
103R35.3Very low35.1Very low232 Ų232140.1 Ų140.188%0.87576%0.756SS**SBendtrans-170.7-13.6157.4-112.4161.5-167.5-107.9-0.8117.4
104Q35.2Very low34.6Very low173 Ų173143.4 Ų143.481%0.80876%0.76SS**SBendtrans-98.90.7-176.2-75.1-165.2-4.600116.4
105E32.8Very low34.7Very low151 Ų151146.4 Ų146.471%0.70676%0.763SS**SBendtrans-83.1-16.2179.3-75.6-176.1120.500114.8
106Q33.4Very low34.7Very low178 Ų178147.7 Ų147.783%0.83277%0.768SS**SBendtrans-81.6-13.3-178-73.5-176.8-29.100114.7
107S39.2Very low34.9Very low93 Ų93151.4 Ų151.465%0.6577%0.771SS**SBendtrans-95.5-12-175.457.80000115.5
108K34.2Very low34.9Very low171 Ų171154.9 Ų154.974%0.74378%0.782SS**SBendtrans-91.5-17.3-179.8-83.1-179174.2174.70114.9
109N32.9Very low34.5Very low139 Ų139160.2 Ų160.274%0.74378%0.784SS**THydrogen-bonded Turntrans-92.810.7-171.7-70.1-3.8000115.3
110Q35.5Very low34.4Very low170 Ų170164.9 Ų164.979%0.79479%0.788SS**THydrogen-bonded Turntrans-109.9-7.9172.9-70-172.6-7.400114.2
111A37.1Very low34.1Very low73 Ų73165 Ų16560%0.60379%0.786SS**SBendtrans-95.7-0.4-171.200000115.4
112K32.7Very low33.6Very low178 Ų178163.2 Ų163.277%0.77479%0.788SS**SBendtrans-106.4-20.4-174.4-86.7-171.3169.4-174.10116.4
113D35.8Very low33.2Very low150 Ų150164.2 Ų164.280%0.80279%0.792SS**THydrogen-bonded Turntrans-89.12.6-174-77.6-31.5000115.8
114Q36.8Very low33.5Very low171 Ų171158.1 Ų158.180%0.79978%0.783SS**THydrogen-bonded Turntrans-108-2.2-177.4-63.9-1666.400115.4
115I38.6Very low33Very low148 Ų148156.4 Ų156.476%0.75978%0.784SS**SBendtrans-106.111-176.5-46.8-176.4000112.2
116I36.8Very low32.7Very low154 Ų154155 Ų15579%0.7979%0.791SS**SBendtrans-122.546.7173.6-41.3-177.5000111
117K32.7Very low32.3Very low185 Ų185150.9 Ų150.980%0.80478%0.782SS**SBendtrans-164.360.9174.1-111.6158.9-170.6172.60113.4
118N28.8Very low31.7Very low171 Ų171157.6 Ų157.691%0.91479%0.793SS**  trans179.592.9148.9-95-22.4000112.1
119R31.6Very low31.4Very low253 Ų253154.2 Ų154.296%0.95579%0.791SS**  trans-150.163164.6-157177.6-173.6-166.70.7112.5
120Q28.6Very low31.2Very low162 Ų162157.3 Ų157.376%0.75779%0.792SS**  trans-139.2140.8166.2-81.1-160.96.500111.5
121K27.3Very low30.8Very low187 Ų187156.7 Ų156.781%0.81379%0.789SS**  trans63100.8160.7-60.8167.5-174176.70118.1
122S26.6Very low30.5Very low121 Ų121158.3 Ų158.385%0.84680%0.796SS**  -167153.1114.353.80000113.5
123H26.1Very low30.5Very low188 Ų188158 Ų15887%0.8780%0.802SS**  trans-158.4164.9175.8-93.7-53.6000105.4
124P41Very low30.2Very low105 Ų105154.1 Ų154.168%0.68280%0.798SS**  cis-135.2-160.3-18.726.8-1.5000112.3
125V24.9Very low30.1Very low137 Ų137153.7 Ų153.783%0.8380%0.802SS**  trans77.6106.4157.8-166.60000119.9
126S25.4Very low30.1Very low122 Ų122155.7 Ų155.785%0.85381%0.808SS**  -165.1-180112.9-162.80000110.1
127S26Very low29.9Very low90 Ų90160 Ų16063%0.62981%0.814SS**  trans-133.3165.9-15771.50000116.9
128R26.5Very low30.4Very low234 Ų234155.5 Ų155.588%0.88381%0.806SS**  trans81.6141.4169.8-59.4172.7-179.5-170.7-1.3116
129S27.2Very low30.9Very low100 Ų100153.8 Ų153.870%0.69980%0.796SS**  cis-166.5159.1-10.451.10000114.6
130R28.9Very low31.3Very low204 Ų204149.3 Ų149.377%0.7779%0.785SS**  trans69.6120.9152.3-77174.2176.7-109.17.9122.1
131Q28.4Very low31.6Very low158 Ų158145.1 Ų145.174%0.73878%0.778SS**  trans69.8142.7134.6-62172-90.200118
132S30.7Very low32.1Very low107 Ų107142.4 Ų142.475%0.74877%0.769SS**  cis-150.8154.93.450.60000114.2
133N31.7Very low32.4Very low170 Ų170143.7 Ų143.791%0.90976%0.761SS**  trans-13.7139.5173.1-53.51.8000121
134G29.5Very low32.7Very low69 Ų69146.1 Ų146.171%0.71176%0.763SS**  trans-175.9136156.300000114.1
135N34.6Very low32.2Very low163 Ų163149.1 Ų149.187%0.87277%0.768SS**  trans67.952.7160.4-57.80.8000120W137N135-W137 VanDerWaalsContact C-N 3.33Å; N135-W137 PolarHBondContact O-N 2.88Å
136Q39.5Very low32.6Very low190 Ų190151.1 Ų151.189%0.88877%0.768SS**THydrogen-bonded Turntrans-73.780.1159.8-175.9-171.9-700111.3
137W32.8Very low32.8Very low244 Ų244154.3 Ų154.392%0.92477%0.769SS**THydrogen-bonded Turntrans-147.2-14.9163.4-94-4.3000114.3N135 I139N135-W137 VanDerWaalsContact C-N 3.33Å; N135-W137 PolarHBondContact O-N 2.88Å; W137-I139 VanDerWaalsContact C-N 3.33Å; W137-I139 PolarHBondContact O-N 2.95Å
138S41.3Very low33.1Very low90 Ų90154 Ų15463%0.62977%0.773SS**THydrogen-bonded Turntrans-73.5-15.8-174.8-165.30000115.7
139I40.7Very low33.2Very low136 Ų136152.1 Ų152.170%0.69777%0.774SS**Hα-helixtrans-84.2-27-169.6-66.6176.7000112.3W137 A141W137-I139 VanDerWaalsContact C-N 3.33Å; W137-I139 PolarHBondContact O-N 2.95Å; I139-A141 VanDerWaalsContact C-N 3.35Å; I139-A141 PolarHBondContact O-N 2.97Å
140Q38.8Very low33.4Very low158 Ų158155.8 Ų155.874%0.73879%0.786SS**Hα-helixtrans-78.1-17.6-174.5-164.4166.92.100113.7
141A36.3Very low33.2Very low74 Ų74148.8 Ų148.861%0.61278%0.777SS**Hα-helixtrans-75.9-35.5176.600000112.8I139 Q143I139-A141 VanDerWaalsContact C-N 3.35Å; I139-A141 PolarHBondContact O-N 2.97Å; A141-Q143 VanDerWaalsContact C-N 3.3Å; A141-Q143 PolarHBondContact O-N 2.8Å
142Q37.1Very low33.3Very low131 Ų131147.1 Ų147.161%0.61278%0.78SS**Hα-helixtrans-75.5-18.3-174.6-61.9-174.8-63.600113W144Q142-W144 VanDerWaalsContact C-N 3.31Å; Q142-W144 PolarHBondContact O-N 3.3Å
143Q32.2Very low33.3Very low148 Ų148148.2 Ų148.269%0.69279%0.785SS**THydrogen-bonded Turntrans-81.6-4.5-178.1-161.6172.8-3.500113.9A141A141-Q143 VanDerWaalsContact C-N 3.3Å; A141-Q143 PolarHBondContact O-N 2.8Å
144W33.2Very low33Very low238 Ų238149.2 Ų149.290%0.90278%0.784SS**THydrogen-bonded Turntrans-105.91.3174.4-79.9-1.3000113.6Q142Q142-W144 VanDerWaalsContact C-N 3.31Å; Q142-W144 PolarHBondContact O-N 3.3Å
145E30.8Very low33.1Very low168 Ų168152.6 Ų152.679%0.78579%0.791SS**SBendtrans-101.4-7.7-175.8-145.5164.8-149.900112.9
146E32.6Very low32.6Very low180 Ų180152.5 Ų152.584%0.84179%0.79SS**SBendtrans-101.9-10.9-173.6-159.3167.4-154.500114
147E30.8Very low31.9Very low188 Ų188153 Ų15388%0.87979%0.79SS**SBendtrans-107.232.1-173.3-152174164.600113.5
148A30.9Very low31.6Very low85 Ų85150.6 Ų150.670%0.70279%0.789SS**  trans-142.947.3-175.400000114.3
149Q29Very low30.8Very low193 Ų193151.8 Ų151.890%0.90280%0.797SS**  trans-135.391.5169-71-167.24.200112.7
150D30.8Very low30.2Very low177 Ų177154.2 Ų154.295%0.94781%0.806SS**  trans-157.7138.9137.4-138.8-27.3000110.8
151G25.7Very low29.6Very low58 Ų58152.5 Ų152.560%0.59881%0.811SS**  trans153129.5-175.600000114.2
152P30.3Very low29.4Very low123 Ų123153.3 Ų153.380%0.79981%0.812SS**  trans-79.5152.5-172.931.9-35.8000113.5
153P30.3Very low29.5Very low129 Ų129152.1 Ų152.184%0.83882%0.819SS**  trans-77.1140.2-172.830.9-35.7000113.1
154Q26.1Very low30.4Very low191 Ų191154.3 Ų154.389%0.89383%0.829SS**  trans-116.3151.7158.4-72.1-162.4-28.200110.6D156Q154-D156 PolarHBondContact O-N 2.84Å
155T31.9Very low32.1Very low140 Ų140144 Ų14486%0.85979%0.793SS**  trans-64109.2-167.445.30000113.8
156D24.2Very low34.7Very low161 Ų161142.2 Ų142.286%0.86178%0.784SS**  trans-78.6144.7163.3-107.9-41.3000111.8Q154Q154-D156 PolarHBondContact O-N 2.84Å
157F24.8Very low37.5Very low200 Ų200135.7 Ų135.788%0.87775%0.753SS**  trans-72.4135.3179-94.2-113.5000111.4S159F157-S159 PolarHBondContact O-N 2.89Å
158Q25.1Very low40.4Very low195 Ų195130.8 Ų130.891%0.91173%0.729SS**  trans-6795.1174-73.6-175-24.300111.7
159S26.3Very low43.4Very low114 Ų114130 Ų13080%0.79771%0.711SS**  trans-75.8129.8159.5-164.10000109.2F157 S161F157-S159 PolarHBondContact O-N 2.89Å; S159-S161 PolarHBondContact O-N 2.89Å; S159-S161 VanDerWaalsContact O-N 3.11Å
160Q27.2Very low46.5Very low188 Ų188120.9 Ų120.988%0.87967%0.668SS**  trans-69.1109.1-170.2-69.9179.8-23.300111.9S162Q160-S162 PolarHBondContact O-N 2.88Å
161S25.8Very low49.5Very low121 Ų121112.4 Ų112.485%0.84662%0.623SS**  trans-72.589.8174.9440000111.4S159 S163S159-S161 PolarHBondContact O-N 2.89Å; S159-S161 VanDerWaalsContact O-N 3.11Å; S161-S163 PolarHBondContact O-N 2.92Å
162S33.1Very low52.7Low92 Ų92114.7 Ų114.764%0.64361%0.614SS**  trans-60.8129.4168.163.90000110.1Q160 E164Q160-S162 PolarHBondContact O-N 2.88Å; S162-E164 PolarHBondContact O-N 3.33Å
163S37.8Very low55.7Low106 Ų106109.1 Ų109.174%0.74158%0.578SS**  trans-51.6120.6177.155.50000111.9S161 S165S161-S163 PolarHBondContact O-N 2.92Å; S163-S165 PolarHBondContact O-N 2.7Å
164E51Low58.5Low194 Ų194106.1 Ų106.191%0.90755%0.552SS**  trans-73.394.3-178.9-66.2-159.1116.300111.8S162S162-E164 PolarHBondContact O-N 3.33Å
165S69.1Low61.4Low20 Ų2097 Ų9714%0.1451%0.51CS..  trans-61.4134.6169.9-59.30000111S89 D91 S163 F167 Q223S89-S165 WeakPolarHBondContact OG-CB 3.47Å; D91-S165 VanDerWaalsContact OD1-CB 3.28Å; D91-S165 WeakPolarHBondContact OD1-CB 3.08Å; D91-S165 PolarHBondContact OD1-OG 2.85Å; S163-S165 PolarHBondContact O-N 2.7Å; S165-F167 WeakPolarHBondContact O-CD2 3.47Å; S165-F167 PolarHBondContact O-N 3Å; S165-Q223 PolarHBondContact OG-NE2 2.89Å
166E86.4Confident63.7Low131 Ų13192.8 Ų92.861%0.61248%0.484SS*.  trans-67.9104.5-175.6-166-157.4164.300111.3S89 K168S89-E166 WeakPolarHBondContact CB-O 3.41Å; S89-E166 PolarHBondContact OG-O 2.63Å; E166-K168 WeakPolarHBondContact OE1-CE 3.39Å; E166-K168 IonicContact OE1-NZ 2.69Å; E166-K168 PolarHBondContact OE1-NZ 2.57Å; E166-K168 WeakPolarHBondContact OE2-CE 3.45Å; E166-K168 IonicContact OE2-NZ 3.29Å; E166-K168 PolarHBondContact OE2-NZ 3.28Å
167F90.7Very high66.3Low44 Ų4492.2 Ų92.219%0.19348%0.476CS..  trans-88115.6-179-81.9-79.8000112.7T54 T88 S165 Q223 R225T54-F167 HydrophobicContact CG2-CE1 4.44Å; T54-F167 HydrophobicContact CG2-CZ 3.86Å; T88-F167 CarbonylContact O-C 3.57Å; T88-F167 WeakPolarHBondContact O-CA 3.4Å; S165-F167 WeakPolarHBondContact O-CD2 3.47Å; S165-F167 PolarHBondContact O-N 3Å; F167-Q223 HydrophobicContact CE1-CB 3.9Å; F167-Q223 HydrophobicContact CZ-CB 3.84Å; F167-R225 HydrophobicContact CD1-CB 3.79Å; F167-R225 HydrophobicContact CE1-CB 3.63Å; F167-R225 HydrophobicContact CZ-CB 4.25Å
168K92Very high69Low85 Ų8585 Ų8537%0.3745%0.445SS..EExtended strand (participates in β ladder)trans-97.6125.9179.9-71.2167.4-177159.60110.6S87 T88 E166 V170S87-K168 CarbonylContact C-O 3.58Å; S87-K168 WeakPolarHBondContact CA-O 3.4Å; T88-K168 PolarHBondContact N-O 2.9Å; T88-K168 PolarHBondContact O-N 3.01Å; E166-K168 WeakPolarHBondContact OE1-CE 3.39Å; E166-K168 IonicContact OE1-NZ 2.69Å; E166-K168 PolarHBondContact OE1-NZ 2.57Å; E166-K168 WeakPolarHBondContact OE2-CE 3.45Å; E166-K168 IonicContact OE2-NZ 3.29Å; E166-K168 PolarHBondContact OE2-NZ 3.28Å; K168-V170 PolarHBondContact O-N 2.81Å
169Q93.6Very high71.9Confident69 Ų6977.4 Ų77.432%0.32241%0.412SS..EExtended strand (participates in β ladder)trans-73.7113.7-179.1-170.3-179.919.600111.3E85 R213E85-Q169 PolarHBondContact OE1-NE2 2.99Å; Q169-R213 WeakPolarHBondContact O-CG 3.34Å; Q169-R213 PolarHBondContact O-NE 3.32Å
170V93.5Very high74.9Confident0 Ų073.8 Ų73.80%038%0.383CS..EExtended strand (participates in β ladder)trans-103.9-15.3-178.3-65.60000113.5I86 T88 K168 L210 W211 L218I86-V170 HydrophobicContact CB-CG2 4.21Å; I86-V170 HydrophobicContact CG2-CG2 3.87Å; I86-V170 WeakPolarHBondContact O-CG2 3.18Å; I86-V170 PolarHBondContact O-N 3.11Å; T88-V170 HydrophobicContact CG2-CG1 4.49Å; T88-V170 HydrophobicContact CG2-CG2 3.86Å; T88-V170 WeakPolarHBondContact OG1-CG1 3.44Å; K168-V170 PolarHBondContact O-N 2.81Å; V170-L210 HydrophobicContact CB-CD2 4.47Å; V170-L210 HydrophobicContact CG2-CD2 3.93Å; V170-W211 WeakPolarHBondContact CB-O 3.49Å; V170-W211 WeakPolarHBondContact CG1-O 3.34Å; V170-W211 WeakPolarHBondContact O-CB 3.38Å; V170-W211 PolarHBondContact O-N 3.46Å; V170-L218 HydrophobicContact CB-CD2 3.99Å; V170-L218 HydrophobicContact CG1-CD2 3.96Å; V170-L218 HydrophobicContact CG1-CG 4.42Å; V170-L218 HydrophobicContact CG2-CD2 4.07Å
171A93.9Very high78Confident0 Ų065 Ų650%034%0.341CS..EExtended strand (participates in β ladder)trans-154.5162166.700000113.8E85 I86 F183 L210E85-A171 WeakPolarHBondContact CA-O 3.29Å; I86-A171 HydrophobicContact CB-CB 4.19Å; I86-A171 HydrophobicContact CG1-CB 4.27Å; I86-A171 PolarHBondContact N-O 3.34Å; I86-A171 PolarHBondContact O-N 2.63Å; A171-F183 HydrophobicContact CB-CD1 3.4Å; A171-F183 HydrophobicContact CB-CE1 3.67Å; A171-F183 HydrophobicContact CB-CG 4.39Å; A171-L210 HydrophobicContact CB-CD2 4.05Å
172R93.7Very high81.2Confident106 Ų10659.2 Ų59.240%0.430%0.301SS..EExtended strand (participates in β ladder)trans-143.1142.4167.4173173.7159.7-172.6-11.8109.7R83 L84 E85 E174 W211R83-R172 HydrophobicContact CG-CG 4.22Å; L84-R172 CarbonylContact O-C 3.58Å; L84-R172 WeakPolarHBondContact O-CA 3.23Å; E85-R172 HydrophobicContact CG-CB 4.24Å; E85-R172 HydrophobicContact CG-CG 4.1Å; E85-R172 WeakPolarHBondContact OE1-CD 3.22Å; R172-E174 IonicContact CZ-OE1 3.68Å; R172-E174 IonicContact NE-OE1 3.23Å; R172-E174 PolarHBondContact NE-OE1 2.8Å; R172-E174 IonicContact NH2-OE1 3.83Å; R172-E174 PolarHBondContact NH2-OE1 2.67Å; R172-W211 HydrophobicContact CB-CH2 4.03Å; R172-W211 HydrophobicContact CB-CZ3 4.31Å
173C92.4Very high84.1Confident6 Ų654.9 Ų54.94%0.04127%0.271CS..EExtended strand (participates in β ladder)trans-134.9155.8171-162.30000109.6R83 L84 V181 F183 V208R83-C173 WeakPolarHBondContact CA-O 3.37Å; L84-C173 PolarHBondContact N-O 3.2Å; L84-C173 PolarHBondContact O-N 3Å; C173-V181 HydrophobicContact CB-CG1 4.37Å; C173-F183 HydrophobicContact CB-CE1 4Å; C173-F183 HydrophobicContact CB-CZ 3.95Å; C173-V208 HydrophobicContact CB-CG2 4.07Å
174E90.5Very high86.7Confident66 Ų6651.6 Ų51.631%0.30825%0.248SC..EExtended strand (participates in β ladder)trans-134.4119.9174.8-66.4-176.5166.600108.3K82 R83 R172 R206K82-E174 WeakPolarHBondContact O-CA 3.41Å; R83-E174 HydrophobicContact CB-CG 4.38Å; R83-E174 HydrophobicContact CG-CG 4.12Å; R83-E174 IonicContact CZ-OE1 2.69Å; R83-E174 IonicContact NE-OE1 2.72Å; R83-E174 PolarHBondContact NE-OE1 2.78Å; R83-E174 IonicContact NH2-OE1 3.31Å; R83-E174 PolarHBondContact NH2-OE1 3Å; R172-E174 IonicContact CZ-OE1 3.68Å; R172-E174 IonicContact NE-OE1 3.23Å; R172-E174 PolarHBondContact NE-OE1 2.8Å; R172-E174 IonicContact NH2-OE1 3.83Å; R172-E174 PolarHBondContact NH2-OE1 2.67Å; E174-R206 VanDerWaalsContact O-CZ 3.32Å; E174-R206 PolarHBondContact O-NH1 3.45Å; E174-R206 PolarHBondContact O-NH2 2.95Å
175L86.2Confident88.5Confident0 Ų043.5 Ų43.50%021%0.21CC..EExtended strand (participates in β ladder)trans-112.7140.8-164.5-56.9166.5000110.4L70 H81 K82 E178 V181L70-L175 HydrophobicContact CD1-CD1 3.61Å; H81-L175 WeakPolarHBondContact CA-O 3.47Å; K82-L175 HydrophobicContact CB-CB 4.47Å; K82-L175 PolarHBondContact N-O 2.65Å; K82-L175 PolarHBondContact O-N 2.92Å; L175-E178 HydrophobicContact CD2-CB 4.24Å; L175-V181 HydrophobicContact CD1-CG2 3.67Å; L175-V181 HydrophobicContact CD2-CG2 3.48Å; L175-V181 VanDerWaalsContact CD2-CG2 3.48Å; L175-V181 HydrophobicContact CG-CG2 4.16Å
176T80.3Confident89Confident50 Ų5045.8 Ų45.831%0.30723%0.226SC..SBendtrans-119.7-35.3-176.637.70000112.8W73 G78 H81 E178W73-T176 WeakPolarHBondContact CH2-O 3.48Å; W73-T176 WeakPolarHBondContact CZ2-O 3.41Å; G78-T176 WeakPolarHBondContact CA-O 3.36Å; H81-T176 WeakPolarHBondContact CE1-CG2 3.33Å; H81-T176 WeakPolarHBondContact ND1-CG2 3.16Å; T176-E178 PolarHBondContact N-OE2 3.19Å; T176-E178 PolarHBondContact OG1-OE2 3.49Å
177E78Confident88.7Confident149 Ų14944.6 Ų44.670%0.69622%0.224SC*.SBendtrans-139.2-27176.5-63.6-171.9169.300111.2W73 T179W73-E177 VanDerWaalsContact NE1-C 3.3Å; W73-E177 PolarHBondContact NE1-O 3.47Å; E177-T179 PolarHBondContact O-N 3.34Å
178E82.3Confident88.4Confident48 Ų4843.9 Ų43.922%0.22422%0.221CC..  trans-70123.8-175.2-34.792.2112.600111.3L175 T176 R206L175-E178 HydrophobicContact CD2-CB 4.24Å; T176-E178 PolarHBondContact N-OE2 3.19Å; T176-E178 PolarHBondContact OG1-OE2 3.49Å; E178-R206 HydrophobicContact CG-CB 4.46Å; E178-R206 WeakPolarHBondContact OE1-CD 3.45Å; E178-R206 IonicContact OE1-CZ 3.14Å; E178-R206 IonicContact OE1-NE 2.75Å; E178-R206 IonicContact OE1-NH1 2.75Å; E178-R206 PolarHBondContact OE1-NH1 3.4Å
179T85.6Confident87.9Confident37 Ų3749 Ų4923%0.22724%0.238CC..  trans-87.6-17.7173.152.70000113E69 L70 E177E69-T179 CarbonylContact C-O 3.22Å; E69-T179 WeakPolarHBondContact CA-O 3.45Å; L70-T179 PolarHBondContact N-O 3.18Å; E177-T179 PolarHBondContact O-N 3.34Å
180Q90.4Very high87.4Confident38 Ų3848.3 Ų48.318%0.17824%0.24CC..EExtended strand (participates in β ladder)trans-119.1133.1-171.7-68178.47.600112V68 E69 S205 R206V68-Q180 CarbonylContact O-C 3.57Å; V68-Q180 WeakPolarHBondContact O-CA 2.89Å; E69-Q180 HydrophobicContact CB-CG 4.03Å; E69-Q180 HydrophobicContact CG-CG 3.69Å; E69-Q180 PolarHBondContact OE1-NE2 2.84Å; Q180-S205 WeakPolarHBondContact O-CA 3.44Å; Q180-R206 PolarHBondContact O-N 3.41Å
181V92.9Very high86.9Confident2 Ų250.8 Ų50.81%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-134.8132.6-179.1-167.40000110.6D67 V68 L84 C173 L175 F183 R206 V208D67-V181 WeakPolarHBondContact CA-O 3.26Å; V68-V181 PolarHBondContact N-O 2.89Å; V68-V181 PolarHBondContact O-N 2.77Å; L84-V181 HydrophobicContact CD2-CB 4.24Å; L84-V181 HydrophobicContact CD2-CG2 4.03Å; C173-V181 HydrophobicContact CB-CG1 4.37Å; L175-V181 HydrophobicContact CD1-CG2 3.67Å; L175-V181 HydrophobicContact CD2-CG2 3.48Å; L175-V181 VanDerWaalsContact CD2-CG2 3.48Å; L175-V181 HydrophobicContact CG-CG2 4.16Å; V181-F183 HydrophobicContact CB-CE2 3.96Å; V181-F183 HydrophobicContact CB-CZ 4.4Å; V181-F183 HydrophobicContact CG1-CD2 3.99Å; V181-F183 HydrophobicContact CG1-CE1 4.16Å; V181-F183 HydrophobicContact CG1-CE2 3.53Å; V181-F183 HydrophobicContact CG1-CG 4.48Å; V181-F183 HydrophobicContact CG1-CZ 3.64Å; V181-R206 CarbonylContact C-O 3.59Å; V181-R206 WeakPolarHBondContact CA-O 3.3Å; V181-R206 WeakPolarHBondContact CG1-O 3.44Å; V181-V208 HydrophobicContact CG1-CG2 3.75Å
182S93.1Very high86.1Confident1 Ų154.5 Ų54.51%0.00728%0.279CS..EExtended strand (participates in β ladder)trans-113.8106.3175.9142.10000109.4R65 D67 R206 Q207 V208R65-S182 WeakPolarHBondContact CD-OG 3.36Å; D67-S182 WeakPolarHBondContact OD1-CB 3.41Å; S182-R206 PolarHBondContact N-O 3.26Å; S182-Q207 WeakPolarHBondContact O-CA 3.21Å; S182-V208 PolarHBondContact O-N 3.33Å
183F93.5Very high85.1Confident0 Ų051.7 Ų51.70%028%0.275CS..EExtended strand (participates in β ladder)trans-90110.2175.2-59.6-91.8000110.4R65 V66 V68 L84 I86 A171 C173 V181 V208 L210R65-F183 CarbonylContact C-O 3.6Å; R65-F183 VanDerWaalsContact CA-O 3.23Å; R65-F183 WeakPolarHBondContact CA-O 3.47Å; R65-F183 WeakPolarHBondContact CG-O 3.47Å; V66-F183 HydrophobicContact CB-CB 4.24Å; V66-F183 HydrophobicContact CB-CD2 4.49Å; V66-F183 PolarHBondContact N-O 2.96Å; V66-F183 PolarHBondContact O-N 2.95Å; V68-F183 HydrophobicContact CG2-CD2 4.19Å; V68-F183 HydrophobicContact CG2-CE2 3.97Å; L84-F183 HydrophobicContact CD2-CE2 3.68Å; L84-F183 HydrophobicContact CD2-CZ 3.81Å; L84-F183 HydrophobicContact CG-CE2 4.19Å; L84-F183 HydrophobicContact CG-CZ 3.98Å; I86-F183 HydrophobicContact CD1-CD2 4.06Å; I86-F183 HydrophobicContact CD1-CE2 3.83Å; I86-F183 HydrophobicContact CD1-CZ 4.27Å; I86-F183 HydrophobicContact CG1-CD1 4.09Å; I86-F183 HydrophobicContact CG1-CD2 3.81Å; I86-F183 HydrophobicContact CG1-CE1 4.05Å; I86-F183 HydrophobicContact CG1-CE2 3.78Å; I86-F183 HydrophobicContact CG1-CG 3.97Å; I86-F183 HydrophobicContact CG1-CZ 3.89Å; A171-F183 HydrophobicContact CB-CD1 3.4Å; A171-F183 HydrophobicContact CB-CE1 3.67Å; A171-F183 HydrophobicContact CB-CG 4.39Å; C173-F183 HydrophobicContact CB-CE1 4Å; C173-F183 HydrophobicContact CB-CZ 3.95Å; V181-F183 HydrophobicContact CB-CE2 3.96Å; V181-F183 HydrophobicContact CB-CZ 4.4Å; V181-F183 HydrophobicContact CG1-CD2 3.99Å; V181-F183 HydrophobicContact CG1-CE1 4.16Å; V181-F183 HydrophobicContact CG1-CE2 3.53Å; V181-F183 HydrophobicContact CG1-CG 4.48Å; V181-F183 HydrophobicContact CG1-CZ 3.64Å; F183-V208 CarbonylContact C-O 3.6Å; F183-V208 VanDerWaalsContact CA-O 3.24Å; F183-V208 WeakPolarHBondContact CA-O 3.26Å; F183-V208 HydrophobicContact CD1-CB 3.6Å; F183-V208 HydrophobicContact CD1-CG1 3.64Å; F183-V208 HydrophobicContact CD1-CG2 4.33Å; F183-V208 HydrophobicContact CE1-CB 3.93Å; F183-V208 HydrophobicContact CE1-CG1 3.8Å; F183-V208 HydrophobicContact CE1-CG2 4.22Å; F183-V208 HydrophobicContact CG-CB 4.38Å; F183-L210 HydrophobicContact CB-CD1 4.47Å; F183-L210 HydrophobicContact CB-CD2 3.88Å; F183-L210 HydrophobicContact CB-CG 3.93Å; F183-L210 WeakPolarHBondContact O-CD1 3.42Å
184S91.2Very high84.4Confident38 Ų3851.9 Ų51.927%0.26628%0.275SS..EExtended strand (participates in β ladder)trans-110.4141.1-174640000113.8V208 K209 L210S184-V208 PolarHBondContact N-O 2.97Å; S184-K209 WeakPolarHBondContact O-CA 3.37Å; S184-L210 PolarHBondContact O-N 3.19Å
185H89.6Confident83.4Confident24 Ų2454 Ų5411%0.11129%0.288CS..  trans-94.598.8177.8177.2-156.9000110.3L63 C64 N187 F188 L210 L218L63-H185 WeakPolarHBondContact O-CB 3.21Å; L63-H185 PolarHBondContact O-ND1 2.92Å; C64-H185 PolarHBondContact O-N 2.8Å; H185-N187 PolarHBondContact O-N 3.16Å; H185-F188 HydrophobicContact CB-CB 4.3Å; H185-F188 WeakPolarHBondContact O-CB 3.34Å; H185-F188 PolarHBondContact O-N 3.31Å; H185-L210 HydrophobicContact CB-CB 4.26Å; H185-L210 HydrophobicContact CB-CD1 3.98Å; H185-L218 HydrophobicContact CB-CD1 4.49Å
186S80.4Confident82.6Confident68 Ų6857.2 Ų57.248%0.47631%0.31SS..THydrogen-bonded Turntrans-60.4-16.1-172.167.80000116K209S186-K209 WeakPolarHBondContact OG-CE 3.39Å; S186-K209 PolarHBondContact OG-NZ 2.87Å
187N79.7Confident82.1Confident106 Ų10658.1 Ų58.157%0.56732%0.323SS*.THydrogen-bonded Turntrans-108.14-175.7-59.39.9000112H185H185-N187 PolarHBondContact O-N 3.16Å
188F83.6Confident82Confident28 Ų2852.6 Ų52.612%0.12330%0.3CS..  trans-59.5137.1175.8-177.7-92.8000110.9V2 E62 L63 C64 H185 P190 Q247V2-F188 HydrophobicContact CG1-CE1 3.68Å; V2-F188 HydrophobicContact CG1-CZ 3.65Å; E62-F188 HydrophobicContact CB-CE2 4.46Å; E62-F188 HydrophobicContact CG-CD2 3.92Å; E62-F188 HydrophobicContact CG-CE2 3.86Å; L63-F188 VanDerWaalsContact O-CD2 3.3Å; L63-F188 WeakPolarHBondContact O-CD2 3.4Å; C64-F188 HydrophobicContact CB-CD1 3.84Å; C64-F188 HydrophobicContact CB-CD2 3.72Å; C64-F188 HydrophobicContact CB-CE1 3.84Å; C64-F188 HydrophobicContact CB-CE2 3.7Å; C64-F188 HydrophobicContact CB-CG 3.78Å; C64-F188 HydrophobicContact CB-CZ 3.77Å; C64-F188 WeakPolarHBondContact SG-CD1 3.28Å; H185-F188 HydrophobicContact CB-CB 4.3Å; H185-F188 WeakPolarHBondContact O-CB 3.34Å; H185-F188 PolarHBondContact O-N 3.31Å; F188-P190 HydrophobicContact CD1-CG 4.35Å; F188-P190 HydrophobicContact CE1-CB 4.4Å; F188-P190 HydrophobicContact CE1-CG 3.92Å; F188-Q247 HydrophobicContact CE2-CG 3.88Å; F188-Q247 HydrophobicContact CZ-CB 4.3Å; F188-Q247 VanDerWaalsContact CZ-CD 3.42Å; F188-Q247 HydrophobicContact CZ-CG 3.78Å
189R82.2Confident81.8Confident192 Ų19252.9 Ų52.973%0.72531%0.306SS*.  trans-128.1115.3173.8-66.2-172.6-179.2-168.8-0.3109.3Q247R189-Q247 PolarHBondContact O-NE2 3.28Å
190P82.6Confident81.4Confident56 Ų5656.6 Ų56.636%0.36433%0.33SS..  trans-51.9142170-22.831.5000111F188F188-P190 HydrophobicContact CD1-CG 4.35Å; F188-P190 HydrophobicContact CE1-CB 4.4Å; F188-P190 HydrophobicContact CE1-CG 3.92Å
191R84Confident80.8Confident52 Ų5256.6 Ų56.620%0.19633%0.334CS..  trans-121.4154.2172.5-75.3-171.2-66.7-75.70.9109.8E62 P193 F194 Q247 P248E62-R191 IonicContact OE1-NH1 3.77Å; E62-R191 IonicContact OE2-CZ 3.1Å; E62-R191 IonicContact OE2-NH1 2.64Å; E62-R191 PolarHBondContact OE2-NH1 2.83Å; E62-R191 IonicContact OE2-NH2 2.72Å; E62-R191 PolarHBondContact OE2-NH2 2.7Å; R191-P193 CarbonylContact O-C 3.53Å; R191-F194 CarbonylContact O-C 3.56Å; R191-F194 VanDerWaalsContact O-CA 3.27Å; R191-F194 WeakPolarHBondContact O-CA 3.3Å; R191-F194 PolarHBondContact O-N 2.6Å; R191-Q247 VanDerWaalsContact CZ-NE2 3.34Å; R191-Q247 VanDerWaalsContact NH1-NE2 3.15Å; R191-P248 PolarHBondContact NH2-O 2.87Å
192A75.1Confident80Confident77 Ų7759.2 Ų59.264%0.63635%0.351SS*.SBendtrans-57.3138.9163.700000110L195A192-L195 HydrophobicContact CB-CD1 4.49Å; A192-L195 HydrophobicContact CB-CG 4.46Å
193P73.6Confident78.9Confident48 Ų4864.8 Ų64.831%0.31240%0.397SS..SBendcis-80-16-0.333-37.2000114.9R191 L195 V257 Q261R191-P193 CarbonylContact O-C 3.53Å; P193-L195 VanDerWaalsContact C-N 3.28Å; P193-L195 PolarHBondContact O-N 2.83Å; P193-V257 HydrophobicContact CG-CG1 4.38Å; P193-Q261 HydrophobicContact CB-CG 4.18Å; P193-Q261 HydrophobicContact CG-CB 4.08Å; P193-Q261 HydrophobicContact CG-CG 4.12Å
194F78.3Confident77.9Confident9 Ų969.1 Ų69.14%0.03943%0.427CS..  trans-78.351-173.2-47.4-76.7000115M1 V3 R191 Q247 P248 V257 I260 Q261M1-F194 WeakPolarHBondContact O-CD1 3.3Å; V3-F194 HydrophobicContact CG1-CD1 3.9Å; V3-F194 HydrophobicContact CG1-CE1 3.99Å; R191-F194 CarbonylContact O-C 3.56Å; R191-F194 VanDerWaalsContact O-CA 3.27Å; R191-F194 WeakPolarHBondContact O-CA 3.3Å; R191-F194 PolarHBondContact O-N 2.6Å; F194-Q247 HydrophobicContact CB-CB 4.16Å; F194-Q247 HydrophobicContact CD2-CB 4.19Å; F194-Q247 HydrophobicContact CG-CB 4.3Å; F194-P248 HydrophobicContact CD2-CG 4.33Å; F194-P248 HydrophobicContact CE2-CG 3.57Å; F194-P248 HydrophobicContact CZ-CG 3.88Å; F194-V257 HydrophobicContact CE2-CG1 4.06Å; F194-I260 HydrophobicContact CE1-CG2 3.93Å; F194-I260 HydrophobicContact CZ-CB 4.27Å; F194-I260 HydrophobicContact CZ-CG2 3.68Å; F194-Q261 HydrophobicContact CZ-CB 4.44Å
195L68.4Low77.4Confident112 Ų11268 Ų6859%0.58642%0.419SS*.  trans-75.1-29.4-172.6-69.3174.2000115.7A192 P193A192-L195 HydrophobicContact CB-CD1 4.49Å; A192-L195 HydrophobicContact CB-CG 4.46Å; P193-L195 VanDerWaalsContact C-N 3.28Å; P193-L195 PolarHBondContact O-N 2.83Å
196S69.3Low77.3Confident66 Ų6671.3 Ų71.346%0.46243%0.431SS..SBendtrans-71.5134.5-177.214.50000113M1 V2M1-S196 CarbonylContact C-O 3.14Å; M1-S196 WeakPolarHBondContact CA-OG 3.47Å; M1-S196 PolarHBondContact N-OG 3.44Å; V2-S196 PolarHBondContact N-O 2.79Å
197A70.2Confident77.8Confident69 Ų6974.1 Ų74.157%0.5744%0.437SS*.PPolyproline II helixtrans-60.7158.1179.800000113.3
198P75.3Confident78.3Confident33 Ų3370.2 Ų70.221%0.21442%0.417CS..PPolyproline II helixtrans-69153.2173.829.2-33.3000110.6V2 W245V2-P198 HydrophobicContact CG2-CB 3.59Å; V2-P198 HydrophobicContact CG2-CG 4.05Å; V2-P198 VanDerWaalsContact CG2-N 3.31Å; P198-W245 HydrophobicContact CB-CB 4.34Å; P198-W245 HydrophobicContact CB-CD2 4.18Å; P198-W245 HydrophobicContact CB-CE3 4.29Å; P198-W245 HydrophobicContact CB-CG 4.2Å
199P79.1Confident78.8Confident54 Ų5474.2 Ų74.235%0.35143%0.434SS..PPolyproline II helixtrans-52.5147169.7-24.634.6000111.1R65 W245R65-P199 VanDerWaalsContact CZ-O 3.27Å; R65-P199 PolarHBondContact NH1-O 2.75Å; R65-P199 PolarHBondContact NH2-O 3.27Å; P199-W245 HydrophobicContact CG-CH2 3.65Å; P199-W245 HydrophobicContact CG-CZ2 4.15Å; P199-W245 HydrophobicContact CG-CZ3 4.08Å
200P77.8Confident79.2Confident115 Ų11565.1 Ų65.175%0.74740%0.4SS*.PPolyproline II helixtrans-55.8145.3-178.523.7-33.9000111.5
201P78Confident79.6Confident38 Ų3867.2 Ų67.225%0.24740%0.4CS..PPolyproline II helixtrans-64.3152.9175.330.1-35.1000110.1
202P75.9Confident79.6Confident57 Ų5768.3 Ų68.337%0.3742%0.416SS..PPolyproline II helixtrans-56.2141.8-178.4-23.832.1000112.6S204 S205P202-S204 PolarHBondContact O-N 2.97Å; P202-S204 VanDerWaalsContact O-N 3.12Å; P202-S205 VanDerWaalsContact O-CB 3.32Å; P202-S205 WeakPolarHBondContact O-CB 3.4Å; P202-S205 PolarHBondContact O-N 3.31Å; P202-S205 PolarHBondContact O-OG 3.32Å
203A69.3Low79.9Confident118 Ų11872 Ų7298%0.97541%0.414SS*.THydrogen-bonded Turntrans-60.5-26.7-172.800000114.3
204S72.7Confident80Confident91 Ų9171.9 Ų71.964%0.63642%0.42SS*.THydrogen-bonded Turntrans-96.95.6175.552.20000114P202P202-S204 PolarHBondContact O-N 2.97Å; P202-S204 VanDerWaalsContact O-N 3.12Å
205S81.5Confident79.6Confident14 Ų1478.3 Ų78.310%0.09845%0.454CS..PPolyproline II helixtrans-82.8134-177.169.20000112.7Q180 P202 Q207Q180-S205 WeakPolarHBondContact O-CA 3.44Å; P202-S205 VanDerWaalsContact O-CB 3.32Å; P202-S205 WeakPolarHBondContact O-CB 3.4Å; P202-S205 PolarHBondContact O-N 3.31Å; P202-S205 PolarHBondContact O-OG 3.32Å; S205-Q207 PolarHBondContact O-N 3.29Å
206R87.2Confident80.1Confident94 Ų9477.5 Ų77.536%0.35545%0.447SS..EExtended strand (participates in β ladder)trans-74.9121.2172.8178.4158.1166.9-163.4-9.7110E174 E178 Q180 V181 S182 V208E174-R206 VanDerWaalsContact O-CZ 3.32Å; E174-R206 PolarHBondContact O-NH1 3.45Å; E174-R206 PolarHBondContact O-NH2 2.95Å; E178-R206 HydrophobicContact CG-CB 4.46Å; E178-R206 WeakPolarHBondContact OE1-CD 3.45Å; E178-R206 IonicContact OE1-CZ 3.14Å; E178-R206 IonicContact OE1-NE 2.75Å; E178-R206 IonicContact OE1-NH1 2.75Å; E178-R206 PolarHBondContact OE1-NH1 3.4Å; Q180-R206 PolarHBondContact O-N 3.41Å; V181-R206 CarbonylContact C-O 3.59Å; V181-R206 WeakPolarHBondContact CA-O 3.3Å; V181-R206 WeakPolarHBondContact CG1-O 3.44Å; S182-R206 PolarHBondContact N-O 3.26Å; R206-V208 HydrophobicContact CG-CG2 4.43Å
207Q89.3Confident80.9Confident128 Ų12874.7 Ų74.760%0.59843%0.428SS*.EExtended strand (participates in β ladder)trans-84.6136.8178-60.9-170.930.100111.4S182 S205S182-Q207 WeakPolarHBondContact O-CA 3.21Å; S205-Q207 PolarHBondContact O-N 3.29Å
208V92.2Very high81.8Confident24 Ų2471.6 Ų71.615%0.14540%0.402CS..EExtended strand (participates in β ladder)trans-137145.3-179.4-176.90000108.6C173 V181 S182 F183 S184 R206C173-V208 HydrophobicContact CB-CG2 4.07Å; V181-V208 HydrophobicContact CG1-CG2 3.75Å; S182-V208 PolarHBondContact O-N 3.33Å; F183-V208 CarbonylContact C-O 3.6Å; F183-V208 VanDerWaalsContact CA-O 3.24Å; F183-V208 WeakPolarHBondContact CA-O 3.26Å; F183-V208 HydrophobicContact CD1-CB 3.6Å; F183-V208 HydrophobicContact CD1-CG1 3.64Å; F183-V208 HydrophobicContact CD1-CG2 4.33Å; F183-V208 HydrophobicContact CE1-CB 3.93Å; F183-V208 HydrophobicContact CE1-CG1 3.8Å; F183-V208 HydrophobicContact CE1-CG2 4.22Å; F183-V208 HydrophobicContact CG-CB 4.38Å; S184-V208 PolarHBondContact N-O 2.97Å; R206-V208 HydrophobicContact CG-CG2 4.43Å
209K92.2Very high82.4Confident112 Ų11271.4 Ų71.449%0.48740%0.401SS..EExtended strand (participates in β ladder)trans-87.8131.6178176.9163.9170.2162.70111.8S184 S186S184-K209 WeakPolarHBondContact O-CA 3.37Å; S186-K209 WeakPolarHBondContact OG-CE 3.39Å; S186-K209 PolarHBondContact OG-NZ 2.87Å
210L91.3Very high83Confident1 Ų169.4 Ų69.41%0.00539%0.389CS..PPolyproline II helixtrans-72.1129.9164.9-70.3166.7000110I86 V170 A171 F183 S184 H185 L218I86-L210 HydrophobicContact CG2-CD2 4.47Å; V170-L210 HydrophobicContact CB-CD2 4.47Å; V170-L210 HydrophobicContact CG2-CD2 3.93Å; A171-L210 HydrophobicContact CB-CD2 4.05Å; F183-L210 HydrophobicContact CB-CD1 4.47Å; F183-L210 HydrophobicContact CB-CD2 3.88Å; F183-L210 HydrophobicContact CB-CG 3.93Å; F183-L210 WeakPolarHBondContact O-CD1 3.42Å; S184-L210 PolarHBondContact O-N 3.19Å; H185-L210 HydrophobicContact CB-CB 4.26Å; H185-L210 HydrophobicContact CB-CD1 3.98Å; L210-L218 HydrophobicContact CB-CD1 3.9Å; L210-L218 HydrophobicContact CB-CD2 4.2Å; L210-L218 HydrophobicContact CD1-CD2 4.37Å; L210-L218 HydrophobicContact CD2-CD2 4.43Å
211W91.2Very high83.7Confident99 Ų9963.9 Ų63.938%0.37535%0.354SS..PPolyproline II helixtrans-95.5122178.7-50.4-46.7000111V170 R172 R213V170-W211 WeakPolarHBondContact CB-O 3.49Å; V170-W211 WeakPolarHBondContact CG1-O 3.34Å; V170-W211 WeakPolarHBondContact O-CB 3.38Å; V170-W211 PolarHBondContact O-N 3.46Å; R172-W211 HydrophobicContact CB-CH2 4.03Å; R172-W211 HydrophobicContact CB-CZ3 4.31Å; W211-R213 PolarHBondContact O-N 3.29Å
212S84.3Confident84.3Confident75 Ų7563 Ų6352%0.52435%0.348SS..  trans-71.4110.1170.654.20000110.6G214S212-G214 VanDerWaalsContact C-N 3.32Å; S212-G214 PolarHBondContact O-N 3.33Å
213R80.1Confident85.2Confident156 Ų15661.1 Ų61.159%0.58933%0.334SS*.  trans-95.939.8175.9-65.2-65.3-168.2173.5-0.8112.3Q169 W211 S217Q169-R213 WeakPolarHBondContact O-CG 3.34Å; Q169-R213 PolarHBondContact O-NE 3.32Å; W211-R213 PolarHBondContact O-N 3.29Å; R213-S217 PolarHBondContact N-OG 3.04Å
214G76.1Confident86.5Confident44 Ų4455.5 Ų55.545%0.45429%0.287SS..SBendtrans114.9164.4-173.100000112.8S212 H216 S217S212-G214 VanDerWaalsContact C-N 3.32Å; S212-G214 PolarHBondContact O-N 3.33Å; G214-H216 PolarHBondContact O-N 3.3Å; G214-S217 WeakPolarHBondContact O-CB 3.36Å; G214-S217 PolarHBondContact O-N 3.26Å; G214-S217 VanDerWaalsContact O-N 3.15Å; G214-S217 PolarHBondContact O-OG 2.69Å
215L69.5Low87.6Confident144 Ų14454.3 Ų54.375%0.75427%0.269SS*.THydrogen-bonded Turntrans-53.6-46-163.8-167.868.1000113.9S219L215-S219 PolarHBondContact O-OG 2.93Å
216H79.4Confident88.3Confident95 Ų9553.8 Ų53.844%0.4427%0.265SS..THydrogen-bonded Turntrans-81.7-20.7-175.3-57-65.9000114.4S90 G214 L218 S219 A220S90-H216 PolarHBondContact OG-O 3.4Å; G214-H216 PolarHBondContact O-N 3.3Å; H216-L218 PolarHBondContact O-N 3.04Å; H216-S219 WeakPolarHBondContact CA-OG 3.49Å; H216-S219 PolarHBondContact O-N 2.88Å; H216-A220 HydrophobicContact CB-CB 4.25Å; H216-A220 PolarHBondContact O-N 2.95Å
217S85.9Confident88.6Confident8 Ų849.6 Ų49.66%0.05625%0.25CC..THydrogen-bonded Turntrans-56.8-23.1-168.262.70000115.8T88 R213 G214 V221T88-S217 WeakPolarHBondContact CB-O 3Å; T88-S217 PolarHBondContact OG1-O 3.45Å; R213-S217 PolarHBondContact N-OG 3.04Å; G214-S217 WeakPolarHBondContact O-CB 3.36Å; G214-S217 PolarHBondContact O-N 3.26Å; G214-S217 VanDerWaalsContact O-N 3.15Å; G214-S217 PolarHBondContact O-OG 2.69Å; S217-V221 WeakPolarHBondContact O-CG2 3.47Å
218L89Confident88.8Confident4 Ų443.9 Ų43.92%0.02122%0.224CC..THydrogen-bonded Turntrans-128.73.8173.4-63.1176.1000112.8E62 L63 V170 H185 L210 H216E62-L218 CarbonylContact C-O 3.54Å; E62-L218 WeakPolarHBondContact CA-O 3.42Å; L63-L218 HydrophobicContact CD1-CD2 3.99Å; L63-L218 PolarHBondContact N-O 3.05Å; V170-L218 HydrophobicContact CB-CD2 3.99Å; V170-L218 HydrophobicContact CG1-CD2 3.96Å; V170-L218 HydrophobicContact CG1-CG 4.42Å; V170-L218 HydrophobicContact CG2-CD2 4.07Å; H185-L218 HydrophobicContact CB-CD1 4.49Å; L210-L218 HydrophobicContact CB-CD1 3.9Å; L210-L218 HydrophobicContact CB-CD2 4.2Å; L210-L218 HydrophobicContact CD1-CD2 4.37Å; L210-L218 HydrophobicContact CD2-CD2 4.43Å; H216-L218 PolarHBondContact O-N 3.04Å
219S88.9Confident88.5Confident28 Ų2844.6 Ų44.620%0.19623%0.229CC..THydrogen-bonded Turntrans-123.5-15.1-170.176.30000116.2V61 L215 H216 A249V61-S219 CarbonylContact O-C 3.55Å; V61-S219 VanDerWaalsContact O-C 3.31Å; L215-S219 PolarHBondContact O-OG 2.93Å; H216-S219 WeakPolarHBondContact CA-OG 3.49Å; H216-S219 PolarHBondContact O-N 2.88Å; S219-A249 WeakPolarHBondContact O-CB 3.42Å
220A90.6Very high88Confident12 Ų1241.4 Ų41.410%0.09922%0.22CC..SBendtrans-145.855.517500000109.4V61 S90 H216 A249V61-A220 PolarHBondContact O-N 2.67Å; S90-A220 WeakPolarHBondContact CB-O 3.11Å; S90-A220 PolarHBondContact OG-O 3.03Å; H216-A220 HydrophobicContact CB-CB 4.25Å; H216-A220 PolarHBondContact O-N 2.95Å; A220-A249 HydrophobicContact CB-CB 4.23Å
221V92.4Very high87.1Confident0 Ų042.7 Ų42.70%023%0.233CC..EExtended strand (participates in β ladder)trans-83.3123.1-177.2-179.40000109.4F57 V61 L63 T88 S89 S217 Q223F57-V221 HydrophobicContact CD2-CG1 4.41Å; F57-V221 HydrophobicContact CE2-CG1 3.98Å; V61-V221 PolarHBondContact N-O 3.04Å; V61-V221 PolarHBondContact O-N 2.89Å; L63-V221 HydrophobicContact CD1-CB 4.43Å; L63-V221 HydrophobicContact CD1-CG1 4.41Å; L63-V221 HydrophobicContact CD1-CG2 3.89Å; L63-V221 HydrophobicContact CG-CG2 4.17Å; T88-V221 HydrophobicContact CG2-CG1 3.82Å; T88-V221 HydrophobicContact CG2-CG2 3.99Å; S89-V221 WeakPolarHBondContact O-CA 3.45Å; S217-V221 WeakPolarHBondContact O-CG2 3.47Å; V221-Q223 WeakPolarHBondContact CG1-O 3.31Å
222T92.3Very high85.9Confident20 Ų2038.3 Ų38.312%0.12322%0.219CC..EExtended strand (participates in β ladder)trans-96-31173.348.80000111.5F57 P60 S89 D91F57-T222 PolarHBondContact N-O 3.03Å; P60-T222 HydrophobicContact CG-CG2 4.38Å; S89-T222 PolarHBondContact O-N 3.38Å; S89-T222 PolarHBondContact O-OG1 3.17Å; D91-T222 HydrophobicContact CB-CG2 4.22Å; D91-T222 PolarHBondContact N-OG1 3.11Å; D91-T222 WeakPolarHBondContact OD2-CB 3.44Å; D91-T222 PolarHBondContact OD2-OG1 3.32Å
223Q94.3Very high84.8Confident17 Ų1738.4 Ų38.48%0.07922%0.224CC..EExtended strand (participates in β ladder)trans-136.7138.8-177.9-50-176.548.200111.2L55 K56 T88 S89 D91 S165 F167 V221L55-Q223 CarbonylContact O-C 3.57Å; L55-Q223 VanDerWaalsContact O-CA 3.28Å; L55-Q223 WeakPolarHBondContact O-CA 3.24Å; K56-Q223 HydrophobicContact CB-CG 4.41Å; K56-Q223 HydrophobicContact CD-CG 4.49Å; K56-Q223 VanDerWaalsContact CE-OE1 3.29Å; K56-Q223 HydrophobicContact CG-CG 3.99Å; T88-Q223 CarbonylContact C-O 3.5Å; T88-Q223 WeakPolarHBondContact CA-O 3.34Å; S89-Q223 PolarHBondContact N-O 3.43Å; S89-Q223 PolarHBondContact O-N 2.96Å; D91-Q223 PolarHBondContact OD2-NE2 3.1Å; S165-Q223 PolarHBondContact OG-NE2 2.89Å; F167-Q223 HydrophobicContact CE1-CB 3.9Å; F167-Q223 HydrophobicContact CZ-CB 3.84Å; V221-Q223 WeakPolarHBondContact CG1-O 3.31Å
224L96.1Very high84.1Confident0 Ų035.7 Ų35.70%024%0.235CC..EExtended strand (participates in β ladder)trans-125.3126.8176.2-179.7152000109.5T54 L55 F57 L63 V66 I86 V226 V244T54-L224 CarbonylContact C-O 3.53Å; T54-L224 WeakPolarHBondContact CA-O 3.3Å; L55-L224 PolarHBondContact N-O 3.25Å; L55-L224 PolarHBondContact O-N 2.96Å; F57-L224 HydrophobicContact CE2-CB 3.79Å; F57-L224 HydrophobicContact CZ-CB 3.75Å; F57-L224 HydrophobicContact CZ-CD1 4.41Å; L63-L224 HydrophobicContact CD1-CD1 3.94Å; L63-L224 HydrophobicContact CD2-CD1 4.09Å; V66-L224 HydrophobicContact CG2-CD1 3.81Å; I86-L224 HydrophobicContact CG2-CD1 4.3Å; I86-L224 HydrophobicContact CG2-CD2 4.46Å; I86-L224 HydrophobicContact CG2-CG 4.26Å; L224-V226 HydrophobicContact CD2-CG2 3.69Å; L224-V244 HydrophobicContact CD1-CG1 4.23Å; L224-V244 HydrophobicContact CD1-CG2 4.43Å
225R96Very high83.9Confident66 Ų6634.3 Ų34.325%0.24922%0.219CC..EExtended strand (participates in β ladder)trans-115.4110.6-179.5-173.4173.971.5-168.43110.8H52 V53 T54 S87 F167H52-R225 HydrophobicContact CB-CG 4.25Å; V53-R225 CarbonylContact O-C 3.55Å; V53-R225 WeakPolarHBondContact O-CA 3.25Å; T54-R225 WeakPolarHBondContact OG1-CG 3.36Å; S87-R225 PolarHBondContact N-O 2.87Å; S87-R225 PolarHBondContact O-N 2.9Å; F167-R225 HydrophobicContact CD1-CB 3.79Å; F167-R225 HydrophobicContact CE1-CB 3.63Å; F167-R225 HydrophobicContact CZ-CB 4.25Å
226V95.9Very high84.2Confident2 Ų229.5 Ų29.51%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-81.4127.4167.6-174.10000107.8H52 V53 V68 L84 I86 L224 L239 L242H52-V226 WeakPolarHBondContact CA-O 3.15Å; V53-V226 HydrophobicContact CB-CB 4.48Å; V53-V226 PolarHBondContact N-O 3.3Å; V53-V226 PolarHBondContact O-N 3.11Å; V68-V226 HydrophobicContact CG1-CG1 4.49Å; L84-V226 HydrophobicContact CD1-CG1 3.63Å; I86-V226 HydrophobicContact CD1-CB 4.43Å; I86-V226 HydrophobicContact CD1-CG1 4.15Å; I86-V226 HydrophobicContact CD1-CG2 4.07Å; L224-V226 HydrophobicContact CD2-CG2 3.69Å; V226-L239 HydrophobicContact CB-CD1 4.4Å; V226-L239 HydrophobicContact CG1-CD1 4.19Å; V226-L239 HydrophobicContact CG1-CD2 4.39Å; V226-L242 HydrophobicContact CG2-CD1 4.06Å; V226-L242 HydrophobicContact CG2-CD2 3.93Å
227T93.8Very high84.5Confident6 Ų625.9 Ų25.94%0.03718%0.181CC..EExtended strand (participates in β ladder)trans-127130.8-176.8-60.30000110.7L51 H52 E85 P229L51-T227 CarbonylContact O-C 3.49Å; L51-T227 WeakPolarHBondContact O-CA 2.82Å; H52-T227 WeakPolarHBondContact CE1-CG2 3.2Å; H52-T227 VanDerWaalsContact ND1-CG2 3.27Å; H52-T227 WeakPolarHBondContact ND1-CG2 3.47Å; H52-T227 PolarHBondContact ND1-OG1 2.92Å; E85-T227 PolarHBondContact N-O 3.08Å; E85-T227 PolarHBondContact O-N 2.89Å; T227-P229 HydrophobicContact CG2-CB 4.31Å; T227-P229 WeakPolarHBondContact O-CD 3.4Å
228V92.3Very high84.7Confident8 Ų825.7 Ų25.75%0.04818%0.181CC..EExtended strand (participates in β ladder)trans-113.590.4170.4179.40000106.9P50 L51 L84 C230 L237P50-V228 WeakPolarHBondContact CA-O 3.17Å; L51-V228 HydrophobicContact CB-CB 4.27Å; L51-V228 HydrophobicContact CD2-CB 4.49Å; L51-V228 HydrophobicContact CD2-CG2 4.41Å; L51-V228 PolarHBondContact N-O 3.38Å; L51-V228 PolarHBondContact O-N 3.37Å; L84-V228 HydrophobicContact CD1-CG2 3.81Å; V228-C230 WeakPolarHBondContact CG1-O 3.46Å; V228-L237 HydrophobicContact CG1-CD2 4.46Å
229P86.8Confident84.9Confident39 Ų3925.5 Ų25.525%0.25318%0.18SC..  trans-80.5-21.1-172.933.3-35.7000112.9P49 R83 E85 T227P49-P229 WeakPolarHBondContact CB-O 3.48Å; R83-P229 HydrophobicContact CB-CG 3.96Å; R83-P229 HydrophobicContact CG-CG 3.87Å; R83-P229 WeakPolarHBondContact O-CD 3.49Å; E85-P229 HydrophobicContact CG-CG 4.26Å; T227-P229 HydrophobicContact CG2-CB 4.31Å; T227-P229 WeakPolarHBondContact O-CD 3.4Å
230C81Confident85Confident45 Ų4527.4 Ų27.430%0.30419%0.185SC..  trans-142.6148.1168.261.20000110.7R83 V228R83-C230 WeakPolarHBondContact CB-SG 3.36Å; R83-C230 PolarHBondContact N-O 3.49Å; R83-C230 VanDerWaalsContact N-O 3.16Å; V228-C230 WeakPolarHBondContact CG1-O 3.46Å
231G72.2Confident85.1Confident28 Ų2828.8 Ų28.829%0.28920%0.196SC..  trans-142.5157.4179.800000111.3
232G67Low85.2Confident8 Ų829.3 Ų29.38%0.08220%0.198CC..  trans-64.1152-177.200000114.1D76 A234 S235D76-G232 WeakPolarHBondContact OD2-CA 3.38Å; G232-A234 PolarHBondContact O-N 3.32Å; G232-S235 PolarHBondContact O-N 3.31Å; G232-S235 VanDerWaalsContact O-N 3.16Å
233A61.4Low85.2Confident76 Ų7629.1 Ų29.163%0.62820%0.199SC*.THydrogen-bonded Turntrans-63.3127-175.800000111.2S235A233-S235 PolarHBondContact O-N 3.07Å
234A64.9Low85.2Confident99 Ų9928.3 Ų28.382%0.81820%0.195SC*.THydrogen-bonded Turntrans58.518.7-175.300000115.7G232G232-A234 PolarHBondContact O-N 3.32Å
235S71.1Confident85.1Confident15 Ų1529.8 Ų29.811%0.10520%0.201CC..PPolyproline II helixtrans-89.5136.4168.2-168.30000110.7P72 K82 G232 A233 L237P72-S235 PolarHBondContact O-OG 3.4Å; K82-S235 WeakPolarHBondContact CE-OG 3.4Å; K82-S235 PolarHBondContact NZ-OG 3.28Å; G232-S235 PolarHBondContact O-N 3.31Å; G232-S235 VanDerWaalsContact O-N 3.16Å; A233-S235 PolarHBondContact O-N 3.07Å; S235-L237 PolarHBondContact O-N 3.13Å
236S76.3Confident84.9Confident43 Ų4326.6 Ų26.630%0.30119%0.189SC..PPolyproline II helixtrans-69.7128.7-178.856.10000112.1
237L87.2Confident84.7Confident19 Ų1926.6 Ų26.610%0.09919%0.189CC..PPolyproline II helixtrans-78.9135.3174.5-57.5-178.9000110.7L43 L47 P49 L51 V228 S235L43-L237 HydrophobicContact CB-CB 4.26Å; L43-L237 HydrophobicContact CD1-CB 4Å; L43-L237 HydrophobicContact CD1-CD1 4.22Å; L43-L237 HydrophobicContact CG-CB 4.34Å; L43-L237 PolarHBondContact N-O 3.25Å; L47-L237 WeakPolarHBondContact O-CD1 3.41Å; P49-L237 HydrophobicContact CG-CD1 3.96Å; P49-L237 HydrophobicContact CG-CD2 4.24Å; L51-L237 HydrophobicContact CD2-CB 4.27Å; V228-L237 HydrophobicContact CG1-CD2 4.46Å; S235-L237 PolarHBondContact O-N 3.13Å
238G89.6Confident84.6Confident5 Ų526.6 Ų26.65%0.05219%0.189CC..EExtended strand (participates in β ladder)trans157173.8-17900000112.2F41F41-G238 CarbonylContact O-C 3.55Å; F41-G238 VanDerWaalsContact O-CA 3.32Å; F41-G238 WeakPolarHBondContact O-CA 3.37Å
239L92.4Very high84.5Confident0 Ų026.4 Ų26.40%019%0.188CC..EExtended strand (participates in β ladder)trans-120115.8176-53.2-178.4000107.8I29 F41 V53 V68 E69 L70 V226 L242I29-L239 HydrophobicContact CD1-CB 4.32Å; I29-L239 HydrophobicContact CD1-CD1 4.16Å; F41-L239 HydrophobicContact CD1-CB 4.22Å; F41-L239 HydrophobicContact CD1-CG 4.23Å; F41-L239 PolarHBondContact N-O 2.79Å; F41-L239 CarbonylContact O-C 3.57Å; F41-L239 PolarHBondContact O-N 3.36Å; F41-L239 VanDerWaalsContact O-O 3.1Å; V53-L239 HydrophobicContact CB-CD1 4.09Å; V53-L239 HydrophobicContact CG1-CD1 4.27Å; V53-L239 HydrophobicContact CG2-CD1 3.89Å; V53-L239 HydrophobicContact CG2-CG 4.37Å; V68-L239 HydrophobicContact CG1-CD2 3.84Å; E69-L239 CarbonylContact O-C 3.54Å; L70-L239 HydrophobicContact CD2-CD2 3.5Å; V226-L239 HydrophobicContact CB-CD1 4.4Å; V226-L239 HydrophobicContact CG1-CD1 4.19Å; V226-L239 HydrophobicContact CG1-CD2 4.39Å; L239-L242 HydrophobicContact CD1-CB 4.4Å; L239-L242 HydrophobicContact CD1-CD2 4.03Å
240K91.7Very high84.4Confident68 Ų6833 Ų3330%0.29621%0.208SC..EExtended strand (participates in β ladder)trans-69.6-38.1175.9173.2171.3169-88.90110.8G40 E69 W71G40-K240 WeakPolarHBondContact CA-O 3.41Å; E69-K240 HydrophobicContact CB-CB 4.49Å; E69-K240 HydrophobicContact CG-CB 4.11Å; E69-K240 HydrophobicContact CG-CD 4.28Å; E69-K240 HydrophobicContact CG-CG 4.36Å; E69-K240 PolarHBondContact O-N 2.8Å; E69-K240 IonicContact OE1-NZ 3.18Å; E69-K240 PolarHBondContact OE1-NZ 3.03Å; E69-K240 IonicContact OE2-NZ 3.38Å; E69-K240 PolarHBondContact OE2-NZ 3.07Å; W71-K240 HydrophobicContact CD2-CB 4.09Å; W71-K240 HydrophobicContact CE3-CB 4.31Å; W71-K240 HydrophobicContact CE3-CD 4.26Å; W71-K240 HydrophobicContact CH2-CB 4.45Å; W71-K240 HydrophobicContact CH2-CG 4.31Å; W71-K240 HydrophobicContact CZ2-CB 4.25Å; W71-K240 HydrophobicContact CZ3-CB 4.48Å; W71-K240 HydrophobicContact CZ3-CD 4.13Å; W71-K240 HydrophobicContact CZ3-CG 4.31Å
241A91.9Very high84.6Confident40 Ų4033.5 Ų33.533%0.33121%0.211SC..EExtended strand (participates in β ladder)trans-148.7152.8170.200000111.2E69E69-A241 HydrophobicContact CB-CB 4.04Å; E69-A241 PolarHBondContact N-O 2.77Å; E69-A241 PolarHBondContact O-N 2.84Å
242L94.4Very high85.3Confident11 Ų1133 Ų336%0.05820%0.203CC..EExtended strand (participates in β ladder)trans-146.2124.6172.8172.164.4000108.6C6 I29 L55 V66 D67 V68 V226 L239 V244C6-L242 PolarHBondContact SG-O 2.69Å; I29-L242 HydrophobicContact CG2-CB 3.81Å; I29-L242 HydrophobicContact CG2-CD2 4.2Å; I29-L242 HydrophobicContact CG2-CG 4.34Å; L55-L242 HydrophobicContact CD1-CD2 3.87Å; L55-L242 HydrophobicContact CD2-CD2 4.47Å; L55-L242 HydrophobicContact CG-CD2 4.28Å; V66-L242 HydrophobicContact CG1-CD1 3.89Å; D67-L242 WeakPolarHBondContact O-CA 3.47Å; V68-L242 HydrophobicContact CG2-CD1 3.89Å; V226-L242 HydrophobicContact CG2-CD1 4.06Å; V226-L242 HydrophobicContact CG2-CD2 3.93Å; L239-L242 HydrophobicContact CD1-CB 4.4Å; L239-L242 HydrophobicContact CD1-CD2 4.03Å; L242-V244 HydrophobicContact CD1-CG2 4.44Å
243A93Very high86.3Confident17 Ų1736 Ų3614%0.1422%0.221CC..EExtended strand (participates in β ladder)trans-125.8133.9173.800000110D67D67-A243 HydrophobicContact CB-CB 4.34Å; D67-A243 PolarHBondContact N-O 2.95Å; D67-A243 PolarHBondContact O-N 2.86Å
244V94.7Very high87.5Confident0 Ų035.8 Ų35.80%022%0.219CC..EExtended strand (participates in β ladder)trans-119.5109.9179.5-176.20000108.5N4 L5 L55 F57 L63 V66 L224 L242N4-V244 CarbonylContact C-O 3.51Å; N4-V244 WeakPolarHBondContact CA-O 3.27Å; N4-V244 PolarHBondContact OD1-N 2.85Å; L5-V244 HydrophobicContact CB-CB 4.34Å; L5-V244 WeakPolarHBondContact CB-O 3.45Å; L5-V244 HydrophobicContact CD1-CG1 4Å; L5-V244 PolarHBondContact N-O 3.04Å; L55-V244 HydrophobicContact CD1-CG2 3.73Å; F57-V244 HydrophobicContact CE1-CG1 4.31Å; F57-V244 HydrophobicContact CZ-CG1 4Å; L63-V244 HydrophobicContact CD2-CG1 3.48Å; L63-V244 VanDerWaalsContact CD2-CG1 3.48Å; V66-V244 HydrophobicContact CG1-CG2 4.33Å; V66-V244 HydrophobicContact CG2-CG1 4.41Å; L224-V244 HydrophobicContact CD1-CG1 4.23Å; L224-V244 HydrophobicContact CD1-CG2 4.43Å; L242-V244 HydrophobicContact CD1-CG2 4.44Å
245W92.8Very high88.5Confident30 Ų3038.6 Ų38.611%0.11422%0.215CC..EExtended strand (participates in β ladder)trans-94.9131-179.5-56.493.9000110.4V3 N4 C64 R65 D67 P198 P199V3-W245 WeakPolarHBondContact O-CA 3.46Å; N4-W245 HydrophobicContact CB-CD2 4.37Å; N4-W245 HydrophobicContact CB-CE3 3.94Å; N4-W245 HydrophobicContact CB-CH2 3.94Å; N4-W245 HydrophobicContact CB-CZ2 4.37Å; N4-W245 HydrophobicContact CB-CZ3 3.72Å; C64-W245 WeakPolarHBondContact CA-O 3.44Å; C64-W245 HydrophobicContact CB-CB 4.44Å; C64-W245 WeakPolarHBondContact CB-O 3.45Å; C64-W245 PolarHBondContact N-O 2.9Å; R65-W245 HydrophobicContact CB-CB 4.18Å; R65-W245 HydrophobicContact CB-CG 4.49Å; R65-W245 PolarHBondContact N-O 3.44Å; R65-W245 VanDerWaalsContact N-O 3.07Å; R65-W245 PolarHBondContact O-N 3.21Å; D67-W245 PolarHBondContact OD2-NE1 2.93Å; P198-W245 HydrophobicContact CB-CB 4.34Å; P198-W245 HydrophobicContact CB-CD2 4.18Å; P198-W245 HydrophobicContact CB-CE3 4.29Å; P198-W245 HydrophobicContact CB-CG 4.2Å; P199-W245 HydrophobicContact CG-CH2 3.65Å; P199-W245 HydrophobicContact CG-CZ2 4.15Å; P199-W245 HydrophobicContact CG-CZ3 4.08Å
246G92.3Very high89.1Confident0 Ų040.3 Ų40.30%022%0.222CC..EExtended strand (participates in β ladder)trans-167.6-166.5179.300000113.8V2 V3 E62V2-G246 CarbonylContact C-O 3.58Å; V2-G246 WeakPolarHBondContact CA-O 3.22Å; V2-G246 WeakPolarHBondContact CB-O 3.28Å; V3-G246 PolarHBondContact N-O 2.92Å; V3-G246 PolarHBondContact O-N 2.84Å; V3-G246 VanDerWaalsContact O-N 3.1Å; E62-G246 CarbonylContact O-C 3.53Å; E62-G246 WeakPolarHBondContact O-CA 3.3Å
247Q91.9Very high89.6Confident1 Ų140 Ų401%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-141.3163.4171.369.1-167.8-9.100109.2E62 F188 R189 R191 F194 A249E62-Q247 HydrophobicContact CB-CG 4.22Å; E62-Q247 PolarHBondContact N-O 3.42Å; E62-Q247 PolarHBondContact O-N 3.49Å; E62-Q247 PolarHBondContact OE2-NE2 3.09Å; F188-Q247 HydrophobicContact CE2-CG 3.88Å; F188-Q247 HydrophobicContact CZ-CB 4.3Å; F188-Q247 VanDerWaalsContact CZ-CD 3.42Å; F188-Q247 HydrophobicContact CZ-CG 3.78Å; R189-Q247 PolarHBondContact O-NE2 3.28Å; R191-Q247 VanDerWaalsContact CZ-NE2 3.34Å; R191-Q247 VanDerWaalsContact NH1-NE2 3.15Å; F194-Q247 HydrophobicContact CB-CB 4.16Å; F194-Q247 HydrophobicContact CD2-CB 4.19Å; F194-Q247 HydrophobicContact CG-CB 4.3Å; Q247-A249 PolarHBondContact O-N 3.41Å
248P91.3Very high89.6Confident6 Ų643.2 Ų43.24%0.03923%0.233CC..EExtended strand (participates in β ladder)trans-55.1137.8172.6-26.337.1000112F59 R191 F194 C252 V257 I260F59-P248 HydrophobicContact CD2-CB 4.47Å; F59-P248 HydrophobicContact CE2-CB 4.49Å; F59-P248 HydrophobicContact CE2-CG 4.17Å; R191-P248 PolarHBondContact NH2-O 2.87Å; F194-P248 HydrophobicContact CD2-CG 4.33Å; F194-P248 HydrophobicContact CE2-CG 3.57Å; F194-P248 HydrophobicContact CZ-CG 3.88Å; P248-C252 HydrophobicContact CB-CB 4.15Å; P248-V257 HydrophobicContact CB-CG2 4.23Å; P248-I260 HydrophobicContact CB-CD1 4.37Å; P248-I260 HydrophobicContact CG-CB 4.42Å; P248-I260 HydrophobicContact CG-CD1 3.78Å; P248-I260 HydrophobicContact CG-CG2 3.97Å
249A90Very high89.5Confident4 Ų446.6 Ų46.63%0.03324%0.244CC..  trans-60.4158.317700000111.8P60 S219 A220 Q247 C251 C252P60-A249 HydrophobicContact CB-CB 3.82Å; P60-A249 VanDerWaalsContact O-CB 3.24Å; P60-A249 WeakPolarHBondContact O-CB 3.33Å; P60-A249 PolarHBondContact O-N 3.33Å; S219-A249 WeakPolarHBondContact O-CB 3.42Å; A220-A249 HydrophobicContact CB-CB 4.23Å; Q247-A249 PolarHBondContact O-N 3.41Å; A249-C251 PolarHBondContact O-N 2.97Å; A249-C252 WeakPolarHBondContact O-CB 3.46Å; A249-C252 PolarHBondContact O-N 2.9Å; A249-C252 VanDerWaalsContact O-N 3.08Å
250R85Confident89.2Confident177 Ų17746.6 Ų46.667%0.66824%0.244SC*.THydrogen-bonded Turntrans-64.5-11177.4-65.1179.2-179.8-96.60.8114.3
251C85.4Confident89Confident56 Ų5646.5 Ų46.538%0.37824%0.244SC..THydrogen-bonded Turntrans-98.40.3176.553.40000114.1A249A249-C251 PolarHBondContact O-N 2.97Å
252C86.4Confident88.7Confident18 Ų1851.6 Ų51.612%0.12226%0.255CS..SBendtrans-68.9137.6172.9-65.10000110.6P60 P248 A249 V257P60-C252 PolarHBondContact O-SG 3.17Å; P248-C252 HydrophobicContact CB-CB 4.15Å; A249-C252 WeakPolarHBondContact O-CB 3.46Å; A249-C252 PolarHBondContact O-N 2.9Å; A249-C252 VanDerWaalsContact O-N 3.08Å; C252-V257 HydrophobicContact CB-CG2 3.98Å
253P88.7Confident88.2Confident71 Ų7153.8 Ų53.846%0.46127%0.267SS..  trans-67.2155.417329.5-34.2000110.8E255 E256 V257P253-E255 VanDerWaalsContact C-N 3.28Å; P253-E255 PolarHBondContact O-N 3.02Å; P253-E256 HydrophobicContact CG-CB 3.95Å; P253-E256 HydrophobicContact CG-CG 3.77Å; P253-E256 PolarHBondContact O-N 3.38Å; P253-E256 VanDerWaalsContact O-N 3.12Å; P253-V257 PolarHBondContact O-N 2.85Å
254A85.7Confident87.7Confident71 Ų7153.2 Ų53.259%0.58726%0.261SS*.Hα-helixtrans-57-40.8-177.300000112.6E256 V257 E258A254-E256 VanDerWaalsContact C-N 3.31Å; A254-E256 PolarHBondContact O-N 3.36Å; A254-V257 WeakPolarHBondContact O-CB 3.17Å; A254-V257 PolarHBondContact O-N 3.42Å; A254-V257 VanDerWaalsContact O-N 3.1Å; A254-E258 WeakPolarHBondContact O-CG 3.29Å; A254-E258 PolarHBondContact O-N 3.37Å
255E86.7Confident87.2Confident158 Ų15856.2 Ų56.274%0.73828%0.275SS*.Hα-helixtrans-55.2-42.8176.9-64169.8-161.200112.7P253 R259P253-E255 VanDerWaalsContact C-N 3.28Å; P253-E255 PolarHBondContact O-N 3.02Å; E255-R259 VanDerWaalsContact O-CB 3.32Å; E255-R259 WeakPolarHBondContact O-CB 3.48Å; E255-R259 PolarHBondContact O-N 2.8Å
256E84.5Confident86.7Confident51 Ų5157 Ų5724%0.23829%0.287CS..Hα-helixtrans-68.1-43.2175.8-81.9-67.8101.400111.6P253 A254 E258 R259 I260P253-E256 HydrophobicContact CG-CB 3.95Å; P253-E256 HydrophobicContact CG-CG 3.77Å; P253-E256 PolarHBondContact O-N 3.38Å; P253-E256 VanDerWaalsContact O-N 3.12Å; A254-E256 VanDerWaalsContact C-N 3.31Å; A254-E256 PolarHBondContact O-N 3.36Å; E256-E258 VanDerWaalsContact C-N 3.33Å; E256-E258 PolarHBondContact O-N 3.28Å; E256-R259 PolarHBondContact O-N 2.78Å; E256-R259 IonicContact OE1-CZ 3.46Å; E256-R259 IonicContact OE1-NE 2.71Å; E256-R259 PolarHBondContact OE1-NE 2.84Å; E256-R259 IonicContact OE1-NH2 3.38Å; E256-R259 PolarHBondContact OE1-NH2 2.68Å; E256-R259 IonicContact OE2-CZ 3.56Å; E256-R259 IonicContact OE2-NE 3.59Å; E256-R259 IonicContact OE2-NH2 2.7Å; E256-R259 PolarHBondContact OE2-NH2 2.63Å; E256-I260 WeakPolarHBondContact O-CB 3.39Å; E256-I260 VanDerWaalsContact O-CD1 3.25Å; E256-I260 WeakPolarHBondContact O-CD1 3.34Å; E256-I260 WeakPolarHBondContact O-CG1 3.45Å; E256-I260 PolarHBondContact O-N 2.94Å
257V87.2Confident85.9Confident36 Ų3658.4 Ų58.422%0.21830%0.295CS..Hα-helixtrans-59.3-44.9176.7177.50000110.6P193 F194 P248 C252 P253 A254 I260 Q261P193-V257 HydrophobicContact CG-CG1 4.38Å; F194-V257 HydrophobicContact CE2-CG1 4.06Å; P248-V257 HydrophobicContact CB-CG2 4.23Å; C252-V257 HydrophobicContact CB-CG2 3.98Å; P253-V257 PolarHBondContact O-N 2.85Å; A254-V257 WeakPolarHBondContact O-CB 3.17Å; A254-V257 PolarHBondContact O-N 3.42Å; A254-V257 VanDerWaalsContact O-N 3.1Å; V257-I260 PolarHBondContact O-N 2.95Å; V257-Q261 WeakPolarHBondContact O-CB 3.31Å; V257-Q261 PolarHBondContact O-N 2.91Å
258E86.2Confident85Confident88 Ų8861.2 Ų61.241%0.41131%0.308SS..Hα-helixtrans-67.9-39.5175.5-65.3-176.8179.700112.8A254 E256 I260 Q261 R262A254-E258 WeakPolarHBondContact O-CG 3.29Å; A254-E258 PolarHBondContact O-N 3.37Å; E256-E258 VanDerWaalsContact C-N 3.33Å; E256-E258 PolarHBondContact O-N 3.28Å; E258-I260 VanDerWaalsContact C-N 3.32Å; E258-I260 PolarHBondContact O-N 3.38Å; E258-Q261 PolarHBondContact O-N 2.82Å; E258-R262 WeakPolarHBondContact O-CB 3.21Å; E258-R262 VanDerWaalsContact O-CG 3.28Å; E258-R262 WeakPolarHBondContact O-CG 3.48Å; E258-R262 PolarHBondContact O-N 3.33Å; E258-R262 IonicContact OE2-CZ 3.2Å; E258-R262 IonicContact OE2-NH1 2.86Å; E258-R262 PolarHBondContact OE2-NH1 3.5Å; E258-R262 IonicContact OE2-NH2 2.69Å; E258-R262 PolarHBondContact OE2-NH2 2.78Å
259R87.5Confident84Confident75 Ų7568.1 Ų68.128%0.28333%0.334SS..Hα-helixtrans-59.9-45.3175.5-175.2-173.56576.2-0.2110.6E255 E256 R262 L263E255-R259 VanDerWaalsContact O-CB 3.32Å; E255-R259 WeakPolarHBondContact O-CB 3.48Å; E255-R259 PolarHBondContact O-N 2.8Å; E256-R259 PolarHBondContact O-N 2.78Å; E256-R259 IonicContact OE1-CZ 3.46Å; E256-R259 IonicContact OE1-NE 2.71Å; E256-R259 PolarHBondContact OE1-NE 2.84Å; E256-R259 IonicContact OE1-NH2 3.38Å; E256-R259 PolarHBondContact OE1-NH2 2.68Å; E256-R259 IonicContact OE2-CZ 3.56Å; E256-R259 IonicContact OE2-NE 3.59Å; E256-R259 IonicContact OE2-NH2 2.7Å; E256-R259 PolarHBondContact OE2-NH2 2.63Å; R259-R262 PolarHBondContact O-N 3.48Å; R259-L263 HydrophobicContact CG-CD1 4.16Å; R259-L263 VanDerWaalsContact NH1-CD1 3.28Å; R259-L263 WeakPolarHBondContact O-CB 3.39Å; R259-L263 VanDerWaalsContact O-CG 3.27Å; R259-L263 WeakPolarHBondContact O-CG 3.25Å; R259-L263 PolarHBondContact O-N 2.96Å
260I86.6Confident82.7Confident0 Ų077.1 Ų77.10%037%0.367CS..Hα-helixtrans-66-39.4177.8-66.5160.9000110.4F10 F59 F194 P248 E256 V257 E258 L263 Q264F10-I260 HydrophobicContact CD1-CG2 4.3Å; F10-I260 HydrophobicContact CE1-CG2 3.82Å; F59-I260 HydrophobicContact CB-CD1 4.36Å; F59-I260 HydrophobicContact CD1-CD1 3.57Å; F59-I260 HydrophobicContact CD1-CG1 4.15Å; F59-I260 HydrophobicContact CD2-CD1 3.63Å; F59-I260 HydrophobicContact CE1-CD1 3.62Å; F59-I260 HydrophobicContact CE1-CG1 3.9Å; F59-I260 HydrophobicContact CE2-CD1 3.68Å; F59-I260 HydrophobicContact CG-CD1 3.57Å; F59-I260 HydrophobicContact CZ-CD1 3.67Å; F59-I260 HydrophobicContact CZ-CG1 4.13Å; F59-I260 HydrophobicContact CZ-CG2 4.28Å; F194-I260 HydrophobicContact CE1-CG2 3.93Å; F194-I260 HydrophobicContact CZ-CB 4.27Å; F194-I260 HydrophobicContact CZ-CG2 3.68Å; P248-I260 HydrophobicContact CB-CD1 4.37Å; P248-I260 HydrophobicContact CG-CB 4.42Å; P248-I260 HydrophobicContact CG-CD1 3.78Å; P248-I260 HydrophobicContact CG-CG2 3.97Å; E256-I260 WeakPolarHBondContact O-CB 3.39Å; E256-I260 VanDerWaalsContact O-CD1 3.25Å; E256-I260 WeakPolarHBondContact O-CD1 3.34Å; E256-I260 WeakPolarHBondContact O-CG1 3.45Å; E256-I260 PolarHBondContact O-N 2.94Å; V257-I260 PolarHBondContact O-N 2.95Å; E258-I260 VanDerWaalsContact C-N 3.32Å; E258-I260 PolarHBondContact O-N 3.38Å; I260-L263 PolarHBondContact O-N 3.24Å; I260-Q264 WeakPolarHBondContact O-CB 3.42Å; I260-Q264 PolarHBondContact O-N 3.25Å
261Q86.3Confident81.4Confident66 Ų6673.5 Ų73.531%0.30836%0.364SS..Hα-helixtrans-61.7-51.6172.3-179.8-177.2-19.700111.8P193 F194 V257 E258 L263 Q264 E265P193-Q261 HydrophobicContact CB-CG 4.18Å; P193-Q261 HydrophobicContact CG-CB 4.08Å; P193-Q261 HydrophobicContact CG-CG 4.12Å; F194-Q261 HydrophobicContact CZ-CB 4.44Å; V257-Q261 WeakPolarHBondContact O-CB 3.31Å; V257-Q261 PolarHBondContact O-N 2.91Å; E258-Q261 PolarHBondContact O-N 2.82Å; Q261-L263 VanDerWaalsContact C-N 3.27Å; Q261-L263 PolarHBondContact O-N 3.2Å; Q261-Q264 PolarHBondContact O-N 2.8Å; Q261-Q264 VanDerWaalsContact O-N 3.11Å; Q261-E265 HydrophobicContact CG-CG 4.42Å; Q261-E265 WeakPolarHBondContact CG-OE1 3.42Å; Q261-E265 PolarHBondContact NE2-OE1 3.26Å; Q261-E265 WeakPolarHBondContact O-CG 3.48Å; Q261-E265 PolarHBondContact O-N 3.21Å
262R85.9Confident79.8Confident147 Ų14778 Ų7856%0.55538%0.379SS*.Hα-helixtrans-58.3-38.6178.9-71.5170.7-175.3115.27.8112E258 R259 A266E258-R262 WeakPolarHBondContact O-CB 3.21Å; E258-R262 VanDerWaalsContact O-CG 3.28Å; E258-R262 WeakPolarHBondContact O-CG 3.48Å; E258-R262 PolarHBondContact O-N 3.33Å; E258-R262 IonicContact OE2-CZ 3.2Å; E258-R262 IonicContact OE2-NH1 2.86Å; E258-R262 PolarHBondContact OE2-NH1 3.5Å; E258-R262 IonicContact OE2-NH2 2.69Å; E258-R262 PolarHBondContact OE2-NH2 2.78Å; R259-R262 PolarHBondContact O-N 3.48Å; R262-A266 WeakPolarHBondContact O-CB 3.42Å; R262-A266 PolarHBondContact O-N 2.93Å
263L85.1Confident77.5Confident57 Ų5783.8 Ų83.830%0.29841%0.405SS..Hα-helixtrans-68.6-41.7175.2-72.7168.3000112.2R259 I260 Q261 A266 N267R259-L263 HydrophobicContact CG-CD1 4.16Å; R259-L263 VanDerWaalsContact NH1-CD1 3.28Å; R259-L263 WeakPolarHBondContact O-CB 3.39Å; R259-L263 VanDerWaalsContact O-CG 3.27Å; R259-L263 WeakPolarHBondContact O-CG 3.25Å; R259-L263 PolarHBondContact O-N 2.96Å; I260-L263 PolarHBondContact O-N 3.24Å; Q261-L263 VanDerWaalsContact C-N 3.27Å; Q261-L263 PolarHBondContact O-N 3.2Å; L263-A266 PolarHBondContact O-N 3.31Å; L263-N267 VanDerWaalsContact O-CB 3.3Å; L263-N267 WeakPolarHBondContact O-CB 3.45Å; L263-N267 PolarHBondContact O-N 3.45Å
264Q82.7Confident75.1Confident6 Ų684.1 Ų84.13%0.02841%0.407CS..Hα-helixtrans-62.5-47.7174.4-178.264.320.800111.1V3 I260 Q261 A266 N267 E268V3-Q264 HydrophobicContact CG1-CB 4.32Å; V3-Q264 HydrophobicContact CG1-CG 4.05Å; I260-Q264 WeakPolarHBondContact O-CB 3.42Å; I260-Q264 PolarHBondContact O-N 3.25Å; Q261-Q264 PolarHBondContact O-N 2.8Å; Q261-Q264 VanDerWaalsContact O-N 3.11Å; Q264-A266 PolarHBondContact O-N 3.33Å; Q264-N267 CarbonylContact O-C 3.5Å; Q264-N267 PolarHBondContact O-N 3.44Å; Q264-N267 VanDerWaalsContact O-N 3.17Å; Q264-E268 HydrophobicContact CG-CG 4.38Å; Q264-E268 PolarHBondContact NE2-OE1 3.15Å; Q264-E268 WeakPolarHBondContact O-CB 3.3Å; Q264-E268 WeakPolarHBondContact O-CG 3.42Å; Q264-E268 PolarHBondContact O-N 3.03Å
265E83.9Confident72.8Confident63 Ų6386.8 Ų86.829%0.29442%0.416SS..Hα-helixtrans-62.1-42.9176.9-72.5179.8-152.300112.2Q261 N267 E268 R269Q261-E265 HydrophobicContact CG-CG 4.42Å; Q261-E265 WeakPolarHBondContact CG-OE1 3.42Å; Q261-E265 PolarHBondContact NE2-OE1 3.26Å; Q261-E265 WeakPolarHBondContact O-CG 3.48Å; Q261-E265 PolarHBondContact O-N 3.21Å; E265-N267 VanDerWaalsContact C-N 3.26Å; E265-N267 PolarHBondContact O-N 2.67Å; E265-E268 PolarHBondContact O-N 2.93Å; E265-R269 WeakPolarHBondContact O-CB 3.47Å; E265-R269 VanDerWaalsContact O-CG 3.28Å; E265-R269 WeakPolarHBondContact O-CG 3.2Å; E265-R269 PolarHBondContact O-N 2.67Å; E265-R269 IonicContact OE2-NH2 3.06Å; E265-R269 PolarHBondContact OE2-NH2 2.9Å
266A81.7Confident70.3Confident45 Ų4587.5 Ų87.537%0.37242%0.416SS..Hα-helixtrans-66.7-28.2176.200000112.5R262 L263 Q264 R270R262-A266 WeakPolarHBondContact O-CB 3.42Å; R262-A266 PolarHBondContact O-N 2.93Å; L263-A266 PolarHBondContact O-N 3.31Å; Q264-A266 PolarHBondContact O-N 3.33Å; A266-R270 WeakPolarHBondContact O-CD 3.23Å; A266-R270 VanDerWaalsContact O-CG 3.29Å; A266-R270 WeakPolarHBondContact O-CG 3.37Å; A266-R270 PolarHBondContact O-N 3.31Å
267N74.8Confident68Low30 Ų3094.8 Ų94.816%0.1645%0.448CS..Hα-helixtrans-80.1-41.4173.4-174.888.1000112.2H9 L263 Q264 E265 R269 R270 V271H9-N267 PolarHBondContact CE1-OD1 3.2Å; H9-N267 PolarHBondContact ND1-OD1 3.3Å; L263-N267 VanDerWaalsContact O-CB 3.3Å; L263-N267 WeakPolarHBondContact O-CB 3.45Å; L263-N267 PolarHBondContact O-N 3.45Å; Q264-N267 CarbonylContact O-C 3.5Å; Q264-N267 PolarHBondContact O-N 3.44Å; Q264-N267 VanDerWaalsContact O-N 3.17Å; E265-N267 VanDerWaalsContact C-N 3.26Å; E265-N267 PolarHBondContact O-N 2.67Å; N267-R269 VanDerWaalsContact C-N 3.34Å; N267-R269 PolarHBondContact O-N 3.23Å; N267-R270 CarbonylContact O-C 3.59Å; N267-R270 WeakPolarHBondContact O-CA 3.32Å; N267-R270 WeakPolarHBondContact O-CB 3.45Å; N267-R270 PolarHBondContact O-N 3.48Å; N267-V271 WeakPolarHBondContact O-CG2 3.32Å; N267-V271 PolarHBondContact O-N 3.43Å
268E73.7Confident65.5Low61 Ų6197.4 Ų97.429%0.28547%0.467SS..Hα-helixtrans-58.4-46.6173.3-76.2171.8175.300109.6Q264 E265 R270 V271 E272Q264-E268 HydrophobicContact CG-CG 4.38Å; Q264-E268 PolarHBondContact NE2-OE1 3.15Å; Q264-E268 WeakPolarHBondContact O-CB 3.3Å; Q264-E268 WeakPolarHBondContact O-CG 3.42Å; Q264-E268 PolarHBondContact O-N 3.03Å; E265-E268 PolarHBondContact O-N 2.93Å; E268-R270 PolarHBondContact O-N 3.33Å; E268-V271 CarbonylContact O-C 3.48Å; E268-V271 WeakPolarHBondContact O-CA 3.47Å; E268-V271 PolarHBondContact O-N 3.01Å; E268-E272 PolarHBondContact O-N 3.28Å
269R70.6Confident63.3Low150 Ų15098.7 Ų98.757%0.56648%0.484SS*.Hα-helixtrans-61.1-23.8172.1-68175.2-155.3174.311.8114.6E265 N267 H273E265-R269 WeakPolarHBondContact O-CB 3.47Å; E265-R269 VanDerWaalsContact O-CG 3.28Å; E265-R269 WeakPolarHBondContact O-CG 3.2Å; E265-R269 PolarHBondContact O-N 2.67Å; E265-R269 IonicContact OE2-NH2 3.06Å; E265-R269 PolarHBondContact OE2-NH2 2.9Å; N267-R269 VanDerWaalsContact C-N 3.34Å; N267-R269 PolarHBondContact O-N 3.23Å; R269-H273 WeakPolarHBondContact O-CB 3.5Å; R269-H273 VanDerWaalsContact O-CG 3.29Å; R269-H273 PolarHBondContact O-N 3.22Å; R269-H273 VanDerWaalsContact O-N 3.09Å
270R62.3Low61Low193 Ų193101 Ų10173%0.72851%0.508SS*.Hα-helixtrans-84.8-20.1172.5-75.5171.1176.7-179.2-0.7113.3A266 N267 E268 H273A266-R270 WeakPolarHBondContact O-CD 3.23Å; A266-R270 VanDerWaalsContact O-CG 3.29Å; A266-R270 WeakPolarHBondContact O-CG 3.37Å; A266-R270 PolarHBondContact O-N 3.31Å; N267-R270 CarbonylContact O-C 3.59Å; N267-R270 WeakPolarHBondContact O-CA 3.32Å; N267-R270 WeakPolarHBondContact O-CB 3.45Å; N267-R270 PolarHBondContact O-N 3.48Å; E268-R270 PolarHBondContact O-N 3.33Å; R270-H273 CarbonylContact O-C 3.54Å
271V58.1Low58.4Low101 Ų101107.3 Ų107.361%0.61255%0.546SS*.Hα-helixtrans-93-24176.3174.20000111.3N267 E268 P274N267-V271 WeakPolarHBondContact O-CG2 3.32Å; N267-V271 PolarHBondContact O-N 3.43Å; E268-V271 CarbonylContact O-C 3.48Å; E268-V271 WeakPolarHBondContact O-CA 3.47Å; E268-V271 PolarHBondContact O-N 3.01Å; V271-P274 VanDerWaalsContact O-CD 3.31Å; V271-P274 WeakPolarHBondContact O-CD 3.29Å
272E50.3Low56.1Low150 Ų150108.8 Ų108.870%0.70156%0.564SS**SBendtrans-86.5-10.2164.4-65.8-175.3161.400112.9E268 P274E268-E272 PolarHBondContact O-N 3.28Å; E272-P274 WeakPolarHBondContact O-CD 3.35Å
273H39Very low53.6Low141 Ų141110.6 Ų110.665%0.65358%0.579SS**  trans-117.863.7163.6-61.3-15000112.6R269 R270R269-H273 WeakPolarHBondContact O-CB 3.5Å; R269-H273 VanDerWaalsContact O-CG 3.29Å; R269-H273 PolarHBondContact O-N 3.22Å; R269-H273 VanDerWaalsContact O-N 3.09Å; R270-H273 CarbonylContact O-C 3.54Å
274P38.1Very low51Low78 Ų78113.6 Ų113.651%0.50660%0.599SS.*  trans-58.7133.1140.90.318.8000106.3V271 E272 F276V271-P274 VanDerWaalsContact O-CD 3.31Å; V271-P274 WeakPolarHBondContact O-CD 3.29Å; E272-P274 WeakPolarHBondContact O-CD 3.35Å; P274-F276 HydrophobicContact CB-CD2 4.4Å; P274-F276 PolarHBondContact O-N 2.82Å
275V37.3Very low48.7Very low127 Ų127119.3 Ų119.377%0.7764%0.635SS**SBendtrans-78.674.1178.5-173.50000109.6F277V275-F277 HydrophobicContact CG1-CD2 4.28Å; V275-F277 HydrophobicContact CG1-CE2 4.06Å
276F34.4Very low46.6Very low172 Ų172125.7 Ų125.775%0.75467%0.665SS**  trans-112.9118.1157.9-81.5-84.8000107.2P274 S278P274-F276 HydrophobicContact CB-CD2 4.4Å; P274-F276 PolarHBondContact O-N 2.82Å; F276-S278 PolarHBondContact O-N 3.01Å
277F37.2Very low44Very low205 Ų205129.5 Ų129.590%0.89968%0.683SS**  trans-7777.4175.8-86.9-89.8000110.2V275V275-F277 HydrophobicContact CG1-CD2 4.28Å; V275-F277 HydrophobicContact CG1-CE2 4.06Å
278S34.6Very low42.2Very low90 Ų90136.5 Ų136.563%0.62971%0.714SS**  trans-124117.8178.2-53.30000109.7F276F276-S278 PolarHBondContact O-N 3.01Å
279P39.2Very low40.3Very low116 Ų116142.1 Ų142.175%0.75374%0.741SS**  trans-68.7143.3177.828.7-33.7000110.7V281P279-V281 PolarHBondContact O-N 2.97Å
280P38.5Very low38.3Very low122 Ų122142.3 Ų142.379%0.79275%0.753SS**  trans-72.6121.2-170.727.8-34.9000112.4S282P280-S282 PolarHBondContact O-N 2.89Å
281V32.6Very low37.1Very low133 Ų133138.4 Ų138.481%0.80676%0.756SS**  trans-79.2104.5165.7177.50000108.6P279 Q283P279-V281 PolarHBondContact O-N 2.97Å; V281-Q283 PolarHBondContact O-N 2.76Å
282S38.1Very low36.3Very low97 Ų97140.4 Ų140.468%0.67876%0.762SS**  trans-71.7106.2174.9-55.50000111.1P280 T284P280-S282 PolarHBondContact O-N 2.89Å; S282-T284 PolarHBondContact O-N 3.27Å; S282-T284 VanDerWaalsContact O-N 3.09Å
283Q33.3Very low35.7Very low186 Ų186145 Ų14587%0.86977%0.773SS**  trans-81.373.5161.7-70.3-168.13.100110.3V281V281-Q283 PolarHBondContact O-N 2.76Å
284T30.9Very low36.3Very low119 Ų119145.7 Ų145.773%0.7377%0.774SS**  trans-64143153.938.70000109.3S282S282-T284 PolarHBondContact O-N 3.27Å; S282-T284 VanDerWaalsContact O-N 3.09Å
285T34.4Very low38Very low126 Ų126146.9 Ų146.977%0.77378%0.784SS**  trans-49.1150.9168.7-17.80000111.3T287T285-T287 PolarHBondContact O-N 2.97Å
286H38.6Very low40.1Very low198 Ų198143.4 Ų143.492%0.91776%0.761SS**SBendtrans-62.893.4177.5-91.1-92.1000112.5
287T27.8Very low42.8Very low124 Ų124137.2 Ų137.276%0.76174%0.738SS**  trans-135.4128.3158.8-3.30000107.7T285T285-T287 PolarHBondContact O-N 2.97Å
288H36.4Very low45.2Very low177 Ų177135.1 Ų135.182%0.81973%0.731SS**  trans-64.8137.5-176-71-127.9000111.4
289Q34.6Very low47.9Very low179 Ų179134.9 Ų134.984%0.83672%0.72SS**  -179141.1103.5-93.2167.721.500113.1
290N29.1Very low50.5Low154 Ų154129.9 Ų129.982%0.82469%0.687SS**  trans55.395.7163.3-64.80000120.2
291S35.9Very low53.1Low112 Ų112125.7 Ų125.778%0.78366%0.657SS**  trans-50.9150.8157.8-38.30000114.2
292L42.1Very low56Low143 Ų143119.4 Ų119.475%0.74962%0.619SS**  177.177.2124.4-95.9167.7000112F294L292-F294 HydrophobicContact CD2-CE1 4.38Å; L292-F294 HydrophobicContact CD2-CZ 4.11Å
293R37.9Very low58.5Low246 Ų246116.9 Ų116.993%0.92860%0.6SS**SBendtrans-138.5128.6154.1-71.9-168175.3178.8-1107.9S295R293-S295 PolarHBondContact O-N 2.95Å
294F51.3Low61.2Low155 Ų155112 Ų11268%0.6858%0.58SS**  trans-74.7115.1-170.2-57.1-84.3000110.7L292 T372L292-F294 HydrophobicContact CD2-CE1 4.38Å; L292-F294 HydrophobicContact CD2-CZ 4.11Å; F294-T372 HydrophobicContact CB-CG2 4.45Å
295S73.7Confident64Low103 Ų103109.7 Ų109.772%0.7257%0.565SS**PPolyproline II helixtrans-73.5130.4167.350.10000109.6R293 P297R293-S295 PolarHBondContact O-N 2.95Å; S295-P297 WeakPolarHBondContact O-CD 3.41Å
296I82.5Confident66.7Low54 Ų54109 Ų10928%0.27755%0.554SS.*PPolyproline II helixtrans-67.5128.2171.1-51.5-178000108.3F300 L301 V308 F368 M374I296-F300 HydrophobicContact CG2-CB 4.18Å; I296-F300 HydrophobicContact CG2-CD2 4.37Å; I296-L301 HydrophobicContact CG2-CD2 3.96Å; I296-L301 HydrophobicContact CG2-CG 4.45Å; I296-V308 HydrophobicContact CD1-CG2 3.87Å; I296-V308 HydrophobicContact CG2-CG2 4.1Å; I296-F368 HydrophobicContact CB-CE1 4.21Å; I296-F368 HydrophobicContact CB-CZ 4.11Å; I296-F368 HydrophobicContact CG1-CE1 3.93Å; I296-F368 HydrophobicContact CG1-CZ 3.94Å; I296-F368 HydrophobicContact CG2-CE1 3.83Å; I296-F368 HydrophobicContact CG2-CZ 4.13Å; I296-M374 HydrophobicContact CD1-CE 3.96Å; I296-M374 HydrophobicContact CD1-SD 4.27Å; I296-M374 HydrophobicContact CG1-SD 4.4Å
297P89.7Confident69.1Low43 Ų43104 Ų10428%0.27953%0.531SS..PPolyproline II helixtrans-57.8134.9172.2-27.536.5000112.3S295 E299 F300 F368S295-P297 WeakPolarHBondContact O-CD 3.41Å; P297-E299 HydrophobicContact CB-CG 3.57Å; P297-E299 PolarHBondContact O-N 3.1Å; P297-F300 HydrophobicContact CB-CD2 4Å; P297-F300 HydrophobicContact CB-CE2 4.04Å; P297-F300 HydrophobicContact CB-CG 4.32Å; P297-F300 HydrophobicContact CB-CZ 4.43Å; P297-F300 HydrophobicContact CG-CD2 3.89Å; P297-F300 HydrophobicContact CG-CE2 3.62Å; P297-F300 HydrophobicContact CG-CZ 4.25Å; P297-F300 WeakPolarHBondContact O-CB 3.43Å; P297-F300 PolarHBondContact O-N 3.22Å; P297-F368 HydrophobicContact CG-CE2 4.48Å
298E87.6Confident72.1Confident161 Ų161100 Ų10075%0.75251%0.506SS*.G310 helixtrans-57.8-33.8-179.4-172.2176.2177.900112.5F300 L301E298-F300 PolarHBondContact O-N 2.89Å; E298-F300 VanDerWaalsContact O-N 3.1Å; E298-L301 WeakPolarHBondContact O-CB 3.34Å; E298-L301 PolarHBondContact O-N 3.01Å
299E91Very high74.8Confident85 Ų8591.8 Ų91.840%0.39747%0.468SS..G310 helixtrans-57.6-18.9172.652.4169.1-166.300115P297 M309 L361 R364P297-E299 HydrophobicContact CB-CG 3.57Å; P297-E299 PolarHBondContact O-N 3.1Å; E299-M309 WeakPolarHBondContact O-CE 3.46Å; E299-L361 WeakPolarHBondContact O-CD1 3.16Å; E299-R364 IonicContact OE1-CZ 3.23Å; E299-R364 IonicContact OE1-NH1 3.3Å; E299-R364 IonicContact OE1-NH2 3.61Å; E299-R364 PolarHBondContact OE1-NH2 2.81Å; E299-R364 IonicContact OE2-CZ 2.67Å; E299-R364 IonicContact OE2-NH1 3.39Å; E299-R364 PolarHBondContact OE2-NH1 3.29Å; E299-R364 IonicContact OE2-NH2 2.69Å; E299-R364 PolarHBondContact OE2-NH2 2.85Å
300F93.6Very high77.6Confident11 Ų1186.2 Ų86.25%0.04845%0.453CS..G310 helixtrans-93.1-10176.5-60.6-16.4000112.8I296 P297 E298 V308 M309 L361 R364 I365 F368I296-F300 HydrophobicContact CG2-CB 4.18Å; I296-F300 HydrophobicContact CG2-CD2 4.37Å; P297-F300 HydrophobicContact CB-CD2 4Å; P297-F300 HydrophobicContact CB-CE2 4.04Å; P297-F300 HydrophobicContact CB-CG 4.32Å; P297-F300 HydrophobicContact CB-CZ 4.43Å; P297-F300 HydrophobicContact CG-CD2 3.89Å; P297-F300 HydrophobicContact CG-CE2 3.62Å; P297-F300 HydrophobicContact CG-CZ 4.25Å; P297-F300 WeakPolarHBondContact O-CB 3.43Å; P297-F300 PolarHBondContact O-N 3.22Å; E298-F300 PolarHBondContact O-N 2.89Å; E298-F300 VanDerWaalsContact O-N 3.1Å; F300-V308 WeakPolarHBondContact O-CA 3.49Å; F300-M309 PolarHBondContact O-N 2.82Å; F300-L361 HydrophobicContact CD1-CD1 3.99Å; F300-L361 HydrophobicContact CE1-CD1 4.2Å; F300-R364 HydrophobicContact CE1-CB 3.67Å; F300-R364 HydrophobicContact CZ-CB 3.94Å; F300-I365 HydrophobicContact CB-CD1 4.32Å; F300-I365 HydrophobicContact CB-CG1 3.8Å; F300-I365 HydrophobicContact CD1-CD1 4.41Å; F300-I365 HydrophobicContact CD1-CG1 3.5Å; F300-I365 HydrophobicContact CD2-CG1 4.49Å; F300-I365 HydrophobicContact CE1-CG1 4.24Å; F300-I365 HydrophobicContact CG-CG1 3.67Å; F300-F368 HydrophobicContact CD2-CB 3.99Å; F300-F368 AromaticContact CD2-CD1 3.93Å; F300-F368 HydrophobicContact CD2-CD1 3.93Å; F300-F368 HydrophobicContact CD2-CD2 4.27Å; F300-F368 AromaticContact CD2-CG 3.79Å; F300-F368 HydrophobicContact CD2-CG 3.79Å; F300-F368 HydrophobicContact CE2-CB 3.46Å; F300-F368 VanDerWaalsContact CE2-CB 3.46Å; F300-F368 HydrophobicContact CE2-CD1 4.15Å; F300-F368 AromaticContact CE2-CD2 3.78Å; F300-F368 HydrophobicContact CE2-CD2 3.78Å; F300-F368 AromaticContact CE2-CG 3.52Å; F300-F368 HydrophobicContact CE2-CG 3.52Å; F300-F368 HydrophobicContact CZ-CB 4.28Å
301L93.3Very high80.7Confident34 Ų3484 Ų8418%0.17844%0.441CS..BIsolated β-bridgetrans-93.5139.8-179.2-55.5-179.6000110.8I296 E298 P303 E307 V308 M309I296-L301 HydrophobicContact CG2-CD2 3.96Å; I296-L301 HydrophobicContact CG2-CG 4.45Å; E298-L301 WeakPolarHBondContact O-CB 3.34Å; E298-L301 PolarHBondContact O-N 3.01Å; L301-P303 WeakPolarHBondContact O-CD 3.32Å; L301-E307 CarbonylContact C-O 3.55Å; L301-E307 VanDerWaalsContact CA-O 3.31Å; L301-E307 WeakPolarHBondContact CA-O 3.37Å; L301-V308 HydrophobicContact CD2-CG2 3.84Å; L301-M309 WeakPolarHBondContact O-CE 3.36Å
302D93.4Very high83.6Confident1 Ų178.9 Ų78.91%0.00540%0.404CS..  trans-64.8124.5170-178.3-53.5000109.3L304 T305 Q306 E307 M309 V321 D322 T325D302-L304 PolarHBondContact O-N 3.5Å; D302-L304 VanDerWaalsContact O-N 3.12Å; D302-L304 WeakPolarHBondContact OD1-CA 3.44Å; D302-L304 WeakPolarHBondContact OD1-CB 3.28Å; D302-L304 PolarHBondContact OD1-N 2.95Å; D302-T305 VanDerWaalsContact CB-OG1 3.23Å; D302-T305 WeakPolarHBondContact CB-OG1 3.47Å; D302-T305 VanDerWaalsContact CG-OG1 3.28Å; D302-T305 PolarHBondContact OD1-N 2.65Å; D302-Q306 WeakPolarHBondContact O-CA 3.45Å; D302-Q306 PolarHBondContact O-N 3.35Å; D302-E307 PolarHBondContact N-O 2.77Å; D302-M309 HydrophobicContact CB-CG 3.81Å; D302-V321 WeakPolarHBondContact OD2-CG1 3.38Å; D302-D322 VanDerWaalsContact OD2-CB 3.29Å; D302-D322 WeakPolarHBondContact OD2-CB 3.03Å; D302-D322 PolarHBondContact OD2-N 2.97Å; D302-T325 WeakPolarHBondContact OD2-CB 3.4Å; D302-T325 WeakPolarHBondContact OD2-CG2 3.19Å; D302-T325 PolarHBondContact OD2-OG1 3.3Å
303P91.6Very high86.2Confident43 Ų4373.7 Ų73.728%0.27938%0.377SS..THydrogen-bonded Turntrans-60.7-24.6-177.5-2533.4000114.7L301 Q306 M319 S320 F344L301-P303 WeakPolarHBondContact O-CD 3.32Å; P303-Q306 PolarHBondContact O-NE2 2.83Å; P303-M319 HydrophobicContact CB-CE 4.44Å; P303-M319 HydrophobicContact CG-CE 3.89Å; P303-S320 WeakPolarHBondContact CD-O 3.21Å; P303-S320 WeakPolarHBondContact CG-O 3.27Å; P303-F344 HydrophobicContact CB-CE1 4.36Å; P303-F344 HydrophobicContact CB-CZ 3.98Å; P303-F344 HydrophobicContact CG-CZ 4.31Å
304L89.4Confident88.9Confident85 Ų8565.3 Ų65.345%0.44535%0.35SS..THydrogen-bonded Turntrans-96-38.9-176.4-57.8175000112.8D302 V321 T325 P343 F344D302-L304 PolarHBondContact O-N 3.5Å; D302-L304 VanDerWaalsContact O-N 3.12Å; D302-L304 WeakPolarHBondContact OD1-CA 3.44Å; D302-L304 WeakPolarHBondContact OD1-CB 3.28Å; D302-L304 PolarHBondContact OD1-N 2.95Å; L304-V321 HydrophobicContact CD1-CG1 4.21Å; L304-T325 HydrophobicContact CB-CG2 3.94Å; L304-T325 HydrophobicContact CD1-CG2 3.89Å; L304-T325 HydrophobicContact CG-CG2 4.49Å; L304-P343 HydrophobicContact CD1-CB 4.11Å; L304-P343 HydrophobicContact CD1-CG 4.4Å; L304-F344 HydrophobicContact CD1-CZ 4.47Å; L304-F344 HydrophobicContact CD2-CE1 3.87Å; L304-F344 HydrophobicContact CD2-CZ 4.08Å; L304-F344 HydrophobicContact CG-CE1 4.41Å; L304-F344 HydrophobicContact CG-CZ 4.1Å
305T90.4Very high91Very high69 Ų6958.1 Ų58.142%0.42332%0.319SS..THydrogen-bonded Turntrans-100.2-17.1-179.564.90000114.1D302 E307 T325D302-T305 VanDerWaalsContact CB-OG1 3.23Å; D302-T305 WeakPolarHBondContact CB-OG1 3.47Å; D302-T305 VanDerWaalsContact CG-OG1 3.28Å; D302-T305 PolarHBondContact OD1-N 2.65Å; T305-E307 PolarHBondContact O-N 3.01Å; T305-T325 HydrophobicContact CG2-CG2 3.79Å; T305-T325 WeakPolarHBondContact CG2-OG1 3.5Å
306Q90.8Very high91.7Very high112 Ų11256.5 Ų56.552%0.52331%0.305SS..  trans5918.7-176.5-58.3-72.1-50.500113.9D302 P303D302-Q306 WeakPolarHBondContact O-CA 3.45Å; D302-Q306 PolarHBondContact O-N 3.35Å; P303-Q306 PolarHBondContact O-NE2 2.83Å
307E89.4Confident92Very high93 Ų9356 Ų5644%0.43531%0.307SS..SBendtrans-93.8159.8170.2-58.5-137.2114.700111.2L301 D302 T305 M309 R376L301-E307 CarbonylContact C-O 3.55Å; L301-E307 VanDerWaalsContact CA-O 3.31Å; L301-E307 WeakPolarHBondContact CA-O 3.37Å; D302-E307 PolarHBondContact N-O 2.77Å; T305-E307 PolarHBondContact O-N 3.01Å; E307-M309 PolarHBondContact O-N 2.79Å; E307-R376 VanDerWaalsContact CD-NH1 3.3Å; E307-R376 IonicContact OE1-CZ 3.32Å; E307-R376 IonicContact OE1-NH1 3.05Å; E307-R376 PolarHBondContact OE1-NH1 2.89Å; E307-R376 IonicContact OE1-NH2 2.67Å; E307-R376 PolarHBondContact OE1-NH2 2.84Å; E307-R376 IonicContact OE2-CZ 3.8Å; E307-R376 IonicContact OE2-NH1 2.89Å; E307-R376 PolarHBondContact OE2-NH1 3.18Å; E307-R376 IonicContact OE2-NH2 3.82Å
308V91Very high92Very high40 Ų4056.4 Ų56.424%0.24232%0.319CS..BIsolated β-bridgetrans-66.4123.1174.9179.10000109.9I296 F300 L301 A310 I365 L369I296-V308 HydrophobicContact CD1-CG2 3.87Å; I296-V308 HydrophobicContact CG2-CG2 4.1Å; F300-V308 WeakPolarHBondContact O-CA 3.49Å; L301-V308 HydrophobicContact CD2-CG2 3.84Å; V308-A310 PolarHBondContact O-N 3.12Å; V308-I365 HydrophobicContact CG1-CG2 3.55Å; V308-L369 HydrophobicContact CG1-CD1 4.37Å; V308-L369 HydrophobicContact CG1-CD2 4.37Å
309M93.1Very high92.2Very high4 Ų452.8 Ų52.82%0.0230%0.303CS..PPolyproline II helixtrans-62.2121.4-178.7-69.3177.2-8000111.4E299 F300 L301 D302 E307 P312 D322 L361 I365E299-M309 WeakPolarHBondContact O-CE 3.46Å; F300-M309 PolarHBondContact O-N 2.82Å; L301-M309 WeakPolarHBondContact O-CE 3.36Å; D302-M309 HydrophobicContact CB-CG 3.81Å; E307-M309 PolarHBondContact O-N 2.79Å; M309-P312 HydrophobicContact CB-CB 4.03Å; M309-P312 HydrophobicContact CE-CB 4.36Å; M309-P312 HydrophobicContact CG-CB 4.5Å; M309-P312 HydrophobicContact SD-CB 3.76Å; M309-D322 HydrophobicContact CB-CB 4.45Å; M309-D322 HydrophobicContact CG-CB 4.17Å; M309-L361 HydrophobicContact CE-CD2 3.72Å; M309-I365 HydrophobicContact CB-CD1 3.97Å; M309-I365 HydrophobicContact CE-CD1 4.46Å
310A91.9Very high92.4Very high63 Ų6349.5 Ų49.552%0.52129%0.29SS..SBendtrans-81.8-34.4175.400000111.7V308 D322 K362V308-A310 PolarHBondContact O-N 3.12Å; A310-D322 WeakPolarHBondContact CA-OD1 3.38Å; A310-D322 PolarHBondContact N-OD1 3.02Å; A310-K362 WeakPolarHBondContact O-CD 3.36Å; A310-K362 WeakPolarHBondContact O-CE 3.47Å
311L94.5Very high92.5Very high108 Ų10849 Ų4957%0.56529%0.287SS*.SBendtrans-140.181.7175.8-69.8176.5000109M313 D322 A323L311-M313 PolarHBondContact O-N 3.39Å; L311-D322 PolarHBondContact N-OD1 3.02Å; L311-A323 HydrophobicContact CB-CB 3.83Å; L311-A323 HydrophobicContact CD1-CB 4.47Å; L311-A323 PolarHBondContact O-N 2.94Å
312P96.9Very high92.7Very high3 Ų348 Ų482%0.01928%0.282CS..EExtended strand (participates in β ladder)trans-65.3122.7-17926.8-34.5000111.1M309 N358 L361 K362 I365M309-P312 HydrophobicContact CB-CB 4.03Å; M309-P312 HydrophobicContact CE-CB 4.36Å; M309-P312 HydrophobicContact CG-CB 4.5Å; M309-P312 HydrophobicContact SD-CB 3.76Å; P312-N358 HydrophobicContact CB-CB 4.27Å; P312-N358 HydrophobicContact CG-CB 4.38Å; P312-N358 WeakPolarHBondContact O-CB 3.26Å; P312-N358 PolarHBondContact O-N 2.88Å; P312-L361 HydrophobicContact CB-CD2 4.07Å; P312-L361 HydrophobicContact CB-CG 4.43Å; P312-L361 HydrophobicContact CG-CB 4.27Å; P312-L361 HydrophobicContact CG-CG 4.43Å; P312-K362 HydrophobicContact CG-CB 3.88Å; P312-I365 HydrophobicContact CG-CD1 4.27Å
313M96.4Very high92.8Very high35 Ų3548.8 Ų48.817%0.17229%0.289CS..EExtended strand (participates in β ladder)trans-104.8116.8174.2-65-64.2-68.700109L311 S320 V321 A323 L326 A355 L356 P357L311-M313 PolarHBondContact O-N 3.39Å; M313-S320 WeakPolarHBondContact O-CA 3.41Å; M313-V321 PolarHBondContact N-O 3.49Å; M313-V321 PolarHBondContact O-N 3.42Å; M313-A323 HydrophobicContact CG-CB 3.8Å; M313-A323 HydrophobicContact SD-CB 4.5Å; M313-L326 HydrophobicContact CB-CD2 4.1Å; M313-L326 HydrophobicContact CG-CD2 4.42Å; M313-A355 HydrophobicContact CB-CB 4.49Å; M313-A355 HydrophobicContact CE-CB 3.98Å; M313-L356 CarbonylContact C-O 3.52Å; M313-L356 WeakPolarHBondContact CA-O 3.17Å; M313-P357 HydrophobicContact CE-CG 4.29Å; M313-P357 HydrophobicContact SD-CB 4.2Å; M313-P357 HydrophobicContact SD-CG 3.93Å
314L95.6Very high93Very high69 Ų6950.3 Ų50.336%0.36130%0.301SS..EExtended strand (participates in β ladder)trans-74.3126.7171.4-178.864.8000109.6G318 A355 L356 N358L314-G318 VanDerWaalsContact CD1-O 3.3Å; L314-G318 WeakPolarHBondContact CD1-O 3.27Å; L314-A355 CarbonylContact O-C 3.46Å; L314-A355 WeakPolarHBondContact O-CA 3.48Å; L314-L356 PolarHBondContact N-O 3.19Å; L314-L356 PolarHBondContact O-N 3.33Å; L314-N358 HydrophobicContact CB-CB 4.18Å
315L94.6Very high93.2Very high5 Ų547 Ų473%0.02628%0.284CS..  trans-94.5161.7179.7-58.9176.4000111.9S317 G318 M319 V321 L326 D342 F344 F349 A355L315-S317 WeakPolarHBondContact CB-OG 3.46Å; L315-S317 PolarHBondContact O-N 3.45Å; L315-G318 PolarHBondContact O-N 2.92Å; L315-M319 WeakPolarHBondContact CB-O 3.36Å; L315-M319 HydrophobicContact CD1-CB 4.42Å; L315-M319 PolarHBondContact N-O 3.36Å; L315-V321 HydrophobicContact CD1-CG2 3.79Å; L315-L326 HydrophobicContact CD2-CD1 4.03Å; L315-L326 HydrophobicContact CD2-CD2 3.89Å; L315-D342 WeakPolarHBondContact CB-OD2 3.48Å; L315-F344 HydrophobicContact CD1-CD2 3.71Å; L315-F344 HydrophobicContact CD1-CE2 3.63Å; L315-F349 HydrophobicContact CD2-CZ 4.12Å; L315-A355 HydrophobicContact CD2-CB 3.8Å
316P89.3Confident93.5Very high68 Ų6844 Ų4444%0.44227%0.265SS..THydrogen-bonded Turntrans-58.2-24.6172.2-24.835.9000114.2G318 F349 C353P316-G318 PolarHBondContact O-N 3Å; P316-F349 HydrophobicContact CG-CD1 4.19Å; P316-F349 HydrophobicContact CG-CE1 4.1Å; P316-C353 HydrophobicContact CG-CB 4.3Å
317S87.9Confident93.7Very high44 Ų4445.1 Ų45.131%0.30827%0.271SS..THydrogen-bonded Turntrans-69.8-7.2170.351.30000114.9L315 M319 D342L315-S317 WeakPolarHBondContact CB-OG 3.46Å; L315-S317 PolarHBondContact O-N 3.45Å; S317-M319 VanDerWaalsContact C-N 3.26Å; S317-M319 PolarHBondContact O-N 3.06Å; S317-D342 WeakPolarHBondContact CB-OD2 3.41Å; S317-D342 PolarHBondContact N-OD2 3.45Å; S317-D342 PolarHBondContact OG-OD1 3.36Å; S317-D342 PolarHBondContact OG-OD2 3.26Å
318G89.8Confident94Very high52 Ų5245.8 Ų45.854%0.53627%0.274SS..SBendtrans83.5-8.5-175.200000114.5L314 L315 P316L314-G318 VanDerWaalsContact CD1-O 3.3Å; L314-G318 WeakPolarHBondContact CD1-O 3.27Å; L315-G318 PolarHBondContact O-N 2.92Å; P316-G318 PolarHBondContact O-N 3Å
319M92.9Very high94.2Very high84 Ų8445.8 Ų45.841%0.41427%0.27SS..  trans-75.2147.9174.5-61.7-55.7-64.300111.2P303 L315 S317 F344P303-M319 HydrophobicContact CB-CE 4.44Å; P303-M319 HydrophobicContact CG-CE 3.89Å; L315-M319 WeakPolarHBondContact CB-O 3.36Å; L315-M319 HydrophobicContact CD1-CB 4.42Å; L315-M319 PolarHBondContact N-O 3.36Å; S317-M319 VanDerWaalsContact C-N 3.26Å; S317-M319 PolarHBondContact O-N 3.06Å; M319-F344 HydrophobicContact CB-CD2 3.75Å; M319-F344 HydrophobicContact CB-CE2 3.56Å; M319-F344 HydrophobicContact CB-CZ 4.36Å; M319-F344 HydrophobicContact CG-CD2 3.79Å; M319-F344 HydrophobicContact CG-CE2 3.93Å; M319-F344 HydrophobicContact CG-CG 4.25Å
320S95.3Very high94.2Very high17 Ų1748.2 Ų48.212%0.11928%0.281CS..EExtended strand (participates in β ladder)trans-105.3138.8167.8-63.80000110.3P303 M313 N358P303-S320 WeakPolarHBondContact CD-O 3.21Å; P303-S320 WeakPolarHBondContact CG-O 3.27Å; M313-S320 WeakPolarHBondContact O-CA 3.41Å; S320-N358 PolarHBondContact OG-ND2 3.35Å
321V96.1Very high94.4Very high0 Ų053 Ų530%029%0.29CS..EExtended strand (participates in β ladder)trans-139.4151.9-178.5177.20000107.9D302 L304 M313 L315 T325 L326 F344D302-V321 WeakPolarHBondContact OD2-CG1 3.38Å; L304-V321 HydrophobicContact CD1-CG1 4.21Å; M313-V321 PolarHBondContact N-O 3.49Å; M313-V321 PolarHBondContact O-N 3.42Å; L315-V321 HydrophobicContact CD1-CG2 3.79Å; V321-T325 HydrophobicContact CG1-CG2 3.65Å; V321-L326 HydrophobicContact CG1-CB 4.45Å; V321-F344 HydrophobicContact CG2-CE2 3.55Å; V321-F344 HydrophobicContact CG2-CZ 3.85Å
322D96.6Very high94.4Very high12 Ų1254 Ų546%0.06429%0.286CS..EExtended strand (participates in β ladder)trans-66.3144.6175.5-168.279.7000112D302 M309 A310 L311 S324 T325 L326D302-D322 VanDerWaalsContact OD2-CB 3.29Å; D302-D322 WeakPolarHBondContact OD2-CB 3.03Å; D302-D322 PolarHBondContact OD2-N 2.97Å; M309-D322 HydrophobicContact CB-CB 4.45Å; M309-D322 HydrophobicContact CG-CB 4.17Å; A310-D322 WeakPolarHBondContact CA-OD1 3.38Å; A310-D322 PolarHBondContact N-OD1 3.02Å; L311-D322 PolarHBondContact N-OD1 3.02Å; D322-S324 VanDerWaalsContact C-N 3.27Å; D322-S324 PolarHBondContact O-N 3.23Å; D322-S324 WeakPolarHBondContact OD2-CB 3.46Å; D322-S324 PolarHBondContact OD2-N 3.19Å; D322-S324 PolarHBondContact OD2-OG 3.09Å; D322-T325 WeakPolarHBondContact O-CB 3.47Å; D322-T325 PolarHBondContact O-N 2.79Å; D322-L326 WeakPolarHBondContact O-CB 3.35Å; D322-L326 PolarHBondContact O-N 2.88Å
323A95.6Very high94.3Very high19 Ų1954.6 Ų54.616%0.15729%0.289CS..Hα-helixtrans-54.3-41.2176.400000112.7L311 M313 L326 E327L311-A323 HydrophobicContact CB-CB 3.83Å; L311-A323 HydrophobicContact CD1-CB 4.47Å; L311-A323 PolarHBondContact O-N 2.94Å; M313-A323 HydrophobicContact CG-CB 3.8Å; M313-A323 HydrophobicContact SD-CB 4.5Å; A323-L326 PolarHBondContact O-N 2.87Å; A323-E327 WeakPolarHBondContact O-CB 3.49Å; A323-E327 WeakPolarHBondContact O-CG 3.36Å; A323-E327 PolarHBondContact O-N 2.85Å
324S94.9Very high94.1Very high75 Ų7555.7 Ų55.752%0.52430%0.304SS..Hα-helixtrans-69-41.6179.964.90000112.6D322 L326 E327 E328D322-S324 VanDerWaalsContact C-N 3.27Å; D322-S324 PolarHBondContact O-N 3.23Å; D322-S324 WeakPolarHBondContact OD2-CB 3.46Å; D322-S324 PolarHBondContact OD2-N 3.19Å; D322-S324 PolarHBondContact OD2-OG 3.09Å; S324-L326 VanDerWaalsContact C-N 3.31Å; S324-L326 PolarHBondContact O-N 3.34Å; S324-E327 PolarHBondContact O-N 3.35Å; S324-E328 PolarHBondContact O-N 3.33Å
325T95.4Very high94.1Very high16 Ų1656.4 Ų56.410%0.09832%0.319CS..Hα-helixtrans-57.8-44.8171.6-55.60000111.3D302 L304 T305 V321 D322 E328 Y329D302-T325 WeakPolarHBondContact OD2-CB 3.4Å; D302-T325 WeakPolarHBondContact OD2-CG2 3.19Å; D302-T325 PolarHBondContact OD2-OG1 3.3Å; L304-T325 HydrophobicContact CB-CG2 3.94Å; L304-T325 HydrophobicContact CD1-CG2 3.89Å; L304-T325 HydrophobicContact CG-CG2 4.49Å; T305-T325 HydrophobicContact CG2-CG2 3.79Å; T305-T325 WeakPolarHBondContact CG2-OG1 3.5Å; V321-T325 HydrophobicContact CG1-CG2 3.65Å; D322-T325 WeakPolarHBondContact O-CB 3.47Å; D322-T325 PolarHBondContact O-N 2.79Å; T325-E328 PolarHBondContact O-N 2.9Å; T325-Y329 WeakPolarHBondContact O-CB 3.06Å; T325-Y329 PolarHBondContact O-N 2.94Å
326L95Very high93.9Very high5 Ų564.9 Ų64.93%0.02635%0.351CS..Hα-helixtrans-68.6-40.5-179.2-179.761.1000112.1M313 L315 V321 D322 A323 S324 Y329 Q330 P343 F349 A355M313-L326 HydrophobicContact CB-CD2 4.1Å; M313-L326 HydrophobicContact CG-CD2 4.42Å; L315-L326 HydrophobicContact CD2-CD1 4.03Å; L315-L326 HydrophobicContact CD2-CD2 3.89Å; V321-L326 HydrophobicContact CG1-CB 4.45Å; D322-L326 WeakPolarHBondContact O-CB 3.35Å; D322-L326 PolarHBondContact O-N 2.88Å; A323-L326 PolarHBondContact O-N 2.87Å; S324-L326 VanDerWaalsContact C-N 3.31Å; S324-L326 PolarHBondContact O-N 3.34Å; L326-Y329 PolarHBondContact O-N 2.84Å; L326-Q330 VanDerWaalsContact O-CG 3.3Å; L326-Q330 WeakPolarHBondContact O-CG 3.33Å; L326-Q330 PolarHBondContact O-N 2.91Å; L326-P343 HydrophobicContact CD1-CG 4.09Å; L326-F349 HydrophobicContact CD1-CE2 4.36Å; L326-F349 HydrophobicContact CD1-CZ 4.29Å; L326-A355 HydrophobicContact CD2-CB 3.53Å
327E95.1Very high94Very high136 Ų13665 Ų6564%0.63637%0.365SS*.Hα-helixtrans-63.1-44.2172.9-78.1-179.1-162.700112A323 S324 Y329 Q330 K331A323-E327 WeakPolarHBondContact O-CB 3.49Å; A323-E327 WeakPolarHBondContact O-CG 3.36Å; A323-E327 PolarHBondContact O-N 2.85Å; S324-E327 PolarHBondContact O-N 3.35Å; E327-Y329 PolarHBondContact O-N 2.86Å; E327-Q330 PolarHBondContact O-N 2.96Å; E327-K331 VanDerWaalsContact O-CB 3.29Å; E327-K331 WeakPolarHBondContact O-CB 3.48Å; E327-K331 PolarHBondContact O-N 3.4Å
328E95.4Very high94.2Very high107 Ų10768.9 Ų68.950%0.537%0.373SS..Hα-helixtrans-66.8-38178.9-150.9-136.1128.600111.7S324 T325 K331 R332S324-E328 PolarHBondContact O-N 3.33Å; T325-E328 PolarHBondContact O-N 2.9Å; E328-K331 PolarHBondContact O-N 2.86Å; E328-R332 WeakPolarHBondContact O-CB 3.33Å; E328-R332 PolarHBondContact O-N 2.76Å; E328-R332 IonicContact OE1-CZ 3.62Å; E328-R332 IonicContact OE1-NE 3.71Å; E328-R332 PolarHBondContact OE1-NE 2.86Å; E328-R332 IonicContact OE1-NH2 2.65Å; E328-R332 PolarHBondContact OE1-NH2 2.85Å; E328-R332 IonicContact OE2-NH2 3.15Å; E328-R332 PolarHBondContact OE2-NH2 3.06Å
329Y95.2Very high94.3Very high40 Ų4069.7 Ų69.716%0.15737%0.369CS..Hα-helixtrans-58.8-52.6171.6176-93.1000111.8T325 L326 E327 K331 R332 E333 N341 P343T325-Y329 WeakPolarHBondContact O-CB 3.06Å; T325-Y329 PolarHBondContact O-N 2.94Å; L326-Y329 PolarHBondContact O-N 2.84Å; E327-Y329 PolarHBondContact O-N 2.86Å; Y329-K331 VanDerWaalsContact C-N 3.3Å; Y329-K331 PolarHBondContact O-N 3.42Å; Y329-R332 WeakPolarHBondContact O-CB 3.42Å; Y329-R332 PolarHBondContact O-N 2.92Å; Y329-E333 HydrophobicContact CD1-CG 4.28Å; Y329-E333 HydrophobicContact CE1-CG 3.74Å; Y329-E333 HydrophobicContact CE2-CG 4.1Å; Y329-E333 PolarHBondContact O-N 3.06Å; Y329-N341 WeakPolarHBondContact CE1-O 3.44Å; Y329-N341 PolarHBondContact OH-OD1 2.83Å; Y329-N341 VanDerWaalsContact OH-OD1 3.1Å; Y329-P343 HydrophobicContact CD1-CB 4.35Å; Y329-P343 HydrophobicContact CD1-CG 3.7Å; Y329-P343 HydrophobicContact CD2-CB 4.25Å; Y329-P343 HydrophobicContact CD2-CG 4.3Å; Y329-P343 HydrophobicContact CE1-CB 4.17Å; Y329-P343 HydrophobicContact CE1-CG 3.85Å; Y329-P343 HydrophobicContact CE2-CB 4.07Å; Y329-P343 HydrophobicContact CE2-CG 4.44Å; Y329-P343 HydrophobicContact CG-CB 4.39Å; Y329-P343 HydrophobicContact CG-CG 3.95Å
330Q94.7Very high94.3Very high54 Ų5468.8 Ų68.825%0.25237%0.369SS..Hα-helixtrans-60.2-40.5179.4-71.9176.937.100111.9L326 E327 R332 E333 A334 P340L326-Q330 VanDerWaalsContact O-CG 3.3Å; L326-Q330 WeakPolarHBondContact O-CG 3.33Å; L326-Q330 PolarHBondContact O-N 2.91Å; E327-Q330 PolarHBondContact O-N 2.96Å; Q330-R332 VanDerWaalsContact C-N 3.3Å; Q330-R332 PolarHBondContact O-N 3.02Å; Q330-E333 PolarHBondContact O-N 2.9Å; Q330-A334 VanDerWaalsContact O-CB 3.25Å; Q330-A334 WeakPolarHBondContact O-CB 3.5Å; Q330-A334 PolarHBondContact O-N 3.43Å; Q330-P340 HydrophobicContact CG-CB 4.14Å
331K95.6Very high94.1Very high164 Ų16468.4 Ų68.471%0.71337%0.366SS*.Hα-helixtrans-61.2-36.6175-177-179.5180-178.80112.4E327 E328 Y329 A335E327-K331 VanDerWaalsContact O-CB 3.29Å; E327-K331 WeakPolarHBondContact O-CB 3.48Å; E327-K331 PolarHBondContact O-N 3.4Å; E328-K331 PolarHBondContact O-N 2.86Å; Y329-K331 VanDerWaalsContact C-N 3.3Å; Y329-K331 PolarHBondContact O-N 3.42Å; K331-A335 PolarHBondContact O-N 2.9Å
332R94.3Very high94Very high128 Ų12868.4 Ų68.448%0.48337%0.366SS..Hα-helixtrans-71.4-43.5177.7-137.4179.2-62.2122.5-9.5111.9E328 Y329 Q330 A335E328-R332 WeakPolarHBondContact O-CB 3.33Å; E328-R332 PolarHBondContact O-N 2.76Å; E328-R332 IonicContact OE1-CZ 3.62Å; E328-R332 IonicContact OE1-NE 3.71Å; E328-R332 PolarHBondContact OE1-NE 2.86Å; E328-R332 IonicContact OE1-NH2 2.65Å; E328-R332 PolarHBondContact OE1-NH2 2.85Å; E328-R332 IonicContact OE2-NH2 3.15Å; E328-R332 PolarHBondContact OE2-NH2 3.06Å; Y329-R332 WeakPolarHBondContact O-CB 3.42Å; Y329-R332 PolarHBondContact O-N 2.92Å; Q330-R332 VanDerWaalsContact C-N 3.3Å; Q330-R332 PolarHBondContact O-N 3.02Å; R332-A335 WeakPolarHBondContact O-CB 2.91Å; R332-A335 PolarHBondContact O-N 3.3Å
333E93.9Very high93.8Very high17 Ų1769.1 Ų69.18%0.07937%0.371CS..Hα-helixtrans-67.6-37.1176-70.8-69.8107.200112.3Y329 Q330 A335 W336 G337 R338Y329-E333 HydrophobicContact CD1-CG 4.28Å; Y329-E333 HydrophobicContact CE1-CG 3.74Å; Y329-E333 HydrophobicContact CE2-CG 4.1Å; Y329-E333 PolarHBondContact O-N 3.06Å; Q330-E333 PolarHBondContact O-N 2.9Å; E333-A335 VanDerWaalsContact C-N 3.26Å; E333-A335 PolarHBondContact O-N 2.85Å; E333-W336 CarbonylContact O-C 3.6Å; E333-W336 WeakPolarHBondContact O-CA 3.5Å; E333-W336 PolarHBondContact O-N 2.83Å; E333-G337 PolarHBondContact O-N 2.8Å; E333-R338 HydrophobicContact CB-CB 4.26Å; E333-R338 WeakPolarHBondContact O-CB 3.45Å; E333-R338 PolarHBondContact O-N 3.35Å; E333-R338 IonicContact OE1-NH1 3.2Å; E333-R338 PolarHBondContact OE1-NH1 2.93Å; E333-R338 WeakPolarHBondContact OE2-CD 3.41Å; E333-R338 IonicContact OE2-CZ 2.74Å; E333-R338 IonicContact OE2-NE 3.33Å; E333-R338 IonicContact OE2-NH1 2.72Å; E333-R338 PolarHBondContact OE2-NH1 3.24Å
334A93.5Very high93.6Very high58 Ų5872.3 Ų72.348%0.47938%0.381SS..Hα-helixtrans-63.2-30.217500000112.8Q330 W336 G337Q330-A334 VanDerWaalsContact O-CB 3.25Å; Q330-A334 WeakPolarHBondContact O-CB 3.5Å; Q330-A334 PolarHBondContact O-N 3.43Å; A334-W336 PolarHBondContact O-N 2.87Å; A334-G337 PolarHBondContact O-N 3.47Å
335A94.1Very high93.2Very high83 Ų8372.5 Ų72.569%0.68638%0.38SS*.THydrogen-bonded Turntrans-66.2-15.5172.200000113.3K331 R332 E333K331-A335 PolarHBondContact O-N 2.9Å; R332-A335 WeakPolarHBondContact O-CB 2.91Å; R332-A335 PolarHBondContact O-N 3.3Å; E333-A335 VanDerWaalsContact C-N 3.26Å; E333-A335 PolarHBondContact O-N 2.85Å
336W91.1Very high92.7Very high183 Ų18373.9 Ų73.969%0.69340%0.397SS*.THydrogen-bonded Turntrans-102.914170-62.8-17.8000112.9E333 A334 R338E333-W336 CarbonylContact O-C 3.6Å; E333-W336 WeakPolarHBondContact O-CA 3.5Å; E333-W336 PolarHBondContact O-N 2.83Å; A334-W336 PolarHBondContact O-N 2.87Å; W336-R338 VanDerWaalsContact C-N 3.26Å; W336-R338 PolarHBondContact O-N 2.94Å
337G91.7Very high92.3Very high72 Ų7277.6 Ų77.674%0.74242%0.42SS*.THydrogen-bonded Turntrans71.514.7178.300000114.7E333 A334E333-G337 PolarHBondContact O-N 2.8Å; A334-G337 PolarHBondContact O-N 3.47Å
338R92.5Very high92.1Very high124 Ų12474 Ų7447%0.46841%0.409SS..PPolyproline II helixtrans-87147179.8-63.9173.6176.8179.50.5111.1E333 W336E333-R338 HydrophobicContact CB-CB 4.26Å; E333-R338 WeakPolarHBondContact O-CB 3.45Å; E333-R338 PolarHBondContact O-N 3.35Å; E333-R338 IonicContact OE1-NH1 3.2Å; E333-R338 PolarHBondContact OE1-NH1 2.93Å; E333-R338 WeakPolarHBondContact OE2-CD 3.41Å; E333-R338 IonicContact OE2-CZ 2.74Å; E333-R338 IonicContact OE2-NE 3.33Å; E333-R338 IonicContact OE2-NH1 2.72Å; E333-R338 PolarHBondContact OE2-NH1 3.24Å; W336-R338 VanDerWaalsContact C-N 3.26Å; W336-R338 PolarHBondContact O-N 2.94Å
339P91.2Very high91.9Very high70 Ų7070.9 Ų70.946%0.45539%0.393SS..PPolyproline II helixtrans-68.6158.6172.430.8-35.8000111.4N341 P348P339-N341 PolarHBondContact O-N 2.9Å; P339-N341 PolarHBondContact O-ND2 3.29Å; P339-P348 HydrophobicContact CB-CB 4.48Å; P339-P348 HydrophobicContact CG-CB 3.92Å; P339-P348 HydrophobicContact CG-CG 4.01Å
340P92.4Very high91.6Very high64 Ų6472.3 Ų72.342%0.41641%0.406SS..PPolyproline II helixtrans-48.8129.9166-2937.7000111.2Q330 P348 F349Q330-P340 HydrophobicContact CG-CB 4.14Å; P340-P348 WeakPolarHBondContact O-CA 3.39Å; P340-F349 HydrophobicContact CB-CD2 3.74Å; P340-F349 HydrophobicContact CB-CE2 4.46Å; P340-F349 PolarHBondContact O-N 2.84Å
341N92.8Very high91.1Very high9 Ų975.3 Ų75.35%0.04843%0.433CS..BIsolated β-bridgetrans-149.6161.5-173.669.895.5000111.9Y329 P339 P343 V347 F349Y329-N341 WeakPolarHBondContact CE1-O 3.44Å; Y329-N341 PolarHBondContact OH-OD1 2.83Å; Y329-N341 VanDerWaalsContact OH-OD1 3.1Å; P339-N341 PolarHBondContact O-N 2.9Å; P339-N341 PolarHBondContact O-ND2 3.29Å; N341-P343 WeakPolarHBondContact O-CD 3.39Å; N341-V347 VanDerWaalsContact CA-O 3.31Å; N341-V347 WeakPolarHBondContact CA-O 3.5Å; N341-V347 WeakPolarHBondContact CB-O 3.14Å; N341-F349 VanDerWaalsContact C-CZ 3.42Å; N341-F349 WeakPolarHBondContact O-CE2 3.45Å; N341-F349 WeakPolarHBondContact O-CZ 3.4Å
342D93.8Very high90.4Very high1 Ų173.3 Ų73.31%0.00544%0.435CS..  trans-71.8119.9179.2174.6-70.8000111.2L315 S317 F344 T345 G346 V347 F349L315-D342 WeakPolarHBondContact CB-OD2 3.48Å; S317-D342 WeakPolarHBondContact CB-OD2 3.41Å; S317-D342 PolarHBondContact N-OD2 3.45Å; S317-D342 PolarHBondContact OG-OD1 3.36Å; S317-D342 PolarHBondContact OG-OD2 3.26Å; D342-F344 PolarHBondContact O-N 3.3Å; D342-F344 VanDerWaalsContact O-N 3.07Å; D342-F344 PolarHBondContact OD1-N 3.08Å; D342-T345 VanDerWaalsContact CB-OG1 3.3Å; D342-T345 WeakPolarHBondContact CB-OG1 3.48Å; D342-T345 PolarHBondContact O-N 3.28Å; D342-T345 PolarHBondContact OD1-N 3.31Å; D342-T345 PolarHBondContact OD1-OG1 2.9Å; D342-G346 WeakPolarHBondContact O-CA 3.39Å; D342-G346 PolarHBondContact O-N 2.75Å; D342-V347 PolarHBondContact N-O 2.69Å; D342-F349 HydrophobicContact CB-CE1 3.88Å; D342-F349 HydrophobicContact CB-CZ 4.29Å
343P91.6Very high89.9Confident27 Ų2769.8 Ų69.818%0.17543%0.429CS..THydrogen-bonded Turntrans-59.1-21.7-174.5-26.232.3000116.8L304 L326 Y329 N341L304-P343 HydrophobicContact CD1-CB 4.11Å; L304-P343 HydrophobicContact CD1-CG 4.4Å; L326-P343 HydrophobicContact CD1-CG 4.09Å; Y329-P343 HydrophobicContact CD1-CB 4.35Å; Y329-P343 HydrophobicContact CD1-CG 3.7Å; Y329-P343 HydrophobicContact CD2-CB 4.25Å; Y329-P343 HydrophobicContact CD2-CG 4.3Å; Y329-P343 HydrophobicContact CE1-CB 4.17Å; Y329-P343 HydrophobicContact CE1-CG 3.85Å; Y329-P343 HydrophobicContact CE2-CB 4.07Å; Y329-P343 HydrophobicContact CE2-CG 4.44Å; Y329-P343 HydrophobicContact CG-CB 4.39Å; Y329-P343 HydrophobicContact CG-CG 3.95Å; N341-P343 WeakPolarHBondContact O-CD 3.39Å
344F90.7Very high89.7Confident85 Ų8573.9 Ų73.937%0.37345%0.448SS..THydrogen-bonded Turntrans-99.4-23.8-174.5-56.9-73.7000112.9P303 L304 L315 M319 V321 D342P303-F344 HydrophobicContact CB-CE1 4.36Å; P303-F344 HydrophobicContact CB-CZ 3.98Å; P303-F344 HydrophobicContact CG-CZ 4.31Å; L304-F344 HydrophobicContact CD1-CZ 4.47Å; L304-F344 HydrophobicContact CD2-CE1 3.87Å; L304-F344 HydrophobicContact CD2-CZ 4.08Å; L304-F344 HydrophobicContact CG-CE1 4.41Å; L304-F344 HydrophobicContact CG-CZ 4.1Å; L315-F344 HydrophobicContact CD1-CD2 3.71Å; L315-F344 HydrophobicContact CD1-CE2 3.63Å; M319-F344 HydrophobicContact CB-CD2 3.75Å; M319-F344 HydrophobicContact CB-CE2 3.56Å; M319-F344 HydrophobicContact CB-CZ 4.36Å; M319-F344 HydrophobicContact CG-CD2 3.79Å; M319-F344 HydrophobicContact CG-CE2 3.93Å; M319-F344 HydrophobicContact CG-CG 4.25Å; V321-F344 HydrophobicContact CG2-CE2 3.55Å; V321-F344 HydrophobicContact CG2-CZ 3.85Å; D342-F344 PolarHBondContact O-N 3.3Å; D342-F344 VanDerWaalsContact O-N 3.07Å; D342-F344 PolarHBondContact OD1-N 3.08Å
345T87.5Confident89.7Confident80 Ų8072 Ų7249%0.49143%0.433SS..THydrogen-bonded Turntrans-117.1-15.9-176.659.70000113.8D342 V347D342-T345 VanDerWaalsContact CB-OG1 3.3Å; D342-T345 WeakPolarHBondContact CB-OG1 3.48Å; D342-T345 PolarHBondContact O-N 3.28Å; D342-T345 PolarHBondContact OD1-N 3.31Å; D342-T345 PolarHBondContact OD1-OG1 2.9Å; T345-V347 PolarHBondContact O-N 2.99Å
346G84.8Confident89.8Confident45 Ų4572.4 Ų72.446%0.46442%0.423SS..  trans68.39.9-17600000114.3D342 P348D342-G346 WeakPolarHBondContact O-CA 3.39Å; D342-G346 PolarHBondContact O-N 2.75Å; G346-P348 WeakPolarHBondContact O-CD 3.24Å
347V87.7Confident90Very high82 Ų8268.2 Ų68.250%0.49742%0.419SS..PPolyproline II helixtrans-78122.9-177.8177.50000109.5N341 D342 T345N341-V347 VanDerWaalsContact CA-O 3.31Å; N341-V347 WeakPolarHBondContact CA-O 3.5Å; N341-V347 WeakPolarHBondContact CB-O 3.14Å; D342-V347 PolarHBondContact N-O 2.69Å; T345-V347 PolarHBondContact O-N 2.99Å
348P90.3Very high90.2Very high62 Ų6266.3 Ų66.340%0.40339%0.392SS..BIsolated β-bridgetrans-58.8139.5176.2-2636.2000112.6P339 P340 G346P339-P348 HydrophobicContact CB-CB 4.48Å; P339-P348 HydrophobicContact CG-CB 3.92Å; P339-P348 HydrophobicContact CG-CG 4.01Å; P340-P348 WeakPolarHBondContact O-CA 3.39Å; G346-P348 WeakPolarHBondContact O-CD 3.24Å
349F90.9Very high90.3Very high41 Ų4165 Ų6518%0.1840%0.399CS..PPolyproline II helixtrans-69.4140.8175.2-61.7-48.1000111L315 P316 L326 P340 N341 D342 C353 A355L315-F349 HydrophobicContact CD2-CZ 4.12Å; P316-F349 HydrophobicContact CG-CD1 4.19Å; P316-F349 HydrophobicContact CG-CE1 4.1Å; L326-F349 HydrophobicContact CD1-CE2 4.36Å; L326-F349 HydrophobicContact CD1-CZ 4.29Å; P340-F349 HydrophobicContact CB-CD2 3.74Å; P340-F349 HydrophobicContact CB-CE2 4.46Å; P340-F349 PolarHBondContact O-N 2.84Å; N341-F349 VanDerWaalsContact C-CZ 3.42Å; N341-F349 WeakPolarHBondContact O-CE2 3.45Å; N341-F349 WeakPolarHBondContact O-CZ 3.4Å; D342-F349 HydrophobicContact CB-CE1 3.88Å; D342-F349 HydrophobicContact CB-CZ 4.29Å; F349-C353 CarbonylContact C-O 3.57Å; F349-C353 WeakPolarHBondContact CA-O 3.34Å; F349-C353 WeakPolarHBondContact CB-O 3.44Å; F349-C353 WeakPolarHBondContact CD1-O 3.33Å; F349-A355 HydrophobicContact CZ-CB 4.43Å
350T87.9Confident90.5Very high70 Ų7069 Ų6943%0.42941%0.412SS..BIsolated β-bridgetrans-133.9169.8177.466.40000109.5T352 C353T350-T352 PolarHBondContact O-N 2.7Å; T350-T352 PolarHBondContact OG1-OG1 3.03Å; T350-C353 PolarHBondContact N-O 3Å; T350-C353 CarbonylContact O-C 3.58Å; T350-C353 PolarHBondContact O-N 2.88Å; T350-C353 WeakPolarHBondContact OG1-CB 3.42Å; T350-C353 PolarHBondContact OG1-N 2.82Å
351S84.6Confident90.5Very high116 Ų11666.8 Ų66.881%0.81140%0.396SS*.THydrogen-bonded Turntrans-59.5-15.8179.8510000114.9
352T82.1Confident90.7Very high122 Ų12269 Ų6975%0.74841%0.406SS*.THydrogen-bonded Turntrans-105.5-15.6173.6560000113.5T350T350-T352 PolarHBondContact O-N 2.7Å; T350-T352 PolarHBondContact OG1-OG1 3.03Å
353C82.7Confident90.7Very high54 Ų5472.6 Ų72.637%0.36543%0.431SS..BIsolated β-bridgetrans-133.580.6-174.6-58.50000108.8P316 F349 T350P316-C353 HydrophobicContact CG-CB 4.3Å; F349-C353 CarbonylContact C-O 3.57Å; F349-C353 WeakPolarHBondContact CA-O 3.34Å; F349-C353 WeakPolarHBondContact CB-O 3.44Å; F349-C353 WeakPolarHBondContact CD1-O 3.33Å; T350-C353 PolarHBondContact N-O 3Å; T350-C353 CarbonylContact O-C 3.58Å; T350-C353 PolarHBondContact O-N 2.88Å; T350-C353 WeakPolarHBondContact OG1-CB 3.42Å; T350-C353 PolarHBondContact OG1-N 2.82Å
354Q90.7Very high90.8Very high104 Ų10476.7 Ų76.749%0.48644%0.443SS..  trans-130.3161.4-179.365.2179.534.300110.7L356Q354-L356 HydrophobicContact CG-CD2 3.99Å
355A93.4Very high91Very high18 Ų1872.7 Ų72.715%0.14943%0.425CS..  trans-67.2138.8170.300000111M313 L314 L315 L326 F349M313-A355 HydrophobicContact CB-CB 4.49Å; M313-A355 HydrophobicContact CE-CB 3.98Å; L314-A355 CarbonylContact O-C 3.46Å; L314-A355 WeakPolarHBondContact O-CA 3.48Å; L315-A355 HydrophobicContact CD2-CB 3.8Å; L326-A355 HydrophobicContact CD2-CB 3.53Å; F349-A355 HydrophobicContact CZ-CB 4.43Å
356L94.7Very high91.2Very high92 Ų9271.7 Ų71.748%0.48242%0.417SS..EExtended strand (participates in β ladder)trans-128.3143-179-62.7176.6000110.5M313 L314 Q354M313-L356 CarbonylContact C-O 3.52Å; M313-L356 WeakPolarHBondContact CA-O 3.17Å; L314-L356 PolarHBondContact N-O 3.19Å; L314-L356 PolarHBondContact O-N 3.33Å; Q354-L356 HydrophobicContact CG-CD2 3.99Å
357P95.9Very high91.5Very high94 Ų9475.4 Ų75.461%0.6142%0.422SS*.EExtended strand (participates in β ladder)trans-58140.6174.8-24.234.3000112.4M313 P359M313-P357 HydrophobicContact CE-CG 4.29Å; M313-P357 HydrophobicContact SD-CB 4.2Å; M313-P357 HydrophobicContact SD-CG 3.93Å; P357-P359 VanDerWaalsContact C-CD 3.46Å; P357-P359 WeakPolarHBondContact O-CD 3.43Å
358N95.9Very high91.7Very high32 Ų3272.7 Ų72.717%0.17140%0.403CS..  trans-106.678.9178.8-170-16.4000111.1P312 L314 S320 Q360 L361 K362P312-N358 HydrophobicContact CB-CB 4.27Å; P312-N358 HydrophobicContact CG-CB 4.38Å; P312-N358 WeakPolarHBondContact O-CB 3.26Å; P312-N358 PolarHBondContact O-N 2.88Å; L314-N358 HydrophobicContact CB-CB 4.18Å; S320-N358 PolarHBondContact OG-ND2 3.35Å; N358-Q360 VanDerWaalsContact C-N 3.27Å; N358-Q360 PolarHBondContact O-N 3.45Å; N358-L361 HydrophobicContact CB-CB 4.23Å; N358-L361 VanDerWaalsContact CG-CB 3.44Å; N358-L361 WeakPolarHBondContact ND2-CB 3.3Å; N358-L361 PolarHBondContact O-N 2.72Å; N358-L361 WeakPolarHBondContact OD1-CB 3.3Å; N358-L361 PolarHBondContact OD1-N 3.23Å; N358-L361 VanDerWaalsContact OD1-N 3.08Å; N358-K362 PolarHBondContact O-N 2.75Å
359P94.9Very high91.6Very high96 Ų9671.5 Ų71.562%0.62339%0.394SS*.Hα-helixtrans-65.6-29.3-175.327.3-36.1000113P357 K362 S363P357-P359 VanDerWaalsContact C-CD 3.46Å; P357-P359 WeakPolarHBondContact O-CD 3.43Å; P359-K362 PolarHBondContact O-N 2.97Å; P359-S363 WeakPolarHBondContact O-CB 3.45Å; P359-S363 PolarHBondContact O-N 2.72Å
360Q94.5Very high91.4Very high156 Ų15676.1 Ų76.173%0.72942%0.42SS*.Hα-helixtrans-68.1-40.3178.1-175.8172.8-11.500111.4N358 R364N358-Q360 VanDerWaalsContact C-N 3.27Å; N358-Q360 PolarHBondContact O-N 3.45Å; Q360-R364 WeakPolarHBondContact O-CG 3.31Å; Q360-R364 PolarHBondContact O-N 3.15Å
361L93.9Very high91.1Very high16 Ų1679.6 Ų79.68%0.08443%0.431CS..Hα-helixtrans-70.5-44173.7-170.856.1000111.4E299 F300 M309 P312 N358 S363 R364 I365E299-L361 WeakPolarHBondContact O-CD1 3.16Å; F300-L361 HydrophobicContact CD1-CD1 3.99Å; F300-L361 HydrophobicContact CE1-CD1 4.2Å; M309-L361 HydrophobicContact CE-CD2 3.72Å; P312-L361 HydrophobicContact CB-CD2 4.07Å; P312-L361 HydrophobicContact CB-CG 4.43Å; P312-L361 HydrophobicContact CG-CB 4.27Å; P312-L361 HydrophobicContact CG-CG 4.43Å; N358-L361 HydrophobicContact CB-CB 4.23Å; N358-L361 VanDerWaalsContact CG-CB 3.44Å; N358-L361 WeakPolarHBondContact ND2-CB 3.3Å; N358-L361 PolarHBondContact O-N 2.72Å; N358-L361 WeakPolarHBondContact OD1-CB 3.3Å; N358-L361 PolarHBondContact OD1-N 3.23Å; N358-L361 VanDerWaalsContact OD1-N 3.08Å; L361-S363 VanDerWaalsContact C-N 3.3Å; L361-S363 PolarHBondContact O-N 2.74Å; L361-R364 PolarHBondContact O-N 2.74Å; L361-I365 HydrophobicContact CG-CD1 4.09Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 2.88Å
362K95.3Very high90.7Very high57 Ų5775.9 Ų75.925%0.24840%0.403CS..Hα-helixtrans-54.2-44.4175-178.555.416572.40112.2A310 P312 N358 P359 R364 I365 D366A310-K362 WeakPolarHBondContact O-CD 3.36Å; A310-K362 WeakPolarHBondContact O-CE 3.47Å; P312-K362 HydrophobicContact CG-CB 3.88Å; N358-K362 PolarHBondContact O-N 2.75Å; P359-K362 PolarHBondContact O-N 2.97Å; K362-R364 VanDerWaalsContact C-N 3.28Å; K362-R364 PolarHBondContact O-N 2.8Å; K362-I365 PolarHBondContact O-N 2.66Å; K362-D366 IonicContact NZ-OD1 2.67Å; K362-D366 PolarHBondContact NZ-OD1 2.92Å; K362-D366 IonicContact NZ-OD2 2.74Å; K362-D366 PolarHBondContact NZ-OD2 3.02Å; K362-D366 WeakPolarHBondContact O-CB 3.32Å; K362-D366 VanDerWaalsContact O-CG 3.29Å; K362-D366 PolarHBondContact O-N 2.84Å
363S95Very high90.1Very high76 Ų7672.8 Ų72.853%0.53140%0.396SS..Hα-helixtrans-63.4-30.4177.5-174.70000113.7P359 L361 H367P359-S363 WeakPolarHBondContact O-CB 3.45Å; P359-S363 PolarHBondContact O-N 2.72Å; L361-S363 VanDerWaalsContact C-N 3.3Å; L361-S363 PolarHBondContact O-N 2.74Å; S363-H367 WeakPolarHBondContact O-CB 3.42Å; S363-H367 PolarHBondContact O-N 3.14Å
364R94.2Very high89.1Confident113 Ų11374.9 Ų74.943%0.42640%0.401SS..Hα-helixtrans-77-40.7176.4-65.7170.573.5-143.6-1.5111E299 F300 Q360 L361 K362 H367 F368E299-R364 IonicContact OE1-CZ 3.23Å; E299-R364 IonicContact OE1-NH1 3.3Å; E299-R364 IonicContact OE1-NH2 3.61Å; E299-R364 PolarHBondContact OE1-NH2 2.81Å; E299-R364 IonicContact OE2-CZ 2.67Å; E299-R364 IonicContact OE2-NH1 3.39Å; E299-R364 PolarHBondContact OE2-NH1 3.29Å; E299-R364 IonicContact OE2-NH2 2.69Å; E299-R364 PolarHBondContact OE2-NH2 2.85Å; F300-R364 HydrophobicContact CE1-CB 3.67Å; F300-R364 HydrophobicContact CZ-CB 3.94Å; Q360-R364 WeakPolarHBondContact O-CG 3.31Å; Q360-R364 PolarHBondContact O-N 3.15Å; L361-R364 PolarHBondContact O-N 2.74Å; K362-R364 VanDerWaalsContact C-N 3.28Å; K362-R364 PolarHBondContact O-N 2.8Å; R364-H367 PolarHBondContact O-N 3.47Å; R364-F368 WeakPolarHBondContact O-CB 3.37Å; R364-F368 PolarHBondContact O-N 2.96Å
365I93.8Very high87.5Confident1 Ų174.5 Ų74.51%0.00541%0.406CS..Hα-helixtrans-59.8-48.6172.2-65.5172.2000110.5F300 V308 M309 P312 L361 K362 H367 F368 L369F300-I365 HydrophobicContact CB-CD1 4.32Å; F300-I365 HydrophobicContact CB-CG1 3.8Å; F300-I365 HydrophobicContact CD1-CD1 4.41Å; F300-I365 HydrophobicContact CD1-CG1 3.5Å; F300-I365 HydrophobicContact CD2-CG1 4.49Å; F300-I365 HydrophobicContact CE1-CG1 4.24Å; F300-I365 HydrophobicContact CG-CG1 3.67Å; V308-I365 HydrophobicContact CG1-CG2 3.55Å; M309-I365 HydrophobicContact CB-CD1 3.97Å; M309-I365 HydrophobicContact CE-CD1 4.46Å; P312-I365 HydrophobicContact CG-CD1 4.27Å; L361-I365 HydrophobicContact CG-CD1 4.09Å; L361-I365 WeakPolarHBondContact O-CG1 3.4Å; L361-I365 PolarHBondContact O-N 2.88Å; K362-I365 PolarHBondContact O-N 2.66Å; I365-H367 PolarHBondContact O-N 2.82Å; I365-F368 WeakPolarHBondContact O-CB 3.44Å; I365-F368 PolarHBondContact O-N 2.76Å; I365-F368 VanDerWaalsContact O-N 3.16Å; I365-L369 HydrophobicContact CG2-CD1 3.79Å; I365-L369 HydrophobicContact CG2-CG 4.19Å; I365-L369 WeakPolarHBondContact O-CG 3.35Å; I365-L369 PolarHBondContact O-N 2.82Å
366D92.7Very high85.4Confident59 Ų5981.6 Ų81.632%0.31643%0.429SS..Hα-helixtrans-60.5-46.8179.3-73.4-28.6000112.1K362 F368 L369 L370K362-D366 IonicContact NZ-OD1 2.67Å; K362-D366 PolarHBondContact NZ-OD1 2.92Å; K362-D366 IonicContact NZ-OD2 2.74Å; K362-D366 PolarHBondContact NZ-OD2 3.02Å; K362-D366 WeakPolarHBondContact O-CB 3.32Å; K362-D366 VanDerWaalsContact O-CG 3.29Å; K362-D366 PolarHBondContact O-N 2.84Å; D366-F368 VanDerWaalsContact C-N 3.3Å; D366-F368 PolarHBondContact O-N 2.82Å; D366-L369 PolarHBondContact O-N 2.81Å; D366-L370 WeakPolarHBondContact O-CB 3.5Å; D366-L370 VanDerWaalsContact O-CG 3.25Å; D366-L370 WeakPolarHBondContact O-CG 3.42Å; D366-L370 PolarHBondContact O-N 2.78Å
367H91.3Very high83.3Confident122 Ų12288.6 Ų88.657%0.56545%0.449SS*.Hα-helixtrans-58.5-43.8174.9-174.4-75.2000111.4S363 R364 I365 Q371S363-H367 WeakPolarHBondContact O-CB 3.42Å; S363-H367 PolarHBondContact O-N 3.14Å; R364-H367 PolarHBondContact O-N 3.47Å; I365-H367 PolarHBondContact O-N 2.82Å; H367-Q371 PolarHBondContact CE1-OE1 3.07Å; H367-Q371 PolarHBondContact ND1-OE1 3.48Å; H367-Q371 WeakPolarHBondContact O-CB 3.38Å; H367-Q371 PolarHBondContact O-N 2.86Å
368F90Very high81Confident25 Ų2591.3 Ų91.311%0.1146%0.458CS..Hα-helixtrans-64.8-43.9177.8176.8-92.5000112.8I296 P297 F300 R364 I365 D366 Q371 T372I296-F368 HydrophobicContact CB-CE1 4.21Å; I296-F368 HydrophobicContact CB-CZ 4.11Å; I296-F368 HydrophobicContact CG1-CE1 3.93Å; I296-F368 HydrophobicContact CG1-CZ 3.94Å; I296-F368 HydrophobicContact CG2-CE1 3.83Å; I296-F368 HydrophobicContact CG2-CZ 4.13Å; P297-F368 HydrophobicContact CG-CE2 4.48Å; F300-F368 HydrophobicContact CD2-CB 3.99Å; F300-F368 AromaticContact CD2-CD1 3.93Å; F300-F368 HydrophobicContact CD2-CD1 3.93Å; F300-F368 HydrophobicContact CD2-CD2 4.27Å; F300-F368 AromaticContact CD2-CG 3.79Å; F300-F368 HydrophobicContact CD2-CG 3.79Å; F300-F368 HydrophobicContact CE2-CB 3.46Å; F300-F368 VanDerWaalsContact CE2-CB 3.46Å; F300-F368 HydrophobicContact CE2-CD1 4.15Å; F300-F368 AromaticContact CE2-CD2 3.78Å; F300-F368 HydrophobicContact CE2-CD2 3.78Å; F300-F368 AromaticContact CE2-CG 3.52Å; F300-F368 HydrophobicContact CE2-CG 3.52Å; F300-F368 HydrophobicContact CZ-CB 4.28Å; R364-F368 WeakPolarHBondContact O-CB 3.37Å; R364-F368 PolarHBondContact O-N 2.96Å; I365-F368 WeakPolarHBondContact O-CB 3.44Å; I365-F368 PolarHBondContact O-N 2.76Å; I365-F368 VanDerWaalsContact O-N 3.16Å; D366-F368 VanDerWaalsContact C-N 3.3Å; D366-F368 PolarHBondContact O-N 2.82Å; F368-Q371 PolarHBondContact O-N 2.96Å; F368-T372 HydrophobicContact CD1-CG2 4.4Å; F368-T372 HydrophobicContact CD2-CG2 4.03Å; F368-T372 HydrophobicContact CE1-CG2 4.02Å; F368-T372 HydrophobicContact CE2-CG2 3.62Å; F368-T372 HydrophobicContact CG-CG2 4.4Å; F368-T372 HydrophobicContact CZ-CG2 3.61Å; F368-T372 WeakPolarHBondContact O-CB 3.36Å; F368-T372 WeakPolarHBondContact O-CG2 3.38Å; F368-T372 PolarHBondContact O-N 3.04Å; F368-T372 PolarHBondContact O-OG1 2.73Å
369L88.5Confident78.4Confident38 Ų3892.8 Ų92.820%0.19948%0.481CS..Hα-helixtrans-65.3-39.8178.2-70.5175.6000112V308 I365 D366 G373 M374V308-L369 HydrophobicContact CG1-CD1 4.37Å; V308-L369 HydrophobicContact CG1-CD2 4.37Å; I365-L369 HydrophobicContact CG2-CD1 3.79Å; I365-L369 HydrophobicContact CG2-CG 4.19Å; I365-L369 WeakPolarHBondContact O-CG 3.35Å; I365-L369 PolarHBondContact O-N 2.82Å; D366-L369 PolarHBondContact O-N 2.81Å; L369-G373 WeakPolarHBondContact O-CA 3.37Å; L369-G373 PolarHBondContact O-N 3Å; L369-M374 HydrophobicContact CD2-CB 4.04Å; L369-M374 PolarHBondContact O-N 3.4Å
370L87.2Confident76Confident138 Ų13895.1 Ų95.172%0.72349%0.494SS*.Hα-helixtrans-66.2-42.7173.4-69.9169.7000111.8D366D366-L370 WeakPolarHBondContact O-CB 3.5Å; D366-L370 VanDerWaalsContact O-CG 3.25Å; D366-L370 WeakPolarHBondContact O-CG 3.42Å; D366-L370 PolarHBondContact O-N 2.78Å
371Q82.4Confident73.5Confident142 Ų14296.1 Ų96.166%0.66450%0.503SS*.Hα-helixtrans-71.6-35.2-178.5-176177.33.800113.3H367 F368H367-Q371 PolarHBondContact CE1-OE1 3.07Å; H367-Q371 PolarHBondContact ND1-OE1 3.48Å; H367-Q371 WeakPolarHBondContact O-CB 3.38Å; H367-Q371 PolarHBondContact O-N 2.86Å; F368-Q371 PolarHBondContact O-N 2.96Å
372T75.3Confident70.7Confident38 Ų3898.8 Ų98.823%0.23353%0.534CS..Hα-helixtrans-89.9-11.1178.956.60000113.6F294 F368 M374F294-T372 HydrophobicContact CB-CG2 4.45Å; F368-T372 HydrophobicContact CD1-CG2 4.4Å; F368-T372 HydrophobicContact CD2-CG2 4.03Å; F368-T372 HydrophobicContact CE1-CG2 4.02Å; F368-T372 HydrophobicContact CE2-CG2 3.62Å; F368-T372 HydrophobicContact CG-CG2 4.4Å; F368-T372 HydrophobicContact CZ-CG2 3.61Å; F368-T372 WeakPolarHBondContact O-CB 3.36Å; F368-T372 WeakPolarHBondContact O-CG2 3.38Å; F368-T372 PolarHBondContact O-N 3.04Å; F368-T372 PolarHBondContact O-OG1 2.73Å; T372-M374 PolarHBondContact O-N 2.92Å; T372-M374 WeakPolarHBondContact OG1-CG 3.49Å
373G69.9Low68Low58 Ų5899.8 Ų99.860%0.59856%0.561SS**THydrogen-bonded Turntrans69.511.7-174.300000114.1L369 V375L369-G373 WeakPolarHBondContact O-CA 3.37Å; L369-G373 PolarHBondContact O-N 3Å; G373-V375 PolarHBondContact O-N 3.44Å
374M62Low65.2Low97 Ų97106 Ų10648%0.47858%0.582SS.*  trans-78.433.2-176-67-169.370.100113.9I296 L369 T372 R376I296-M374 HydrophobicContact CD1-CE 3.96Å; I296-M374 HydrophobicContact CD1-SD 4.27Å; I296-M374 HydrophobicContact CG1-SD 4.4Å; L369-M374 HydrophobicContact CD2-CB 4.04Å; L369-M374 PolarHBondContact O-N 3.4Å; T372-M374 PolarHBondContact O-N 2.92Å; T372-M374 WeakPolarHBondContact OG1-CG 3.49Å; M374-R376 PolarHBondContact O-N 2.95Å
375V56.8Low62.4Low96 Ų96107.9 Ų107.958%0.58260%0.6SS**  trans-67.1102.9171.7-1780000108.5G373 R377G373-V375 PolarHBondContact O-N 3.44Å; V375-R377 PolarHBondContact O-N 3Å
376R49.8Very low59.9Low167 Ų167116.5 Ų116.563%0.6364%0.64SS**  trans-53.6125.5168.9-75.7-172.6175.1-178.1-2.4108.1E307 M374 D378E307-R376 VanDerWaalsContact CD-NH1 3.3Å; E307-R376 IonicContact OE1-CZ 3.32Å; E307-R376 IonicContact OE1-NH1 3.05Å; E307-R376 PolarHBondContact OE1-NH1 2.89Å; E307-R376 IonicContact OE1-NH2 2.67Å; E307-R376 PolarHBondContact OE1-NH2 2.84Å; E307-R376 IonicContact OE2-CZ 3.8Å; E307-R376 IonicContact OE2-NH1 2.89Å; E307-R376 PolarHBondContact OE2-NH1 3.18Å; E307-R376 IonicContact OE2-NH2 3.82Å; M374-R376 PolarHBondContact O-N 2.95Å; R376-D378 PolarHBondContact O-N 2.84Å
377R50.8Low57.6Low240 Ų240117 Ų11791%0.90666%0.659SS**SBendtrans-76.8-13.2176.9-76.5-164.8177.691.61.5113.2V375 G379V375-R377 PolarHBondContact O-N 3Å; R377-G379 PolarHBondContact O-N 3.44Å
378D47Very low55.2Low151 Ų151120.2 Ų120.281%0.80768%0.675SS**  trans-83.964.6-174.8-53.1-50.2000111.1R376R376-D378 PolarHBondContact O-N 2.84Å
379G42.2Very low52.9Low63 Ų63125.9 Ų125.965%0.64971%0.706SS**  trans-109.279.5176.600000111.7R377 L381R377-G379 PolarHBondContact O-N 3.44Å; G379-L381 PolarHBondContact O-N 2.63Å
380T43.7Very low50.7Low144 Ų144129.6 Ų129.688%0.88373%0.733SS**  trans-75.963.217451.50000111.9
381L41.2Very low48.3Very low178 Ų178130.5 Ų130.593%0.93273%0.733SS**  trans-132.470.5170.5-72.5179.1000109.7G379G379-L381 PolarHBondContact O-N 2.63Å
382G36Very low46.4Very low71 Ų71128.2 Ų128.273%0.73274%0.739SS**SBendtrans-156.4135.6173.500000109.2
383G37.9Very low44.6Very low79 Ų79131.3 Ų131.381%0.81476%0.762SS**  trans-64.3149.6178.900000112D385G383-D385 PolarHBondContact O-N 3.2Å
384Q35.7Very low43.1Very low206 Ų206139 Ų13996%0.96377%0.773SS**  trans-71.794173.8-175.9-177.321.300109.8
385D35.5Very low41.8Very low153 Ų153143.1 Ų143.182%0.81880%0.796SS**  trans-125.6150.2167.9-158.9-1.1000110.7G383 G387G383-D385 PolarHBondContact O-N 3.2Å; D385-G387 PolarHBondContact O-N 3.44Å
386Q42.4Very low40.7Very low181 Ų181145.6 Ų145.685%0.84680%0.804SS**  trans-87.1112.8-168.9-67.8-168.812.800112.6
387G44.6Very low39.9Very low69 Ų69143.4 Ų143.471%0.71181%0.809SS**  trans57.280.1142.900000117.2D385D385-G387 PolarHBondContact O-N 3.44Å
388Q40.1Very low38.8Very low191 Ų191137.9 Ų137.989%0.89381%0.807SS**  trans-146.6143.1145.9-114.7153.4107.800112
389N41.7Very low38.2Very low143 Ų143135.9 Ų135.977%0.76581%0.805SS**  trans-82.7118.5-172.9-176.19.9000110.2Q391N389-Q391 PolarHBondContact O-N 2.97Å
390P43.5Very low37.6Very low117 Ų117139.6 Ų139.676%0.7682%0.815SS**  trans-71.198.1-176.928.1-34.1000111.7A392P390-A392 PolarHBondContact O-N 3.1Å
391Q36Very low37Very low156 Ų156141.1 Ų141.173%0.72982%0.817SS**  trans-58.2132.2169.8-86.9-75.2-11.300111.4N389 S393N389-Q391 PolarHBondContact O-N 2.97Å; Q391-S393 VanDerWaalsContact C-N 3.3Å; Q391-S393 PolarHBondContact O-N 2.82Å; Q391-S393 PolarHBondContact O-OG 2.88Å
392A42Very low36.4Very low95 Ų95136.3 Ų136.379%0.78581%0.81SS**  trans-71.580.9177.600000111.6P390 R394P390-A392 PolarHBondContact O-N 3.1Å; A392-R394 PolarHBondContact O-N 3.33Å
393S37.9Very low36.1Very low102 Ų102144.4 Ų144.471%0.71382%0.819SS**  trans-95.384.8-173.9-65.90000112.8Q391Q391-S393 VanDerWaalsContact C-N 3.3Å; Q391-S393 PolarHBondContact O-N 2.82Å; Q391-S393 PolarHBondContact O-OG 2.88Å
394R37.6Very low35.6Very low220 Ų220145.2 Ų145.283%0.8381%0.812SS**  trans31.2118.6133.7-57.2179.8-176.9-156.6-1.7118A392 I396A392-R394 PolarHBondContact O-N 3.33Å; R394-I396 PolarHBondContact O-N 3Å
395L35.4Very low35.5Very low184 Ų184143 Ų14396%0.96380%0.802SS**  trans-46.9122.7147.6-71.5162.1000110.4
396I33.9Very low35.1Very low148 Ų148142 Ų14276%0.75980%0.801SS**  trans-131.2132.7153.3-68.9-172.1000108R394R394-I396 PolarHBondContact O-N 3Å
397T31.9Very low34.3Very low120 Ų120138.7 Ų138.774%0.73680%0.798SS**  trans-62149177.644.50000112.2S399T397-S399 PolarHBondContact O-N 3.07Å
398S29Very low34.1Very low124 Ų124140.9 Ų140.987%0.86780%0.799SS**  trans-63.5124.3162.143.20000109.9
399S34.1Very low33.4Very low109 Ų109136.1 Ų136.176%0.76279%0.787SS**  trans-140.2129.1159.859.40000109T397T397-S399 PolarHBondContact O-N 3.07Å
400V30.5Very low32.7Very low141 Ų141138.9 Ų138.986%0.85579%0.793SS**  trans-101.4118.7176.9171.80000107.8
401L29.3Very low31.9Very low177 Ų177139 Ų13993%0.92779%0.792SS**  trans64.7105.4157.9-160.271.6000117.3
402G29.5Very low31.5Very low76 Ų76141.1 Ų141.178%0.78480%0.799SS**  trans-141.2-18.4-170.900000121.3
403R29.3Very low30.6Very low241 Ų241142.5 Ų142.591%0.90980%0.797SS**  trans66.7138.3169.2-160.2-175.8-173.8-177.93.5119.5
404S28.6Very low30Very low96 Ų96142.1 Ų142.167%0.67179%0.794SS**  trans74.9110.5154.6-86.60000123.4
405Q31.9Very low29.6Very low161 Ų161138.4 Ų138.475%0.75279%0.79SS**  72.5139.2119.3-66.7-71.115.900123.6
406T27.7Very low29.2Very low130 Ų130136.2 Ų136.280%0.79878%0.779SS**  trans70.3125.8154.744.90000122.1
407S25.9Very low28.9Very low113 Ų113133.4 Ų133.479%0.7977%0.772SS**  trans-68.1-179.5164.3-29.50000112.2
408P39.9Very low28.7Very low114 Ų114135.1 Ų135.174%0.7478%0.777SS**  cis-141.2178.214.943-23.3000118.9
409S25.6Very low28.6Very low91 Ų91133.5 Ų133.564%0.63677%0.766SS**  trans-17.7147.2157.5-42.40000118.9
410F27.1Very low28.4Very low202 Ų202133.1 Ų133.189%0.88676%0.759SS**  -170.8166.793.8-102.5-68.9000114
411T26.2Very low28.3Very low120 Ų120134.8 Ų134.874%0.73676%0.757SS**  trans-81.1145.9179.753.10000113.2
412K28.1Very low28.1Very low200 Ų200130.1 Ų130.187%0.8774%0.739SS**  -170.9147.8116.8-109.3170-177.3176.80115.5
413T23.3Very low27.9Very low124 Ų124132 Ų13276%0.76174%0.735SS**  trans-60.1151159.8-19.50000111.7
414S26Very low27.8Very low93 Ų93127 Ų12765%0.6573%0.727SS**  147.4125.8118.2-78.40000117.1
415I29.2Very low27.9Very low143 Ų143130.8 Ų130.873%0.73373%0.734SS**  75.6143.9126.3-62.8170.2000120.5
416N27.1Very low27.8Very low138 Ų138130.9 Ų130.974%0.73874%0.74SS**  trans72126.9169.3-75.7-8.3000118.1
417S27Very low28Very low88 Ų88130.1 Ų130.162%0.61574%0.735SS**  cis99.8135.623.1-65.70000113
418N27Very low28.2Very low157 Ų157130.7 Ų130.784%0.8473%0.729SS**  trans71145.4160.8-60.8-4.1000115.9
419S28.1Very low28Very low90 Ų90130.7 Ų130.763%0.62973%0.728SS**  cis-169.1158.7-12.6174.70000110.4
420T28.2Very low28.5Very low101 Ų101130 Ų13062%0.6272%0.723SS**  trans56.3129.614839.70000122.3
421H28.3Very low29Very low175 Ų175128.3 Ų128.381%0.8172%0.717SS**  trans64.2154.6143-64-54.4000118.9
422S25.8Very low29.2Very low80 Ų80127.8 Ų127.856%0.55971%0.714SS**  cis-174.9155.3-26.554.50000107.8
423T25.8Very low29.5Very low114 Ų114123.3 Ų123.370%0.69971%0.708SS**  trans59.3157.1161.256.70000116.7
424D27.1Very low29.9Very low136 Ų136121.4 Ų121.473%0.72771%0.705SS**  cis-156.4169.4-27.4-100.8-24.1000108
425E29.8Very low30.1Very low176 Ų176124.7 Ų124.782%0.82271%0.71SS**  trans41.7130.9157.1-65.7-175.3139.300121.4
426N30.3Very low30.1Very low163 Ų163123.3 Ų123.387%0.87271%0.708SS**  -155.4159118.3-108.7-78.8000111.6
427T32.6Very low30.1Very low115 Ų115121 Ų12171%0.70671%0.708SS**  trans-68.7171.9179.926.60000113.4
428D29.4Very low30.2Very low125 Ų125122.6 Ų122.667%0.66871%0.714SS**  cis-154174.223.3-138.3-48.9000114.7
429T36.3Very low30.3Very low114 Ų114121.5 Ų121.570%0.69971%0.708SS**  trans-3.5154.9157.334.40000121.4
430S36.2Very low30.4Very low76 Ų76123.7 Ų123.753%0.53171%0.712SS.*  cis-165.1146.826.3-120.10000113.9
431Q37.7Very low30.4Very low166 Ų166126.6 Ų126.678%0.77672%0.719SS**  trans60.6150.2136.5-62.6176.262.400120.2
432T31Very low30.4Very low110 Ų110123.4 Ų123.468%0.67572%0.717SS**  cis-154.5152.45.3-12.10000111.5
433S32.7Very low30.6Very low105 Ų105123 Ų12373%0.73472%0.724SS**  trans45.4143.814069.60000121
434A32.4Very low31.4Very low84 Ų84123.5 Ų123.569%0.69473%0.73SS**  cis150.4164.216.800000106.1
435H30.9Very low31.4Very low163 Ų163122 Ų12276%0.75573%0.73SS**  cis-158.8153.3-20.2-123.6-83000110.2
436T27.9Very low31.4Very low113 Ų113118.1 Ų118.169%0.69372%0.722SS**  trans10.5122.8147.749.30000120.2
437A28.2Very low31.4Very low89 Ų89116.5 Ų116.574%0.73671%0.714SS**  103174.885.400000111.6
438V29.4Very low31.2Very low123 Ų123118 Ų11875%0.74572%0.717SS**  cis-149.3157.113-126.70000111.1
439D28.8Very low31.2Very low133 Ų133122.8 Ų122.871%0.71173%0.726SS**  trans40.6135.7141.4-58.1-7.3000125.4
440N29.9Very low31Very low136 Ų136122.5 Ų122.573%0.72772%0.724SS**  trans88.4132.4133.4-74.9-10.5000125.2
441E27.3Very low30.8Very low163 Ų163125.2 Ų125.276%0.76273%0.733SS**  trans66.5130.8141.4-70.6-165.493.300124.2
442S29.4Very low30.4Very low108 Ų108125 Ų12576%0.75574%0.735SS**  trans69.2136.6139.6-650000121.2
443G28.7Very low30.4Very low70 Ų70124 Ų12472%0.72273%0.732SS**  trans-79.3-169.2157.100000111.7
444P44.1Very low30.1Very low125 Ų125126.1 Ų126.181%0.81274%0.736SS**  cis-147.6-173.228.542.7-22.4000116.9
445S27.1Very low30Very low105 Ų105129.9 Ų129.973%0.73474%0.743SS**  trans75.8124.3139.6-146.70000123
446S30.1Very low30Very low94 Ų94131.7 Ų131.766%0.65775%0.748SS**  102.3132.6129.179.60000123.6
447N30.3Very low31.3Very low130 Ų130131.3 Ų131.370%0.69575%0.748SS**  trans79.3101.3137.9-64-15.3000124.1
448N28.1Very low31.2Very low145 Ų145134.7 Ų134.778%0.77575%0.753SS**  53.3117.1115.9-53-16.9000122.2
449R28Very low31.1Very low226 Ų226133.3 Ų133.385%0.85375%0.748SS**  -175.4125.1101.7-135.8165.7175.4152.9-1.1109.3
450T32.5Very low31Very low108 Ų108133.6 Ų133.666%0.66376%0.755SS**  43.8136.177.5330000115.7
451D31.5Very low31.1Very low134 Ų134134.5 Ų134.572%0.71776%0.76SS**  cis-132160.412.3-71.7-71000111.8
452I30.8Very low31.1Very low161 Ų161132.8 Ų132.883%0.82677%0.766SS**  172.6150.889.6-87.7168.6000106.6
453S30.5Very low31.3Very low88 Ų88137.2 Ų137.262%0.61577%0.772SS**  cis-166.9-178.6-28.172.40000109.1
454N26.7Very low31.4Very low150 Ų150139.9 Ų139.980%0.80278%0.779SS**  trans24.6134.1153-58.5-19.6000120.9
455I30.2Very low30.7Very low164 Ų164142.5 Ų142.584%0.84178%0.78SS**  cis-141.9160.840.2-71.2173.9000111.9
456K31Very low30.8Very low200 Ų200143.8 Ų143.887%0.8778%0.776SS**  trans-121.7176.8176.2-114.8-147.1159.3178.70112.2
457P54.2Low30.9Very low106 Ų106145.4 Ų145.469%0.68878%0.778SS**  trans-121.2175.8-141.544.8-34.6000116.6
458L25.7Very low31Very low160 Ų160149 Ų14984%0.83878%0.781SS**  trans-155.1130.9157.8-130.456.5000107.2
459S28.6Very low31.2Very low93 Ų93154 Ų15465%0.6579%0.79SS**  74.2124.158.3148.90000114.9
460T27.1Very low31.3Very low140 Ų140152.1 Ų152.186%0.85979%0.788SS**  trans179.1152.3133.721.70000112.4
461D31.5Very low31.3Very low154 Ų154156 Ų15682%0.82480%0.795SS**  trans-79.6166.1176.1-55.9-94.3000114.2
462S27.4Very low31.2Very low127 Ų127160.9 Ų160.989%0.88880%0.804SS**  trans-162.1150.8135.7-88.90000114.5
463K33.9Very low31.4Very low202 Ų202160.5 Ų160.588%0.87880%0.803SS**  trans-95.9163.9178.6-56170.6-179.8175.70111.5
464S29.8Very low31.8Very low125 Ų125162.4 Ų162.487%0.87481%0.813SS**  trans-158.6159.9143.252.80000111.6
465E29.8Very low32Very low180 Ų180160.3 Ų160.384%0.84181%0.811SS**  trans-129154.6-171.3-75.6-174.78600113.8
466M30.2Very low32Very low132 Ų132160.4 Ų160.465%0.6581%0.807SS**  trans60.2122.4143.1-176.8170.458.900120.5
467N31Very low31.9Very low128 Ų128158.2 Ų158.268%0.68480%0.804SS**  -167.3116.1110.1-108-72.7000117.7
468R33.3Very low30.7Very low205 Ų205158.1 Ų158.177%0.77481%0.806SS**  trans23.7123.4135.7-61.7174.6171165.8-4.2121.1
469R31.3Very low31Very low251 Ų251156.8 Ų156.895%0.94780%0.804SS**  178.7161.7126.5-96.2158.9-168.8-155.25.5110.5
470K31.1Very low31Very low187 Ų187160.6 Ų160.681%0.81381%0.812SS**  -171.6113.7-55.8172172.7179.6178.60109.9
471K32.7Very low31Very low190 Ų190158.9 Ų158.983%0.82681%0.812SS**  trans68.9125.2157.7-147.3-170.8-165.5-165.70119.2
472R29.3Very low31Very low236 Ų236155.4 Ų155.489%0.89180%0.804SS**  173.7129.7117.7-93.9177.7-158.8-156.75.1112.7
473D34.7Very low31.3Very low152 Ų152155.6 Ų155.681%0.81380%0.8SS**  trans-89.1163.7144.7-69.2-73.9000109.2
474P39.4Very low31.7Very low128 Ų128151.9 Ų151.983%0.83180%0.796SS**  -141.8175.510140.1-26.9000115.2
475S31Very low31.4Very low106 Ų106149.1 Ų149.174%0.74179%0.788SS**  trans-109175.4-173.250.20000114.6
476E28.8Very low31.5Very low166 Ų166150.3 Ų150.378%0.77679%0.791SS**  trans131.7138.7140.1-68.3-162.7139.300119
477I29.6Very low31.3Very low154 Ų154152.9 Ų152.979%0.7980%0.801SS**  trans60.9134.7144.8-73.9166.8000120.4
478S29.3Very low31.1Very low105 Ų105153.4 Ų153.473%0.73480%0.803SS**  cis-148.4-123.2-22.3-1680000109.9
479V30.3Very low31.1Very low132 Ų132149.8 Ų149.880%0.881%0.806SS**  cis-143.51785.6-178.20000108.5
480E30Very low30.8Very low173 Ų173142.2 Ų142.281%0.80879%0.791SS**  trans-91.8165.2-164.7-50.8172.6103.500118.6
481A26.7Very low30.7Very low104 Ų104142.8 Ų142.886%0.8680%0.797SS**  -151.4141.1123.700000110.8
482A32.6Very low30.5Very low81 Ų81138.4 Ų138.467%0.66979%0.79SS**  trans-119.4-172.8-176.300000111.8
483T32.6Very low31Very low131 Ų131136.6 Ų136.680%0.80479%0.789SS**  cis-166.3-161.719.9-13.80000107
484P42.1Very low30.7Very low123 Ų123139.4 Ų139.480%0.79979%0.794SS**  cis-116.6-179.8-46.538.4-23.8000111.6
485G24.6Very low30.5Very low68 Ų68140.5 Ų140.570%0.70179%0.791SS**  cis141.1140.9-4.900000112.8
486K30.2Very low30.5Very low205 Ų205146.7 Ų146.789%0.89180%0.798SS**  trans-164.9117.8157.2-117.6171.9-174.7179.30115.4
487Q26.1Very low30.6Very low185 Ų185145 Ų14586%0.86479%0.794SS**  trans15.8136.5159.5-75.6163.7-48.500124.4
488L26.9Very low30.7Very low139 Ų139145 Ų14573%0.72880%0.796SS**  trans-80.1176.1162.5-143.179.5000110.8S490L488-S490 WeakPolarHBondContact CD2-OG 3.34Å
489P34.2Very low31Very low129 Ų129145.2 Ų145.284%0.83880%0.798SS**  -140.2159.574.637.3-20.8000116
490S25Very low31Very low92 Ų92142.7 Ų142.764%0.64380%0.798SS**  trans-112.5143.9172.3520000111L488L488-S490 WeakPolarHBondContact CD2-OG 3.34Å
491E27.9Very low31.3Very low200 Ų200142.2 Ų142.294%0.93580%0.8SS**  trans-97.3163.4164.4-67.9-155.6140.600111.3
492S29.5Very low31.4Very low97 Ų97145.3 Ų145.368%0.67880%0.797SS**  trans-149.5155.1-171.7750000114.6
493K38.7Very low31.6Very low199 Ų199149.6 Ų149.687%0.86581%0.808SS**  trans67.6113.4163.7-56.5168.5-175.21730117.6
494K29Very low31.9Very low211 Ų211148.6 Ų148.692%0.91781%0.806SS**  -147.8123.2122-145.7163.4-171168.90112.1
495I35.2Very low32Very low150 Ų150148.2 Ų148.277%0.76981%0.806SS**  trans-92.4138.5168.4-66.3169.1000107.5
496R30.7Very low33.4Very low237 Ų237147.9 Ų147.989%0.89479%0.793SS**  trans-148.7114.1166.4-173.4179.2-175.2177.21.8109.6
497N31Very low35.4Very low129 Ų129140.7 Ų140.769%0.6977%0.769SS**  trans-101.3168.7173.4-70.17.3000110.9
498N33Very low37.6Very low156 Ų156138.7 Ų138.783%0.83476%0.759SS**  trans104.3132.7177.3-60.10.6000114.2
499S35.5Very low40.3Very low109 Ų109138.9 Ų138.976%0.76276%0.756SS**  cis-175.4131.3-1344.40000111.3
500G30.1Very low42.4Very low78 Ų78138.6 Ų138.680%0.80474%0.744SS**  trans76.7143.8175.900000113.6
501L36.3Very low45.2Very low164 Ų164139 Ų13986%0.85974%0.738SS**  cis-145.1170.820.8-85.7160.3000111.4
502E28.2Very low47.6Very low169 Ų169133.7 Ų133.779%0.7972%0.716SS**  trans54.9119.9167.3-63.6-5693.300119.3
503L36.2Very low49.9Very low171 Ų171131.8 Ų131.890%0.89570%0.702SS**  trans-85.5123.9164.7-76.782.3000110.3
504S39Very low51.9Low110 Ų110124.9 Ų124.977%0.76968%0.683SS**  trans-113.6108.2146.254.20000108.4S506S504-S506 VanDerWaalsContact C-N 3.31Å; S504-S506 PolarHBondContact O-N 2.76Å
505S45.1Very low54.8Low115 Ų115118.2 Ų118.280%0.80466%0.662SS**  trans-77.780.7179.658.10000110.2
506S54.2Low57.1Low60 Ų60116.9 Ų116.942%0.4266%0.656SS.*  trans-58.6136.3167.847.50000109.9S504S504-S506 VanDerWaalsContact C-N 3.31Å; S504-S506 PolarHBondContact O-N 2.76Å
507S71.6Confident59.8Low55 Ų55110.1 Ų110.139%0.38564%0.638SS.*  trans-64.7147.3174.8178.80000109.7E509 Q510 L511S507-E509 PolarHBondContact O-N 2.86Å; S507-E509 WeakPolarHBondContact OG-CB 3.49Å; S507-E509 PolarHBondContact OG-N 3.12Å; S507-Q510 WeakPolarHBondContact O-CA 3.2Å; S507-Q510 VanDerWaalsContact O-CB 3.26Å; S507-Q510 WeakPolarHBondContact O-CB 3.42Å; S507-Q510 PolarHBondContact O-N 2.89Å; S507-L511 PolarHBondContact O-N 2.69Å
508H72.8Confident62.5Low143 Ų143110.3 Ų110.366%0.66263%0.634SS**Hα-helixtrans-52.3-37.1169.2174.7-99.3000111.6Q510 L511 L512H508-Q510 VanDerWaalsContact C-N 3.29Å; H508-Q510 PolarHBondContact O-N 2.93Å; H508-L511 PolarHBondContact O-N 3.41Å; H508-L512 WeakPolarHBondContact O-CG 3.4Å; H508-L512 PolarHBondContact O-N 2.91Å
509E82.3Confident64.9Low142 Ų142105.5 Ų105.566%0.66462%0.617SS**Hα-helixtrans-60.3-35.5172.3-175.8179.6-167.500113.3S507 L512 S513S507-E509 PolarHBondContact O-N 2.86Å; S507-E509 WeakPolarHBondContact OG-CB 3.49Å; S507-E509 PolarHBondContact OG-N 3.12Å; E509-L512 PolarHBondContact O-N 2.86Å; E509-S513 WeakPolarHBondContact O-CB 3.4Å; E509-S513 PolarHBondContact O-N 3.37Å; E509-S513 PolarHBondContact O-OG 3.16Å
510Q79.8Confident67.1Low123 Ų123105.2 Ų105.258%0.57561%0.606SS**Hα-helixtrans-79-34.7-177.8-143.8168.78.900111.3S507 H508 S513 A514S507-Q510 WeakPolarHBondContact O-CA 3.2Å; S507-Q510 VanDerWaalsContact O-CB 3.26Å; S507-Q510 WeakPolarHBondContact O-CB 3.42Å; S507-Q510 PolarHBondContact O-N 2.89Å; H508-Q510 VanDerWaalsContact C-N 3.29Å; H508-Q510 PolarHBondContact O-N 2.93Å; Q510-S513 PolarHBondContact O-N 3.23Å; Q510-A514 PolarHBondContact O-N 2.92Å
511L83.3Confident69.3Low102 Ų102106.3 Ų106.353%0.53459%0.593SS.*Hα-helixtrans-68.7-37.8169-66.3173000111.8S507 H508 S515S507-L511 PolarHBondContact O-N 2.69Å; H508-L511 PolarHBondContact O-N 3.41Å; L511-S515 WeakPolarHBondContact O-CB 3.49Å; L511-S515 PolarHBondContact O-N 2.89Å
512L78.9Confident71.3Confident87 Ų87101.9 Ų101.946%0.45558%0.576SS.*Hα-helixtrans-63.4-41.9170.9-75.9173.5000111.8H508 E509 S515 L516H508-L512 WeakPolarHBondContact O-CG 3.4Å; H508-L512 PolarHBondContact O-N 2.91Å; E509-L512 PolarHBondContact O-N 2.86Å; L512-S515 PolarHBondContact O-N 2.77Å; L512-L516 WeakPolarHBondContact O-CB 3.07Å; L512-L516 VanDerWaalsContact O-CG 3.26Å; L512-L516 WeakPolarHBondContact O-CG 3.32Å; L512-L516 PolarHBondContact O-N 3.23Å
513S77.5Confident73.4Confident57 Ų5796.9 Ų96.940%0.39956%0.563SS.*Hα-helixtrans-59.7-51.9176.2-560000110.9E509 Q510 S515 L516 D517E509-S513 WeakPolarHBondContact O-CB 3.4Å; E509-S513 PolarHBondContact O-N 3.37Å; E509-S513 PolarHBondContact O-OG 3.16Å; Q510-S513 PolarHBondContact O-N 3.23Å; S513-S515 VanDerWaalsContact C-N 3.33Å; S513-S515 PolarHBondContact O-N 2.72Å; S513-L516 PolarHBondContact O-N 3.44Å; S513-D517 PolarHBondContact O-N 3.35Å
514A80.3Confident74.8Confident55 Ų5593.6 Ų93.646%0.45555%0.546SS..Hα-helixtrans-59.2-41177.400000112.9Q510 D517 E518Q510-A514 PolarHBondContact O-N 2.92Å; A514-D517 PolarHBondContact O-N 3.27Å; A514-E518 WeakPolarHBondContact O-CB 3.4Å; A514-E518 PolarHBondContact O-N 2.93Å
515S90.3Very high76.1Confident70 Ų7096.1 Ų96.149%0.4955%0.546SS..Hα-helixtrans-68.5-34.8177.1-176.80000112.9L511 L512 S513 A519L511-S515 WeakPolarHBondContact O-CB 3.49Å; L511-S515 PolarHBondContact O-N 2.89Å; L512-S515 PolarHBondContact O-N 2.77Å; S513-S515 VanDerWaalsContact C-N 3.33Å; S513-S515 PolarHBondContact O-N 2.72Å; S515-A519 VanDerWaalsContact O-CB 3.3Å; S515-A519 WeakPolarHBondContact O-CB 3.16Å; S515-A519 PolarHBondContact O-N 3.2Å
516L84.1Confident76.7Confident122 Ų12293.8 Ų93.864%0.63954%0.54SS*.Hα-helixtrans-69.6-40.9173.5-74.2168.4000111.7L512 S513 A519 L520L512-L516 WeakPolarHBondContact O-CB 3.07Å; L512-L516 VanDerWaalsContact O-CG 3.26Å; L512-L516 WeakPolarHBondContact O-CG 3.32Å; L512-L516 PolarHBondContact O-N 3.23Å; S513-L516 PolarHBondContact O-N 3.44Å; L516-A519 PolarHBondContact O-N 3.33Å; L516-L520 VanDerWaalsContact O-CB 3.3Å; L516-L520 WeakPolarHBondContact O-CB 3.34Å; L516-L520 PolarHBondContact O-N 3.35Å
517D87.3Confident76.8Confident95 Ų9599.9 Ų99.951%0.50855%0.554SS.*Hα-helixtrans-66.7-40176-71.7-33000111.7S513 A514 L520 L521S513-D517 PolarHBondContact O-N 3.35Å; A514-D517 PolarHBondContact O-N 3.27Å; D517-L520 PolarHBondContact O-N 2.73Å; D517-L521 WeakPolarHBondContact O-CB 2.92Å; D517-L521 VanDerWaalsContact O-CG 3.26Å; D517-L521 WeakPolarHBondContact O-CG 3.39Å; D517-L521 PolarHBondContact O-N 3.42Å
518E87.6Confident75.6Confident133 Ų133102.4 Ų102.462%0.62157%0.569SS**Hα-helixtrans-64.9-41.2174.4-174.7173.8-159.100111.8A514 L521 S522A514-E518 WeakPolarHBondContact O-CB 3.4Å; A514-E518 PolarHBondContact O-N 2.93Å; E518-L521 PolarHBondContact O-N 3.26Å; E518-S522 WeakPolarHBondContact O-CB 3.41Å; E518-S522 PolarHBondContact O-N 3.35Å; E518-S522 PolarHBondContact O-OG 2.77Å
519A83.1Confident74.5Confident56 Ų56100.5 Ų100.546%0.46357%0.572SS.*Hα-helixtrans-65.5-39.6173.600000112.1S515 L516 S522 A523S515-A519 VanDerWaalsContact O-CB 3.3Å; S515-A519 WeakPolarHBondContact O-CB 3.16Å; S515-A519 PolarHBondContact O-N 3.2Å; L516-A519 PolarHBondContact O-N 3.33Å; A519-S522 PolarHBondContact O-N 2.91Å; A519-A523 WeakPolarHBondContact O-CB 2.93Å; A519-A523 PolarHBondContact O-N 2.69Å
520L81.1Confident72.8Confident102 Ų102103.1 Ų103.153%0.53458%0.581SS.*Hα-helixtrans-63.4-48.1175.4-173.378.4000111.1L516 D517 S522 A523 L524L516-L520 VanDerWaalsContact O-CB 3.3Å; L516-L520 WeakPolarHBondContact O-CB 3.34Å; L516-L520 PolarHBondContact O-N 3.35Å; D517-L520 PolarHBondContact O-N 2.73Å; L520-S522 VanDerWaalsContact C-N 3.34Å; L520-S522 PolarHBondContact O-N 3.31Å; L520-A523 PolarHBondContact O-N 3.04Å; L520-L524 HydrophobicContact CD2-CD1 4.45Å; L520-L524 HydrophobicContact CG-CD1 4.04Å; L520-L524 WeakPolarHBondContact O-CB 3.39Å; L520-L524 VanDerWaalsContact O-CG 3.27Å; L520-L524 WeakPolarHBondContact O-CG 3.37Å; L520-L524 PolarHBondContact O-N 3.2Å
521L76.9Confident71.1Confident101 Ų101102.4 Ų102.453%0.52959%0.585SS.*Hα-helixtrans-61.6-42.4177.6-73.1168000111.4D517 E518 L524 Q525D517-L521 WeakPolarHBondContact O-CB 2.92Å; D517-L521 VanDerWaalsContact O-CG 3.26Å; D517-L521 WeakPolarHBondContact O-CG 3.39Å; D517-L521 PolarHBondContact O-N 3.42Å; E518-L521 PolarHBondContact O-N 3.26Å; L521-L524 PolarHBondContact O-N 3.21Å; L521-Q525 VanDerWaalsContact O-CG 3.31Å; L521-Q525 WeakPolarHBondContact O-CG 3.21Å; L521-Q525 PolarHBondContact O-N 3.16Å
522S77.6Confident68.9Low71 Ų71102.6 Ų102.650%0.49760%0.596SS.*Hα-helixtrans-61.1-43.9174.3-58.70000112E518 A519 L520 L524 Q525 G526E518-S522 WeakPolarHBondContact O-CB 3.41Å; E518-S522 PolarHBondContact O-N 3.35Å; E518-S522 PolarHBondContact O-OG 2.77Å; A519-S522 PolarHBondContact O-N 2.91Å; L520-S522 VanDerWaalsContact C-N 3.34Å; L520-S522 PolarHBondContact O-N 3.31Å; S522-L524 VanDerWaalsContact C-N 3.32Å; S522-L524 PolarHBondContact O-N 3.35Å; S522-Q525 PolarHBondContact O-N 3.21Å; S522-G526 PolarHBondContact O-N 2.84Å
523A72.4Confident67Low64 Ų64107 Ų10753%0.52962%0.62SS.*Hα-helixtrans-68.7-27.3177.300000113.5A519 L520A519-A523 WeakPolarHBondContact O-CB 2.93Å; A519-A523 PolarHBondContact O-N 2.69Å; L520-A523 PolarHBondContact O-N 3.04Å
524L64.6Low65.1Low102 Ų102111.5 Ų111.553%0.53464%0.638SS.*Hα-helixtrans-79.3-37.7175.2-71.9169.9000112.3L520 L521 S522 G526 R527L520-L524 HydrophobicContact CD2-CD1 4.45Å; L520-L524 HydrophobicContact CG-CD1 4.04Å; L520-L524 WeakPolarHBondContact O-CB 3.39Å; L520-L524 VanDerWaalsContact O-CG 3.27Å; L520-L524 WeakPolarHBondContact O-CG 3.37Å; L520-L524 PolarHBondContact O-N 3.2Å; L521-L524 PolarHBondContact O-N 3.21Å; S522-L524 VanDerWaalsContact C-N 3.32Å; S522-L524 PolarHBondContact O-N 3.35Å; L524-G526 PolarHBondContact O-N 2.75Å; L524-R527 PolarHBondContact O-N 2.69Å
525Q67.2Low63Low163 Ų163116.5 Ų116.576%0.76266%0.657SS**Hα-helixtrans-62.4-29.5174.3-73.1172.521.900112.5L521 S522 R527L521-Q525 VanDerWaalsContact O-CG 3.31Å; L521-Q525 WeakPolarHBondContact O-CG 3.21Å; L521-Q525 PolarHBondContact O-N 3.16Å; S522-Q525 PolarHBondContact O-N 3.21Å; Q525-R527 PolarHBondContact O-N 3.33Å
526G57.5Low60.3Low67 Ų67122.6 Ų122.669%0.69168%0.677SS**THydrogen-bonded Turntrans-74.28.9176.900000116.3S522 L524S522-G526 PolarHBondContact O-N 2.84Å; L524-G526 PolarHBondContact O-N 2.75Å
527R56.2Low57.7Low187 Ų187126.2 Ų126.271%0.70669%0.691SS**SBendtrans-129.2132.7-175.1-55.4-174.678.6177.65.5112.2L524 Q525 S529L524-R527 PolarHBondContact O-N 2.69Å; Q525-R527 PolarHBondContact O-N 3.33Å; R527-S529 PolarHBondContact O-N 2.96Å
528P46.8Very low55Low109 Ų109126.5 Ų126.571%0.70871%0.706SS**  trans-67.8119.7175.827.3-33.5000111F530P528-F530 HydrophobicContact CB-CE2 4.28Å; P528-F530 HydrophobicContact CG-CE2 4.33Å; P528-F530 PolarHBondContact O-N 3.03Å
529S49.2Very low52.3Low102 Ų102129.6 Ų129.671%0.71372%0.721SS**  trans-79.4103-177.656.40000112.3R527 T531R527-S529 PolarHBondContact O-N 2.96Å; S529-T531 PolarHBondContact O-N 3.48Å
530F48Very low49.7Very low197 Ų197132.2 Ų132.286%0.86474%0.735SS**  trans-81.338.6178.3-88.1-86.1000114.4P528P528-F530 HydrophobicContact CB-CE2 4.28Å; P528-F530 HydrophobicContact CG-CE2 4.33Å; P528-F530 PolarHBondContact O-N 3.03Å
531T42.2Very low47Very low108 Ų108133.3 Ų133.366%0.66375%0.746SS**SBendtrans-131.5107.7178.551.40000111.9S529S529-T531 PolarHBondContact O-N 3.48Å
532S38Very low44.8Very low107 Ų107133.5 Ų133.575%0.74876%0.756SS**  trans52.980.3160.460.40000118.9L534S532-L534 PolarHBondContact O-N 2.79Å
533N39.1Very low42.4Very low180 Ų180139 Ų13996%0.96377%0.774SS**  trans-73.991.6141.7-87.4-21.3000108.6
534L38.3Very low40.3Very low151 Ų151140.6 Ų140.679%0.79178%0.781SS**  trans-151.344.3175-138.5173.4000112.6S532S532-L534 PolarHBondContact O-N 2.79Å
535L34.5Very low38.5Very low160 Ų160141.8 Ų141.884%0.83879%0.793SS**SBendtrans-141.214.7177-107.1174.9000115.3
536H34.5Very low36.6Very low197 Ų197141.1 Ų141.191%0.91279%0.794SS**SBendtrans-137.855.3177.5-80-68.6000113.5
537Q29.6Very low35Very low199 Ų199142.3 Ų142.393%0.9379%0.79SS**  trans-153.776162-157.2168.136.800111.5
538A30.3Very low33.7Very low101 Ų101141.8 Ų141.884%0.83580%0.796SS**  trans-14325.2-17700000114.2
539E31.8Very low32.7Very low198 Ų198141.7 Ų141.793%0.92580%0.798SS**  trans-129.980175-71.7-163.4130.900112.3
540S27.2Very low31.7Very low110 Ų110142.4 Ų142.477%0.76980%0.803SS**SBendtrans-168.4127.7149.960.90000112.7
541T25.5Very low30.7Very low125 Ų125136.5 Ų136.577%0.76780%0.798SS**  trans69.380.3150.4-43.30000119.2
542S30Very low29.9Very low105 Ų105141.1 Ų141.173%0.73481%0.809SS**  39.6119.4116.9-48.90000121.3
543Q27.7Very low29.6Very low188 Ų188140.9 Ų140.988%0.87981%0.814SS**  -171.7159.6106.2-100175.218.200113.7
544S27.7Very low29.1Very low97 Ų97137.5 Ų137.568%0.67880%0.804SS**  trans-18.4150.4173.353.30000120
545T27.8Very low28.8Very low127 Ų127136 Ų13678%0.77981%0.807SS**  cis-158.2167.932.3-25.40000113.9
546L26.3Very low28.5Very low149 Ų149133.5 Ų133.578%0.7880%0.802SS**  trans-36157.1166.7-83.257.7000115.7
547C24.4Very low28.5Very low91 Ų91130.4 Ų130.462%0.61580%0.797SS**  cis-157.6163.424.4-134.80000115.7
548Q28Very low29.3Very low176 Ų176127.4 Ų127.482%0.82279%0.788SS**  trans-1150.8141.4-58.216624.200118.8
549S27.1Very low30.4Very low108 Ų108124.8 Ų124.876%0.75577%0.77SS**  cis-160.7160.8-558.40000107.5
550S28.6Very low32.3Very low117 Ų117120 Ų12082%0.81875%0.746SS**  178.8156.769.144.80000108.6
551G25.2Very low34.9Very low73 Ų73117.1 Ų117.175%0.75372%0.724SS**  trans-98.8146.7-169.300000115.3
552F26Very low37.7Very low204 Ų204111.3 Ų111.390%0.89569%0.689SS**  trans-136.8116.8146.9-107.7-82000108.7
553A32.4Very low40.1Very low103 Ų103108 Ų10885%0.85167%0.665SS**  trans-98.1115.7173.900000109.1
554S28.7Very low42.6Very low109 Ų109102.1 Ų102.176%0.76264%0.64SS**  trans-136.8116.1171.8-66.50000108.8
555S30.8Very low45.2Very low120 Ų12099.8 Ų99.884%0.83962%0.623SS**  trans-79.5136.8178.853.20000112.3
556S29.9Very low47.5Very low106 Ų10698.5 Ų98.574%0.74162%0.619SS**  trans-170.4127.7146.839.80000113.1
557T33.1Very low49.7Very low132 Ų13299.6 Ų99.681%0.8161%0.613SS**  trans42.6129.6147.555.50000121.2G559T557-G559 PolarHBondContact O-N 3.19Å
558D45.8Very low51.7Low137 Ų13799.5 Ų99.573%0.73361%0.613SS**  trans-6569.4165.1-178.725.3000112.2K560D558-K560 WeakPolarHBondContact OD1-CE 3.34Å; D558-K560 IonicContact OD1-NZ 3.36Å; D558-K560 IonicContact OD2-NZ 2.66Å; D558-K560 PolarHBondContact OD2-NZ 3.22Å
559G53.9Low53.3Low45 Ų4592.9 Ų92.946%0.46459%0.585SS.*  trans-97.390.1-176.400000112.2T557 V561T557-G559 PolarHBondContact O-N 3.19Å; G559-V561 PolarHBondContact O-N 3Å
560K72.1Confident54.8Low97 Ų9790.6 Ų90.642%0.42257%0.569SS.*  trans-71.775.7171.8-64.8162.3-167.6152.40109.7D558 V569D558-K560 WeakPolarHBondContact OD1-CE 3.34Å; D558-K560 IonicContact OD1-NZ 3.36Å; D558-K560 IonicContact OD2-NZ 2.66Å; D558-K560 PolarHBondContact OD2-NZ 3.22Å; K560-V569 HydrophobicContact CB-CB 4.25Å; K560-V569 WeakPolarHBondContact O-CB 3.45Å; K560-V569 WeakPolarHBondContact O-CG2 3.48Å; K560-V569 PolarHBondContact O-N 3.01Å
561V81.4Confident55.7Low50 Ų5089.9 Ų89.930%0.30356%0.559SS.*BIsolated β-bridgetrans-135.7147-164.2177.50000111.2G559 S566 R567G559-V561 PolarHBondContact O-N 3Å; V561-S566 VanDerWaalsContact CG1-C 3.44Å; V561-S566 WeakPolarHBondContact CG1-O 3.49Å; V561-R567 WeakPolarHBondContact CA-O 3.42Å
562C84.4Confident56.6Low4 Ų496.1 Ų96.13%0.02756%0.562CS.*  trans-73.5122.6173.5179.10000112.3D564 S566 R567 C593C562-D564 VanDerWaalsContact C-N 3.26Å; C562-D564 PolarHBondContact O-N 3.18Å; C562-D564 VanDerWaalsContact O-N 3.16Å; C562-S566 VanDerWaalsContact O-CA 3.28Å; C562-S566 WeakPolarHBondContact O-CA 3.07Å; C562-S566 PolarHBondContact O-N 3.2Å; C562-R567 PolarHBondContact N-O 2.83Å; C562-C593 HydrophobicContact CB-CB 4.34Å; C562-C593 PolarHBondContact SG-N 2.9Å
563S81.4Confident57.4Low34 Ų3490.4 Ų90.424%0.23855%0.547CS..THydrogen-bonded Turntrans-62.7-14.2-178.8-730000116.9L591 P616 T617S563-L591 WeakPolarHBondContact CB-O 3.49Å; S563-L591 PolarHBondContact N-O 3.3Å; S563-L591 PolarHBondContact OG-O 2.88Å; S563-P616 WeakPolarHBondContact O-CG 3.38Å; S563-T617 VanDerWaalsContact CB-OG1 3.29Å; S563-T617 WeakPolarHBondContact CB-OG1 3.43Å; S563-T617 PolarHBondContact OG-OG1 3.06Å
564D79.4Confident57.6Low66 Ų6690.3 Ų90.335%0.35354%0.54SS..THydrogen-bonded Turntrans-104.7-39.4179.9179.960.3000113.3C562 L592 C596 P616C562-D564 VanDerWaalsContact C-N 3.26Å; C562-D564 PolarHBondContact O-N 3.18Å; C562-D564 VanDerWaalsContact O-N 3.16Å; D564-L592 HydrophobicContact CB-CD2 3.67Å; D564-C596 HydrophobicContact CB-CB 3.8Å; D564-C596 WeakPolarHBondContact OD2-CB 3.46Å; D564-C596 PolarHBondContact OD2-SG 3.41Å; D564-P616 HydrophobicContact CB-CG 3.98Å
565C81.8Confident58.4Low48 Ų4891 Ų9132%0.32455%0.545SS..THydrogen-bonded Turntrans-119.39.1-174.465.70000114.6R567C565-R567 PolarHBondContact O-N 3.31Å
566S76.3Confident58.9Low99 Ų9990.9 Ų90.969%0.69254%0.544SS*.  trans52.220.5177.1-56.20000115.8V561 C562V561-S566 VanDerWaalsContact CG1-C 3.44Å; V561-S566 WeakPolarHBondContact CG1-O 3.49Å; C562-S566 VanDerWaalsContact O-CA 3.28Å; C562-S566 WeakPolarHBondContact O-CA 3.07Å; C562-S566 PolarHBondContact O-N 3.2Å
567R72.8Confident59.5Low172 Ų17290.5 Ų90.565%0.64954%0.541SS*.  trans-78.3129.7177.5-68.4-175.8180-171.3-1.9111V561 C562 C565V561-R567 WeakPolarHBondContact CA-O 3.42Å; C562-R567 PolarHBondContact N-O 2.83Å; C565-R567 PolarHBondContact O-N 3.31Å
568S66.9Low60Low90 Ų9090.5 Ų90.563%0.62955%0.547SS*.BIsolated β-bridgetrans-71.6146.9176.250.80000112.6
569V62Low60Low36 Ų3687.8 Ų87.822%0.21854%0.539CS..  trans-99.9109172.6-179.50000107.8K560 I583 Y632K560-V569 HydrophobicContact CB-CB 4.25Å; K560-V569 WeakPolarHBondContact O-CB 3.45Å; K560-V569 WeakPolarHBondContact O-CG2 3.48Å; K560-V569 PolarHBondContact O-N 3.01Å; V569-I583 HydrophobicContact CB-CD1 4.19Å; V569-I583 HydrophobicContact CG1-CD1 3.52Å; V569-I583 HydrophobicContact CG1-CG1 4.47Å; V569-I583 HydrophobicContact CG2-CD1 3.56Å; V569-I583 HydrophobicContact CG2-CG1 3.61Å; V569-Y632 HydrophobicContact CG1-CD2 3.91Å; V569-Y632 HydrophobicContact CG1-CG 4.48Å
570S56.7Low59.9Low61 Ų6190.9 Ų90.943%0.42755%0.553SS.*  trans-127.5143.2169.2110.70000109.6Y572 S573S570-Y572 PolarHBondContact O-N 3.36Å; S570-Y572 PolarHBondContact OG-N 2.77Å; S570-S573 PolarHBondContact OG-N 2.79Å; S570-S573 PolarHBondContact OG-OG 2.86Å
571V48.8Very low59.2Low102 Ų10290 Ų9062%0.61856%0.559SS**THydrogen-bonded Turntrans-69.7-18.5178.3-178.10000111.5
572Y44.5Very low58.9Low203 Ų20388.3 Ų88.380%0.79655%0.549SS*.THydrogen-bonded Turntrans-110.615.7-172.9-65-76000114.4S570 S574S570-Y572 PolarHBondContact O-N 3.36Å; S570-Y572 PolarHBondContact OG-N 2.77Å; Y572-S574 PolarHBondContact O-N 3.43Å
573S41.3Very low58.9Low84 Ų8489 Ų8959%0.58755%0.553SS**  trans-75.585.5178.1-640000112.1S570 S575S570-S573 PolarHBondContact OG-N 2.79Å; S570-S573 PolarHBondContact OG-OG 2.86Å; S573-S575 PolarHBondContact O-N 3.35Å
574S36.9Very low59Low101 Ų10189.3 Ų89.371%0.70655%0.549SS*.  trans-64.6125.9-174.9-54.40000115.3Y572 S576Y572-S574 PolarHBondContact O-N 3.43Å; S574-S576 PolarHBondContact O-N 3.38Å
575S45.4Very low59.3Low125 Ų12592.3 Ų92.387%0.87456%0.555SS**SBend50.949.1129.3-49.70000120.3S573S573-S575 PolarHBondContact O-N 3.35Å
576S42.7Very low59.5Low116 Ų11690.2 Ų90.281%0.81154%0.541SS*.SBendtrans-138.421.2165.585.30000116.3S574S574-S576 PolarHBondContact O-N 3.38Å
577S42Very low59.6Low98 Ų9888.5 Ų88.569%0.68554%0.539SS*.SBendtrans-164.5148.1158.350.40000111.7S579S577-S579 VanDerWaalsContact C-N 3.25Å; S577-S579 PolarHBondContact O-N 3.15Å
578S43.2Very low60.1Low132 Ų13282.5 Ų82.592%0.92352%0.523SS*.SBendtrans-77.159.3-169-48.70000114.2
579S45.4Very low60.7Low81 Ų8179.5 Ų79.557%0.56651%0.506SS*.  trans-158.4105.4173.6-80.40000112S577 S581S577-S579 VanDerWaalsContact C-N 3.25Å; S577-S579 PolarHBondContact O-N 3.15Å; S579-S581 PolarHBondContact O-N 2.82Å; S579-S581 PolarHBondContact O-OG 3.36Å
580S51.6Low61.9Low109 Ų10980.7 Ų80.776%0.76251%0.509SS*.  trans-60.1110163.349.50000108.6S582S580-S582 VanDerWaalsContact C-N 3.29Å; S580-S582 PolarHBondContact O-N 2.74Å
581S58.6Low63.4Low78 Ų7878.7 Ų78.755%0.54549%0.493SS..  trans-75.878.6-162.2-760000111.8S579 I583S579-S581 PolarHBondContact O-N 2.82Å; S579-S581 PolarHBondContact O-OG 3.36Å; S581-I583 WeakPolarHBondContact O-CD1 3.46Å; S581-I583 WeakPolarHBondContact O-CG1 3.45Å; S581-I583 PolarHBondContact O-N 2.89Å
582S74.8Confident65.1Low15 Ų1574 Ų7411%0.10547%0.465CS..  trans-58.6128.2177-61.80000110.6S580 Y584 R594 R629S580-S582 VanDerWaalsContact C-N 3.29Å; S580-S582 PolarHBondContact O-N 2.74Å; S582-Y584 WeakPolarHBondContact O-CE2 3.28Å; S582-R594 PolarHBondContact O-N 3.16Å; S582-R629 PolarHBondContact OG-NE 3.06Å; S582-R629 PolarHBondContact OG-NH2 3.4Å
583I83.4Confident67Low18 Ų1865 Ų659%0.09243%0.431CS..EExtended strand (participates in β ladder)trans-103.4147.7179.5-56.5104.4000109.7V569 S581 L591 L592 R629 V630 Y632V569-I583 HydrophobicContact CB-CD1 4.19Å; V569-I583 HydrophobicContact CG1-CD1 3.52Å; V569-I583 HydrophobicContact CG1-CG1 4.47Å; V569-I583 HydrophobicContact CG2-CD1 3.56Å; V569-I583 HydrophobicContact CG2-CG1 3.61Å; S581-I583 WeakPolarHBondContact O-CD1 3.46Å; S581-I583 WeakPolarHBondContact O-CG1 3.45Å; S581-I583 PolarHBondContact O-N 2.89Å; I583-L591 HydrophobicContact CG2-CB 3.86Å; I583-L591 HydrophobicContact CG2-CD1 4.37Å; I583-L591 HydrophobicContact CG2-CD2 4.06Å; I583-L591 HydrophobicContact CG2-CG 4.32Å; I583-L592 CarbonylContact C-O 3.56Å; I583-L592 WeakPolarHBondContact CA-O 3.3Å; I583-R629 WeakPolarHBondContact O-CA 3.42Å; I583-V630 PolarHBondContact O-N 2.89Å; I583-Y632 HydrophobicContact CD1-CD2 4.47Å
584Y84.8Confident69Low42 Ų4266.6 Ų66.617%0.16543%0.425CS..EExtended strand (participates in β ladder)trans-131.7127.6-174.7-64.3-87.6000109S582 L591 L592 R594 V597 I627 L628 R629S582-Y584 WeakPolarHBondContact O-CE2 3.28Å; Y584-L591 CarbonylContact O-C 3.52Å; Y584-L591 WeakPolarHBondContact O-CA 3.38Å; Y584-L592 PolarHBondContact N-O 3.08Å; Y584-L592 PolarHBondContact O-N 3.35Å; Y584-R594 HydrophobicContact CE2-CB 3.93Å; Y584-R594 HydrophobicContact CE2-CG 4.34Å; Y584-V597 HydrophobicContact CD2-CG2 4.03Å; Y584-V597 HydrophobicContact CG-CG2 4.22Å; Y584-I627 HydrophobicContact CD1-CG2 4.02Å; Y584-I627 HydrophobicContact CG-CG2 4.23Å; Y584-L628 CarbonylContact C-O 3.49Å; Y584-L628 WeakPolarHBondContact CA-O 3.35Å; Y584-R629 HydrophobicContact CD1-CB 4.08Å; Y584-R629 HydrophobicContact CD1-CG 4.41Å; Y584-R629 HydrophobicContact CE1-CB 3.94Å; Y584-R629 HydrophobicContact CE1-CG 4.06Å
585R86.3Confident71.1Confident128 Ų12865 Ų6548%0.48342%0.417SS..EExtended strand (participates in β ladder)trans-92.5129.6176.1-168.4174.5-170.7-138.70.9109.8G589 H590 L591 L628 V630R585-G589 WeakPolarHBondContact CG-O 3.42Å; R585-G589 PolarHBondContact NE-O 2.8Å; R585-H590 WeakPolarHBondContact CA-O 3.45Å; R585-L591 HydrophobicContact CB-CD2 4Å; R585-L591 HydrophobicContact CG-CD2 4.1Å; R585-L628 PolarHBondContact N-O 3.05Å; R585-L628 PolarHBondContact O-N 3.07Å; R585-L628 VanDerWaalsContact O-N 3.13Å; R585-V630 HydrophobicContact CB-CG2 3.63Å
586L85Confident72.8Confident5 Ų559.4 Ų59.43%0.02638%0.378CS..  trans-82.6165.2174-62.4-177.9000110.9C588 G589 H590 L592 V613 C615 I627L586-C588 PolarHBondContact O-N 2.92Å; L586-C588 VanDerWaalsContact O-N 3.15Å; L586-G589 PolarHBondContact O-N 2.94Å; L586-H590 PolarHBondContact N-O 3.23Å; L586-L592 HydrophobicContact CD1-CD1 3.87Å; L586-L592 HydrophobicContact CD1-CG 4.18Å; L586-L592 HydrophobicContact CD2-CD1 4.3Å; L586-L592 HydrophobicContact CG-CD1 4.33Å; L586-V613 HydrophobicContact CD2-CG1 4.25Å; L586-C615 HydrophobicContact CD1-CB 3.55Å; L586-I627 HydrophobicContact CD2-CD1 4.14Å; L586-I627 HydrophobicContact CD2-CG1 4.12Å; L586-I627 HydrophobicContact CD2-CG2 4.47Å
587G78.9Confident74.5Confident63 Ų6355 Ų5565%0.64935%0.347SS*.THydrogen-bonded Turntrans-62.7-21.8179.500000113.8G589 T622G587-G589 VanDerWaalsContact C-N 3.28Å; G587-T622 PolarHBondContact N-OG1 2.77Å
588C83.1Confident76.1Confident46 Ų4654.6 Ų54.631%0.31133%0.334SS..THydrogen-bonded Turntrans-84.99.2171.861.30000114.3L586 H590 S620L586-C588 PolarHBondContact O-N 2.92Å; L586-C588 VanDerWaalsContact O-N 3.15Å; C588-H590 VanDerWaalsContact C-N 3.27Å; C588-H590 PolarHBondContact O-N 2.83Å; C588-H590 PolarHBondContact O-ND1 2.78Å; C588-H590 PolarHBondContact SG-ND1 3.13Å; C588-H590 VanDerWaalsContact SG-ND1 3.38Å; C588-S620 VanDerWaalsContact CB-OG 3.28Å; C588-S620 WeakPolarHBondContact CB-OG 3.43Å; C588-S620 PolarHBondContact SG-OG 3.24Å
589G79.7Confident77.4Confident27 Ų2755 Ų5528%0.27832%0.319SS..SBendtrans84.2-20.6177.500000116.1R585 L586 G587R585-G589 WeakPolarHBondContact CG-O 3.42Å; R585-G589 PolarHBondContact NE-O 2.8Å; L586-G589 PolarHBondContact O-N 2.94Å; G587-G589 VanDerWaalsContact C-N 3.28Å
590H86.5Confident78.1Confident60 Ų6054.9 Ų54.928%0.27831%0.312SS..  trans-64.2157.1178.2-68.1101.2000113.8R585 L586 C588 C618R585-H590 WeakPolarHBondContact CA-O 3.45Å; L586-H590 PolarHBondContact N-O 3.23Å; C588-H590 VanDerWaalsContact C-N 3.27Å; C588-H590 PolarHBondContact O-N 2.83Å; C588-H590 PolarHBondContact O-ND1 2.78Å; C588-H590 PolarHBondContact SG-ND1 3.13Å; C588-H590 VanDerWaalsContact SG-ND1 3.38Å; H590-C618 PolarHBondContact ND1-SG 2.94Å
591L88Confident78.4Confident19 Ų1952.4 Ų52.410%0.09930%0.295CS..EExtended strand (participates in β ladder)trans-112.4135.5-172.6-59.4178.6000112.2S563 I583 Y584 R585 Y632S563-L591 WeakPolarHBondContact CB-O 3.49Å; S563-L591 PolarHBondContact N-O 3.3Å; S563-L591 PolarHBondContact OG-O 2.88Å; I583-L591 HydrophobicContact CG2-CB 3.86Å; I583-L591 HydrophobicContact CG2-CD1 4.37Å; I583-L591 HydrophobicContact CG2-CD2 4.06Å; I583-L591 HydrophobicContact CG2-CG 4.32Å; Y584-L591 CarbonylContact O-C 3.52Å; Y584-L591 WeakPolarHBondContact O-CA 3.38Å; R585-L591 HydrophobicContact CB-CD2 4Å; R585-L591 HydrophobicContact CG-CD2 4.1Å; L591-Y632 HydrophobicContact CD1-CE2 4.41Å
592L85Confident78Confident4 Ų456.7 Ų56.72%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-127.2142.6171.5-68.6-178.4000111.4D564 I583 Y584 L586 C596 V597 V613 P616D564-L592 HydrophobicContact CB-CD2 3.67Å; I583-L592 CarbonylContact C-O 3.56Å; I583-L592 WeakPolarHBondContact CA-O 3.3Å; Y584-L592 PolarHBondContact N-O 3.08Å; Y584-L592 PolarHBondContact O-N 3.35Å; L586-L592 HydrophobicContact CD1-CD1 3.87Å; L586-L592 HydrophobicContact CD1-CG 4.18Å; L586-L592 HydrophobicContact CD2-CD1 4.3Å; L586-L592 HydrophobicContact CG-CD1 4.33Å; L592-C596 HydrophobicContact CB-CB 4.47Å; L592-C596 HydrophobicContact CD2-CB 4.23Å; L592-V597 HydrophobicContact CB-CG2 3.58Å; L592-V597 HydrophobicContact CD1-CG2 4.1Å; L592-V613 HydrophobicContact CD1-CG1 4.1Å; L592-P616 HydrophobicContact CD2-CG 4.24Å
593C85.1Confident76.7Confident13 Ų1360 Ų609%0.08833%0.327CS..EExtended strand (participates in β ladder)trans-82.1159.3171.1810000111.4C562 A595 C596 V597C562-C593 HydrophobicContact CB-CB 4.34Å; C562-C593 PolarHBondContact SG-N 2.9Å; C593-A595 PolarHBondContact O-N 3.03Å; C593-A595 VanDerWaalsContact O-N 3.08Å; C593-C596 PolarHBondContact O-N 3.17Å; C593-C596 PolarHBondContact SG-SG 3.41Å; C593-V597 PolarHBondContact O-N 2.8Å
594R83.2Confident74.9Confident118 Ų11865 Ų6545%0.44536%0.361SS..Hα-helixtrans-46-40.7-179.5-172.7178.4172.499.4-8.3114.5S582 Y584 Q598S582-R594 PolarHBondContact O-N 3.16Å; Y584-R594 HydrophobicContact CE2-CB 3.93Å; Y584-R594 HydrophobicContact CE2-CG 4.34Å; R594-Q598 WeakPolarHBondContact O-CB 3.32Å; R594-Q598 VanDerWaalsContact O-CG 3.3Å; R594-Q598 WeakPolarHBondContact O-CG 3.29Å; R594-Q598 PolarHBondContact O-N 3.46Å; R594-Q598 VanDerWaalsContact O-N 3.17Å
595A79.8Confident73.1Confident67 Ų6770.2 Ų70.255%0.55439%0.391SS*.Hα-helixtrans-66.4-43.2-178.600000112.1C593 Q598 K599C593-A595 PolarHBondContact O-N 3.03Å; C593-A595 VanDerWaalsContact O-N 3.08Å; A595-Q598 PolarHBondContact O-N 3.17Å; A595-K599 PolarHBondContact O-N 3.04Å
596C80.8Confident71Confident8 Ų868.2 Ų68.25%0.05440%0.397CS..Hα-helixtrans-66.7-45.6179.8-56.80000111.2D564 L592 C593 Q598 K599D564-C596 HydrophobicContact CB-CB 3.8Å; D564-C596 WeakPolarHBondContact OD2-CB 3.46Å; D564-C596 PolarHBondContact OD2-SG 3.41Å; L592-C596 HydrophobicContact CB-CB 4.47Å; L592-C596 HydrophobicContact CD2-CB 4.23Å; C593-C596 PolarHBondContact O-N 3.17Å; C593-C596 PolarHBondContact SG-SG 3.41Å; C596-Q598 PolarHBondContact O-N 3.45Å; C596-K599 WeakPolarHBondContact O-CB 3.48Å; C596-K599 PolarHBondContact O-N 2.88Å
597V79.9Confident69.1Low25 Ų2575 Ų7515%0.15244%0.439CS..Hα-helixtrans-59.9-29.7175.1-178.20000112.3Y584 L592 C593 V613Y584-V597 HydrophobicContact CD2-CG2 4.03Å; Y584-V597 HydrophobicContact CG-CG2 4.22Å; L592-V597 HydrophobicContact CB-CG2 3.58Å; L592-V597 HydrophobicContact CD1-CG2 4.1Å; C593-V597 PolarHBondContact O-N 2.8Å; V597-V613 HydrophobicContact CG1-CG2 4.49Å
598Q75.5Confident67.4Low89 Ų8977.9 Ų77.942%0.41644%0.439SS..Hα-helixtrans-86.6-18.7177-71.3-177.4-9.100113.9R594 A595 C596 S601R594-Q598 WeakPolarHBondContact O-CB 3.32Å; R594-Q598 VanDerWaalsContact O-CG 3.3Å; R594-Q598 WeakPolarHBondContact O-CG 3.29Å; R594-Q598 PolarHBondContact O-N 3.46Å; R594-Q598 VanDerWaalsContact O-N 3.17Å; A595-Q598 PolarHBondContact O-N 3.17Å; C596-Q598 PolarHBondContact O-N 3.45Å; Q598-S601 PolarHBondContact O-N 3.49Å; Q598-S601 PolarHBondContact O-OG 3.38Å
599K70.1Confident65.9Low140 Ų14085.9 Ų85.961%0.60947%0.468SS*.Hα-helixtrans-67.8-46.4176.9-169.3-177.7173.4-165.50110.8A595 C596 S601 K602A595-K599 PolarHBondContact O-N 3.04Å; C596-K599 WeakPolarHBondContact O-CB 3.48Å; C596-K599 PolarHBondContact O-N 2.88Å; K599-S601 PolarHBondContact O-N 3.17Å; K599-S601 VanDerWaalsContact O-N 3.07Å; K599-K602 PolarHBondContact O-N 3.23Å
600D60.9Low64.7Low78 Ų7887.9 Ų87.942%0.41748%0.478SS..THydrogen-bonded Turntrans-56.6-22.7172.5-89.420.3000113.1S614D600-S614 PolarHBondContact OD2-N 2.98Å; D600-S614 PolarHBondContact OD2-OG 3.26Å; D600-S614 VanDerWaalsContact OD2-OG 3.06Å
601S56.8Low63.7Low57 Ų5787.1 Ų87.140%0.39949%0.487SS..THydrogen-bonded Turntrans-85.3-2.1178.277.70000115.7Q598 K599 R624Q598-S601 PolarHBondContact O-N 3.49Å; Q598-S601 PolarHBondContact O-OG 3.38Å; K599-S601 PolarHBondContact O-N 3.17Å; K599-S601 VanDerWaalsContact O-N 3.07Å; S601-R624 VanDerWaalsContact CB-NH2 3.32Å
602K50.3Low63.1Low169 Ų16988.5 Ų88.574%0.73550%0.498SS*.  trans-127.116.5-170-71.4-170.1174.6-173.60115.1K599 P604K599-K602 PolarHBondContact O-N 3.23Å; K602-P604 WeakPolarHBondContact O-CD 3.28Å
603S48.4Very low62.9Low85 Ų8588.4 Ų88.459%0.59450%0.497SS*.  trans-64.8123.1168.6-1770000110.2N605S603-N605 VanDerWaalsContact C-N 3.3Å; S603-N605 PolarHBondContact O-N 3.23Å
604P45.6Very low62.7Low123 Ų12390.3 Ų90.380%0.79951%0.511SS*.SBendtrans-68.9-25.6-178.5-21.834.5000114.1K602K602-P604 WeakPolarHBondContact O-CD 3.28Å
605N46.2Very low62.7Low151 Ų15184.7 Ų84.781%0.80749%0.489SS*.SBendtrans-115.369.2-167.9-73-9.1000112.5S603S603-N605 VanDerWaalsContact C-N 3.3Å; S603-N605 PolarHBondContact O-N 3.23Å
606S42.6Very low62.7Low86 Ų8684.3 Ų84.360%0.60148%0.481SS*.  trans-155.6124.2155.5-1580000112N608S606-N608 PolarHBondContact O-N 3.31Å
607T45.2Very low62.6Low148 Ų14887.9 Ų87.991%0.90850%0.503SS*.  trans-78.65.7177.839.30000114
608N43.1Very low62.6Low122 Ų12289.5 Ų89.565%0.65252%0.515SS*.  trans-89.3110.8-177.7-81.1-51.5000113.1S606 S610S606-N608 PolarHBondContact O-N 3.31Å; N608-S610 PolarHBondContact O-N 2.87Å
609K50.6Low62.7Low214 Ų21492 Ų9293%0.9353%0.53SS*.  trans-71.540.5167.3-69.3-176.5176.9176.30113.3G611K609-G611 PolarHBondContact O-N 3.15Å; K609-G611 VanDerWaalsContact O-N 3.15Å
610S55.9Low63.1Low69 Ų6987.2 Ų87.248%0.48351%0.514SS..  trans-73.8105.2170.955.90000109.6N608 C612N608-S610 PolarHBondContact O-N 2.87Å; S610-C612 PolarHBondContact O-N 2.89Å
611G65.4Low64Low44 Ų4492.6 Ų92.645%0.45453%0.529SS..  trans-70.737.5179.700000114.9K609 R624K609-G611 PolarHBondContact O-N 3.15Å; K609-G611 VanDerWaalsContact O-N 3.15Å; G611-R624 WeakPolarHBondContact O-CG 3.47Å; G611-R624 PolarHBondContact O-N 2.82Å
612C73.9Confident65Low49 Ų4990.1 Ų90.133%0.33151%0.511SS..EExtended strand (participates in β ladder)trans-118.9150.4-175.9-55.70000111.2S610 R621 T622S610-C612 PolarHBondContact O-N 2.89Å; C612-R621 HydrophobicContact CB-CB 4.18Å; C612-T622 CarbonylContact C-O 3.59Å; C612-T622 WeakPolarHBondContact CA-O 3.12Å
613V81.8Confident66.5Low1 Ų184.6 Ų84.61%0.00649%0.493CS..EExtended strand (participates in β ladder)trans-108.6139.1172.31760000108.6L586 L592 V597 T622 R624 I627L586-V613 HydrophobicContact CD2-CG1 4.25Å; L592-V613 HydrophobicContact CD1-CG1 4.1Å; V597-V613 HydrophobicContact CG1-CG2 4.49Å; V613-T622 PolarHBondContact N-O 2.98Å; V613-T622 PolarHBondContact O-N 3.27Å; V613-R624 HydrophobicContact CG2-CG 4.11Å; V613-I627 HydrophobicContact CB-CD1 3.74Å; V613-I627 HydrophobicContact CG2-CD1 3.51Å
614S81.6Confident67.8Low54 Ų5486.7 Ų86.738%0.37849%0.488SS..EExtended strand (participates in β ladder)trans-85.7135177.84.60000110.5D600 P616D600-S614 PolarHBondContact OD2-N 2.98Å; D600-S614 PolarHBondContact OD2-OG 3.26Å; D600-S614 VanDerWaalsContact OD2-OG 3.06Å; S614-P616 WeakPolarHBondContact O-CD 3.48Å
615C83.3Confident69.2Low0 Ų088.2 Ų88.20%049%0.489CS..  trans-76.2122.9162.9-175.40000109.3L586 T617 L619 S620L586-C615 HydrophobicContact CD1-CB 3.55Å; C615-T617 VanDerWaalsContact C-N 3.3Å; C615-T617 PolarHBondContact O-N 2.68Å; C615-T617 PolarHBondContact SG-N 3.26Å; C615-L619 WeakPolarHBondContact O-CA 3.45Å; C615-L619 PolarHBondContact O-N 3.44Å; C615-S620 WeakPolarHBondContact CB-OG 3.38Å; C615-S620 PolarHBondContact N-O 2.83Å
616P77.9Confident70.7Confident59 Ų5985.7 Ų85.738%0.38348%0.475SS..THydrogen-bonded Turntrans-67.8-29.7175.827.4-34.7000112.6S563 D564 L592 S614S563-P616 WeakPolarHBondContact O-CG 3.38Å; D564-P616 HydrophobicContact CB-CG 3.98Å; L592-P616 HydrophobicContact CD2-CG 4.24Å; S614-P616 WeakPolarHBondContact O-CD 3.48Å
617T78.4Confident72.7Confident82 Ų8282.8 Ų82.850%0.50345%0.453SS..THydrogen-bonded Turntrans-75.4-34.2-177.5-45.90000113.6S563 C615S563-T617 VanDerWaalsContact CB-OG1 3.29Å; S563-T617 WeakPolarHBondContact CB-OG1 3.43Å; S563-T617 PolarHBondContact OG-OG1 3.06Å; C615-T617 VanDerWaalsContact C-N 3.3Å; C615-T617 PolarHBondContact O-N 2.68Å; C615-T617 PolarHBondContact SG-N 3.26Å
618C81Confident74.4Confident60 Ų6081.2 Ų81.241%0.40544%0.438SS..THydrogen-bonded Turntrans-136.713.2-173.670.90000114.7H590 S620H590-C618 PolarHBondContact ND1-SG 2.94Å; C618-S620 PolarHBondContact O-N 3.31Å; C618-S620 PolarHBondContact SG-OG 3.19Å
619L77.5Confident76.3Confident141 Ų14181.5 Ų81.574%0.73843%0.43SS*.  trans56.3-2.1174.9-57177.4000117.4C615 R621C615-L619 WeakPolarHBondContact O-CA 3.45Å; C615-L619 PolarHBondContact O-N 3.44Å; L619-R621 PolarHBondContact O-N 3.5Å
620S78Confident77.5Confident39 Ų3972.9 Ų72.927%0.27340%0.395SS..  trans-59.6133.3177.462.50000112C588 C615 C618C588-S620 VanDerWaalsContact CB-OG 3.28Å; C588-S620 WeakPolarHBondContact CB-OG 3.43Å; C588-S620 PolarHBondContact SG-OG 3.24Å; C615-S620 WeakPolarHBondContact CB-OG 3.38Å; C615-S620 PolarHBondContact N-O 2.83Å; C618-S620 PolarHBondContact O-N 3.31Å; C618-S620 PolarHBondContact SG-OG 3.19Å
621R79.7Confident78Confident192 Ų19275.9 Ų75.973%0.72540%0.402SS*.EExtended strand (participates in β ladder)trans-90.6114.9177.3-64.3-178.1178.3-163.4-1.8110.7C612 L619C612-R621 HydrophobicContact CB-CB 4.18Å; L619-R621 PolarHBondContact O-N 3.5Å
622T79.3Confident77.4Confident5 Ų581.1 Ų81.13%0.03141%0.408CS..EExtended strand (participates in β ladder)trans-98.8122.6174.2-56.50000109.6G587 C612 V613 N626 I627G587-T622 PolarHBondContact N-OG1 2.77Å; C612-T622 CarbonylContact C-O 3.59Å; C612-T622 WeakPolarHBondContact CA-O 3.12Å; V613-T622 PolarHBondContact N-O 2.98Å; V613-T622 PolarHBondContact O-N 3.27Å; T622-N626 HydrophobicContact CG2-CB 4.02Å; T622-I627 HydrophobicContact CG2-CG1 3.73Å
623P80.5Confident77.6Confident53 Ų5382.7 Ų82.734%0.34441%0.412SS..EExtended strand (participates in β ladder)trans-63.7141.6172.428.1-33.7000110N625 N626P623-N625 PolarHBondContact O-N 2.99Å; P623-N626 HydrophobicContact CG-CB 4.08Å; P623-N626 PolarHBondContact O-N 2.87Å
624R77Confident77.4Confident129 Ų12987 Ų8749%0.48743%0.434SS..G310 helixtrans-55.5-30.7-171.6-79-176.8-174.9-179.27.2114.3S601 G611 V613 N626 I627S601-R624 VanDerWaalsContact CB-NH2 3.32Å; G611-R624 WeakPolarHBondContact O-CG 3.47Å; G611-R624 PolarHBondContact O-N 2.82Å; V613-R624 HydrophobicContact CG2-CG 4.11Å; R624-N626 PolarHBondContact O-N 2.85Å; R624-I627 HydrophobicContact CB-CD1 4.49Å; R624-I627 HydrophobicContact CG-CD1 4.19Å; R624-I627 WeakPolarHBondContact O-CB 3.21Å; R624-I627 PolarHBondContact O-N 3.04Å
625N73.9Confident77.1Confident155 Ų15588.8 Ų88.883%0.82944%0.437SS*.G310 helixtrans-66.3-22.3177.5-61.39.9000113P623P623-N625 PolarHBondContact O-N 2.99Å
626N77.9Confident76.8Confident98 Ų9894.1 Ų94.152%0.52446%0.463SS..G310 helixtrans-98.610.2179.8-61.521.8000112.2T622 P623 R624T622-N626 HydrophobicContact CG2-CB 4.02Å; P623-N626 HydrophobicContact CG-CB 4.08Å; P623-N626 PolarHBondContact O-N 2.87Å; R624-N626 PolarHBondContact O-N 2.85Å
627I83.8Confident76.7Confident25 Ų2596.3 Ų96.313%0.12847%0.468CS..  trans-90.7103.8176.8-59179.9000108.5Y584 L586 V613 T622 R624Y584-I627 HydrophobicContact CD1-CG2 4.02Å; Y584-I627 HydrophobicContact CG-CG2 4.23Å; L586-I627 HydrophobicContact CD2-CD1 4.14Å; L586-I627 HydrophobicContact CD2-CG1 4.12Å; L586-I627 HydrophobicContact CD2-CG2 4.47Å; V613-I627 HydrophobicContact CB-CD1 3.74Å; V613-I627 HydrophobicContact CG2-CD1 3.51Å; T622-I627 HydrophobicContact CG2-CG1 3.73Å; R624-I627 HydrophobicContact CB-CD1 4.49Å; R624-I627 HydrophobicContact CG-CD1 4.19Å; R624-I627 WeakPolarHBondContact O-CB 3.21Å; R624-I627 PolarHBondContact O-N 3.04Å
628L81.1Confident76.6Confident114 Ų11497.2 Ų97.260%0.59747%0.465SS*.EExtended strand (participates in β ladder)trans-86.5126-176.3-60.4178.5000110.5Y584 R585 V630Y584-L628 CarbonylContact C-O 3.49Å; Y584-L628 WeakPolarHBondContact CA-O 3.35Å; R585-L628 PolarHBondContact N-O 3.05Å; R585-L628 PolarHBondContact O-N 3.07Å; R585-L628 VanDerWaalsContact O-N 3.13Å; L628-V630 PolarHBondContact O-N 3.28Å
629R82.9Confident76.3Confident129 Ų12999.9 Ų99.949%0.48747%0.469SS..EExtended strand (participates in β ladder)trans-70.1121.4169.5-172.3-173.1-172.8-158.16.7108.7S582 I583 Y584 H631S582-R629 PolarHBondContact OG-NE 3.06Å; S582-R629 PolarHBondContact OG-NH2 3.4Å; I583-R629 WeakPolarHBondContact O-CA 3.42Å; Y584-R629 HydrophobicContact CD1-CB 4.08Å; Y584-R629 HydrophobicContact CD1-CG 4.41Å; Y584-R629 HydrophobicContact CE1-CB 3.94Å; Y584-R629 HydrophobicContact CE1-CG 4.06Å; R629-H631 WeakPolarHBondContact CD-NE2 3.35Å; R629-H631 VanDerWaalsContact CZ-CE1 3.47Å; R629-H631 VanDerWaalsContact CZ-NE2 3.34Å; R629-H631 PolarHBondContact NE-NE2 2.81Å; R629-H631 PolarHBondContact NH1-CE1 3.5Å; R629-H631 PolarHBondContact NH1-NE2 3.15Å; R629-H631 VanDerWaalsContact NH1-NE2 3.15Å
630V75.7Confident76.2Confident32 Ų3296.7 Ų96.719%0.19445%0.449CS..EExtended strand (participates in β ladder)trans-97.3133.6175.9-172.90000109.1I583 R585 L628 Y632I583-V630 PolarHBondContact O-N 2.89Å; R585-V630 HydrophobicContact CB-CG2 3.63Å; L628-V630 PolarHBondContact O-N 3.28Å; V630-Y632 HydrophobicContact CB-CE2 4.06Å; V630-Y632 HydrophobicContact CG1-CD1 4.4Å; V630-Y632 HydrophobicContact CG1-CD2 3.87Å; V630-Y632 HydrophobicContact CG1-CE1 4.03Å; V630-Y632 HydrophobicContact CG1-CE2 3.45Å; V630-Y632 VanDerWaalsContact CG1-CE2 3.45Å; V630-Y632 HydrophobicContact CG1-CG 4.34Å
631H66.3Low76Confident133 Ų133101.5 Ų101.562%0.61646%0.463SS*.  trans-106.5137.8166.6-71.6-104.5000107.5R629R629-H631 WeakPolarHBondContact CD-NE2 3.35Å; R629-H631 VanDerWaalsContact CZ-CE1 3.47Å; R629-H631 VanDerWaalsContact CZ-NE2 3.34Å; R629-H631 PolarHBondContact NE-NE2 2.81Å; R629-H631 PolarHBondContact NH1-CE1 3.5Å; R629-H631 PolarHBondContact NH1-NE2 3.15Å; R629-H631 VanDerWaalsContact NH1-NE2 3.15Å
632Y54.4Low75.7Confident153 Ų15393.3 Ų93.360%0.644%0.44SS*.  trans-126.60176.5-68.5-76.2000108.1V569 I583 L591 V630V569-Y632 HydrophobicContact CG1-CD2 3.91Å; V569-Y632 HydrophobicContact CG1-CG 4.48Å; I583-Y632 HydrophobicContact CD1-CD2 4.47Å; L591-Y632 HydrophobicContact CD1-CE2 4.41Å; V630-Y632 HydrophobicContact CB-CE2 4.06Å; V630-Y632 HydrophobicContact CG1-CD1 4.4Å; V630-Y632 HydrophobicContact CG1-CD2 3.87Å; V630-Y632 HydrophobicContact CG1-CE1 4.03Å; V630-Y632 HydrophobicContact CG1-CE2 3.45Å; V630-Y632 VanDerWaalsContact CG1-CE2 3.45Å; V630-Y632 HydrophobicContact CG1-CG 4.34Å

Retrieved 632 of 632 residues in 634.3 ms (Link to these results)

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