A0A087YP91_POEFO Loading...

Lysosome membrane protein 2-like

AlphaFold DB , UniProt , Accession A0A087YP91, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 481 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
1M44.3Very low73.1Confident238 Ų238110.2 Ų110.2100%1.17256%0.561SS**  0109.40-101.1176.2159.800109V3M1-V3 PolarHBondContact O-N 3.09Å; M1-V3 VanDerWaalsContact O-N 3.14Å
2L55.2Low74.4Confident180 Ų180102.2 Ų102.294%0.94253%0.527SS*.  trans-70.9102.2173.8-98.7128.3000108.9K4L2-K4 PolarHBondContact O-N 3.37Å
3V61Low75.8Confident55 Ų5599 Ų9933%0.33353%0.525SS..  trans-67.1120.4172.7-178.40000108M1 F7 K8M1-V3 PolarHBondContact O-N 3.09Å; M1-V3 VanDerWaalsContact O-N 3.14Å; V3-F7 HydrophobicContact CG1-CB 3.95Å; V3-F7 HydrophobicContact CG1-CD1 3.28Å; V3-F7 HydrophobicContact CG1-CE1 4.06Å; V3-F7 HydrophobicContact CG1-CG 3.93Å; V3-K8 HydrophobicContact CG1-CG 4.26Å
4K73.9Confident77Confident163 Ų16397.6 Ų97.671%0.70952%0.517SS*.  trans-54.1138.5-178.7-70.3-176.2177.7-179.90110.4L2 C6 F7L2-K4 PolarHBondContact O-N 3.37Å; K4-C6 PolarHBondContact O-N 3.16Å; K4-C6 VanDerWaalsContact O-N 3.16Å; K4-F7 WeakPolarHBondContact O-CB 3.46Å; K4-F7 PolarHBondContact O-N 3.28Å
5P70.4Confident78.2Confident84 Ų8491.7 Ų91.755%0.54549%0.487SS..Hα-helixtrans-56.6-35.6-177.218.5-29.8000113F7 K8 Y9P5-F7 VanDerWaalsContact C-N 3.31Å; P5-F7 PolarHBondContact O-N 3.05Å; P5-K8 PolarHBondContact O-N 2.89Å; P5-Y9 WeakPolarHBondContact O-CD2 3.46Å; P5-Y9 PolarHBondContact O-N 3.11Å
6C75.8Confident79.2Confident92 Ų9292.6 Ų92.662%0.62249%0.491SS*.Hα-helixtrans-57.3-40.8174.6-173.70000112.9K4 K8 Y9 V10K4-C6 PolarHBondContact O-N 3.16Å; K4-C6 VanDerWaalsContact O-N 3.16Å; C6-K8 VanDerWaalsContact C-N 3.27Å; C6-K8 PolarHBondContact O-N 3.1Å; C6-Y9 PolarHBondContact O-N 3.36Å; C6-V10 VanDerWaalsContact O-CG2 3.28Å; C6-V10 WeakPolarHBondContact O-CG2 3.32Å; C6-V10 PolarHBondContact O-N 3.18Å; C6-V10 VanDerWaalsContact O-N 3.07Å
7F80.4Confident80.1Confident122 Ų12293.1 Ų93.154%0.53549%0.493SS..Hα-helixtrans-63.6-33.3180-177-92.4000112.4V3 K4 P5 L11V3-F7 HydrophobicContact CG1-CB 3.95Å; V3-F7 HydrophobicContact CG1-CD1 3.28Å; V3-F7 HydrophobicContact CG1-CE1 4.06Å; V3-F7 HydrophobicContact CG1-CG 3.93Å; K4-F7 WeakPolarHBondContact O-CB 3.46Å; K4-F7 PolarHBondContact O-N 3.28Å; P5-F7 VanDerWaalsContact C-N 3.31Å; P5-F7 PolarHBondContact O-N 3.05Å; F7-L11 WeakPolarHBondContact O-CB 3.34Å; F7-L11 PolarHBondContact O-N 3.36Å; F7-L11 VanDerWaalsContact O-N 3.07Å
8K81Confident81Confident22 Ų2289.8 Ų89.810%0.09648%0.475CS..Hα-helixtrans-68.7-47178.8-57.3-174-176.2-170.80111.6V3 P5 C6 V10 L11 G12 F458 L461 Q465V3-K8 HydrophobicContact CG1-CG 4.26Å; P5-K8 PolarHBondContact O-N 2.89Å; C6-K8 VanDerWaalsContact C-N 3.27Å; C6-K8 PolarHBondContact O-N 3.1Å; K8-V10 VanDerWaalsContact C-N 3.33Å; K8-V10 PolarHBondContact O-N 3.34Å; K8-L11 WeakPolarHBondContact O-CB 3.35Å; K8-L11 PolarHBondContact O-N 2.86Å; K8-L11 VanDerWaalsContact O-N 3.16Å; K8-G12 PolarHBondContact O-N 3.46Å; K8-F458 HydrophobicContact CB-CE2 4.47Å; K8-F458 WeakPolarHBondContact O-CD2 3.27Å; K8-F458 VanDerWaalsContact O-CE2 3.24Å; K8-F458 WeakPolarHBondContact O-CE2 3.33Å; K8-L461 HydrophobicContact CD-CB 4.35Å; K8-L461 PolarHBondContact NZ-O 3.24Å; K8-Q465 VanDerWaalsContact NZ-CD 3.29Å
9Y84.9Confident81.8Confident146 Ų14687.3 Ų87.357%0.57346%0.462SS*.Hα-helixtrans-66.6-36178.8-66.6-69.9000112.3P5 C6 L11 G12 A13P5-Y9 WeakPolarHBondContact O-CD2 3.46Å; P5-Y9 PolarHBondContact O-N 3.11Å; C6-Y9 PolarHBondContact O-N 3.36Å; Y9-L11 VanDerWaalsContact C-N 3.31Å; Y9-L11 PolarHBondContact O-N 3.11Å; Y9-G12 PolarHBondContact O-N 3.14Å; Y9-A13 WeakPolarHBondContact O-CB 3.26Å; Y9-A13 PolarHBondContact O-N 3.46Å
10V87.6Confident82.5Confident87 Ų8787.9 Ų87.953%0.52746%0.464SS..Hα-helixtrans-60.5-41.5171.5171.70000111.1C6 K8 A13 L14C6-V10 VanDerWaalsContact O-CG2 3.28Å; C6-V10 WeakPolarHBondContact O-CG2 3.32Å; C6-V10 PolarHBondContact O-N 3.18Å; C6-V10 VanDerWaalsContact O-N 3.07Å; K8-V10 VanDerWaalsContact C-N 3.33Å; K8-V10 PolarHBondContact O-N 3.34Å; V10-A13 PolarHBondContact O-N 3.45Å; V10-L14 VanDerWaalsContact O-CB 3.3Å; V10-L14 WeakPolarHBondContact O-CB 3.44Å; V10-L14 PolarHBondContact O-N 3.07Å
11L89.4Confident83.1Confident23 Ų2386.8 Ų86.812%0.1246%0.461CS..Hα-helixtrans-63-44.4177-161.871.3000112.4F7 K8 Y9 L14 S15 L454 I457 F458 L461F7-L11 WeakPolarHBondContact O-CB 3.34Å; F7-L11 PolarHBondContact O-N 3.36Å; F7-L11 VanDerWaalsContact O-N 3.07Å; K8-L11 WeakPolarHBondContact O-CB 3.35Å; K8-L11 PolarHBondContact O-N 2.86Å; K8-L11 VanDerWaalsContact O-N 3.16Å; Y9-L11 VanDerWaalsContact C-N 3.31Å; Y9-L11 PolarHBondContact O-N 3.11Å; L11-L14 PolarHBondContact O-N 3.1Å; L11-S15 WeakPolarHBondContact O-CB 3.24Å; L11-S15 PolarHBondContact O-N 3.48Å; L11-L454 HydrophobicContact CD1-CD2 3.9Å; L11-I457 HydrophobicContact CD2-CB 4.27Å; L11-I457 HydrophobicContact CD2-CG2 3.74Å; L11-F458 HydrophobicContact CD2-CB 4.33Å; L11-L461 HydrophobicContact CD2-CD1 4.04Å
12G89.4Confident85.4Confident14 Ų1475.5 Ų75.514%0.14441%0.405CS..Hα-helixtrans-64.3-43.3176.300000112.6K8 Y9 S15 L16K8-G12 PolarHBondContact O-N 3.46Å; Y9-G12 PolarHBondContact O-N 3.14Å; G12-S15 PolarHBondContact O-N 3.33Å; G12-L16 PolarHBondContact O-N 3.32Å
13A91.7Very high87.3Confident61 Ų6171 Ų7150%0.50438%0.381SS..Hα-helixtrans-63.7-41.9175.800000112.1Y9 V10 L16 L17Y9-A13 WeakPolarHBondContact O-CB 3.26Å; Y9-A13 PolarHBondContact O-N 3.46Å; V10-A13 PolarHBondContact O-N 3.45Å; A13-L16 PolarHBondContact O-N 3.49Å; A13-L17 WeakPolarHBondContact O-CB 3.16Å; A13-L17 PolarHBondContact O-N 3.23Å
14L93.1Very high88.9Confident79 Ų7971.6 Ų71.641%0.41439%0.388SS..Hα-helixtrans-65-41176.9-174.867.1000112V10 L11 L17 M18 L454V10-L14 VanDerWaalsContact O-CB 3.3Å; V10-L14 WeakPolarHBondContact O-CB 3.44Å; V10-L14 PolarHBondContact O-N 3.07Å; L11-L14 PolarHBondContact O-N 3.1Å; L14-L17 PolarHBondContact O-N 2.92Å; L14-M18 HydrophobicContact CG-CE 4.41Å; L14-M18 WeakPolarHBondContact O-CG 3.3Å; L14-M18 PolarHBondContact O-N 3.24Å; L14-L454 HydrophobicContact CD2-CD1 3.92Å; L14-L454 HydrophobicContact CG-CD1 4.2Å
15S94.4Very high89.8Confident9 Ų966 Ų666%0.06337%0.366CS..Hα-helixtrans-58.8-51.1173.6170.10000111.2L11 G12 L17 M18 L19 G451 G455L11-S15 WeakPolarHBondContact O-CB 3.24Å; L11-S15 PolarHBondContact O-N 3.48Å; G12-S15 PolarHBondContact O-N 3.33Å; S15-L17 VanDerWaalsContact C-N 3.35Å; S15-L17 PolarHBondContact O-N 2.91Å; S15-M18 PolarHBondContact O-N 3.21Å; S15-L19 WeakPolarHBondContact O-CG 3.44Å; S15-L19 PolarHBondContact O-N 2.94Å; S15-G451 PolarHBondContact OG-O 3.45Å; S15-G455 VanDerWaalsContact OG-CA 3.24Å; S15-G455 WeakPolarHBondContact OG-CA 3.48Å; S15-G455 PolarHBondContact OG-N 2.83Å
16L94.6Very high90.8Very high106 Ų10664.3 Ų64.356%0.55535%0.354SS*.Hα-helixtrans-61.5-43179.4-175.663.6000111.7G12 A13 L19 I20G12-L16 PolarHBondContact O-N 3.32Å; A13-L16 PolarHBondContact O-N 3.49Å; L16-L19 PolarHBondContact O-N 3.44Å; L16-I20 HydrophobicContact CD1-CD1 4.22Å; L16-I20 HydrophobicContact CD1-CG1 4.49Å; L16-I20 HydrophobicContact CG-CD1 3.9Å; L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.09Å; L16-I20 PolarHBondContact O-N 3.36Å
17L95.2Very high91.6Very high102 Ų10266.6 Ų66.653%0.53436%0.359SS..Hα-helixtrans-60.9-45.9176.8-176.767.1000111.5A13 L14 S15 L19 I20 V21A13-L17 WeakPolarHBondContact O-CB 3.16Å; A13-L17 PolarHBondContact O-N 3.23Å; L14-L17 PolarHBondContact O-N 2.92Å; S15-L17 VanDerWaalsContact C-N 3.35Å; S15-L17 PolarHBondContact O-N 2.91Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.05Å; L17-I20 PolarHBondContact O-N 2.96Å; L17-V21 HydrophobicContact CD1-CG2 4.24Å; L17-V21 HydrophobicContact CG-CG2 4.36Å; L17-V21 WeakPolarHBondContact O-CB 3.46Å; L17-V21 VanDerWaalsContact O-CG2 3.26Å; L17-V21 WeakPolarHBondContact O-CG2 3.34Å; L17-V21 PolarHBondContact O-N 3.01Å
18M95.4Very high92.1Very high33 Ų3363.6 Ų63.616%0.16335%0.353CS..Hα-helixtrans-65.1-36.3178.3-76.5-149.7-78.800112.6L14 S15 G22 V447 L450 L454L14-M18 HydrophobicContact CG-CE 4.41Å; L14-M18 WeakPolarHBondContact O-CG 3.3Å; L14-M18 PolarHBondContact O-N 3.24Å; S15-M18 PolarHBondContact O-N 3.21Å; M18-G22 WeakPolarHBondContact O-CA 3.37Å; M18-G22 PolarHBondContact O-N 3.27Å; M18-V447 HydrophobicContact CB-CG1 4.06Å; M18-V447 HydrophobicContact CG-CG1 4.29Å; M18-V447 HydrophobicContact SD-CG1 4.25Å; M18-L450 HydrophobicContact CE-CB 4.19Å; M18-L450 HydrophobicContact CE-CD2 3.61Å; M18-L450 HydrophobicContact CE-CG 3.64Å; M18-L450 HydrophobicContact SD-CD2 3.92Å; M18-L450 HydrophobicContact SD-CG 4.39Å; M18-L454 HydrophobicContact CE-CD1 3.26Å; M18-L454 HydrophobicContact CE-CG 4.28Å
19L95.8Very high92.6Very high43 Ų4368.9 Ų68.923%0.22538%0.376CS..Hα-helixtrans-64.5-47.2173.8-70169.1000111.4S15 L16 L17 G22 I23 I448 I452S15-L19 WeakPolarHBondContact O-CG 3.44Å; S15-L19 PolarHBondContact O-N 2.94Å; L16-L19 PolarHBondContact O-N 3.44Å; L17-L19 VanDerWaalsContact C-N 3.33Å; L17-L19 PolarHBondContact O-N 3.05Å; L19-G22 PolarHBondContact O-N 3.44Å; L19-I23 WeakPolarHBondContact O-CB 3.24Å; L19-I23 WeakPolarHBondContact O-CD1 3.33Å; L19-I23 WeakPolarHBondContact O-CG1 3.43Å; L19-I23 PolarHBondContact O-N 3.19Å; L19-I448 HydrophobicContact CD2-CG2 4.08Å; L19-I452 HydrophobicContact CD2-CG1 3.86Å
20I95.6Very high92.8Very high99 Ų9963.6 Ų63.651%0.50836%0.363SS..Hα-helixtrans-61.1-48.5178.3-68.1167.3000110.6L16 L17 S24L16-I20 HydrophobicContact CD1-CD1 4.22Å; L16-I20 HydrophobicContact CD1-CG1 4.49Å; L16-I20 HydrophobicContact CG-CD1 3.9Å; L16-I20 VanDerWaalsContact O-CG1 3.28Å; L16-I20 WeakPolarHBondContact O-CG1 3.09Å; L16-I20 PolarHBondContact O-N 3.36Å; L17-I20 PolarHBondContact O-N 2.96Å; I20-S24 WeakPolarHBondContact O-CB 3.49Å; I20-S24 PolarHBondContact O-N 2.88Å
21V95.3Very high92.9Very high65 Ų6561.9 Ų61.939%0.39435%0.348SS..Hα-helixtrans-63.4-47.8179.3170.50000110.7L17 S24 L25L17-V21 HydrophobicContact CD1-CG2 4.24Å; L17-V21 HydrophobicContact CG-CG2 4.36Å; L17-V21 WeakPolarHBondContact O-CB 3.46Å; L17-V21 VanDerWaalsContact O-CG2 3.26Å; L17-V21 WeakPolarHBondContact O-CG2 3.34Å; L17-V21 PolarHBondContact O-N 3.01Å; V21-S24 PolarHBondContact O-N 3.16Å; V21-L25 HydrophobicContact CG1-CD1 3.7Å; V21-L25 HydrophobicContact CG1-CG 4.28Å; V21-L25 WeakPolarHBondContact O-CB 3.46Å; V21-L25 WeakPolarHBondContact O-CG 3.33Å; V21-L25 PolarHBondContact O-N 2.87Å
22G94Very high92.9Very high0 Ų062.3 Ų62.30%035%0.352CS..Hα-helixtrans-59.9-48.5179.400000112.6M18 L19 L25 V26M18-G22 WeakPolarHBondContact O-CA 3.37Å; M18-G22 PolarHBondContact O-N 3.27Å; L19-G22 PolarHBondContact O-N 3.44Å; G22-L25 PolarHBondContact O-N 3.42Å; G22-V26 WeakPolarHBondContact O-CG2 3.28Å; G22-V26 PolarHBondContact O-N 3.07Å
23I93.9Very high93Very high85 Ų8565.6 Ų65.644%0.43637%0.367SS..Hα-helixtrans-63.1-43.9176.8-67166.8000110.7L19 L25 V26 L27 I448L19-I23 WeakPolarHBondContact O-CB 3.24Å; L19-I23 WeakPolarHBondContact O-CD1 3.33Å; L19-I23 WeakPolarHBondContact O-CG1 3.43Å; L19-I23 PolarHBondContact O-N 3.19Å; I23-L25 VanDerWaalsContact C-N 3.33Å; I23-L25 PolarHBondContact O-N 3.33Å; I23-V26 PolarHBondContact O-N 2.97Å; I23-L27 HydrophobicContact CG2-CD1 3.74Å; I23-L27 HydrophobicContact CG2-CG 4.14Å; I23-L27 WeakPolarHBondContact O-CB 3.41Å; I23-L27 WeakPolarHBondContact O-CG 3.42Å; I23-L27 PolarHBondContact O-N 3.37Å; I23-I448 HydrophobicContact CG1-CD1 4.2Å; I23-I448 HydrophobicContact CG1-CG1 4.5Å
24S94.4Very high93Very high69 Ų6969.2 Ų69.248%0.48337%0.371SS..Hα-helixtrans-59.6-42.4176.5-177.40000112.1I20 V21 L27 S28I20-S24 WeakPolarHBondContact O-CB 3.49Å; I20-S24 PolarHBondContact O-N 2.88Å; V21-S24 PolarHBondContact O-N 3.16Å; S24-L27 PolarHBondContact O-N 3.19Å; S24-S28 VanDerWaalsContact O-CB 3.26Å; S24-S28 WeakPolarHBondContact O-CB 3.35Å; S24-S28 PolarHBondContact O-N 2.97Å; S24-S28 PolarHBondContact O-OG 3.05Å
25L93.7Very high92.9Very high46 Ų4666.8 Ų66.824%0.24136%0.358CS..Hα-helixtrans-65.3-37.5176.5-71.9168.1000112.6V21 G22 I23 S28 K29 A30 F31 P444V21-L25 HydrophobicContact CG1-CD1 3.7Å; V21-L25 HydrophobicContact CG1-CG 4.28Å; V21-L25 WeakPolarHBondContact O-CB 3.46Å; V21-L25 WeakPolarHBondContact O-CG 3.33Å; V21-L25 PolarHBondContact O-N 2.87Å; G22-L25 PolarHBondContact O-N 3.42Å; I23-L25 VanDerWaalsContact C-N 3.33Å; I23-L25 PolarHBondContact O-N 3.33Å; L25-S28 WeakPolarHBondContact CA-OG 3.4Å; L25-S28 PolarHBondContact O-OG 3.35Å; L25-K29 PolarHBondContact O-N 3.16Å; L25-A30 HydrophobicContact CD2-CB 3.79Å; L25-A30 PolarHBondContact O-N 3.42Å; L25-F31 HydrophobicContact CD1-CE2 4.2Å; L25-F31 HydrophobicContact CD2-CE2 4.39Å; L25-P444 HydrophobicContact CB-CB 4Å; L25-P444 HydrophobicContact CB-CG 3.94Å
26V92.1Very high92.8Very high48 Ų4869.2 Ų69.229%0.29137%0.369SS..Hα-helixtrans-66.6-51.5174.21730000110.6G22 I23 S28 K29 P444 F445 I448G22-V26 WeakPolarHBondContact O-CG2 3.28Å; G22-V26 PolarHBondContact O-N 3.07Å; I23-V26 PolarHBondContact O-N 2.97Å; V26-S28 VanDerWaalsContact C-N 3.32Å; V26-S28 PolarHBondContact O-N 2.67Å; V26-K29 PolarHBondContact O-N 3.47Å; V26-K29 VanDerWaalsContact O-N 3.07Å; V26-P444 HydrophobicContact CG2-CB 3.5Å; V26-P444 HydrophobicContact CG2-CG 4.48Å; V26-F445 HydrophobicContact CG1-CE1 4.37Å; V26-F445 HydrophobicContact CG1-CZ 4.26Å; V26-F445 HydrophobicContact CG2-CD1 4.31Å; V26-F445 HydrophobicContact CG2-CE1 3.92Å; V26-F445 HydrophobicContact CG2-CZ 4.09Å; V26-I448 HydrophobicContact CG2-CD1 3.97Å
27L91.4Very high92.7Very high140 Ų14066.6 Ų66.673%0.73336%0.36SS*.Hα-helixtrans-63.6-37.8-177-69.4177.2000112.2I23 S24 K29I23-L27 HydrophobicContact CG2-CD1 3.74Å; I23-L27 HydrophobicContact CG2-CG 4.14Å; I23-L27 WeakPolarHBondContact O-CB 3.41Å; I23-L27 WeakPolarHBondContact O-CG 3.42Å; I23-L27 PolarHBondContact O-N 3.37Å; S24-L27 PolarHBondContact O-N 3.19Å; L27-K29 VanDerWaalsContact C-N 3.27Å; L27-K29 PolarHBondContact O-N 3.07Å
28S91.3Very high92.6Very high59 Ų5967.1 Ų67.141%0.41336%0.357SS..THydrogen-bonded Turntrans-76.5-10.5176.359.90000114.1S24 L25 V26 A30 N33S24-S28 VanDerWaalsContact O-CB 3.26Å; S24-S28 WeakPolarHBondContact O-CB 3.35Å; S24-S28 PolarHBondContact O-N 2.97Å; S24-S28 PolarHBondContact O-OG 3.05Å; L25-S28 WeakPolarHBondContact CA-OG 3.4Å; L25-S28 PolarHBondContact O-OG 3.35Å; V26-S28 VanDerWaalsContact C-N 3.32Å; V26-S28 PolarHBondContact O-N 2.67Å; S28-A30 PolarHBondContact O-N 2.95Å; S28-N33 PolarHBondContact O-ND2 3.45Å
29K91.1Very high92.5Very high132 Ų13266.3 Ų66.357%0.57435%0.354SS*.THydrogen-bonded Turntrans50.337.1-171.4-59-176178.6-178.70112.5L25 V26 L27 F31 P32 N33L25-K29 PolarHBondContact O-N 3.16Å; V26-K29 PolarHBondContact O-N 3.47Å; V26-K29 VanDerWaalsContact O-N 3.07Å; L27-K29 VanDerWaalsContact C-N 3.27Å; L27-K29 PolarHBondContact O-N 3.07Å; K29-F31 PolarHBondContact O-N 3.07Å; K29-P32 HydrophobicContact CB-CB 4.49Å; K29-P32 HydrophobicContact CB-CG 4.41Å; K29-P32 WeakPolarHBondContact O-CD 3.21Å; K29-N33 VanDerWaalsContact O-CB 3.28Å; K29-N33 WeakPolarHBondContact O-CB 3.34Å; K29-N33 PolarHBondContact O-N 3.02Å; K29-N33 PolarHBondContact O-ND2 3.31Å
30A90.1Very high92.4Very high36 Ų3667.6 Ų67.630%0.29836%0.358SS..Hα-helixtrans-55.8-49.4-171.100000113.2L25 S28 F34L25-A30 HydrophobicContact CD2-CB 3.79Å; L25-A30 PolarHBondContact O-N 3.42Å; S28-A30 PolarHBondContact O-N 2.95Å; A30-F34 WeakPolarHBondContact O-CB 3.42Å; A30-F34 PolarHBondContact O-N 3.48Å
31F89.9Confident92.2Very high51 Ų5170 Ų7022%0.22437%0.365CS..Hα-helixtrans-70.5-47.5-179.5-73.4-76.9000113.9L25 K29 N33 F34 L35 V440 I443 P444L25-F31 HydrophobicContact CD1-CE2 4.2Å; L25-F31 HydrophobicContact CD2-CE2 4.39Å; K29-F31 PolarHBondContact O-N 3.07Å; F31-N33 VanDerWaalsContact C-N 3.29Å; F31-N33 PolarHBondContact O-N 3.37Å; F31-F34 PolarHBondContact O-N 3.3Å; F31-L35 WeakPolarHBondContact O-CB 3.28Å; F31-L35 PolarHBondContact O-N 2.97Å; F31-V440 HydrophobicContact CB-CG1 4.05Å; F31-V440 WeakPolarHBondContact CB-O 3.43Å; F31-V440 HydrophobicContact CD1-CG1 3.64Å; F31-V440 HydrophobicContact CG-CG1 4.22Å; F31-V440 WeakPolarHBondContact CG-O 3.35Å; F31-I443 HydrophobicContact CD1-CD1 4.46Å; F31-I443 HydrophobicContact CD2-CB 4.46Å; F31-I443 HydrophobicContact CE1-CD1 3.92Å; F31-I443 HydrophobicContact CE2-CB 4.01Å; F31-I443 HydrophobicContact CE2-CG2 3.83Å; F31-I443 HydrophobicContact CZ-CB 4.06Å; F31-I443 HydrophobicContact CZ-CD1 4.12Å; F31-I443 HydrophobicContact CZ-CG2 3.72Å; F31-P444 HydrophobicContact CD2-CG 3.5Å; F31-P444 VanDerWaalsContact CD2-CG 3.5Å; F31-P444 HydrophobicContact CE2-CG 3.87Å
32P89.1Confident92Very high32 Ų3271 Ų7121%0.20837%0.368CS..Hα-helixtrans-53.5-45171.1-27.632.3000113K29 L35 Q36 E441K29-P32 HydrophobicContact CB-CB 4.49Å; K29-P32 HydrophobicContact CB-CG 4.41Å; K29-P32 WeakPolarHBondContact O-CD 3.21Å; P32-L35 PolarHBondContact O-N 3.23Å; P32-Q36 WeakPolarHBondContact O-CB 3.3Å; P32-Q36 VanDerWaalsContact O-CG 3.31Å; P32-Q36 WeakPolarHBondContact O-CG 3.48Å; P32-Q36 PolarHBondContact O-N 3.08Å; P32-E441 HydrophobicContact CG-CG 4.15Å
33N91.6Very high92.1Very high83 Ų8372 Ų7244%0.44437%0.374SS..Hα-helixtrans-66.2-40.3179.5-71.2-19000112.2S28 K29 F31 S37S28-N33 PolarHBondContact O-ND2 3.45Å; K29-N33 VanDerWaalsContact O-CB 3.28Å; K29-N33 WeakPolarHBondContact O-CB 3.34Å; K29-N33 PolarHBondContact O-N 3.02Å; K29-N33 PolarHBondContact O-ND2 3.31Å; F31-N33 VanDerWaalsContact C-N 3.29Å; F31-N33 PolarHBondContact O-N 3.37Å; N33-S37 VanDerWaalsContact O-CB 3.31Å; N33-S37 WeakPolarHBondContact O-CB 3.35Å; N33-S37 PolarHBondContact O-N 2.92Å
34F91.4Very high92.2Very high137 Ų13768.2 Ų68.260%0.60136%0.355SS*.Hα-helixtrans-61.6-49175173.4-99.7000111.6A30 F31 S37 K38A30-F34 WeakPolarHBondContact O-CB 3.42Å; A30-F34 PolarHBondContact O-N 3.48Å; F31-F34 PolarHBondContact O-N 3.3Å; F34-S37 PolarHBondContact O-N 3Å; F34-K38 PolarHBondContact O-N 3.46Å
35L90.3Very high92.3Very high27 Ų2765 Ų6514%0.14133%0.332CS..Hα-helixtrans-60.5-49.2178.9-179.168.8000111F31 P32 S37 K38 V39 L377 K437F31-L35 WeakPolarHBondContact O-CB 3.28Å; F31-L35 PolarHBondContact O-N 2.97Å; P32-L35 PolarHBondContact O-N 3.23Å; L35-S37 VanDerWaalsContact C-N 3.32Å; L35-S37 PolarHBondContact O-N 3.45Å; L35-K38 WeakPolarHBondContact O-CB 3.37Å; L35-K38 PolarHBondContact O-N 2.88Å; L35-K38 VanDerWaalsContact O-N 3.09Å; L35-V39 WeakPolarHBondContact O-CG2 3.47Å; L35-V39 PolarHBondContact O-N 2.91Å; L35-L377 HydrophobicContact CD2-CD2 4.23Å; L35-K437 HydrophobicContact CD2-CB 3.7Å; L35-K437 HydrophobicContact CD2-CD 4.12Å; L35-K437 HydrophobicContact CD2-CG 3.48Å; L35-K437 VanDerWaalsContact CD2-CG 3.48Å
36Q92.3Very high92.4Very high61 Ų6169.2 Ų69.229%0.28535%0.345SS..Hα-helixtrans-58.4-43.9175.6-76.9-174.517.400111.7P32 K38 V39 K40 I261P32-Q36 WeakPolarHBondContact O-CB 3.3Å; P32-Q36 VanDerWaalsContact O-CG 3.31Å; P32-Q36 WeakPolarHBondContact O-CG 3.48Å; P32-Q36 PolarHBondContact O-N 3.08Å; Q36-K38 PolarHBondContact O-N 3.4Å; Q36-V39 PolarHBondContact O-N 3.44Å; Q36-K40 VanDerWaalsContact O-CG 3.24Å; Q36-K40 WeakPolarHBondContact O-CG 3.4Å; Q36-K40 PolarHBondContact O-N 2.9Å; Q36-I261 HydrophobicContact CB-CD1 3.63Å; Q36-I261 HydrophobicContact CB-CG1 4.46Å; Q36-I261 HydrophobicContact CG-CD1 3.82Å; Q36-I261 HydrophobicContact CG-CG1 4.14Å; Q36-I261 HydrophobicContact CG-CG2 4.28Å
37S93.1Very high92.4Very high51 Ų5172.2 Ų72.236%0.35736%0.359SS..Hα-helixtrans-62.8-32.3176.7-177.40000112.7N33 F34 L35 K41N33-S37 VanDerWaalsContact O-CB 3.31Å; N33-S37 WeakPolarHBondContact O-CB 3.35Å; N33-S37 PolarHBondContact O-N 2.92Å; F34-S37 PolarHBondContact O-N 3Å; L35-S37 VanDerWaalsContact C-N 3.32Å; L35-S37 PolarHBondContact O-N 3.45Å; S37-K41 WeakPolarHBondContact O-CG 3.47Å; S37-K41 PolarHBondContact O-N 2.92Å
38K92.2Very high92.4Very high113 Ų11369 Ų6949%0.49136%0.359SS..Hα-helixtrans-70.6-49.1175.1-177.1167.8-176.4172.40110.8F34 L35 Q36 K40 K41 D42F34-K38 PolarHBondContact O-N 3.46Å; L35-K38 WeakPolarHBondContact O-CB 3.37Å; L35-K38 PolarHBondContact O-N 2.88Å; L35-K38 VanDerWaalsContact O-N 3.09Å; Q36-K38 PolarHBondContact O-N 3.4Å; K38-K40 VanDerWaalsContact C-N 3.33Å; K38-K40 PolarHBondContact O-N 3.45Å; K38-K41 WeakPolarHBondContact O-CB 3.49Å; K38-K41 PolarHBondContact O-N 2.95Å; K38-D42 WeakPolarHBondContact CE-OD2 3.21Å; K38-D42 VanDerWaalsContact CG-OD2 3.28Å; K38-D42 WeakPolarHBondContact CG-OD2 3.28Å; K38-D42 PolarHBondContact O-N 3.31Å
39V93.3Very high92.5Very high15 Ų1566.8 Ų66.89%0.09134%0.344CS..Hα-helixtrans-59.4-41.9177.7176.70000111.8L35 Q36 K41 D42 V43 P260 L377L35-V39 WeakPolarHBondContact O-CG2 3.47Å; L35-V39 PolarHBondContact O-N 2.91Å; Q36-V39 PolarHBondContact O-N 3.44Å; V39-K41 PolarHBondContact O-N 3.32Å; V39-D42 PolarHBondContact O-N 2.98Å; V39-V43 HydrophobicContact CG1-CG2 3.79Å; V39-V43 WeakPolarHBondContact O-CB 3.41Å; V39-V43 WeakPolarHBondContact O-CG2 3.38Å; V39-V43 PolarHBondContact O-N 3.27Å; V39-P260 HydrophobicContact CG1-CB 3.72Å; V39-L377 HydrophobicContact CB-CD1 4.44Å; V39-L377 HydrophobicContact CG1-CD1 4.49Å; V39-L377 HydrophobicContact CG1-CG 4.45Å; V39-L377 WeakPolarHBondContact CG1-O 3.37Å; V39-L377 HydrophobicContact CG2-CD1 3.94Å; V39-L377 HydrophobicContact CG2-CD2 4.19Å; V39-L377 HydrophobicContact CG2-CG 4.02Å
40K94.3Very high92.5Very high71 Ų7164.9 Ų64.931%0.30934%0.337SS..Hα-helixtrans-58.4-27.6174.6-71.3174-171.9179.50113.7Q36 K38 Y224 I261Q36-K40 VanDerWaalsContact O-CG 3.24Å; Q36-K40 WeakPolarHBondContact O-CG 3.4Å; Q36-K40 PolarHBondContact O-N 2.9Å; K38-K40 VanDerWaalsContact C-N 3.33Å; K38-K40 PolarHBondContact O-N 3.45Å; K40-Y224 HydrophobicContact CB-CD1 4.48Å; K40-Y224 HydrophobicContact CB-CG 4.3Å; K40-Y224 HydrophobicContact CD-CD1 3.68Å; K40-Y224 HydrophobicContact CD-CE1 3.81Å; K40-Y224 HydrophobicContact CD-CG 4.09Å; K40-Y224 HydrophobicContact CG-CD1 3.83Å; K40-Y224 HydrophobicContact CG-CD2 4.08Å; K40-Y224 HydrophobicContact CG-CE1 4.31Å; K40-Y224 HydrophobicContact CG-CG 3.69Å; K40-I261 HydrophobicContact CD-CD1 3.9Å; K40-I261 HydrophobicContact CG-CD1 3.44Å; K40-I261 VanDerWaalsContact CG-CD1 3.44Å
41K91.8Very high92.6Very high149 Ų14964.1 Ų64.165%0.64833%0.331SS*.Hα-helixtrans-90-32.8179.5-71.6176.7-179.9-178.70112.3S37 K38 V39S37-K41 WeakPolarHBondContact O-CG 3.47Å; S37-K41 PolarHBondContact O-N 2.92Å; K38-K41 WeakPolarHBondContact O-CB 3.49Å; K38-K41 PolarHBondContact O-N 2.95Å; V39-K41 PolarHBondContact O-N 3.32Å
42D91.9Very high92.9Very high87 Ų8762.7 Ų62.747%0.46532%0.324SS..Hα-helixtrans-84.9-30.5-175.9-66.5-11.1000112.1K38 V39 V44K38-D42 WeakPolarHBondContact CE-OD2 3.21Å; K38-D42 VanDerWaalsContact CG-OD2 3.28Å; K38-D42 WeakPolarHBondContact CG-OD2 3.28Å; K38-D42 PolarHBondContact O-N 3.31Å; V39-D42 PolarHBondContact O-N 2.98Å; D42-V44 PolarHBondContact O-N 3.46Å
43V94.9Very high93.1Very high19 Ų1967 Ų6712%0.11534%0.342CS..SBendtrans-89.385.1175.8-177.10000109.5V39 A51 F227 P260V39-V43 HydrophobicContact CG1-CG2 3.79Å; V39-V43 WeakPolarHBondContact O-CB 3.41Å; V39-V43 WeakPolarHBondContact O-CG2 3.38Å; V39-V43 PolarHBondContact O-N 3.27Å; V43-A51 HydrophobicContact CG1-CB 4.24Å; V43-F227 HydrophobicContact CG1-CD1 4.41Å; V43-F227 HydrophobicContact CG1-CD2 3.84Å; V43-F227 HydrophobicContact CG1-CE1 4.31Å; V43-F227 HydrophobicContact CG1-CE2 3.72Å; V43-F227 HydrophobicContact CG1-CG 4.19Å; V43-F227 HydrophobicContact CG1-CZ 3.97Å; V43-P260 HydrophobicContact CB-CB 4.23Å; V43-P260 HydrophobicContact CB-CG 3.95Å; V43-P260 HydrophobicContact CG1-CB 4.26Å; V43-P260 HydrophobicContact CG1-CG 4.01Å; V43-P260 HydrophobicContact CG2-CB 4.26Å
44V96.6Very high93.2Very high7 Ų765.3 Ų65.34%0.04233%0.334CS..SBendtrans-145.5143.3178.5610000108.6D42 R46 T49 T219 Q221D42-V44 PolarHBondContact O-N 3.46Å; V44-R46 HydrophobicContact CG1-CB 4.14Å; V44-R46 PolarHBondContact O-N 3.43Å; V44-T49 HydrophobicContact CG1-CG2 3.99Å; V44-T49 PolarHBondContact O-OG1 2.92Å; V44-T219 WeakPolarHBondContact CG2-O 3.44Å; V44-Q221 HydrophobicContact CG2-CB 3.79Å
45L96.4Very high93.3Very high0 Ų059.4 Ų59.40%031%0.308CS..SBendtrans-75.394.5172.7-56.8-179000108.8F52 W55 F104 V111 T219 F227 A228L45-F52 HydrophobicContact CB-CD2 4.23Å; L45-F52 HydrophobicContact CD2-CD2 4.49Å; L45-W55 HydrophobicContact CD1-CD2 4.15Å; L45-W55 HydrophobicContact CD1-CG 4.38Å; L45-W55 HydrophobicContact CD1-CZ2 4.42Å; L45-W55 HydrophobicContact CD2-CB 3.64Å; L45-W55 HydrophobicContact CD2-CD2 3.87Å; L45-W55 HydrophobicContact CD2-CE3 4.36Å; L45-W55 HydrophobicContact CD2-CG 3.51Å; L45-F104 VanDerWaalsContact O-CE1 3.32Å; L45-F104 WeakPolarHBondContact O-CE1 3.26Å; L45-V111 HydrophobicContact CB-CG1 4.49Å; L45-V111 HydrophobicContact CD1-CG1 3.81Å; L45-T219 HydrophobicContact CB-CG2 3.98Å; L45-T219 PolarHBondContact N-O 2.72Å; L45-T219 WeakPolarHBondContact O-CB 3.33Å; L45-T219 WeakPolarHBondContact O-CG2 3.47Å; L45-F227 HydrophobicContact CD2-CE2 3.59Å; L45-F227 HydrophobicContact CD2-CZ 3.73Å; L45-F227 HydrophobicContact CG-CD2 4.31Å; L45-F227 HydrophobicContact CG-CE2 3.84Å; L45-F227 HydrophobicContact CG-CZ 4.35Å; L45-A228 HydrophobicContact CD1-CB 4.38Å
46R94.7Very high93.6Very high136 Ų13659.9 Ų59.951%0.51331%0.312SS..  trans-149.4139.9176.8-173.6-179.968.1-178.5-2.2110.3V44 G48 T49 F52V44-R46 HydrophobicContact CG1-CB 4.14Å; V44-R46 PolarHBondContact O-N 3.43Å; R46-G48 PolarHBondContact O-N 2.95Å; R46-T49 HydrophobicContact CB-CG2 4.09Å; R46-T49 WeakPolarHBondContact O-CB 3.17Å; R46-T49 PolarHBondContact O-N 3.45Å; R46-T49 PolarHBondContact O-OG1 3.4Å; R46-F52 VanDerWaalsContact O-CB 3.26Å; R46-F52 WeakPolarHBondContact O-CB 3.29Å
47N92.8Very high93.7Very high110 Ų11061.9 Ų61.959%0.58833%0.325SS*.THydrogen-bonded Turntrans-48131.9174.6-72.5-16.7000112T49 F52 F104N47-T49 VanDerWaalsContact C-N 3.34Å; N47-F52 WeakPolarHBondContact OD1-CE1 3.45Å; N47-F52 WeakPolarHBondContact OD1-CZ 3.42Å; N47-F104 WeakPolarHBondContact OD1-CE2 3.46Å
48G90.5Very high93.6Very high72 Ų7261.5 Ų61.574%0.74232%0.321SS*.THydrogen-bonded Turntrans82.41.6-178.800000115.4R46R46-G48 PolarHBondContact O-N 2.95Å
49T93.4Very high93.5Very high14 Ų1459.5 Ų59.59%0.08632%0.32CS..  trans-92.1143.4168.264.70000110.5V44 R46 N47 A51 F52 E53V44-T49 HydrophobicContact CG1-CG2 3.99Å; V44-T49 PolarHBondContact O-OG1 2.92Å; R46-T49 HydrophobicContact CB-CG2 4.09Å; R46-T49 WeakPolarHBondContact O-CB 3.17Å; R46-T49 PolarHBondContact O-N 3.45Å; R46-T49 PolarHBondContact O-OG1 3.4Å; N47-T49 VanDerWaalsContact C-N 3.34Å; T49-A51 VanDerWaalsContact C-N 3.28Å; T49-A51 PolarHBondContact O-N 3.41Å; T49-F52 PolarHBondContact O-N 3.36Å; T49-F52 VanDerWaalsContact OG1-CB 3.23Å; T49-F52 WeakPolarHBondContact OG1-CB 3.46Å; T49-F52 PolarHBondContact OG1-N 2.85Å; T49-E53 PolarHBondContact O-N 2.92Å; T49-E53 VanDerWaalsContact O-N 3.17Å
50E91.5Very high93.5Very high92 Ų9259.5 Ų59.543%0.4332%0.321SS..Hα-helixtrans-61.8-36.8175.7175.2176.3-178.100112.3F52 E53 V54 K429E50-F52 PolarHBondContact O-N 2.93Å; E50-E53 PolarHBondContact O-N 3.46Å; E50-V54 HydrophobicContact CG-CG2 4.33Å; E50-V54 WeakPolarHBondContact O-CG2 3.45Å; E50-V54 PolarHBondContact O-N 3.02Å; E50-K429 VanDerWaalsContact CD-CE 3.4Å; E50-K429 VanDerWaalsContact OE1-CD 3.29Å; E50-K429 WeakPolarHBondContact OE1-CD 3.34Å; E50-K429 WeakPolarHBondContact OE1-CE 3.28Å; E50-K429 IonicContact OE1-NZ 3.57Å; E50-K429 PolarHBondContact OE1-NZ 2.78Å; E50-K429 WeakPolarHBondContact OE2-CE 3.48Å; E50-K429 IonicContact OE2-NZ 2.75Å; E50-K429 PolarHBondContact OE2-NZ 3.06Å
51A93Very high93.5Very high20 Ų2058 Ų5817%0.16532%0.318CS..Hα-helixtrans-60.4-37.6177.700000111.8V43 T49 W55 F227V43-A51 HydrophobicContact CG1-CB 4.24Å; T49-A51 VanDerWaalsContact C-N 3.28Å; T49-A51 PolarHBondContact O-N 3.41Å; A51-W55 WeakPolarHBondContact O-CB 3.26Å; A51-W55 PolarHBondContact O-N 2.81Å; A51-F227 HydrophobicContact CB-CE2 4.15Å; A51-F227 HydrophobicContact CB-CZ 4.26Å
52F95.5Very high93.7Very high21 Ų2151.2 Ų51.29%0.09229%0.289CS..Hα-helixtrans-69.8-43.8175179.7-108000112.3L45 R46 N47 T49 E50 V54 W55 V56 V102 F104L45-F52 HydrophobicContact CB-CD2 4.23Å; L45-F52 HydrophobicContact CD2-CD2 4.49Å; R46-F52 VanDerWaalsContact O-CB 3.26Å; R46-F52 WeakPolarHBondContact O-CB 3.29Å; N47-F52 WeakPolarHBondContact OD1-CE1 3.45Å; N47-F52 WeakPolarHBondContact OD1-CZ 3.42Å; T49-F52 PolarHBondContact O-N 3.36Å; T49-F52 VanDerWaalsContact OG1-CB 3.23Å; T49-F52 WeakPolarHBondContact OG1-CB 3.46Å; T49-F52 PolarHBondContact OG1-N 2.85Å; E50-F52 PolarHBondContact O-N 2.93Å; F52-V54 VanDerWaalsContact C-N 3.35Å; F52-V54 PolarHBondContact O-N 3.3Å; F52-W55 HydrophobicContact CD2-CE3 4.08Å; F52-W55 HydrophobicContact CD2-CZ3 4.5Å; F52-W55 HydrophobicContact CE2-CE3 4.02Å; F52-W55 HydrophobicContact CE2-CZ3 4.01Å; F52-W55 PolarHBondContact O-N 2.87Å; F52-V56 HydrophobicContact CD1-CG2 4.33Å; F52-V56 HydrophobicContact CD2-CG2 4.17Å; F52-V56 HydrophobicContact CE1-CG2 3.91Å; F52-V56 HydrophobicContact CE2-CG2 3.74Å; F52-V56 HydrophobicContact CG-CG2 4.46Å; F52-V56 HydrophobicContact CZ-CG2 3.61Å; F52-V56 WeakPolarHBondContact O-CG2 3.42Å; F52-V56 PolarHBondContact O-N 3.43Å; F52-V102 HydrophobicContact CE2-CG1 3.88Å; F52-V102 HydrophobicContact CZ-CG1 3.83Å; F52-F104 AromaticContact CD2-CZ 3.95Å; F52-F104 HydrophobicContact CD2-CZ 3.95Å; F52-F104 HydrophobicContact CE2-CE1 4.42Å; F52-F104 AromaticContact CE2-CE2 3.95Å; F52-F104 HydrophobicContact CE2-CE2 3.95Å; F52-F104 AromaticContact CE2-CZ 3.43Å; F52-F104 HydrophobicContact CE2-CZ 3.43Å; F52-F104 VanDerWaalsContact CE2-CZ 3.43Å; F52-F104 AromaticContact CZ-CE2 3.81Å; F52-F104 HydrophobicContact CZ-CE2 3.81Å; F52-F104 AromaticContact CZ-CZ 3.75Å; F52-F104 HydrophobicContact CZ-CZ 3.75Å
53E93.9Very high94Very high122 Ų12249.9 Ų49.957%0.5728%0.278SS*.Hα-helixtrans-58.5-46.4177.1-69.2174-176.600111.7T49 E50 V56 D57T49-E53 PolarHBondContact O-N 2.92Å; T49-E53 VanDerWaalsContact O-N 3.17Å; E50-E53 PolarHBondContact O-N 3.46Å; E53-V56 PolarHBondContact O-N 3.29Å; E53-D57 PolarHBondContact O-N 2.99Å
54V92.6Very high94.2Very high47 Ų4749.2 Ų49.229%0.28527%0.274SS..Hα-helixtrans-68.2-34.6177.6173.40000112.1E50 F52 D57 P58E50-V54 HydrophobicContact CG-CG2 4.33Å; E50-V54 WeakPolarHBondContact O-CG2 3.45Å; E50-V54 PolarHBondContact O-N 3.02Å; F52-V54 VanDerWaalsContact C-N 3.35Å; F52-V54 PolarHBondContact O-N 3.3Å; V54-D57 CarbonylContact O-C 3.59Å; V54-P58 WeakPolarHBondContact O-CA 3.47Å; V54-P58 WeakPolarHBondContact O-CG 3.36Å
55W94.9Very high94.3Very high13 Ų1350.3 Ų50.35%0.04928%0.279CS..Hα-helixtrans-68.6-37.6175.6175.488.2000111.8L45 A51 F52 M99 V102 V111 F217L45-W55 HydrophobicContact CD1-CD2 4.15Å; L45-W55 HydrophobicContact CD1-CG 4.38Å; L45-W55 HydrophobicContact CD1-CZ2 4.42Å; L45-W55 HydrophobicContact CD2-CB 3.64Å; L45-W55 HydrophobicContact CD2-CD2 3.87Å; L45-W55 HydrophobicContact CD2-CE3 4.36Å; L45-W55 HydrophobicContact CD2-CG 3.51Å; A51-W55 WeakPolarHBondContact O-CB 3.26Å; A51-W55 PolarHBondContact O-N 2.81Å; F52-W55 HydrophobicContact CD2-CE3 4.08Å; F52-W55 HydrophobicContact CD2-CZ3 4.5Å; F52-W55 HydrophobicContact CE2-CE3 4.02Å; F52-W55 HydrophobicContact CE2-CZ3 4.01Å; F52-W55 PolarHBondContact O-N 2.87Å; W55-M99 HydrophobicContact CD2-CG 4.18Å; W55-M99 HydrophobicContact CE3-CB 4.4Å; W55-M99 HydrophobicContact CE3-CG 4.12Å; W55-M99 HydrophobicContact CH2-CB 4.06Å; W55-M99 HydrophobicContact CH2-CG 3.85Å; W55-M99 HydrophobicContact CH2-SD 4.22Å; W55-M99 HydrophobicContact CZ2-CE 4.03Å; W55-M99 HydrophobicContact CZ2-CG 3.91Å; W55-M99 HydrophobicContact CZ2-SD 3.97Å; W55-M99 HydrophobicContact CZ3-CB 3.95Å; W55-M99 HydrophobicContact CZ3-CG 3.95Å; W55-M99 WeakPolarHBondContact O-CG 3.4Å; W55-V102 HydrophobicContact CZ3-CG1 4.05Å; W55-V102 HydrophobicContact CZ3-CG2 4.14Å; W55-V111 HydrophobicContact CH2-CG1 4.3Å; W55-V111 HydrophobicContact CH2-CG2 4.43Å; W55-F217 HydrophobicContact CH2-CD2 4.32Å; W55-F217 HydrophobicContact CH2-CE2 4.48Å; W55-F217 AromaticContact CZ2-CD2 3.58Å; W55-F217 HydrophobicContact CZ2-CD2 3.58Å; W55-F217 AromaticContact CZ2-CE2 3.66Å; W55-F217 HydrophobicContact CZ2-CE2 3.66Å; W55-F217 HydrophobicContact CZ2-CG 4.28Å; W55-F217 HydrophobicContact CZ2-CZ 4.44Å
56V95.8Very high94.4Very high37 Ų3750.3 Ų50.322%0.22428%0.279CS..Hα-helixtrans-70.2-50.5177.3172.10000111.3F52 E53 P98 M99 V102F52-V56 HydrophobicContact CD1-CG2 4.33Å; F52-V56 HydrophobicContact CD2-CG2 4.17Å; F52-V56 HydrophobicContact CE1-CG2 3.91Å; F52-V56 HydrophobicContact CE2-CG2 3.74Å; F52-V56 HydrophobicContact CG-CG2 4.46Å; F52-V56 HydrophobicContact CZ-CG2 3.61Å; F52-V56 WeakPolarHBondContact O-CG2 3.42Å; F52-V56 PolarHBondContact O-N 3.43Å; E53-V56 PolarHBondContact O-N 3.29Å; V56-P98 CarbonylContact O-C 3.45Å; V56-P98 VanDerWaalsContact O-CA 3.25Å; V56-P98 WeakPolarHBondContact O-CA 3.25Å; V56-M99 PolarHBondContact O-N 2.88Å; V56-V102 HydrophobicContact CG2-CG2 4.38Å
57D93.9Very high94.6Very high104 Ų10445.3 Ų45.356%0.55626%0.26SS*.SBendtrans-136.492.3-178-170.920.3000110.2E53 V54E53-D57 PolarHBondContact O-N 2.99Å; V54-D57 CarbonylContact O-C 3.59Å
58P90.7Very high94.9Very high42 Ų4240.1 Ų40.127%0.27323%0.232SC..  trans-62.9126.4-178.9-22.833000111.6V54 A60V54-P58 WeakPolarHBondContact O-CA 3.47Å; V54-P58 WeakPolarHBondContact O-CG 3.36Å; P58-A60 VanDerWaalsContact C-N 3.31Å; P58-A60 PolarHBondContact O-N 3.31Å
59P90.7Very high95.3Very high72 Ų7236.7 Ų36.747%0.46820%0.197SC..SBendtrans-73.5-21.8-174.128.1-35.6000113.8S426P59-S426 WeakPolarHBondContact CG-OG 3.42Å
60A93.2Very high95.5Very high14 Ų1437.7 Ų37.712%0.11620%0.201CC..SBendtrans-77.1130.5-177.400000111P58 I62 V420P58-A60 VanDerWaalsContact C-N 3.31Å; P58-A60 PolarHBondContact O-N 3.31Å; A60-I62 PolarHBondContact O-N 2.87Å; A60-V420 HydrophobicContact CB-CG2 3.62Å
61P94.9Very high95.9Very high39 Ų3933.3 Ų33.325%0.25318%0.181SC..PPolyproline II helixtrans-67.6134177.229-34000110.5Y63P61-Y63 HydrophobicContact CB-CE2 3.86Å; P61-Y63 HydrophobicContact CG-CE2 4.06Å
62I96.5Very high96.1Very high8 Ų835.7 Ų35.74%0.04119%0.194CC..EExtended strand (participates in β ladder)trans-103.8136.7175.4-61.3147000108.2A60 E95 R97 E418 V420A60-I62 PolarHBondContact O-N 2.87Å; I62-E95 HydrophobicContact CB-CB 4.13Å; I62-E95 HydrophobicContact CG2-CB 3.98Å; I62-E95 PolarHBondContact O-N 2.94Å; I62-R97 HydrophobicContact CD1-CG 3.72Å; I62-E418 HydrophobicContact CG2-CG 4.08Å; I62-V420 HydrophobicContact CG1-CB 3.98Å; I62-V420 HydrophobicContact CG1-CG2 3.9Å
63Y98.1Very high96.3Very high58 Ų5836 Ų3623%0.22720%0.196CC..EExtended strand (participates in β ladder)trans-122128.1177.5-65.8-85.3000110.2P61 T92 Y93 R94 Q122 M125 E418 S419P61-Y63 HydrophobicContact CB-CE2 3.86Å; P61-Y63 HydrophobicContact CG-CE2 4.06Å; Y63-T92 HydrophobicContact CD1-CG2 3.84Å; Y63-Y93 CarbonylContact C-O 3.47Å; Y63-Y93 WeakPolarHBondContact CA-O 3.46Å; Y63-R94 HydrophobicContact CD1-CB 4.41Å; Y63-R94 HydrophobicContact CE1-CB 4.27Å; Y63-R94 HydrophobicContact CE1-CG 4.46Å; Y63-Q122 HydrophobicContact CE1-CG 4.34Å; Y63-M125 HydrophobicContact CD1-CE 4.08Å; Y63-M125 HydrophobicContact CD1-SD 4.13Å; Y63-M125 HydrophobicContact CE1-CE 3.93Å; Y63-M125 HydrophobicContact CE1-SD 3.57Å; Y63-M125 VanDerWaalsContact CE1-SD 3.57Å; Y63-M125 HydrophobicContact CG-CE 4.48Å; Y63-E418 WeakPolarHBondContact O-CA 3.12Å; Y63-S419 PolarHBondContact N-O 3.19Å; Y63-S419 PolarHBondContact O-N 3.45Å
64M97.9Very high96.5Very high5 Ų531.3 Ų31.33%0.02518%0.176CC..EExtended strand (participates in β ladder)trans-103.5116.3172.1-167.8169.6-159.500108.7F66 Y93 Y119 F204 L416M64-F66 HydrophobicContact CE-CE1 3.72Å; M64-F66 HydrophobicContact CE-CZ 3.75Å; M64-F66 HydrophobicContact CG-CE1 4.03Å; M64-F66 HydrophobicContact CG-CE2 3.99Å; M64-F66 HydrophobicContact CG-CZ 3.61Å; M64-F66 HydrophobicContact SD-CE1 4.04Å; M64-F66 HydrophobicContact SD-CE2 4.23Å; M64-F66 HydrophobicContact SD-CZ 3.45Å; M64-F66 WeakPolarHBondContact SD-CZ 3.43Å; M64-Y93 PolarHBondContact N-O 2.89Å; M64-Y93 PolarHBondContact O-N 3.39Å; M64-Y119 HydrophobicContact SD-CD1 3.97Å; M64-Y119 HydrophobicContact SD-CE1 3.37Å; M64-Y119 WeakPolarHBondContact SD-CE1 3.15Å; M64-F204 HydrophobicContact CE-CD1 4.44Å; M64-F204 HydrophobicContact CE-CE1 3.54Å; M64-F204 HydrophobicContact CE-CZ 3.69Å; M64-L416 HydrophobicContact CE-CB 4.45Å; M64-L416 HydrophobicContact CE-CD1 4.27Å; M64-L416 HydrophobicContact CE-CD2 3.81Å; M64-L416 HydrophobicContact CE-CG 4.4Å
65Q98.7Very high96.7Very high31 Ų3132.1 Ų32.115%0.14519%0.188CC..EExtended strand (participates in β ladder)trans-113.1127.7-178.1-58.4-178.7-54.700110.2Y67 P90 Y91 T92 L416 N417Q65-Y67 HydrophobicContact CB-CE2 3.76Å; Q65-Y67 PolarHBondContact OE1-OH 3.31Å; Q65-P90 HydrophobicContact CB-CB 3.96Å; Q65-P90 HydrophobicContact CG-CB 4.37Å; Q65-Y91 WeakPolarHBondContact CA-O 3.42Å; Q65-T92 HydrophobicContact CG-CG2 4.1Å; Q65-T92 PolarHBondContact NE2-OG1 3.42Å; Q65-L416 CarbonylContact O-C 3.5Å; Q65-L416 WeakPolarHBondContact O-CA 3.42Å; Q65-N417 HydrophobicContact CB-CB 4.36Å; Q65-N417 PolarHBondContact N-O 2.88Å; Q65-N417 PolarHBondContact O-N 2.9Å; Q65-N417 PolarHBondContact OE1-ND2 3.24Å
66F98.8Very high96.9Very high0 Ų035.7 Ų35.70%021%0.205CC..EExtended strand (participates in β ladder)trans-106.1137.4179.7-58.6-74000111.8M64 F68 P90 Y91 Y93 L179 F204 M414 L416M64-F66 HydrophobicContact CE-CE1 3.72Å; M64-F66 HydrophobicContact CE-CZ 3.75Å; M64-F66 HydrophobicContact CG-CE1 4.03Å; M64-F66 HydrophobicContact CG-CE2 3.99Å; M64-F66 HydrophobicContact CG-CZ 3.61Å; M64-F66 HydrophobicContact SD-CE1 4.04Å; M64-F66 HydrophobicContact SD-CE2 4.23Å; M64-F66 HydrophobicContact SD-CZ 3.45Å; M64-F66 WeakPolarHBondContact SD-CZ 3.43Å; F66-F68 HydrophobicContact CB-CE2 4.01Å; F66-P90 CarbonylContact O-C 3.59Å; F66-P90 WeakPolarHBondContact O-CA 3.36Å; F66-Y91 PolarHBondContact N-O 3.2Å; F66-Y91 PolarHBondContact O-N 2.89Å; F66-Y93 AromaticContact CD2-CD2 3.61Å; F66-Y93 HydrophobicContact CD2-CD2 3.61Å; F66-Y93 AromaticContact CD2-CE2 3.63Å; F66-Y93 HydrophobicContact CD2-CE2 3.63Å; F66-Y93 AromaticContact CE2-CD2 3.5Å; F66-Y93 HydrophobicContact CE2-CD2 3.5Å; F66-Y93 VanDerWaalsContact CE2-CD2 3.5Å; F66-Y93 AromaticContact CE2-CE2 3.76Å; F66-Y93 HydrophobicContact CE2-CE2 3.76Å; F66-Y93 HydrophobicContact CE2-CG 4.35Å; F66-L179 HydrophobicContact CD1-CD2 3.86Å; F66-L179 HydrophobicContact CD2-CD1 3.62Å; F66-L179 HydrophobicContact CD2-CD2 4.13Å; F66-L179 HydrophobicContact CE1-CD2 3.93Å; F66-L179 HydrophobicContact CE2-CD1 3.89Å; F66-L179 HydrophobicContact CE2-CD2 4.2Å; F66-L179 HydrophobicContact CG-CD1 4.08Å; F66-L179 HydrophobicContact CG-CD2 3.93Å; F66-L179 HydrophobicContact CZ-CD2 4.08Å; F66-F204 HydrophobicContact CE1-CD2 4.15Å; F66-F204 AromaticContact CE1-CE2 3.64Å; F66-F204 HydrophobicContact CE1-CE2 3.64Å; F66-F204 AromaticContact CE1-CZ 3.92Å; F66-F204 HydrophobicContact CE1-CZ 3.92Å; F66-F204 HydrophobicContact CZ-CD2 4.36Å; F66-F204 HydrophobicContact CZ-CE2 4.24Å; F66-F204 HydrophobicContact CZ-CZ 4.46Å; F66-M414 HydrophobicContact CD1-CE 3.38Å; F66-M414 HydrophobicContact CD1-SD 4.09Å; F66-M414 HydrophobicContact CE1-CE 3.74Å; F66-L416 HydrophobicContact CD1-CB 3.95Å; F66-L416 HydrophobicContact CE1-CB 4.12Å
67Y98.8Very high97Very high31 Ų3134 Ų3412%0.12220%0.195CC..EExtended strand (participates in β ladder)trans-129.9114.1178.5-59.3-102.5000108.1Q65 I88 P90 M414 Y415 N417Q65-Y67 HydrophobicContact CB-CE2 3.76Å; Q65-Y67 PolarHBondContact OE1-OH 3.31Å; Y67-I88 CarbonylContact C-O 3.55Å; Y67-I88 WeakPolarHBondContact CA-O 3.31Å; Y67-P90 HydrophobicContact CD1-CB 4.46Å; Y67-P90 HydrophobicContact CE1-CB 3.8Å; Y67-P90 HydrophobicContact CE1-CG 4.25Å; Y67-P90 HydrophobicContact CE2-CB 4.12Å; Y67-M414 CarbonylContact O-C 3.6Å; Y67-M414 WeakPolarHBondContact O-CA 3.46Å; Y67-M414 VanDerWaalsContact O-CB 3.26Å; Y67-M414 WeakPolarHBondContact O-CB 3.48Å; Y67-Y415 VanDerWaalsContact CB-CZ 3.42Å; Y67-Y415 HydrophobicContact CD1-CE1 4.33Å; Y67-Y415 HydrophobicContact CD1-CE2 4.39Å; Y67-Y415 AromaticContact CD1-CZ 3.76Å; Y67-Y415 WeakPolarHBondContact CD1-OH 3.37Å; Y67-Y415 AromaticContact CD2-CD2 3.85Å; Y67-Y415 HydrophobicContact CD2-CD2 3.85Å; Y67-Y415 HydrophobicContact CD2-CE1 4.2Å; Y67-Y415 AromaticContact CD2-CE2 3.2Å; Y67-Y415 HydrophobicContact CD2-CE2 3.2Å; Y67-Y415 AromaticContact CD2-CZ 3.41Å; Y67-Y415 VanDerWaalsContact CD2-CZ 3.41Å; Y67-Y415 AromaticContact CE2-CE2 3.69Å; Y67-Y415 HydrophobicContact CE2-CE2 3.69Å; Y67-Y415 HydrophobicContact CG-CD1 4.41Å; Y67-Y415 HydrophobicContact CG-CD2 4.35Å; Y67-Y415 AromaticContact CG-CE1 3.74Å; Y67-Y415 HydrophobicContact CG-CE1 3.74Å; Y67-Y415 AromaticContact CG-CE2 3.62Å; Y67-Y415 HydrophobicContact CG-CE2 3.62Å; Y67-Y415 AromaticContact CG-CZ 3.26Å; Y67-Y415 VanDerWaalsContact CG-OH 3.23Å; Y67-Y415 PolarHBondContact N-O 3.15Å; Y67-Y415 PolarHBondContact O-N 3.12Å; Y67-N417 HydrophobicContact CE2-CB 4.23Å
68F98.9Very high97.2Very high0 Ų031.7 Ų31.70%018%0.182CC..EExtended strand (participates in β ladder)trans-93.2149.2-176.7-74.4-90.8000111.8F66 E87 I88 Y91 I134 V175 L178 L179 L203 M414F66-F68 HydrophobicContact CB-CE2 4.01Å; F68-E87 CarbonylContact O-C 3.55Å; F68-E87 VanDerWaalsContact O-CA 3.3Å; F68-E87 WeakPolarHBondContact O-CA 3.49Å; F68-I88 PolarHBondContact N-O 2.91Å; F68-I88 PolarHBondContact O-N 3.25Å; F68-Y91 HydrophobicContact CD2-CD2 4.02Å; F68-Y91 HydrophobicContact CD2-CE2 4.16Å; F68-Y91 HydrophobicContact CE2-CD2 4.26Å; F68-I134 HydrophobicContact CB-CD1 3.78Å; F68-I134 HydrophobicContact CB-CG1 3.98Å; F68-I134 HydrophobicContact CB-CG2 3.95Å; F68-I134 HydrophobicContact CD1-CG1 4.26Å; F68-I134 HydrophobicContact CD1-CG2 4Å; F68-I134 HydrophobicContact CD2-CG1 4.42Å; F68-I134 HydrophobicContact CG-CD1 4.25Å; F68-I134 HydrophobicContact CG-CG1 3.96Å; F68-I134 HydrophobicContact CG-CG2 4.24Å; F68-V175 HydrophobicContact CD2-CG2 4.19Å; F68-V175 HydrophobicContact CE2-CB 4.42Å; F68-V175 HydrophobicContact CE2-CG1 3.75Å; F68-V175 HydrophobicContact CE2-CG2 4.11Å; F68-V175 HydrophobicContact CZ-CG1 4.28Å; F68-L178 HydrophobicContact CD1-CD1 4.12Å; F68-L178 HydrophobicContact CE1-CB 4.04Å; F68-L178 HydrophobicContact CE1-CD1 3.84Å; F68-L178 HydrophobicContact CZ-CB 4.37Å; F68-L179 HydrophobicContact CE2-CD1 4.46Å; F68-L179 HydrophobicContact CE2-CD2 4.37Å; F68-L179 HydrophobicContact CE2-CG 4.38Å; F68-L179 HydrophobicContact CZ-CD1 4.39Å; F68-L179 HydrophobicContact CZ-CD2 3.72Å; F68-L179 HydrophobicContact CZ-CG 3.83Å; F68-L203 HydrophobicContact CE1-CD1 4.34Å; F68-M414 HydrophobicContact CD1-CB 3.79Å; F68-M414 HydrophobicContact CD1-CG 4.47Å; F68-M414 HydrophobicContact CE1-CB 4.02Å; F68-M414 HydrophobicContact CE1-CG 4.25Å; F68-M414 HydrophobicContact CE1-SD 3.87Å; F68-M414 HydrophobicContact CG-CB 4.16Å; F68-M414 HydrophobicContact CZ-SD 3.87Å
69F98.9Very high97.5Very high1 Ų135.6 Ų35.60%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-101.799.2171.2-65.4-67.1000109.7V85 E87 H346 M361 Q389 P412 V413 Y415F69-V85 HydrophobicContact CB-CB 3.95Å; F69-V85 HydrophobicContact CB-CG1 4.24Å; F69-V85 HydrophobicContact CB-CG2 4.02Å; F69-V85 HydrophobicContact CD1-CG2 3.92Å; F69-V85 HydrophobicContact CG-CG2 4.26Å; F69-E87 HydrophobicContact CD1-CB 4.44Å; F69-E87 HydrophobicContact CE1-CB 4.34Å; F69-E87 HydrophobicContact CE1-CG 4.49Å; F69-H346 AromaticContact CE1-CE1 3.61Å; F69-H346 AromaticContact CE1-NE2 3.82Å; F69-H346 AromaticContact CZ-CE1 3.98Å; F69-H346 AromaticContact CZ-NE2 3.79Å; F69-M361 HydrophobicContact CD1-CE 3.6Å; F69-M361 HydrophobicContact CE1-CE 3.44Å; F69-M361 VanDerWaalsContact CE1-CE 3.44Å; F69-M361 HydrophobicContact CG-CE 4.21Å; F69-M361 HydrophobicContact CZ-CE 3.91Å; F69-M361 HydrophobicContact CZ-SD 4.44Å; F69-Q389 HydrophobicContact CE2-CG 4.3Å; F69-Q389 VanDerWaalsContact CE2-OE1 3.28Å; F69-P412 HydrophobicContact CB-CG 4.5Å; F69-P412 WeakPolarHBondContact CB-O 3.28Å; F69-P412 HydrophobicContact CD2-CB 3.6Å; F69-P412 HydrophobicContact CD2-CG 4.29Å; F69-P412 HydrophobicContact CE2-CB 3.94Å; F69-P412 HydrophobicContact CG-CB 4.15Å; F69-P412 HydrophobicContact CG-CG 4.35Å; F69-V413 PolarHBondContact N-O 3.1Å; F69-Y415 AromaticContact CE2-CD1 3.92Å; F69-Y415 HydrophobicContact CE2-CD1 3.92Å; F69-Y415 AromaticContact CZ-CD1 3.65Å; F69-Y415 HydrophobicContact CZ-CD1 3.65Å; F69-Y415 HydrophobicContact CZ-CE1 4.16Å
70N98.8Very high97.8Very high34 Ų3432.8 Ų32.818%0.18218%0.184CC..EExtended strand (participates in β ladder)trans-80.8121.5-179.4-173.336.9000110.8V85 T86 I88 R135N70-V85 CarbonylContact O-C 3.57Å; N70-V85 VanDerWaalsContact O-CA 3.25Å; N70-V85 WeakPolarHBondContact O-CA 3.34Å; N70-T86 PolarHBondContact N-O 2.95Å; N70-T86 PolarHBondContact O-N 3.27Å; N70-T86 PolarHBondContact O-OG1 2.94Å; N70-I88 HydrophobicContact CB-CD1 3.49Å; N70-I88 VanDerWaalsContact CB-CD1 3.49Å; N70-I88 HydrophobicContact CB-CG1 4.01Å; N70-R135 WeakPolarHBondContact OD1-CB 3.4Å; N70-R135 PolarHBondContact OD1-N 3.36Å; N70-R135 PolarHBondContact OD1-O 3.14Å
71L98.8Very high98.1Very high0 Ų037 Ų370%020%0.201CC..EExtended strand (participates in β ladder)trans-74.8130.1-177.7-179.460.3000111.8P74 V77 P83 V85 R135 F170 F411L71-P74 HydrophobicContact CD2-CB 3.8Å; L71-P74 HydrophobicContact CG-CB 4.38Å; L71-V77 HydrophobicContact CD1-CG2 4.42Å; L71-P83 HydrophobicContact CD1-CB 4.17Å; L71-V85 HydrophobicContact CD1-CG1 4.36Å; L71-R135 HydrophobicContact CB-CG 4.5Å; L71-R135 WeakPolarHBondContact CB-O 3.37Å; L71-R135 PolarHBondContact N-O 3.22Å; L71-R135 VanDerWaalsContact O-CZ 3.26Å; L71-R135 PolarHBondContact O-NE 3.44Å; L71-R135 PolarHBondContact O-NH2 3.07Å; L71-F170 HydrophobicContact CD2-CD1 3.3Å; L71-F170 HydrophobicContact CD2-CD2 4.05Å; L71-F170 HydrophobicContact CD2-CE1 3.35Å; L71-F170 HydrophobicContact CD2-CE2 4.07Å; L71-F170 HydrophobicContact CD2-CG 3.69Å; L71-F170 HydrophobicContact CD2-CZ 3.76Å; L71-F411 HydrophobicContact CB-CZ 4.16Å; L71-F411 HydrophobicContact CD1-CE2 4Å; L71-F411 HydrophobicContact CD1-CZ 4.05Å; L71-F411 HydrophobicContact CD2-CE2 4.23Å; L71-F411 HydrophobicContact CD2-CZ 4.08Å; L71-F411 HydrophobicContact CG-CZ 4.33Å
72T98.6Very high98.2Very high71 Ų7138.7 Ų38.744%0.43620%0.202SC..SBendtrans-99.9-28.5-17661.70000113.9P74 A84 T86 R135T72-P74 WeakPolarHBondContact O-CD 3.34Å; T72-A84 PolarHBondContact N-O 3.26Å; T72-A84 WeakPolarHBondContact OG1-CB 3.44Å; T72-A84 PolarHBondContact OG1-O 3.21Å; T72-T86 HydrophobicContact CG2-CG2 3.79Å; T72-R135 VanDerWaalsContact C-NH2 3.34Å; T72-R135 PolarHBondContact O-NH2 3.3Å
73N98.4Very high98.3Very high26 Ų2638.4 Ų38.414%0.13920%0.201CC..  trans-12755.2-171.268.2-32.9000114.3A75 E76 V77 R82 A84N73-A75 VanDerWaalsContact C-N 3.32Å; N73-A75 PolarHBondContact O-N 3.4Å; N73-E76 VanDerWaalsContact CA-OE2 3.27Å; N73-E76 WeakPolarHBondContact CA-OE2 3.49Å; N73-E76 HydrophobicContact CB-CB 4.24Å; N73-E76 HydrophobicContact CB-CG 4.42Å; N73-E76 WeakPolarHBondContact CB-OE2 3.27Å; N73-E76 PolarHBondContact O-N 3.27Å; N73-V77 VanDerWaalsContact O-CG2 3.31Å; N73-V77 WeakPolarHBondContact O-CG2 3.45Å; N73-V77 PolarHBondContact O-N 3.22Å; N73-V77 VanDerWaalsContact O-N 3.17Å; N73-R82 PolarHBondContact ND2-O 2.84Å; N73-A84 WeakPolarHBondContact OD1-CB 3.49Å; N73-A84 PolarHBondContact OD1-N 3.18Å; N73-A84 PolarHBondContact OD1-O 3.35Å
74P98.2Very high98.3Very high25 Ų2536.6 Ų36.616%0.16220%0.198CC..Hα-helixtrans-62.9-33.5-173.827-36.2000114.2L71 T72 V77 L78 F170L71-P74 HydrophobicContact CD2-CB 3.8Å; L71-P74 HydrophobicContact CG-CB 4.38Å; T72-P74 WeakPolarHBondContact O-CD 3.34Å; P74-V77 PolarHBondContact O-N 3.14Å; P74-L78 WeakPolarHBondContact O-CG 3.48Å; P74-L78 PolarHBondContact O-N 2.91Å; P74-F170 HydrophobicContact CB-CB 4.39Å; P74-F170 HydrophobicContact CB-CD2 3.62Å; P74-F170 HydrophobicContact CB-CE2 4.17Å; P74-F170 HydrophobicContact CB-CG 4.1Å
75A98.1Very high98.4Very high63 Ų6336.9 Ų36.952%0.52120%0.2SC..Hα-helixtrans-70.3-40.9-177.900000111.5N73 V77 L78 I79N73-A75 VanDerWaalsContact C-N 3.32Å; N73-A75 PolarHBondContact O-N 3.4Å; A75-V77 VanDerWaalsContact C-N 3.35Å; A75-L78 PolarHBondContact O-N 3.22Å; A75-I79 PolarHBondContact O-N 2.71Å
76E98.4Very high98.4Very high89 Ų8938.6 Ų38.642%0.41621%0.213SC..Hα-helixtrans-64.9-40.7176.6-6478.4-177.400110.7N73 L78 I79 G80 E81N73-E76 VanDerWaalsContact CA-OE2 3.27Å; N73-E76 WeakPolarHBondContact CA-OE2 3.49Å; N73-E76 HydrophobicContact CB-CB 4.24Å; N73-E76 HydrophobicContact CB-CG 4.42Å; N73-E76 WeakPolarHBondContact CB-OE2 3.27Å; N73-E76 PolarHBondContact O-N 3.27Å; E76-L78 VanDerWaalsContact C-N 3.3Å; E76-L78 PolarHBondContact O-N 2.75Å; E76-I79 WeakPolarHBondContact O-CG1 3.22Å; E76-I79 PolarHBondContact O-N 2.89Å; E76-I79 VanDerWaalsContact O-N 3.16Å; E76-G80 PolarHBondContact O-N 3.32Å; E76-E81 HydrophobicContact CB-CB 3.88Å; E76-E81 HydrophobicContact CB-CG 4.11Å; E76-E81 WeakPolarHBondContact O-CB 3.27Å; E76-E81 PolarHBondContact O-N 3.33Å
77V98.3Very high98.4Very high1 Ų142.8 Ų42.81%0.00623%0.233CC..Hα-helixtrans-61.3-40176.51760000111.5L71 N73 P74 A75 I79 G80 P83 F170 V406L71-V77 HydrophobicContact CD1-CG2 4.42Å; N73-V77 VanDerWaalsContact O-CG2 3.31Å; N73-V77 WeakPolarHBondContact O-CG2 3.45Å; N73-V77 PolarHBondContact O-N 3.22Å; N73-V77 VanDerWaalsContact O-N 3.17Å; P74-V77 PolarHBondContact O-N 3.14Å; A75-V77 VanDerWaalsContact C-N 3.35Å; V77-I79 PolarHBondContact O-N 2.76Å; V77-G80 PolarHBondContact O-N 2.72Å; V77-G80 VanDerWaalsContact O-N 3.08Å; V77-P83 HydrophobicContact CG1-CG 4.19Å; V77-P83 VanDerWaalsContact CG2-CA 3.49Å; V77-P83 HydrophobicContact CG2-CB 4.01Å; V77-P83 HydrophobicContact CG2-CG 3.98Å; V77-F170 HydrophobicContact CB-CE2 4.13Å; V77-F170 HydrophobicContact CB-CZ 4.1Å; V77-F170 HydrophobicContact CG1-CE2 4.01Å; V77-F170 HydrophobicContact CG1-CZ 3.61Å; V77-V406 HydrophobicContact CG1-CG2 3.63Å; V77-V406 WeakPolarHBondContact O-CA 3.25Å
78L97.8Very high98.4Very high56 Ų5642.8 Ų42.829%0.29323%0.234SC..Hα-helixtrans-66.1-21178-73.8173000114P74 A75 E76 L169 F170 Q402 N405P74-L78 WeakPolarHBondContact O-CG 3.48Å; P74-L78 PolarHBondContact O-N 2.91Å; A75-L78 PolarHBondContact O-N 3.22Å; E76-L78 VanDerWaalsContact C-N 3.3Å; E76-L78 PolarHBondContact O-N 2.75Å; L78-L169 HydrophobicContact CD2-CB 4.01Å; L78-L169 HydrophobicContact CD2-CD2 3.8Å; L78-F170 HydrophobicContact CD2-CE2 4.27Å; L78-F170 HydrophobicContact CG-CD2 4.42Å; L78-F170 HydrophobicContact CG-CE2 4.08Å; L78-Q402 WeakPolarHBondContact CD2-O 3.12Å; L78-N405 PolarHBondContact O-N 3.1Å
79I97.7Very high98.3Very high123 Ų12343.5 Ų43.563%0.63124%0.241SC*.THydrogen-bonded Turntrans-97.22.4174.862.8170.7000113A75 E76 V77A75-I79 PolarHBondContact O-N 2.71Å; E76-I79 WeakPolarHBondContact O-CG1 3.22Å; E76-I79 PolarHBondContact O-N 2.89Å; E76-I79 VanDerWaalsContact O-N 3.16Å; V77-I79 PolarHBondContact O-N 2.76Å
80G97.2Very high98.3Very high14 Ų1444.9 Ų44.914%0.14425%0.251CS..THydrogen-bonded Turntrans101.920.1173.900000115.1E76 V77 N405 R407E76-G80 PolarHBondContact O-N 3.32Å; V77-G80 PolarHBondContact O-N 2.72Å; V77-G80 VanDerWaalsContact O-N 3.08Å; G80-N405 WeakPolarHBondContact CA-O 3.36Å; G80-N405 PolarHBondContact N-O 3.34Å; G80-R407 VanDerWaalsContact O-CZ 3.23Å; G80-R407 PolarHBondContact O-NE 3.17Å; G80-R407 PolarHBondContact O-NH2 3.23Å
81E98.1Very high98.3Very high101 Ų10143.3 Ų43.347%0.47224%0.242SC..PPolyproline II helixtrans-82.6167.9166.6-68.4-61.6157.500112.4E76 R407E76-E81 HydrophobicContact CB-CB 3.88Å; E76-E81 HydrophobicContact CB-CG 4.11Å; E76-E81 WeakPolarHBondContact O-CB 3.27Å; E76-E81 PolarHBondContact O-N 3.33Å; E81-R407 IonicContact OE2-NH2 3.27Å
82R97.9Very high98.3Very high75 Ų7543.3 Ų43.328%0.28324%0.242SC..PPolyproline II helixtrans-76140.7177-61.9-165.7-55-167.32.7111.7N73 Q356 F359N73-R82 PolarHBondContact ND2-O 2.84Å; R82-Q356 PolarHBondContact NH1-O 2.9Å; R82-F359 HydrophobicContact CB-CD2 4.01Å; R82-F359 HydrophobicContact CB-CE2 3.94Å
83P98.5Very high98.3Very high3 Ų340.1 Ų40.12%0.01922%0.222CC..PPolyproline II helixtrans-61.2141.2171.8-21.232.4000112.5L71 V77 V358 F359 V409 F411L71-P83 HydrophobicContact CD1-CB 4.17Å; V77-P83 HydrophobicContact CG1-CG 4.19Å; V77-P83 VanDerWaalsContact CG2-CA 3.49Å; V77-P83 HydrophobicContact CG2-CB 4.01Å; V77-P83 HydrophobicContact CG2-CG 3.98Å; P83-V358 HydrophobicContact CB-CG1 4.31Å; P83-V358 HydrophobicContact CB-CG2 4.45Å; P83-V358 HydrophobicContact CG-CG2 4.46Å; P83-F359 PolarHBondContact O-N 3.11Å; P83-V409 HydrophobicContact CG-CG1 4.3Å; P83-F411 HydrophobicContact CB-CD2 4.15Å; P83-F411 HydrophobicContact CB-CE2 3.81Å; P83-F411 HydrophobicContact CG-CD2 4.02Å; P83-F411 HydrophobicContact CG-CE2 4.11Å
84A98.8Very high98.3Very high20 Ų2042.9 Ų42.917%0.16523%0.231CC..BIsolated β-bridgetrans-123.4119.7170.900000110.1T72 N73 F359T72-A84 PolarHBondContact N-O 3.26Å; T72-A84 WeakPolarHBondContact OG1-CB 3.44Å; T72-A84 PolarHBondContact OG1-O 3.21Å; N73-A84 WeakPolarHBondContact OD1-CB 3.49Å; N73-A84 PolarHBondContact OD1-N 3.18Å; N73-A84 PolarHBondContact OD1-O 3.35Å; A84-F359 WeakPolarHBondContact CA-O 3.4Å; A84-F359 HydrophobicContact CB-CB 3.85Å; A84-F359 HydrophobicContact CB-CD2 4.27Å; A84-F359 HydrophobicContact CB-CG 4.49Å
85V98.8Very high98.2Very high11 Ų1142 Ų427%0.06722%0.224CC..EExtended strand (participates in β ladder)trans-120.1150.5-175.3-58.90000111.9F69 N70 L71 V358 F359 M361 F411 P412F69-V85 HydrophobicContact CB-CB 3.95Å; F69-V85 HydrophobicContact CB-CG1 4.24Å; F69-V85 HydrophobicContact CB-CG2 4.02Å; F69-V85 HydrophobicContact CD1-CG2 3.92Å; F69-V85 HydrophobicContact CG-CG2 4.26Å; N70-V85 CarbonylContact O-C 3.57Å; N70-V85 VanDerWaalsContact O-CA 3.25Å; N70-V85 WeakPolarHBondContact O-CA 3.34Å; L71-V85 HydrophobicContact CD1-CG1 4.36Å; V85-V358 HydrophobicContact CG1-CG1 4.23Å; V85-V358 HydrophobicContact CG2-CG1 3.85Å; V85-F359 PolarHBondContact N-O 2.84Å; V85-M361 HydrophobicContact CG2-CE 3.46Å; V85-M361 VanDerWaalsContact CG2-CE 3.46Å; V85-F411 HydrophobicContact CG1-CZ 4.27Å; V85-P412 HydrophobicContact CG2-CG 4.49Å
86T98.6Very high98Very high67 Ų6743.4 Ų43.441%0.41122%0.217SC..EExtended strand (participates in β ladder)trans-117.2129.2170.254.90000109.3N70 T72N70-T86 PolarHBondContact N-O 2.95Å; N70-T86 PolarHBondContact O-N 3.27Å; N70-T86 PolarHBondContact O-OG1 2.94Å; T72-T86 HydrophobicContact CG2-CG2 3.79Å
87E98.6Very high97.8Very high88 Ų8841.1 Ų41.141%0.41120%0.204SC..EExtended strand (participates in β ladder)trans-68.4134.6174.8-174.8-172.6117.900110.9F68 F69 H346 Y415F68-E87 CarbonylContact O-C 3.55Å; F68-E87 VanDerWaalsContact O-CA 3.3Å; F68-E87 WeakPolarHBondContact O-CA 3.49Å; F69-E87 HydrophobicContact CD1-CB 4.44Å; F69-E87 HydrophobicContact CE1-CB 4.34Å; F69-E87 HydrophobicContact CE1-CG 4.49Å; E87-H346 IonicContact OE2-CE1 2.72Å; E87-H346 PolarHBondContact OE2-CE1 3.49Å; E87-H346 IonicContact OE2-NE2 3.59Å; E87-H346 PolarHBondContact OE2-NE2 3.39Å; E87-Y415 HydrophobicContact CG-CE1 4.44Å
88I98.6Very high97.7Very high31 Ų3142.9 Ų42.916%0.15922%0.216CC..EExtended strand (participates in β ladder)trans-131120.1175.6-54-173.5000108.3Y67 F68 N70 Y91 I134Y67-I88 CarbonylContact C-O 3.55Å; Y67-I88 WeakPolarHBondContact CA-O 3.31Å; F68-I88 PolarHBondContact N-O 2.91Å; F68-I88 PolarHBondContact O-N 3.25Å; N70-I88 HydrophobicContact CB-CD1 3.49Å; N70-I88 VanDerWaalsContact CB-CD1 3.49Å; N70-I88 HydrophobicContact CB-CG1 4.01Å; I88-Y91 HydrophobicContact CG2-CE2 3.99Å; I88-Y91 VanDerWaalsContact CG2-OH 3.27Å; I88-Y91 WeakPolarHBondContact CG2-OH 3.31Å; I88-I134 HydrophobicContact CB-CD1 4.08Å; I88-I134 HydrophobicContact CD1-CD1 3.83Å; I88-I134 HydrophobicContact CG1-CD1 4.42Å; I88-I134 HydrophobicContact CG2-CD1 4.23Å
89G97.6Very high97.6Very high14 Ų1440.9 Ų40.914%0.14421%0.205CC..EExtended strand (participates in β ladder)trans158.9178.9-179.200000113Q127G89-Q127 PolarHBondContact O-OE1 2.93Å
90P98.4Very high97.5Very high31 Ų3139.6 Ų39.620%0.20120%0.197CC..EExtended strand (participates in β ladder)cis-79.2151.94.128.5-32.8000113.6Q65 F66 Y67 S126 Q127Q65-P90 HydrophobicContact CB-CB 3.96Å; Q65-P90 HydrophobicContact CG-CB 4.37Å; F66-P90 CarbonylContact O-C 3.59Å; F66-P90 WeakPolarHBondContact O-CA 3.36Å; Y67-P90 HydrophobicContact CD1-CB 4.46Å; Y67-P90 HydrophobicContact CE1-CB 3.8Å; Y67-P90 HydrophobicContact CE1-CG 4.25Å; Y67-P90 HydrophobicContact CE2-CB 4.12Å; P90-S126 CarbonylContact O-C 3.51Å; P90-S126 VanDerWaalsContact O-CA 3.25Å; P90-S126 WeakPolarHBondContact O-CA 3.27Å; P90-Q127 PolarHBondContact O-N 2.81Å
91Y98.8Very high97.4Very high1 Ų145.2 Ų45.20%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-104.3109.8154.8-60.4-88000107.6Q65 F66 F68 I88 F121 P129 D132 V175Q65-Y91 WeakPolarHBondContact CA-O 3.42Å; F66-Y91 PolarHBondContact N-O 3.2Å; F66-Y91 PolarHBondContact O-N 2.89Å; F68-Y91 HydrophobicContact CD2-CD2 4.02Å; F68-Y91 HydrophobicContact CD2-CE2 4.16Å; F68-Y91 HydrophobicContact CE2-CD2 4.26Å; I88-Y91 HydrophobicContact CG2-CE2 3.99Å; I88-Y91 VanDerWaalsContact CG2-OH 3.27Å; I88-Y91 WeakPolarHBondContact CG2-OH 3.31Å; Y91-F121 HydrophobicContact CD1-CE2 4.47Å; Y91-P129 WeakPolarHBondContact CE1-O 3.44Å; Y91-D132 HydrophobicContact CE1-CB 4.16Å; Y91-D132 WeakPolarHBondContact OH-CB 3.29Å; Y91-D132 PolarHBondContact OH-OD2 2.91Å; Y91-V175 HydrophobicContact CD1-CB 4.49Å; Y91-V175 HydrophobicContact CD1-CG1 4.01Å; Y91-V175 HydrophobicContact CD1-CG2 4.31Å; Y91-V175 HydrophobicContact CD2-CG1 4.08Å; Y91-V175 HydrophobicContact CD2-CG2 4.07Å; Y91-V175 HydrophobicContact CE1-CB 4.45Å; Y91-V175 HydrophobicContact CE1-CG1 4.44Å; Y91-V175 HydrophobicContact CE1-CG2 3.92Å; Y91-V175 HydrophobicContact CE2-CG1 4.5Å; Y91-V175 HydrophobicContact CE2-CG2 3.65Å; Y91-V175 HydrophobicContact CG-CG1 3.83Å; Y91-V175 HydrophobicContact CG-CG2 4.39Å
92T98.8Very high97.3Very high0 Ų042.6 Ų42.60%021%0.21CC..EExtended strand (participates in β ladder)trans-100.3130.6-167.5-60.10000110.7Y63 Q65 F121 Q122 M125 S126Y63-T92 HydrophobicContact CD1-CG2 3.84Å; Q65-T92 HydrophobicContact CG-CG2 4.1Å; Q65-T92 PolarHBondContact NE2-OG1 3.42Å; T92-F121 WeakPolarHBondContact O-CD2 3.29Å; T92-Q122 HydrophobicContact CG2-CB 4.2Å; T92-Q122 HydrophobicContact CG2-CG 4.44Å; T92-Q122 PolarHBondContact O-N 2.92Å; T92-M125 WeakPolarHBondContact CB-O 3.39Å; T92-M125 HydrophobicContact CG2-CB 3.86Å; T92-M125 HydrophobicContact CG2-CE 4.28Å; T92-M125 HydrophobicContact CG2-SD 4.38Å; T92-M125 PolarHBondContact OG1-O 3.16Å; T92-S126 PolarHBondContact N-OG 2.98Å
93Y98.6Very high97.3Very high3 Ų342.9 Ų42.91%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-121.2139.1171.8-63.9-103.3000109.2Y63 M64 F66 I120 F121 E130 L179 W180Y63-Y93 CarbonylContact C-O 3.47Å; Y63-Y93 WeakPolarHBondContact CA-O 3.46Å; M64-Y93 PolarHBondContact N-O 2.89Å; M64-Y93 PolarHBondContact O-N 3.39Å; F66-Y93 AromaticContact CD2-CD2 3.61Å; F66-Y93 HydrophobicContact CD2-CD2 3.61Å; F66-Y93 AromaticContact CD2-CE2 3.63Å; F66-Y93 HydrophobicContact CD2-CE2 3.63Å; F66-Y93 AromaticContact CE2-CD2 3.5Å; F66-Y93 HydrophobicContact CE2-CD2 3.5Å; F66-Y93 VanDerWaalsContact CE2-CD2 3.5Å; F66-Y93 AromaticContact CE2-CE2 3.76Å; F66-Y93 HydrophobicContact CE2-CE2 3.76Å; F66-Y93 HydrophobicContact CE2-CG 4.35Å; Y93-I120 CarbonylContact C-O 3.51Å; Y93-I120 WeakPolarHBondContact CA-O 3.44Å; Y93-F121 HydrophobicContact CD1-CB 3.85Å; Y93-F121 HydrophobicContact CD1-CD2 4.21Å; Y93-F121 HydrophobicContact CD2-CD2 4.29Å; Y93-F121 HydrophobicContact CE1-CB 3.6Å; Y93-F121 AromaticContact CE1-CD2 3.76Å; Y93-F121 HydrophobicContact CE1-CD2 3.76Å; Y93-F121 HydrophobicContact CE1-CG 4.09Å; Y93-F121 AromaticContact CE2-CD2 3.86Å; Y93-F121 HydrophobicContact CE2-CD2 3.86Å; Y93-F121 HydrophobicContact CE2-CE2 4.41Å; Y93-F121 HydrophobicContact CG-CD2 4.45Å; Y93-F121 AromaticContact CZ-CD2 3.57Å; Y93-E130 WeakPolarHBondContact CE1-OE1 3.49Å; Y93-E130 WeakPolarHBondContact OH-CG 3.42Å; Y93-E130 PolarHBondContact OH-OE1 2.89Å; Y93-L179 HydrophobicContact CE2-CD1 3.8Å; Y93-W180 AromaticContact CD1-CZ2 3.72Å; Y93-W180 HydrophobicContact CD1-CZ2 3.72Å; Y93-W180 HydrophobicContact CD2-CZ2 4.44Å; Y93-W180 AromaticContact CE1-CE2 3.77Å; Y93-W180 AromaticContact CE1-CZ2 3.45Å; Y93-W180 HydrophobicContact CE1-CZ2 3.45Å; Y93-W180 VanDerWaalsContact CE1-CZ2 3.45Å; Y93-W180 AromaticContact CE1-NE1 3.53Å; Y93-W180 HydrophobicContact CE2-CZ2 4.21Å; Y93-W180 HydrophobicContact CG-CZ2 4.23Å; Y93-W180 AromaticContact CZ-CE2 3.94Å; Y93-W180 AromaticContact CZ-CZ2 3.71Å; Y93-W180 AromaticContact CZ-NE1 3.55Å; Y93-W180 PolarHBondContact OH-NE1 3.45Å
94R97.9Very high97.2Very high85 Ų8545.8 Ų45.832%0.32123%0.232SC..EExtended strand (participates in β ladder)trans-81.8125.3166.7-176174.9-179.5177.9-0.5108.3Y63 Y96 Y119 I120 Q122Y63-R94 HydrophobicContact CD1-CB 4.41Å; Y63-R94 HydrophobicContact CE1-CB 4.27Å; Y63-R94 HydrophobicContact CE1-CG 4.46Å; R94-Y96 HydrophobicContact CB-CE2 4.44Å; R94-Y96 HydrophobicContact CG-CD2 4.39Å; R94-Y96 HydrophobicContact CG-CE2 3.8Å; R94-Y96 PolarHBondContact NE-OH 2.86Å; R94-Y96 PolarHBondContact NH1-OH 3.45Å; R94-Y119 WeakPolarHBondContact O-CA 2.98Å; R94-I120 PolarHBondContact N-O 3.34Å; R94-I120 PolarHBondContact O-N 3.5Å; R94-Q122 HydrophobicContact CB-CG 4.05Å
95E96.1Very high97Very high5 Ų548.5 Ų48.52%0.02324%0.241CC..EExtended strand (participates in β ladder)trans-94.9132.8177.3-177.3-179.1133.400110I62 R97 T118 Y119I62-E95 HydrophobicContact CB-CB 4.13Å; I62-E95 HydrophobicContact CG2-CB 3.98Å; I62-E95 PolarHBondContact O-N 2.94Å; E95-R97 HydrophobicContact CG-CB 4.42Å; E95-R97 HydrophobicContact CG-CG 4.44Å; E95-R97 WeakPolarHBondContact OE1-CD 3.41Å; E95-R97 WeakPolarHBondContact OE1-CG 3.22Å; E95-R97 IonicContact OE1-CZ 3.09Å; E95-R97 IonicContact OE1-NE 3.18Å; E95-R97 IonicContact OE1-NH1 2.76Å; E95-R97 PolarHBondContact OE1-NH1 2.97Å; E95-T118 CarbonylContact C-O 3.26Å; E95-T118 WeakPolarHBondContact CA-O 3.27Å; E95-Y119 HydrophobicContact CB-CD1 4.34Å; E95-Y119 HydrophobicContact CB-CE1 4.35Å; E95-Y119 HydrophobicContact CG-CD1 4.38Å; E95-Y119 HydrophobicContact CG-CE1 4.01Å
96Y95.3Very high96.5Very high94 Ų9452.9 Ų52.937%0.36926%0.261SS..EExtended strand (participates in β ladder)trans-113.9125.1166.7-67.9-95.9000108.4R94 K117 T118 I120R94-Y96 HydrophobicContact CB-CE2 4.44Å; R94-Y96 HydrophobicContact CG-CD2 4.39Å; R94-Y96 HydrophobicContact CG-CE2 3.8Å; R94-Y96 PolarHBondContact NE-OH 2.86Å; R94-Y96 PolarHBondContact NH1-OH 3.45Å; Y96-K117 CarbonylContact O-C 3.58Å; Y96-K117 WeakPolarHBondContact O-CA 3.41Å; Y96-T118 PolarHBondContact N-O 2.92Å; Y96-T118 PolarHBondContact O-N 2.82Å; Y96-I120 HydrophobicContact CD2-CD1 4.02Å; Y96-I120 HydrophobicContact CD2-CG1 4.27Å; Y96-I120 HydrophobicContact CE2-CD1 3.55Å; Y96-I120 HydrophobicContact CE2-CG1 4.09Å
97R93.7Very high96Very high40 Ų4057.6 Ų57.615%0.15128%0.284CS..  trans-143.159.4-175.561.3146.6-179.7-119.610114.2I62 E95 N115 P116 K117 E418I62-R97 HydrophobicContact CD1-CG 3.72Å; E95-R97 HydrophobicContact CG-CB 4.42Å; E95-R97 HydrophobicContact CG-CG 4.44Å; E95-R97 WeakPolarHBondContact OE1-CD 3.41Å; E95-R97 WeakPolarHBondContact OE1-CG 3.22Å; E95-R97 IonicContact OE1-CZ 3.09Å; E95-R97 IonicContact OE1-NE 3.18Å; E95-R97 IonicContact OE1-NH1 2.76Å; E95-R97 PolarHBondContact OE1-NH1 2.97Å; R97-N115 PolarHBondContact O-ND2 3.17Å; R97-P116 WeakPolarHBondContact CA-O 3.48Å; R97-K117 HydrophobicContact CB-CG 4.03Å; R97-E418 IonicContact CZ-OE1 2.82Å; R97-E418 IonicContact NH1-OE1 3.33Å; R97-E418 PolarHBondContact NH1-OE1 2.66Å
98P95.2Very high95.6Very high39 Ų3954.1 Ų54.125%0.25327%0.271SS..  trans-64.5149.4170.930.7-34.5000110.4V56 N115 P116V56-P98 CarbonylContact O-C 3.45Å; V56-P98 VanDerWaalsContact O-CA 3.25Å; V56-P98 WeakPolarHBondContact O-CA 3.25Å; P98-N115 PolarHBondContact O-ND2 3.21Å; P98-N115 VanDerWaalsContact O-ND2 3.11Å; P98-P116 WeakPolarHBondContact O-CD 3.44Å
99M95.8Very high95.4Very high13 Ų1353.5 Ų53.56%0.06427%0.269CS..  trans-74.4127.3166.7-66.5-68-179.800108.8W55 V56 V102 S113 N115 F217W55-M99 HydrophobicContact CD2-CG 4.18Å; W55-M99 HydrophobicContact CE3-CB 4.4Å; W55-M99 HydrophobicContact CE3-CG 4.12Å; W55-M99 HydrophobicContact CH2-CB 4.06Å; W55-M99 HydrophobicContact CH2-CG 3.85Å; W55-M99 HydrophobicContact CH2-SD 4.22Å; W55-M99 HydrophobicContact CZ2-CE 4.03Å; W55-M99 HydrophobicContact CZ2-CG 3.91Å; W55-M99 HydrophobicContact CZ2-SD 3.97Å; W55-M99 HydrophobicContact CZ3-CB 3.95Å; W55-M99 HydrophobicContact CZ3-CG 3.95Å; W55-M99 WeakPolarHBondContact O-CG 3.4Å; V56-M99 PolarHBondContact O-N 2.88Å; M99-V102 HydrophobicContact CB-CG2 4.15Å; M99-S113 WeakPolarHBondContact CB-OG 3.5Å; M99-N115 HydrophobicContact CE-CB 4.18Å; M99-N115 HydrophobicContact SD-CB 3.7Å; M99-F217 HydrophobicContact CE-CZ 4.42Å
100E95.8Very high95.4Very high97 Ų9755.2 Ų55.245%0.45327%0.271SS..EExtended strand (participates in β ladder)trans-116.4167.2177.9-68.5-172.2-172.400111V102 S113 V114 P116E100-V102 PolarHBondContact O-N 3.34Å; E100-S113 WeakPolarHBondContact O-CA 3.32Å; E100-S113 PolarHBondContact O-OG 3.25Å; E100-V114 HydrophobicContact CB-CG2 4.02Å; E100-V114 PolarHBondContact N-O 2.83Å; E100-V114 PolarHBondContact O-N 2.69Å; E100-P116 HydrophobicContact CB-CG 4.12Å; E100-P116 HydrophobicContact CG-CG 3.7Å
101Q95.9Very high95.4Very high132 Ų13253.8 Ų53.862%0.61726%0.262SS*.EExtended strand (participates in β ladder)trans53.142.6178.7-50.4-178.619.800112.5V103 V114Q101-V103 PolarHBondContact O-N 2.93Å; Q101-V114 HydrophobicContact CB-CG2 4.1Å; Q101-V114 HydrophobicContact CG-CG2 3.91Å
102V96.7Very high95.3Very high46 Ų4654 Ų5428%0.27926%0.263SS..EExtended strand (participates in β ladder)trans-73.9111.5-175-174.70000110.3F52 W55 V56 M99 E100 F104 V111 A112F52-V102 HydrophobicContact CE2-CG1 3.88Å; F52-V102 HydrophobicContact CZ-CG1 3.83Å; W55-V102 HydrophobicContact CZ3-CG1 4.05Å; W55-V102 HydrophobicContact CZ3-CG2 4.14Å; V56-V102 HydrophobicContact CG2-CG2 4.38Å; M99-V102 HydrophobicContact CB-CG2 4.15Å; E100-V102 PolarHBondContact O-N 3.34Å; V102-F104 HydrophobicContact CG1-CE2 4.49Å; V102-V111 HydrophobicContact CG1-CG2 3.47Å; V102-V111 VanDerWaalsContact CG1-CG2 3.47Å; V102-A112 CarbonylContact C-O 3.6Å; V102-A112 WeakPolarHBondContact CA-O 3.18Å
103V96.9Very high95.2Very high81 Ų8154 Ų5449%0.49126%0.264SS..EExtended strand (participates in β ladder)trans-126.7115.4-177.5-178.50000110.5Q101 V111 A112Q101-V103 PolarHBondContact O-N 2.93Å; V103-V111 WeakPolarHBondContact O-CA 3.41Å; V103-A112 PolarHBondContact N-O 2.91Å; V103-A112 PolarHBondContact O-N 3.13Å
104F96.9Very high95.2Very high63 Ų6354.2 Ų54.228%0.27627%0.266SS..EExtended strand (participates in β ladder)trans-75.3138.5174.1-71.3-81.4000111.6L45 N47 F52 V102 V111 T219L45-F104 VanDerWaalsContact O-CE1 3.32Å; L45-F104 WeakPolarHBondContact O-CE1 3.26Å; N47-F104 WeakPolarHBondContact OD1-CE2 3.46Å; F52-F104 AromaticContact CD2-CZ 3.95Å; F52-F104 HydrophobicContact CD2-CZ 3.95Å; F52-F104 HydrophobicContact CE2-CE1 4.42Å; F52-F104 AromaticContact CE2-CE2 3.95Å; F52-F104 HydrophobicContact CE2-CE2 3.95Å; F52-F104 AromaticContact CE2-CZ 3.43Å; F52-F104 HydrophobicContact CE2-CZ 3.43Å; F52-F104 VanDerWaalsContact CE2-CZ 3.43Å; F52-F104 AromaticContact CZ-CE2 3.81Å; F52-F104 HydrophobicContact CZ-CE2 3.81Å; F52-F104 AromaticContact CZ-CZ 3.75Å; F52-F104 HydrophobicContact CZ-CZ 3.75Å; V102-F104 HydrophobicContact CG1-CE2 4.49Å; F104-V111 HydrophobicContact CD1-CB 3.97Å; F104-V111 HydrophobicContact CD1-CG2 4.11Å; F104-V111 HydrophobicContact CE1-CB 4.03Å; F104-V111 HydrophobicContact CE1-CG2 4.06Å; F104-V111 HydrophobicContact CG-CG2 4.44Å; F104-V111 HydrophobicContact CZ-CG2 4.35Å; F104-T219 HydrophobicContact CD1-CG2 4.34Å; F104-T219 HydrophobicContact CE1-CG2 4.18Å
105Q93.8Very high95Very high77 Ų7750.5 Ų50.536%0.3625%0.252SS..EExtended strand (participates in β ladder)trans-129.6168.8179.1-59.1-171.815.200110.7N107 G108 T109 R110Q105-N107 VanDerWaalsContact C-N 3.35Å; Q105-N107 PolarHBondContact O-N 3.42Å; Q105-G108 WeakPolarHBondContact O-CA 3.49Å; Q105-G108 PolarHBondContact O-N 2.92Å; Q105-T109 PolarHBondContact O-N 2.86Å; Q105-R110 HydrophobicContact CB-CB 4.47Å; Q105-R110 PolarHBondContact N-O 3.03Å; Q105-R110 PolarHBondContact O-N 3.02Å
106E88.5Confident95Very high103 Ų10350.9 Ų50.948%0.48126%0.255SS..G310 helixtrans51.946.4173.9-65-178.1-171.200114G108 T109 R110E106-G108 PolarHBondContact O-N 3.25Å; E106-T109 WeakPolarHBondContact CB-OG1 3.31Å; E106-T109 PolarHBondContact O-N 2.93Å; E106-T109 PolarHBondContact O-OG1 3.23Å; E106-T109 PolarHBondContact OE2-OG1 3.36Å; E106-R110 WeakPolarHBondContact OE1-CD 3.5Å; E106-R110 IonicContact OE1-CZ 3.99Å; E106-R110 IonicContact OE1-NE 3.06Å; E106-R110 PolarHBondContact OE1-NE 3.06Å; E106-R110 IonicContact OE1-NH1 2.72Å; E106-R110 PolarHBondContact OE1-NH1 2.96Å; E106-R110 VanDerWaalsContact OE2-CD 3.27Å; E106-R110 WeakPolarHBondContact OE2-CD 3.47Å; E106-R110 IonicContact OE2-CZ 3.43Å; E106-R110 IonicContact OE2-NE 2.68Å; E106-R110 PolarHBondContact OE2-NE 3.48Å
107N88.8Confident95Very high167 Ų16747.6 Ų47.689%0.89324%0.243SC*.G310 helixtrans57.628.5-175.5-59.9-31.9000114.3Q105Q105-N107 VanDerWaalsContact C-N 3.35Å; Q105-N107 PolarHBondContact O-N 3.42Å
108G89.8Confident95.1Very high14 Ų1448.1 Ų48.114%0.14425%0.25CC..G310 helixtrans92.47.7175.100000115.1Q105 E106 R110 T219 Q221Q105-G108 WeakPolarHBondContact O-CA 3.49Å; Q105-G108 PolarHBondContact O-N 2.92Å; E106-G108 PolarHBondContact O-N 3.25Å; G108-R110 VanDerWaalsContact C-N 3.34Å; G108-T219 WeakPolarHBondContact O-CB 3.25Å; G108-T219 WeakPolarHBondContact O-CG2 3.44Å; G108-T219 PolarHBondContact O-OG1 2.63Å; G108-Q221 PolarHBondContact O-OE1 3.37Å; G108-Q221 VanDerWaalsContact O-OE1 3.08Å
109T95.2Very high95.2Very high18 Ų1847.3 Ų47.311%0.1124%0.242CC..THydrogen-bonded Turntrans-77.5-23175.158.10000112.7Q105 E106 T219 Q222Q105-T109 PolarHBondContact O-N 2.86Å; E106-T109 WeakPolarHBondContact CB-OG1 3.31Å; E106-T109 PolarHBondContact O-N 2.93Å; E106-T109 PolarHBondContact O-OG1 3.23Å; E106-T109 PolarHBondContact OE2-OG1 3.36Å; T109-T219 PolarHBondContact O-N 3.03Å; T109-T219 PolarHBondContact O-OG1 2.99Å; T109-Q222 HydrophobicContact CG2-CG 3.83Å
110R96.9Very high95.3Very high51 Ų5150.4 Ų50.419%0.19226%0.258CS..EExtended strand (participates in β ladder)trans-129.2153.5178.1-59.3-176.5-171.3-151.6-32.2111.7Q105 E106 G108 M216 F217 F218 D231Q105-R110 HydrophobicContact CB-CB 4.47Å; Q105-R110 PolarHBondContact N-O 3.03Å; Q105-R110 PolarHBondContact O-N 3.02Å; E106-R110 WeakPolarHBondContact OE1-CD 3.5Å; E106-R110 IonicContact OE1-CZ 3.99Å; E106-R110 IonicContact OE1-NE 3.06Å; E106-R110 PolarHBondContact OE1-NE 3.06Å; E106-R110 IonicContact OE1-NH1 2.72Å; E106-R110 PolarHBondContact OE1-NH1 2.96Å; E106-R110 VanDerWaalsContact OE2-CD 3.27Å; E106-R110 WeakPolarHBondContact OE2-CD 3.47Å; E106-R110 IonicContact OE2-CZ 3.43Å; E106-R110 IonicContact OE2-NE 2.68Å; E106-R110 PolarHBondContact OE2-NE 3.48Å; G108-R110 VanDerWaalsContact C-N 3.34Å; R110-M216 HydrophobicContact CB-CG 4.33Å; R110-F217 CarbonylContact C-O 3.5Å; R110-F217 VanDerWaalsContact CA-O 3.24Å; R110-F217 WeakPolarHBondContact CA-O 3.34Å; R110-F218 HydrophobicContact CG-CD1 4.4Å; R110-D231 IonicContact CZ-OD1 3.33Å; R110-D231 IonicContact CZ-OD2 3.12Å; R110-D231 IonicContact NE-OD2 3.45Å; R110-D231 IonicContact NH1-OD2 3.04Å; R110-D231 PolarHBondContact NH1-OD2 2.88Å; R110-D231 IonicContact NH2-OD1 2.66Å; R110-D231 PolarHBondContact NH2-OD1 3.16Å; R110-D231 IonicContact NH2-OD2 2.68Å; R110-D231 PolarHBondContact NH2-OD2 3.01Å; R110-D231 VanDerWaalsContact NH2-OD2 3.11Å
111V97.4Very high95.4Very high0 Ų048 Ų480%025%0.246CC..EExtended strand (participates in β ladder)trans-138.6124.8175.562.30000110.1L45 W55 V102 V103 F104 F217 T219L45-V111 HydrophobicContact CB-CG1 4.49Å; L45-V111 HydrophobicContact CD1-CG1 3.81Å; W55-V111 HydrophobicContact CH2-CG1 4.3Å; W55-V111 HydrophobicContact CH2-CG2 4.43Å; V102-V111 HydrophobicContact CG1-CG2 3.47Å; V102-V111 VanDerWaalsContact CG1-CG2 3.47Å; V103-V111 WeakPolarHBondContact O-CA 3.41Å; F104-V111 HydrophobicContact CD1-CB 3.97Å; F104-V111 HydrophobicContact CD1-CG2 4.11Å; F104-V111 HydrophobicContact CE1-CB 4.03Å; F104-V111 HydrophobicContact CE1-CG2 4.06Å; F104-V111 HydrophobicContact CG-CG2 4.44Å; F104-V111 HydrophobicContact CZ-CG2 4.35Å; V111-F217 HydrophobicContact CG1-CB 3.93Å; V111-F217 PolarHBondContact N-O 3.02Å; V111-F217 PolarHBondContact O-N 3.04Å; V111-T219 HydrophobicContact CB-CG2 4.15Å; V111-T219 HydrophobicContact CG1-CG2 4.03Å
112A97.6Very high95.5Very high5 Ų543.7 Ų43.74%0.04123%0.226CC..EExtended strand (participates in β ladder)trans-90.7141.8172.900000109.8V102 V103 Y215V102-A112 CarbonylContact C-O 3.6Å; V102-A112 WeakPolarHBondContact CA-O 3.18Å; V103-A112 PolarHBondContact N-O 2.91Å; V103-A112 PolarHBondContact O-N 3.13Å; A112-Y215 CarbonylContact C-O 3.48Å; A112-Y215 VanDerWaalsContact CA-O 3.3Å; A112-Y215 WeakPolarHBondContact CA-O 3.47Å
113S97.4Very high95.6Very high2 Ų247.1 Ų47.11%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-164.8160.2177.3-175.80000111.8M99 E100 Y215M99-S113 WeakPolarHBondContact CB-OG 3.5Å; E100-S113 WeakPolarHBondContact O-CA 3.32Å; E100-S113 PolarHBondContact O-OG 3.25Å; S113-Y215 PolarHBondContact N-O 2.9Å; S113-Y215 PolarHBondContact O-N 2.82Å
114V97.1Very high95.6Very high7 Ų749.6 Ų49.64%0.04225%0.245CC..EExtended strand (participates in β ladder)trans-113.1150.7167.6-67.70000109.8E100 Q101 P116 N211 E214E100-V114 HydrophobicContact CB-CG2 4.02Å; E100-V114 PolarHBondContact N-O 2.83Å; E100-V114 PolarHBondContact O-N 2.69Å; Q101-V114 HydrophobicContact CB-CG2 4.1Å; Q101-V114 HydrophobicContact CG-CG2 3.91Å; V114-P116 VanDerWaalsContact C-CD 3.49Å; V114-P116 VanDerWaalsContact O-CD 3.25Å; V114-P116 WeakPolarHBondContact O-CD 3.32Å; V114-N211 HydrophobicContact CB-CB 4.01Å; V114-E214 HydrophobicContact CG1-CB 4.2Å; V114-E214 HydrophobicContact CG1-CG 4.49Å
115N94.9Very high95.7Very high7 Ų750.1 Ų50.14%0.03725%0.249CC..  trans-116.977.4179.1-166.8-147.5000111.8R97 P98 M99R97-N115 PolarHBondContact O-ND2 3.17Å; P98-N115 PolarHBondContact O-ND2 3.21Å; P98-N115 VanDerWaalsContact O-ND2 3.11Å; M99-N115 HydrophobicContact CE-CB 4.18Å; M99-N115 HydrophobicContact SD-CB 3.7Å
116P95.2Very high95.9Very high13 Ų1347.1 Ų47.18%0.08424%0.236CC..  trans-64.7137.1178.925.5-32.8000111.5R97 P98 E100 V114 S210 N211R97-P116 WeakPolarHBondContact CA-O 3.48Å; P98-P116 WeakPolarHBondContact O-CD 3.44Å; E100-P116 HydrophobicContact CB-CG 4.12Å; E100-P116 HydrophobicContact CG-CG 3.7Å; V114-P116 VanDerWaalsContact C-CD 3.49Å; V114-P116 VanDerWaalsContact O-CD 3.25Å; V114-P116 WeakPolarHBondContact O-CD 3.32Å; P116-S210 CarbonylContact C-O 3.55Å; P116-S210 WeakPolarHBondContact CA-O 3.29Å; P116-N211 HydrophobicContact CB-CB 4.37Å
117K94.9Very high96.3Very high25 Ų2547.7 Ų47.711%0.10924%0.239CC..BIsolated β-bridgetrans-114.7128.2-179.1-59.1-176.6-175.3176.70110.5Y96 R97 Y119 A209 S210Y96-K117 CarbonylContact O-C 3.58Å; Y96-K117 WeakPolarHBondContact O-CA 3.41Å; R97-K117 HydrophobicContact CB-CG 4.03Å; K117-Y119 HydrophobicContact CB-CE2 3.99Å; K117-Y119 WeakPolarHBondContact CD-OH 3.47Å; K117-A209 WeakPolarHBondContact O-CA 3.3Å; K117-A209 PolarHBondContact O-N 3.46Å; K117-S210 PolarHBondContact N-O 2.84Å
118T96.4Very high96.8Very high50 Ų5039.9 Ų39.931%0.30720%0.198SC..EExtended strand (participates in β ladder)trans-118.2134.3174.6-57.60000109.9E95 Y96 I120 N208E95-T118 CarbonylContact C-O 3.26Å; E95-T118 WeakPolarHBondContact CA-O 3.27Å; Y96-T118 PolarHBondContact N-O 2.92Å; Y96-T118 PolarHBondContact O-N 2.82Å; T118-I120 HydrophobicContact CG2-CG1 4.48Å; T118-N208 WeakPolarHBondContact CA-OD1 3.41Å
119Y97.1Very high97.2Very high22 Ų2241.4 Ų41.49%0.08621%0.205CC..EExtended strand (participates in β ladder)trans-114.4121.4-175.9-54.8-83.5000110.5M64 R94 E95 K117 W180 N208M64-Y119 HydrophobicContact SD-CD1 3.97Å; M64-Y119 HydrophobicContact SD-CE1 3.37Å; M64-Y119 WeakPolarHBondContact SD-CE1 3.15Å; R94-Y119 WeakPolarHBondContact O-CA 2.98Å; E95-Y119 HydrophobicContact CB-CD1 4.34Å; E95-Y119 HydrophobicContact CB-CE1 4.35Å; E95-Y119 HydrophobicContact CG-CD1 4.38Å; E95-Y119 HydrophobicContact CG-CE1 4.01Å; K117-Y119 HydrophobicContact CB-CE2 3.99Å; K117-Y119 WeakPolarHBondContact CD-OH 3.47Å; Y119-W180 HydrophobicContact CD1-CH2 4.33Å; Y119-W180 AromaticContact CD2-CH2 3.6Å; Y119-W180 HydrophobicContact CD2-CH2 3.6Å; Y119-W180 AromaticContact CD2-CZ3 3.79Å; Y119-W180 HydrophobicContact CD2-CZ3 3.79Å; Y119-W180 HydrophobicContact CE2-CH2 4.36Å; Y119-W180 HydrophobicContact CE2-CZ3 4.34Å; Y119-W180 AromaticContact CG-CH2 3.57Å; Y119-W180 HydrophobicContact CG-CH2 3.57Å; Y119-W180 HydrophobicContact CG-CZ2 4.42Å; Y119-W180 HydrophobicContact CG-CZ3 4.25Å; Y119-N208 HydrophobicContact CD2-CB 4.36Å; Y119-N208 PolarHBondContact N-OD1 2.75Å
120I97.9Very high97.3Very high79 Ų7943.4 Ų43.441%0.40521%0.214SC..EExtended strand (participates in β ladder)trans-116114179.1-52.3-171.9000109.6Y93 R94 Y96 T118 Q122Y93-I120 CarbonylContact C-O 3.51Å; Y93-I120 WeakPolarHBondContact CA-O 3.44Å; R94-I120 PolarHBondContact N-O 3.34Å; R94-I120 PolarHBondContact O-N 3.5Å; Y96-I120 HydrophobicContact CD2-CD1 4.02Å; Y96-I120 HydrophobicContact CD2-CG1 4.27Å; Y96-I120 HydrophobicContact CE2-CD1 3.55Å; Y96-I120 HydrophobicContact CE2-CG1 4.09Å; T118-I120 HydrophobicContact CG2-CG1 4.48Å; I120-Q122 PolarHBondContact O-N 2.76Å; I120-Q122 PolarHBondContact O-NE2 3.08Å
121F98.4Very high97.4Very high46 Ų4644.8 Ų44.820%0.20223%0.231CC..EExtended strand (participates in β ladder)trans-58.6134.3-178.2-174.8-119.9000112.4Y91 T92 Y93 R123 S126 G128 E130Y91-F121 HydrophobicContact CD1-CE2 4.47Å; T92-F121 WeakPolarHBondContact O-CD2 3.29Å; Y93-F121 HydrophobicContact CD1-CB 3.85Å; Y93-F121 HydrophobicContact CD1-CD2 4.21Å; Y93-F121 HydrophobicContact CD2-CD2 4.29Å; Y93-F121 HydrophobicContact CE1-CB 3.6Å; Y93-F121 AromaticContact CE1-CD2 3.76Å; Y93-F121 HydrophobicContact CE1-CD2 3.76Å; Y93-F121 HydrophobicContact CE1-CG 4.09Å; Y93-F121 AromaticContact CE2-CD2 3.86Å; Y93-F121 HydrophobicContact CE2-CD2 3.86Å; Y93-F121 HydrophobicContact CE2-CE2 4.41Å; Y93-F121 HydrophobicContact CG-CD2 4.45Å; Y93-F121 AromaticContact CZ-CD2 3.57Å; F121-R123 HydrophobicContact CD1-CB 4.32Å; F121-R123 HydrophobicContact CE1-CB 3.81Å; F121-R123 HydrophobicContact CE1-CG 4.42Å; F121-S126 VanDerWaalsContact CE2-OG 3.24Å; F121-S126 WeakPolarHBondContact CE2-OG 3.13Å; F121-G128 WeakPolarHBondContact CZ-O 3.06Å; F121-E130 HydrophobicContact CD1-CG 4.05Å; F121-E130 HydrophobicContact CD2-CG 3.95Å; F121-E130 HydrophobicContact CE1-CG 4.09Å; F121-E130 HydrophobicContact CE2-CG 3.98Å; F121-E130 HydrophobicContact CG-CG 3.99Å; F121-E130 HydrophobicContact CZ-CG 4.05Å
122Q98.4Very high97.4Very high42 Ų4247.1 Ų47.120%0.19624%0.243CC..  trans-113.590.3179.3-57.4-59.9-63.900108.9Y63 T92 R94 I120 D124 M125 S126Y63-Q122 HydrophobicContact CE1-CG 4.34Å; T92-Q122 HydrophobicContact CG2-CB 4.2Å; T92-Q122 HydrophobicContact CG2-CG 4.44Å; T92-Q122 PolarHBondContact O-N 2.92Å; R94-Q122 HydrophobicContact CB-CG 4.05Å; I120-Q122 PolarHBondContact O-N 2.76Å; I120-Q122 PolarHBondContact O-NE2 3.08Å; Q122-D124 VanDerWaalsContact C-N 3.28Å; Q122-D124 PolarHBondContact O-N 2.85Å; Q122-M125 HydrophobicContact CB-CB 4.07Å; Q122-M125 HydrophobicContact CB-CG 4.33Å; Q122-M125 HydrophobicContact CB-SD 4.39Å; Q122-M125 PolarHBondContact O-N 3.22Å; Q122-S126 WeakPolarHBondContact O-CB 3.28Å; Q122-S126 PolarHBondContact O-N 2.85Å; Q122-S126 PolarHBondContact O-OG 2.88Å
123R97.8Very high97.5Very high118 Ų11852.3 Ų52.345%0.44527%0.27SS..G310 helixtrans-61.6-37.4-175.5178.162.5-163.5101.4-10112.4F121 M125 S126 Q127 G128F121-R123 HydrophobicContact CD1-CB 4.32Å; F121-R123 HydrophobicContact CE1-CB 3.81Å; F121-R123 HydrophobicContact CE1-CG 4.42Å; R123-M125 VanDerWaalsContact C-N 3.27Å; R123-M125 PolarHBondContact O-N 3.47Å; R123-S126 PolarHBondContact NH1-O 3.13Å; R123-S126 PolarHBondContact O-N 3.45Å; R123-Q127 PolarHBondContact NH2-O 2.85Å; R123-G128 VanDerWaalsContact CZ-C 3.41Å; R123-G128 PolarHBondContact NH1-O 3.46Å
124D98Very high97.5Very high133 Ų13352.2 Ų52.271%0.71127%0.269SS*.G310 helixtrans-66.6-25.7179.462.1-41.9000113.5Q122Q122-D124 VanDerWaalsContact C-N 3.28Å; Q122-D124 PolarHBondContact O-N 2.85Å
125M98.1Very high97.6Very high74 Ų7455.8 Ų55.837%0.36528%0.282SS..G310 helixtrans-100.59.9176.1-59.7-178.667.800113.2Y63 T92 Q122 R123Y63-M125 HydrophobicContact CD1-CE 4.08Å; Y63-M125 HydrophobicContact CD1-SD 4.13Å; Y63-M125 HydrophobicContact CE1-CE 3.93Å; Y63-M125 HydrophobicContact CE1-SD 3.57Å; Y63-M125 VanDerWaalsContact CE1-SD 3.57Å; Y63-M125 HydrophobicContact CG-CE 4.48Å; T92-M125 WeakPolarHBondContact CB-O 3.39Å; T92-M125 HydrophobicContact CG2-CB 3.86Å; T92-M125 HydrophobicContact CG2-CE 4.28Å; T92-M125 HydrophobicContact CG2-SD 4.38Å; T92-M125 PolarHBondContact OG1-O 3.16Å; Q122-M125 HydrophobicContact CB-CB 4.07Å; Q122-M125 HydrophobicContact CB-CG 4.33Å; Q122-M125 HydrophobicContact CB-SD 4.39Å; Q122-M125 PolarHBondContact O-N 3.22Å; R123-M125 VanDerWaalsContact C-N 3.27Å; R123-M125 PolarHBondContact O-N 3.47Å
126S98.6Very high97.8Very high13 Ų1355.5 Ų55.59%0.09128%0.28CS..SBendtrans-115.7148.8-175.9-59.70000111.8P90 T92 F121 Q122 R123P90-S126 CarbonylContact O-C 3.51Å; P90-S126 VanDerWaalsContact O-CA 3.25Å; P90-S126 WeakPolarHBondContact O-CA 3.27Å; T92-S126 PolarHBondContact N-OG 2.98Å; F121-S126 VanDerWaalsContact CE2-OG 3.24Å; F121-S126 WeakPolarHBondContact CE2-OG 3.13Å; Q122-S126 WeakPolarHBondContact O-CB 3.28Å; Q122-S126 PolarHBondContact O-N 2.85Å; Q122-S126 PolarHBondContact O-OG 2.88Å; R123-S126 PolarHBondContact NH1-O 3.13Å; R123-S126 PolarHBondContact O-N 3.45Å
127Q97.4Very high97.9Very high115 Ų11555 Ų5554%0.53728%0.277SS..SBendtrans-61.8-45.6174.9-176.1-179.70.300111G89 P90 R123G89-Q127 PolarHBondContact O-OE1 2.93Å; P90-Q127 PolarHBondContact O-N 2.81Å; R123-Q127 PolarHBondContact NH2-O 2.85Å
128G97.4Very high98.1Very high4 Ų454.1 Ų54.14%0.04127%0.274CS..SBendtrans-141.1178.3-176.100000113.4F121 R123 D132F121-G128 WeakPolarHBondContact CZ-O 3.06Å; R123-G128 VanDerWaalsContact CZ-C 3.41Å; R123-G128 PolarHBondContact NH1-O 3.46Å; G128-D132 WeakPolarHBondContact CA-OD2 3.5Å
129P98.2Very high98.1Very high45 Ų4551.9 Ų51.929%0.29226%0.26SS..  trans-73.316417033.7-37000112.3Y91 S131 D132Y91-P129 WeakPolarHBondContact CE1-O 3.44Å; P129-S131 VanDerWaalsContact CG-OG 3.3Å; P129-S131 WeakPolarHBondContact CG-OG 3.34Å; P129-S131 PolarHBondContact O-N 3.14Å; P129-D132 WeakPolarHBondContact CD-OD1 3.28Å; P129-D132 PolarHBondContact O-N 3.24Å; P129-D132 VanDerWaalsContact O-N 3.13Å
130E97.8Very high98.1Very high61 Ų6151 Ų5129%0.28526%0.256SS..THydrogen-bonded Turntrans-61.9-15.4174.5-63.9-178.394.900113.6Y93 F121 D132 T174 V175 G176 W180Y93-E130 WeakPolarHBondContact CE1-OE1 3.49Å; Y93-E130 WeakPolarHBondContact OH-CG 3.42Å; Y93-E130 PolarHBondContact OH-OE1 2.89Å; F121-E130 HydrophobicContact CD1-CG 4.05Å; F121-E130 HydrophobicContact CD2-CG 3.95Å; F121-E130 HydrophobicContact CE1-CG 4.09Å; F121-E130 HydrophobicContact CE2-CG 3.98Å; F121-E130 HydrophobicContact CG-CG 3.99Å; F121-E130 HydrophobicContact CZ-CG 4.05Å; E130-D132 VanDerWaalsContact C-N 3.27Å; E130-D132 PolarHBondContact O-N 3.11Å; E130-T174 WeakPolarHBondContact O-CB 3.39Å; E130-V175 WeakPolarHBondContact O-CB 3.34Å; E130-V175 PolarHBondContact O-N 3.24Å; E130-V175 VanDerWaalsContact O-N 3.1Å; E130-G176 PolarHBondContact O-N 3.21Å; E130-W180 PolarHBondContact OE1-NE1 3.31Å
131S98.4Very high98Very high79 Ų7947.2 Ų47.255%0.55224%0.237SC*.THydrogen-bonded Turntrans-79.9-2.817763.40000114.2P129P129-S131 VanDerWaalsContact CG-OG 3.3Å; P129-S131 WeakPolarHBondContact CG-OG 3.34Å; P129-S131 PolarHBondContact O-N 3.14Å
132D98.6Very high97.9Very high50 Ų5045 Ų4527%0.26723%0.227SC..  trans-61.6139.3175.3-78.9-8.6000110.8Y91 G128 P129 E130 T174 V175Y91-D132 HydrophobicContact CE1-CB 4.16Å; Y91-D132 WeakPolarHBondContact OH-CB 3.29Å; Y91-D132 PolarHBondContact OH-OD2 2.91Å; G128-D132 WeakPolarHBondContact CA-OD2 3.5Å; P129-D132 WeakPolarHBondContact CD-OD1 3.28Å; P129-D132 PolarHBondContact O-N 3.24Å; P129-D132 VanDerWaalsContact O-N 3.13Å; E130-D132 VanDerWaalsContact C-N 3.27Å; E130-D132 PolarHBondContact O-N 3.11Å; D132-T174 CarbonylContact O-C 3.58Å; D132-T174 VanDerWaalsContact O-CA 3.22Å; D132-T174 WeakPolarHBondContact O-CA 3.45Å; D132-V175 HydrophobicContact CB-CG2 4.3Å; D132-V175 PolarHBondContact O-N 3.42Å
133L98.6Very high97.8Very high113 Ų11344.2 Ų44.259%0.59223%0.226SC*.EExtended strand (participates in β ladder)trans-90.2130.7-175.4-65172.3000111.5T172 T174L133-T172 HydrophobicContact CB-CG2 4Å; L133-T172 HydrophobicContact CD2-CG2 4.34Å; L133-T174 HydrophobicContact CD2-CG2 3.94Å
134I98.8Very high97.6Very high0 Ų038.8 Ų38.80%021%0.205CC..EExtended strand (participates in β ladder)trans-120.4124.3174.7-55.8-60.1000108.7F68 I88 T172 H173 V175 L178F68-I134 HydrophobicContact CB-CD1 3.78Å; F68-I134 HydrophobicContact CB-CG1 3.98Å; F68-I134 HydrophobicContact CB-CG2 3.95Å; F68-I134 HydrophobicContact CD1-CG1 4.26Å; F68-I134 HydrophobicContact CD1-CG2 4Å; F68-I134 HydrophobicContact CD2-CG1 4.42Å; F68-I134 HydrophobicContact CG-CD1 4.25Å; F68-I134 HydrophobicContact CG-CG1 3.96Å; F68-I134 HydrophobicContact CG-CG2 4.24Å; I88-I134 HydrophobicContact CB-CD1 4.08Å; I88-I134 HydrophobicContact CD1-CD1 3.83Å; I88-I134 HydrophobicContact CG1-CD1 4.42Å; I88-I134 HydrophobicContact CG2-CD1 4.23Å; I134-T172 WeakPolarHBondContact O-CA 3.35Å; I134-H173 PolarHBondContact N-O 3.43Å; I134-H173 PolarHBondContact O-N 2.9Å; I134-H173 VanDerWaalsContact O-N 3.11Å; I134-V175 HydrophobicContact CD1-CG2 4.26Å; I134-V175 HydrophobicContact CG1-CG2 3.71Å; I134-L178 HydrophobicContact CB-CD1 3.68Å; I134-L178 HydrophobicContact CG1-CD1 4.34Å; I134-L178 HydrophobicContact CG2-CD1 3.88Å
135R98.8Very high97.4Very high82 Ų8232.5 Ų32.531%0.30917%0.172SC..EExtended strand (participates in β ladder)trans-94.2119.3170.5-175.6168.261.8-1741.5109.6N70 L71 T72 T171 T172N70-R135 WeakPolarHBondContact OD1-CB 3.4Å; N70-R135 PolarHBondContact OD1-N 3.36Å; N70-R135 PolarHBondContact OD1-O 3.14Å; L71-R135 HydrophobicContact CB-CG 4.5Å; L71-R135 WeakPolarHBondContact CB-O 3.37Å; L71-R135 PolarHBondContact N-O 3.22Å; L71-R135 VanDerWaalsContact O-CZ 3.26Å; L71-R135 PolarHBondContact O-NE 3.44Å; L71-R135 PolarHBondContact O-NH2 3.07Å; T72-R135 VanDerWaalsContact C-NH2 3.34Å; T72-R135 PolarHBondContact O-NH2 3.3Å; R135-T171 CarbonylContact C-O 3.5Å; R135-T171 VanDerWaalsContact CA-O 3.31Å; R135-T171 WeakPolarHBondContact CA-O 3.48Å; R135-T172 HydrophobicContact CB-CG2 4.45Å; R135-T172 WeakPolarHBondContact CG-OG1 3.46Å
136T98.6Very high97.2Very high1 Ų130.3 Ų30.31%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-147.2-177.4-177.9-166.50000110.8F170 T171 L178 V413T136-F170 CarbonylContact O-C 3.54Å; T136-F170 VanDerWaalsContact O-CA 3.32Å; T136-F170 WeakPolarHBondContact O-CA 3.37Å; T136-T171 PolarHBondContact N-O 3.22Å; T136-T171 PolarHBondContact O-N 2.97Å; T136-T171 VanDerWaalsContact O-O 3.14Å; T136-L178 HydrophobicContact CG2-CD1 4.22Å; T136-L178 HydrophobicContact CG2-CD2 4.29Å; T136-V413 HydrophobicContact CG2-CG1 4.36Å
137V98.3Very high96.8Very high3 Ų336.2 Ų36.22%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-62.6138.117566.10000110.8I139 M142 L169 F170 V392 V394 F411 V413V137-I139 HydrophobicContact CG1-CG1 3.93Å; V137-I139 PolarHBondContact O-N 3.08Å; V137-M142 HydrophobicContact CG2-CG 3.65Å; V137-L169 WeakPolarHBondContact CA-O 3.17Å; V137-L169 HydrophobicContact CG2-CD1 4.04Å; V137-F170 HydrophobicContact CB-CD1 4.45Å; V137-V392 HydrophobicContact CG1-CB 3.8Å; V137-V392 HydrophobicContact CG1-CG1 4.04Å; V137-V392 HydrophobicContact CG1-CG2 3.67Å; V137-V392 HydrophobicContact CG2-CG1 4.3Å; V137-V394 HydrophobicContact CG2-CG2 3.92Å; V137-F411 HydrophobicContact CB-CD1 4.26Å; V137-F411 HydrophobicContact CB-CE1 4.5Å; V137-F411 HydrophobicContact CG1-CD1 4.12Å; V137-V413 HydrophobicContact CG1-CG2 3.86Å
138N98.1Very high96.5Very high7 Ų733.2 Ų33.24%0.03717%0.166CC..  trans-75.793.7172.3-174.1-27.5000108.7P140 A141 M142 L169 T171N138-P140 VanDerWaalsContact OD1-CD 3.29Å; N138-P140 WeakPolarHBondContact OD1-CD 3.39Å; N138-A141 HydrophobicContact CB-CB 3.84Å; N138-A141 PolarHBondContact O-N 3.19Å; N138-A141 WeakPolarHBondContact OD1-CB 3.24Å; N138-A141 PolarHBondContact OD1-N 3.13Å; N138-M142 PolarHBondContact O-N 2.94Å; N138-L169 PolarHBondContact N-O 2.78Å; N138-T171 HydrophobicContact CB-CG2 3.9Å
139I97.3Very high96.3Very high3 Ų335.9 Ų35.92%0.01518%0.177CC..Hα-helixtrans-63.5-44.3-176.4-59.3173.9000112V137 A141 M142 T143 F201 L203 I340 V392 V413V137-I139 HydrophobicContact CG1-CG1 3.93Å; V137-I139 PolarHBondContact O-N 3.08Å; I139-A141 PolarHBondContact O-N 3.11Å; I139-M142 PolarHBondContact O-N 3.01Å; I139-T143 WeakPolarHBondContact O-CB 3.5Å; I139-T143 PolarHBondContact O-N 3.16Å; I139-T143 PolarHBondContact O-OG1 3.05Å; I139-F201 HydrophobicContact CB-CE1 4.03Å; I139-F201 HydrophobicContact CB-CE2 3.86Å; I139-F201 HydrophobicContact CB-CZ 3.5Å; I139-F201 VanDerWaalsContact CB-CZ 3.5Å; I139-F201 HydrophobicContact CD1-CE1 4.11Å; I139-F201 HydrophobicContact CD1-CZ 3.59Å; I139-F201 HydrophobicContact CG1-CZ 4.07Å; I139-F201 HydrophobicContact CG2-CD2 4.45Å; I139-F201 HydrophobicContact CG2-CE2 3.49Å; I139-F201 VanDerWaalsContact CG2-CE2 3.49Å; I139-F201 HydrophobicContact CG2-CZ 3.55Å; I139-L203 HydrophobicContact CD1-CD2 3.89Å; I139-I340 HydrophobicContact CG2-CD1 4.17Å; I139-V392 HydrophobicContact CD1-CG2 3.9Å; I139-V392 HydrophobicContact CG1-CG2 3.75Å; I139-V413 HydrophobicContact CD1-CG1 4.35Å; I139-V413 HydrophobicContact CD1-CG2 4.3Å
140P96.4Very high95.9Very high2 Ų241.1 Ų41.11%0.01320%0.202CC..Hα-helixtrans-53.8-49171.4-31.137.6000113.6N138 T143 L144 D184 L187 F201N138-P140 VanDerWaalsContact OD1-CD 3.29Å; N138-P140 WeakPolarHBondContact OD1-CD 3.39Å; P140-T143 PolarHBondContact O-N 3.2Å; P140-L144 PolarHBondContact O-N 3.32Å; P140-D184 HydrophobicContact CB-CB 4.41Å; P140-D184 HydrophobicContact CG-CB 4.32Å; P140-L187 HydrophobicContact CB-CD1 3.91Å; P140-L187 HydrophobicContact CB-CD2 4.37Å; P140-L187 HydrophobicContact CB-CG 3.9Å; P140-L187 HydrophobicContact CG-CD1 4.11Å; P140-F201 HydrophobicContact CG-CB 3.52Å; P140-F201 HydrophobicContact CG-CD1 3.87Å; P140-F201 HydrophobicContact CG-CD2 3.89Å; P140-F201 HydrophobicContact CG-CG 3.45Å; P140-F201 VanDerWaalsContact CG-CG 3.45Å
141A96.6Very high95.7Very high0 Ų042.1 Ų42.10%021%0.21CC..Hα-helixtrans-60.3-49.8177.600000111.6N138 I139 T143 L144 M145 M162 I167 L186N138-A141 HydrophobicContact CB-CB 3.84Å; N138-A141 PolarHBondContact O-N 3.19Å; N138-A141 WeakPolarHBondContact OD1-CB 3.24Å; N138-A141 PolarHBondContact OD1-N 3.13Å; I139-A141 PolarHBondContact O-N 3.11Å; A141-T143 VanDerWaalsContact C-N 3.29Å; A141-T143 PolarHBondContact O-N 2.97Å; A141-L144 PolarHBondContact O-N 3.09Å; A141-M145 HydrophobicContact CB-CE 4.42Å; A141-M145 WeakPolarHBondContact O-CB 3.26Å; A141-M145 WeakPolarHBondContact O-CG 3.24Å; A141-M145 PolarHBondContact O-N 3.02Å; A141-M162 HydrophobicContact CB-CE 3.56Å; A141-I167 HydrophobicContact CB-CG2 4.45Å; A141-L186 HydrophobicContact CB-CD2 4.17Å
142M96.6Very high95.4Very high0 Ų041.3 Ų41.30%021%0.207CC..Hα-helixtrans-58.8-41.5177.3-80.8-56.7-54.500112.2V137 N138 I139 M145 E146 L169 P339 V392 I397V137-M142 HydrophobicContact CG2-CG 3.65Å; N138-M142 PolarHBondContact O-N 2.94Å; I139-M142 PolarHBondContact O-N 3.01Å; M142-M145 HydrophobicContact CG-CE 4.23Å; M142-M145 PolarHBondContact O-N 2.78Å; M142-M145 HydrophobicContact SD-CE 3.4Å; M142-M145 WeakPolarHBondContact SD-CE 3.26Å; M142-E146 HydrophobicContact CE-CG 4.31Å; M142-E146 WeakPolarHBondContact O-CB 3.35Å; M142-E146 WeakPolarHBondContact O-CG 3.23Å; M142-E146 PolarHBondContact O-N 3.03Å; M142-L169 HydrophobicContact CG-CD1 3.73Å; M142-L169 HydrophobicContact SD-CD1 3.19Å; M142-L169 WeakPolarHBondContact SD-CD1 3.32Å; M142-P339 HydrophobicContact CB-CG 4.36Å; M142-V392 HydrophobicContact CB-CG1 4.48Å; M142-V392 HydrophobicContact CG-CG1 4.48Å; M142-I397 HydrophobicContact CE-CD1 4.38Å
143T94.5Very high95Very high26 Ų2644.9 Ų44.916%0.1623%0.226CC..Hα-helixtrans-63-46.5179.8-58.40000111.6I139 P140 A141 E146 R147 A338I139-T143 WeakPolarHBondContact O-CB 3.5Å; I139-T143 PolarHBondContact O-N 3.16Å; I139-T143 PolarHBondContact O-OG1 3.05Å; P140-T143 PolarHBondContact O-N 3.2Å; A141-T143 VanDerWaalsContact C-N 3.29Å; A141-T143 PolarHBondContact O-N 2.97Å; T143-E146 PolarHBondContact O-N 3.09Å; T143-R147 VanDerWaalsContact O-CB 3.29Å; T143-R147 WeakPolarHBondContact O-CB 3.47Å; T143-R147 PolarHBondContact O-N 2.92Å; T143-A338 HydrophobicContact CG2-CB 4.06Å
144L93.8Very high94.7Very high4 Ų440.3 Ų40.32%0.02120%0.204CC..Hα-helixtrans-68.1-39.4177.1-73.2175.9000112.3P140 A141 R147 F148 L186 L187 A190 L197P140-L144 PolarHBondContact O-N 3.32Å; A141-L144 PolarHBondContact O-N 3.09Å; L144-R147 PolarHBondContact O-N 3.41Å; L144-F148 HydrophobicContact CD2-CD2 4.29Å; L144-F148 HydrophobicContact CD2-CE2 3.88Å; L144-F148 WeakPolarHBondContact O-CD2 3.49Å; L144-F148 PolarHBondContact O-N 3.43Å; L144-L186 HydrophobicContact CB-CD2 4.48Å; L144-L186 HydrophobicContact CD1-CB 4.41Å; L144-L186 HydrophobicContact CD1-CD2 3.63Å; L144-L186 HydrophobicContact CD1-CG 3.51Å; L144-L187 HydrophobicContact CD1-CD2 3.99Å; L144-L187 HydrophobicContact CG-CD2 4.23Å; L144-A190 HydrophobicContact CD1-CB 4Å; L144-A190 HydrophobicContact CD2-CB 4.18Å; L144-L197 HydrophobicContact CD2-CD1 4.21Å
145M94.8Very high94.4Very high0 Ų040.3 Ų40.30%020%0.204CC..Hα-helixtrans-61.8-45.5176.2-69.5-171.5-6600111.3A141 M142 F148 K149 M162 L169 I397 F400 Q402 T403A141-M145 HydrophobicContact CB-CE 4.42Å; A141-M145 WeakPolarHBondContact O-CB 3.26Å; A141-M145 WeakPolarHBondContact O-CG 3.24Å; A141-M145 PolarHBondContact O-N 3.02Å; M142-M145 HydrophobicContact CG-CE 4.23Å; M142-M145 PolarHBondContact O-N 2.78Å; M142-M145 HydrophobicContact SD-CE 3.4Å; M142-M145 WeakPolarHBondContact SD-CE 3.26Å; M145-F148 PolarHBondContact O-N 2.9Å; M145-K149 WeakPolarHBondContact O-CA 3.21Å; M145-K149 WeakPolarHBondContact O-CB 3.36Å; M145-K149 PolarHBondContact O-N 3.5Å; M145-M162 HydrophobicContact CG-SD 4.42Å; M145-M162 HydrophobicContact SD-CE 4.28Å; M145-M162 HydrophobicContact SD-SD 4.5Å; M145-L169 HydrophobicContact CE-CD1 4.41Å; M145-I397 HydrophobicContact CB-CD1 3.65Å; M145-F400 HydrophobicContact CB-CD1 4.34Å; M145-F400 HydrophobicContact CB-CD2 3.77Å; M145-F400 HydrophobicContact CB-CE1 4.38Å; M145-F400 HydrophobicContact CB-CE2 3.81Å; M145-F400 HydrophobicContact CB-CG 4.04Å; M145-F400 HydrophobicContact CB-CZ 4.12Å; M145-F400 HydrophobicContact CG-CB 4.16Å; M145-F400 HydrophobicContact CG-CD1 3.53Å; M145-F400 HydrophobicContact CG-CD2 3.85Å; M145-F400 HydrophobicContact CG-CE1 3.75Å; M145-F400 HydrophobicContact CG-CE2 4.05Å; M145-F400 HydrophobicContact CG-CG 3.57Å; M145-F400 HydrophobicContact CG-CZ 4Å; M145-F400 VanDerWaalsContact O-CE2 3.28Å; M145-F400 WeakPolarHBondContact O-CE2 3.24Å; M145-F400 HydrophobicContact SD-CB 3.54Å; M145-F400 VanDerWaalsContact SD-CB 3.54Å; M145-F400 HydrophobicContact SD-CD1 3.87Å; M145-F400 HydrophobicContact SD-CD2 4.32Å; M145-F400 HydrophobicContact SD-CG 3.66Å; M145-Q402 HydrophobicContact SD-CB 4.07Å; M145-T403 HydrophobicContact CE-CG2 4.01Å; M145-T403 HydrophobicContact SD-CG2 4Å
146E92.9Very high94.1Very high29 Ų2940.8 Ų40.814%0.13621%0.213CC..Hα-helixtrans-63.4-44.8175.7-74.8-59.1152.500112.4M142 T143 F148 K149 P339 I397M142-E146 HydrophobicContact CE-CG 4.31Å; M142-E146 WeakPolarHBondContact O-CB 3.35Å; M142-E146 WeakPolarHBondContact O-CG 3.23Å; M142-E146 PolarHBondContact O-N 3.03Å; T143-E146 PolarHBondContact O-N 3.09Å; E146-F148 VanDerWaalsContact C-N 3.28Å; E146-F148 PolarHBondContact O-N 3.18Å; E146-K149 WeakPolarHBondContact O-CG 3.2Å; E146-K149 WeakPolarHBondContact OE2-CD 3.44Å; E146-K149 VanDerWaalsContact OE2-CE 3.3Å; E146-K149 WeakPolarHBondContact OE2-CE 3.42Å; E146-K149 IonicContact OE2-NZ 2.89Å; E146-K149 PolarHBondContact OE2-NZ 3.34Å; E146-P339 HydrophobicContact CG-CB 4.4Å; E146-P339 HydrophobicContact CG-CG 4.22Å; E146-I397 HydrophobicContact CG-CD1 4.4Å; E146-I397 VanDerWaalsContact OE1-CD1 3.32Å; E146-I397 WeakPolarHBondContact OE1-CD1 3.4Å
147R90.9Very high93.8Very high136 Ų13646.1 Ų46.151%0.51324%0.241SC..Hα-helixtrans-61.6-35.1-179.8-174.7171.8-175.3-161.4-5.2112.9T143 L144 D194T143-R147 VanDerWaalsContact O-CB 3.29Å; T143-R147 WeakPolarHBondContact O-CB 3.47Å; T143-R147 PolarHBondContact O-N 2.92Å; L144-R147 PolarHBondContact O-N 3.41Å; R147-D194 IonicContact CZ-OD2 2.82Å; R147-D194 IonicContact NH1-OD2 2.74Å; R147-D194 PolarHBondContact NH1-OD2 2.73Å; R147-D194 IonicContact NH2-OD2 3Å; R147-D194 PolarHBondContact NH2-OD2 2.83Å
148F91.6Very high93.6Very high53 Ų5347.5 Ų47.523%0.23225%0.248CC..Hα-helixtrans-108.46.1-174.1-68.1-73000114.3L144 M145 E146 D150 N151 A154 I158L144-F148 HydrophobicContact CD2-CD2 4.29Å; L144-F148 HydrophobicContact CD2-CE2 3.88Å; L144-F148 WeakPolarHBondContact O-CD2 3.49Å; L144-F148 PolarHBondContact O-N 3.43Å; M145-F148 PolarHBondContact O-N 2.9Å; E146-F148 VanDerWaalsContact C-N 3.28Å; E146-F148 PolarHBondContact O-N 3.18Å; F148-D150 PolarHBondContact O-N 3.35Å; F148-D150 VanDerWaalsContact O-N 3.15Å; F148-N151 PolarHBondContact O-N 3.33Å; F148-A154 HydrophobicContact CB-CB 4.4Å; F148-A154 HydrophobicContact CD1-CB 3.9Å; F148-A154 HydrophobicContact CG-CB 4.37Å; F148-I158 HydrophobicContact CB-CD1 3.94Å; F148-I158 HydrophobicContact CD2-CD1 3.58Å; F148-I158 HydrophobicContact CE2-CD1 4.27Å; F148-I158 HydrophobicContact CG-CD1 3.81Å
149K91.9Very high93.5Very high60 Ų6047.1 Ų47.126%0.26125%0.246SC..THydrogen-bonded Turntrans-57.4-33.3-174.670-174.1-179.6-1730114.5M145 E146 E395 I397M145-K149 WeakPolarHBondContact O-CA 3.21Å; M145-K149 WeakPolarHBondContact O-CB 3.36Å; M145-K149 PolarHBondContact O-N 3.5Å; E146-K149 WeakPolarHBondContact O-CG 3.2Å; E146-K149 WeakPolarHBondContact OE2-CD 3.44Å; E146-K149 VanDerWaalsContact OE2-CE 3.3Å; E146-K149 WeakPolarHBondContact OE2-CE 3.42Å; E146-K149 IonicContact OE2-NZ 2.89Å; E146-K149 PolarHBondContact OE2-NZ 3.34Å; K149-E395 IonicContact NZ-OE1 3.76Å; K149-E395 PolarHBondContact NZ-OE1 2.88Å; K149-E395 VanDerWaalsContact NZ-OE1 3.12Å; K149-I397 HydrophobicContact CB-CG2 3.66Å
150D91.3Very high93.4Very high155 Ų15549 Ų4983%0.82926%0.262SS*.THydrogen-bonded Turntrans-86.9-8.3-178.5-60.1-43.5000113.6F148F148-D150 PolarHBondContact O-N 3.35Å; F148-D150 VanDerWaalsContact O-N 3.15Å
151N92.6Very high93.3Very high82 Ų8252.5 Ų52.544%0.43928%0.275SS..  trans-102.594.8174.8-175.9-27.3000110.3F148 L153 A154 A155F148-N151 PolarHBondContact O-N 3.33Å; N151-L153 VanDerWaalsContact C-N 3.29Å; N151-L153 PolarHBondContact O-N 3.22Å; N151-L153 PolarHBondContact OD1-N 3.38Å; N151-A154 HydrophobicContact CB-CB 4.04Å; N151-A154 PolarHBondContact O-N 3.48Å; N151-A154 PolarHBondContact OD1-N 3.23Å; N151-A154 VanDerWaalsContact OD1-N 3.15Å; N151-A155 VanDerWaalsContact O-CB 3.3Å; N151-A155 WeakPolarHBondContact O-CB 3.41Å; N151-A155 PolarHBondContact O-N 3.36Å
152A91.6Very high93.3Very high61 Ų6152.5 Ų52.550%0.50428%0.275SS..Hα-helixtrans-56.3-36.8-174.100000114.3N156A152-N156 VanDerWaalsContact O-CB 3.31Å; A152-N156 WeakPolarHBondContact O-CB 3.49Å; A152-N156 VanDerWaalsContact O-CG 3.25Å; A152-N156 PolarHBondContact O-N 3.1Å; A152-N156 VanDerWaalsContact O-N 3.09Å; A152-N156 PolarHBondContact O-ND2 3.43Å
153L91.3Very high93.3Very high125 Ų12558.8 Ų58.865%0.65430%0.299SS*.Hα-helixtrans-69.9-50.3179.5-173.8154.5000110.5N151 N156 L157N151-L153 VanDerWaalsContact C-N 3.29Å; N151-L153 PolarHBondContact O-N 3.22Å; N151-L153 PolarHBondContact OD1-N 3.38Å; L153-N156 PolarHBondContact O-N 3.3Å; L153-L157 HydrophobicContact CD2-CD1 3.59Å; L153-L157 HydrophobicContact CD2-CG 4.37Å; L153-L157 WeakPolarHBondContact O-CG 3.37Å; L153-L157 PolarHBondContact O-N 3.4Å; L153-L157 VanDerWaalsContact O-N 3.12Å
154A91.4Very high93.3Very high17 Ų1761.8 Ų61.814%0.1433%0.326CS..Hα-helixtrans-61.9-46.5178.400000111.2F148 N151 N156 L157 I158F148-A154 HydrophobicContact CB-CB 4.4Å; F148-A154 HydrophobicContact CD1-CB 3.9Å; F148-A154 HydrophobicContact CG-CB 4.37Å; N151-A154 HydrophobicContact CB-CB 4.04Å; N151-A154 PolarHBondContact O-N 3.48Å; N151-A154 PolarHBondContact OD1-N 3.23Å; N151-A154 VanDerWaalsContact OD1-N 3.15Å; A154-N156 PolarHBondContact O-N 2.86Å; A154-L157 PolarHBondContact O-N 3.03Å; A154-I158 WeakPolarHBondContact O-CB 3.47Å; A154-I158 VanDerWaalsContact O-CG1 3.24Å; A154-I158 WeakPolarHBondContact O-CG1 3.36Å; A154-I158 PolarHBondContact O-N 3.26Å
155A93.4Very high93.4Very high0 Ų064.9 Ų64.90%035%0.346CS..Hα-helixtrans-58.8-45.4179.100000112.4N151 L157 I158 S159 F400N151-A155 VanDerWaalsContact O-CB 3.3Å; N151-A155 WeakPolarHBondContact O-CB 3.41Å; N151-A155 PolarHBondContact O-N 3.36Å; A155-L157 PolarHBondContact O-N 3.08Å; A155-I158 PolarHBondContact O-N 3.28Å; A155-S159 WeakPolarHBondContact O-CB 3.29Å; A155-S159 PolarHBondContact O-N 2.87Å; A155-F400 HydrophobicContact CB-CE1 4.28Å; A155-F400 HydrophobicContact CB-CE2 3.71Å; A155-F400 HydrophobicContact CB-CZ 3.58Å; A155-F400 WeakPolarHBondContact O-CE1 3.43Å
156N92.9Very high93.4Very high93 Ų9368.1 Ų68.150%0.49738%0.379SS..Hα-helixtrans-64.3-40.5178.1-78.8-43.1000112.6A152 L153 A154 A160A152-N156 VanDerWaalsContact O-CB 3.31Å; A152-N156 WeakPolarHBondContact O-CB 3.49Å; A152-N156 VanDerWaalsContact O-CG 3.25Å; A152-N156 PolarHBondContact O-N 3.1Å; A152-N156 VanDerWaalsContact O-N 3.09Å; A152-N156 PolarHBondContact O-ND2 3.43Å; L153-N156 PolarHBondContact O-N 3.3Å; A154-N156 PolarHBondContact O-N 2.86Å; N156-A160 VanDerWaalsContact O-CB 3.27Å; N156-A160 WeakPolarHBondContact O-CB 3.34Å; N156-A160 PolarHBondContact O-N 3.46Å
157L92.8Very high93.6Very high113 Ų11368.1 Ų68.159%0.59238%0.379SS*.Hα-helixtrans-65.9-47.3176.8-72.1177.1000111.9L153 A154 A155 A160 Y161L153-L157 HydrophobicContact CD2-CD1 3.59Å; L153-L157 HydrophobicContact CD2-CG 4.37Å; L153-L157 WeakPolarHBondContact O-CG 3.37Å; L153-L157 PolarHBondContact O-N 3.4Å; L153-L157 VanDerWaalsContact O-N 3.12Å; A154-L157 PolarHBondContact O-N 3.03Å; A155-L157 PolarHBondContact O-N 3.08Å; L157-A160 PolarHBondContact O-N 3.38Å; L157-Y161 WeakPolarHBondContact O-CB 3.43Å; L157-Y161 PolarHBondContact O-N 3.16Å
158I93.7Very high93.9Very high31 Ų3162.9 Ų62.916%0.15937%0.368CS..Hα-helixtrans-61.3-47.1177-66165.8000109.5F148 A154 A155 A160 Y161 M162 L186 F400F148-I158 HydrophobicContact CB-CD1 3.94Å; F148-I158 HydrophobicContact CD2-CD1 3.58Å; F148-I158 HydrophobicContact CE2-CD1 4.27Å; F148-I158 HydrophobicContact CG-CD1 3.81Å; A154-I158 WeakPolarHBondContact O-CB 3.47Å; A154-I158 VanDerWaalsContact O-CG1 3.24Å; A154-I158 WeakPolarHBondContact O-CG1 3.36Å; A154-I158 PolarHBondContact O-N 3.26Å; A155-I158 PolarHBondContact O-N 3.28Å; I158-A160 VanDerWaalsContact C-N 3.32Å; I158-A160 PolarHBondContact O-N 3.04Å; I158-Y161 PolarHBondContact O-N 2.83Å; I158-M162 HydrophobicContact CG2-CG 4.31Å; I158-M162 HydrophobicContact CG2-SD 3.84Å; I158-M162 WeakPolarHBondContact O-CB 3.43Å; I158-M162 VanDerWaalsContact O-CG 3.27Å; I158-M162 WeakPolarHBondContact O-CG 3.4Å; I158-M162 PolarHBondContact O-N 3.24Å; I158-L186 HydrophobicContact CG2-CD1 4.34Å; I158-F400 HydrophobicContact CB-CE1 3.86Å; I158-F400 HydrophobicContact CB-CZ 4.46Å; I158-F400 HydrophobicContact CG2-CE1 3.7Å; I158-F400 HydrophobicContact CG2-CZ 4.43Å
159S95.5Very high94.1Very high0 Ų060.4 Ų60.40%036%0.357CS..Hα-helixtrans-61.7-39178-170.90000112.2A155 R163 S401 Q402A155-S159 WeakPolarHBondContact O-CB 3.29Å; A155-S159 PolarHBondContact O-N 2.87Å; S159-R163 WeakPolarHBondContact O-CG 3.42Å; S159-R163 PolarHBondContact O-N 3.21Å; S159-R163 PolarHBondContact OG-NH1 3.09Å; S159-S401 PolarHBondContact OG-N 3.06Å; S159-S401 PolarHBondContact OG-OG 3.27Å; S159-Q402 PolarHBondContact O-NE2 3.26Å; S159-Q402 PolarHBondContact OG-OE1 2.83Å
160A94.7Very high94.5Very high42 Ų4259 Ų5935%0.34735%0.351SS..Hα-helixtrans-66.7-43.3175.500000112.4N156 L157 I158 R163 A164N156-A160 VanDerWaalsContact O-CB 3.27Å; N156-A160 WeakPolarHBondContact O-CB 3.34Å; N156-A160 PolarHBondContact O-N 3.46Å; L157-A160 PolarHBondContact O-N 3.38Å; I158-A160 VanDerWaalsContact C-N 3.32Å; I158-A160 PolarHBondContact O-N 3.04Å; A160-R163 PolarHBondContact O-N 2.93Å; A160-A164 WeakPolarHBondContact O-CB 3.27Å; A160-A164 PolarHBondContact O-N 3.05Å
161Y94.6Very high94.8Very high75 Ų7553 Ų5329%0.29432%0.32SS..Hα-helixtrans-59.7-52175174.9-97.6000111L157 I158 R163 A164 T165 I167 L186 T189L157-Y161 WeakPolarHBondContact O-CB 3.43Å; L157-Y161 PolarHBondContact O-N 3.16Å; I158-Y161 PolarHBondContact O-N 2.83Å; Y161-R163 VanDerWaalsContact C-N 3.28Å; Y161-R163 PolarHBondContact O-N 2.99Å; Y161-A164 WeakPolarHBondContact O-CB 3.37Å; Y161-A164 PolarHBondContact O-N 3.36Å; Y161-T165 HydrophobicContact CD2-CG2 4.3Å; Y161-T165 HydrophobicContact CE1-CG2 4.19Å; Y161-T165 HydrophobicContact CE2-CG2 3.84Å; Y161-T165 PolarHBondContact O-N 3.26Å; Y161-T165 PolarHBondContact O-OG1 2.78Å; Y161-I167 HydrophobicContact CE1-CD1 4.18Å; Y161-L186 HydrophobicContact CD1-CD1 3.58Å; Y161-L186 HydrophobicContact CE1-CD1 3.74Å; Y161-T189 HydrophobicContact CE1-CG2 4.49Å; Y161-T189 HydrophobicContact CE2-CG2 4.3Å; Y161-T189 PolarHBondContact OH-OG1 3.21Å; Y161-T189 VanDerWaalsContact OH-OG1 3.08Å
162M96.9Very high95Very high0 Ų052.3 Ų52.30%032%0.319CS..Hα-helixtrans-57.4-39.1177.6-71.3174.68400112.3A141 M145 I158 T165 G166 I167 L186 Q402A141-M162 HydrophobicContact CB-CE 3.56Å; M145-M162 HydrophobicContact CG-SD 4.42Å; M145-M162 HydrophobicContact SD-CE 4.28Å; M145-M162 HydrophobicContact SD-SD 4.5Å; I158-M162 HydrophobicContact CG2-CG 4.31Å; I158-M162 HydrophobicContact CG2-SD 3.84Å; I158-M162 WeakPolarHBondContact O-CB 3.43Å; I158-M162 VanDerWaalsContact O-CG 3.27Å; I158-M162 WeakPolarHBondContact O-CG 3.4Å; I158-M162 PolarHBondContact O-N 3.24Å; M162-T165 PolarHBondContact O-OG1 3.48Å; M162-G166 CarbonylContact O-C 3.53Å; M162-G166 PolarHBondContact O-N 2.88Å; M162-I167 HydrophobicContact CB-CB 4.12Å; M162-I167 HydrophobicContact CE-CB 4.4Å; M162-I167 HydrophobicContact CE-CG2 3.67Å; M162-I167 HydrophobicContact CG-CB 4.18Å; M162-I167 HydrophobicContact CG-CG2 4.23Å; M162-I167 PolarHBondContact O-N 3.08Å; M162-L186 HydrophobicContact CE-CD2 4.07Å; M162-L186 HydrophobicContact CG-CD1 3.74Å; M162-L186 HydrophobicContact CG-CD2 4.07Å; M162-L186 HydrophobicContact SD-CD2 4Å; M162-Q402 HydrophobicContact CB-CG 4.14Å; M162-Q402 HydrophobicContact CE-CB 4.36Å; M162-Q402 HydrophobicContact CE-CG 3.77Å; M162-Q402 HydrophobicContact SD-CG 4.2Å
163R95.9Very high95.4Very high133 Ų13350.9 Ų50.950%0.50230%0.302SS..Hα-helixtrans-63.5-44173.4-79-169.4-63.4-87.2-2.5112S159 A160 Y161 T165 G166 S401S159-R163 WeakPolarHBondContact O-CG 3.42Å; S159-R163 PolarHBondContact O-N 3.21Å; S159-R163 PolarHBondContact OG-NH1 3.09Å; A160-R163 PolarHBondContact O-N 2.93Å; Y161-R163 VanDerWaalsContact C-N 3.28Å; Y161-R163 PolarHBondContact O-N 2.99Å; R163-T165 VanDerWaalsContact C-N 3.3Å; R163-T165 PolarHBondContact O-N 3Å; R163-G166 PolarHBondContact O-N 2.78Å; R163-S401 WeakPolarHBondContact CD-OG 3.19Å; R163-S401 PolarHBondContact NH1-OG 3.18Å
164A95.9Very high95.7Very high89 Ų8946.4 Ų46.474%0.73628%0.28SS*.Hα-helixtrans-67.3-30.7-178.200000112.8A160 Y161A160-A164 WeakPolarHBondContact O-CB 3.27Å; A160-A164 PolarHBondContact O-N 3.05Å; Y161-A164 WeakPolarHBondContact O-CB 3.37Å; Y161-A164 PolarHBondContact O-N 3.36Å
165T95Very high96.1Very high69 Ų6945.6 Ų45.642%0.42327%0.273SS..Hα-helixtrans-97.5-2.9-179.554.80000113.6Y161 M162 R163 I167Y161-T165 HydrophobicContact CD2-CG2 4.3Å; Y161-T165 HydrophobicContact CE1-CG2 4.19Å; Y161-T165 HydrophobicContact CE2-CG2 3.84Å; Y161-T165 PolarHBondContact O-N 3.26Å; Y161-T165 PolarHBondContact O-OG1 2.78Å; M162-T165 PolarHBondContact O-OG1 3.48Å; R163-T165 VanDerWaalsContact C-N 3.3Å; R163-T165 PolarHBondContact O-N 3Å; T165-I167 VanDerWaalsContact C-N 3.3Å; T165-I167 PolarHBondContact O-N 2.91Å; T165-I167 WeakPolarHBondContact OG1-CD1 3.1Å; T165-I167 WeakPolarHBondContact OG1-CG1 3.48Å
166G95.1Very high96.3Very high68 Ų6846.3 Ų46.370%0.70128%0.28SS*.THydrogen-bonded Turntrans74.216.5-17900000114.5M162 R163 G168M162-G166 CarbonylContact O-C 3.53Å; M162-G166 PolarHBondContact O-N 2.88Å; R163-G166 PolarHBondContact O-N 2.78Å; G166-G168 PolarHBondContact O-N 3.38Å
167I96.5Very high96.6Very high28 Ų2845.2 Ų45.214%0.14427%0.272CS..  trans-75.3121.4176.8-59.8173.1000109.2A141 Y161 M162 T165 L186 Q402A141-I167 HydrophobicContact CB-CG2 4.45Å; Y161-I167 HydrophobicContact CE1-CD1 4.18Å; M162-I167 HydrophobicContact CB-CB 4.12Å; M162-I167 HydrophobicContact CE-CB 4.4Å; M162-I167 HydrophobicContact CE-CG2 3.67Å; M162-I167 HydrophobicContact CG-CB 4.18Å; M162-I167 HydrophobicContact CG-CG2 4.23Å; M162-I167 PolarHBondContact O-N 3.08Å; T165-I167 VanDerWaalsContact C-N 3.3Å; T165-I167 PolarHBondContact O-N 2.91Å; T165-I167 WeakPolarHBondContact OG1-CD1 3.1Å; T165-I167 WeakPolarHBondContact OG1-CG1 3.48Å; I167-L186 HydrophobicContact CD1-CB 4.03Å; I167-Q402 WeakPolarHBondContact O-CG 3.24Å
168G96.7Very high96.8Very high26 Ų2640 Ų4027%0.26825%0.245SC..  trans-118.6-175.1-177.900000114.1G166 F170G166-G168 PolarHBondContact O-N 3.38Å; G168-F170 VanDerWaalsContact C-N 3.29Å; G168-F170 PolarHBondContact O-N 3.37Å
169L97.8Very high97Very high1 Ų138.6 Ų38.61%0.00524%0.238CC..SBendtrans-66.6-28.5177.5178.860.4000113.3L78 V137 N138 M142 M145 V394 V406L78-L169 HydrophobicContact CD2-CB 4.01Å; L78-L169 HydrophobicContact CD2-CD2 3.8Å; V137-L169 WeakPolarHBondContact CA-O 3.17Å; V137-L169 HydrophobicContact CG2-CD1 4.04Å; N138-L169 PolarHBondContact N-O 2.78Å; M142-L169 HydrophobicContact CG-CD1 3.73Å; M142-L169 HydrophobicContact SD-CD1 3.19Å; M142-L169 WeakPolarHBondContact SD-CD1 3.32Å; M145-L169 HydrophobicContact CE-CD1 4.41Å; L169-V394 HydrophobicContact CD1-CG1 4.3Å; L169-V394 HydrophobicContact CD2-CG1 4.14Å; L169-V406 HydrophobicContact CD2-CB 4.27Å; L169-V406 HydrophobicContact CD2-CG1 4.32Å; L169-V406 HydrophobicContact CD2-CG2 4.21Å
170F98.3Very high97.1Very high30 Ų3041.2 Ų41.213%0.13225%0.248CC..EExtended strand (participates in β ladder)trans-116.1144.4-179.7-58.6-65.7000110L71 P74 V77 L78 T136 V137 G168 F411L71-F170 HydrophobicContact CD2-CD1 3.3Å; L71-F170 HydrophobicContact CD2-CD2 4.05Å; L71-F170 HydrophobicContact CD2-CE1 3.35Å; L71-F170 HydrophobicContact CD2-CE2 4.07Å; L71-F170 HydrophobicContact CD2-CG 3.69Å; L71-F170 HydrophobicContact CD2-CZ 3.76Å; P74-F170 HydrophobicContact CB-CB 4.39Å; P74-F170 HydrophobicContact CB-CD2 3.62Å; P74-F170 HydrophobicContact CB-CE2 4.17Å; P74-F170 HydrophobicContact CB-CG 4.1Å; V77-F170 HydrophobicContact CB-CE2 4.13Å; V77-F170 HydrophobicContact CB-CZ 4.1Å; V77-F170 HydrophobicContact CG1-CE2 4.01Å; V77-F170 HydrophobicContact CG1-CZ 3.61Å; L78-F170 HydrophobicContact CD2-CE2 4.27Å; L78-F170 HydrophobicContact CG-CD2 4.42Å; L78-F170 HydrophobicContact CG-CE2 4.08Å; T136-F170 CarbonylContact O-C 3.54Å; T136-F170 VanDerWaalsContact O-CA 3.32Å; T136-F170 WeakPolarHBondContact O-CA 3.37Å; V137-F170 HydrophobicContact CB-CD1 4.45Å; G168-F170 VanDerWaalsContact C-N 3.29Å; G168-F170 PolarHBondContact O-N 3.37Å; F170-F411 AromaticContact CE1-CE2 4Å; F170-F411 HydrophobicContact CE1-CE2 4Å; F170-F411 HydrophobicContact CE1-CZ 4.33Å
171T97.8Very high97.3Very high29 Ų2940.2 Ų40.218%0.17824%0.241CC..EExtended strand (participates in β ladder)trans-133.7165.5177.4-171.50000110.2R135 T136 N138 H173R135-T171 CarbonylContact C-O 3.5Å; R135-T171 VanDerWaalsContact CA-O 3.31Å; R135-T171 WeakPolarHBondContact CA-O 3.48Å; T136-T171 PolarHBondContact N-O 3.22Å; T136-T171 PolarHBondContact O-N 2.97Å; T136-T171 VanDerWaalsContact O-O 3.14Å; N138-T171 HydrophobicContact CB-CG2 3.9Å; T171-H173 VanDerWaalsContact CG2-CD2 3.47Å; T171-H173 WeakPolarHBondContact CG2-CD2 3.29Å; T171-H173 PolarHBondContact OG1-CD2 3.03Å; T171-H173 PolarHBondContact OG1-NE2 3.03Å
172T98.5Very high97.4Very high69 Ų6937.3 Ų37.342%0.42323%0.23SC..EExtended strand (participates in β ladder)trans-128.4122.6174.1-54.60000109L133 I134 R135L133-T172 HydrophobicContact CB-CG2 4Å; L133-T172 HydrophobicContact CD2-CG2 4.34Å; I134-T172 WeakPolarHBondContact O-CA 3.35Å; R135-T172 HydrophobicContact CB-CG2 4.45Å; R135-T172 WeakPolarHBondContact CG-OG1 3.46Å
173H98.6Very high97.4Very high30 Ų3041.3 Ų41.314%0.13925%0.248CC..EExtended strand (participates in β ladder)trans-135.3164.4177.8-70.2-74.5000109.9I134 T171 E177 L178 Y182I134-H173 PolarHBondContact N-O 3.43Å; I134-H173 PolarHBondContact O-N 2.9Å; I134-H173 VanDerWaalsContact O-N 3.11Å; T171-H173 VanDerWaalsContact CG2-CD2 3.47Å; T171-H173 WeakPolarHBondContact CG2-CD2 3.29Å; T171-H173 PolarHBondContact OG1-CD2 3.03Å; T171-H173 PolarHBondContact OG1-NE2 3.03Å; H173-E177 HydrophobicContact CB-CB 4.08Å; H173-E177 IonicContact ND1-OE2 2.63Å; H173-L178 HydrophobicContact CB-CD2 3.91Å; H173-L178 HydrophobicContact CB-CG 3.87Å; H173-Y182 AromaticContact CD2-CE1 3.82Å; H173-Y182 AromaticContact CD2-CZ 3.68Å; H173-Y182 AromaticContact CE1-CD2 3.55Å; H173-Y182 AromaticContact CE1-CE2 3.43Å; H173-Y182 VanDerWaalsContact CE1-CE2 3.43Å; H173-Y182 WeakPolarHBondContact CE1-CE2 3.43Å; H173-Y182 AromaticContact CE1-CZ 3.78Å; H173-Y182 AromaticContact NE2-CE1 3.96Å; H173-Y182 AromaticContact NE2-CE2 3.42Å; H173-Y182 WeakPolarHBondContact NE2-CE2 3.44Å; H173-Y182 AromaticContact NE2-CZ 3.39Å
174T98.8Very high97.4Very high31 Ų3135.5 Ų35.519%0.1923%0.227CC..EExtended strand (participates in β ladder)trans-69.1157.9170.264.10000111E130 D132 L133 G176 E177 L178E130-T174 WeakPolarHBondContact O-CB 3.39Å; D132-T174 CarbonylContact O-C 3.58Å; D132-T174 VanDerWaalsContact O-CA 3.22Å; D132-T174 WeakPolarHBondContact O-CA 3.45Å; L133-T174 HydrophobicContact CD2-CG2 3.94Å; T174-G176 VanDerWaalsContact C-N 3.27Å; T174-G176 PolarHBondContact O-N 3.49Å; T174-E177 PolarHBondContact N-OE2 2.85Å; T174-E177 PolarHBondContact O-N 3.43Å; T174-E177 WeakPolarHBondContact OG1-CB 3.44Å; T174-E177 VanDerWaalsContact OG1-CD 3.24Å; T174-E177 WeakPolarHBondContact OG1-CG 3.43Å; T174-E177 PolarHBondContact OG1-N 3.07Å; T174-E177 PolarHBondContact OG1-OE2 3.01Å; T174-L178 PolarHBondContact O-N 3.32Å
175V98.6Very high97.3Very high0 Ų036 Ų360%022%0.218CC..Hα-helixtrans-55.9-44172.8167.70000111.3F68 Y91 E130 D132 I134 E177 L178 L179F68-V175 HydrophobicContact CD2-CG2 4.19Å; F68-V175 HydrophobicContact CE2-CB 4.42Å; F68-V175 HydrophobicContact CE2-CG1 3.75Å; F68-V175 HydrophobicContact CE2-CG2 4.11Å; F68-V175 HydrophobicContact CZ-CG1 4.28Å; Y91-V175 HydrophobicContact CD1-CB 4.49Å; Y91-V175 HydrophobicContact CD1-CG1 4.01Å; Y91-V175 HydrophobicContact CD1-CG2 4.31Å; Y91-V175 HydrophobicContact CD2-CG1 4.08Å; Y91-V175 HydrophobicContact CD2-CG2 4.07Å; Y91-V175 HydrophobicContact CE1-CB 4.45Å; Y91-V175 HydrophobicContact CE1-CG1 4.44Å; Y91-V175 HydrophobicContact CE1-CG2 3.92Å; Y91-V175 HydrophobicContact CE2-CG1 4.5Å; Y91-V175 HydrophobicContact CE2-CG2 3.65Å; Y91-V175 HydrophobicContact CG-CG1 3.83Å; Y91-V175 HydrophobicContact CG-CG2 4.39Å; E130-V175 WeakPolarHBondContact O-CB 3.34Å; E130-V175 PolarHBondContact O-N 3.24Å; E130-V175 VanDerWaalsContact O-N 3.1Å; D132-V175 HydrophobicContact CB-CG2 4.3Å; D132-V175 PolarHBondContact O-N 3.42Å; I134-V175 HydrophobicContact CD1-CG2 4.26Å; I134-V175 HydrophobicContact CG1-CG2 3.71Å; V175-E177 PolarHBondContact O-N 3.49Å; V175-L178 PolarHBondContact O-N 3.35Å; V175-L179 HydrophobicContact CG1-CD1 3.78Å; V175-L179 HydrophobicContact CG1-CG 4.37Å; V175-L179 WeakPolarHBondContact O-CB 3.22Å; V175-L179 WeakPolarHBondContact O-CG 3.4Å; V175-L179 PolarHBondContact O-N 2.88Å
176G98.1Very high97.2Very high15 Ų1533 Ų3316%0.15520%0.199CC..Hα-helixtrans-60.5-43.3178.600000112.6E130 T174 W180E130-G176 PolarHBondContact O-N 3.21Å; T174-G176 VanDerWaalsContact C-N 3.27Å; T174-G176 PolarHBondContact O-N 3.49Å; G176-W180 WeakPolarHBondContact O-CB 3.2Å; G176-W180 PolarHBondContact O-N 2.78Å
177E98.4Very high97.1Very high71 Ų7130.6 Ų30.633%0.33217%0.17SC..Hα-helixtrans-64-47175.4-76167.8148.200112H173 T174 V175 L179 G181 Y182H173-E177 HydrophobicContact CB-CB 4.08Å; H173-E177 IonicContact ND1-OE2 2.63Å; T174-E177 PolarHBondContact N-OE2 2.85Å; T174-E177 PolarHBondContact O-N 3.43Å; T174-E177 WeakPolarHBondContact OG1-CB 3.44Å; T174-E177 VanDerWaalsContact OG1-CD 3.24Å; T174-E177 WeakPolarHBondContact OG1-CG 3.43Å; T174-E177 PolarHBondContact OG1-N 3.07Å; T174-E177 PolarHBondContact OG1-OE2 3.01Å; V175-E177 PolarHBondContact O-N 3.49Å; E177-L179 VanDerWaalsContact C-N 3.33Å; E177-L179 PolarHBondContact O-N 2.92Å; E177-G181 CarbonylContact O-C 3.27Å; E177-G181 VanDerWaalsContact O-C 3.26Å; E177-G181 WeakPolarHBondContact O-CA 3.25Å; E177-G181 PolarHBondContact O-N 3.26Å; E177-Y182 HydrophobicContact CB-CD1 4.05Å; E177-Y182 HydrophobicContact CB-CG 4.38Å
178L98.4Very high97Very high4 Ų433.2 Ų33.22%0.02118%0.18CC..Hα-helixtrans-63.5-37.1-180-71.8178.1000112.8F68 I134 T136 H173 T174 V175 Y182 L203F68-L178 HydrophobicContact CD1-CD1 4.12Å; F68-L178 HydrophobicContact CE1-CB 4.04Å; F68-L178 HydrophobicContact CE1-CD1 3.84Å; F68-L178 HydrophobicContact CZ-CB 4.37Å; I134-L178 HydrophobicContact CB-CD1 3.68Å; I134-L178 HydrophobicContact CG1-CD1 4.34Å; I134-L178 HydrophobicContact CG2-CD1 3.88Å; T136-L178 HydrophobicContact CG2-CD1 4.22Å; T136-L178 HydrophobicContact CG2-CD2 4.29Å; H173-L178 HydrophobicContact CB-CD2 3.91Å; H173-L178 HydrophobicContact CB-CG 3.87Å; T174-L178 PolarHBondContact O-N 3.32Å; V175-L178 PolarHBondContact O-N 3.35Å; L178-Y182 HydrophobicContact CD2-CE1 4.35Å; L178-L203 WeakPolarHBondContact O-CG 2.97Å; L178-L203 PolarHBondContact O-N 2.9Å
179L98.1Very high96.7Very high0 Ų033.5 Ų33.50%018%0.177CC..Hα-helixtrans-78-57178.3-68.5175.9000111.3F66 F68 Y93 V175 E177 L203 F204 Y205 M414F66-L179 HydrophobicContact CD1-CD2 3.86Å; F66-L179 HydrophobicContact CD2-CD1 3.62Å; F66-L179 HydrophobicContact CD2-CD2 4.13Å; F66-L179 HydrophobicContact CE1-CD2 3.93Å; F66-L179 HydrophobicContact CE2-CD1 3.89Å; F66-L179 HydrophobicContact CE2-CD2 4.2Å; F66-L179 HydrophobicContact CG-CD1 4.08Å; F66-L179 HydrophobicContact CG-CD2 3.93Å; F66-L179 HydrophobicContact CZ-CD2 4.08Å; F68-L179 HydrophobicContact CE2-CD1 4.46Å; F68-L179 HydrophobicContact CE2-CD2 4.37Å; F68-L179 HydrophobicContact CE2-CG 4.38Å; F68-L179 HydrophobicContact CZ-CD1 4.39Å; F68-L179 HydrophobicContact CZ-CD2 3.72Å; F68-L179 HydrophobicContact CZ-CG 3.83Å; Y93-L179 HydrophobicContact CE2-CD1 3.8Å; V175-L179 HydrophobicContact CG1-CD1 3.78Å; V175-L179 HydrophobicContact CG1-CG 4.37Å; V175-L179 WeakPolarHBondContact O-CB 3.22Å; V175-L179 WeakPolarHBondContact O-CG 3.4Å; V175-L179 PolarHBondContact O-N 2.88Å; E177-L179 VanDerWaalsContact C-N 3.33Å; E177-L179 PolarHBondContact O-N 2.92Å; L179-L203 PolarHBondContact O-N 3.14Å; L179-F204 HydrophobicContact CD2-CD2 4.04Å; L179-F204 HydrophobicContact CD2-CE2 4.48Å; L179-F204 CarbonylContact O-C 3.56Å; L179-F204 VanDerWaalsContact O-C 3.26Å; L179-F204 VanDerWaalsContact O-CA 3.28Å; L179-F204 WeakPolarHBondContact O-CA 3.49Å; L179-F204 WeakPolarHBondContact O-CB 3.29Å; L179-F204 PolarHBondContact O-N 3.18Å; L179-Y205 PolarHBondContact O-N 2.82Å; L179-M414 HydrophobicContact CD2-SD 3.9Å
180W97.5Very high96.2Very high56 Ų5634.3 Ų34.321%0.21218%0.184CC..Hα-helixtrans-100.4-11.1-162.7-52.7121.5000114.7Y93 Y119 E130 G176 F204 Y205 N208Y93-W180 AromaticContact CD1-CZ2 3.72Å; Y93-W180 HydrophobicContact CD1-CZ2 3.72Å; Y93-W180 HydrophobicContact CD2-CZ2 4.44Å; Y93-W180 AromaticContact CE1-CE2 3.77Å; Y93-W180 AromaticContact CE1-CZ2 3.45Å; Y93-W180 HydrophobicContact CE1-CZ2 3.45Å; Y93-W180 VanDerWaalsContact CE1-CZ2 3.45Å; Y93-W180 AromaticContact CE1-NE1 3.53Å; Y93-W180 HydrophobicContact CE2-CZ2 4.21Å; Y93-W180 HydrophobicContact CG-CZ2 4.23Å; Y93-W180 AromaticContact CZ-CE2 3.94Å; Y93-W180 AromaticContact CZ-CZ2 3.71Å; Y93-W180 AromaticContact CZ-NE1 3.55Å; Y93-W180 PolarHBondContact OH-NE1 3.45Å; Y119-W180 HydrophobicContact CD1-CH2 4.33Å; Y119-W180 AromaticContact CD2-CH2 3.6Å; Y119-W180 HydrophobicContact CD2-CH2 3.6Å; Y119-W180 AromaticContact CD2-CZ3 3.79Å; Y119-W180 HydrophobicContact CD2-CZ3 3.79Å; Y119-W180 HydrophobicContact CE2-CH2 4.36Å; Y119-W180 HydrophobicContact CE2-CZ3 4.34Å; Y119-W180 AromaticContact CG-CH2 3.57Å; Y119-W180 HydrophobicContact CG-CH2 3.57Å; Y119-W180 HydrophobicContact CG-CZ2 4.42Å; Y119-W180 HydrophobicContact CG-CZ3 4.25Å; E130-W180 PolarHBondContact OE1-NE1 3.31Å; G176-W180 WeakPolarHBondContact O-CB 3.2Å; G176-W180 PolarHBondContact O-N 2.78Å; W180-F204 HydrophobicContact CE3-CB 4.05Å; W180-F204 HydrophobicContact CZ3-CB 3.74Å; W180-Y205 WeakPolarHBondContact O-CD2 3.46Å; W180-N208 HydrophobicContact CZ3-CB 4.43Å
181G97.4Very high95.8Very high20 Ų2036 Ų3621%0.20619%0.191CC..  trans125.8141.417500000113.9E177 F201E177-G181 CarbonylContact O-C 3.27Å; E177-G181 VanDerWaalsContact O-C 3.26Å; E177-G181 WeakPolarHBondContact O-CA 3.25Å; E177-G181 PolarHBondContact O-N 3.26Å; G181-F201 CarbonylContact C-O 3.44Å; G181-F201 VanDerWaalsContact CA-O 3.23Å; G181-F201 WeakPolarHBondContact CA-O 3.23Å
182Y97.8Very high95.4Very high14 Ų1442.2 Ų42.26%0.05522%0.215CC..EExtended strand (participates in β ladder)trans-135154.1160.962.9-85.6000109.8H173 E177 L178 D184 F200 F201H173-Y182 AromaticContact CD2-CE1 3.82Å; H173-Y182 AromaticContact CD2-CZ 3.68Å; H173-Y182 AromaticContact CE1-CD2 3.55Å; H173-Y182 AromaticContact CE1-CE2 3.43Å; H173-Y182 VanDerWaalsContact CE1-CE2 3.43Å; H173-Y182 WeakPolarHBondContact CE1-CE2 3.43Å; H173-Y182 AromaticContact CE1-CZ 3.78Å; H173-Y182 AromaticContact NE2-CE1 3.96Å; H173-Y182 AromaticContact NE2-CE2 3.42Å; H173-Y182 WeakPolarHBondContact NE2-CE2 3.44Å; H173-Y182 AromaticContact NE2-CZ 3.39Å; E177-Y182 HydrophobicContact CB-CD1 4.05Å; E177-Y182 HydrophobicContact CB-CG 4.38Å; L178-Y182 HydrophobicContact CD2-CE1 4.35Å; Y182-D184 HydrophobicContact CD2-CB 4.34Å; Y182-D184 HydrophobicContact CE2-CB 3.87Å; Y182-D184 PolarHBondContact O-N 3.45Å; Y182-F200 VanDerWaalsContact C-CD1 3.42Å; Y182-F200 CarbonylContact O-C 3.57Å; Y182-F200 VanDerWaalsContact O-CA 3.24Å; Y182-F200 WeakPolarHBondContact O-CA 3.41Å; Y182-F201 WeakPolarHBondContact CD1-O 3.36Å; Y182-F201 AromaticContact CE1-CD1 3.62Å; Y182-F201 HydrophobicContact CE1-CD1 3.62Å; Y182-F201 HydrophobicContact CE1-CE1 4.41Å; Y182-F201 AromaticContact CZ-CD1 3.87Å; Y182-F201 PolarHBondContact N-O 2.97Å; Y182-F201 PolarHBondContact O-N 2.89Å
183E96.9Very high94.6Very high84 Ų8447.2 Ų47.239%0.39323%0.232SC..EExtended strand (participates in β ladder)trans-73.8123.2171.9-170.1178.8-146.700108.7K188 F200E183-K188 HydrophobicContact CG-CD 4.28Å; E183-K188 VanDerWaalsContact OE1-CD 3.31Å; E183-K188 WeakPolarHBondContact OE1-CD 3.44Å; E183-K188 WeakPolarHBondContact OE1-CE 3.35Å; E183-K188 IonicContact OE1-NZ 3.11Å; E183-K188 PolarHBondContact OE1-NZ 2.93Å; E183-K188 IonicContact OE2-NZ 2.86Å; E183-K188 PolarHBondContact OE2-NZ 3.47Å; E183-F200 HydrophobicContact CB-CD1 4.19Å; E183-F200 HydrophobicContact CB-CE1 3.77Å; E183-F200 HydrophobicContact CB-CE2 4.27Å; E183-F200 HydrophobicContact CB-CZ 3.8Å; E183-F200 HydrophobicContact CG-CE2 4.25Å; E183-F200 HydrophobicContact CG-CZ 4.2Å
184D96.1Very high93.8Very high11 Ų1147.4 Ų47.46%0.05923%0.234CC..  trans-103.1123.4-179.9178.4-90.9000110.5P140 Y182 L186 L187 K188 D199P140-D184 HydrophobicContact CB-CB 4.41Å; P140-D184 HydrophobicContact CG-CB 4.32Å; Y182-D184 HydrophobicContact CD2-CB 4.34Å; Y182-D184 HydrophobicContact CE2-CB 3.87Å; Y182-D184 PolarHBondContact O-N 3.45Å; D184-L186 PolarHBondContact O-N 2.85Å; D184-L186 WeakPolarHBondContact OD1-CA 3.3Å; D184-L186 VanDerWaalsContact OD1-CB 3.23Å; D184-L186 WeakPolarHBondContact OD1-CB 3.31Å; D184-L186 PolarHBondContact OD1-N 2.95Å; D184-L187 HydrophobicContact CB-CB 4.09Å; D184-L187 HydrophobicContact CB-CD1 4.01Å; D184-L187 HydrophobicContact CB-CG 4.07Å; D184-L187 PolarHBondContact O-N 3.17Å; D184-L187 PolarHBondContact OD1-N 3.3Å; D184-K188 VanDerWaalsContact O-CB 3.28Å; D184-K188 WeakPolarHBondContact O-CB 3.42Å; D184-K188 PolarHBondContact O-N 3.23Å; D184-D199 PolarHBondContact N-O 3.35Å
185D92.7Very high93.2Very high100 Ų10050.8 Ų50.854%0.53526%0.256SS..Hα-helixtrans-61.5-31.9-175.7-75.6-34.6000113.2T189D185-T189 WeakPolarHBondContact O-CB 3.5Å; D185-T189 PolarHBondContact O-N 3.18Å; D185-T189 VanDerWaalsContact O-N 3.1Å; D185-T189 PolarHBondContact O-OG1 3.3Å
186L93.6Very high92.6Very high7 Ų759.2 Ų59.24%0.03730%0.296CS..Hα-helixtrans-73.4-45.8179-171.366.6000110.4A141 L144 I158 Y161 M162 I167 D184 T189 A190A141-L186 HydrophobicContact CB-CD2 4.17Å; L144-L186 HydrophobicContact CB-CD2 4.48Å; L144-L186 HydrophobicContact CD1-CB 4.41Å; L144-L186 HydrophobicContact CD1-CD2 3.63Å; L144-L186 HydrophobicContact CD1-CG 3.51Å; I158-L186 HydrophobicContact CG2-CD1 4.34Å; Y161-L186 HydrophobicContact CD1-CD1 3.58Å; Y161-L186 HydrophobicContact CE1-CD1 3.74Å; M162-L186 HydrophobicContact CE-CD2 4.07Å; M162-L186 HydrophobicContact CG-CD1 3.74Å; M162-L186 HydrophobicContact CG-CD2 4.07Å; M162-L186 HydrophobicContact SD-CD2 4Å; I167-L186 HydrophobicContact CD1-CB 4.03Å; D184-L186 PolarHBondContact O-N 2.85Å; D184-L186 WeakPolarHBondContact OD1-CA 3.3Å; D184-L186 VanDerWaalsContact OD1-CB 3.23Å; D184-L186 WeakPolarHBondContact OD1-CB 3.31Å; D184-L186 PolarHBondContact OD1-N 2.95Å; L186-T189 PolarHBondContact O-N 2.98Å; L186-A190 WeakPolarHBondContact O-CB 3.33Å; L186-A190 PolarHBondContact O-N 3.1Å
187L93.7Very high92Very high16 Ų1660 Ų608%0.08430%0.296CS..Hα-helixtrans-62.4-45.1173.9-69.6-179.6000111.9P140 L144 D184 T189 A190 K191 D198 F201P140-L187 HydrophobicContact CB-CD1 3.91Å; P140-L187 HydrophobicContact CB-CD2 4.37Å; P140-L187 HydrophobicContact CB-CG 3.9Å; P140-L187 HydrophobicContact CG-CD1 4.11Å; L144-L187 HydrophobicContact CD1-CD2 3.99Å; L144-L187 HydrophobicContact CG-CD2 4.23Å; D184-L187 HydrophobicContact CB-CB 4.09Å; D184-L187 HydrophobicContact CB-CD1 4.01Å; D184-L187 HydrophobicContact CB-CG 4.07Å; D184-L187 PolarHBondContact O-N 3.17Å; D184-L187 PolarHBondContact OD1-N 3.3Å; L187-T189 PolarHBondContact O-N 3.31Å; L187-A190 PolarHBondContact O-N 2.93Å; L187-A190 VanDerWaalsContact O-N 3.08Å; L187-K191 WeakPolarHBondContact O-CB 3.41Å; L187-K191 PolarHBondContact O-N 3.46Å; L187-D198 WeakPolarHBondContact CB-O 3.49Å; L187-F201 HydrophobicContact CD1-CB 3.95Å
188K93.3Very high91.6Very high83 Ų8359 Ų5936%0.36129%0.293SS..Hα-helixtrans-56.5-36.4175.1-174.1178.4-169.2158.60112.7E183 D184 D199E183-K188 HydrophobicContact CG-CD 4.28Å; E183-K188 VanDerWaalsContact OE1-CD 3.31Å; E183-K188 WeakPolarHBondContact OE1-CD 3.44Å; E183-K188 WeakPolarHBondContact OE1-CE 3.35Å; E183-K188 IonicContact OE1-NZ 3.11Å; E183-K188 PolarHBondContact OE1-NZ 2.93Å; E183-K188 IonicContact OE2-NZ 2.86Å; E183-K188 PolarHBondContact OE2-NZ 3.47Å; D184-K188 VanDerWaalsContact O-CB 3.28Å; D184-K188 WeakPolarHBondContact O-CB 3.42Å; D184-K188 PolarHBondContact O-N 3.23Å; K188-D199 HydrophobicContact CB-CB 4.03Å; K188-D199 HydrophobicContact CG-CB 4.4Å
189T90.3Very high91.4Very high32 Ų3260.3 Ų60.320%0.19630%0.3CS..Hα-helixtrans-75.6-43.5174.8-60.60000111.4Y161 D185 L186 L187 K191 K192 F193Y161-T189 HydrophobicContact CE1-CG2 4.49Å; Y161-T189 HydrophobicContact CE2-CG2 4.3Å; Y161-T189 PolarHBondContact OH-OG1 3.21Å; Y161-T189 VanDerWaalsContact OH-OG1 3.08Å; D185-T189 WeakPolarHBondContact O-CB 3.5Å; D185-T189 PolarHBondContact O-N 3.18Å; D185-T189 VanDerWaalsContact O-N 3.1Å; D185-T189 PolarHBondContact O-OG1 3.3Å; L186-T189 PolarHBondContact O-N 2.98Å; L187-T189 PolarHBondContact O-N 3.31Å; T189-K191 VanDerWaalsContact C-N 3.32Å; T189-K191 PolarHBondContact O-N 3.13Å; T189-K192 WeakPolarHBondContact O-CB 3.08Å; T189-K192 PolarHBondContact O-N 2.93Å; T189-F193 WeakPolarHBondContact O-CD2 3.36Å
190A88.1Confident91.3Very high18 Ų1863.8 Ų63.815%0.14932%0.315CS..Hα-helixtrans-62.6-37.1178.700000112.5L144 L186 L187 K192 F193 D194 L197L144-A190 HydrophobicContact CD1-CB 4Å; L144-A190 HydrophobicContact CD2-CB 4.18Å; L186-A190 WeakPolarHBondContact O-CB 3.33Å; L186-A190 PolarHBondContact O-N 3.1Å; L187-A190 PolarHBondContact O-N 2.93Å; L187-A190 VanDerWaalsContact O-N 3.08Å; A190-K192 PolarHBondContact O-N 2.91Å; A190-K192 VanDerWaalsContact O-N 3.14Å; A190-F193 PolarHBondContact O-N 3.17Å; A190-D194 PolarHBondContact O-N 3.08Å; A190-L197 HydrophobicContact CB-CD1 3.66Å
191K90Very high91.2Very high67 Ų6762.8 Ų62.829%0.29131%0.312SS..THydrogen-bonded Turntrans-56.9-26.8176.2-174.8173.2-172.3-179.50113.8L187 T189 F193 D194 L197 D199L187-K191 WeakPolarHBondContact O-CB 3.41Å; L187-K191 PolarHBondContact O-N 3.46Å; T189-K191 VanDerWaalsContact C-N 3.32Å; T189-K191 PolarHBondContact O-N 3.13Å; K191-F193 PolarHBondContact O-N 3.47Å; K191-D194 WeakPolarHBondContact CA-O 3.4Å; K191-D194 CarbonylContact O-C 3.38Å; K191-L197 HydrophobicContact CB-CB 4.4Å; K191-L197 WeakPolarHBondContact CD-O 3.49Å; K191-L197 VanDerWaalsContact CE-O 3.31Å; K191-L197 WeakPolarHBondContact CE-O 3.25Å; K191-L197 VanDerWaalsContact CG-O 3.27Å; K191-L197 WeakPolarHBondContact CG-O 3.48Å; K191-D199 HydrophobicContact CD-CB 3.85Å; K191-D199 IonicContact NZ-OD1 2.7Å; K191-D199 PolarHBondContact NZ-OD1 3.06Å; K191-D199 IonicContact NZ-OD2 2.82Å; K191-D199 PolarHBondContact NZ-OD2 2.89Å
192K88.4Confident91.2Very high158 Ų15862.4 Ų62.469%0.68731%0.309SS*.THydrogen-bonded Turntrans-66.8-22.3174.4-62.2175-178171.20112.9T189 A190T189-K192 WeakPolarHBondContact O-CB 3.08Å; T189-K192 PolarHBondContact O-N 2.93Å; A190-K192 PolarHBondContact O-N 2.91Å; A190-K192 VanDerWaalsContact O-N 3.14Å
193F82.9Confident91.1Very high175 Ų17563.2 Ų63.277%0.76831%0.314SS*.THydrogen-bonded Turntrans-106.9-29.6-179.3-59.3-79000112.5T189 A190 K191T189-F193 WeakPolarHBondContact O-CD2 3.36Å; A190-F193 PolarHBondContact O-N 3.17Å; K191-F193 PolarHBondContact O-N 3.47Å
194D81.9Confident91Very high33 Ų3360.1 Ų60.118%0.17630%0.299CS..  trans-127.892.9173.4-1774.9000109.5R147 A190 K191 E196 L197R147-D194 IonicContact CZ-OD2 2.82Å; R147-D194 IonicContact NH1-OD2 2.74Å; R147-D194 PolarHBondContact NH1-OD2 2.73Å; R147-D194 IonicContact NH2-OD2 3Å; R147-D194 PolarHBondContact NH2-OD2 2.83Å; A190-D194 PolarHBondContact O-N 3.08Å; K191-D194 WeakPolarHBondContact CA-O 3.4Å; K191-D194 CarbonylContact O-C 3.38Å; D194-E196 PolarHBondContact O-N 2.68Å; D194-E196 VanDerWaalsContact O-N 3.08Å; D194-E196 PolarHBondContact OD1-N 3.5Å; D194-L197 HydrophobicContact CB-CD1 3.96Å; D194-L197 HydrophobicContact CB-CG 4.11Å; D194-L197 WeakPolarHBondContact O-CB 3.26Å; D194-L197 PolarHBondContact O-N 3.38Å
195P85.9Confident91Very high103 Ų10362.5 Ų62.567%0.66931%0.308SS*.THydrogen-bonded Turntrans-60.9-16-176.3-25.635.5000115.3L197P195-L197 VanDerWaalsContact C-N 3.25Å; P195-L197 PolarHBondContact O-N 2.89Å
196E84.7Confident91Very high176 Ų17663.9 Ų63.982%0.82231%0.309SS*.THydrogen-bonded Turntrans-75-15.7176.8-62.8-67.6131.900112.4D194D194-E196 PolarHBondContact O-N 2.68Å; D194-E196 VanDerWaalsContact O-N 3.08Å; D194-E196 PolarHBondContact OD1-N 3.5Å
197L85.4Confident91Very high33 Ų3367.2 Ų67.217%0.17333%0.325CS..SBendtrans-72.5139.4175.3-71.5176.1000111.5L144 A190 K191 D194 P195L144-L197 HydrophobicContact CD2-CD1 4.21Å; A190-L197 HydrophobicContact CB-CD1 3.66Å; K191-L197 HydrophobicContact CB-CB 4.4Å; K191-L197 WeakPolarHBondContact CD-O 3.49Å; K191-L197 VanDerWaalsContact CE-O 3.31Å; K191-L197 WeakPolarHBondContact CE-O 3.25Å; K191-L197 VanDerWaalsContact CG-O 3.27Å; K191-L197 WeakPolarHBondContact CG-O 3.48Å; D194-L197 HydrophobicContact CB-CD1 3.96Å; D194-L197 HydrophobicContact CB-CG 4.11Å; D194-L197 WeakPolarHBondContact O-CB 3.26Å; D194-L197 PolarHBondContact O-N 3.38Å; P195-L197 VanDerWaalsContact C-N 3.25Å; P195-L197 PolarHBondContact O-N 2.89Å
198D90.4Very high91Very high48 Ų4870.1 Ų70.126%0.25734%0.341SS..  trans-79.5145.8165.8-149.1-48000109.6L187 F200 Y205 K206L187-D198 WeakPolarHBondContact CB-O 3.49Å; D198-F200 VanDerWaalsContact C-N 3.34Å; D198-F200 PolarHBondContact OD1-N 3.33Å; D198-Y205 WeakPolarHBondContact OD2-CE1 3.32Å; D198-K206 IonicContact OD2-NZ 2.74Å; D198-K206 PolarHBondContact OD2-NZ 3.38Å
199D94.1Very high90.9Very high32 Ų3269.6 Ų69.617%0.17135%0.352CS..SBendtrans-87.6-7.8174.339.74.9000112.3D184 K188 K191D184-D199 PolarHBondContact N-O 3.35Å; K188-D199 HydrophobicContact CB-CB 4.03Å; K188-D199 HydrophobicContact CG-CB 4.4Å; K191-D199 HydrophobicContact CD-CB 3.85Å; K191-D199 IonicContact NZ-OD1 2.7Å; K191-D199 PolarHBondContact NZ-OD1 3.06Å; K191-D199 IonicContact NZ-OD2 2.82Å; K191-D199 PolarHBondContact NZ-OD2 2.89Å
200F95.6Very high91.1Very high74 Ų7469.8 Ų69.833%0.32535%0.354SS..EExtended strand (participates in β ladder)trans-106147.5174.8-73-103.1000112.3Y182 E183 D198 Y205Y182-F200 VanDerWaalsContact C-CD1 3.42Å; Y182-F200 CarbonylContact O-C 3.57Å; Y182-F200 VanDerWaalsContact O-CA 3.24Å; Y182-F200 WeakPolarHBondContact O-CA 3.41Å; E183-F200 HydrophobicContact CB-CD1 4.19Å; E183-F200 HydrophobicContact CB-CE1 3.77Å; E183-F200 HydrophobicContact CB-CE2 4.27Å; E183-F200 HydrophobicContact CB-CZ 3.8Å; E183-F200 HydrophobicContact CG-CE2 4.25Å; E183-F200 HydrophobicContact CG-CZ 4.2Å; D198-F200 VanDerWaalsContact C-N 3.34Å; D198-F200 PolarHBondContact OD1-N 3.33Å; F200-Y205 HydrophobicContact CB-CD1 4.44Å; F200-Y205 HydrophobicContact CB-CD2 4.28Å; F200-Y205 HydrophobicContact CB-CE1 3.83Å; F200-Y205 HydrophobicContact CB-CE2 3.66Å; F200-Y205 VanDerWaalsContact CB-CZ 3.41Å; F200-Y205 HydrophobicContact CD1-CE2 4.27Å; F200-Y205 HydrophobicContact CG-CE2 4.09Å; F200-Y205 AromaticContact CG-CZ 3.95Å
201F96.2Very high91.4Very high34 Ų3472.1 Ų72.115%0.14936%0.364CS..EExtended strand (participates in β ladder)trans-129.5137.5170.4173.3-91.2000111.3I139 P140 G181 Y182 L187 L203I139-F201 HydrophobicContact CB-CE1 4.03Å; I139-F201 HydrophobicContact CB-CE2 3.86Å; I139-F201 HydrophobicContact CB-CZ 3.5Å; I139-F201 VanDerWaalsContact CB-CZ 3.5Å; I139-F201 HydrophobicContact CD1-CE1 4.11Å; I139-F201 HydrophobicContact CD1-CZ 3.59Å; I139-F201 HydrophobicContact CG1-CZ 4.07Å; I139-F201 HydrophobicContact CG2-CD2 4.45Å; I139-F201 HydrophobicContact CG2-CE2 3.49Å; I139-F201 VanDerWaalsContact CG2-CE2 3.49Å; I139-F201 HydrophobicContact CG2-CZ 3.55Å; P140-F201 HydrophobicContact CG-CB 3.52Å; P140-F201 HydrophobicContact CG-CD1 3.87Å; P140-F201 HydrophobicContact CG-CD2 3.89Å; P140-F201 HydrophobicContact CG-CG 3.45Å; P140-F201 VanDerWaalsContact CG-CG 3.45Å; G181-F201 CarbonylContact C-O 3.44Å; G181-F201 VanDerWaalsContact CA-O 3.23Å; G181-F201 WeakPolarHBondContact CA-O 3.23Å; Y182-F201 WeakPolarHBondContact CD1-O 3.36Å; Y182-F201 AromaticContact CE1-CD1 3.62Å; Y182-F201 HydrophobicContact CE1-CD1 3.62Å; Y182-F201 HydrophobicContact CE1-CE1 4.41Å; Y182-F201 AromaticContact CZ-CD1 3.87Å; Y182-F201 PolarHBondContact N-O 2.97Å; Y182-F201 PolarHBondContact O-N 2.89Å; L187-F201 HydrophobicContact CD1-CB 3.95Å; F201-L203 HydrophobicContact CZ-CD2 4.16Å
202G96.3Very high91.6Very high12 Ų1270.6 Ų70.612%0.12436%0.36CS..  trans-165.2148.9167.400000110F204 Y205G202-F204 PolarHBondContact O-N 3.38Å; G202-Y205 WeakPolarHBondContact O-CB 3.1Å; G202-Y205 PolarHBondContact O-N 2.85Å
203L96.1Very high91.9Very high31 Ų3163.5 Ų63.516%0.16233%0.331CS..THydrogen-bonded Turntrans-62.1-30.7-177.1-67.2170.3000112.4F68 I139 L178 L179 F201 I390 V413 M414F68-L203 HydrophobicContact CE1-CD1 4.34Å; I139-L203 HydrophobicContact CD1-CD2 3.89Å; L178-L203 WeakPolarHBondContact O-CG 2.97Å; L178-L203 PolarHBondContact O-N 2.9Å; L179-L203 PolarHBondContact O-N 3.14Å; F201-L203 HydrophobicContact CZ-CD2 4.16Å; L203-I390 HydrophobicContact CD2-CD1 4.32Å; L203-I390 HydrophobicContact CD2-CG2 4.21Å; L203-V413 HydrophobicContact CD1-CG1 4.18Å; L203-M414 HydrophobicContact CD1-CG 3.79Å; L203-M414 HydrophobicContact CD1-SD 3.41Å; L203-M414 WeakPolarHBondContact CD1-SD 3.3Å
204F95.7Very high92.5Very high19 Ų1959.2 Ų59.28%0.08331%0.313CS..THydrogen-bonded Turntrans-12629.8176.5-67.8-95.9000110.9M64 F66 L179 W180 G202 K206 M207 I390 M414 L416M64-F204 HydrophobicContact CE-CD1 4.44Å; M64-F204 HydrophobicContact CE-CE1 3.54Å; M64-F204 HydrophobicContact CE-CZ 3.69Å; F66-F204 HydrophobicContact CE1-CD2 4.15Å; F66-F204 AromaticContact CE1-CE2 3.64Å; F66-F204 HydrophobicContact CE1-CE2 3.64Å; F66-F204 AromaticContact CE1-CZ 3.92Å; F66-F204 HydrophobicContact CE1-CZ 3.92Å; F66-F204 HydrophobicContact CZ-CD2 4.36Å; F66-F204 HydrophobicContact CZ-CE2 4.24Å; F66-F204 HydrophobicContact CZ-CZ 4.46Å; L179-F204 HydrophobicContact CD2-CD2 4.04Å; L179-F204 HydrophobicContact CD2-CE2 4.48Å; L179-F204 CarbonylContact O-C 3.56Å; L179-F204 VanDerWaalsContact O-C 3.26Å; L179-F204 VanDerWaalsContact O-CA 3.28Å; L179-F204 WeakPolarHBondContact O-CA 3.49Å; L179-F204 WeakPolarHBondContact O-CB 3.29Å; L179-F204 PolarHBondContact O-N 3.18Å; W180-F204 HydrophobicContact CE3-CB 4.05Å; W180-F204 HydrophobicContact CZ3-CB 3.74Å; G202-F204 PolarHBondContact O-N 3.38Å; F204-K206 PolarHBondContact O-N 2.88Å; F204-M207 HydrophobicContact CB-CB 4.1Å; F204-M207 HydrophobicContact CB-CG 4.11Å; F204-M207 HydrophobicContact CD1-CB 4.44Å; F204-M207 HydrophobicContact CD1-CG 4.31Å; F204-M207 VanDerWaalsContact O-CB 3.24Å; F204-M207 WeakPolarHBondContact O-CB 3.48Å; F204-M207 WeakPolarHBondContact O-CG 3.41Å; F204-M207 PolarHBondContact O-N 2.59Å; F204-I390 HydrophobicContact CE2-CD1 4.32Å; F204-M414 HydrophobicContact CE2-CE 3.71Å; F204-M414 HydrophobicContact CZ-CE 4.38Å; F204-L416 HydrophobicContact CZ-CD2 3.82Å
205Y95.1Very high93.3Very high62 Ų6257.9 Ų57.924%0.24331%0.306CS..THydrogen-bonded Turntrans-57133.7177.4179.3-118.1000110.8L179 W180 D198 F200 G202 M207L179-Y205 PolarHBondContact O-N 2.82Å; W180-Y205 WeakPolarHBondContact O-CD2 3.46Å; D198-Y205 WeakPolarHBondContact OD2-CE1 3.32Å; F200-Y205 HydrophobicContact CB-CD1 4.44Å; F200-Y205 HydrophobicContact CB-CD2 4.28Å; F200-Y205 HydrophobicContact CB-CE1 3.83Å; F200-Y205 HydrophobicContact CB-CE2 3.66Å; F200-Y205 VanDerWaalsContact CB-CZ 3.41Å; F200-Y205 HydrophobicContact CD1-CE2 4.27Å; F200-Y205 HydrophobicContact CG-CE2 4.09Å; F200-Y205 AromaticContact CG-CZ 3.95Å; G202-Y205 WeakPolarHBondContact O-CB 3.1Å; G202-Y205 PolarHBondContact O-N 2.85Å; Y205-M207 PolarHBondContact O-N 3.37Å; Y205-M207 VanDerWaalsContact O-N 3.11Å
206K93.3Very high93.9Very high129 Ų12954.1 Ų54.156%0.56128%0.28SS*.THydrogen-bonded Turntrans58.912.7-175.2-65.4169.4171.8160.90115.4D198 F204 S210D198-K206 IonicContact OD2-NZ 2.74Å; D198-K206 PolarHBondContact OD2-NZ 3.38Å; F204-K206 PolarHBondContact O-N 2.88Å; K206-S210 VanDerWaalsContact O-CB 3.31Å; K206-S210 WeakPolarHBondContact O-CB 3.43Å; K206-S210 PolarHBondContact O-OG 2.9Å
207M93.2Very high94.5Very high76 Ų7645.8 Ų45.837%0.37424%0.241SC..  trans-85.7-16.2177.1-62.8-70.7-179.800113.3F204 Y205 S210F204-M207 HydrophobicContact CB-CB 4.1Å; F204-M207 HydrophobicContact CB-CG 4.11Å; F204-M207 HydrophobicContact CD1-CB 4.44Å; F204-M207 HydrophobicContact CD1-CG 4.31Å; F204-M207 VanDerWaalsContact O-CB 3.24Å; F204-M207 WeakPolarHBondContact O-CB 3.48Å; F204-M207 WeakPolarHBondContact O-CG 3.41Å; F204-M207 PolarHBondContact O-N 2.59Å; Y205-M207 PolarHBondContact O-N 3.37Å; Y205-M207 VanDerWaalsContact O-N 3.11Å; M207-S210 VanDerWaalsContact C-OG 3.3Å; M207-S210 VanDerWaalsContact CA-OG 3.26Å; M207-S210 WeakPolarHBondContact CA-OG 3.29Å; M207-S210 PolarHBondContact O-OG 2.94Å
208N93.4Very high95.1Very high77 Ų7745.5 Ų45.541%0.41224%0.238SC..THydrogen-bonded Turntrans-79.7129.4179-166.926.3000110.8T118 Y119 W180 S210T118-N208 WeakPolarHBondContact CA-OD1 3.41Å; Y119-N208 HydrophobicContact CD2-CB 4.36Å; Y119-N208 PolarHBondContact N-OD1 2.75Å; W180-N208 HydrophobicContact CZ3-CB 4.43Å; N208-S210 PolarHBondContact O-N 3.4Å
209A92.7Very high95.4Very high72 Ų7243.2 Ų43.260%0.59523%0.226SC*.THydrogen-bonded Turntrans57.130.8-174.200000113.6K117K117-A209 WeakPolarHBondContact O-CA 3.3Å; K117-A209 PolarHBondContact O-N 3.46Å
210S94.6Very high95.6Very high36 Ų3642 Ų4225%0.25222%0.221SC..BIsolated β-bridgetrans-128.1169.2173.872.30000110.9P116 K117 K206 M207 N208P116-S210 CarbonylContact C-O 3.55Å; P116-S210 WeakPolarHBondContact CA-O 3.29Å; K117-S210 PolarHBondContact N-O 2.84Å; K206-S210 VanDerWaalsContact O-CB 3.31Å; K206-S210 WeakPolarHBondContact O-CB 3.43Å; K206-S210 PolarHBondContact O-OG 2.9Å; M207-S210 VanDerWaalsContact C-OG 3.3Å; M207-S210 VanDerWaalsContact CA-OG 3.26Å; M207-S210 WeakPolarHBondContact CA-OG 3.29Å; M207-S210 PolarHBondContact O-OG 2.94Å; N208-S210 PolarHBondContact O-N 3.4Å
211N93.6Very high95.5Very high67 Ų6743.2 Ų43.236%0.35823%0.227SC..  trans-114.2161179.264.579.1000110.9V114 P116 G213V114-N211 HydrophobicContact CB-CB 4.01Å; P116-N211 HydrophobicContact CB-CB 4.37Å; N211-G213 VanDerWaalsContact C-N 3.28Å; N211-G213 PolarHBondContact O-N 2.76Å; N211-G213 WeakPolarHBondContact OD1-CA 3.3Å; N211-G213 PolarHBondContact OD1-N 3.45Å
212D93.1Very high95.4Very high36 Ų3648.9 Ų48.919%0.19326%0.255CS..SBendtrans-9221179.566-34.3000113.1Y215 W233 S273D212-Y215 WeakPolarHBondContact OD1-CE2 3.44Å; D212-Y215 PolarHBondContact OD2-OH 3.08Å; D212-W233 VanDerWaalsContact O-CE2 3.29Å; D212-W233 WeakPolarHBondContact O-CZ2 3.12Å; D212-W233 PolarHBondContact O-NE1 3.21Å; D212-S273 WeakPolarHBondContact OD2-CB 3.33Å; D212-S273 PolarHBondContact OD2-OG 2.68Å
213G94.6Very high95.4Very high8 Ų851.2 Ų51.28%0.08226%0.264CS..  trans115167.6179.800000114N211 Y215 N234N211-G213 VanDerWaalsContact C-N 3.28Å; N211-G213 PolarHBondContact O-N 2.76Å; N211-G213 WeakPolarHBondContact OD1-CA 3.3Å; N211-G213 PolarHBondContact OD1-N 3.45Å; G213-Y215 WeakPolarHBondContact O-CD2 3.34Å; G213-N234 WeakPolarHBondContact CA-OD1 3.19Å
214E97.4Very high95.4Very high86 Ų8652 Ų5240%0.40227%0.265SS..EExtended strand (participates in β ladder)trans-80.1131.3174.5-172.9-175.4-97.300110V114 W233 N234V114-E214 HydrophobicContact CG1-CB 4.2Å; V114-E214 HydrophobicContact CG1-CG 4.49Å; E214-W233 CarbonylContact O-C 3.26Å; E214-W233 WeakPolarHBondContact O-CA 3.43Å; E214-N234 PolarHBondContact N-OD1 3.14Å; E214-N234 PolarHBondContact O-N 3.47Å
215Y97.9Very high95.5Very high4 Ų456.3 Ų56.32%0.01628%0.284CS..EExtended strand (participates in β ladder)trans-109.7140.2173.5-70.4-98.1000110.3A112 S113 D212 G213 F217 V230 W233 N254 F271A112-Y215 CarbonylContact C-O 3.48Å; A112-Y215 VanDerWaalsContact CA-O 3.3Å; A112-Y215 WeakPolarHBondContact CA-O 3.47Å; S113-Y215 PolarHBondContact N-O 2.9Å; S113-Y215 PolarHBondContact O-N 2.82Å; D212-Y215 WeakPolarHBondContact OD1-CE2 3.44Å; D212-Y215 PolarHBondContact OD2-OH 3.08Å; G213-Y215 WeakPolarHBondContact O-CD2 3.34Å; Y215-F217 HydrophobicContact CD1-CE1 4.17Å; Y215-F217 AromaticContact CD1-CZ 3.83Å; Y215-F217 HydrophobicContact CD1-CZ 3.83Å; Y215-F217 HydrophobicContact CD2-CZ 4.41Å; Y215-F217 HydrophobicContact CG-CE1 4.39Å; Y215-F217 AromaticContact CG-CE2 3.98Å; Y215-F217 HydrophobicContact CG-CE2 3.98Å; Y215-F217 AromaticContact CG-CZ 3.63Å; Y215-F217 HydrophobicContact CG-CZ 3.63Å; Y215-V230 HydrophobicContact CD1-CG1 4.03Å; Y215-V230 HydrophobicContact CD1-CG2 4.02Å; Y215-V230 HydrophobicContact CE1-CG2 4.36Å; Y215-W233 AromaticContact CD1-CD1 3.86Å; Y215-W233 AromaticContact CE1-CD1 3.56Å; Y215-W233 HydrophobicContact CE1-CG 4.29Å; Y215-W233 AromaticContact CE2-CD1 3.71Å; Y215-W233 AromaticContact CE2-NE1 3.85Å; Y215-W233 AromaticContact CZ-CD1 3.48Å; Y215-W233 VanDerWaalsContact CZ-CD1 3.48Å; Y215-W233 AromaticContact CZ-NE1 3.7Å; Y215-N254 HydrophobicContact CE1-CB 4.34Å; Y215-F271 AromaticContact CE1-CD1 3.99Å; Y215-F271 HydrophobicContact CE1-CD1 3.99Å; Y215-F271 HydrophobicContact CE1-CE1 4.15Å
216M97.9Very high95.6Very high25 Ų2554.8 Ų54.812%0.12328%0.28CS..EExtended strand (participates in β ladder)trans-106.9122161.7-170.1171.6-67.100108.8R110 D231 T232R110-M216 HydrophobicContact CB-CG 4.33Å; M216-D231 HydrophobicContact CB-CB 4.44Å; M216-D231 HydrophobicContact CG-CB 4.37Å; M216-D231 PolarHBondContact O-N 3.07Å; M216-T232 VanDerWaalsContact CB-OG1 3.24Å; M216-T232 WeakPolarHBondContact CB-OG1 3.45Å; M216-T232 PolarHBondContact N-O 3.2Å; M216-T232 PolarHBondContact O-N 2.86Å
217F97.9Very high95.8Very high0 Ų049.1 Ų49.10%026%0.256CS..EExtended strand (participates in β ladder)trans-110.2145.8179.9-59.4-84.4000111.6W55 M99 R110 V111 Y215 A228 R229 V230 N254W55-F217 HydrophobicContact CH2-CD2 4.32Å; W55-F217 HydrophobicContact CH2-CE2 4.48Å; W55-F217 AromaticContact CZ2-CD2 3.58Å; W55-F217 HydrophobicContact CZ2-CD2 3.58Å; W55-F217 AromaticContact CZ2-CE2 3.66Å; W55-F217 HydrophobicContact CZ2-CE2 3.66Å; W55-F217 HydrophobicContact CZ2-CG 4.28Å; W55-F217 HydrophobicContact CZ2-CZ 4.44Å; M99-F217 HydrophobicContact CE-CZ 4.42Å; R110-F217 CarbonylContact C-O 3.5Å; R110-F217 VanDerWaalsContact CA-O 3.24Å; R110-F217 WeakPolarHBondContact CA-O 3.34Å; V111-F217 HydrophobicContact CG1-CB 3.93Å; V111-F217 PolarHBondContact N-O 3.02Å; V111-F217 PolarHBondContact O-N 3.04Å; Y215-F217 HydrophobicContact CD1-CE1 4.17Å; Y215-F217 AromaticContact CD1-CZ 3.83Å; Y215-F217 HydrophobicContact CD1-CZ 3.83Å; Y215-F217 HydrophobicContact CD2-CZ 4.41Å; Y215-F217 HydrophobicContact CG-CE1 4.39Å; Y215-F217 AromaticContact CG-CE2 3.98Å; Y215-F217 HydrophobicContact CG-CE2 3.98Å; Y215-F217 AromaticContact CG-CZ 3.63Å; Y215-F217 HydrophobicContact CG-CZ 3.63Å; F217-A228 WeakPolarHBondContact CD1-O 3.44Å; F217-R229 CarbonylContact C-O 3.56Å; F217-R229 VanDerWaalsContact CA-O 3.31Å; F217-R229 WeakPolarHBondContact CA-O 3.42Å; F217-V230 HydrophobicContact CD1-CG2 4.05Å; F217-V230 HydrophobicContact CE1-CG2 3.74Å; F217-N254 HydrophobicContact CE1-CB 4.29Å
218F97.9Very high95.9Very high27 Ų2745.5 Ų45.512%0.11824%0.238CC..EExtended strand (participates in β ladder)trans-72.7136.3161-70.1-75.1000110.3R110 G220 D226 A228 R229 D231R110-F218 HydrophobicContact CG-CD1 4.4Å; F218-G220 VanDerWaalsContact C-N 3.34Å; F218-D226 HydrophobicContact CB-CB 3.88Å; F218-D226 WeakPolarHBondContact CB-O 3.24Å; F218-D226 HydrophobicContact CG-CB 4.27Å; F218-A228 PolarHBondContact O-N 2.84Å; F218-R229 HydrophobicContact CB-CB 4.49Å; F218-R229 HydrophobicContact CD2-CB 4.15Å; F218-R229 HydrophobicContact CD2-CG 4.35Å; F218-R229 PolarHBondContact N-O 2.84Å; F218-D231 HydrophobicContact CD2-CB 3.94Å; F218-D231 HydrophobicContact CE2-CB 3.48Å; F218-D231 VanDerWaalsContact CE2-CB 3.48Å; F218-D231 WeakPolarHBondContact CE2-OD1 3.42Å; F218-D231 HydrophobicContact CZ-CB 3.87Å; F218-D231 WeakPolarHBondContact CZ-OD1 3.45Å
219T97.4Very high96.2Very high0 Ų046.2 Ų46.20%024%0.235CC..  trans-80.1-17-176.561.50000113.9V44 L45 F104 G108 T109 V111 Q221V44-T219 WeakPolarHBondContact CG2-O 3.44Å; L45-T219 HydrophobicContact CB-CG2 3.98Å; L45-T219 PolarHBondContact N-O 2.72Å; L45-T219 WeakPolarHBondContact O-CB 3.33Å; L45-T219 WeakPolarHBondContact O-CG2 3.47Å; F104-T219 HydrophobicContact CD1-CG2 4.34Å; F104-T219 HydrophobicContact CE1-CG2 4.18Å; G108-T219 WeakPolarHBondContact O-CB 3.25Å; G108-T219 WeakPolarHBondContact O-CG2 3.44Å; G108-T219 PolarHBondContact O-OG1 2.63Å; T109-T219 PolarHBondContact O-N 3.03Å; T109-T219 PolarHBondContact O-OG1 2.99Å; V111-T219 HydrophobicContact CB-CG2 4.15Å; V111-T219 HydrophobicContact CG1-CG2 4.03Å; T219-Q221 VanDerWaalsContact C-N 3.32Å; T219-Q221 WeakPolarHBondContact OG1-CB 3.03Å; T219-Q221 PolarHBondContact OG1-N 2.76Å
220G96.6Very high96.4Very high6 Ų643 Ų436%0.06221%0.207CC..SBendtrans83.81.6-170.600000114.2F218 Q222 N223 Y224F218-G220 VanDerWaalsContact C-N 3.34Å; G220-Q222 PolarHBondContact O-N 3.14Å; G220-N223 WeakPolarHBondContact CA-O 3.45Å; G220-N223 CarbonylContact O-C 3.57Å; G220-N223 VanDerWaalsContact O-C 3.27Å; G220-N223 PolarHBondContact O-N 2.87Å; G220-Y224 PolarHBondContact O-N 3.4Å
221Q94.9Very high96.5Very high100 Ų10042.8 Ų42.847%0.46720%0.204SC..SBendtrans-64.7-39.2-176.7-178172.8-1200113.3V44 G108 T219V44-Q221 HydrophobicContact CG2-CB 3.79Å; G108-Q221 PolarHBondContact O-OE1 3.37Å; G108-Q221 VanDerWaalsContact O-OE1 3.08Å; T219-Q221 VanDerWaalsContact C-N 3.32Å; T219-Q221 WeakPolarHBondContact OG1-CB 3.03Å; T219-Q221 PolarHBondContact OG1-N 2.76Å
222Q94.3Very high96.7Very high154 Ų15440.6 Ų40.672%0.7219%0.192SC*.SBendtrans-80.4-39177.8-68.6179.3-32.500111.8T109 G220T109-Q222 HydrophobicContact CG2-CG 3.83Å; G220-Q222 PolarHBondContact O-N 3.14Å
223N96.1Very high97Very high60 Ų6040.4 Ų40.432%0.32119%0.189SC..  trans-148.9120-178.1171.818.6000109.1G220 K225 D226G220-N223 WeakPolarHBondContact CA-O 3.45Å; G220-N223 CarbonylContact O-C 3.57Å; G220-N223 VanDerWaalsContact O-C 3.27Å; G220-N223 PolarHBondContact O-N 2.87Å; N223-K225 PolarHBondContact O-N 3.14Å; N223-K225 VanDerWaalsContact O-N 3.08Å; N223-K225 PolarHBondContact OD1-N 3.46Å; N223-K225 VanDerWaalsContact OD1-N 3.17Å; N223-D226 VanDerWaalsContact CB-OD2 3.31Å; N223-D226 WeakPolarHBondContact CB-OD2 3.42Å; N223-D226 PolarHBondContact ND2-OD2 2.83Å; N223-D226 WeakPolarHBondContact O-CB 3.02Å; N223-D226 PolarHBondContact O-N 3.39Å
224Y96.4Very high97.1Very high48 Ų4844 Ų4419%0.18821%0.206CC..G310 helixtrans-57.6-27.6-177.675.6-82.9000113.2K40 G220 D226 F227 H259 P260 I261K40-Y224 HydrophobicContact CB-CD1 4.48Å; K40-Y224 HydrophobicContact CB-CG 4.3Å; K40-Y224 HydrophobicContact CD-CD1 3.68Å; K40-Y224 HydrophobicContact CD-CE1 3.81Å; K40-Y224 HydrophobicContact CD-CG 4.09Å; K40-Y224 HydrophobicContact CG-CD1 3.83Å; K40-Y224 HydrophobicContact CG-CD2 4.08Å; K40-Y224 HydrophobicContact CG-CE1 4.31Å; K40-Y224 HydrophobicContact CG-CG 3.69Å; G220-Y224 PolarHBondContact O-N 3.4Å; Y224-D226 PolarHBondContact O-N 3.04Å; Y224-F227 VanDerWaalsContact O-CB 3.25Å; Y224-F227 WeakPolarHBondContact O-CB 3.48Å; Y224-F227 PolarHBondContact O-N 2.8Å; Y224-H259 WeakPolarHBondContact O-CB 3.22Å; Y224-P260 HydrophobicContact CD2-CG 3.89Å; Y224-P260 WeakPolarHBondContact CD2-O 3.48Å; Y224-P260 WeakPolarHBondContact CE2-O 3.49Å; Y224-P260 HydrophobicContact CG-CG 4.49Å; Y224-I261 HydrophobicContact CE2-CB 4.4Å
225K96.6Very high97Very high109 Ų10942.7 Ų42.747%0.47422%0.217SC..G310 helixtrans-66.8-20.1177.3-67-169.1169.7-164.30113.4N223 F227N223-K225 PolarHBondContact O-N 3.14Å; N223-K225 VanDerWaalsContact O-N 3.08Å; N223-K225 PolarHBondContact OD1-N 3.46Å; N223-K225 VanDerWaalsContact OD1-N 3.17Å; K225-F227 VanDerWaalsContact C-N 3.31Å
226D97.1Very high97Very high31 Ų3147.1 Ų47.117%0.16624%0.236CC..G310 helixtrans-90.14.6177.7-62-48.1000112.5F218 N223 Y224 A228 R229F218-D226 HydrophobicContact CB-CB 3.88Å; F218-D226 WeakPolarHBondContact CB-O 3.24Å; F218-D226 HydrophobicContact CG-CB 4.27Å; N223-D226 VanDerWaalsContact CB-OD2 3.31Å; N223-D226 WeakPolarHBondContact CB-OD2 3.42Å; N223-D226 PolarHBondContact ND2-OD2 2.83Å; N223-D226 WeakPolarHBondContact O-CB 3.02Å; N223-D226 PolarHBondContact O-N 3.39Å; Y224-D226 PolarHBondContact O-N 3.04Å; D226-A228 PolarHBondContact O-N 3.26Å; D226-A228 VanDerWaalsContact O-N 3.16Å; D226-R229 WeakPolarHBondContact O-CB 3.43Å; D226-R229 PolarHBondContact O-N 3.46Å; D226-R229 VanDerWaalsContact O-N 3.11Å; D226-R229 IonicContact OD1-CZ 3.85Å; D226-R229 IonicContact OD1-NE 3.56Å; D226-R229 PolarHBondContact OD1-NE 3.11Å; D226-R229 IonicContact OD1-NH2 3.96Å; D226-R229 PolarHBondContact OD1-NH2 3.26Å; D226-R229 IonicContact OD2-NH2 3.02Å
227F97.7Very high96.9Very high10 Ų1049.9 Ų49.94%0.04426%0.258CS..THydrogen-bonded Turntrans-54.7121.7177.2176.7-90.2000111.5V43 L45 A51 Y224 K225 R229 F258 H259V43-F227 HydrophobicContact CG1-CD1 4.41Å; V43-F227 HydrophobicContact CG1-CD2 3.84Å; V43-F227 HydrophobicContact CG1-CE1 4.31Å; V43-F227 HydrophobicContact CG1-CE2 3.72Å; V43-F227 HydrophobicContact CG1-CG 4.19Å; V43-F227 HydrophobicContact CG1-CZ 3.97Å; L45-F227 HydrophobicContact CD2-CE2 3.59Å; L45-F227 HydrophobicContact CD2-CZ 3.73Å; L45-F227 HydrophobicContact CG-CD2 4.31Å; L45-F227 HydrophobicContact CG-CE2 3.84Å; L45-F227 HydrophobicContact CG-CZ 4.35Å; A51-F227 HydrophobicContact CB-CE2 4.15Å; A51-F227 HydrophobicContact CB-CZ 4.26Å; Y224-F227 VanDerWaalsContact O-CB 3.25Å; Y224-F227 WeakPolarHBondContact O-CB 3.48Å; Y224-F227 PolarHBondContact O-N 2.8Å; K225-F227 VanDerWaalsContact C-N 3.31Å; F227-R229 PolarHBondContact O-N 3.33Å; F227-R229 VanDerWaalsContact O-N 3.07Å; F227-F258 WeakPolarHBondContact CD1-O 3.33Å; F227-H259 HydrophobicContact CB-CB 4.2Å
228A96.8Very high96.9Very high0 Ų052.7 Ų52.70%028%0.277CS..THydrogen-bonded Turntrans56.318.6-179.700000114.8L45 F217 F218 D226 T253 S257L45-A228 HydrophobicContact CD1-CB 4.38Å; F217-A228 WeakPolarHBondContact CD1-O 3.44Å; F218-A228 PolarHBondContact O-N 2.84Å; D226-A228 PolarHBondContact O-N 3.26Å; D226-A228 VanDerWaalsContact O-N 3.16Å; A228-T253 HydrophobicContact CB-CG2 4.46Å; A228-T253 WeakPolarHBondContact O-CA 3.21Å; A228-T253 VanDerWaalsContact O-CB 3.25Å; A228-T253 WeakPolarHBondContact O-CB 3.46Å; A228-T253 WeakPolarHBondContact O-CG2 3.44Å; A228-S257 WeakPolarHBondContact CB-OG 3.32Å
229R97.8Very high96.9Very high92 Ų9251.9 Ų51.935%0.34727%0.274SS..BIsolated β-bridgetrans-70.7135173.4-175.6162.570.6102.1-3.5109.3F217 F218 D226 F227 D231 G252F217-R229 CarbonylContact C-O 3.56Å; F217-R229 VanDerWaalsContact CA-O 3.31Å; F217-R229 WeakPolarHBondContact CA-O 3.42Å; F218-R229 HydrophobicContact CB-CB 4.49Å; F218-R229 HydrophobicContact CD2-CB 4.15Å; F218-R229 HydrophobicContact CD2-CG 4.35Å; F218-R229 PolarHBondContact N-O 2.84Å; D226-R229 WeakPolarHBondContact O-CB 3.43Å; D226-R229 PolarHBondContact O-N 3.46Å; D226-R229 VanDerWaalsContact O-N 3.11Å; D226-R229 IonicContact OD1-CZ 3.85Å; D226-R229 IonicContact OD1-NE 3.56Å; D226-R229 PolarHBondContact OD1-NE 3.11Å; D226-R229 IonicContact OD1-NH2 3.96Å; D226-R229 PolarHBondContact OD1-NH2 3.26Å; D226-R229 IonicContact OD2-NH2 3.02Å; F227-R229 PolarHBondContact O-N 3.33Å; F227-R229 VanDerWaalsContact O-N 3.07Å; R229-D231 PolarHBondContact O-N 2.98Å; R229-G252 WeakPolarHBondContact CG-O 3.13Å
230V98.1Very high96.8Very high3 Ų356.7 Ų56.72%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-72.9125.9176.6-176.40000108.6Y215 F217 I250 G252Y215-V230 HydrophobicContact CD1-CG1 4.03Å; Y215-V230 HydrophobicContact CD1-CG2 4.02Å; Y215-V230 HydrophobicContact CE1-CG2 4.36Å; F217-V230 HydrophobicContact CD1-CG2 4.05Å; F217-V230 HydrophobicContact CE1-CG2 3.74Å; V230-I250 HydrophobicContact CB-CG2 3.99Å; V230-I250 HydrophobicContact CG1-CG2 3.63Å; V230-G252 PolarHBondContact N-O 2.89Å
231D97Very high96.7Very high33 Ų3359.6 Ų59.618%0.17631%0.309CS..EExtended strand (participates in β ladder)trans-92.5-50.3171.8-176.752.2000110.5R110 M216 F218 R229R110-D231 IonicContact CZ-OD1 3.33Å; R110-D231 IonicContact CZ-OD2 3.12Å; R110-D231 IonicContact NE-OD2 3.45Å; R110-D231 IonicContact NH1-OD2 3.04Å; R110-D231 PolarHBondContact NH1-OD2 2.88Å; R110-D231 IonicContact NH2-OD1 2.66Å; R110-D231 PolarHBondContact NH2-OD1 3.16Å; R110-D231 IonicContact NH2-OD2 2.68Å; R110-D231 PolarHBondContact NH2-OD2 3.01Å; R110-D231 VanDerWaalsContact NH2-OD2 3.11Å; M216-D231 HydrophobicContact CB-CB 4.44Å; M216-D231 HydrophobicContact CG-CB 4.37Å; M216-D231 PolarHBondContact O-N 3.07Å; F218-D231 HydrophobicContact CD2-CB 3.94Å; F218-D231 HydrophobicContact CE2-CB 3.48Å; F218-D231 VanDerWaalsContact CE2-CB 3.48Å; F218-D231 WeakPolarHBondContact CE2-OD1 3.42Å; F218-D231 HydrophobicContact CZ-CB 3.87Å; F218-D231 WeakPolarHBondContact CZ-OD1 3.45Å; R229-D231 PolarHBondContact O-N 2.98Å
232T97.8Very high96.8Very high20 Ų2055.4 Ų55.412%0.12329%0.289CS..EExtended strand (participates in β ladder)trans-140.6153.6175.663.60000111.3M216 K236M216-T232 VanDerWaalsContact CB-OG1 3.24Å; M216-T232 WeakPolarHBondContact CB-OG1 3.45Å; M216-T232 PolarHBondContact N-O 3.2Å; M216-T232 PolarHBondContact O-N 2.86Å; T232-K236 CarbonylContact C-O 3.58Å; T232-K236 WeakPolarHBondContact CA-O 3.48Å; T232-K236 VanDerWaalsContact CB-O 3.29Å; T232-K236 WeakPolarHBondContact CB-O 3.38Å
233W97.9Very high96.8Very high32 Ų3251.2 Ų51.212%0.12127%0.274CS..EExtended strand (participates in β ladder)trans-128.7127.6171.2176.668.3000108.8D212 E214 Y215 G235 K236 L239 W241 I250 F271D212-W233 VanDerWaalsContact O-CE2 3.29Å; D212-W233 WeakPolarHBondContact O-CZ2 3.12Å; D212-W233 PolarHBondContact O-NE1 3.21Å; E214-W233 CarbonylContact O-C 3.26Å; E214-W233 WeakPolarHBondContact O-CA 3.43Å; Y215-W233 AromaticContact CD1-CD1 3.86Å; Y215-W233 AromaticContact CE1-CD1 3.56Å; Y215-W233 HydrophobicContact CE1-CG 4.29Å; Y215-W233 AromaticContact CE2-CD1 3.71Å; Y215-W233 AromaticContact CE2-NE1 3.85Å; Y215-W233 AromaticContact CZ-CD1 3.48Å; Y215-W233 VanDerWaalsContact CZ-CD1 3.48Å; Y215-W233 AromaticContact CZ-NE1 3.7Å; W233-G235 PolarHBondContact O-N 3.44Å; W233-K236 PolarHBondContact N-O 2.95Å; W233-K236 PolarHBondContact O-N 2.02Å; W233-L239 HydrophobicContact CE3-CD2 4.04Å; W233-L239 HydrophobicContact CZ3-CD2 4.12Å; W233-W241 AromaticContact CH2-CH2 3.66Å; W233-W241 HydrophobicContact CH2-CH2 3.66Å; W233-W241 HydrophobicContact CH2-CZ2 4.3Å; W233-W241 AromaticContact CZ3-CH2 3.54Å; W233-W241 HydrophobicContact CZ3-CH2 3.54Å; W233-W241 HydrophobicContact CZ3-CZ2 4.16Å; W233-W241 HydrophobicContact CZ3-CZ3 4.28Å; W233-I250 HydrophobicContact CB-CD1 4.03Å; W233-F271 HydrophobicContact CB-CE1 4.06Å; W233-F271 AromaticContact CD2-CE1 3.74Å; W233-F271 HydrophobicContact CD2-CE1 3.74Å; W233-F271 AromaticContact CD2-CZ 3.85Å; W233-F271 HydrophobicContact CD2-CZ 3.85Å; W233-F271 HydrophobicContact CE3-CE1 4.17Å; W233-F271 AromaticContact CE3-CZ 3.8Å; W233-F271 HydrophobicContact CE3-CZ 3.8Å; W233-F271 AromaticContact CG-CE1 3.69Å; W233-F271 HydrophobicContact CG-CE1 3.69Å; W233-F271 HydrophobicContact CG-CZ 4.25Å; W233-F271 HydrophobicContact CZ3-CZ 4.27Å
234N96.7Very high96.8Very high83 Ų8350.1 Ų50.144%0.44427%0.271SS..THydrogen-bonded Turntrans49.442.1-171.7-67.3-35.5000113G213 E214 K236G213-N234 WeakPolarHBondContact CA-OD1 3.19Å; E214-N234 PolarHBondContact N-OD1 3.14Å; E214-N234 PolarHBondContact O-N 3.47Å; N234-K236 PolarHBondContact O-N 3.3Å
235G96.4Very high96.7Very high60 Ų6054.8 Ų54.862%0.61930%0.299SS*.THydrogen-bonded Turntrans71.82.4-179.300000115.4W233W233-G235 PolarHBondContact O-N 3.44Å
236K97.1Very high96.7Very high96 Ų9655.6 Ų55.642%0.41731%0.305SS..BIsolated β-bridgetrans-105137.3177.7-60.5-175-179.7178.40111.3T232 W233 N234 S238 D240T232-K236 CarbonylContact C-O 3.58Å; T232-K236 WeakPolarHBondContact CA-O 3.48Å; T232-K236 VanDerWaalsContact CB-O 3.29Å; T232-K236 WeakPolarHBondContact CB-O 3.38Å; W233-K236 PolarHBondContact N-O 2.95Å; W233-K236 PolarHBondContact O-N 2.02Å; N234-K236 PolarHBondContact O-N 3.3Å; K236-S238 WeakPolarHBondContact CB-O 3.26Å; K236-D240 VanDerWaalsContact NZ-CG 3.34Å; K236-D240 IonicContact NZ-OD1 2.68Å; K236-D240 PolarHBondContact NZ-OD1 3.09Å; K236-D240 IonicContact NZ-OD2 3.21Å; K236-D240 PolarHBondContact NZ-OD2 3.15Å
237S96.4Very high96.7Very high84 Ų8454.3 Ų54.359%0.58730%0.298SS*.SBendtrans-87.8-6.2172.955.50000113.6
238S97.6Very high96.7Very high58 Ų5854.5 Ų54.541%0.40630%0.299SS..BIsolated β-bridgetrans-149.9157.2176.253.50000110.3K236 N248K236-S238 WeakPolarHBondContact CB-O 3.26Å; S238-N248 CarbonylContact C-O 3.24Å; S238-N248 WeakPolarHBondContact CA-O 3.49Å
239L97.3Very high96.8Very high11 Ų1158.7 Ų58.76%0.05832%0.32CS..  trans-81.8166174.3-52.8173.3000110.4W233 W241 N248 I250 F271 C276W233-L239 HydrophobicContact CE3-CD2 4.04Å; W233-L239 HydrophobicContact CZ3-CD2 4.12Å; L239-W241 HydrophobicContact CB-CE3 4.36Å; L239-W241 HydrophobicContact CD1-CE3 4.11Å; L239-W241 HydrophobicContact CD1-CZ3 4.25Å; L239-W241 HydrophobicContact CD2-CE3 4.2Å; L239-W241 HydrophobicContact CD2-CH2 4.46Å; L239-W241 HydrophobicContact CD2-CZ3 3.89Å; L239-W241 HydrophobicContact CG-CE3 4.46Å; L239-N248 VanDerWaalsContact C-OD1 3.29Å; L239-N248 HydrophobicContact CB-CB 4.24Å; L239-N248 PolarHBondContact N-O 3.18Å; L239-N248 WeakPolarHBondContact O-CB 3.49Å; L239-N248 PolarHBondContact O-OD1 3.24Å; L239-I250 HydrophobicContact CD2-CD1 4.14Å; L239-I250 HydrophobicContact CD2-CG1 4.17Å; L239-I250 HydrophobicContact CG-CG1 4.1Å; L239-F271 HydrophobicContact CD1-CE2 4Å; L239-F271 HydrophobicContact CD2-CE2 3.99Å; L239-F271 HydrophobicContact CD2-CZ 4.15Å; L239-F271 HydrophobicContact CG-CE2 4.47Å; L239-C276 WeakPolarHBondContact CD1-O 3.4Å
240D95.6Very high96.8Very high101 Ų10155 Ų5554%0.5431%0.307SS..SBendtrans-127.714.6178.753-7.7000112.8K236K236-D240 VanDerWaalsContact NZ-CG 3.34Å; K236-D240 IonicContact NZ-OD1 2.68Å; K236-D240 PolarHBondContact NZ-OD1 3.09Å; K236-D240 IonicContact NZ-OD2 3.21Å; K236-D240 PolarHBondContact NZ-OD2 3.15Å
241W95Very high96.8Very high66 Ų6657 Ų5725%0.2532%0.318CS..SBendtrans-91.6-27.7-176.8-58.9-38.8000113.8W233 L239 N248 C276 V333 C334W233-W241 AromaticContact CH2-CH2 3.66Å; W233-W241 HydrophobicContact CH2-CH2 3.66Å; W233-W241 HydrophobicContact CH2-CZ2 4.3Å; W233-W241 AromaticContact CZ3-CH2 3.54Å; W233-W241 HydrophobicContact CZ3-CH2 3.54Å; W233-W241 HydrophobicContact CZ3-CZ2 4.16Å; W233-W241 HydrophobicContact CZ3-CZ3 4.28Å; L239-W241 HydrophobicContact CB-CE3 4.36Å; L239-W241 HydrophobicContact CD1-CE3 4.11Å; L239-W241 HydrophobicContact CD1-CZ3 4.25Å; L239-W241 HydrophobicContact CD2-CE3 4.2Å; L239-W241 HydrophobicContact CD2-CH2 4.46Å; L239-W241 HydrophobicContact CD2-CZ3 3.89Å; L239-W241 HydrophobicContact CG-CE3 4.46Å; W241-N248 PolarHBondContact N-OD1 3.14Å; W241-C276 HydrophobicContact CE3-CB 3.65Å; W241-C276 HydrophobicContact CH2-CB 4.34Å; W241-C276 HydrophobicContact CZ3-CB 3.47Å; W241-C276 VanDerWaalsContact CZ3-CB 3.47Å; W241-V333 HydrophobicContact CB-CB 4.29Å; W241-V333 HydrophobicContact CB-CG2 3.86Å; W241-V333 HydrophobicContact CG-CG2 4.43Å; W241-C334 HydrophobicContact CD2-CB 3.86Å; W241-C334 HydrophobicContact CE3-CB 4Å; W241-C334 HydrophobicContact CG-CB 4.48Å; W241-C334 HydrophobicContact CH2-CB 4Å; W241-C334 HydrophobicContact CZ2-CB 3.9Å; W241-C334 HydrophobicContact CZ3-CB 4.08Å
242W96.5Very high96.8Very high12 Ų1256.1 Ų56.15%0.04532%0.316CS..SBendtrans-100.1162.1-171.5-50.9116000111.9C247 N248 C276 R277 F316 V318 L329 N330 V333W242-C247 HydrophobicContact CB-CB 3.66Å; W242-C247 HydrophobicContact CG-CB 4.17Å; W242-N248 WeakPolarHBondContact CB-OD1 3.49Å; W242-N248 PolarHBondContact N-OD1 3.26Å; W242-N248 PolarHBondContact O-ND2 2.67Å; W242-C276 VanDerWaalsContact CE2-O 3.28Å; W242-C276 HydrophobicContact CZ2-CB 4.04Å; W242-C276 VanDerWaalsContact CZ2-O 3.26Å; W242-C276 WeakPolarHBondContact CZ2-O 3.39Å; W242-C276 PolarHBondContact NE1-O 3.2Å; W242-R277 HydrophobicContact CZ2-CB 4.21Å; W242-F316 AromaticContact CD1-CE1 3.92Å; W242-F316 AromaticContact CD2-CD1 3.53Å; W242-F316 HydrophobicContact CD2-CD1 3.53Å; W242-F316 HydrophobicContact CD2-CE1 4.11Å; W242-F316 AromaticContact CE2-CD1 3.68Å; W242-F316 HydrophobicContact CE3-CB 4.24Å; W242-F316 AromaticContact CE3-CD1 3.87Å; W242-F316 HydrophobicContact CE3-CD1 3.87Å; W242-F316 AromaticContact CG-CD1 3.81Å; W242-F316 HydrophobicContact CG-CD1 3.81Å; W242-F316 HydrophobicContact CG-CE1 4Å; W242-F316 HydrophobicContact CH2-CD1 4.43Å; W242-F316 HydrophobicContact CZ2-CD1 4.14Å; W242-F316 HydrophobicContact CZ3-CB 4.35Å; W242-F316 HydrophobicContact CZ3-CD1 4.3Å; W242-F316 WeakPolarHBondContact CZ3-O 3.27Å; W242-F316 AromaticContact NE1-CE1 3.93Å; W242-V318 HydrophobicContact CE3-CG2 3.87Å; W242-V318 HydrophobicContact CZ3-CG2 4.21Å; W242-L329 HydrophobicContact CH2-CD1 4.09Å; W242-N330 WeakPolarHBondContact CH2-O 3.07Å; W242-V333 HydrophobicContact CE3-CG2 4.39Å; W242-V333 HydrophobicContact CH2-CG2 4Å; W242-V333 HydrophobicContact CZ3-CG2 3.89Å
243T95.3Very high96.7Very high67 Ų6755.5 Ų55.541%0.41131%0.312SS..SBendtrans-86.1-9.1-170.161.40000114.6G315 V318T243-G315 PolarHBondContact N-O 3.19Å; T243-G315 VanDerWaalsContact OG1-CA 3.26Å; T243-G315 WeakPolarHBondContact OG1-CA 3.35Å; T243-G315 PolarHBondContact OG1-O 2.8Å; T243-V318 HydrophobicContact CG2-CG2 4.15Å
244S94.9Very high96.5Very high37 Ų3755.5 Ų55.526%0.25932%0.315SS..SBendtrans-129.3149.7177.373.50000112.1E246 C247 N248S244-E246 VanDerWaalsContact C-N 3.26Å; S244-E246 PolarHBondContact O-N 3.34Å; S244-C247 PolarHBondContact O-N 3.42Å; S244-C247 VanDerWaalsContact O-N 3.16Å; S244-C247 WeakPolarHBondContact OG-CB 3.35Å; S244-C247 PolarHBondContact OG-N 2.72Å; S244-C247 PolarHBondContact OG-SG 3.32Å; S244-N248 PolarHBondContact O-N 2.9Å; S244-N248 VanDerWaalsContact O-N 3.13Å; S244-N248 PolarHBondContact O-ND2 2.74Å; S244-N248 VanDerWaalsContact O-ND2 3.14Å
245D96.1Very high96.3Very high145 Ų14552.5 Ų52.578%0.77530%0.304SS*.THydrogen-bonded Turntrans-57.8-40.3178.9-64.2-16.9000111.8C247 N248 M249D245-C247 PolarHBondContact O-N 3.29Å; D245-N248 PolarHBondContact O-N 3.46Å; D245-M249 WeakPolarHBondContact O-CG 3.4Å; D245-M249 PolarHBondContact O-N 3.37Å
246E95.6Very high96Very high127 Ų12751.2 Ų51.259%0.59329%0.287SS*.THydrogen-bonded Turntrans-61.6-42.1177.9-173.2177.6-174.800112.2S244 N248 M249S244-E246 VanDerWaalsContact C-N 3.26Å; S244-E246 PolarHBondContact O-N 3.34Å; E246-N248 VanDerWaalsContact C-N 3.26Å; E246-N248 PolarHBondContact O-N 3.45Å; E246-M249 WeakPolarHBondContact O-CB 3.3Å; E246-M249 PolarHBondContact O-N 3.16Å
247C96.7Very high95.6Very high3 Ų347.5 Ų47.52%0.0227%0.273CS..THydrogen-bonded Turntrans-71.1-24.6178.3-71.30000112.7W242 S244 D245 A312 G315 F316W242-C247 HydrophobicContact CB-CB 3.66Å; W242-C247 HydrophobicContact CG-CB 4.17Å; S244-C247 PolarHBondContact O-N 3.42Å; S244-C247 VanDerWaalsContact O-N 3.16Å; S244-C247 WeakPolarHBondContact OG-CB 3.35Å; S244-C247 PolarHBondContact OG-N 2.72Å; S244-C247 PolarHBondContact OG-SG 3.32Å; D245-C247 PolarHBondContact O-N 3.29Å; C247-A312 PolarHBondContact SG-O 3.44Å; C247-G315 WeakPolarHBondContact SG-CA 3.2Å; C247-F316 HydrophobicContact CB-CD1 3.98Å; C247-F316 HydrophobicContact CB-CD2 4.41Å; C247-F316 HydrophobicContact CB-CE1 3.52Å; C247-F316 HydrophobicContact CB-CE2 3.97Å; C247-F316 HydrophobicContact CB-CG 4.39Å; C247-F316 HydrophobicContact CB-CZ 3.51Å; C247-F316 WeakPolarHBondContact O-CE1 3.47Å; C247-F316 VanDerWaalsContact SG-CD2 3.59Å; C247-F316 WeakPolarHBondContact SG-CE2 3.46Å; C247-F316 WeakPolarHBondContact SG-CZ 3.34Å
248N97.9Very high95.6Very high14 Ų1443.7 Ų43.78%0.07525%0.246CC..THydrogen-bonded Turntrans-84.2-5.4176.4-78.6-43.7000113.8S238 L239 W241 W242 S244 D245 E246 I250S238-N248 CarbonylContact C-O 3.24Å; S238-N248 WeakPolarHBondContact CA-O 3.49Å; L239-N248 VanDerWaalsContact C-OD1 3.29Å; L239-N248 HydrophobicContact CB-CB 4.24Å; L239-N248 PolarHBondContact N-O 3.18Å; L239-N248 WeakPolarHBondContact O-CB 3.49Å; L239-N248 PolarHBondContact O-OD1 3.24Å; W241-N248 PolarHBondContact N-OD1 3.14Å; W242-N248 WeakPolarHBondContact CB-OD1 3.49Å; W242-N248 PolarHBondContact N-OD1 3.26Å; W242-N248 PolarHBondContact O-ND2 2.67Å; S244-N248 PolarHBondContact O-N 2.9Å; S244-N248 VanDerWaalsContact O-N 3.13Å; S244-N248 PolarHBondContact O-ND2 2.74Å; S244-N248 VanDerWaalsContact O-ND2 3.14Å; D245-N248 PolarHBondContact O-N 3.46Å; E246-N248 VanDerWaalsContact C-N 3.26Å; E246-N248 PolarHBondContact O-N 3.45Å; N248-I250 PolarHBondContact O-N 3.13Å
249M98.1Very high95.6Very high88 Ų8842 Ų4243%0.43323%0.231SC..BIsolated β-bridgetrans-66.1135.5178.9-65.4-178.472.700112.2D245 E246 N251 S278D245-M249 WeakPolarHBondContact O-CG 3.4Å; D245-M249 PolarHBondContact O-N 3.37Å; E246-M249 WeakPolarHBondContact O-CB 3.3Å; E246-M249 PolarHBondContact O-N 3.16Å; M249-N251 WeakPolarHBondContact CB-ND2 3.26Å; M249-S278 WeakPolarHBondContact O-CB 3.45Å; M249-S278 PolarHBondContact O-OG 2.81Å
250I98.1Very high95.5Very high16 Ų1641.4 Ų41.48%0.08223%0.229CC..  trans-91.2106.6168-60.9174.5000107.5V230 W233 L239 N248 F271 S278V230-I250 HydrophobicContact CB-CG2 3.99Å; V230-I250 HydrophobicContact CG1-CG2 3.63Å; W233-I250 HydrophobicContact CB-CD1 4.03Å; L239-I250 HydrophobicContact CD2-CD1 4.14Å; L239-I250 HydrophobicContact CD2-CG1 4.17Å; L239-I250 HydrophobicContact CG-CG1 4.1Å; N248-I250 PolarHBondContact O-N 3.13Å; I250-F271 HydrophobicContact CG1-CD2 4.46Å; I250-F271 HydrophobicContact CG2-CB 3.99Å; I250-F271 HydrophobicContact CG2-CD1 4.24Å; I250-F271 HydrophobicContact CG2-CD2 4.31Å; I250-F271 HydrophobicContact CG2-CG 3.91Å; I250-S278 WeakPolarHBondContact CA-OG 3.42Å
251N97.8Very high95.5Very high45 Ų4538 Ų3824%0.24121%0.21CC..  trans-119.5138.5-172.1-73.3-36000111.6M249 Y269 M270 F271 S278M249-N251 WeakPolarHBondContact CB-ND2 3.26Å; N251-Y269 HydrophobicContact CB-CD1 3.88Å; N251-Y269 HydrophobicContact CB-CG 4.09Å; N251-M270 CarbonylContact O-C 3.56Å; N251-M270 VanDerWaalsContact O-C 3.24Å; N251-M270 WeakPolarHBondContact O-CA 3.45Å; N251-M270 PolarHBondContact O-N 2.91Å; N251-F271 PolarHBondContact O-N 2.85Å; N251-S278 PolarHBondContact N-OG 2.89Å
252G97.3Very high95.6Very high13 Ų1335.3 Ų35.313%0.13420%0.2CC..SBendtrans78-155.8172.700000114.2R229 V230 Y269R229-G252 WeakPolarHBondContact CG-O 3.13Å; V230-G252 PolarHBondContact N-O 2.89Å; G252-Y269 WeakPolarHBondContact CA-O 3.37Å
253T96.7Very high95.6Very high8 Ų837.5 Ų37.55%0.04922%0.218CC..BIsolated β-bridgetrans-91.4-177.6-178.874.90000110.9A228 G255 S257 Y269 M270 F271A228-T253 HydrophobicContact CB-CG2 4.46Å; A228-T253 WeakPolarHBondContact O-CA 3.21Å; A228-T253 VanDerWaalsContact O-CB 3.25Å; A228-T253 WeakPolarHBondContact O-CB 3.46Å; A228-T253 WeakPolarHBondContact O-CG2 3.44Å; T253-G255 PolarHBondContact O-N 2.75Å; T253-G255 PolarHBondContact OG1-N 3.44Å; T253-S257 VanDerWaalsContact CB-O 3.3Å; T253-S257 WeakPolarHBondContact CB-O 3.13Å; T253-S257 VanDerWaalsContact CG2-O 3.29Å; T253-S257 WeakPolarHBondContact CG2-O 3.49Å; T253-S257 PolarHBondContact OG1-O 2.82Å; T253-Y269 PolarHBondContact N-O 2.93Å; T253-M270 CarbonylContact O-C 3.46Å; T253-M270 WeakPolarHBondContact O-CA 3.17Å; T253-F271 PolarHBondContact O-N 3.45Å
254N93.4Very high95.7Very high31 Ų3137.7 Ų37.717%0.16621%0.213CC..  trans-80.86.7168.270.5-10.5000113.1Y215 F217 A256Y215-N254 HydrophobicContact CE1-CB 4.34Å; F217-N254 HydrophobicContact CE1-CB 4.29Å; N254-A256 PolarHBondContact O-N 2.89Å; N254-A256 WeakPolarHBondContact OD1-CB 3.36Å; N254-A256 PolarHBondContact OD1-N 2.85Å; N254-A256 VanDerWaalsContact OD1-N 3.14Å
255G91.8Very high95.7Very high21 Ų2143.3 Ų43.322%0.21624%0.24CC..SBendtrans83-2.3179.600000116.3T253T253-G255 PolarHBondContact O-N 2.75Å; T253-G255 PolarHBondContact OG1-N 3.44Å
256A89.8Confident95.7Very high33 Ų3338.2 Ų38.227%0.27321%0.212SC..SBendtrans-78.7-29.3176.300000113.2N254N254-A256 PolarHBondContact O-N 2.89Å; N254-A256 WeakPolarHBondContact OD1-CB 3.36Å; N254-A256 PolarHBondContact OD1-N 2.85Å; N254-A256 VanDerWaalsContact OD1-N 3.14Å
257S89.9Confident95.8Very high17 Ų1735.1 Ų35.112%0.11920%0.201CC..  trans-151.4162.3178.859.70000110.9A228 T253A228-S257 WeakPolarHBondContact CB-OG 3.32Å; T253-S257 VanDerWaalsContact CB-O 3.3Å; T253-S257 WeakPolarHBondContact CB-O 3.13Å; T253-S257 VanDerWaalsContact CG2-O 3.29Å; T253-S257 WeakPolarHBondContact CG2-O 3.49Å; T253-S257 PolarHBondContact OG1-O 2.82Å
258F96.3Very high95.9Very high5 Ų535.2 Ų35.22%0.02220%0.201CC..  trans-135.1164.2-179.3-61.3-87.9000110.5F227 I262 L268 M270 I372 I374 G379 V381F227-F258 WeakPolarHBondContact CD1-O 3.33Å; F258-I262 HydrophobicContact CB-CD1 4Å; F258-L268 HydrophobicContact CD1-CB 4.16Å; F258-L268 HydrophobicContact CD1-CD1 3.99Å; F258-L268 HydrophobicContact CD1-CD2 4.26Å; F258-L268 HydrophobicContact CD1-CG 4.37Å; F258-L268 HydrophobicContact CE1-CB 3.97Å; F258-L268 HydrophobicContact CE1-CD1 4.19Å; F258-L268 HydrophobicContact CG-CD1 4.29Å; F258-M270 HydrophobicContact CE1-CE 4.14Å; F258-M270 HydrophobicContact CZ-CE 3.56Å; F258-I372 HydrophobicContact CE2-CG2 4.03Å; F258-I372 HydrophobicContact CZ-CD1 4.18Å; F258-I374 HydrophobicContact CD2-CD1 3.45Å; F258-I374 VanDerWaalsContact CD2-CD1 3.45Å; F258-I374 HydrophobicContact CD2-CG1 4.15Å; F258-I374 HydrophobicContact CE2-CD1 3.65Å; F258-I374 HydrophobicContact CE2-CG1 4.34Å; F258-I374 HydrophobicContact CG-CD1 3.97Å; F258-I374 HydrophobicContact CZ-CD1 4.29Å; F258-G379 PolarHBondContact N-O 2.66Å; F258-V381 HydrophobicContact CD2-CG2 4.12Å; F258-V381 HydrophobicContact CE2-CG2 4.01Å
259H97Very high95.9Very high21 Ų2139.6 Ų39.610%0.09722%0.218CC..  trans-61.7153.1176.364.677.3000112.3Y224 F227 I262 E266 G379Y224-H259 WeakPolarHBondContact O-CB 3.22Å; F227-H259 HydrophobicContact CB-CB 4.2Å; H259-I262 VanDerWaalsContact O-CG1 3.28Å; H259-I262 WeakPolarHBondContact O-CG1 3.49Å; H259-E266 IonicContact CE1-OE1 2.67Å; H259-E266 PolarHBondContact CE1-OE1 2.83Å; H259-E266 IonicContact CE1-OE2 3.79Å; H259-E266 PolarHBondContact CE1-OE2 2.86Å; H259-E266 IonicContact NE2-OE2 3.92Å; H259-E266 PolarHBondContact NE2-OE2 2.84Å; H259-G379 WeakPolarHBondContact O-CA 3.4Å
260P96.5Very high95.8Very high0 Ų036.6 Ų36.60%020%0.203CC..SBendtrans-71.4166175.832.3-37.7000111.6V39 V43 Y224 L377V39-P260 HydrophobicContact CG1-CB 3.72Å; V43-P260 HydrophobicContact CB-CB 4.23Å; V43-P260 HydrophobicContact CB-CG 3.95Å; V43-P260 HydrophobicContact CG1-CB 4.26Å; V43-P260 HydrophobicContact CG1-CG 4.01Å; V43-P260 HydrophobicContact CG2-CB 4.26Å; Y224-P260 HydrophobicContact CD2-CG 3.89Å; Y224-P260 WeakPolarHBondContact CD2-O 3.48Å; Y224-P260 WeakPolarHBondContact CE2-O 3.49Å; Y224-P260 HydrophobicContact CG-CG 4.49Å; P260-L377 WeakPolarHBondContact CB-O 3.5Å
261I95.6Very high95.8Very high28 Ų2835.9 Ų35.914%0.14420%0.199CC..SBendtrans60.659.4175.2-51.3161.8000111Q36 K40 Y224 P376 L377Q36-I261 HydrophobicContact CB-CD1 3.63Å; Q36-I261 HydrophobicContact CB-CG1 4.46Å; Q36-I261 HydrophobicContact CG-CD1 3.82Å; Q36-I261 HydrophobicContact CG-CG1 4.14Å; Q36-I261 HydrophobicContact CG-CG2 4.28Å; K40-I261 HydrophobicContact CD-CD1 3.9Å; K40-I261 HydrophobicContact CG-CD1 3.44Å; K40-I261 VanDerWaalsContact CG-CD1 3.44Å; Y224-I261 HydrophobicContact CE2-CB 4.4Å; I261-P376 CarbonylContact C-O 3.53Å; I261-P376 WeakPolarHBondContact CA-O 3.31Å; I261-P376 PolarHBondContact N-O 3.45Å; I261-L377 HydrophobicContact CG1-CD1 4.48Å; I261-L377 PolarHBondContact N-O 3.42Å
262I96.8Very high95.7Very high10 Ų1034.5 Ų34.55%0.05119%0.193CC..  trans-75.5135.6178.3-63.6175.6000110.1F258 H259 E266 L268 Y295 F297 I374 P376F258-I262 HydrophobicContact CB-CD1 4Å; H259-I262 VanDerWaalsContact O-CG1 3.28Å; H259-I262 WeakPolarHBondContact O-CG1 3.49Å; I262-E266 WeakPolarHBondContact CA-OE1 3.43Å; I262-E266 VanDerWaalsContact CG2-OE1 3.27Å; I262-E266 WeakPolarHBondContact CG2-OE1 3.4Å; I262-L268 HydrophobicContact CD1-CD1 4.37Å; I262-Y295 HydrophobicContact CG2-CD2 4.24Å; I262-F297 HydrophobicContact CG2-CE2 3.69Å; I262-F297 HydrophobicContact CG2-CZ 3.51Å; I262-I374 HydrophobicContact CD1-CB 4.18Å; I262-I374 HydrophobicContact CD1-CD1 4.2Å; I262-I374 HydrophobicContact CD1-CG2 3.44Å; I262-I374 VanDerWaalsContact CD1-CG2 3.44Å; I262-P376 PolarHBondContact N-O 3.33Å
263S95.9Very high95.5Very high59 Ų5934.6 Ų34.641%0.41319%0.192SC..  trans-101.1150.7175.4-177.70000111.1N265 E266S263-N265 PolarHBondContact O-N 2.89Å; S263-N265 PolarHBondContact OG-N 2.78Å; S263-E266 PolarHBondContact N-OE1 3.47Å; S263-E266 WeakPolarHBondContact O-CG 3.28Å
264K97.1Very high95.3Very high70 Ų7036.2 Ų36.230%0.30420%0.2SC..THydrogen-bonded Turntrans-69.3-20.3174.4-61.8-174.4174.7-1620113.3Y283 D286 Y295K264-Y283 HydrophobicContact CB-CD1 4.05Å; K264-Y283 HydrophobicContact CB-CD2 4.23Å; K264-Y283 HydrophobicContact CB-CE1 4.32Å; K264-Y283 HydrophobicContact CB-CE2 4.47Å; K264-Y283 HydrophobicContact CB-CG 4Å; K264-Y283 HydrophobicContact CD-CD2 4.47Å; K264-Y283 HydrophobicContact CD-CE1 4.02Å; K264-Y283 HydrophobicContact CD-CE2 3.89Å; K264-Y283 HydrophobicContact CG-CD1 4.43Å; K264-Y283 HydrophobicContact CG-CD2 3.97Å; K264-Y283 HydrophobicContact CG-CE1 4.35Å; K264-Y283 HydrophobicContact CG-CE2 3.85Å; K264-Y283 HydrophobicContact CG-CG 4.25Å; K264-Y283 PolarHBondContact NZ-OH 2.72Å; K264-Y283 VanDerWaalsContact NZ-OH 3.1Å; K264-Y283 VanDerWaalsContact O-CB 3.27Å; K264-Y283 WeakPolarHBondContact O-CB 3.39Å; K264-D286 WeakPolarHBondContact CE-OD1 3.29Å; K264-D286 IonicContact NZ-OD1 2.76Å; K264-D286 PolarHBondContact NZ-OD1 3.5Å; K264-D286 IonicContact NZ-OD2 2.72Å; K264-D286 PolarHBondContact NZ-OD2 2.98Å; K264-Y295 HydrophobicContact CD-CE1 4.45Å; K264-Y295 VanDerWaalsContact CE-CZ 3.48Å; K264-Y295 HydrophobicContact CG-CD2 4.12Å; K264-Y295 HydrophobicContact CG-CE1 4.26Å; K264-Y295 HydrophobicContact CG-CE2 3.68Å
265N96.4Very high95.4Very high155 Ų15535 Ų3583%0.82919%0.193SC*.THydrogen-bonded Turntrans-95.92.2-175.1-62.6-5.4000113S263S263-N265 PolarHBondContact O-N 2.89Å; S263-N265 PolarHBondContact OG-N 2.78Å
266E95.4Very high95.5Very high39 Ų3934.1 Ų34.118%0.18218%0.184CC..  trans-96.8158.7-179.684.8-170.3123.800112.4H259 I262 S263 L268H259-E266 IonicContact CE1-OE1 2.67Å; H259-E266 PolarHBondContact CE1-OE1 2.83Å; H259-E266 IonicContact CE1-OE2 3.79Å; H259-E266 PolarHBondContact CE1-OE2 2.86Å; H259-E266 IonicContact NE2-OE2 3.92Å; H259-E266 PolarHBondContact NE2-OE2 2.84Å; I262-E266 WeakPolarHBondContact CA-OE1 3.43Å; I262-E266 VanDerWaalsContact CG2-OE1 3.27Å; I262-E266 WeakPolarHBondContact CG2-OE1 3.4Å; S263-E266 PolarHBondContact N-OE1 3.47Å; S263-E266 WeakPolarHBondContact O-CG 3.28Å; E266-L268 HydrophobicContact CG-CD2 3.97Å
267V97.3Very high95.9Very high62 Ų6233.1 Ų33.138%0.37617%0.173SC..EExtended strand (participates in β ladder)trans-106.2124.4177.2177.50000107.5Y269 Y280 V282V267-Y269 HydrophobicContact CB-CE2 4.22Å; V267-Y269 HydrophobicContact CG1-CD2 4.19Å; V267-Y269 HydrophobicContact CG1-CE2 3.77Å; V267-Y280 HydrophobicContact CG1-CD2 3.58Å; V267-Y280 HydrophobicContact CG1-CG 3.78Å; V267-V282 HydrophobicContact CG2-CG1 4.37Å
268L97.9Very high96.3Very high4 Ų432.9 Ų32.92%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-95.1109.7179.3-61.9-177.5000109.4F258 I262 E266 Y280 A281 F297 I374F258-L268 HydrophobicContact CD1-CB 4.16Å; F258-L268 HydrophobicContact CD1-CD1 3.99Å; F258-L268 HydrophobicContact CD1-CD2 4.26Å; F258-L268 HydrophobicContact CD1-CG 4.37Å; F258-L268 HydrophobicContact CE1-CB 3.97Å; F258-L268 HydrophobicContact CE1-CD1 4.19Å; F258-L268 HydrophobicContact CG-CD1 4.29Å; I262-L268 HydrophobicContact CD1-CD1 4.37Å; E266-L268 HydrophobicContact CG-CD2 3.97Å; L268-Y280 CarbonylContact O-C 3.52Å; L268-Y280 VanDerWaalsContact O-CA 3.22Å; L268-Y280 WeakPolarHBondContact O-CA 3.42Å; L268-A281 PolarHBondContact N-O 2.68Å; L268-A281 PolarHBondContact O-N 2.89Å; L268-F297 HydrophobicContact CB-CD1 4.43Å; L268-F297 HydrophobicContact CD1-CB 4.44Å; L268-F297 HydrophobicContact CD1-CD1 3.65Å; L268-F297 HydrophobicContact CD1-CD2 3.83Å; L268-F297 HydrophobicContact CD1-CE1 3.73Å; L268-F297 HydrophobicContact CD1-CE2 3.9Å; L268-F297 HydrophobicContact CD1-CG 3.71Å; L268-F297 HydrophobicContact CD1-CZ 3.86Å; L268-F297 HydrophobicContact CG-CD1 3.87Å; L268-F297 HydrophobicContact CG-CE1 3.75Å; L268-F297 HydrophobicContact CG-CG 4.43Å; L268-F297 HydrophobicContact CG-CZ 4.2Å; L268-I374 HydrophobicContact CD1-CD1 3.34Å
269Y98Very high96.3Very high107 Ų10733.2 Ų33.242%0.4217%0.173SC..EExtended strand (participates in β ladder)trans-82.6149.8174.5-72.7-89.8000111.3N251 G252 T253 V267 L279 Y280N251-Y269 HydrophobicContact CB-CD1 3.88Å; N251-Y269 HydrophobicContact CB-CG 4.09Å; G252-Y269 WeakPolarHBondContact CA-O 3.37Å; T253-Y269 PolarHBondContact N-O 2.93Å; V267-Y269 HydrophobicContact CB-CE2 4.22Å; V267-Y269 HydrophobicContact CG1-CD2 4.19Å; V267-Y269 HydrophobicContact CG1-CE2 3.77Å; Y269-L279 CarbonylContact C-O 3.42Å; Y269-L279 WeakPolarHBondContact CA-O 3.16Å; Y269-Y280 HydrophobicContact CE1-CD1 4.28Å; Y269-Y280 HydrophobicContact CE1-CG 4.39Å
270M97.3Very high96.3Very high24 Ų2434.6 Ų34.612%0.11818%0.178CC..EExtended strand (participates in β ladder)trans-149141.7171.659177.138.300111.6N251 T253 F258 S278 L279 I372N251-M270 CarbonylContact O-C 3.56Å; N251-M270 VanDerWaalsContact O-C 3.24Å; N251-M270 WeakPolarHBondContact O-CA 3.45Å; N251-M270 PolarHBondContact O-N 2.91Å; T253-M270 CarbonylContact O-C 3.46Å; T253-M270 WeakPolarHBondContact O-CA 3.17Å; F258-M270 HydrophobicContact CE1-CE 4.14Å; F258-M270 HydrophobicContact CZ-CE 3.56Å; M270-S278 CarbonylContact O-C 3.49Å; M270-S278 WeakPolarHBondContact O-CA 3.45Å; M270-L279 HydrophobicContact CG-CD1 3.8Å; M270-L279 HydrophobicContact CG-CD2 4.27Å; M270-L279 HydrophobicContact CG-CG 3.65Å; M270-L279 PolarHBondContact N-O 2.99Å; M270-L279 PolarHBondContact O-N 2.87Å; M270-L279 HydrophobicContact SD-CD1 3.7Å; M270-L279 HydrophobicContact SD-CG 4.14Å; M270-I372 HydrophobicContact CE-CD1 3.3Å; M270-I372 HydrophobicContact SD-CD1 4.32Å
271F97.7Very high96.4Very high2 Ų234.6 Ų34.61%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-92128.7169.9173.1-114.6000109.6Y215 W233 L239 I250 N251 T253Y215-F271 AromaticContact CE1-CD1 3.99Å; Y215-F271 HydrophobicContact CE1-CD1 3.99Å; Y215-F271 HydrophobicContact CE1-CE1 4.15Å; W233-F271 HydrophobicContact CB-CE1 4.06Å; W233-F271 AromaticContact CD2-CE1 3.74Å; W233-F271 HydrophobicContact CD2-CE1 3.74Å; W233-F271 AromaticContact CD2-CZ 3.85Å; W233-F271 HydrophobicContact CD2-CZ 3.85Å; W233-F271 HydrophobicContact CE3-CE1 4.17Å; W233-F271 AromaticContact CE3-CZ 3.8Å; W233-F271 HydrophobicContact CE3-CZ 3.8Å; W233-F271 AromaticContact CG-CE1 3.69Å; W233-F271 HydrophobicContact CG-CE1 3.69Å; W233-F271 HydrophobicContact CG-CZ 4.25Å; W233-F271 HydrophobicContact CZ3-CZ 4.27Å; L239-F271 HydrophobicContact CD1-CE2 4Å; L239-F271 HydrophobicContact CD2-CE2 3.99Å; L239-F271 HydrophobicContact CD2-CZ 4.15Å; L239-F271 HydrophobicContact CG-CE2 4.47Å; I250-F271 HydrophobicContact CG1-CD2 4.46Å; I250-F271 HydrophobicContact CG2-CB 3.99Å; I250-F271 HydrophobicContact CG2-CD1 4.24Å; I250-F271 HydrophobicContact CG2-CD2 4.31Å; I250-F271 HydrophobicContact CG2-CG 3.91Å; N251-F271 PolarHBondContact O-N 2.85Å; T253-F271 PolarHBondContact O-N 3.45Å
272S96Very high96.5Very high15 Ų1535.3 Ų35.311%0.10518%0.184CC..EExtended strand (participates in β ladder)trans-119.1110.6175.41770000109.4D274 L275 C276 R277S272-D274 PolarHBondContact O-N 3.39Å; S272-L275 CarbonylContact O-C 3.48Å; S272-L275 PolarHBondContact O-N 2.97Å; S272-L275 PolarHBondContact OG-N 2.82Å; S272-C276 PolarHBondContact O-N 2.81Å; S272-R277 PolarHBondContact N-O 2.87Å; S272-R277 VanDerWaalsContact N-O 3.07Å; S272-R277 PolarHBondContact O-N 2.92Å
273S93.3Very high96.6Very high16 Ų1637.8 Ų37.811%0.11219%0.193CC..THydrogen-bonded Turntrans-58.8-36.6172.253.20000111.8D212 L275 C276D212-S273 WeakPolarHBondContact OD2-CB 3.33Å; D212-S273 PolarHBondContact OD2-OG 2.68Å; S273-L275 PolarHBondContact O-N 3.22Å; S273-C276 PolarHBondContact O-N 3.33Å
274D91.7Very high96.7Very high41 Ų4138 Ų3822%0.21919%0.192CC..THydrogen-bonded Turntrans-60.8-40.1176.5-60.8-35.5000113.4S272 K386S272-D274 PolarHBondContact O-N 3.39Å; D274-K386 IonicContact OD2-NZ 3.5Å; D274-K386 PolarHBondContact OD2-NZ 2.97Å
275L95.1Very high96.7Very high6 Ų638 Ų383%0.03120%0.195CC..THydrogen-bonded Turntrans-91.9-3.1178.5-68.3175.2000113.2S272 S273 R277 L279 F304 L329 M342 L388S272-L275 CarbonylContact O-C 3.48Å; S272-L275 PolarHBondContact O-N 2.97Å; S272-L275 PolarHBondContact OG-N 2.82Å; S273-L275 PolarHBondContact O-N 3.22Å; L275-R277 HydrophobicContact CB-CG 4.33Å; L275-R277 PolarHBondContact O-N 3.31Å; L275-R277 VanDerWaalsContact O-N 3.16Å; L275-L279 HydrophobicContact CD1-CD2 3.66Å; L275-F304 HydrophobicContact CD1-CZ 4.14Å; L275-L329 HydrophobicContact CB-CD2 4.38Å; L275-L329 HydrophobicContact CD2-CD2 4.44Å; L275-L329 WeakPolarHBondContact O-CD2 3.4Å; L275-M342 HydrophobicContact CD2-CB 3.75Å; L275-M342 HydrophobicContact CD2-CE 3.68Å; L275-M342 HydrophobicContact CD2-CG 3.83Å; L275-L388 HydrophobicContact CD1-CD1 4.38Å; L275-L388 HydrophobicContact CD1-CD2 4.02Å; L275-L388 HydrophobicContact CD2-CD1 4.09Å; L275-L388 HydrophobicContact CD2-CD2 4.05Å; L275-L388 HydrophobicContact CG-CD1 4.07Å; L275-L388 HydrophobicContact CG-CD2 4.36Å
276C95.3Very high96.8Very high2 Ų234.8 Ų34.81%0.01418%0.178CC..THydrogen-bonded Turntrans58.924.9178.6-52.10000114.1L239 W241 W242 S272 S273 C334L239-C276 WeakPolarHBondContact CD1-O 3.4Å; W241-C276 HydrophobicContact CE3-CB 3.65Å; W241-C276 HydrophobicContact CH2-CB 4.34Å; W241-C276 HydrophobicContact CZ3-CB 3.47Å; W241-C276 VanDerWaalsContact CZ3-CB 3.47Å; W242-C276 VanDerWaalsContact CE2-O 3.28Å; W242-C276 HydrophobicContact CZ2-CB 4.04Å; W242-C276 VanDerWaalsContact CZ2-O 3.26Å; W242-C276 WeakPolarHBondContact CZ2-O 3.39Å; W242-C276 PolarHBondContact NE1-O 3.2Å; S272-C276 PolarHBondContact O-N 2.81Å; S273-C276 PolarHBondContact O-N 3.33Å; C276-C334 HydrophobicContact CB-CB 3.61Å; C276-C334 WeakPolarHBondContact CB-SG 3.38Å; C276-C334 WeakPolarHBondContact SG-CB 3.39Å; C276-C334 CovalentContact SG-SG 2Å; C276-C334 PolarHBondContact SG-SG 2.83Å
277R97.1Very high96.9Very high13 Ų1333.9 Ų33.95%0.04918%0.175CC..EExtended strand (participates in β ladder)trans-157.1166.9-179.865.3173.4-75.8-173.9-3112.4W242 S272 L275 V303 F316 L329W242-R277 HydrophobicContact CZ2-CB 4.21Å; S272-R277 PolarHBondContact N-O 2.87Å; S272-R277 VanDerWaalsContact N-O 3.07Å; S272-R277 PolarHBondContact O-N 2.92Å; L275-R277 HydrophobicContact CB-CG 4.33Å; L275-R277 PolarHBondContact O-N 3.31Å; L275-R277 VanDerWaalsContact O-N 3.16Å; R277-V303 PolarHBondContact NH1-O 2.95Å; R277-F316 HydrophobicContact CB-CD1 4.34Å; R277-F316 HydrophobicContact CB-CE1 3.69Å; R277-F316 HydrophobicContact CB-CZ 4.42Å; R277-F316 HydrophobicContact CG-CE1 4.32Å; R277-F316 VanDerWaalsContact CZ-CD2 3.44Å; R277-F316 VanDerWaalsContact NE-CZ 3.26Å; R277-F316 VanDerWaalsContact NH1-CE2 3.25Å; R277-F316 VanDerWaalsContact NH2-CZ 3.25Å; R277-L329 HydrophobicContact CG-CD2 4.11Å
278S97.9Very high96.9Very high11 Ų1136.1 Ų36.18%0.07719%0.189CC..EExtended strand (participates in β ladder)trans-80.3144.5162.9-55.50000111.2M249 I250 N251 M270M249-S278 WeakPolarHBondContact O-CB 3.45Å; M249-S278 PolarHBondContact O-OG 2.81Å; I250-S278 WeakPolarHBondContact CA-OG 3.42Å; N251-S278 PolarHBondContact N-OG 2.89Å; M270-S278 CarbonylContact O-C 3.49Å; M270-S278 WeakPolarHBondContact O-CA 3.45Å
279L96.8Very high96.9Very high13 Ų1336.3 Ų36.37%0.06819%0.19CC..EExtended strand (participates in β ladder)trans-135.8177171.464.3119.7000110.1Y269 M270 L275 P299 V303Y269-L279 CarbonylContact C-O 3.42Å; Y269-L279 WeakPolarHBondContact CA-O 3.16Å; M270-L279 HydrophobicContact CG-CD1 3.8Å; M270-L279 HydrophobicContact CG-CD2 4.27Å; M270-L279 HydrophobicContact CG-CG 3.65Å; M270-L279 PolarHBondContact N-O 2.99Å; M270-L279 PolarHBondContact O-N 2.87Å; M270-L279 HydrophobicContact SD-CD1 3.7Å; M270-L279 HydrophobicContact SD-CG 4.14Å; L275-L279 HydrophobicContact CD1-CD2 3.66Å; L279-P299 HydrophobicContact CD1-CB 4.36Å; L279-P299 HydrophobicContact CD1-CG 4.07Å; L279-V303 HydrophobicContact CB-CG1 3.89Å
280Y97.6Very high96.7Very high49 Ų4934.4 Ų34.419%0.19218%0.184CC..EExtended strand (participates in β ladder)trans-139.8157.617965.4-89000112.1V267 L268 Y269 V282 P299 P300 V303V267-Y280 HydrophobicContact CG1-CD2 3.58Å; V267-Y280 HydrophobicContact CG1-CG 3.78Å; L268-Y280 CarbonylContact O-C 3.52Å; L268-Y280 VanDerWaalsContact O-CA 3.22Å; L268-Y280 WeakPolarHBondContact O-CA 3.42Å; Y269-Y280 HydrophobicContact CE1-CD1 4.28Å; Y269-Y280 HydrophobicContact CE1-CG 4.39Å; Y280-V282 HydrophobicContact CD2-CG1 4.03Å; Y280-V282 HydrophobicContact CE2-CG1 4.07Å; Y280-P299 WeakPolarHBondContact O-CA 3.31Å; Y280-P300 HydrophobicContact CD2-CG 4.22Å; Y280-P300 HydrophobicContact CE2-CG 3.46Å; Y280-P300 VanDerWaalsContact CE2-CG 3.46Å; Y280-V303 HydrophobicContact CD1-CG2 4.02Å; Y280-V303 HydrophobicContact CD2-CG2 4.38Å; Y280-V303 HydrophobicContact CE1-CG2 3.73Å; Y280-V303 HydrophobicContact CE2-CG2 4.13Å; Y280-V303 HydrophobicContact CG-CG2 4.33Å
281A98Very high96.6Very high0 Ų040.5 Ų40.50%021%0.212CC..EExtended strand (participates in β ladder)trans-125.4146.2174.800000110.5L268 F297 V298L268-A281 PolarHBondContact N-O 2.68Å; L268-A281 PolarHBondContact O-N 2.89Å; A281-F297 HydrophobicContact CB-CB 3.91Å; A281-V298 WeakPolarHBondContact CA-O 3.35Å
282V98.4Very high96.5Very high44 Ų4440.4 Ų40.427%0.26721%0.212SC..EExtended strand (participates in β ladder)trans-118.9149.1-179.7-590000110.5V267 Y280 F297 V298 P300V267-V282 HydrophobicContact CG2-CG1 4.37Å; Y280-V282 HydrophobicContact CD2-CG1 4.03Å; Y280-V282 HydrophobicContact CE2-CG1 4.07Å; V282-F297 VanDerWaalsContact C-CD1 3.46Å; V282-F297 VanDerWaalsContact O-CA 3.31Å; V282-F297 WeakPolarHBondContact O-CA 3.41Å; V282-V298 PolarHBondContact N-O 2.92Å; V282-V298 PolarHBondContact O-N 2.67Å; V282-P300 HydrophobicContact CG1-CG 4.17Å; V282-P300 HydrophobicContact CG2-CB 3.98Å; V282-P300 HydrophobicContact CG2-CG 4.03Å
283Y98.5Very high96.5Very high61 Ų6142.1 Ų42.124%0.23922%0.223CC..EExtended strand (participates in β ladder)trans-61.4141.4175.7168.3-91.4000111K264 N285 D286 Y295 R296K264-Y283 HydrophobicContact CB-CD1 4.05Å; K264-Y283 HydrophobicContact CB-CD2 4.23Å; K264-Y283 HydrophobicContact CB-CE1 4.32Å; K264-Y283 HydrophobicContact CB-CE2 4.47Å; K264-Y283 HydrophobicContact CB-CG 4Å; K264-Y283 HydrophobicContact CD-CD2 4.47Å; K264-Y283 HydrophobicContact CD-CE1 4.02Å; K264-Y283 HydrophobicContact CD-CE2 3.89Å; K264-Y283 HydrophobicContact CG-CD1 4.43Å; K264-Y283 HydrophobicContact CG-CD2 3.97Å; K264-Y283 HydrophobicContact CG-CE1 4.35Å; K264-Y283 HydrophobicContact CG-CE2 3.85Å; K264-Y283 HydrophobicContact CG-CG 4.25Å; K264-Y283 PolarHBondContact NZ-OH 2.72Å; K264-Y283 VanDerWaalsContact NZ-OH 3.1Å; K264-Y283 VanDerWaalsContact O-CB 3.27Å; K264-Y283 WeakPolarHBondContact O-CB 3.39Å; Y283-N285 VanDerWaalsContact CE2-C 3.5Å; Y283-N285 WeakPolarHBondContact CE2-O 3.36Å; Y283-N285 WeakPolarHBondContact OH-CA 3.19Å; Y283-D286 PolarHBondContact OH-N 3.44Å; Y283-D286 PolarHBondContact OH-OD1 2.91Å; Y283-Y295 HydrophobicContact CD2-CD2 4.5Å; Y283-Y295 HydrophobicContact CD2-CG 4.11Å; Y283-Y295 HydrophobicContact CE2-CD1 4.04Å; Y283-Y295 HydrophobicContact CE2-CG 4.07Å; Y283-R296 WeakPolarHBondContact CA-O 3.41Å
284T97.4Very high96.6Very high64 Ų6441.5 Ų41.539%0.39322%0.218SC..EExtended strand (participates in β ladder)trans-122.4-55.4177.552.10000112R296 V298T284-R296 PolarHBondContact N-O 3.22Å; T284-R296 WeakPolarHBondContact OG1-CG 3.26Å; T284-R296 PolarHBondContact OG1-O 3Å; T284-V298 HydrophobicContact CG2-CB 3.93Å; T284-V298 HydrophobicContact CG2-CG2 3.98Å
285N97.7Very high97Very high69 Ų6942 Ų4237%0.36922%0.217SC..EExtended strand (participates in β ladder)trans-155164.1-178.762.3-87000112.6Y283 V287 R296Y283-N285 VanDerWaalsContact CE2-C 3.5Å; Y283-N285 WeakPolarHBondContact CE2-O 3.36Å; Y283-N285 WeakPolarHBondContact OH-CA 3.19Å; N285-V287 VanDerWaalsContact ND2-CG1 3.34Å; N285-V287 WeakPolarHBondContact ND2-CG1 3.26Å; N285-R296 WeakPolarHBondContact O-CB 3.23Å; N285-R296 PolarHBondContact O-N 2.98Å
286D98.2Very high97.1Very high89 Ų8945 Ų4548%0.47623%0.229SC..EExtended strand (participates in β ladder)trans-74.3143.9168.7-67.4-24000109.7K264 Y283 Y295K264-D286 WeakPolarHBondContact CE-OD1 3.29Å; K264-D286 IonicContact NZ-OD1 2.76Å; K264-D286 PolarHBondContact NZ-OD1 3.5Å; K264-D286 IonicContact NZ-OD2 2.72Å; K264-D286 PolarHBondContact NZ-OD2 2.98Å; Y283-D286 PolarHBondContact OH-N 3.44Å; Y283-D286 PolarHBondContact OH-OD1 2.91Å; D286-Y295 VanDerWaalsContact OD1-CD1 3.25Å; D286-Y295 WeakPolarHBondContact OD1-CD1 3.32Å; D286-Y295 VanDerWaalsContact OD1-CE1 3.27Å; D286-Y295 WeakPolarHBondContact OD1-CE1 3.49Å
287V97.8Very high97.3Very high20 Ų2045 Ų4512%0.12123%0.228CC..EExtended strand (participates in β ladder)trans-134.4161.1177.3-66.50000110.2N285 V289 G294 R296 D373N285-V287 VanDerWaalsContact ND2-CG1 3.34Å; N285-V287 WeakPolarHBondContact ND2-CG1 3.26Å; V287-V289 HydrophobicContact CG2-CG2 4.41Å; V287-G294 WeakPolarHBondContact CG2-O 3.41Å; V287-G294 PolarHBondContact N-O 2.87Å; V287-G294 PolarHBondContact O-N 3.34Å; V287-R296 HydrophobicContact CG1-CB 3.9Å; V287-D373 HydrophobicContact CG2-CB 3.95Å
288T97.4Very high97.3Very high109 Ų10944.6 Ų44.667%0.66923%0.227SC*.EExtended strand (participates in β ladder)trans-126117.9171.2-610000108.5I292T288-I292 WeakPolarHBondContact CA-O 3.42Å
289V96.6Very high97.3Very high8 Ų844.6 Ų44.65%0.04823%0.227CC..EExtended strand (participates in β ladder)trans-117116.8-179.5-179.10000107.7V287 E291 I292 D373 L382 Q383 L421 I422V287-V289 HydrophobicContact CG2-CG2 4.41Å; V289-E291 VanDerWaalsContact C-N 3.26Å; V289-E291 PolarHBondContact O-N 3.45Å; V289-I292 PolarHBondContact N-O 3.23Å; V289-I292 VanDerWaalsContact O-CB 3.29Å; V289-I292 WeakPolarHBondContact O-CB 3.48Å; V289-I292 PolarHBondContact O-N 3.27Å; V289-D373 HydrophobicContact CG2-CB 4.2Å; V289-L382 HydrophobicContact CB-CB 4Å; V289-L382 HydrophobicContact CB-CD1 4.3Å; V289-L382 HydrophobicContact CG1-CB 4.08Å; V289-L382 HydrophobicContact CG2-CB 4.27Å; V289-Q383 HydrophobicContact CG1-CB 4.16Å; V289-Q383 HydrophobicContact CG2-CB 4.28Å; V289-L421 HydrophobicContact CG1-CD1 3.6Å; V289-I422 HydrophobicContact CG1-CG2 4.31Å
290K95.7Very high97.3Very high67 Ų6745 Ų4529%0.29123%0.23SC..THydrogen-bonded Turntrans47.348.6-174.5-62-166.7175.3-178.70112.7I292 I422 D424 A427 Q431K290-I292 PolarHBondContact O-N 3.4Å; K290-I292 VanDerWaalsContact O-N 3.13Å; K290-I422 HydrophobicContact CD-CG2 4.18Å; K290-I422 VanDerWaalsContact CE-O 3.26Å; K290-I422 WeakPolarHBondContact CE-O 3.42Å; K290-I422 PolarHBondContact NZ-O 2.78Å; K290-D424 WeakPolarHBondContact CE-OD1 3.26Å; K290-D424 IonicContact NZ-OD1 3.11Å; K290-D424 PolarHBondContact NZ-OD1 3.28Å; K290-A427 HydrophobicContact CB-CB 4.1Å; K290-A427 HydrophobicContact CD-CB 3.91Å; K290-Q431 PolarHBondContact O-NE2 3.35Å
291E93.9Very high97.3Very high152 Ų15245.9 Ų45.971%0.7124%0.235SC*.THydrogen-bonded Turntrans63.411.4-178.4-45.7174145.800115.1V289 Q431V289-E291 VanDerWaalsContact C-N 3.26Å; V289-E291 PolarHBondContact O-N 3.45Å; E291-Q431 PolarHBondContact OE2-NE2 3.42Å
292I95.6Very high97.2Very high0 Ų049.9 Ų49.90%025%0.254CS..EExtended strand (participates in β ladder)trans-100.3127.2176-57.5157.7000108.4T288 V289 K290 L382 I422 A427 L430 Q431T288-I292 WeakPolarHBondContact CA-O 3.42Å; V289-I292 PolarHBondContact N-O 3.23Å; V289-I292 VanDerWaalsContact O-CB 3.29Å; V289-I292 WeakPolarHBondContact O-CB 3.48Å; V289-I292 PolarHBondContact O-N 3.27Å; K290-I292 PolarHBondContact O-N 3.4Å; K290-I292 VanDerWaalsContact O-N 3.13Å; I292-L382 HydrophobicContact CB-CD1 4.22Å; I292-L382 HydrophobicContact CB-CD2 4.41Å; I292-L382 HydrophobicContact CD1-CD2 4.17Å; I292-L382 HydrophobicContact CG2-CD1 3.83Å; I292-L382 HydrophobicContact CG2-CD2 3.96Å; I292-I422 HydrophobicContact CD1-CD1 4.44Å; I292-A427 HydrophobicContact CD1-CB 3.91Å; I292-L430 HydrophobicContact CD1-CB 3.82Å; I292-L430 HydrophobicContact CD1-CD1 4.41Å; I292-L430 HydrophobicContact CG1-CB 4.38Å; I292-Q431 HydrophobicContact CD1-CG 4.35Å; I292-Q431 HydrophobicContact CG1-CG 3.75Å
293P95.6Very high97.1Very high51 Ų5147.8 Ų47.833%0.33124%0.241SC..EExtended strand (participates in β ladder)trans-67.2136.7174.228.2-33.7000110.4N375P293-N375 PolarHBondContact O-ND2 3.17Å; P293-N375 VanDerWaalsContact O-ND2 3.08Å
294G97.1Very high97Very high2 Ų246 Ų462%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-141.7163.4178.600000112.2V287 I374V287-G294 WeakPolarHBondContact CG2-O 3.41Å; V287-G294 PolarHBondContact N-O 2.87Å; V287-G294 PolarHBondContact O-N 3.34Å; G294-I374 CarbonylContact C-O 3.58Å; G294-I374 VanDerWaalsContact CA-O 3.25Å; G294-I374 WeakPolarHBondContact CA-O 3.34Å
295Y98.3Very high96.9Very high51 Ų5143.2 Ų43.220%0.222%0.218CC..EExtended strand (participates in β ladder)trans-108.3129.9171.6-69.9-10.6000109.4I262 K264 Y283 D286 F297 D373 I374 P376I262-Y295 HydrophobicContact CG2-CD2 4.24Å; K264-Y295 HydrophobicContact CD-CE1 4.45Å; K264-Y295 VanDerWaalsContact CE-CZ 3.48Å; K264-Y295 HydrophobicContact CG-CD2 4.12Å; K264-Y295 HydrophobicContact CG-CE1 4.26Å; K264-Y295 HydrophobicContact CG-CE2 3.68Å; Y283-Y295 HydrophobicContact CD2-CD2 4.5Å; Y283-Y295 HydrophobicContact CD2-CG 4.11Å; Y283-Y295 HydrophobicContact CE2-CD1 4.04Å; Y283-Y295 HydrophobicContact CE2-CG 4.07Å; D286-Y295 VanDerWaalsContact OD1-CD1 3.25Å; D286-Y295 WeakPolarHBondContact OD1-CD1 3.32Å; D286-Y295 VanDerWaalsContact OD1-CE1 3.27Å; D286-Y295 WeakPolarHBondContact OD1-CE1 3.49Å; Y295-F297 HydrophobicContact CD2-CE2 4.37Å; Y295-D373 WeakPolarHBondContact O-CA 3.33Å; Y295-I374 PolarHBondContact N-O 2.99Å; Y295-I374 PolarHBondContact O-N 3.24Å; Y295-P376 HydrophobicContact CD1-CB 4.47Å; Y295-P376 HydrophobicContact CD1-CG 4.34Å; Y295-P376 HydrophobicContact CD2-CB 3.62Å; Y295-P376 HydrophobicContact CD2-CG 4.35Å; Y295-P376 HydrophobicContact CE1-CB 4.26Å; Y295-P376 HydrophobicContact CE1-CG 4.06Å; Y295-P376 HydrophobicContact CE2-CB 3.36Å; Y295-P376 HydrophobicContact CE2-CG 4.08Å; Y295-P376 HydrophobicContact CG-CB 4.16Å; Y295-P376 HydrophobicContact CG-CG 4.46Å
296R98.5Very high96.7Very high70 Ų7042 Ų4226%0.26421%0.212SC..EExtended strand (participates in β ladder)trans-87.8118.9174.9-180162.4-72175.1-0.2111Y283 T284 N285 V287 V298 A371 D373Y283-R296 WeakPolarHBondContact CA-O 3.41Å; T284-R296 PolarHBondContact N-O 3.22Å; T284-R296 WeakPolarHBondContact OG1-CG 3.26Å; T284-R296 PolarHBondContact OG1-O 3Å; N285-R296 WeakPolarHBondContact O-CB 3.23Å; N285-R296 PolarHBondContact O-N 2.98Å; V287-R296 HydrophobicContact CG1-CB 3.9Å; R296-V298 HydrophobicContact CG-CG2 4.04Å; R296-A371 HydrophobicContact CG-CB 4.39Å; R296-D373 WeakPolarHBondContact CA-OD1 3.3Å; R296-D373 WeakPolarHBondContact CB-OD1 3.45Å; R296-D373 VanDerWaalsContact CG-OD1 3.27Å; R296-D373 WeakPolarHBondContact CG-OD1 3.47Å; R296-D373 IonicContact CZ-OD1 2.72Å; R296-D373 IonicContact CZ-OD2 3.96Å; R296-D373 IonicContact NE-OD1 2.91Å; R296-D373 PolarHBondContact NE-OD1 2.83Å; R296-D373 IonicContact NE-OD2 2.68Å; R296-D373 IonicContact NH2-OD1 3.85Å; R296-D373 PolarHBondContact NH2-OD1 2.93Å; R296-D373 IonicContact NH2-OD2 2.89Å; R296-D373 PolarHBondContact NH2-OD2 2.87Å
297F98.5Very high96.4Very high1 Ų139.7 Ų39.70%0.00420%0.203CC..EExtended strand (participates in β ladder)trans-106.4137.4172.1-73.8-97.3000110.6I262 L268 A281 V282 Y295 A371 I372 I374I262-F297 HydrophobicContact CG2-CE2 3.69Å; I262-F297 HydrophobicContact CG2-CZ 3.51Å; L268-F297 HydrophobicContact CB-CD1 4.43Å; L268-F297 HydrophobicContact CD1-CB 4.44Å; L268-F297 HydrophobicContact CD1-CD1 3.65Å; L268-F297 HydrophobicContact CD1-CD2 3.83Å; L268-F297 HydrophobicContact CD1-CE1 3.73Å; L268-F297 HydrophobicContact CD1-CE2 3.9Å; L268-F297 HydrophobicContact CD1-CG 3.71Å; L268-F297 HydrophobicContact CD1-CZ 3.86Å; L268-F297 HydrophobicContact CG-CD1 3.87Å; L268-F297 HydrophobicContact CG-CE1 3.75Å; L268-F297 HydrophobicContact CG-CG 4.43Å; L268-F297 HydrophobicContact CG-CZ 4.2Å; A281-F297 HydrophobicContact CB-CB 3.91Å; V282-F297 VanDerWaalsContact C-CD1 3.46Å; V282-F297 VanDerWaalsContact O-CA 3.31Å; V282-F297 WeakPolarHBondContact O-CA 3.41Å; Y295-F297 HydrophobicContact CD2-CE2 4.37Å; F297-A371 WeakPolarHBondContact O-CA 3.45Å; F297-I372 PolarHBondContact N-O 3.34Å; F297-I372 PolarHBondContact O-N 3.21Å; F297-I374 HydrophobicContact CD2-CD1 3.94Å; F297-I374 HydrophobicContact CE2-CD1 4.46Å; F297-I374 HydrophobicContact CG-CD1 4.49Å
298V98.1Very high96.1Very high5 Ų544.8 Ų44.83%0.0323%0.234CC..EExtended strand (participates in β ladder)trans-136.6137.2-176.8169.60000109A281 V282 T284 R296 P300 Q369 A371A281-V298 WeakPolarHBondContact CA-O 3.35Å; V282-V298 PolarHBondContact N-O 2.92Å; V282-V298 PolarHBondContact O-N 2.67Å; T284-V298 HydrophobicContact CG2-CB 3.93Å; T284-V298 HydrophobicContact CG2-CG2 3.98Å; R296-V298 HydrophobicContact CG-CG2 4.04Å; V298-P300 VanDerWaalsContact O-CD 3.3Å; V298-P300 WeakPolarHBondContact O-CD 3.45Å; V298-Q369 HydrophobicContact CG1-CG 3.87Å; V298-Q369 HydrophobicContact CG2-CG 4.25Å; V298-A371 HydrophobicContact CG2-CB 4.12Å
299P97.5Very high95.9Very high12 Ų1243.3 Ų43.38%0.07822%0.224CC..  trans-62.4116.4166.1-20.533.5000110.4L279 Y280 V303 T370L279-P299 HydrophobicContact CD1-CB 4.36Å; L279-P299 HydrophobicContact CD1-CG 4.07Å; Y280-P299 WeakPolarHBondContact O-CA 3.31Å; P299-V303 HydrophobicContact CB-CG2 4.32Å; P299-T370 WeakPolarHBondContact CD-O 3.29Å; P299-T370 HydrophobicContact CG-CG2 3.96Å
300P97.1Very high95.8Very high20 Ų2044.4 Ų44.413%0.1323%0.23CC..  trans-76167.4-177.836.1-39.3000111.2Y280 V282 V298 E302 V303Y280-P300 HydrophobicContact CD2-CG 4.22Å; Y280-P300 HydrophobicContact CE2-CG 3.46Å; Y280-P300 VanDerWaalsContact CE2-CG 3.46Å; V282-P300 HydrophobicContact CG1-CG 4.17Å; V282-P300 HydrophobicContact CG2-CB 3.98Å; V282-P300 HydrophobicContact CG2-CG 4.03Å; V298-P300 VanDerWaalsContact O-CD 3.3Å; V298-P300 WeakPolarHBondContact O-CD 3.45Å; P300-E302 VanDerWaalsContact CB-OE2 3.32Å; P300-E302 WeakPolarHBondContact CB-OE2 3.47Å; P300-E302 PolarHBondContact O-N 2.78Å; P300-E302 VanDerWaalsContact O-N 3.16Å; P300-V303 HydrophobicContact CG-CG2 4.07Å; P300-V303 WeakPolarHBondContact O-CB 3.24Å; P300-V303 WeakPolarHBondContact O-CG2 3.15Å; P300-V303 PolarHBondContact O-N 3.03Å; P300-V303 VanDerWaalsContact O-N 3.11Å
301F96.6Very high95.8Very high68 Ų6845.7 Ų45.730%0.29825%0.245SC..G310 helixtrans-56.8-33.9-175.7166.6-99000112.2V303 F304 A305 V309 Q349F301-V303 PolarHBondContact O-N 3.34Å; F301-V303 VanDerWaalsContact O-N 3.13Å; F301-F304 PolarHBondContact O-N 3.16Å; F301-A305 HydrophobicContact CD1-CB 4Å; F301-A305 HydrophobicContact CE1-CB 3.66Å; F301-A305 HydrophobicContact CZ-CB 4.13Å; F301-A305 PolarHBondContact O-N 3.34Å; F301-V309 HydrophobicContact CE1-CG1 4.22Å; F301-Q349 HydrophobicContact CD2-CB 4.01Å; F301-Q349 HydrophobicContact CD2-CG 4.47Å; F301-Q349 WeakPolarHBondContact CD2-O 3.25Å; F301-Q349 WeakPolarHBondContact CE2-O 3.33Å
302E96.7Very high95.7Very high85 Ų8540.2 Ų40.240%0.39723%0.226SC..G310 helixtrans-59.9-21.4-179.8-65.182.5173.100113.5P300 F304 N310 N313P300-E302 VanDerWaalsContact CB-OE2 3.32Å; P300-E302 WeakPolarHBondContact CB-OE2 3.47Å; P300-E302 PolarHBondContact O-N 2.78Å; P300-E302 VanDerWaalsContact O-N 3.16Å; E302-F304 VanDerWaalsContact C-N 3.31Å; E302-F304 PolarHBondContact O-N 3.07Å; E302-N310 PolarHBondContact O-ND2 3.2Å; E302-N313 PolarHBondContact O-ND2 2.79Å
303V96.1Very high95.7Very high0 Ų040.9 Ų40.90%023%0.229CC..G310 helixtrans-63-38.7177.2172.30000111.6R277 L279 Y280 P299 P300 F301 N313R277-V303 PolarHBondContact NH1-O 2.95Å; L279-V303 HydrophobicContact CB-CG1 3.89Å; Y280-V303 HydrophobicContact CD1-CG2 4.02Å; Y280-V303 HydrophobicContact CD2-CG2 4.38Å; Y280-V303 HydrophobicContact CE1-CG2 3.73Å; Y280-V303 HydrophobicContact CE2-CG2 4.13Å; Y280-V303 HydrophobicContact CG-CG2 4.33Å; P299-V303 HydrophobicContact CB-CG2 4.32Å; P300-V303 HydrophobicContact CG-CG2 4.07Å; P300-V303 WeakPolarHBondContact O-CB 3.24Å; P300-V303 WeakPolarHBondContact O-CG2 3.15Å; P300-V303 PolarHBondContact O-N 3.03Å; P300-V303 VanDerWaalsContact O-N 3.11Å; F301-V303 PolarHBondContact O-N 3.34Å; F301-V303 VanDerWaalsContact O-N 3.13Å; V303-N313 PolarHBondContact O-ND2 3.47Å
304F95.8Very high95.7Very high24 Ų2440.4 Ų40.411%0.10523%0.23CC..THydrogen-bonded Turntrans-115.37.1-179-59.9-68.3000112.8L275 F301 E302 G327 L329L275-F304 HydrophobicContact CD1-CZ 4.14Å; F301-F304 PolarHBondContact O-N 3.16Å; E302-F304 VanDerWaalsContact C-N 3.31Å; E302-F304 PolarHBondContact O-N 3.07Å; F304-G327 PolarHBondContact O-N 2.83Å; F304-L329 HydrophobicContact CD1-CB 4.22Å; F304-L329 HydrophobicContact CE1-CB 4.31Å; F304-L329 HydrophobicContact CE1-CD2 4.29Å
305A95.8Very high95.6Very high4 Ų440.4 Ų40.43%0.03323%0.23CC..  trans-65.8153.9177.800000111.6F301 V309 N313F301-A305 HydrophobicContact CD1-CB 4Å; F301-A305 HydrophobicContact CE1-CB 3.66Å; F301-A305 HydrophobicContact CZ-CB 4.13Å; F301-A305 PolarHBondContact O-N 3.34Å; A305-V309 HydrophobicContact CB-CB 3.92Å; A305-V309 HydrophobicContact CB-CG1 3.85Å; A305-N313 PolarHBondContact O-ND2 3.37Å
306N93.8Very high95.5Very high44 Ų4438.9 Ų38.924%0.23523%0.225CC..  trans-64.5167.917670.331.7000112.4T308 V309 N310 S326N306-T308 PolarHBondContact O-N 3.4Å; N306-T308 WeakPolarHBondContact OD1-CA 3.19Å; N306-T308 WeakPolarHBondContact OD1-CB 3.39Å; N306-T308 PolarHBondContact OD1-N 3.48Å; N306-V309 PolarHBondContact O-N 2.92Å; N306-V309 VanDerWaalsContact O-N 3.14Å; N306-V309 PolarHBondContact OD1-N 3.49Å; N306-N310 PolarHBondContact O-N 2.93Å; N306-S326 PolarHBondContact N-OG 3.21Å; N306-S326 PolarHBondContact ND2-OG 3.42Å
307S91.6Very high95.2Very high41 Ų4136.3 Ų36.329%0.28722%0.217SC..THydrogen-bonded Turntrans-65.8-16.4-178.756.70000114.7N310 P311S307-N310 WeakPolarHBondContact CA-O 3.14Å; S307-P311 VanDerWaalsContact O-CA 3.26Å; S307-P311 WeakPolarHBondContact O-CA 3.37Å
308T91.3Very high94.8Very high126 Ų12638 Ų3877%0.77323%0.227SC*.THydrogen-bonded Turntrans-75.3-36174.8-540000111N306N306-T308 PolarHBondContact O-N 3.4Å; N306-T308 WeakPolarHBondContact OD1-CA 3.19Å; N306-T308 WeakPolarHBondContact OD1-CB 3.39Å; N306-T308 PolarHBondContact OD1-N 3.48Å
309V93.6Very high94.2Very high78 Ų7841.9 Ų41.947%0.47325%0.253SS..THydrogen-bonded Turntrans-83.4-45.61771760000111.2F301 A305 N306F301-V309 HydrophobicContact CE1-CG1 4.22Å; A305-V309 HydrophobicContact CB-CB 3.92Å; A305-V309 HydrophobicContact CB-CG1 3.85Å; N306-V309 PolarHBondContact O-N 2.92Å; N306-V309 VanDerWaalsContact O-N 3.14Å; N306-V309 PolarHBondContact OD1-N 3.49Å
310N95Very high93.6Very high31 Ų3146 Ų4617%0.16628%0.282CS..  trans-128.493.8177.8-177.33.9000110.1E302 N306 S307 A312 N313E302-N310 PolarHBondContact O-ND2 3.2Å; N306-N310 PolarHBondContact O-N 2.93Å; S307-N310 WeakPolarHBondContact CA-O 3.14Å; N310-A312 PolarHBondContact O-N 2.86Å; N310-A312 VanDerWaalsContact O-N 3.1Å; N310-A312 WeakPolarHBondContact OD1-CB 3.27Å; N310-A312 PolarHBondContact OD1-N 2.79Å; N310-N313 PolarHBondContact ND2-ND2 3.08Å; N310-N313 WeakPolarHBondContact O-CB 3.09Å; N310-N313 PolarHBondContact O-N 2.99Å
311P94.5Very high92.8Very high95 Ų9548.2 Ų48.262%0.61731%0.309SS*.G310 helixtrans-55.5-28.5-177.8-28.936.4000114.9S307 N313 A314S307-P311 VanDerWaalsContact O-CA 3.26Å; S307-P311 WeakPolarHBondContact O-CA 3.37Å; P311-N313 PolarHBondContact O-N 2.89Å; P311-A314 VanDerWaalsContact O-CB 3.3Å; P311-A314 WeakPolarHBondContact O-CB 3.25Å; P311-A314 PolarHBondContact O-N 2.83Å; P311-A314 VanDerWaalsContact O-N 3.13Å
312A93.5Very high92.1Very high37 Ų3749.9 Ų49.931%0.30632%0.321SS..G310 helixtrans-61.9-25.3176.400000112.4C247 N310 A314C247-A312 PolarHBondContact SG-O 3.44Å; N310-A312 PolarHBondContact O-N 2.86Å; N310-A312 VanDerWaalsContact O-N 3.1Å; N310-A312 WeakPolarHBondContact OD1-CB 3.27Å; N310-A312 PolarHBondContact OD1-N 2.79Å; A312-A314 PolarHBondContact O-N 2.97Å
313N95.8Very high91.7Very high13 Ų1347.7 Ų47.77%0.0731%0.314CS..G310 helixtrans-75-8.7178.7-73.9-18.4000114E302 V303 A305 N310 P311 G315 F316E302-N313 PolarHBondContact O-ND2 2.79Å; V303-N313 PolarHBondContact O-ND2 3.47Å; A305-N313 PolarHBondContact O-ND2 3.37Å; N310-N313 PolarHBondContact ND2-ND2 3.08Å; N310-N313 WeakPolarHBondContact O-CB 3.09Å; N310-N313 PolarHBondContact O-N 2.99Å; P311-N313 PolarHBondContact O-N 2.89Å; N313-G315 PolarHBondContact O-N 3.16Å; N313-G315 VanDerWaalsContact O-N 3.15Å; N313-F316 HydrophobicContact CB-CD2 4.28Å; N313-F316 PolarHBondContact O-N 2.67Å; N313-F316 VanDerWaalsContact O-N 3.09Å
314A94.7Very high91.2Very high41 Ų4150.5 Ų50.534%0.33933%0.329SS..G310 helixtrans-57-30.7178.100000112.5P311 A312 F316 C317P311-A314 VanDerWaalsContact O-CB 3.3Å; P311-A314 WeakPolarHBondContact O-CB 3.25Å; P311-A314 PolarHBondContact O-N 2.83Å; P311-A314 VanDerWaalsContact O-N 3.13Å; A312-A314 PolarHBondContact O-N 2.97Å; A314-F316 PolarHBondContact O-N 3.41Å; A314-C317 WeakPolarHBondContact O-CB 3.25Å; A314-C317 PolarHBondContact O-N 3.11Å
315G95.1Very high91.1Very high3 Ų349.8 Ų49.83%0.03133%0.328CS..G310 helixtrans-66.7-21.6179.800000114.6T243 C247 N313 C317T243-G315 PolarHBondContact N-O 3.19Å; T243-G315 VanDerWaalsContact OG1-CA 3.26Å; T243-G315 WeakPolarHBondContact OG1-CA 3.35Å; T243-G315 PolarHBondContact OG1-O 2.8Å; C247-G315 WeakPolarHBondContact SG-CA 3.2Å; N313-G315 PolarHBondContact O-N 3.16Å; N313-G315 VanDerWaalsContact O-N 3.15Å; G315-C317 VanDerWaalsContact C-N 3.28Å; G315-C317 PolarHBondContact O-N 3.27Å
316F95.7Very high91.1Very high19 Ų1949.7 Ų49.78%0.08333%0.328CS..G310 helixtrans-82.1-2.8177.2-60.8-67.8000113.8W242 C247 R277 N313 A314 L329W242-F316 AromaticContact CD1-CE1 3.92Å; W242-F316 AromaticContact CD2-CD1 3.53Å; W242-F316 HydrophobicContact CD2-CD1 3.53Å; W242-F316 HydrophobicContact CD2-CE1 4.11Å; W242-F316 AromaticContact CE2-CD1 3.68Å; W242-F316 HydrophobicContact CE3-CB 4.24Å; W242-F316 AromaticContact CE3-CD1 3.87Å; W242-F316 HydrophobicContact CE3-CD1 3.87Å; W242-F316 AromaticContact CG-CD1 3.81Å; W242-F316 HydrophobicContact CG-CD1 3.81Å; W242-F316 HydrophobicContact CG-CE1 4Å; W242-F316 HydrophobicContact CH2-CD1 4.43Å; W242-F316 HydrophobicContact CZ2-CD1 4.14Å; W242-F316 HydrophobicContact CZ3-CB 4.35Å; W242-F316 HydrophobicContact CZ3-CD1 4.3Å; W242-F316 WeakPolarHBondContact CZ3-O 3.27Å; W242-F316 AromaticContact NE1-CE1 3.93Å; C247-F316 HydrophobicContact CB-CD1 3.98Å; C247-F316 HydrophobicContact CB-CD2 4.41Å; C247-F316 HydrophobicContact CB-CE1 3.52Å; C247-F316 HydrophobicContact CB-CE2 3.97Å; C247-F316 HydrophobicContact CB-CG 4.39Å; C247-F316 HydrophobicContact CB-CZ 3.51Å; C247-F316 WeakPolarHBondContact O-CE1 3.47Å; C247-F316 VanDerWaalsContact SG-CD2 3.59Å; C247-F316 WeakPolarHBondContact SG-CE2 3.46Å; C247-F316 WeakPolarHBondContact SG-CZ 3.34Å; R277-F316 HydrophobicContact CB-CD1 4.34Å; R277-F316 HydrophobicContact CB-CE1 3.69Å; R277-F316 HydrophobicContact CB-CZ 4.42Å; R277-F316 HydrophobicContact CG-CE1 4.32Å; R277-F316 VanDerWaalsContact CZ-CD2 3.44Å; R277-F316 VanDerWaalsContact NE-CZ 3.26Å; R277-F316 VanDerWaalsContact NH1-CE2 3.25Å; R277-F316 VanDerWaalsContact NH2-CZ 3.25Å; N313-F316 HydrophobicContact CB-CD2 4.28Å; N313-F316 PolarHBondContact O-N 2.67Å; N313-F316 VanDerWaalsContact O-N 3.09Å; A314-F316 PolarHBondContact O-N 3.41Å; F316-L329 HydrophobicContact CB-CD1 3.98Å; F316-L329 HydrophobicContact CG-CD1 4.38Å
317C92.4Very high91.3Very high16 Ų1647.7 Ų47.711%0.10832%0.317CS..SBendtrans-90.8112.5177.9-53.20000109.6A314 G315 P319 S320 C323A314-C317 WeakPolarHBondContact O-CB 3.25Å; A314-C317 PolarHBondContact O-N 3.11Å; G315-C317 VanDerWaalsContact C-N 3.28Å; G315-C317 PolarHBondContact O-N 3.27Å; C317-P319 CarbonylContact C-O 3.27Å; C317-P319 CarbonylContact O-C 3.57Å; C317-P319 VanDerWaalsContact O-C 3.27Å; C317-S320 WeakPolarHBondContact O-CA 3.27Å; C317-S320 PolarHBondContact O-N 2.82Å; C317-C323 HydrophobicContact CB-CB 3.97Å; C317-C323 WeakPolarHBondContact CB-SG 3.46Å; C317-C323 WeakPolarHBondContact SG-CA 3.42Å; C317-C323 WeakPolarHBondContact SG-CB 3.24Å; C317-C323 CovalentContact SG-SG 2.02Å; C317-C323 PolarHBondContact SG-SG 3.41Å
318V90.3Very high91.5Very high36 Ų3646.4 Ų46.422%0.21831%0.307CS..SBendtrans-121.5122.6-178-171.10000109.8W242 T243 V333W242-V318 HydrophobicContact CE3-CG2 3.87Å; W242-V318 HydrophobicContact CZ3-CG2 4.21Å; T243-V318 HydrophobicContact CG2-CG2 4.15Å; V318-V333 HydrophobicContact CB-CG1 3.86Å; V318-V333 HydrophobicContact CG1-CG1 3.66Å; V318-V333 HydrophobicContact CG2-CG1 4.07Å
319P86.3Confident91.8Very high86 Ų8640.7 Ų40.756%0.55827%0.272SS*.SBendcis-65.6162-6.529.7-35.9000112.7C317 G321 N322C317-P319 CarbonylContact C-O 3.27Å; C317-P319 CarbonylContact O-C 3.57Å; C317-P319 VanDerWaalsContact O-C 3.27Å; P319-G321 PolarHBondContact O-N 3.04Å; P319-N322 HydrophobicContact CG-CB 4.07Å; P319-N322 VanDerWaalsContact O-CB 3.26Å; P319-N322 WeakPolarHBondContact O-CB 3.18Å; P319-N322 PolarHBondContact O-N 3.23Å
320S85.1Confident91.9Very high98 Ų9838.9 Ų38.969%0.68526%0.259SS*.THydrogen-bonded Turntrans-52.5133.6-176.5-173.50000112C317 N322C317-S320 WeakPolarHBondContact O-CA 3.27Å; C317-S320 PolarHBondContact O-N 2.82Å; S320-N322 VanDerWaalsContact C-N 3.28Å; S320-N322 PolarHBondContact O-N 3.04Å
321G78.7Confident92Very high68 Ų6837.4 Ų37.470%0.70125%0.252SS*.THydrogen-bonded Turntrans84.6-13.4-175.600000115P319 C323P319-G321 PolarHBondContact O-N 3.04Å; G321-C323 PolarHBondContact O-N 3.4Å
322N83.6Confident91.9Very high103 Ų10334 Ų3455%0.55123%0.23SC*.  trans-91.568177.4-167.423.1000111.6P319 S320P319-N322 HydrophobicContact CG-CB 4.07Å; P319-N322 VanDerWaalsContact O-CB 3.26Å; P319-N322 WeakPolarHBondContact O-CB 3.18Å; P319-N322 PolarHBondContact O-N 3.23Å; S320-N322 VanDerWaalsContact C-N 3.28Å; S320-N322 PolarHBondContact O-N 3.04Å
323C86.4Confident91.8Very high39 Ų3934.6 Ų34.626%0.26423%0.23SC..  trans-83.9144.6174.6-57.10000110.7C317 G321C317-C323 HydrophobicContact CB-CB 3.97Å; C317-C323 WeakPolarHBondContact CB-SG 3.46Å; C317-C323 WeakPolarHBondContact SG-CA 3.42Å; C317-C323 WeakPolarHBondContact SG-CB 3.24Å; C317-C323 CovalentContact SG-SG 2.02Å; C317-C323 PolarHBondContact SG-SG 3.41Å; G321-C323 PolarHBondContact O-N 3.4Å
324L86.7Confident91.7Very high58 Ų5835.2 Ų35.230%0.30424%0.235SC..  trans-72.2-147.1164.2-64174.6000109.7L328 N330 I341 Y393L324-L328 HydrophobicContact CB-CB 4.34Å; L324-L328 HydrophobicContact CB-CD1 4.26Å; L324-L328 HydrophobicContact CD1-CB 4.21Å; L324-L328 HydrophobicContact CD1-CD1 4.17Å; L324-N330 HydrophobicContact CD1-CB 4.3Å; L324-I341 HydrophobicContact CD1-CD1 3.64Å; L324-I341 HydrophobicContact CD1-CG1 4.05Å; L324-I341 HydrophobicContact CD1-CG2 3.67Å; L324-Y393 HydrophobicContact CD2-CD2 4.21Å; L324-Y393 HydrophobicContact CD2-CE2 4.05Å
325G92.8Very high91.6Very high9 Ų936.6 Ų36.69%0.09323%0.233CC..  trans-97.9-177.2170.700000112.3D351G325-D351 VanDerWaalsContact CA-OD2 3.29Å; G325-D351 WeakPolarHBondContact CA-OD2 3.4Å
326S97.2Very high91.2Very high3 Ų345.6 Ų45.62%0.02128%0.275CS..THydrogen-bonded Turntrans-66.2146.8174.7-44.70000111.1N306 A350 D351N306-S326 PolarHBondContact N-OG 3.21Å; N306-S326 PolarHBondContact ND2-OG 3.42Å; S326-A350 VanDerWaalsContact O-CA 3.24Å; S326-A350 WeakPolarHBondContact O-CA 3.4Å; S326-A350 WeakPolarHBondContact O-CB 3.37Å; S326-D351 WeakPolarHBondContact CB-OD1 3.42Å; S326-D351 PolarHBondContact N-OD2 2.89Å; S326-D351 PolarHBondContact O-N 2.86Å; S326-D351 VanDerWaalsContact O-N 3.07Å; S326-D351 PolarHBondContact OG-OD1 2.92Å; S326-D351 VanDerWaalsContact OG-OD1 3.08Å
327G96.8Very high90.8Very high2 Ų247 Ų472%0.02129%0.294CS..THydrogen-bonded Turntrans83.84.8177.600000115.2F304 S343 Q349F304-G327 PolarHBondContact O-N 2.83Å; G327-S343 WeakPolarHBondContact O-CB 3.34Å; G327-Q349 WeakPolarHBondContact CA-O 3.42Å
328L97.1Very high90.8Very high14 Ų1446.8 Ų46.87%0.07329%0.294CS..EExtended strand (participates in β ladder)trans-120.1150.3179.5-57.1-171.6000111.4L324 I341 M342 F347 F354 V410L324-L328 HydrophobicContact CB-CB 4.34Å; L324-L328 HydrophobicContact CB-CD1 4.26Å; L324-L328 HydrophobicContact CD1-CB 4.21Å; L324-L328 HydrophobicContact CD1-CD1 4.17Å; L328-I341 HydrophobicContact CB-CG2 3.86Å; L328-I341 HydrophobicContact CD1-CG2 4.17Å; L328-I341 HydrophobicContact CD2-CG2 4.32Å; L328-I341 HydrophobicContact CG-CG2 4.36Å; L328-M342 CarbonylContact C-O 3.58Å; L328-M342 WeakPolarHBondContact CA-O 3.46Å; L328-F347 HydrophobicContact CD2-CD1 3.9Å; L328-F347 HydrophobicContact CD2-CE1 4.11Å; L328-F354 HydrophobicContact CD1-CD1 3.85Å; L328-F354 HydrophobicContact CD1-CD2 3.95Å; L328-F354 HydrophobicContact CD1-CE1 3.42Å; L328-F354 VanDerWaalsContact CD1-CE1 3.42Å; L328-F354 HydrophobicContact CD1-CE2 3.52Å; L328-F354 HydrophobicContact CD1-CG 4.09Å; L328-F354 HydrophobicContact CD1-CZ 3.23Å; L328-F354 HydrophobicContact CD2-CD2 4.48Å; L328-F354 HydrophobicContact CG-CD2 4.11Å; L328-F354 HydrophobicContact CG-CE2 3.81Å; L328-F354 HydrophobicContact CG-CZ 4.04Å; L328-V410 HydrophobicContact CD1-CB 4.44Å; L328-V410 HydrophobicContact CD1-CG1 4.24Å; L328-V410 HydrophobicContact CD1-CG2 3.84Å
329L96.8Very high91Very high6 Ų645.7 Ų45.73%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-134.1119.1172.1177.969.3000109.7W242 L275 R277 F304 F316 V331 I341 M342W242-L329 HydrophobicContact CH2-CD1 4.09Å; L275-L329 HydrophobicContact CB-CD2 4.38Å; L275-L329 HydrophobicContact CD2-CD2 4.44Å; L275-L329 WeakPolarHBondContact O-CD2 3.4Å; R277-L329 HydrophobicContact CG-CD2 4.11Å; F304-L329 HydrophobicContact CD1-CB 4.22Å; F304-L329 HydrophobicContact CE1-CB 4.31Å; F304-L329 HydrophobicContact CE1-CD2 4.29Å; F316-L329 HydrophobicContact CB-CD1 3.98Å; F316-L329 HydrophobicContact CG-CD1 4.38Å; L329-V331 HydrophobicContact CD2-CG1 3.76Å; L329-V331 HydrophobicContact CG-CG1 3.8Å; L329-V331 PolarHBondContact O-N 3.42Å; L329-I341 CarbonylContact O-C 3.59Å; L329-I341 WeakPolarHBondContact O-CA 3.25Å; L329-M342 HydrophobicContact CB-CB 4.32Å; L329-M342 PolarHBondContact N-O 2.79Å; L329-M342 PolarHBondContact O-N 2.8Å
330N96.2Very high91.5Very high39 Ų3942.4 Ų42.421%0.20927%0.265CS..EExtended strand (participates in β ladder)trans-77.6118.6172.2-176.55.6000109.6W242 L324 S332 I340 I341W242-N330 WeakPolarHBondContact CH2-O 3.07Å; L324-N330 HydrophobicContact CD1-CB 4.3Å; N330-S332 WeakPolarHBondContact OD1-CB 3.31Å; N330-S332 PolarHBondContact OD1-N 3.31Å; N330-S332 VanDerWaalsContact OD1-N 3.07Å; N330-S332 PolarHBondContact OD1-OG 3.44Å; N330-I340 PolarHBondContact OD1-O 2.86Å; N330-I341 HydrophobicContact CB-CD1 3.77Å
331V95.9Very high92.1Very high0 Ų037.8 Ų37.80%023%0.233CC..  trans-113.116.6-178.4-62.20000112.3L329 V333 C334 K335 I340 M342L329-V331 HydrophobicContact CD2-CG1 3.76Å; L329-V331 HydrophobicContact CG-CG1 3.8Å; L329-V331 PolarHBondContact O-N 3.42Å; V331-V333 PolarHBondContact O-N 3.2Å; V331-V333 VanDerWaalsContact O-N 3.12Å; V331-C334 PolarHBondContact O-N 3.34Å; V331-C334 VanDerWaalsContact O-N 3.11Å; V331-C334 PolarHBondContact O-SG 2.76Å; V331-K335 HydrophobicContact CG2-CG 4.03Å; V331-K335 WeakPolarHBondContact O-CG 3.49Å; V331-K335 PolarHBondContact O-N 3.24Å; V331-I340 HydrophobicContact CG2-CB 3.96Å; V331-I340 HydrophobicContact CG2-CG2 3.72Å; V331-I340 WeakPolarHBondContact CG2-O 3.34Å; V331-I340 PolarHBondContact N-O 2.74Å; V331-M342 HydrophobicContact CB-CG 4.31Å; V331-M342 HydrophobicContact CG1-CB 4.46Å; V331-M342 HydrophobicContact CG1-CG 3.67Å; V331-M342 HydrophobicContact CG2-CG 3.64Å; V331-M342 HydrophobicContact CG2-SD 4.3Å
332S93.3Very high93Very high25 Ų2535.1 Ų35.118%0.17520%0.202CC..G310 helixtrans-53.8-36-18065.30000113.1N330 C334 K335 G337 A338N330-S332 WeakPolarHBondContact OD1-CB 3.31Å; N330-S332 PolarHBondContact OD1-N 3.31Å; N330-S332 VanDerWaalsContact OD1-N 3.07Å; N330-S332 PolarHBondContact OD1-OG 3.44Å; S332-C334 VanDerWaalsContact C-N 3.27Å; S332-C334 PolarHBondContact O-N 2.99Å; S332-K335 CarbonylContact O-C 3.57Å; S332-K335 PolarHBondContact O-N 2.9Å; S332-K335 VanDerWaalsContact O-N 3.09Å; S332-G337 WeakPolarHBondContact O-CA 3.5Å; S332-G337 PolarHBondContact O-N 3.43Å; S332-A338 WeakPolarHBondContact CA-O 3.45Å; S332-A338 WeakPolarHBondContact CB-O 3.37Å
333V92.1Very high93.7Very high48 Ų4830.4 Ų30.429%0.29118%0.177SC..G310 helixtrans-57.5-33.1179.6-67.20000114.2W241 W242 V318 V331W241-V333 HydrophobicContact CB-CB 4.29Å; W241-V333 HydrophobicContact CB-CG2 3.86Å; W241-V333 HydrophobicContact CG-CG2 4.43Å; W242-V333 HydrophobicContact CE3-CG2 4.39Å; W242-V333 HydrophobicContact CH2-CG2 4Å; W242-V333 HydrophobicContact CZ3-CG2 3.89Å; V318-V333 HydrophobicContact CB-CG1 3.86Å; V318-V333 HydrophobicContact CG1-CG1 3.66Å; V318-V333 HydrophobicContact CG2-CG1 4.07Å; V331-V333 PolarHBondContact O-N 3.2Å; V331-V333 VanDerWaalsContact O-N 3.12Å
334C92.5Very high94.3Very high27 Ų2729 Ų2918%0.18217%0.167CC..G310 helixtrans-105.41.317966.40000112.9W241 C276 V331 S332W241-C334 HydrophobicContact CD2-CB 3.86Å; W241-C334 HydrophobicContact CE3-CB 4Å; W241-C334 HydrophobicContact CG-CB 4.48Å; W241-C334 HydrophobicContact CH2-CB 4Å; W241-C334 HydrophobicContact CZ2-CB 3.9Å; W241-C334 HydrophobicContact CZ3-CB 4.08Å; C276-C334 HydrophobicContact CB-CB 3.61Å; C276-C334 WeakPolarHBondContact CB-SG 3.38Å; C276-C334 WeakPolarHBondContact SG-CB 3.39Å; C276-C334 CovalentContact SG-SG 2Å; C276-C334 PolarHBondContact SG-SG 2.83Å; V331-C334 PolarHBondContact O-N 3.34Å; V331-C334 VanDerWaalsContact O-N 3.11Å; V331-C334 PolarHBondContact O-SG 2.76Å; S332-C334 VanDerWaalsContact C-N 3.27Å; S332-C334 PolarHBondContact O-N 2.99Å
335K91.9Very high94.8Very high70 Ų7026.2 Ų26.230%0.30415%0.153SC..THydrogen-bonded Turntrans-117.541.8179.1-58.2-59.2176.7-1720111.4V331 S332 G337 A338 I340V331-K335 HydrophobicContact CG2-CG 4.03Å; V331-K335 WeakPolarHBondContact O-CG 3.49Å; V331-K335 PolarHBondContact O-N 3.24Å; S332-K335 CarbonylContact O-C 3.57Å; S332-K335 PolarHBondContact O-N 2.9Å; S332-K335 VanDerWaalsContact O-N 3.09Å; K335-G337 PolarHBondContact O-N 2.81Å; K335-G337 VanDerWaalsContact O-N 3.08Å; K335-A338 VanDerWaalsContact O-CB 3.29Å; K335-A338 WeakPolarHBondContact O-CB 3.41Å; K335-A338 PolarHBondContact O-N 2.8Å; K335-I340 HydrophobicContact CB-CG1 4.45Å
336Q86.6Confident95.1Very high192 Ų19226.1 Ų26.190%0.89715%0.15SC*.THydrogen-bonded Turntrans54.930.6174.9-59.4171.6-18.400113.8A338Q336-A338 VanDerWaalsContact C-N 3.3Å; Q336-A338 PolarHBondContact O-N 2.86Å
337G87.4Confident95.2Very high47 Ų4726 Ų2649%0.48515%0.149SC..THydrogen-bonded Turntrans81.30-179.200000115.2S332 K335S332-G337 WeakPolarHBondContact O-CA 3.5Å; S332-G337 PolarHBondContact O-N 3.43Å; K335-G337 PolarHBondContact O-N 2.81Å; K335-G337 VanDerWaalsContact O-N 3.08Å
338A92.2Very high95.3Very high13 Ų1327.5 Ų27.511%0.10715%0.154CC..  trans-60.3138.5173.400000110.5T143 S332 K335 Q336 I340T143-A338 HydrophobicContact CG2-CB 4.06Å; S332-A338 WeakPolarHBondContact CA-O 3.45Å; S332-A338 WeakPolarHBondContact CB-O 3.37Å; K335-A338 VanDerWaalsContact O-CB 3.29Å; K335-A338 WeakPolarHBondContact O-CB 3.41Å; K335-A338 PolarHBondContact O-N 2.8Å; Q336-A338 VanDerWaalsContact C-N 3.3Å; Q336-A338 PolarHBondContact O-N 2.86Å; A338-I340 HydrophobicContact CB-CD1 4.46Å; A338-I340 HydrophobicContact CB-CG1 3.88Å; A338-I340 PolarHBondContact O-N 2.69Å
339P94.8Very high95.3Very high12 Ų1229.2 Ų29.28%0.07816%0.162CC..  trans-76.652.9-174.231.2-35.6000112.8M142 E146 V392 Y393M142-P339 HydrophobicContact CB-CG 4.36Å; E146-P339 HydrophobicContact CG-CB 4.4Å; E146-P339 HydrophobicContact CG-CG 4.22Å; P339-V392 HydrophobicContact CG-CG1 4.21Å; P339-V392 WeakPolarHBondContact O-CA 3.19Å; P339-Y393 PolarHBondContact O-N 2.85Å
340I97.3Very high95.3Very high17 Ų1729.8 Ų29.89%0.08717%0.168CC..EExtended strand (participates in β ladder)trans-86.9125.9-176.1-55.6-59000110.7I139 N330 V331 K335 A338 M342 I390 N391 V392I139-I340 HydrophobicContact CG2-CD1 4.17Å; N330-I340 PolarHBondContact OD1-O 2.86Å; V331-I340 HydrophobicContact CG2-CB 3.96Å; V331-I340 HydrophobicContact CG2-CG2 3.72Å; V331-I340 WeakPolarHBondContact CG2-O 3.34Å; V331-I340 PolarHBondContact N-O 2.74Å; K335-I340 HydrophobicContact CB-CG1 4.45Å; A338-I340 HydrophobicContact CB-CD1 4.46Å; A338-I340 HydrophobicContact CB-CG1 3.88Å; A338-I340 PolarHBondContact O-N 2.69Å; I340-M342 HydrophobicContact CG2-SD 4.29Å; I340-I390 HydrophobicContact CG2-CG2 3.92Å; I340-N391 WeakPolarHBondContact CA-O 3.49Å; I340-V392 HydrophobicContact CD1-CG2 4.14Å
341I97.8Very high95.4Very high2 Ų230.2 Ų30.21%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-117.4123.4177.3-47.9-54.2000109.2L324 L328 L329 N330 N391 V410L324-I341 HydrophobicContact CD1-CD1 3.64Å; L324-I341 HydrophobicContact CD1-CG1 4.05Å; L324-I341 HydrophobicContact CD1-CG2 3.67Å; L328-I341 HydrophobicContact CB-CG2 3.86Å; L328-I341 HydrophobicContact CD1-CG2 4.17Å; L328-I341 HydrophobicContact CD2-CG2 4.32Å; L328-I341 HydrophobicContact CG-CG2 4.36Å; L329-I341 CarbonylContact O-C 3.59Å; L329-I341 WeakPolarHBondContact O-CA 3.25Å; N330-I341 HydrophobicContact CB-CD1 3.77Å; I341-N391 HydrophobicContact CB-CB 4.26Å; I341-N391 PolarHBondContact N-O 3.06Å; I341-N391 WeakPolarHBondContact O-CA 3.45Å; I341-N391 VanDerWaalsContact O-CB 3.29Å; I341-N391 WeakPolarHBondContact O-CB 3.37Å; I341-N391 PolarHBondContact O-N 2.78Å; I341-N391 PolarHBondContact O-ND2 3.4Å; I341-V410 HydrophobicContact CB-CG1 4.18Å; I341-V410 HydrophobicContact CG1-CG1 4.48Å; I341-V410 HydrophobicContact CG2-CG1 4.19Å
342M97.9Very high95.5Very high12 Ų1236.8 Ų36.86%0.05920%0.2CC..EExtended strand (participates in β ladder)trans-88.5142.3176.2-58.2-62.2-79.800110.5L275 L328 L329 V331 I340 L388 Q389 I390L275-M342 HydrophobicContact CD2-CB 3.75Å; L275-M342 HydrophobicContact CD2-CE 3.68Å; L275-M342 HydrophobicContact CD2-CG 3.83Å; L328-M342 CarbonylContact C-O 3.58Å; L328-M342 WeakPolarHBondContact CA-O 3.46Å; L329-M342 HydrophobicContact CB-CB 4.32Å; L329-M342 PolarHBondContact N-O 2.79Å; L329-M342 PolarHBondContact O-N 2.8Å; V331-M342 HydrophobicContact CB-CG 4.31Å; V331-M342 HydrophobicContact CG1-CB 4.46Å; V331-M342 HydrophobicContact CG1-CG 3.67Å; V331-M342 HydrophobicContact CG2-CG 3.64Å; V331-M342 HydrophobicContact CG2-SD 4.3Å; I340-M342 HydrophobicContact CG2-SD 4.29Å; M342-L388 HydrophobicContact CE-CB 4.17Å; M342-L388 HydrophobicContact CE-CD1 4.11Å; M342-Q389 WeakPolarHBondContact CA-O 3.5Å; M342-I390 HydrophobicContact CE-CG1 4.46Å; M342-I390 HydrophobicContact SD-CG1 4.15Å
343S98.3Very high95.7Very high3 Ų340.6 Ų40.62%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-147.3178.4170.872.20000110.9G327 Q389 N391G327-S343 WeakPolarHBondContact O-CB 3.34Å; S343-Q389 PolarHBondContact N-O 2.98Å; S343-Q389 PolarHBondContact O-N 3.19Å; S343-Q389 WeakPolarHBondContact OG-CB 3.32Å; S343-Q389 PolarHBondContact OG-NE2 3.18Å; S343-N391 PolarHBondContact OG-ND2 3.17Å
344S98.3Very high96Very high9 Ų939 Ų396%0.06320%0.203CC..SBendtrans-77.4159.6161.1-58.30000110.5F347 Y348S344-F347 WeakPolarHBondContact O-CA 3.39Å; S344-F347 PolarHBondContact O-N 2.96Å; S344-F347 VanDerWaalsContact O-N 3.08Å; S344-Y348 VanDerWaalsContact CB-O 3.32Å; S344-Y348 WeakPolarHBondContact CB-O 3.34Å
345P98.8Very high96.2Very high0 Ų039 Ų390%020%0.203CC..G310 helixtrans-55.5139.5179.1-21.829.4000114.2F347 Y348 H368 R387 Y415P345-F347 PolarHBondContact O-N 3.28Å; P345-F347 VanDerWaalsContact O-N 3.14Å; P345-Y348 WeakPolarHBondContact O-CB 3.49Å; P345-Y348 PolarHBondContact O-N 3.41Å; P345-H368 HydrophobicContact CB-CB 3.79Å; P345-H368 WeakPolarHBondContact CD-O 3.44Å; P345-H368 HydrophobicContact CG-CB 4.13Å; P345-H368 WeakPolarHBondContact O-CB 3.24Å; P345-H368 PolarHBondContact O-ND1 2Å; P345-R387 HydrophobicContact CG-CB 3.79Å; P345-Y415 HydrophobicContact CB-CD1 4.02Å; P345-Y415 HydrophobicContact CB-CD2 3.73Å; P345-Y415 HydrophobicContact CB-CE1 4.44Å; P345-Y415 HydrophobicContact CB-CE2 4.22Å; P345-Y415 HydrophobicContact CB-CG 3.63Å; P345-Y415 HydrophobicContact CG-CD2 3.63Å; P345-Y415 HydrophobicContact CG-CE2 4.31Å; P345-Y415 HydrophobicContact CG-CG 3.9Å
346H98.8Very high96.5Very high7 Ų740.4 Ų40.43%0.03221%0.21CC..G310 helixtrans48.931.5-172.4-59.2-112.5000113.6F69 E87 Y348 M361 R362 P363 H368 Y415F69-H346 AromaticContact CE1-CE1 3.61Å; F69-H346 AromaticContact CE1-NE2 3.82Å; F69-H346 AromaticContact CZ-CE1 3.98Å; F69-H346 AromaticContact CZ-NE2 3.79Å; E87-H346 IonicContact OE2-CE1 2.72Å; E87-H346 PolarHBondContact OE2-CE1 3.49Å; E87-H346 IonicContact OE2-NE2 3.59Å; E87-H346 PolarHBondContact OE2-NE2 3.39Å; H346-Y348 PolarHBondContact O-N 3.31Å; H346-M361 HydrophobicContact CB-SD 4.33Å; H346-R362 PolarHBondContact ND1-N 2.78Å; H346-P363 HydrophobicContact CB-CB 4.47Å; H346-H368 AromaticContact CD2-CE1 3.08Å; H346-H368 PolarHBondContact CD2-CE1 3.25Å; H346-H368 AromaticContact CD2-ND1 3.69Å; H346-H368 AromaticContact CD2-NE2 3.36Å; H346-H368 PolarHBondContact CD2-NE2 3.12Å; H346-H368 AromaticContact CG-CE1 3.46Å; H346-H368 VanDerWaalsContact CG-CE1 3.46Å; H346-H368 AromaticContact CG-ND1 3.96Å; H346-H368 AromaticContact NE2-CE1 3.76Å; H346-H368 AromaticContact NE2-NE2 3.75Å; H346-Y415 AromaticContact NE2-CE1 3.65Å
347F98.7Very high97Very high2 Ų234.1 Ų34.11%0.00918%0.182CC..G310 helixtrans57.233-176.1-52.4-69.8000113.3L328 S344 P345 Q349 A350 F354 V355 M361 N391 V410 P412L328-F347 HydrophobicContact CD2-CD1 3.9Å; L328-F347 HydrophobicContact CD2-CE1 4.11Å; S344-F347 WeakPolarHBondContact O-CA 3.39Å; S344-F347 PolarHBondContact O-N 2.96Å; S344-F347 VanDerWaalsContact O-N 3.08Å; P345-F347 PolarHBondContact O-N 3.28Å; P345-F347 VanDerWaalsContact O-N 3.14Å; F347-Q349 PolarHBondContact O-N 3.16Å; F347-A350 HydrophobicContact CB-CB 3.87Å; F347-A350 VanDerWaalsContact O-CB 3.27Å; F347-A350 WeakPolarHBondContact O-CB 3.33Å; F347-A350 PolarHBondContact O-N 3.44Å; F347-F354 HydrophobicContact CB-CB 4.25Å; F347-F354 HydrophobicContact CD1-CB 4.09Å; F347-F354 HydrophobicContact CD2-CB 4.26Å; F347-F354 WeakPolarHBondContact CD2-O 3.37Å; F347-F354 HydrophobicContact CG-CB 3.95Å; F347-V355 HydrophobicContact CB-CG2 3.93Å; F347-M361 HydrophobicContact CD2-CB 4.4Å; F347-M361 HydrophobicContact CD2-CG 3.74Å; F347-M361 HydrophobicContact CD2-SD 3.71Å; F347-M361 HydrophobicContact CE2-CG 3.79Å; F347-M361 HydrophobicContact CE2-SD 3.61Å; F347-N391 VanDerWaalsContact CE1-OD1 3.29Å; F347-N391 WeakPolarHBondContact CE1-OD1 3.44Å; F347-N391 WeakPolarHBondContact CZ-OD1 3.4Å; F347-V410 HydrophobicContact CE1-CG1 3.93Å; F347-V410 HydrophobicContact CZ-CG1 4.23Å; F347-V410 WeakPolarHBondContact CZ-O 3.38Å; F347-P412 HydrophobicContact CE2-CB 4.3Å; F347-P412 HydrophobicContact CE2-CG 4.34Å; F347-P412 HydrophobicContact CZ-CB 4.13Å; F347-P412 HydrophobicContact CZ-CG 4.47Å
348Y98.5Very high97.6Very high33 Ų3332 Ų3213%0.12916%0.16CC..THydrogen-bonded Turntrans-53.6136.8169.4173.9-108.2000110.2S344 P345 H346 A350 P363 K365 H368 Q369S344-Y348 VanDerWaalsContact CB-O 3.32Å; S344-Y348 WeakPolarHBondContact CB-O 3.34Å; P345-Y348 WeakPolarHBondContact O-CB 3.49Å; P345-Y348 PolarHBondContact O-N 3.41Å; H346-Y348 PolarHBondContact O-N 3.31Å; Y348-A350 PolarHBondContact O-N 3.31Å; Y348-P363 HydrophobicContact CD2-CB 4.47Å; Y348-K365 HydrophobicContact CE2-CB 3.88Å; Y348-K365 HydrophobicContact CE2-CG 4.33Å; Y348-K365 WeakPolarHBondContact OH-CG 3.41Å; Y348-H368 HydrophobicContact CG-CB 4.17Å; Y348-Q369 HydrophobicContact CE1-CB 3.89Å; Y348-Q369 HydrophobicContact CE1-CG 4.41Å
349Q97.2Very high97.9Very high50 Ų5036.5 Ų36.523%0.23418%0.178CC..THydrogen-bonded Turntrans60.717.7-174-73.1173.5-32.500115.3F301 G327 F347F301-Q349 HydrophobicContact CD2-CB 4.01Å; F301-Q349 HydrophobicContact CD2-CG 4.47Å; F301-Q349 WeakPolarHBondContact CD2-O 3.25Å; F301-Q349 WeakPolarHBondContact CE2-O 3.33Å; G327-Q349 WeakPolarHBondContact CA-O 3.42Å; F347-Q349 PolarHBondContact O-N 3.16Å
350A97.9Very high98Very high18 Ų1837.6 Ų37.615%0.14919%0.191CC..SBendtrans-102.1166.7171.900000112.7S326 F347 Y348 E352 F354S326-A350 VanDerWaalsContact O-CA 3.24Å; S326-A350 WeakPolarHBondContact O-CA 3.4Å; S326-A350 WeakPolarHBondContact O-CB 3.37Å; F347-A350 HydrophobicContact CB-CB 3.87Å; F347-A350 VanDerWaalsContact O-CB 3.27Å; F347-A350 WeakPolarHBondContact O-CB 3.33Å; F347-A350 PolarHBondContact O-N 3.44Å; Y348-A350 PolarHBondContact O-N 3.31Å; A350-E352 PolarHBondContact O-N 2.82Å; A350-F354 HydrophobicContact CB-CD2 4.02Å
351D97.6Very high98.1Very high48 Ų4837.5 Ų37.526%0.25719%0.19SC..  trans-56.6137.9172.5-65.2-28000110.5G325 S326 K353 F354G325-D351 VanDerWaalsContact CA-OD2 3.29Å; G325-D351 WeakPolarHBondContact CA-OD2 3.4Å; S326-D351 WeakPolarHBondContact CB-OD1 3.42Å; S326-D351 PolarHBondContact N-OD2 2.89Å; S326-D351 PolarHBondContact O-N 2.86Å; S326-D351 VanDerWaalsContact O-N 3.07Å; S326-D351 PolarHBondContact OG-OD1 2.92Å; S326-D351 VanDerWaalsContact OG-OD1 3.08Å; D351-K353 HydrophobicContact CB-CG 4.16Å; D351-K353 PolarHBondContact O-N 2.84Å; D351-F354 HydrophobicContact CB-CD2 3.92Å; D351-F354 HydrophobicContact CB-CE2 3.88Å; D351-F354 WeakPolarHBondContact O-CD2 2.98Å; D351-F354 PolarHBondContact O-N 2.89Å
352E97.4Very high98.1Very high137 Ų13746.8 Ų46.864%0.6423%0.225SC*.Hα-helixtrans-57.9-28.7-171.9-163-178.5166.500113.4A350 F354 V355 Q356A350-E352 PolarHBondContact O-N 2.82Å; E352-F354 PolarHBondContact O-N 2.82Å; E352-V355 WeakPolarHBondContact O-CB 2.98Å; E352-V355 PolarHBondContact O-N 3.21Å; E352-Q356 HydrophobicContact CG-CG 4.22Å; E352-Q356 WeakPolarHBondContact O-CG 3.2Å; E352-Q356 PolarHBondContact O-N 3.08Å; E352-Q356 PolarHBondContact OE1-NE2 2.8Å
353K97.2Very high98.1Very high106 Ų10648.9 Ų48.946%0.46124%0.24SC..Hα-helixtrans-53.1-40.3175.970.2-179.7-175.5176.80112.6D351 V355 Q356 D357D351-K353 HydrophobicContact CB-CG 4.16Å; D351-K353 PolarHBondContact O-N 2.84Å; K353-V355 VanDerWaalsContact C-N 3.28Å; K353-V355 PolarHBondContact O-N 3.44Å; K353-Q356 CarbonylContact O-C 3.54Å; K353-Q356 PolarHBondContact O-N 3.27Å; K353-Q356 VanDerWaalsContact O-N 3.09Å; K353-D357 WeakPolarHBondContact O-CB 3.02Å; K353-D357 PolarHBondContact O-N 2.78Å
354F98Very high98.1Very high14 Ų1451.9 Ų51.96%0.06126%0.255CS..Hα-helixtrans-68.2-31.7-178.2-59.3-58.7000112L328 F347 A350 D351 E352 V410L328-F354 HydrophobicContact CD1-CD1 3.85Å; L328-F354 HydrophobicContact CD1-CD2 3.95Å; L328-F354 HydrophobicContact CD1-CE1 3.42Å; L328-F354 VanDerWaalsContact CD1-CE1 3.42Å; L328-F354 HydrophobicContact CD1-CE2 3.52Å; L328-F354 HydrophobicContact CD1-CG 4.09Å; L328-F354 HydrophobicContact CD1-CZ 3.23Å; L328-F354 HydrophobicContact CD2-CD2 4.48Å; L328-F354 HydrophobicContact CG-CD2 4.11Å; L328-F354 HydrophobicContact CG-CE2 3.81Å; L328-F354 HydrophobicContact CG-CZ 4.04Å; F347-F354 HydrophobicContact CB-CB 4.25Å; F347-F354 HydrophobicContact CD1-CB 4.09Å; F347-F354 HydrophobicContact CD2-CB 4.26Å; F347-F354 WeakPolarHBondContact CD2-O 3.37Å; F347-F354 HydrophobicContact CG-CB 3.95Å; A350-F354 HydrophobicContact CB-CD2 4.02Å; D351-F354 HydrophobicContact CB-CD2 3.92Å; D351-F354 HydrophobicContact CB-CE2 3.88Å; D351-F354 WeakPolarHBondContact O-CD2 2.98Å; D351-F354 PolarHBondContact O-N 2.89Å; E352-F354 PolarHBondContact O-N 2.82Å; F354-V410 HydrophobicContact CD1-CB 4.38Å; F354-V410 HydrophobicContact CD1-CG2 4.15Å; F354-V410 HydrophobicContact CE1-CG2 3.99Å
355V98.3Very high98Very high28 Ų2857 Ų5717%0.1728%0.276CS..Hα-helixtrans-71-39.8172.6-177.20000110.4F347 E352 K353 M361 P363F347-V355 HydrophobicContact CB-CG2 3.93Å; E352-V355 WeakPolarHBondContact O-CB 2.98Å; E352-V355 PolarHBondContact O-N 3.21Å; K353-V355 VanDerWaalsContact C-N 3.28Å; K353-V355 PolarHBondContact O-N 3.44Å; V355-M361 HydrophobicContact CB-CB 4.47Å; V355-M361 HydrophobicContact CG1-CB 3.88Å; V355-P363 HydrophobicContact CG1-CG 4.19Å; V355-P363 HydrophobicContact CG2-CG 3.98Å
356Q98.1Very high97.9Very high99 Ų9963.1 Ų63.146%0.46331%0.309SS..Hα-helixtrans-78.4-25.1-176.4-67.3178.92.600114R82 E352 K353 V358R82-Q356 PolarHBondContact NH1-O 2.9Å; E352-Q356 HydrophobicContact CG-CG 4.22Å; E352-Q356 WeakPolarHBondContact O-CG 3.2Å; E352-Q356 PolarHBondContact O-N 3.08Å; E352-Q356 PolarHBondContact OE1-NE2 2.8Å; K353-Q356 CarbonylContact O-C 3.54Å; K353-Q356 PolarHBondContact O-N 3.27Å; K353-Q356 VanDerWaalsContact O-N 3.09Å; Q356-V358 VanDerWaalsContact C-N 3.25Å; Q356-V358 PolarHBondContact O-N 3.31Å
357D97.8Very high97.8Very high59 Ų5969.6 Ų69.632%0.31634%0.337SS..SBendtrans-71-21-178.5-74.5-23.1000112.9K353 V409K353-D357 WeakPolarHBondContact O-CB 3.02Å; K353-D357 PolarHBondContact O-N 2.78Å; D357-V409 HydrophobicContact CB-CG2 4.08Å
358V98.5Very high97.8Very high2 Ų269.8 Ų69.81%0.01234%0.338CS..SBendtrans-127.5117.3-178.4-179.80000110.9P83 V85 Q356 G360 M361 V409 P412P83-V358 HydrophobicContact CB-CG1 4.31Å; P83-V358 HydrophobicContact CB-CG2 4.45Å; P83-V358 HydrophobicContact CG-CG2 4.46Å; V85-V358 HydrophobicContact CG1-CG1 4.23Å; V85-V358 HydrophobicContact CG2-CG1 3.85Å; Q356-V358 VanDerWaalsContact C-N 3.25Å; Q356-V358 PolarHBondContact O-N 3.31Å; V358-G360 PolarHBondContact O-N 3.29Å; V358-M361 HydrophobicContact CB-CG 3.97Å; V358-M361 HydrophobicContact CG1-CE 4.37Å; V358-M361 HydrophobicContact CG1-CG 4.18Å; V358-M361 PolarHBondContact O-N 2.87Å; V358-V409 HydrophobicContact CG2-CG2 3.71Å; V358-P412 HydrophobicContact CG1-CG 3.94Å
359F98.6Very high97.7Very high109 Ų10969.3 Ų69.348%0.47834%0.337SS..BIsolated β-bridgetrans-66129.2172.8-67.3-80.1000110.4R82 P83 A84 V85R82-F359 HydrophobicContact CB-CD2 4.01Å; R82-F359 HydrophobicContact CB-CE2 3.94Å; P83-F359 PolarHBondContact O-N 3.11Å; A84-F359 WeakPolarHBondContact CA-O 3.4Å; A84-F359 HydrophobicContact CB-CB 3.85Å; A84-F359 HydrophobicContact CB-CD2 4.27Å; A84-F359 HydrophobicContact CB-CG 4.49Å; V85-F359 PolarHBondContact N-O 2.84Å
360G97.8Very high97.8Very high35 Ų3568 Ų6836%0.36133%0.333SS..THydrogen-bonded Turntrans114.6-15.1-178.700000113.7V358 R362V358-G360 PolarHBondContact O-N 3.29Å; G360-R362 PolarHBondContact O-N 3.11Å
361M98.6Very high97.8Very high14 Ų1467.8 Ų67.87%0.06933%0.331CS..  trans-72.1126.8174.6-60.7-60.697.100111F69 V85 H346 F347 V355 V358 P412F69-M361 HydrophobicContact CD1-CE 3.6Å; F69-M361 HydrophobicContact CE1-CE 3.44Å; F69-M361 VanDerWaalsContact CE1-CE 3.44Å; F69-M361 HydrophobicContact CG-CE 4.21Å; F69-M361 HydrophobicContact CZ-CE 3.91Å; F69-M361 HydrophobicContact CZ-SD 4.44Å; V85-M361 HydrophobicContact CG2-CE 3.46Å; V85-M361 VanDerWaalsContact CG2-CE 3.46Å; H346-M361 HydrophobicContact CB-SD 4.33Å; F347-M361 HydrophobicContact CD2-CB 4.4Å; F347-M361 HydrophobicContact CD2-CG 3.74Å; F347-M361 HydrophobicContact CD2-SD 3.71Å; F347-M361 HydrophobicContact CE2-CG 3.79Å; F347-M361 HydrophobicContact CE2-SD 3.61Å; V355-M361 HydrophobicContact CB-CB 4.47Å; V355-M361 HydrophobicContact CG1-CB 3.88Å; V358-M361 HydrophobicContact CB-CG 3.97Å; V358-M361 HydrophobicContact CG1-CE 4.37Å; V358-M361 HydrophobicContact CG1-CG 4.18Å; V358-M361 PolarHBondContact O-N 2.87Å; M361-P412 HydrophobicContact CE-CB 4.39Å; M361-P412 HydrophobicContact CE-CG 3.85Å; M361-P412 HydrophobicContact SD-CB 4.23Å; M361-P412 HydrophobicContact SD-CG 3.96Å
362R98.1Very high97.8Very high198 Ų19866.1 Ų66.175%0.74732%0.322SS*.  trans-143.972.6-176.3-64.4-175.9-175.9-1772.1109.8H346 G360 N364 H368H346-R362 PolarHBondContact ND1-N 2.78Å; G360-R362 PolarHBondContact O-N 3.11Å; R362-N364 PolarHBondContact O-N 2.75Å; R362-H368 PolarHBondContact O-CE1 3.45Å; R362-H368 VanDerWaalsContact O-CE1 3.22Å
363P98.3Very high97.8Very high56 Ų5659.8 Ų59.836%0.36429%0.292SS..  trans-58.8133-177.224.5-34000111.5H346 Y348 V355H346-P363 HydrophobicContact CB-CB 4.47Å; Y348-P363 HydrophobicContact CD2-CB 4.47Å; V355-P363 HydrophobicContact CG1-CG 4.19Å; V355-P363 HydrophobicContact CG2-CG 3.98Å
364N98.1Very high97.8Very high65 Ų6554.7 Ų54.735%0.34827%0.27SS..  trans-138.9128.4177.2176.9-82.4000109.3R362 D366 K367 H368R362-N364 PolarHBondContact O-N 2.75Å; N364-D366 PolarHBondContact O-N 2.62Å; N364-D366 PolarHBondContact OD1-N 3.04Å; N364-K367 HydrophobicContact CB-CB 4.25Å; N364-K367 PolarHBondContact O-N 2.91Å; N364-K367 PolarHBondContact OD1-N 2.75Å; N364-H368 PolarHBondContact N-ND1 3.11Å; N364-H368 VanDerWaalsContact O-CB 3.23Å; N364-H368 WeakPolarHBondContact O-CB 3.3Å; N364-H368 PolarHBondContact O-N 3.48Å
365K96.7Very high97.7Very high116 Ų11654.4 Ų54.450%0.50427%0.269SS..Hα-helixtrans-57.5-52.7-176.9178.6174.7-180-174.60112.2Y348 K367 H368 Q369Y348-K365 HydrophobicContact CE2-CB 3.88Å; Y348-K365 HydrophobicContact CE2-CG 4.33Å; Y348-K365 WeakPolarHBondContact OH-CG 3.41Å; K365-K367 VanDerWaalsContact C-N 3.27Å; K365-K367 PolarHBondContact O-N 2.68Å; K365-H368 PolarHBondContact O-N 3.16Å; K365-Q369 HydrophobicContact CG-CB 4.38Å; K365-Q369 WeakPolarHBondContact O-CB 3.35Å; K365-Q369 PolarHBondContact O-N 3.41Å
366D95.5Very high97.5Very high129 Ų12953.9 Ų53.969%0.6927%0.267SS*.Hα-helixtrans-64.7-34-173.4-57.3-37.6000112.3N364 R387N364-D366 PolarHBondContact O-N 2.62Å; N364-D366 PolarHBondContact OD1-N 3.04Å; D366-R387 PolarHBondContact O-NH1 2.62Å; D366-R387 PolarHBondContact O-NH2 3.12Å
367K96.9Very high97.3Very high144 Ų14449.9 Ų49.963%0.62625%0.248SC*.Hα-helixtrans-85.7-31.1-180-64.8-174.2177-170.50114.5N364 K365 R387N364-K367 HydrophobicContact CB-CB 4.25Å; N364-K367 PolarHBondContact O-N 2.91Å; N364-K367 PolarHBondContact OD1-N 2.75Å; K365-K367 VanDerWaalsContact C-N 3.27Å; K365-K367 PolarHBondContact O-N 2.68Å; K367-R387 WeakPolarHBondContact O-CD 3.21Å; K367-R387 PolarHBondContact O-NE 3.21Å; K367-R387 PolarHBondContact O-NH1 3.07Å
368H98.4Very high97.1Very high5 Ų547.8 Ų47.82%0.02324%0.237CC..Hα-helixtrans-117.8-8.1-167.3-51.9159000114.1P345 H346 Y348 R362 N364 K365P345-H368 HydrophobicContact CB-CB 3.79Å; P345-H368 WeakPolarHBondContact CD-O 3.44Å; P345-H368 HydrophobicContact CG-CB 4.13Å; P345-H368 WeakPolarHBondContact O-CB 3.24Å; P345-H368 PolarHBondContact O-ND1 2Å; H346-H368 AromaticContact CD2-CE1 3.08Å; H346-H368 PolarHBondContact CD2-CE1 3.25Å; H346-H368 AromaticContact CD2-ND1 3.69Å; H346-H368 AromaticContact CD2-NE2 3.36Å; H346-H368 PolarHBondContact CD2-NE2 3.12Å; H346-H368 AromaticContact CG-CE1 3.46Å; H346-H368 VanDerWaalsContact CG-CE1 3.46Å; H346-H368 AromaticContact CG-ND1 3.96Å; H346-H368 AromaticContact NE2-CE1 3.76Å; H346-H368 AromaticContact NE2-NE2 3.75Å; Y348-H368 HydrophobicContact CG-CB 4.17Å; R362-H368 PolarHBondContact O-CE1 3.45Å; R362-H368 VanDerWaalsContact O-CE1 3.22Å; N364-H368 PolarHBondContact N-ND1 3.11Å; N364-H368 VanDerWaalsContact O-CB 3.23Å; N364-H368 WeakPolarHBondContact O-CB 3.3Å; N364-H368 PolarHBondContact O-N 3.48Å; K365-H368 PolarHBondContact O-N 3.16Å
369Q97.8Very high96.8Very high24 Ų2447.7 Ų47.711%0.11224%0.237CC..  trans-69.9135.4174175.4168.974.100111.1V298 Y348 K365 R387V298-Q369 HydrophobicContact CG1-CG 3.87Å; V298-Q369 HydrophobicContact CG2-CG 4.25Å; Y348-Q369 HydrophobicContact CE1-CB 3.89Å; Y348-Q369 HydrophobicContact CE1-CG 4.41Å; K365-Q369 HydrophobicContact CG-CB 4.38Å; K365-Q369 WeakPolarHBondContact O-CB 3.35Å; K365-Q369 PolarHBondContact O-N 3.41Å; Q369-R387 WeakPolarHBondContact O-CD 3.36Å; Q369-R387 PolarHBondContact O-NH1 3.47Å
370T97.8Very high96.6Very high23 Ų2345.2 Ų45.214%0.14123%0.228CC..  trans-77.4131162.5-72.50000109.7P299 A385 R387P299-T370 WeakPolarHBondContact CD-O 3.29Å; P299-T370 HydrophobicContact CG-CG2 3.96Å; T370-A385 VanDerWaalsContact CA-O 3.25Å; T370-A385 WeakPolarHBondContact CA-O 3.49Å; T370-R387 PolarHBondContact OG1-N 3.11Å; T370-R387 PolarHBondContact OG1-O 3.33Å
371A97.6Very high96.4Very high13 Ų1344.8 Ų44.811%0.10722%0.219CC..EExtended strand (participates in β ladder)trans-144.4147.2-18000000111.7R296 F297 V298 A384 A385R296-A371 HydrophobicContact CG-CB 4.39Å; F297-A371 WeakPolarHBondContact O-CA 3.45Å; V298-A371 HydrophobicContact CG2-CB 4.12Å; A371-A384 WeakPolarHBondContact O-CA 3.37Å; A371-A385 PolarHBondContact N-O 3.46Å; A371-A385 PolarHBondContact O-N 3.26Å
372I97.6Very high96.3Very high13 Ų1344.1 Ų44.17%0.06722%0.215CC..EExtended strand (participates in β ladder)trans-133117.1179.5-48.6169.8000107.6F258 M270 F297 I374 V381 A384F258-I372 HydrophobicContact CE2-CG2 4.03Å; F258-I372 HydrophobicContact CZ-CD1 4.18Å; M270-I372 HydrophobicContact CE-CD1 3.3Å; M270-I372 HydrophobicContact SD-CD1 4.32Å; F297-I372 PolarHBondContact N-O 3.34Å; F297-I372 PolarHBondContact O-N 3.21Å; I372-I374 HydrophobicContact CG2-CD1 3.95Å; I372-I374 HydrophobicContact CG2-CG1 3.64Å; I372-V381 HydrophobicContact CG2-CG1 4.14Å; I372-V381 HydrophobicContact CG2-CG2 4.11Å; I372-A384 HydrophobicContact CG1-CB 4.46Å; I372-A384 HydrophobicContact CG2-CB 4.28Å
373D97.9Very high96.3Very high3 Ų338.3 Ų38.32%0.01620%0.197CC..EExtended strand (participates in β ladder)trans-101.4114.5178.6-64-25.7000108.7V287 V289 Y295 R296 L382 Q383V287-D373 HydrophobicContact CG2-CB 3.95Å; V289-D373 HydrophobicContact CG2-CB 4.2Å; Y295-D373 WeakPolarHBondContact O-CA 3.33Å; R296-D373 WeakPolarHBondContact CA-OD1 3.3Å; R296-D373 WeakPolarHBondContact CB-OD1 3.45Å; R296-D373 VanDerWaalsContact CG-OD1 3.27Å; R296-D373 WeakPolarHBondContact CG-OD1 3.47Å; R296-D373 IonicContact CZ-OD1 2.72Å; R296-D373 IonicContact CZ-OD2 3.96Å; R296-D373 IonicContact NE-OD1 2.91Å; R296-D373 PolarHBondContact NE-OD1 2.83Å; R296-D373 IonicContact NE-OD2 2.68Å; R296-D373 IonicContact NH2-OD1 3.85Å; R296-D373 PolarHBondContact NH2-OD1 2.93Å; R296-D373 IonicContact NH2-OD2 2.89Å; R296-D373 PolarHBondContact NH2-OD2 2.87Å; D373-L382 PolarHBondContact O-N 3.1Å; D373-Q383 HydrophobicContact CB-CB 4.21Å; D373-Q383 WeakPolarHBondContact CB-O 3.38Å; D373-Q383 PolarHBondContact N-O 3.02Å; D373-Q383 PolarHBondContact O-N 3.13Å
374I97.2Very high96.2Very high0 Ų036.5 Ų36.50%019%0.187CC..EExtended strand (participates in β ladder)trans-118.3136.6-169.8-50.3168000109.8F258 I262 L268 G294 Y295 F297 I372 P376 G379 I380F258-I374 HydrophobicContact CD2-CD1 3.45Å; F258-I374 VanDerWaalsContact CD2-CD1 3.45Å; F258-I374 HydrophobicContact CD2-CG1 4.15Å; F258-I374 HydrophobicContact CE2-CD1 3.65Å; F258-I374 HydrophobicContact CE2-CG1 4.34Å; F258-I374 HydrophobicContact CG-CD1 3.97Å; F258-I374 HydrophobicContact CZ-CD1 4.29Å; I262-I374 HydrophobicContact CD1-CB 4.18Å; I262-I374 HydrophobicContact CD1-CD1 4.2Å; I262-I374 HydrophobicContact CD1-CG2 3.44Å; I262-I374 VanDerWaalsContact CD1-CG2 3.44Å; L268-I374 HydrophobicContact CD1-CD1 3.34Å; G294-I374 CarbonylContact C-O 3.58Å; G294-I374 VanDerWaalsContact CA-O 3.25Å; G294-I374 WeakPolarHBondContact CA-O 3.34Å; Y295-I374 PolarHBondContact N-O 2.99Å; Y295-I374 PolarHBondContact O-N 3.24Å; F297-I374 HydrophobicContact CD2-CD1 3.94Å; F297-I374 HydrophobicContact CE2-CD1 4.46Å; F297-I374 HydrophobicContact CG-CD1 4.49Å; I372-I374 HydrophobicContact CG2-CD1 3.95Å; I372-I374 HydrophobicContact CG2-CG1 3.64Å; I374-P376 WeakPolarHBondContact O-CD 3.22Å; I374-G379 VanDerWaalsContact CG2-C 3.49Å; I374-G379 WeakPolarHBondContact CG2-O 3.4Å; I374-I380 WeakPolarHBondContact CG2-O 3.46Å
375N95.8Very high96.2Very high8 Ų834.1 Ų34.14%0.04318%0.176CC..  trans-69.9120.8169.3-178.8-95000109.8P293 L377 T378 G379 I380 L382P293-N375 PolarHBondContact O-ND2 3.17Å; P293-N375 VanDerWaalsContact O-ND2 3.08Å; N375-L377 VanDerWaalsContact C-N 3.27Å; N375-L377 PolarHBondContact O-N 2.87Å; N375-L377 PolarHBondContact OD1-N 3.25Å; N375-L377 VanDerWaalsContact OD1-N 3.14Å; N375-T378 PolarHBondContact O-N 2.91Å; N375-T378 PolarHBondContact OD1-N 2.84Å; N375-T378 VanDerWaalsContact OD1-N 3.11Å; N375-T378 PolarHBondContact OD1-OG1 2.87Å; N375-G379 PolarHBondContact O-N 2.83Å; N375-I380 PolarHBondContact N-O 2.91Å; N375-L382 HydrophobicContact CB-CD1 4.13Å; N375-L382 HydrophobicContact CB-CD2 4.12Å; N375-L382 HydrophobicContact CB-CG 4.14Å
376P95.4Very high96.2Very high17 Ų1731 Ų3111%0.1116%0.162CC..THydrogen-bonded Turntrans-71-21.4-171.127.5-36.4000114I261 I262 Y295 I374I261-P376 CarbonylContact C-O 3.53Å; I261-P376 WeakPolarHBondContact CA-O 3.31Å; I261-P376 PolarHBondContact N-O 3.45Å; I262-P376 PolarHBondContact N-O 3.33Å; Y295-P376 HydrophobicContact CD1-CB 4.47Å; Y295-P376 HydrophobicContact CD1-CG 4.34Å; Y295-P376 HydrophobicContact CD2-CB 3.62Å; Y295-P376 HydrophobicContact CD2-CG 4.35Å; Y295-P376 HydrophobicContact CE1-CB 4.26Å; Y295-P376 HydrophobicContact CE1-CG 4.06Å; Y295-P376 HydrophobicContact CE2-CB 3.36Å; Y295-P376 HydrophobicContact CE2-CG 4.08Å; Y295-P376 HydrophobicContact CG-CB 4.16Å; Y295-P376 HydrophobicContact CG-CG 4.46Å; I374-P376 WeakPolarHBondContact O-CD 3.22Å
377L93.6Very high96.3Very high14 Ų1427 Ų277%0.07314%0.137CC..THydrogen-bonded Turntrans-77.5-48.5178-179.864000110.5L35 V39 P260 I261 N375 V433 K437L35-L377 HydrophobicContact CD2-CD2 4.23Å; V39-L377 HydrophobicContact CB-CD1 4.44Å; V39-L377 HydrophobicContact CG1-CD1 4.49Å; V39-L377 HydrophobicContact CG1-CG 4.45Å; V39-L377 WeakPolarHBondContact CG1-O 3.37Å; V39-L377 HydrophobicContact CG2-CD1 3.94Å; V39-L377 HydrophobicContact CG2-CD2 4.19Å; V39-L377 HydrophobicContact CG2-CG 4.02Å; P260-L377 WeakPolarHBondContact CB-O 3.5Å; I261-L377 HydrophobicContact CG1-CD1 4.48Å; I261-L377 PolarHBondContact N-O 3.42Å; N375-L377 VanDerWaalsContact C-N 3.27Å; N375-L377 PolarHBondContact O-N 2.87Å; N375-L377 PolarHBondContact OD1-N 3.25Å; N375-L377 VanDerWaalsContact OD1-N 3.14Å; L377-V433 HydrophobicContact CD2-CG1 4.3Å; L377-K437 HydrophobicContact CD2-CD 4.06Å
378T92.7Very high96.4Very high15 Ų1520.7 Ų20.79%0.09211%0.11CC..THydrogen-bonded Turntrans-96.3-21.4-169.361.90000114.5N375 I380 L430N375-T378 PolarHBondContact O-N 2.91Å; N375-T378 PolarHBondContact OD1-N 2.84Å; N375-T378 VanDerWaalsContact OD1-N 3.11Å; N375-T378 PolarHBondContact OD1-OG1 2.87Å; T378-I380 PolarHBondContact O-N 2.84Å; T378-I380 PolarHBondContact OG1-N 2.92Å; T378-L430 HydrophobicContact CG2-CD2 4.11Å
379G93.3Very high96.4Very high1 Ų120.4 Ų20.41%0.0111%0.109CC..  trans78.55-172.900000114.1F258 H259 I374 N375F258-G379 PolarHBondContact N-O 2.66Å; H259-G379 WeakPolarHBondContact O-CA 3.4Å; I374-G379 VanDerWaalsContact CG2-C 3.49Å; I374-G379 WeakPolarHBondContact CG2-O 3.4Å; N375-G379 PolarHBondContact O-N 2.83Å
380I92.8Very high96.4Very high57 Ų5720 Ų2029%0.29211%0.107SC..  trans-75.8133.7178.7-66.5169.9000110.1I374 N375 T378 L382 L430I374-I380 WeakPolarHBondContact CG2-O 3.46Å; N375-I380 PolarHBondContact N-O 2.91Å; T378-I380 PolarHBondContact O-N 2.84Å; T378-I380 PolarHBondContact OG1-N 2.92Å; I380-L382 PolarHBondContact O-N 3.07Å; I380-L430 HydrophobicContact CD1-CD2 4.2Å; I380-L430 HydrophobicContact CG2-CD1 4.34Å
381V95.4Very high96.5Very high26 Ų2618.9 Ų18.916%0.15810%0.101CC..EExtended strand (participates in β ladder)trans-70.3118.4172.2179.70000109.3F258 I372 A384 V420F258-V381 HydrophobicContact CD2-CG2 4.12Å; F258-V381 HydrophobicContact CE2-CG2 4.01Å; I372-V381 HydrophobicContact CG2-CG1 4.14Å; I372-V381 HydrophobicContact CG2-CG2 4.11Å; V381-A384 HydrophobicContact CG1-CB 3.79Å; V381-V420 HydrophobicContact CG1-CG1 4.35Å
382L96.4Very high96.5Very high0 Ų018.2 Ų18.20%010%0.096CC..EExtended strand (participates in β ladder)trans-85.6-41.1177.6-60.9175.7000111.3V289 I292 D373 N375 I380 I422 L430V289-L382 HydrophobicContact CB-CB 4Å; V289-L382 HydrophobicContact CB-CD1 4.3Å; V289-L382 HydrophobicContact CG1-CB 4.08Å; V289-L382 HydrophobicContact CG2-CB 4.27Å; I292-L382 HydrophobicContact CB-CD1 4.22Å; I292-L382 HydrophobicContact CB-CD2 4.41Å; I292-L382 HydrophobicContact CD1-CD2 4.17Å; I292-L382 HydrophobicContact CG2-CD1 3.83Å; I292-L382 HydrophobicContact CG2-CD2 3.96Å; D373-L382 PolarHBondContact O-N 3.1Å; N375-L382 HydrophobicContact CB-CD1 4.13Å; N375-L382 HydrophobicContact CB-CD2 4.12Å; N375-L382 HydrophobicContact CB-CG 4.14Å; I380-L382 PolarHBondContact O-N 3.07Å; L382-I422 HydrophobicContact CD2-CD1 3.98Å; L382-I422 WeakPolarHBondContact O-CB 3.14Å; L382-I422 WeakPolarHBondContact O-CG2 3.34Å; L382-I422 PolarHBondContact O-N 3.34Å; L382-L430 HydrophobicContact CD2-CD1 3.75Å
383Q97Very high96.5Very high75 Ų7520.5 Ų20.535%0.3510%0.104SC..EExtended strand (participates in β ladder)trans-151.3142.3176.7178.5176.41000107.9V289 D373 V420 L421V289-Q383 HydrophobicContact CG1-CB 4.16Å; V289-Q383 HydrophobicContact CG2-CB 4.28Å; D373-Q383 HydrophobicContact CB-CB 4.21Å; D373-Q383 WeakPolarHBondContact CB-O 3.38Å; D373-Q383 PolarHBondContact N-O 3.02Å; D373-Q383 PolarHBondContact O-N 3.13Å; Q383-V420 VanDerWaalsContact CA-O 3.29Å; Q383-V420 WeakPolarHBondContact CA-O 3.48Å; Q383-L421 HydrophobicContact CB-CD1 4.12Å; Q383-L421 HydrophobicContact CG-CD1 4.3Å
384A97.2Very high96.5Very high19 Ų1920.4 Ų20.416%0.15710%0.103CC..EExtended strand (participates in β ladder)trans-144.7152168.100000110.5A371 I372 V381 S419 V420A371-A384 WeakPolarHBondContact O-CA 3.37Å; I372-A384 HydrophobicContact CG1-CB 4.46Å; I372-A384 HydrophobicContact CG2-CB 4.28Å; V381-A384 HydrophobicContact CG1-CB 3.79Å; A384-S419 VanDerWaalsContact O-CA 3.23Å; A384-S419 WeakPolarHBondContact O-CA 3.34Å; A384-S419 WeakPolarHBondContact O-CB 3.49Å; A384-V420 HydrophobicContact CB-CG1 4Å; A384-V420 PolarHBondContact N-O 2.91Å; A384-V420 PolarHBondContact O-N 3.47Å
385A97.6Very high96.5Very high14 Ų1422.5 Ų22.512%0.11611%0.113CC..EExtended strand (participates in β ladder)trans-136.3102.5169.200000107.5T370 A371 R387 E418T370-A385 VanDerWaalsContact CA-O 3.25Å; T370-A385 WeakPolarHBondContact CA-O 3.49Å; A371-A385 PolarHBondContact N-O 3.46Å; A371-A385 PolarHBondContact O-N 3.26Å; A385-R387 HydrophobicContact CB-CG 4.49Å; A385-E418 WeakPolarHBondContact CA-O 3.4Å
386K97.1Very high96.6Very high51 Ų5126.9 Ų26.922%0.22213%0.131CC..EExtended strand (participates in β ladder)trans-90118.2171.6170.5-178.1158.7-149.50108.1D274 L388 E418D274-K386 IonicContact OD2-NZ 3.5Å; D274-K386 PolarHBondContact OD2-NZ 2.97Å; K386-L388 HydrophobicContact CG-CD1 4.49Å; K386-L388 HydrophobicContact CG-CG 4.4Å; K386-E418 HydrophobicContact CB-CB 4.3Å; K386-E418 WeakPolarHBondContact CD-OE2 3.1Å; K386-E418 PolarHBondContact N-O 2.8Å; K386-E418 IonicContact NZ-OE2 3.72Å; K386-E418 PolarHBondContact NZ-OE2 2.88Å; K386-E418 PolarHBondContact O-N 3.22Å
387R97.9Very high96.6Very high45 Ų4526.4 Ų26.417%0.1713%0.128CC..EExtended strand (participates in β ladder)trans-126.6116-172.4-59.1-179.8-175.6155.2-17.3110.4P345 D366 K367 Q369 T370 A385 L416 N417P345-R387 HydrophobicContact CG-CB 3.79Å; D366-R387 PolarHBondContact O-NH1 2.62Å; D366-R387 PolarHBondContact O-NH2 3.12Å; K367-R387 WeakPolarHBondContact O-CD 3.21Å; K367-R387 PolarHBondContact O-NE 3.21Å; K367-R387 PolarHBondContact O-NH1 3.07Å; Q369-R387 WeakPolarHBondContact O-CD 3.36Å; Q369-R387 PolarHBondContact O-NH1 3.47Å; T370-R387 PolarHBondContact OG1-N 3.11Å; T370-R387 PolarHBondContact OG1-O 3.33Å; A385-R387 HydrophobicContact CB-CG 4.49Å; R387-L416 VanDerWaalsContact CA-O 3.26Å; R387-L416 WeakPolarHBondContact CA-O 3.38Å; R387-N417 HydrophobicContact CG-CB 4.25Å; R387-N417 WeakPolarHBondContact CG-OD1 3.35Å; R387-N417 PolarHBondContact NE-OD1 3.21Å
388L97.8Very high96.7Very high11 Ų1131.4 Ų31.46%0.05816%0.162CC..EExtended strand (participates in β ladder)trans-132.7144.8-176.1-60.5178.1000109.7L275 M342 K386 Y415 L416L275-L388 HydrophobicContact CD1-CD1 4.38Å; L275-L388 HydrophobicContact CD1-CD2 4.02Å; L275-L388 HydrophobicContact CD2-CD1 4.09Å; L275-L388 HydrophobicContact CD2-CD2 4.05Å; L275-L388 HydrophobicContact CG-CD1 4.07Å; L275-L388 HydrophobicContact CG-CD2 4.36Å; M342-L388 HydrophobicContact CE-CB 4.17Å; M342-L388 HydrophobicContact CE-CD1 4.11Å; K386-L388 HydrophobicContact CG-CD1 4.49Å; K386-L388 HydrophobicContact CG-CG 4.4Å; L388-Y415 CarbonylContact O-C 3.6Å; L388-Y415 WeakPolarHBondContact O-CA 3.36Å; L388-Y415 WeakPolarHBondContact O-CB 3.43Å; L388-L416 HydrophobicContact CB-CD1 4.31Å; L388-L416 HydrophobicContact CB-CD2 4.5Å; L388-L416 HydrophobicContact CB-CG 4.23Å; L388-L416 PolarHBondContact N-O 2.97Å; L388-L416 PolarHBondContact O-N 3.09Å
389Q98.8Very high96.8Very high0 Ų032.6 Ų32.60%017%0.17CC..EExtended strand (participates in β ladder)trans-116.3132.7175.8178.6170.1-65.100110.1F69 M342 S343 N391 M414F69-Q389 HydrophobicContact CE2-CG 4.3Å; F69-Q389 VanDerWaalsContact CE2-OE1 3.28Å; M342-Q389 WeakPolarHBondContact CA-O 3.5Å; S343-Q389 PolarHBondContact N-O 2.98Å; S343-Q389 PolarHBondContact O-N 3.19Å; S343-Q389 WeakPolarHBondContact OG-CB 3.32Å; S343-Q389 PolarHBondContact OG-NE2 3.18Å; Q389-N391 WeakPolarHBondContact CG-OD1 3.48Å; Q389-N391 PolarHBondContact NE2-OD1 2.51Å; Q389-M414 WeakPolarHBondContact CA-O 3.25Å; Q389-M414 WeakPolarHBondContact CG-O 3.47Å
390I98.7Very high96.9Very high14 Ų1432.6 Ų32.67%0.07217%0.17CC..EExtended strand (participates in β ladder)trans-96.2123.9173.5-57.3-179000107.5L203 F204 I340 M342 V413 M414L203-I390 HydrophobicContact CD2-CD1 4.32Å; L203-I390 HydrophobicContact CD2-CG2 4.21Å; F204-I390 HydrophobicContact CE2-CD1 4.32Å; I340-I390 HydrophobicContact CG2-CG2 3.92Å; M342-I390 HydrophobicContact CE-CG1 4.46Å; M342-I390 HydrophobicContact SD-CG1 4.15Å; I390-V413 PolarHBondContact O-N 2.88Å; I390-M414 HydrophobicContact CB-CG 4.41Å; I390-M414 HydrophobicContact CD1-CE 3.95Å; I390-M414 PolarHBondContact N-O 2.93Å; I390-M414 PolarHBondContact O-N 3.45Å
391N98.8Very high97Very high0 Ų033 Ų330%018%0.178CC..EExtended strand (participates in β ladder)trans-124.6163175.9-43-84.5000109.7I340 I341 S343 F347 Q389 V410 F411 P412I340-N391 WeakPolarHBondContact CA-O 3.49Å; I341-N391 HydrophobicContact CB-CB 4.26Å; I341-N391 PolarHBondContact N-O 3.06Å; I341-N391 WeakPolarHBondContact O-CA 3.45Å; I341-N391 VanDerWaalsContact O-CB 3.29Å; I341-N391 WeakPolarHBondContact O-CB 3.37Å; I341-N391 PolarHBondContact O-N 2.78Å; I341-N391 PolarHBondContact O-ND2 3.4Å; S343-N391 PolarHBondContact OG-ND2 3.17Å; F347-N391 VanDerWaalsContact CE1-OD1 3.29Å; F347-N391 WeakPolarHBondContact CE1-OD1 3.44Å; F347-N391 WeakPolarHBondContact CZ-OD1 3.4Å; Q389-N391 WeakPolarHBondContact CG-OD1 3.48Å; Q389-N391 PolarHBondContact NE2-OD1 2.51Å; N391-V410 HydrophobicContact CB-CG1 3.5Å; N391-F411 CarbonylContact C-O 3.5Å; N391-F411 WeakPolarHBondContact CA-O 3.42Å; N391-F411 WeakPolarHBondContact CB-O 3.23Å; N391-P412 VanDerWaalsContact OD1-CA 3.32Å; N391-P412 WeakPolarHBondContact OD1-CA 3.29Å
392V98.4Very high97.1Very high0 Ų032.5 Ų32.50%017%0.174CC..EExtended strand (participates in β ladder)trans-122.8129176.9175.70000107.9V137 I139 M142 P339 I340 V394 F411 V413V137-V392 HydrophobicContact CG1-CB 3.8Å; V137-V392 HydrophobicContact CG1-CG1 4.04Å; V137-V392 HydrophobicContact CG1-CG2 3.67Å; V137-V392 HydrophobicContact CG2-CG1 4.3Å; I139-V392 HydrophobicContact CD1-CG2 3.9Å; I139-V392 HydrophobicContact CG1-CG2 3.75Å; M142-V392 HydrophobicContact CB-CG1 4.48Å; M142-V392 HydrophobicContact CG-CG1 4.48Å; P339-V392 HydrophobicContact CG-CG1 4.21Å; P339-V392 WeakPolarHBondContact O-CA 3.19Å; I340-V392 HydrophobicContact CD1-CG2 4.14Å; V392-V394 HydrophobicContact CB-CG2 4.48Å; V392-V394 HydrophobicContact CG1-CG2 4.01Å; V392-V394 PolarHBondContact O-N 2.92Å; V392-F411 PolarHBondContact N-O 3.08Å; V392-F411 WeakPolarHBondContact O-CB 3.19Å; V392-F411 PolarHBondContact O-N 2.97Å; V392-V413 HydrophobicContact CB-CG2 4.39Å; V392-V413 HydrophobicContact CG2-CG2 3.59Å
393Y97.5Very high97.1Very high61 Ų6132.6 Ų32.624%0.23918%0.175CC..EExtended strand (participates in β ladder)trans-73.7114.2172.2-172.9-92000108.8L324 P339 E395 T408 V410L324-Y393 HydrophobicContact CD2-CD2 4.21Å; L324-Y393 HydrophobicContact CD2-CE2 4.05Å; P339-Y393 PolarHBondContact O-N 2.85Å; Y393-E395 HydrophobicContact CE1-CB 4.05Å; Y393-E395 HydrophobicContact CE1-CG 3.99Å; Y393-T408 HydrophobicContact CE1-CG2 4.34Å; Y393-T408 HydrophobicContact CE2-CG2 3.98Å; Y393-T408 WeakPolarHBondContact OH-CG2 3.1Å; Y393-V410 HydrophobicContact CD2-CG2 4.28Å
394V97.9Very high97.1Very high1 Ų130.3 Ų30.31%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-113125.9-178.5176.50000108.5V137 L169 V392 V406 T408 V409 F411V137-V394 HydrophobicContact CG2-CG2 3.92Å; L169-V394 HydrophobicContact CD1-CG1 4.3Å; L169-V394 HydrophobicContact CD2-CG1 4.14Å; V392-V394 HydrophobicContact CB-CG2 4.48Å; V392-V394 HydrophobicContact CG1-CG2 4.01Å; V392-V394 PolarHBondContact O-N 2.92Å; V394-V406 HydrophobicContact CG1-CG1 4.02Å; V394-V406 HydrophobicContact CG1-CG2 3.86Å; V394-T408 CarbonylContact O-C 3.59Å; V394-T408 VanDerWaalsContact O-CA 3.28Å; V394-T408 WeakPolarHBondContact O-CA 3.4Å; V394-V409 HydrophobicContact CB-CG1 4.07Å; V394-V409 PolarHBondContact N-O 3.31Å; V394-V409 PolarHBondContact O-N 3.04Å; V394-F411 HydrophobicContact CG2-CB 3.81Å
395E96.8Very high97.1Very high44 Ų4433.9 Ų33.921%0.20619%0.187CC..  trans-139.3164.9173.467.7178.5177.100111.7K149 Y393 I397 T408K149-E395 IonicContact NZ-OE1 3.76Å; K149-E395 PolarHBondContact NZ-OE1 2.88Å; K149-E395 VanDerWaalsContact NZ-OE1 3.12Å; Y393-E395 HydrophobicContact CE1-CB 4.05Å; Y393-E395 HydrophobicContact CE1-CG 3.99Å; E395-I397 HydrophobicContact CG-CG1 4.33Å; E395-I397 PolarHBondContact O-N 2.89Å; E395-T408 HydrophobicContact CB-CG2 4.33Å
396K97.3Very high97.1Very high99 Ų9933.6 Ų33.643%0.4318%0.184SC..  trans-71.9124170.5179.6177.9-1771690109.3G404 N405 V406K396-G404 WeakPolarHBondContact CD-O 3.44Å; K396-G404 VanDerWaalsContact CE-O 3.23Å; K396-G404 WeakPolarHBondContact CE-O 3.4Å; K396-N405 PolarHBondContact NZ-OD1 3.46Å; K396-V406 HydrophobicContact CB-CG1 4.47Å
397I96.4Very high97.1Very high7 Ų736.9 Ų36.94%0.03620%0.195CC..  trans-111.9108.1175.1-51.9166.8000108.1M142 M145 E146 K149 E395 S399 F400 T403M142-I397 HydrophobicContact CE-CD1 4.38Å; M145-I397 HydrophobicContact CB-CD1 3.65Å; E146-I397 HydrophobicContact CG-CD1 4.4Å; E146-I397 VanDerWaalsContact OE1-CD1 3.32Å; E146-I397 WeakPolarHBondContact OE1-CD1 3.4Å; K149-I397 HydrophobicContact CB-CG2 3.66Å; E395-I397 HydrophobicContact CG-CG1 4.33Å; E395-I397 PolarHBondContact O-N 2.89Å; I397-S399 PolarHBondContact O-N 3.11Å; I397-S399 VanDerWaalsContact O-N 3.09Å; I397-F400 HydrophobicContact CB-CB 4.46Å; I397-F400 HydrophobicContact CB-CD2 4.14Å; I397-F400 HydrophobicContact CG2-CD2 3.63Å; I397-F400 HydrophobicContact CG2-CE2 4.31Å; I397-F400 PolarHBondContact O-N 2.92Å; I397-T403 HydrophobicContact CB-CG2 4.16Å; I397-T403 HydrophobicContact CD1-CG2 4.28Å; I397-T403 HydrophobicContact CG1-CG2 4.2Å; I397-T403 PolarHBondContact N-OG1 3.09Å; I397-T403 PolarHBondContact O-OG1 3.5Å
398P94.8Very high97.1Very high120 Ų12038.6 Ų38.678%0.77921%0.21SC*.THydrogen-bonded Turntrans-55.2-33.6-172.2-2935.8000114.9F400P398-F400 PolarHBondContact O-N 3.31Å
399S94.4Very high97.1Very high40 Ų4038.3 Ų38.328%0.2821%0.209SC..THydrogen-bonded Turntrans-71.1-12.7178.7-49.10000113.7I397I397-S399 PolarHBondContact O-N 3.11Å; I397-S399 VanDerWaalsContact O-N 3.09Å
400F96.5Very high97Very high1 Ų138.7 Ų38.70%0.00421%0.211CC..  trans-123.9105.7-176.7-67.7-81.6000111.9M145 A155 I158 I397 P398 Q402 T403M145-F400 HydrophobicContact CB-CD1 4.34Å; M145-F400 HydrophobicContact CB-CD2 3.77Å; M145-F400 HydrophobicContact CB-CE1 4.38Å; M145-F400 HydrophobicContact CB-CE2 3.81Å; M145-F400 HydrophobicContact CB-CG 4.04Å; M145-F400 HydrophobicContact CB-CZ 4.12Å; M145-F400 HydrophobicContact CG-CB 4.16Å; M145-F400 HydrophobicContact CG-CD1 3.53Å; M145-F400 HydrophobicContact CG-CD2 3.85Å; M145-F400 HydrophobicContact CG-CE1 3.75Å; M145-F400 HydrophobicContact CG-CE2 4.05Å; M145-F400 HydrophobicContact CG-CG 3.57Å; M145-F400 HydrophobicContact CG-CZ 4Å; M145-F400 VanDerWaalsContact O-CE2 3.28Å; M145-F400 WeakPolarHBondContact O-CE2 3.24Å; M145-F400 HydrophobicContact SD-CB 3.54Å; M145-F400 VanDerWaalsContact SD-CB 3.54Å; M145-F400 HydrophobicContact SD-CD1 3.87Å; M145-F400 HydrophobicContact SD-CD2 4.32Å; M145-F400 HydrophobicContact SD-CG 3.66Å; A155-F400 HydrophobicContact CB-CE1 4.28Å; A155-F400 HydrophobicContact CB-CE2 3.71Å; A155-F400 HydrophobicContact CB-CZ 3.58Å; A155-F400 WeakPolarHBondContact O-CE1 3.43Å; I158-F400 HydrophobicContact CB-CE1 3.86Å; I158-F400 HydrophobicContact CB-CZ 4.46Å; I158-F400 HydrophobicContact CG2-CE1 3.7Å; I158-F400 HydrophobicContact CG2-CZ 4.43Å; I397-F400 HydrophobicContact CB-CB 4.46Å; I397-F400 HydrophobicContact CB-CD2 4.14Å; I397-F400 HydrophobicContact CG2-CD2 3.63Å; I397-F400 HydrophobicContact CG2-CE2 4.31Å; I397-F400 PolarHBondContact O-N 2.92Å; P398-F400 PolarHBondContact O-N 3.31Å; F400-Q402 PolarHBondContact O-N 3.26Å; F400-T403 HydrophobicContact CB-CG2 4.47Å; F400-T403 PolarHBondContact O-N 2.82Å; F400-T403 PolarHBondContact O-OG1 2.9Å
401S95.4Very high97Very high65 Ų6538 Ų3846%0.45521%0.208SC..G310 helixtrans-58.9-22.7178.1580000113.8S159 R163 T403 G404S159-S401 PolarHBondContact OG-N 3.06Å; S159-S401 PolarHBondContact OG-OG 3.27Å; R163-S401 WeakPolarHBondContact CD-OG 3.19Å; R163-S401 PolarHBondContact NH1-OG 3.18Å; S401-T403 PolarHBondContact O-N 2.9Å; S401-G404 PolarHBondContact O-N 3.38Å; S401-G404 VanDerWaalsContact O-N 3.11Å
402Q97.1Very high97Very high16 Ų1638 Ų388%0.07521%0.208CC..G310 helixtrans-60.3-28.5179.5-69.973.515.800112.9L78 M145 S159 M162 I167 F400 G404L78-Q402 WeakPolarHBondContact CD2-O 3.12Å; M145-Q402 HydrophobicContact SD-CB 4.07Å; S159-Q402 PolarHBondContact O-NE2 3.26Å; S159-Q402 PolarHBondContact OG-OE1 2.83Å; M162-Q402 HydrophobicContact CB-CG 4.14Å; M162-Q402 HydrophobicContact CE-CB 4.36Å; M162-Q402 HydrophobicContact CE-CG 3.77Å; M162-Q402 HydrophobicContact SD-CG 4.2Å; I167-Q402 WeakPolarHBondContact O-CG 3.24Å; F400-Q402 PolarHBondContact O-N 3.26Å; Q402-G404 VanDerWaalsContact C-N 3.29Å
403T96.9Very high97.1Very high2 Ų238 Ų381%0.01221%0.208CC..G310 helixtrans-78.2-14.2179.1640000113.1M145 I397 F400 S401 N405 V406M145-T403 HydrophobicContact CE-CG2 4.01Å; M145-T403 HydrophobicContact SD-CG2 4Å; I397-T403 HydrophobicContact CB-CG2 4.16Å; I397-T403 HydrophobicContact CD1-CG2 4.28Å; I397-T403 HydrophobicContact CG1-CG2 4.2Å; I397-T403 PolarHBondContact N-OG1 3.09Å; I397-T403 PolarHBondContact O-OG1 3.5Å; F400-T403 HydrophobicContact CB-CG2 4.47Å; F400-T403 PolarHBondContact O-N 2.82Å; F400-T403 PolarHBondContact O-OG1 2.9Å; S401-T403 PolarHBondContact O-N 2.9Å; T403-N405 PolarHBondContact O-N 3.04Å; T403-V406 WeakPolarHBondContact O-CB 3.32Å; T403-V406 VanDerWaalsContact O-CG1 3.25Å; T403-V406 WeakPolarHBondContact O-CG1 3.34Å; T403-V406 PolarHBondContact O-N 2.84Å; T403-V406 VanDerWaalsContact O-N 3.11Å
404G95.7Very high97.1Very high26 Ų2635.1 Ų35.127%0.26820%0.197SC..THydrogen-bonded Turntrans53.4-127.518000000112.8K396 S401 Q402K396-G404 WeakPolarHBondContact CD-O 3.44Å; K396-G404 VanDerWaalsContact CE-O 3.23Å; K396-G404 WeakPolarHBondContact CE-O 3.4Å; S401-G404 PolarHBondContact O-N 3.38Å; S401-G404 VanDerWaalsContact O-N 3.11Å; Q402-G404 VanDerWaalsContact C-N 3.29Å
405N97.3Very high97.2Very high95 Ų9535.8 Ų35.851%0.50820%0.199SC..THydrogen-bonded Turntrans-114.231.7173.6-67.2-37.8000111.6L78 G80 K396 T403L78-N405 PolarHBondContact O-N 3.1Å; G80-N405 WeakPolarHBondContact CA-O 3.36Å; G80-N405 PolarHBondContact N-O 3.34Å; K396-N405 PolarHBondContact NZ-OD1 3.46Å; T403-N405 PolarHBondContact O-N 3.04Å
406V97.7Very high97.2Very high7 Ų734 Ų344%0.04219%0.191CC..PPolyproline II helixtrans-55.3141.6179.1730000111.3V77 L169 V394 K396 T403V77-V406 HydrophobicContact CG1-CG2 3.63Å; V77-V406 WeakPolarHBondContact O-CA 3.25Å; L169-V406 HydrophobicContact CD2-CB 4.27Å; L169-V406 HydrophobicContact CD2-CG1 4.32Å; L169-V406 HydrophobicContact CD2-CG2 4.21Å; V394-V406 HydrophobicContact CG1-CG1 4.02Å; V394-V406 HydrophobicContact CG1-CG2 3.86Å; K396-V406 HydrophobicContact CB-CG1 4.47Å; T403-V406 WeakPolarHBondContact O-CB 3.32Å; T403-V406 VanDerWaalsContact O-CG1 3.25Å; T403-V406 WeakPolarHBondContact O-CG1 3.34Å; T403-V406 PolarHBondContact O-N 2.84Å; T403-V406 VanDerWaalsContact O-N 3.11Å
407R96.9Very high97.3Very high120 Ų12030.1 Ų30.145%0.45318%0.175SC..PPolyproline II helixtrans-71.5151172-61.2-173.4-174.2-176.58.8109.8G80 E81 V409G80-R407 VanDerWaalsContact O-CZ 3.23Å; G80-R407 PolarHBondContact O-NE 3.17Å; G80-R407 PolarHBondContact O-NH2 3.23Å; E81-R407 IonicContact OE2-NH2 3.27Å; R407-V409 PolarHBondContact O-N 2.7Å
408T97.4Very high97.3Very high81 Ų8130.7 Ų30.750%0.49718%0.178SC..PPolyproline II helixtrans-63.9117.1165-56.90000109.2Y393 V394 E395Y393-T408 HydrophobicContact CE1-CG2 4.34Å; Y393-T408 HydrophobicContact CE2-CG2 3.98Å; Y393-T408 WeakPolarHBondContact OH-CG2 3.1Å; V394-T408 CarbonylContact O-C 3.59Å; V394-T408 VanDerWaalsContact O-CA 3.28Å; V394-T408 WeakPolarHBondContact O-CA 3.4Å; E395-T408 HydrophobicContact CB-CG2 4.33Å
409V97.7Very high97.5Very high6 Ų626.4 Ų26.44%0.03615%0.15CC..EExtended strand (participates in β ladder)trans-148.1143.6-175.765.10000110.9P83 D357 V358 V394 R407 F411P83-V409 HydrophobicContact CG-CG1 4.3Å; D357-V409 HydrophobicContact CB-CG2 4.08Å; V358-V409 HydrophobicContact CG2-CG2 3.71Å; V394-V409 HydrophobicContact CB-CG1 4.07Å; V394-V409 PolarHBondContact N-O 3.31Å; V394-V409 PolarHBondContact O-N 3.04Å; R407-V409 PolarHBondContact O-N 2.7Å; V409-F411 HydrophobicContact CG1-CB 4.45Å; V409-F411 PolarHBondContact O-N 3.45Å
410V98.4Very high97.6Very high7 Ų725.9 Ų25.94%0.04215%0.145CC..EExtended strand (participates in β ladder)trans-85.195167.1179.70000107L328 I341 F347 F354 N391 Y393 P412L328-V410 HydrophobicContact CD1-CB 4.44Å; L328-V410 HydrophobicContact CD1-CG1 4.24Å; L328-V410 HydrophobicContact CD1-CG2 3.84Å; I341-V410 HydrophobicContact CB-CG1 4.18Å; I341-V410 HydrophobicContact CG1-CG1 4.48Å; I341-V410 HydrophobicContact CG2-CG1 4.19Å; F347-V410 HydrophobicContact CE1-CG1 3.93Å; F347-V410 HydrophobicContact CZ-CG1 4.23Å; F347-V410 WeakPolarHBondContact CZ-O 3.38Å; F354-V410 HydrophobicContact CD1-CB 4.38Å; F354-V410 HydrophobicContact CD1-CG2 4.15Å; F354-V410 HydrophobicContact CE1-CG2 3.99Å; N391-V410 HydrophobicContact CB-CG1 3.5Å; Y393-V410 HydrophobicContact CD2-CG2 4.28Å; V410-P412 WeakPolarHBondContact O-CD 3.46Å
411F98.7Very high97.6Very high1 Ų129.4 Ų29.40%0.00416%0.164CC..EExtended strand (participates in β ladder)trans-80.9119.7-171.3-171.1-80.1000111L71 P83 V85 V137 F170 N391 V392 V394 V409 V413L71-F411 HydrophobicContact CB-CZ 4.16Å; L71-F411 HydrophobicContact CD1-CE2 4Å; L71-F411 HydrophobicContact CD1-CZ 4.05Å; L71-F411 HydrophobicContact CD2-CE2 4.23Å; L71-F411 HydrophobicContact CD2-CZ 4.08Å; L71-F411 HydrophobicContact CG-CZ 4.33Å; P83-F411 HydrophobicContact CB-CD2 4.15Å; P83-F411 HydrophobicContact CB-CE2 3.81Å; P83-F411 HydrophobicContact CG-CD2 4.02Å; P83-F411 HydrophobicContact CG-CE2 4.11Å; V85-F411 HydrophobicContact CG1-CZ 4.27Å; V137-F411 HydrophobicContact CB-CD1 4.26Å; V137-F411 HydrophobicContact CB-CE1 4.5Å; V137-F411 HydrophobicContact CG1-CD1 4.12Å; F170-F411 AromaticContact CE1-CE2 4Å; F170-F411 HydrophobicContact CE1-CE2 4Å; F170-F411 HydrophobicContact CE1-CZ 4.33Å; N391-F411 CarbonylContact C-O 3.5Å; N391-F411 WeakPolarHBondContact CA-O 3.42Å; N391-F411 WeakPolarHBondContact CB-O 3.23Å; V392-F411 PolarHBondContact N-O 3.08Å; V392-F411 WeakPolarHBondContact O-CB 3.19Å; V392-F411 PolarHBondContact O-N 2.97Å; V394-F411 HydrophobicContact CG2-CB 3.81Å; V409-F411 HydrophobicContact CG1-CB 4.45Å; V409-F411 PolarHBondContact O-N 3.45Å; F411-V413 HydrophobicContact CD1-CG2 4.4Å
412P98.8Very high97.6Very high0 Ų026.8 Ų26.80%015%0.145CC..EExtended strand (participates in β ladder)trans-76.5129.4-179.733.1-36.4000111F69 V85 F347 V358 M361 N391 V410F69-P412 HydrophobicContact CB-CG 4.5Å; F69-P412 WeakPolarHBondContact CB-O 3.28Å; F69-P412 HydrophobicContact CD2-CB 3.6Å; F69-P412 HydrophobicContact CD2-CG 4.29Å; F69-P412 HydrophobicContact CE2-CB 3.94Å; F69-P412 HydrophobicContact CG-CB 4.15Å; F69-P412 HydrophobicContact CG-CG 4.35Å; V85-P412 HydrophobicContact CG2-CG 4.49Å; F347-P412 HydrophobicContact CE2-CB 4.3Å; F347-P412 HydrophobicContact CE2-CG 4.34Å; F347-P412 HydrophobicContact CZ-CB 4.13Å; F347-P412 HydrophobicContact CZ-CG 4.47Å; V358-P412 HydrophobicContact CG1-CG 3.94Å; M361-P412 HydrophobicContact CE-CB 4.39Å; M361-P412 HydrophobicContact CE-CG 3.85Å; M361-P412 HydrophobicContact SD-CB 4.23Å; M361-P412 HydrophobicContact SD-CG 3.96Å; N391-P412 VanDerWaalsContact OD1-CA 3.32Å; N391-P412 WeakPolarHBondContact OD1-CA 3.29Å; V410-P412 WeakPolarHBondContact O-CD 3.46Å
413V98.8Very high97.5Very high0 Ų027.6 Ų27.60%015%0.149CC..EExtended strand (participates in β ladder)trans-101.4-54.3-178.9177.30000110.6F69 T136 V137 I139 L203 I390 V392 F411F69-V413 PolarHBondContact N-O 3.1Å; T136-V413 HydrophobicContact CG2-CG1 4.36Å; V137-V413 HydrophobicContact CG1-CG2 3.86Å; I139-V413 HydrophobicContact CD1-CG1 4.35Å; I139-V413 HydrophobicContact CD1-CG2 4.3Å; L203-V413 HydrophobicContact CD1-CG1 4.18Å; I390-V413 PolarHBondContact O-N 2.88Å; V392-V413 HydrophobicContact CB-CG2 4.39Å; V392-V413 HydrophobicContact CG2-CG2 3.59Å; F411-V413 HydrophobicContact CD1-CG2 4.4Å
414M98.7Very high97.5Very high0 Ų032.4 Ų32.40%018%0.175CC..EExtended strand (participates in β ladder)trans-159.5160.8176.258.5161.8-110.300110.6F66 Y67 F68 L179 L203 F204 Q389 I390 L416F66-M414 HydrophobicContact CD1-CE 3.38Å; F66-M414 HydrophobicContact CD1-SD 4.09Å; F66-M414 HydrophobicContact CE1-CE 3.74Å; Y67-M414 CarbonylContact O-C 3.6Å; Y67-M414 WeakPolarHBondContact O-CA 3.46Å; Y67-M414 VanDerWaalsContact O-CB 3.26Å; Y67-M414 WeakPolarHBondContact O-CB 3.48Å; F68-M414 HydrophobicContact CD1-CB 3.79Å; F68-M414 HydrophobicContact CD1-CG 4.47Å; F68-M414 HydrophobicContact CE1-CB 4.02Å; F68-M414 HydrophobicContact CE1-CG 4.25Å; F68-M414 HydrophobicContact CE1-SD 3.87Å; F68-M414 HydrophobicContact CG-CB 4.16Å; F68-M414 HydrophobicContact CZ-SD 3.87Å; L179-M414 HydrophobicContact CD2-SD 3.9Å; L203-M414 HydrophobicContact CD1-CG 3.79Å; L203-M414 HydrophobicContact CD1-SD 3.41Å; L203-M414 WeakPolarHBondContact CD1-SD 3.3Å; F204-M414 HydrophobicContact CE2-CE 3.71Å; F204-M414 HydrophobicContact CZ-CE 4.38Å; Q389-M414 WeakPolarHBondContact CA-O 3.25Å; Q389-M414 WeakPolarHBondContact CG-O 3.47Å; I390-M414 HydrophobicContact CB-CG 4.41Å; I390-M414 HydrophobicContact CD1-CE 3.95Å; I390-M414 PolarHBondContact N-O 2.93Å; I390-M414 PolarHBondContact O-N 3.45Å; M414-L416 HydrophobicContact CE-CB 4.29Å; M414-L416 HydrophobicContact CE-CD2 4.3Å
415Y98.8Very high97.4Very high14 Ų1434.5 Ų34.56%0.05519%0.19CC..EExtended strand (participates in β ladder)trans-121.7159.5160.879.3-95.2000111.2Y67 F69 E87 P345 H346 L388Y67-Y415 VanDerWaalsContact CB-CZ 3.42Å; Y67-Y415 HydrophobicContact CD1-CE1 4.33Å; Y67-Y415 HydrophobicContact CD1-CE2 4.39Å; Y67-Y415 AromaticContact CD1-CZ 3.76Å; Y67-Y415 WeakPolarHBondContact CD1-OH 3.37Å; Y67-Y415 AromaticContact CD2-CD2 3.85Å; Y67-Y415 HydrophobicContact CD2-CD2 3.85Å; Y67-Y415 HydrophobicContact CD2-CE1 4.2Å; Y67-Y415 AromaticContact CD2-CE2 3.2Å; Y67-Y415 HydrophobicContact CD2-CE2 3.2Å; Y67-Y415 AromaticContact CD2-CZ 3.41Å; Y67-Y415 VanDerWaalsContact CD2-CZ 3.41Å; Y67-Y415 AromaticContact CE2-CE2 3.69Å; Y67-Y415 HydrophobicContact CE2-CE2 3.69Å; Y67-Y415 HydrophobicContact CG-CD1 4.41Å; Y67-Y415 HydrophobicContact CG-CD2 4.35Å; Y67-Y415 AromaticContact CG-CE1 3.74Å; Y67-Y415 HydrophobicContact CG-CE1 3.74Å; Y67-Y415 AromaticContact CG-CE2 3.62Å; Y67-Y415 HydrophobicContact CG-CE2 3.62Å; Y67-Y415 AromaticContact CG-CZ 3.26Å; Y67-Y415 VanDerWaalsContact CG-OH 3.23Å; Y67-Y415 PolarHBondContact N-O 3.15Å; Y67-Y415 PolarHBondContact O-N 3.12Å; F69-Y415 AromaticContact CE2-CD1 3.92Å; F69-Y415 HydrophobicContact CE2-CD1 3.92Å; F69-Y415 AromaticContact CZ-CD1 3.65Å; F69-Y415 HydrophobicContact CZ-CD1 3.65Å; F69-Y415 HydrophobicContact CZ-CE1 4.16Å; E87-Y415 HydrophobicContact CG-CE1 4.44Å; P345-Y415 HydrophobicContact CB-CD1 4.02Å; P345-Y415 HydrophobicContact CB-CD2 3.73Å; P345-Y415 HydrophobicContact CB-CE1 4.44Å; P345-Y415 HydrophobicContact CB-CE2 4.22Å; P345-Y415 HydrophobicContact CB-CG 3.63Å; P345-Y415 HydrophobicContact CG-CD2 3.63Å; P345-Y415 HydrophobicContact CG-CE2 4.31Å; P345-Y415 HydrophobicContact CG-CG 3.9Å; H346-Y415 AromaticContact NE2-CE1 3.65Å; L388-Y415 CarbonylContact O-C 3.6Å; L388-Y415 WeakPolarHBondContact O-CA 3.36Å; L388-Y415 WeakPolarHBondContact O-CB 3.43Å
416L98.1Very high97.2Very high8 Ų831.4 Ų31.44%0.04218%0.176CC..EExtended strand (participates in β ladder)trans-120.2150.3177.164.790.2000110.8M64 Q65 F66 F204 R387 L388 M414 E418M64-L416 HydrophobicContact CE-CB 4.45Å; M64-L416 HydrophobicContact CE-CD1 4.27Å; M64-L416 HydrophobicContact CE-CD2 3.81Å; M64-L416 HydrophobicContact CE-CG 4.4Å; Q65-L416 CarbonylContact O-C 3.5Å; Q65-L416 WeakPolarHBondContact O-CA 3.42Å; F66-L416 HydrophobicContact CD1-CB 3.95Å; F66-L416 HydrophobicContact CE1-CB 4.12Å; F204-L416 HydrophobicContact CZ-CD2 3.82Å; R387-L416 VanDerWaalsContact CA-O 3.26Å; R387-L416 WeakPolarHBondContact CA-O 3.38Å; L388-L416 HydrophobicContact CB-CD1 4.31Å; L388-L416 HydrophobicContact CB-CD2 4.5Å; L388-L416 HydrophobicContact CB-CG 4.23Å; L388-L416 PolarHBondContact N-O 2.97Å; L388-L416 PolarHBondContact O-N 3.09Å; M414-L416 HydrophobicContact CE-CB 4.29Å; M414-L416 HydrophobicContact CE-CD2 4.3Å; L416-E418 HydrophobicContact CD1-CB 4.3Å
417N98.4Very high97.1Very high16 Ų1631.2 Ų31.29%0.08618%0.175CC..EExtended strand (participates in β ladder)trans-124.9101167.1175.345.8000108Q65 Y67 R387Q65-N417 HydrophobicContact CB-CB 4.36Å; Q65-N417 PolarHBondContact N-O 2.88Å; Q65-N417 PolarHBondContact O-N 2.9Å; Q65-N417 PolarHBondContact OE1-ND2 3.24Å; Y67-N417 HydrophobicContact CE2-CB 4.23Å; R387-N417 HydrophobicContact CG-CB 4.25Å; R387-N417 WeakPolarHBondContact CG-OD1 3.35Å; R387-N417 PolarHBondContact NE-OD1 3.21Å
418E97.5Very high97Very high20 Ų2031.5 Ų31.59%0.09318%0.179CC..EExtended strand (participates in β ladder)trans-90112.1171.2-171.6-165.8153.200107.5I62 Y63 R97 A385 K386 L416I62-E418 HydrophobicContact CG2-CG 4.08Å; Y63-E418 WeakPolarHBondContact O-CA 3.12Å; R97-E418 IonicContact CZ-OE1 2.82Å; R97-E418 IonicContact NH1-OE1 3.33Å; R97-E418 PolarHBondContact NH1-OE1 2.66Å; A385-E418 WeakPolarHBondContact CA-O 3.4Å; K386-E418 HydrophobicContact CB-CB 4.3Å; K386-E418 WeakPolarHBondContact CD-OE2 3.1Å; K386-E418 PolarHBondContact N-O 2.8Å; K386-E418 IonicContact NZ-OE2 3.72Å; K386-E418 PolarHBondContact NZ-OE2 2.88Å; K386-E418 PolarHBondContact O-N 3.22Å; L416-E418 HydrophobicContact CD1-CB 4.3Å
419S97.3Very high96.8Very high29 Ų2932.2 Ų32.220%0.20318%0.176CC..EExtended strand (participates in β ladder)trans-132.8146.7-170.563.80000112.9Y63 A384Y63-S419 PolarHBondContact N-O 3.19Å; Y63-S419 PolarHBondContact O-N 3.45Å; A384-S419 VanDerWaalsContact O-CA 3.23Å; A384-S419 WeakPolarHBondContact O-CA 3.34Å; A384-S419 WeakPolarHBondContact O-CB 3.49Å
420V96.8Very high96.5Very high29 Ų2932.8 Ų32.818%0.17618%0.178CC..EExtended strand (participates in β ladder)trans-138.9143.4177.763.10000109A60 I62 V381 Q383 A384A60-V420 HydrophobicContact CB-CG2 3.62Å; I62-V420 HydrophobicContact CG1-CB 3.98Å; I62-V420 HydrophobicContact CG1-CG2 3.9Å; V381-V420 HydrophobicContact CG1-CG1 4.35Å; Q383-V420 VanDerWaalsContact CA-O 3.29Å; Q383-V420 WeakPolarHBondContact CA-O 3.48Å; A384-V420 HydrophobicContact CB-CG1 4Å; A384-V420 PolarHBondContact N-O 2.91Å; A384-V420 PolarHBondContact O-N 3.47Å
421L97.4Very high96.2Very high76 Ų7634.8 Ų34.840%0.39819%0.187SC..EExtended strand (participates in β ladder)trans-131.1130.4169.217765.5000107.5V289 Q383 D423V289-L421 HydrophobicContact CG1-CD1 3.6Å; Q383-L421 HydrophobicContact CB-CD1 4.12Å; Q383-L421 HydrophobicContact CG-CD1 4.3Å; L421-D423 PolarHBondContact O-N 2.92Å
422I95.8Very high95.9Very high9 Ų943.3 Ų43.35%0.04622%0.219CC..  trans-50.5133.6177.1-171.7170.2000111.3V289 K290 I292 L382 A427 L430V289-I422 HydrophobicContact CG1-CG2 4.31Å; K290-I422 HydrophobicContact CD-CG2 4.18Å; K290-I422 VanDerWaalsContact CE-O 3.26Å; K290-I422 WeakPolarHBondContact CE-O 3.42Å; K290-I422 PolarHBondContact NZ-O 2.78Å; I292-I422 HydrophobicContact CD1-CD1 4.44Å; L382-I422 HydrophobicContact CD2-CD1 3.98Å; L382-I422 WeakPolarHBondContact O-CB 3.14Å; L382-I422 WeakPolarHBondContact O-CG2 3.34Å; L382-I422 PolarHBondContact O-N 3.34Å; I422-A427 HydrophobicContact CD1-CB 4.43Å; I422-A427 HydrophobicContact CG1-CB 4.42Å; I422-A427 HydrophobicContact CG2-CB 4.27Å; I422-L430 HydrophobicContact CD1-CD1 3.59Å; I422-L430 HydrophobicContact CD1-CG 4.48Å
423D95.1Very high95.4Very high33 Ų3345.8 Ų45.818%0.17624%0.235CC..  trans-69.9162.6178.572.588.6000111.8L421 A425 S426 A427L421-D423 PolarHBondContact O-N 2.92Å; D423-A425 VanDerWaalsContact C-N 3.31Å; D423-A425 PolarHBondContact O-N 2.89Å; D423-A425 WeakPolarHBondContact OD1-CA 3.37Å; D423-A425 WeakPolarHBondContact OD1-CB 3.47Å; D423-A425 PolarHBondContact OD1-N 3.39Å; D423-S426 PolarHBondContact OD1-N 2.85Å; D423-S426 PolarHBondContact OD1-OG 2.99Å; D423-S426 WeakPolarHBondContact OD2-CB 3.43Å; D423-S426 PolarHBondContact OD2-OG 2.82Å; D423-A427 WeakPolarHBondContact O-CB 3.33Å; D423-A427 PolarHBondContact O-N 3.17Å
424D95.6Very high94.9Very high104 Ų10447.1 Ų47.156%0.55624%0.242SC*.Hα-helixtrans-66.7-30.6-174.8-67.9-23000113.6K290 K428K290-D424 WeakPolarHBondContact CE-OD1 3.26Å; K290-D424 IonicContact NZ-OD1 3.11Å; K290-D424 PolarHBondContact NZ-OD1 3.28Å; D424-K428 WeakPolarHBondContact O-CB 3.23Å; D424-K428 VanDerWaalsContact O-CG 3.24Å; D424-K428 WeakPolarHBondContact O-CG 3.36Å; D424-K428 PolarHBondContact O-N 2.81Å
425A94.3Very high94.4Very high70 Ų7051.3 Ų51.358%0.57927%0.267SS*.Hα-helixtrans-73.3-47.5-179.600000110.4D423 A427 K428 K429D423-A425 VanDerWaalsContact C-N 3.31Å; D423-A425 PolarHBondContact O-N 2.89Å; D423-A425 WeakPolarHBondContact OD1-CA 3.37Å; D423-A425 WeakPolarHBondContact OD1-CB 3.47Å; D423-A425 PolarHBondContact OD1-N 3.39Å; A425-A427 VanDerWaalsContact C-N 3.32Å; A425-A427 PolarHBondContact O-N 3.44Å; A425-K428 PolarHBondContact O-N 3.48Å; A425-K429 PolarHBondContact O-N 2.87Å; A425-K429 VanDerWaalsContact O-N 3.08Å
426S93.3Very high93.9Very high30 Ų3056.8 Ų56.821%0.2129%0.293CS..Hα-helixtrans-62.7-39.8174.2-59.10000111.5P59 D423 K429 L430P59-S426 WeakPolarHBondContact CG-OG 3.42Å; D423-S426 PolarHBondContact OD1-N 2.85Å; D423-S426 PolarHBondContact OD1-OG 2.99Å; D423-S426 WeakPolarHBondContact OD2-CB 3.43Å; D423-S426 PolarHBondContact OD2-OG 2.82Å; S426-K429 WeakPolarHBondContact O-CB 3.39Å; S426-K429 PolarHBondContact O-N 3.45Å; S426-L430 PolarHBondContact O-N 3.44Å
427A95.4Very high93.5Very high2 Ų258.5 Ų58.52%0.01730%0.3CS..Hα-helixtrans-61-49.7176.100000111.6K290 I292 I422 D423 A425 K429 L430 Q431K290-A427 HydrophobicContact CB-CB 4.1Å; K290-A427 HydrophobicContact CD-CB 3.91Å; I292-A427 HydrophobicContact CD1-CB 3.91Å; I422-A427 HydrophobicContact CD1-CB 4.43Å; I422-A427 HydrophobicContact CG1-CB 4.42Å; I422-A427 HydrophobicContact CG2-CB 4.27Å; D423-A427 WeakPolarHBondContact O-CB 3.33Å; D423-A427 PolarHBondContact O-N 3.17Å; A425-A427 VanDerWaalsContact C-N 3.32Å; A425-A427 PolarHBondContact O-N 3.44Å; A427-K429 PolarHBondContact O-N 2.91Å; A427-L430 PolarHBondContact O-N 2.97Å; A427-L430 VanDerWaalsContact O-N 3.16Å; A427-Q431 VanDerWaalsContact O-CG 3.29Å; A427-Q431 WeakPolarHBondContact O-CG 3.35Å; A427-Q431 PolarHBondContact O-N 3.42Å
428K95.1Very high93Very high127 Ų12761.2 Ų61.255%0.55232%0.315SS*.Hα-helixtrans-57.9-35.9175.7-76.2170.1-175172.80112.4D424 A425 R432D424-K428 WeakPolarHBondContact O-CB 3.23Å; D424-K428 VanDerWaalsContact O-CG 3.24Å; D424-K428 WeakPolarHBondContact O-CG 3.36Å; D424-K428 PolarHBondContact O-N 2.81Å; A425-K428 PolarHBondContact O-N 3.48Å; K428-R432 WeakPolarHBondContact O-CG 3.31Å; K428-R432 PolarHBondContact O-N 2.97Å; K428-R432 VanDerWaalsContact O-N 3.17Å
429K92Very high92.6Very high96 Ų9664.3 Ų64.342%0.41734%0.335SS..Hα-helixtrans-65.7-48.6176.2-168.4173.9-175.2-1800111.4E50 A425 S426 A427 Q431 R432 V433E50-K429 VanDerWaalsContact CD-CE 3.4Å; E50-K429 VanDerWaalsContact OE1-CD 3.29Å; E50-K429 WeakPolarHBondContact OE1-CD 3.34Å; E50-K429 WeakPolarHBondContact OE1-CE 3.28Å; E50-K429 IonicContact OE1-NZ 3.57Å; E50-K429 PolarHBondContact OE1-NZ 2.78Å; E50-K429 WeakPolarHBondContact OE2-CE 3.48Å; E50-K429 IonicContact OE2-NZ 2.75Å; E50-K429 PolarHBondContact OE2-NZ 3.06Å; A425-K429 PolarHBondContact O-N 2.87Å; A425-K429 VanDerWaalsContact O-N 3.08Å; S426-K429 WeakPolarHBondContact O-CB 3.39Å; S426-K429 PolarHBondContact O-N 3.45Å; A427-K429 PolarHBondContact O-N 2.91Å; K429-Q431 VanDerWaalsContact C-N 3.34Å; K429-Q431 PolarHBondContact O-N 3.45Å; K429-R432 WeakPolarHBondContact O-CB 3.29Å; K429-R432 PolarHBondContact O-N 3.35Å; K429-V433 PolarHBondContact O-N 2.76Å; K429-V433 VanDerWaalsContact O-N 3.13Å
430L92.1Very high92.2Very high17 Ų1764.8 Ų64.89%0.08934%0.336CS..Hα-helixtrans-65.4-35.1176.5-74.8-176.6000113.1I292 T378 I380 L382 I422 S426 A427 R432 V433 N434I292-L430 HydrophobicContact CD1-CB 3.82Å; I292-L430 HydrophobicContact CD1-CD1 4.41Å; I292-L430 HydrophobicContact CG1-CB 4.38Å; T378-L430 HydrophobicContact CG2-CD2 4.11Å; I380-L430 HydrophobicContact CD1-CD2 4.2Å; I380-L430 HydrophobicContact CG2-CD1 4.34Å; L382-L430 HydrophobicContact CD2-CD1 3.75Å; I422-L430 HydrophobicContact CD1-CD1 3.59Å; I422-L430 HydrophobicContact CD1-CG 4.48Å; S426-L430 PolarHBondContact O-N 3.44Å; A427-L430 PolarHBondContact O-N 2.97Å; A427-L430 VanDerWaalsContact O-N 3.16Å; L430-R432 VanDerWaalsContact C-N 3.33Å; L430-R432 PolarHBondContact O-N 2.87Å; L430-V433 WeakPolarHBondContact O-CB 3.33Å; L430-V433 PolarHBondContact O-N 3.35Å; L430-N434 WeakPolarHBondContact O-CB 3.33Å; L430-N434 PolarHBondContact O-N 2.91Å
431Q93.3Very high91.8Very high50 Ų5065.7 Ų65.723%0.23434%0.339CS..Hα-helixtrans-58.5-45172.2-73.5177.2-9.500111.2K290 E291 I292 A427 K429 V433 N434 V435K290-Q431 PolarHBondContact O-NE2 3.35Å; E291-Q431 PolarHBondContact OE2-NE2 3.42Å; I292-Q431 HydrophobicContact CD1-CG 4.35Å; I292-Q431 HydrophobicContact CG1-CG 3.75Å; A427-Q431 VanDerWaalsContact O-CG 3.29Å; A427-Q431 WeakPolarHBondContact O-CG 3.35Å; A427-Q431 PolarHBondContact O-N 3.42Å; K429-Q431 VanDerWaalsContact C-N 3.34Å; K429-Q431 PolarHBondContact O-N 3.45Å; Q431-V433 VanDerWaalsContact C-N 3.34Å; Q431-V433 PolarHBondContact O-N 3.23Å; Q431-N434 PolarHBondContact O-N 3.11Å; Q431-N434 VanDerWaalsContact O-N 3.16Å; Q431-V435 WeakPolarHBondContact O-CG2 3.43Å; Q431-V435 PolarHBondContact O-N 3.34Å
432R91.4Very high91.5Very high179 Ų17965.7 Ų65.768%0.67534%0.339SS*.Hα-helixtrans-61-42.7175.4-70.3175.2-171.6169.82.9111.9K428 K429 L430 N434 V435 Q436K428-R432 WeakPolarHBondContact O-CG 3.31Å; K428-R432 PolarHBondContact O-N 2.97Å; K428-R432 VanDerWaalsContact O-N 3.17Å; K429-R432 WeakPolarHBondContact O-CB 3.29Å; K429-R432 PolarHBondContact O-N 3.35Å; L430-R432 VanDerWaalsContact C-N 3.33Å; L430-R432 PolarHBondContact O-N 2.87Å; R432-N434 VanDerWaalsContact C-N 3.3Å; R432-N434 PolarHBondContact O-N 3.05Å; R432-V435 PolarHBondContact O-N 3.32Å; R432-Q436 WeakPolarHBondContact O-CB 3.44Å; R432-Q436 WeakPolarHBondContact O-CG 3.26Å; R432-Q436 PolarHBondContact O-N 3.35Å
433V88.3Confident91.3Very high53 Ų5367.9 Ų67.932%0.32135%0.35SS..Hα-helixtrans-60.5-42.3175174.50000110.6L377 K429 L430 Q431 Q436 K437L377-V433 HydrophobicContact CD2-CG1 4.3Å; K429-V433 PolarHBondContact O-N 2.76Å; K429-V433 VanDerWaalsContact O-N 3.13Å; L430-V433 WeakPolarHBondContact O-CB 3.33Å; L430-V433 PolarHBondContact O-N 3.35Å; Q431-V433 VanDerWaalsContact C-N 3.34Å; Q431-V433 PolarHBondContact O-N 3.23Å; V433-Q436 PolarHBondContact O-N 3.02Å; V433-K437 WeakPolarHBondContact O-CB 3.28Å; V433-K437 PolarHBondContact O-N 3.39Å
434N87.6Confident91.2Very high28 Ų2866.5 Ų66.515%0.1534%0.343CS..Hα-helixtrans-67.4-38.9178.4-166.162.4000112.6L430 Q431 R432 K437 N438L430-N434 WeakPolarHBondContact O-CB 3.33Å; L430-N434 PolarHBondContact O-N 2.91Å; Q431-N434 PolarHBondContact O-N 3.11Å; Q431-N434 VanDerWaalsContact O-N 3.16Å; R432-N434 VanDerWaalsContact C-N 3.3Å; R432-N434 PolarHBondContact O-N 3.05Å; N434-K437 WeakPolarHBondContact O-CB 3.22Å; N434-K437 PolarHBondContact O-N 2.65Å; N434-N438 WeakPolarHBondContact O-CB 3.3Å; N434-N438 PolarHBondContact O-N 2.93Å
435V89.3Confident91.1Very high88 Ų8866.8 Ų66.853%0.53334%0.34SS..Hα-helixtrans-64.4-46.7173.2171.70000110.6Q431 R432 K437 N438 V439Q431-V435 WeakPolarHBondContact O-CG2 3.43Å; Q431-V435 PolarHBondContact O-N 3.34Å; R432-V435 PolarHBondContact O-N 3.32Å; V435-K437 VanDerWaalsContact C-N 3.34Å; V435-K437 PolarHBondContact O-N 2.9Å; V435-N438 PolarHBondContact O-N 3.37Å; V435-V439 HydrophobicContact CG1-CG2 4.44Å; V435-V439 WeakPolarHBondContact O-CG2 3.47Å; V435-V439 PolarHBondContact O-N 2.98Å
436Q88.1Confident91Very high128 Ų12869.1 Ų69.160%0.59834%0.342SS*.Hα-helixtrans-59.2-45176-74.9178-5.500111.6R432 V433 V439 V440R432-Q436 WeakPolarHBondContact O-CB 3.44Å; R432-Q436 WeakPolarHBondContact O-CG 3.26Å; R432-Q436 PolarHBondContact O-N 3.35Å; V433-Q436 PolarHBondContact O-N 3.02Å; Q436-V439 PolarHBondContact O-N 3.15Å; Q436-V440 WeakPolarHBondContact O-CB 3.33Å; Q436-V440 WeakPolarHBondContact O-CG2 3.35Å; Q436-V440 PolarHBondContact O-N 3.47Å
437K88.6Confident91.1Very high45 Ų4569.3 Ų69.320%0.19634%0.342CS..Hα-helixtrans-52.9-55.8172167.7-176.1-179.1-1710110.6L35 L377 V433 N434 V435 V439 V440 E441L35-K437 HydrophobicContact CD2-CB 3.7Å; L35-K437 HydrophobicContact CD2-CD 4.12Å; L35-K437 HydrophobicContact CD2-CG 3.48Å; L35-K437 VanDerWaalsContact CD2-CG 3.48Å; L377-K437 HydrophobicContact CD2-CD 4.06Å; V433-K437 WeakPolarHBondContact O-CB 3.28Å; V433-K437 PolarHBondContact O-N 3.39Å; N434-K437 WeakPolarHBondContact O-CB 3.22Å; N434-K437 PolarHBondContact O-N 2.65Å; V435-K437 VanDerWaalsContact C-N 3.34Å; V435-K437 PolarHBondContact O-N 2.9Å; K437-V439 VanDerWaalsContact C-N 3.28Å; K437-V439 PolarHBondContact O-N 3.03Å; K437-V440 PolarHBondContact O-N 3.06Å; K437-E441 VanDerWaalsContact CE-CD 3.4Å; K437-E441 WeakPolarHBondContact CE-OE1 3.29Å; K437-E441 WeakPolarHBondContact CE-OE2 3.27Å; K437-E441 HydrophobicContact CG-CG 4.21Å; K437-E441 WeakPolarHBondContact O-CB 3.45Å; K437-E441 WeakPolarHBondContact O-CG 3.4Å; K437-E441 PolarHBondContact O-N 3.4Å
438N88.4Confident91.1Very high73 Ų7370.8 Ų70.839%0.3935%0.349SS..Hα-helixtrans-59.6-40.2-177-76.6-10.5000111.7N434 V435 N442N434-N438 WeakPolarHBondContact O-CB 3.3Å; N434-N438 PolarHBondContact O-N 2.93Å; V435-N438 PolarHBondContact O-N 3.37Å; N438-N442 VanDerWaalsContact O-CB 3.29Å; N438-N442 WeakPolarHBondContact O-CB 3.43Å; N438-N442 PolarHBondContact O-N 3.29Å; N438-N442 PolarHBondContact O-ND2 3.01Å
439V89.3Confident91.1Very high84 Ų8466.2 Ų66.251%0.50934%0.338SS..Hα-helixtrans-63.5-51.6175.6172.30000110.5V435 Q436 K437 N442 I443V435-V439 HydrophobicContact CG1-CG2 4.44Å; V435-V439 WeakPolarHBondContact O-CG2 3.47Å; V435-V439 PolarHBondContact O-N 2.98Å; Q436-V439 PolarHBondContact O-N 3.15Å; K437-V439 VanDerWaalsContact C-N 3.28Å; K437-V439 PolarHBondContact O-N 3.03Å; V439-N442 PolarHBondContact O-N 3.44Å; V439-I443 WeakPolarHBondContact O-CG1 3.39Å; V439-I443 PolarHBondContact O-N 3.48Å; V439-I443 VanDerWaalsContact O-N 3.14Å
440V88.9Confident91.2Very high40 Ų4066 Ų6624%0.24234%0.341CS..Hα-helixtrans-63.1-44.5-175.9170.80000111.9F31 Q436 K437 N442 I443F31-V440 HydrophobicContact CB-CG1 4.05Å; F31-V440 WeakPolarHBondContact CB-O 3.43Å; F31-V440 HydrophobicContact CD1-CG1 3.64Å; F31-V440 HydrophobicContact CG-CG1 4.22Å; F31-V440 WeakPolarHBondContact CG-O 3.35Å; Q436-V440 WeakPolarHBondContact O-CB 3.33Å; Q436-V440 WeakPolarHBondContact O-CG2 3.35Å; Q436-V440 PolarHBondContact O-N 3.47Å; K437-V440 PolarHBondContact O-N 3.06Å; V440-N442 PolarHBondContact O-N 2.88Å; V440-I443 PolarHBondContact O-N 3.45Å
441E88.8Confident91.4Very high47 Ų4765.2 Ų65.222%0.2234%0.337CS..Hα-helixtrans-66.5-26.3178-70.4-176.7164.700112.3P32 K437 P444P32-E441 HydrophobicContact CG-CG 4.15Å; K437-E441 VanDerWaalsContact CE-CD 3.4Å; K437-E441 WeakPolarHBondContact CE-OE1 3.29Å; K437-E441 WeakPolarHBondContact CE-OE2 3.27Å; K437-E441 HydrophobicContact CG-CG 4.21Å; K437-E441 WeakPolarHBondContact O-CB 3.45Å; K437-E441 WeakPolarHBondContact O-CG 3.4Å; K437-E441 PolarHBondContact O-N 3.4Å; E441-P444 WeakPolarHBondContact O-CD 3.24Å
442N90.9Very high91.5Very high76 Ų7667.4 Ų67.441%0.40635%0.349SS..Hα-helixtrans-93.8-2.5179.4-72.3-61.1000115.1N438 V439 V440 P444 F445 L446N438-N442 VanDerWaalsContact O-CB 3.29Å; N438-N442 WeakPolarHBondContact O-CB 3.43Å; N438-N442 PolarHBondContact O-N 3.29Å; N438-N442 PolarHBondContact O-ND2 3.01Å; V439-N442 PolarHBondContact O-N 3.44Å; V440-N442 PolarHBondContact O-N 2.88Å; N442-P444 VanDerWaalsContact C-CD 3.47Å; N442-P444 VanDerWaalsContact C-N 3.34Å; N442-F445 HydrophobicContact CB-CD2 4.48Å; N442-F445 PolarHBondContact O-N 3.5Å; N442-F445 VanDerWaalsContact O-N 3.1Å; N442-F445 WeakPolarHBondContact OD1-CD2 3.43Å; N442-L446 PolarHBondContact O-N 2.86Å; N442-L446 VanDerWaalsContact O-N 3.12Å
443I91.8Very high91.7Very high55 Ų5562.6 Ų62.628%0.28234%0.339SS..Hα-helixtrans-51.5-46174.6-68.2173.9000112.3F31 V439 V440 F445 L446 V447F31-I443 HydrophobicContact CD1-CD1 4.46Å; F31-I443 HydrophobicContact CD2-CB 4.46Å; F31-I443 HydrophobicContact CE1-CD1 3.92Å; F31-I443 HydrophobicContact CE2-CB 4.01Å; F31-I443 HydrophobicContact CE2-CG2 3.83Å; F31-I443 HydrophobicContact CZ-CB 4.06Å; F31-I443 HydrophobicContact CZ-CD1 4.12Å; F31-I443 HydrophobicContact CZ-CG2 3.72Å; V439-I443 WeakPolarHBondContact O-CG1 3.39Å; V439-I443 PolarHBondContact O-N 3.48Å; V439-I443 VanDerWaalsContact O-N 3.14Å; V440-I443 PolarHBondContact O-N 3.45Å; I443-F445 VanDerWaalsContact C-N 3.29Å; I443-F445 PolarHBondContact O-N 2.91Å; I443-L446 WeakPolarHBondContact O-CB 3.4Å; I443-L446 PolarHBondContact O-N 2.88Å; I443-L446 VanDerWaalsContact O-N 3.15Å; I443-V447 HydrophobicContact CG2-CG2 4.32Å; I443-V447 WeakPolarHBondContact O-CG2 3.23Å; I443-V447 PolarHBondContact O-N 3.29Å
444P93Very high92Very high4 Ų461.5 Ų61.53%0.02633%0.331CS..Hα-helixtrans-59-38.8178.9-26.537.3000113.3L25 V26 F31 E441 N442 V447 I448L25-P444 HydrophobicContact CB-CB 4Å; L25-P444 HydrophobicContact CB-CG 3.94Å; V26-P444 HydrophobicContact CG2-CB 3.5Å; V26-P444 HydrophobicContact CG2-CG 4.48Å; F31-P444 HydrophobicContact CD2-CG 3.5Å; F31-P444 VanDerWaalsContact CD2-CG 3.5Å; F31-P444 HydrophobicContact CE2-CG 3.87Å; E441-P444 WeakPolarHBondContact O-CD 3.24Å; N442-P444 VanDerWaalsContact C-CD 3.47Å; N442-P444 VanDerWaalsContact C-N 3.34Å; P444-V447 PolarHBondContact O-N 2.91Å; P444-I448 VanDerWaalsContact O-CG1 3.28Å; P444-I448 WeakPolarHBondContact O-CG1 3.19Å; P444-I448 PolarHBondContact O-N 3.34Å
445F93.4Very high92.2Very high111 Ų11160.9 Ų60.949%0.48733%0.332SS..Hα-helixtrans-69.5-34.5178-61.4-68.4000112.2V26 N442 I443 I448 G449V26-F445 HydrophobicContact CG1-CE1 4.37Å; V26-F445 HydrophobicContact CG1-CZ 4.26Å; V26-F445 HydrophobicContact CG2-CD1 4.31Å; V26-F445 HydrophobicContact CG2-CE1 3.92Å; V26-F445 HydrophobicContact CG2-CZ 4.09Å; N442-F445 HydrophobicContact CB-CD2 4.48Å; N442-F445 PolarHBondContact O-N 3.5Å; N442-F445 VanDerWaalsContact O-N 3.1Å; N442-F445 WeakPolarHBondContact OD1-CD2 3.43Å; I443-F445 VanDerWaalsContact C-N 3.29Å; I443-F445 PolarHBondContact O-N 2.91Å; F445-I448 HydrophobicContact CD1-CD1 4.45Å; F445-I448 PolarHBondContact O-N 2.88Å; F445-G449 PolarHBondContact O-N 3.25Å
446L92.8Very high92.4Very high118 Ų11860.5 Ų60.562%0.61833%0.329SS*.Hα-helixtrans-64.2-41.8171.7-64.6174.8000111.5N442 I443 G449 L450N442-L446 PolarHBondContact O-N 2.86Å; N442-L446 VanDerWaalsContact O-N 3.12Å; I443-L446 WeakPolarHBondContact O-CB 3.4Å; I443-L446 PolarHBondContact O-N 2.88Å; I443-L446 VanDerWaalsContact O-N 3.15Å; L446-G449 PolarHBondContact O-N 3.01Å; L446-L450 WeakPolarHBondContact O-CB 3.27Å; L446-L450 PolarHBondContact O-N 3.06Å
447V93.9Very high92.6Very high35 Ų3557.9 Ų57.921%0.21232%0.319CS..Hα-helixtrans-63.6-43.6175.6174.80000111.1M18 I443 P444 L450 G451M18-V447 HydrophobicContact CB-CG1 4.06Å; M18-V447 HydrophobicContact CG-CG1 4.29Å; M18-V447 HydrophobicContact SD-CG1 4.25Å; I443-V447 HydrophobicContact CG2-CG2 4.32Å; I443-V447 WeakPolarHBondContact O-CG2 3.23Å; I443-V447 PolarHBondContact O-N 3.29Å; P444-V447 PolarHBondContact O-N 2.91Å; V447-L450 PolarHBondContact O-N 2.9Å; V447-G451 PolarHBondContact O-N 3.47Å
448I95.3Very high92.7Very high32 Ų3257.8 Ų57.816%0.16432%0.319CS..Hα-helixtrans-60.8-48.9174.4-68.1167.6000110.3L19 I23 V26 P444 F445 L450 G451 I452L19-I448 HydrophobicContact CD2-CG2 4.08Å; I23-I448 HydrophobicContact CG1-CD1 4.2Å; I23-I448 HydrophobicContact CG1-CG1 4.5Å; V26-I448 HydrophobicContact CG2-CD1 3.97Å; P444-I448 VanDerWaalsContact O-CG1 3.28Å; P444-I448 WeakPolarHBondContact O-CG1 3.19Å; P444-I448 PolarHBondContact O-N 3.34Å; F445-I448 HydrophobicContact CD1-CD1 4.45Å; F445-I448 PolarHBondContact O-N 2.88Å; I448-L450 VanDerWaalsContact C-N 3.34Å; I448-L450 PolarHBondContact O-N 3.29Å; I448-G451 CarbonylContact O-C 3.5Å; I448-G451 WeakPolarHBondContact O-CA 3.46Å; I448-G451 PolarHBondContact O-N 2.9Å; I448-G451 VanDerWaalsContact O-N 3.08Å; I448-I452 HydrophobicContact CG2-CD1 3.98Å; I448-I452 HydrophobicContact CG2-CG1 4.41Å; I448-I452 WeakPolarHBondContact O-CG1 3.43Å; I448-I452 PolarHBondContact O-N 3.48Å
449G95.4Very high92.8Very high31 Ų3159.9 Ų59.932%0.3233%0.327SS..Hα-helixtrans-56.8-46.9179.100000112.1F445 L446 G451 I452 V453F445-G449 PolarHBondContact O-N 3.25Å; L446-G449 PolarHBondContact O-N 3.01Å; G449-G451 VanDerWaalsContact C-N 3.33Å; G449-G451 PolarHBondContact O-N 2.82Å; G449-I452 PolarHBondContact O-N 3.02Å; G449-V453 WeakPolarHBondContact O-CG2 3.49Å; G449-V453 PolarHBondContact O-N 3.41Å
450L95.3Very high92.7Very high93 Ų9360.9 Ų60.949%0.48733%0.329SS..Hα-helixtrans-62-41.2175.1-170.665.9000111.6M18 L446 V447 I448 I452 V453 L454M18-L450 HydrophobicContact CE-CB 4.19Å; M18-L450 HydrophobicContact CE-CD2 3.61Å; M18-L450 HydrophobicContact CE-CG 3.64Å; M18-L450 HydrophobicContact SD-CD2 3.92Å; M18-L450 HydrophobicContact SD-CG 4.39Å; L446-L450 WeakPolarHBondContact O-CB 3.27Å; L446-L450 PolarHBondContact O-N 3.06Å; V447-L450 PolarHBondContact O-N 2.9Å; I448-L450 VanDerWaalsContact C-N 3.34Å; I448-L450 PolarHBondContact O-N 3.29Å; L450-I452 PolarHBondContact O-N 3.38Å; L450-V453 PolarHBondContact O-N 3.09Å; L450-L454 WeakPolarHBondContact O-CG 3.24Å; L450-L454 PolarHBondContact O-N 2.82Å
451G95.8Very high92.6Very high0 Ų060.8 Ų60.80%033%0.327CS..Hα-helixtrans-57.2-44.3173.500000112.9S15 V447 I448 G449 G455S15-G451 PolarHBondContact OG-O 3.45Å; V447-G451 PolarHBondContact O-N 3.47Å; I448-G451 CarbonylContact O-C 3.5Å; I448-G451 WeakPolarHBondContact O-CA 3.46Å; I448-G451 PolarHBondContact O-N 2.9Å; I448-G451 VanDerWaalsContact O-N 3.08Å; G449-G451 VanDerWaalsContact C-N 3.33Å; G449-G451 PolarHBondContact O-N 2.82Å; G451-G455 PolarHBondContact O-N 3.22Å
452I95.8Very high92.4Very high95 Ų9561.4 Ų61.449%0.48733%0.331SS..Hα-helixtrans-63-48.2176.2-65.1170.3000110.6L19 I448 G449 L450 L454 G455 V456L19-I452 HydrophobicContact CD2-CG1 3.86Å; I448-I452 HydrophobicContact CG2-CD1 3.98Å; I448-I452 HydrophobicContact CG2-CG1 4.41Å; I448-I452 WeakPolarHBondContact O-CG1 3.43Å; I448-I452 PolarHBondContact O-N 3.48Å; G449-I452 PolarHBondContact O-N 3.02Å; L450-I452 PolarHBondContact O-N 3.38Å; I452-L454 VanDerWaalsContact C-N 3.35Å; I452-L454 PolarHBondContact O-N 2.68Å; I452-G455 WeakPolarHBondContact O-CA 3.31Å; I452-G455 PolarHBondContact O-N 2.86Å; I452-G455 VanDerWaalsContact O-N 3.07Å; I452-V456 HydrophobicContact CG2-CG2 4.4Å; I452-V456 WeakPolarHBondContact O-CG2 3.13Å; I452-V456 PolarHBondContact O-N 3.15Å
453V95.7Very high91.9Very high79 Ų7961.9 Ų61.948%0.47934%0.339SS..Hα-helixtrans-59.4-46.5179.9174.80000111.1G449 L450 G455 V456 I457G449-V453 WeakPolarHBondContact O-CG2 3.49Å; G449-V453 PolarHBondContact O-N 3.41Å; L450-V453 PolarHBondContact O-N 3.09Å; V453-G455 VanDerWaalsContact C-N 3.27Å; V453-G455 PolarHBondContact O-N 3.45Å; V453-V456 PolarHBondContact O-N 3.19Å; V453-I457 HydrophobicContact CG1-CD1 3.9Å; V453-I457 VanDerWaalsContact O-CG1 3.3Å; V453-I457 WeakPolarHBondContact O-CG1 3.38Å; V453-I457 PolarHBondContact O-N 2.74Å
454L94Very high91Very high29 Ų2969.8 Ų69.815%0.15237%0.365CS..Hα-helixtrans-61.8-36.7175.8-67-174.3000112.1L11 L14 M18 L450 I452 I457 F458L11-L454 HydrophobicContact CD1-CD2 3.9Å; L14-L454 HydrophobicContact CD2-CD1 3.92Å; L14-L454 HydrophobicContact CG-CD1 4.2Å; M18-L454 HydrophobicContact CE-CD1 3.26Å; M18-L454 HydrophobicContact CE-CG 4.28Å; L450-L454 WeakPolarHBondContact O-CG 3.24Å; L450-L454 PolarHBondContact O-N 2.82Å; I452-L454 VanDerWaalsContact C-N 3.35Å; I452-L454 PolarHBondContact O-N 2.68Å; L454-I457 PolarHBondContact O-N 3.5Å; L454-F458 WeakPolarHBondContact O-CB 3.5Å; L454-F458 PolarHBondContact O-N 3.3Å
455G92.9Very high89.6Confident16 Ų1675 Ų7517%0.16539%0.39CS..Hα-helixtrans-64.8-42.9175.900000112.6S15 G451 I452 V453 F458 M459S15-G455 VanDerWaalsContact OG-CA 3.24Å; S15-G455 WeakPolarHBondContact OG-CA 3.48Å; S15-G455 PolarHBondContact OG-N 2.83Å; G451-G455 PolarHBondContact O-N 3.22Å; I452-G455 WeakPolarHBondContact O-CA 3.31Å; I452-G455 PolarHBondContact O-N 2.86Å; I452-G455 VanDerWaalsContact O-N 3.07Å; V453-G455 VanDerWaalsContact C-N 3.27Å; V453-G455 PolarHBondContact O-N 3.45Å; G455-F458 WeakPolarHBondContact O-CB 3.41Å; G455-F458 PolarHBondContact O-N 3.45Å; G455-M459 WeakPolarHBondContact O-CG 3.28Å; G455-M459 PolarHBondContact O-N 2.99Å
456V93.1Very high87.7Confident79 Ų7978.5 Ų78.548%0.47941%0.405SS..Hα-helixtrans-63.8-44.5174.7173.50000110.8I452 V453 F458 M459 L460I452-V456 HydrophobicContact CG2-CG2 4.4Å; I452-V456 WeakPolarHBondContact O-CG2 3.13Å; I452-V456 PolarHBondContact O-N 3.15Å; V453-V456 PolarHBondContact O-N 3.19Å; V456-F458 VanDerWaalsContact C-N 3.32Å; V456-F458 PolarHBondContact O-N 2.82Å; V456-M459 PolarHBondContact O-N 2.98Å; V456-L460 HydrophobicContact CG1-CD1 4.09Å; V456-L460 HydrophobicContact CG1-CG 4.41Å; V456-L460 WeakPolarHBondContact O-CG 3.38Å; V456-L460 PolarHBondContact O-N 2.89Å
457I91.9Very high85.6Confident73 Ų7378.7 Ų78.737%0.37441%0.41SS..Hα-helixtrans-60.6-44176.2-65.9166.7000110.4L11 V453 L454 M459 L460 L461L11-I457 HydrophobicContact CD2-CB 4.27Å; L11-I457 HydrophobicContact CD2-CG2 3.74Å; V453-I457 HydrophobicContact CG1-CD1 3.9Å; V453-I457 VanDerWaalsContact O-CG1 3.3Å; V453-I457 WeakPolarHBondContact O-CG1 3.38Å; V453-I457 PolarHBondContact O-N 2.74Å; L454-I457 PolarHBondContact O-N 3.5Å; I457-M459 PolarHBondContact O-N 3Å; I457-L460 PolarHBondContact O-N 3.08Å; I457-L461 HydrophobicContact CG2-CD1 3.92Å; I457-L461 HydrophobicContact CG2-CG 4.31Å; I457-L461 WeakPolarHBondContact O-CB 3.31Å; I457-L461 VanDerWaalsContact O-CG 3.26Å; I457-L461 WeakPolarHBondContact O-CG 3.38Å; I457-L461 PolarHBondContact O-N 3.06Å
458F91.6Very high83.4Confident44 Ų4482.4 Ų82.419%0.19344%0.435CS..Hα-helixtrans-57.9-47.8175172-105.6000111.8K8 L11 L454 G455 V456 L460 L461 M462K8-F458 HydrophobicContact CB-CE2 4.47Å; K8-F458 WeakPolarHBondContact O-CD2 3.27Å; K8-F458 VanDerWaalsContact O-CE2 3.24Å; K8-F458 WeakPolarHBondContact O-CE2 3.33Å; L11-F458 HydrophobicContact CD2-CB 4.33Å; L454-F458 WeakPolarHBondContact O-CB 3.5Å; L454-F458 PolarHBondContact O-N 3.3Å; G455-F458 WeakPolarHBondContact O-CB 3.41Å; G455-F458 PolarHBondContact O-N 3.45Å; V456-F458 VanDerWaalsContact C-N 3.32Å; V456-F458 PolarHBondContact O-N 2.82Å; F458-L460 PolarHBondContact O-N 3.1Å; F458-L461 PolarHBondContact O-N 2.98Å; F458-M462 HydrophobicContact CD2-CG 4.27Å; F458-M462 HydrophobicContact CE1-CG 4.19Å; F458-M462 HydrophobicContact CE2-CG 3.84Å; F458-M462 HydrophobicContact CE2-SD 4.19Å; F458-M462 HydrophobicContact CZ-CG 3.8Å; F458-M462 HydrophobicContact CZ-SD 4.3Å; F458-M462 WeakPolarHBondContact O-CG 3.46Å; F458-M462 PolarHBondContact O-N 3.01Å
459M88.6Confident81.1Confident116 Ų11689.7 Ų89.757%0.57147%0.468SS*.Hα-helixtrans-59.8-44.9176.8-72.3-65.5-73.500112.1G455 V456 I457 L461 M462 C463G455-M459 WeakPolarHBondContact O-CG 3.28Å; G455-M459 PolarHBondContact O-N 2.99Å; V456-M459 PolarHBondContact O-N 2.98Å; I457-M459 PolarHBondContact O-N 3Å; M459-L461 PolarHBondContact O-N 2.9Å; M459-M462 PolarHBondContact O-N 3.25Å; M459-C463 WeakPolarHBondContact O-CB 3.31Å; M459-C463 PolarHBondContact O-N 2.83Å; M459-C463 PolarHBondContact O-SG 2.86Å; M459-C463 VanDerWaalsContact O-SG 3.36Å
460L88.6Confident78.8Confident105 Ų10591 Ų9155%0.5547%0.473SS..Hα-helixtrans-62.4-40.5176.7-70.2172.6000112.4V456 I457 F458 M462 C463 R464V456-L460 HydrophobicContact CG1-CD1 4.09Å; V456-L460 HydrophobicContact CG1-CG 4.41Å; V456-L460 WeakPolarHBondContact O-CG 3.38Å; V456-L460 PolarHBondContact O-N 2.89Å; I457-L460 PolarHBondContact O-N 3.08Å; F458-L460 PolarHBondContact O-N 3.1Å; L460-M462 VanDerWaalsContact C-N 3.29Å; L460-M462 PolarHBondContact O-N 3.28Å; L460-C463 PolarHBondContact O-N 3.24Å; L460-R464 WeakPolarHBondContact O-CG 3.2Å; L460-R464 PolarHBondContact O-N 2.82Å; L460-R464 VanDerWaalsContact O-N 3.07Å
461L86.4Confident76.9Confident38 Ų3891.6 Ų91.620%0.19948%0.481CS..Hα-helixtrans-68.4-26.7177-71.8174.3000113.3K8 L11 I457 F458 M459K8-L461 HydrophobicContact CD-CB 4.35Å; K8-L461 PolarHBondContact NZ-O 3.24Å; L11-L461 HydrophobicContact CD2-CD1 4.04Å; I457-L461 HydrophobicContact CG2-CD1 3.92Å; I457-L461 HydrophobicContact CG2-CG 4.31Å; I457-L461 WeakPolarHBondContact O-CB 3.31Å; I457-L461 VanDerWaalsContact O-CG 3.26Å; I457-L461 WeakPolarHBondContact O-CG 3.38Å; I457-L461 PolarHBondContact O-N 3.06Å; F458-L461 PolarHBondContact O-N 2.98Å; M459-L461 PolarHBondContact O-N 2.9Å
462M83.9Confident74.9Confident61 Ų61100 Ų10030%0.352%0.52SS..Hα-helixtrans-81.6-42.1174-71.3-63.3-67.300111.7F458 M459 L460 R464 Q465F458-M462 HydrophobicContact CD2-CG 4.27Å; F458-M462 HydrophobicContact CE1-CG 4.19Å; F458-M462 HydrophobicContact CE2-CG 3.84Å; F458-M462 HydrophobicContact CE2-SD 4.19Å; F458-M462 HydrophobicContact CZ-CG 3.8Å; F458-M462 HydrophobicContact CZ-SD 4.3Å; F458-M462 WeakPolarHBondContact O-CG 3.46Å; F458-M462 PolarHBondContact O-N 3.01Å; M459-M462 PolarHBondContact O-N 3.25Å; L460-M462 VanDerWaalsContact C-N 3.29Å; L460-M462 PolarHBondContact O-N 3.28Å; M462-R464 PolarHBondContact O-N 3.12Å; M462-Q465 VanDerWaalsContact O-CB 3.32Å; M462-Q465 WeakPolarHBondContact O-CB 3.41Å; M462-Q465 PolarHBondContact O-N 3.25Å; M462-Q465 VanDerWaalsContact O-N 3.1Å
463C80.7Confident72.9Confident85 Ų8599.6 Ų99.657%0.57453%0.53SS*.Hα-helixtrans-62.7-38.4176.6-74.10000112.6M459 L460 Q465 K466M459-C463 WeakPolarHBondContact O-CB 3.31Å; M459-C463 PolarHBondContact O-N 2.83Å; M459-C463 PolarHBondContact O-SG 2.86Å; M459-C463 VanDerWaalsContact O-SG 3.36Å; L460-C463 PolarHBondContact O-N 3.24Å; C463-Q465 PolarHBondContact O-N 2.85Å; C463-Q465 VanDerWaalsContact O-N 3.11Å; C463-K466 PolarHBondContact O-N 3.08Å
464R74.1Confident70.9Confident222 Ų222103.3 Ų103.384%0.83854%0.543SS*.THydrogen-bonded Turntrans-64.5-10.5174.5-78.6-175.8164.5175-2.9114.6L460 M462L460-R464 WeakPolarHBondContact O-CG 3.2Å; L460-R464 PolarHBondContact O-N 2.82Å; L460-R464 VanDerWaalsContact O-N 3.07Å; M462-R464 PolarHBondContact O-N 3.12Å
465Q63.2Low69Low114 Ų114111.2 Ų111.253%0.53357%0.571SS.*THydrogen-bonded Turntrans-91.2-12.9178.4-130.6171.8-24.300113K8 M462 C463 V467K8-Q465 VanDerWaalsContact NZ-CD 3.29Å; M462-Q465 VanDerWaalsContact O-CB 3.32Å; M462-Q465 WeakPolarHBondContact O-CB 3.41Å; M462-Q465 PolarHBondContact O-N 3.25Å; M462-Q465 VanDerWaalsContact O-N 3.1Å; C463-Q465 PolarHBondContact O-N 2.85Å; C463-Q465 VanDerWaalsContact O-N 3.11Å; Q465-V467 VanDerWaalsContact C-N 3.35Å; Q465-V467 PolarHBondContact O-N 3.23Å
466K53.3Low67.1Low184 Ų184118.5 Ų118.580%0.860%0.6SS**  trans-92.238.6-177.7-85.8-169.9173.6-175.60114C463C463-K466 PolarHBondContact O-N 3.08Å
467V49Very low65.3Low121 Ų121120.1 Ų120.173%0.73361%0.612SS**  trans-113.591.5159.3-174.50000107.1Q465 E469Q465-V467 VanDerWaalsContact C-N 3.35Å; Q465-V467 PolarHBondContact O-N 3.23Å; V467-E469 PolarHBondContact O-N 3.43Å
468P46.1Very low63.8Low114 Ų114125 Ų12574%0.7464%0.638SS**  trans-67.1118.1158.723.9-19.3000106.8S470P468-S470 PolarHBondContact O-N 2.79Å; P468-S470 VanDerWaalsContact O-N 3.1Å
469E49Very low61.8Low184 Ų184130.2 Ų130.286%0.8667%0.666SS**  trans-58.3113.8155.8-85179.2153.200106.1V467 T471V467-E469 PolarHBondContact O-N 3.43Å; E469-T471 PolarHBondContact O-N 2.89Å; E469-T471 VanDerWaalsContact O-N 3.11Å
470S46.6Very low59.8Low60 Ų60130.2 Ų130.242%0.4268%0.678SS.*  trans-51.4118.6170.257.40000108.2P468P468-S470 PolarHBondContact O-N 2.79Å; P468-S470 VanDerWaalsContact O-N 3.1Å
471T54.9Low57.6Low105 Ų105134 Ų13464%0.64471%0.713SS**  trans-55.5138.1172.64.20000109.9E469 A473 E474E469-T471 PolarHBondContact O-N 2.89Å; E469-T471 VanDerWaalsContact O-N 3.11Å; T471-A473 PolarHBondContact O-N 2.96Å; T471-E474 PolarHBondContact O-N 3.08Å
472E53.6Low56.2Low176 Ų176138.8 Ų138.882%0.82274%0.739SS**G310 helixtrans-50.7-21.7179-80.6-179.3142.600114E474 R475E472-E474 VanDerWaalsContact C-N 3.26Å; E472-E474 PolarHBondContact O-N 3.32Å; E472-R475 PolarHBondContact O-N 3.37Å; E472-R475 VanDerWaalsContact O-N 3.16Å
473A53.6Low54.7Low86 Ų86142.9 Ų142.971%0.71176%0.762SS**G310 helixtrans-63.6-20.9176.800000115.1T471T471-A473 PolarHBondContact O-N 2.96Å
474E53.3Low53.3Low158 Ų158146.1 Ų146.174%0.73877%0.772SS**G310 helixtrans-85.8-2.4175.3-85.4-179.115500113.7T471 E472T471-E474 PolarHBondContact O-N 3.08Å; E472-E474 VanDerWaalsContact C-N 3.26Å; E472-E474 PolarHBondContact O-N 3.32Å
475R54Low52.1Low195 Ų195141.6 Ų141.674%0.73677%0.769SS**G310 helixtrans-10017.3-179.8-66.4-168.9-165.7-163.75.8115E472E472-R475 PolarHBondContact O-N 3.37Å; E472-R475 VanDerWaalsContact O-N 3.16Å
476Q53.9Low51.4Low169 Ų169143.4 Ų143.479%0.7978%0.783SS**  trans-92123.8172.2-83.6-171.1-2300111.4L478Q476-L478 PolarHBondContact O-N 2.7Å
477P55.2Low51.2Low112 Ų112140.7 Ų140.773%0.72778%0.782SS**  trans-72.7121.3171.428.8-29.3000109.4I479P477-I479 PolarHBondContact O-N 3.14Å; P477-I479 VanDerWaalsContact O-N 3.09Å
478L59.8Low51.4Low177 Ų177142.1 Ų142.193%0.92779%0.786SS**  trans-70.695.4165.3-82.8159.4000108.7Q476Q476-L478 PolarHBondContact O-N 2.7Å
479I49.6Very low51.8Low152 Ų152144.2 Ų144.278%0.77979%0.789SS**  trans-131.299.9161.5-53.7179.8000108.1P477P477-I479 PolarHBondContact O-N 3.14Å; P477-I479 VanDerWaalsContact O-N 3.09Å
480S47.2Very low52Low117 Ų117140.9 Ų140.982%0.81878%0.783SS**  trans-127.895154.7670000108.3
481S42.7Very low52.5Low184 Ų184148.3 Ų148.3100%1.28782%0.816SS**  trans-168.40135.470.90000108.8

Retrieved 481 of 481 residues in 126.8 ms (Link to these results)

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