A0A096N3J6_PAPAN Loading...

Serine/threonine-protein phosphatase

AlphaFold DB (A0A671DWT6), UniProt , Accession A0A096N3J6, Species PAPAN (Papio anubis, Olive baboon), Gene PPP2CB, Length 309 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
1M53.7Low86.2Confident189 Ų18990.7 Ų90.793%0.93146%0.461SS*.  0132.10-140.4175.4-80.500105.4D3M1-D3 PolarHBondContact O-N 2.85Å
2D74.3Confident87.2Confident114 Ų11491.9 Ų91.961%0.6146%0.463SS*.  trans-61.3131.4178.6-174.7-0.2000109.1K4 A5 F6D2-K4 PolarHBondContact O-N 3.07Å; D2-K4 VanDerWaalsContact O-N 3.07Å; D2-A5 HydrophobicContact CB-CB 4.42Å; D2-A5 WeakPolarHBondContact O-CB 3.37Å; D2-A5 PolarHBondContact O-N 2.94Å; D2-F6 PolarHBondContact O-N 2.96Å
3D78.3Confident88.1Confident134 Ų13485.4 Ų85.472%0.71743%0.43SS*.Hα-helixtrans-55.1-31.3-174.5-78.2-17000112M1 T7M1-D3 PolarHBondContact O-N 2.85Å; D3-T7 WeakPolarHBondContact O-CB 3.29Å; D3-T7 PolarHBondContact O-N 3.22Å; D3-T7 PolarHBondContact O-OG1 3.25Å
4K82.3Confident88.8Confident166 Ų16680.6 Ų80.672%0.72241%0.407SS*.Hα-helixtrans-67.2-35.4175.2-70.7-176.7178178.30113.3D2 K8D2-K4 PolarHBondContact O-N 3.07Å; D2-K4 VanDerWaalsContact O-N 3.07Å; K4-K8 PolarHBondContact O-N 3.04Å
5A88.6Confident89.4Confident53 Ų5383.9 Ų83.944%0.43842%0.42SS..Hα-helixtrans-70.9-43.5179.700000110.9D2 K8 E9D2-A5 HydrophobicContact CB-CB 4.42Å; D2-A5 WeakPolarHBondContact O-CB 3.37Å; D2-A5 PolarHBondContact O-N 2.94Å; A5-K8 PolarHBondContact O-N 2.97Å; A5-E9 PolarHBondContact O-N 3.09Å; A5-E9 VanDerWaalsContact O-N 3.09Å
6F91.7Very high90Very high35 Ų3582.5 Ų82.515%0.15441%0.412CS..Hα-helixtrans-65.8-39.9176.7-178.1-110.5000112D2 K8 E9 L10 W13 T30 K34 V105D2-F6 PolarHBondContact O-N 2.96Å; F6-K8 VanDerWaalsContact C-N 3.34Å; F6-K8 PolarHBondContact O-N 3.48Å; F6-E9 PolarHBondContact O-N 3.24Å; F6-L10 HydrophobicContact CE1-CD2 4.32Å; F6-L10 WeakPolarHBondContact O-CB 3.47Å; F6-L10 PolarHBondContact O-N 3.31Å; F6-W13 HydrophobicContact CE2-CH2 4.37Å; F6-T30 HydrophobicContact CE2-CG2 4.35Å; F6-K34 HydrophobicContact CE1-CD 4.31Å; F6-K34 HydrophobicContact CE1-CG 4.15Å; F6-K34 HydrophobicContact CZ-CB 4.42Å; F6-K34 HydrophobicContact CZ-CD 4.36Å; F6-K34 HydrophobicContact CZ-CG 3.77Å; F6-V105 HydrophobicContact CE1-CG1 4.21Å; F6-V105 HydrophobicContact CZ-CG1 4.47Å
7T92.9Very high90.5Very high51 Ų5177.6 Ų77.631%0.31339%0.388SS..Hα-helixtrans-58.1-46.1175.7-57.50000111.6D3 E9 L10 D11D3-T7 WeakPolarHBondContact O-CB 3.29Å; D3-T7 PolarHBondContact O-N 3.22Å; D3-T7 PolarHBondContact O-OG1 3.25Å; T7-E9 PolarHBondContact O-N 2.7Å; T7-L10 PolarHBondContact O-N 3.41Å; T7-D11 PolarHBondContact O-N 3.38Å
8K94.9Very high90.9Very high137 Ų13777.6 Ų77.660%0.59639%0.389SS*.Hα-helixtrans-64.2-39.1178.2-176.4-179.3178-177.40112.5K4 A5 F6 L10 Q12K4-K8 PolarHBondContact O-N 3.04Å; A5-K8 PolarHBondContact O-N 2.97Å; F6-K8 VanDerWaalsContact C-N 3.34Å; F6-K8 PolarHBondContact O-N 3.48Å; K8-L10 VanDerWaalsContact C-N 3.34Å; K8-Q12 WeakPolarHBondContact O-CG 3.45Å; K8-Q12 PolarHBondContact O-N 3.43Å
9E96.3Very high91.2Very high67 Ų6780 Ų8031%0.31340%0.399SS..Hα-helixtrans-64.1-41.6175.1178172.5-148.400111.2A5 F6 T7 Q12 W13A5-E9 PolarHBondContact O-N 3.09Å; A5-E9 VanDerWaalsContact O-N 3.09Å; F6-E9 PolarHBondContact O-N 3.24Å; T7-E9 PolarHBondContact O-N 2.7Å; E9-Q12 WeakPolarHBondContact O-CB 3.48Å; E9-Q12 PolarHBondContact O-N 3.19Å; E9-W13 HydrophobicContact CG-CZ2 3.77Å; E9-W13 VanDerWaalsContact CG-NE1 3.34Å; E9-W13 PolarHBondContact O-N 3.3Å
10L97.1Very high91.6Very high3 Ų377.4 Ų77.42%0.01639%0.388CS..Hα-helixtrans-66.5-37.1178.1-169.659.9000112.5F6 T7 K8 Q12 W13 V14 L31 A102 V105 R106F6-L10 HydrophobicContact CE1-CD2 4.32Å; F6-L10 WeakPolarHBondContact O-CB 3.47Å; F6-L10 PolarHBondContact O-N 3.31Å; T7-L10 PolarHBondContact O-N 3.41Å; K8-L10 VanDerWaalsContact C-N 3.34Å; L10-Q12 VanDerWaalsContact C-N 3.29Å; L10-Q12 PolarHBondContact O-N 3.49Å; L10-W13 HydrophobicContact CD1-CD2 4.46Å; L10-W13 HydrophobicContact CD1-CE3 3.7Å; L10-W13 HydrophobicContact CD1-CZ3 4.26Å; L10-W13 WeakPolarHBondContact O-CB 3.37Å; L10-W13 PolarHBondContact O-N 2.95Å; L10-V14 WeakPolarHBondContact O-CG2 3.33Å; L10-V14 PolarHBondContact O-N 2.97Å; L10-L31 HydrophobicContact CD1-CD1 4.07Å; L10-A102 HydrophobicContact CD1-CB 4.35Å; L10-V105 HydrophobicContact CD2-CB 4.05Å; L10-V105 HydrophobicContact CD2-CG1 3.64Å; L10-R106 HydrophobicContact CD2-CB 3.57Å; L10-R106 HydrophobicContact CD2-CG 4.25Å; L10-R106 HydrophobicContact CG-CB 4Å; L10-R106 HydrophobicContact CG-CG 4.47Å
11D97.9Very high91.9Very high49 Ų4979 Ų7926%0.26239%0.393SS..Hα-helixtrans-58.2-42.6171.9-71.2-30.6000111T7 W13 V14 E15 R106T7-D11 PolarHBondContact O-N 3.38Å; D11-W13 PolarHBondContact O-N 3.35Å; D11-V14 PolarHBondContact O-N 2.75Å; D11-E15 WeakPolarHBondContact O-CG 3.42Å; D11-E15 PolarHBondContact O-N 3.27Å; D11-R106 IonicContact OD1-CZ 3.44Å; D11-R106 IonicContact OD1-NE 2.7Å; D11-R106 PolarHBondContact OD1-NE 2.94Å; D11-R106 IonicContact OD1-NH2 3.31Å; D11-R106 PolarHBondContact OD1-NH2 2.83Å; D11-R106 IonicContact OD2-NE 3.87Å; D11-R106 IonicContact OD2-NH2 3.7Å
12Q98.3Very high94Very high105 Ų10572.8 Ų72.849%0.49136%0.362SS..Hα-helixtrans-66.6-36.4176.3-67.1173.8-13.100112.6K8 E9 L10 V14 E15 Q16K8-Q12 WeakPolarHBondContact O-CG 3.45Å; K8-Q12 PolarHBondContact O-N 3.43Å; E9-Q12 WeakPolarHBondContact O-CB 3.48Å; E9-Q12 PolarHBondContact O-N 3.19Å; L10-Q12 VanDerWaalsContact C-N 3.29Å; L10-Q12 PolarHBondContact O-N 3.49Å; Q12-V14 VanDerWaalsContact C-N 3.35Å; Q12-E15 PolarHBondContact O-N 3.05Å; Q12-Q16 WeakPolarHBondContact O-CB 3.41Å; Q12-Q16 PolarHBondContact O-N 2.8Å
13W98.6Very high95.2Very high7 Ų767.4 Ų67.43%0.02733%0.333CS..Hα-helixtrans-64.3-42.2174.7-66.84.3000111.1F6 E9 L10 D11 Q16 L17 L23 Q27 T30 L31F6-W13 HydrophobicContact CE2-CH2 4.37Å; E9-W13 HydrophobicContact CG-CZ2 3.77Å; E9-W13 VanDerWaalsContact CG-NE1 3.34Å; E9-W13 PolarHBondContact O-N 3.3Å; L10-W13 HydrophobicContact CD1-CD2 4.46Å; L10-W13 HydrophobicContact CD1-CE3 3.7Å; L10-W13 HydrophobicContact CD1-CZ3 4.26Å; L10-W13 WeakPolarHBondContact O-CB 3.37Å; L10-W13 PolarHBondContact O-N 2.95Å; D11-W13 PolarHBondContact O-N 3.35Å; W13-Q16 PolarHBondContact O-N 3.38Å; W13-L17 WeakPolarHBondContact O-CB 3.46Å; W13-L17 WeakPolarHBondContact O-CD1 3.44Å; W13-L17 WeakPolarHBondContact O-CG 3.45Å; W13-L17 PolarHBondContact O-N 3.21Å; W13-L23 HydrophobicContact CB-CD1 4.13Å; W13-L23 HydrophobicContact CB-CD2 3.83Å; W13-L23 HydrophobicContact CD2-CD1 3.96Å; W13-L23 HydrophobicContact CD2-CD2 4.46Å; W13-L23 HydrophobicContact CE3-CD1 3.82Å; W13-L23 HydrophobicContact CG-CD1 4.11Å; W13-L23 HydrophobicContact CG-CD2 3.88Å; W13-Q27 HydrophobicContact CH2-CB 4.22Å; W13-Q27 HydrophobicContact CH2-CG 4.38Å; W13-Q27 HydrophobicContact CZ2-CB 4Å; W13-Q27 HydrophobicContact CZ2-CG 3.7Å; W13-Q27 VanDerWaalsContact NE1-NE2 3.12Å; W13-T30 HydrophobicContact CH2-CG2 4.17Å; W13-L31 HydrophobicContact CZ3-CB 3.98Å; W13-L31 HydrophobicContact CZ3-CD1 4.47Å
14V98.5Very high96.2Very high19 Ų1964.9 Ų64.912%0.11532%0.319CS..Hα-helixtrans-63-43.9175.11720000110.8L10 D11 Q12 L17 N18 L99 A102 L103L10-V14 WeakPolarHBondContact O-CG2 3.33Å; L10-V14 PolarHBondContact O-N 2.97Å; D11-V14 PolarHBondContact O-N 2.75Å; Q12-V14 VanDerWaalsContact C-N 3.35Å; V14-L17 PolarHBondContact O-N 2.87Å; V14-N18 WeakPolarHBondContact CG1-ND2 3.44Å; V14-N18 PolarHBondContact O-N 3.22Å; V14-N18 PolarHBondContact O-ND2 3.42Å; V14-L99 HydrophobicContact CG1-CD1 4.26Å; V14-A102 HydrophobicContact CG2-CB 3.92Å; V14-L103 HydrophobicContact CG1-CD2 4.13Å; V14-L103 HydrophobicContact CG2-CD2 4.44Å
15E98.3Very high96.9Very high129 Ų12959.2 Ų59.260%0.60330%0.296SS*.Hα-helixtrans-58.5-48174.3-73.9175.5-179.500112D11 Q12 L17 N18 E19D11-E15 WeakPolarHBondContact O-CG 3.42Å; D11-E15 PolarHBondContact O-N 3.27Å; Q12-E15 PolarHBondContact O-N 3.05Å; E15-L17 VanDerWaalsContact C-N 3.34Å; E15-L17 PolarHBondContact O-N 3.16Å; E15-N18 PolarHBondContact O-N 3.48Å; E15-E19 PolarHBondContact O-N 2.91Å
16Q98.5Very high97.4Very high62 Ų6261.8 Ų61.829%0.2930%0.302SS..Hα-helixtrans-58.8-44.3176.4176.3-179.6-37.900112Q12 W13 E19 K21 Q22Q12-Q16 WeakPolarHBondContact O-CB 3.41Å; Q12-Q16 PolarHBondContact O-N 2.8Å; W13-Q16 PolarHBondContact O-N 3.38Å; Q16-E19 WeakPolarHBondContact O-CB 3.43Å; Q16-E19 PolarHBondContact O-N 3.4Å; Q16-E19 VanDerWaalsContact O-N 3.16Å; Q16-K21 HydrophobicContact CG-CB 3.77Å; Q16-K21 PolarHBondContact O-N 3.29Å; Q16-Q22 PolarHBondContact NE2-O 3.1Å
17L98.5Very high97.8Very high0 Ų061.7 Ų61.70%030%0.302CS..Hα-helixtrans-66.9-36.6-179.8-73.9161.8000111.9W13 V14 E15 E19 C20 L23 F62 T98 L99 A102W13-L17 WeakPolarHBondContact O-CB 3.46Å; W13-L17 WeakPolarHBondContact O-CD1 3.44Å; W13-L17 WeakPolarHBondContact O-CG 3.45Å; W13-L17 PolarHBondContact O-N 3.21Å; V14-L17 PolarHBondContact O-N 2.87Å; E15-L17 VanDerWaalsContact C-N 3.34Å; E15-L17 PolarHBondContact O-N 3.16Å; L17-E19 PolarHBondContact O-N 2.95Å; L17-C20 WeakPolarHBondContact O-CA 3.3Å; L17-C20 PolarHBondContact O-N 2.92Å; L17-L23 HydrophobicContact CD1-CD1 4.18Å; L17-L23 HydrophobicContact CD1-CD2 4.37Å; L17-L23 HydrophobicContact CD1-CG 4.15Å; L17-L23 HydrophobicContact CD2-CG 4.22Å; L17-L23 HydrophobicContact CG-CD2 4.24Å; L17-L23 HydrophobicContact CG-CG 4.24Å; L17-F62 WeakPolarHBondContact O-CZ 3.39Å; L17-T98 HydrophobicContact CD1-CG2 3.76Å; L17-T98 HydrophobicContact CD2-CG2 3.75Å; L17-T98 HydrophobicContact CG-CG2 4.39Å; L17-L99 HydrophobicContact CB-CB 4.23Å; L17-L99 HydrophobicContact CB-CD1 3.9Å; L17-A102 HydrophobicContact CD1-CB 3.91Å
18N97.6Very high98.1Very high76 Ų7659.2 Ų59.241%0.40629%0.287SS..Hα-helixtrans-61.3-24.4173.5-80.2-64.4000113V14 E15 C20V14-N18 WeakPolarHBondContact CG1-ND2 3.44Å; V14-N18 PolarHBondContact O-N 3.22Å; V14-N18 PolarHBondContact O-ND2 3.42Å; E15-N18 PolarHBondContact O-N 3.48Å; N18-C20 PolarHBondContact O-N 3.37Å
19E97.4Very high98.2Very high124 Ų12459 Ų5958%0.57928%0.282SS*.THydrogen-bonded Turntrans-82.69.7170.7-60.5-174.9171.200113.4E15 Q16 L17 K21E15-E19 PolarHBondContact O-N 2.91Å; Q16-E19 WeakPolarHBondContact O-CB 3.43Å; Q16-E19 PolarHBondContact O-N 3.4Å; Q16-E19 VanDerWaalsContact O-N 3.16Å; L17-E19 PolarHBondContact O-N 2.95Å; E19-K21 VanDerWaalsContact C-N 3.31Å; E19-K21 HydrophobicContact CB-CD 4.22Å; E19-K21 HydrophobicContact CB-CG 4.38Å; E19-K21 PolarHBondContact O-N 3.47Å; E19-K21 WeakPolarHBondContact OE2-CE 3.41Å; E19-K21 IonicContact OE2-NZ 3.8Å; E19-K21 PolarHBondContact OE2-NZ 3.32Å
20C97.9Very high98.4Very high28 Ų2858.8 Ų58.819%0.18929%0.286CS..THydrogen-bonded Turntrans5938-175.7-1640000112.8L17 N18 F62L17-C20 WeakPolarHBondContact O-CA 3.3Å; L17-C20 PolarHBondContact O-N 2.92Å; N18-C20 PolarHBondContact O-N 3.37Å; C20-F62 HydrophobicContact CB-CD1 3.82Å; C20-F62 HydrophobicContact CB-CE1 3.56Å; C20-F62 HydrophobicContact CB-CZ 4.26Å; C20-F62 VanDerWaalsContact SG-CD1 3.55Å
21K98.4Very high98.4Very high112 Ų11258.7 Ų58.749%0.48729%0.285SS..  trans-110.4117.3176.5-66.8171.4-177.51650110.2Q16 E19Q16-K21 HydrophobicContact CG-CB 3.77Å; Q16-K21 PolarHBondContact O-N 3.29Å; E19-K21 VanDerWaalsContact C-N 3.31Å; E19-K21 HydrophobicContact CB-CD 4.22Å; E19-K21 HydrophobicContact CB-CG 4.38Å; E19-K21 PolarHBondContact O-N 3.47Å; E19-K21 WeakPolarHBondContact OE2-CE 3.41Å; E19-K21 IonicContact OE2-NZ 3.8Å; E19-K21 PolarHBondContact OE2-NZ 3.32Å
22Q98.3Very high98.5Very high58 Ų5856.3 Ų56.327%0.27127%0.273SS..PPolyproline II helixtrans-56.8146.9177.172.6-174.368.500112.3Q16 V94 E95 K136 Y137Q16-Q22 PolarHBondContact NE2-O 3.1Å; Q22-V94 HydrophobicContact CB-CG1 4.01Å; Q22-E95 HydrophobicContact CB-CG 4.49Å; Q22-K136 PolarHBondContact NE2-O 3.18Å; Q22-K136 VanDerWaalsContact OE1-CG 3.32Å; Q22-Y137 VanDerWaalsContact NE2-CE1 3.34Å; Q22-Y137 VanDerWaalsContact NE2-CZ 3.33Å
23L98.8Very high98.5Very high1 Ų155.5 Ų55.51%0.00527%0.269CS..PPolyproline II helixtrans-72.3158.4167.1-60.5-174.9000110.4W13 L17 Q27 V28 L31 T98 Y137W13-L23 HydrophobicContact CB-CD1 4.13Å; W13-L23 HydrophobicContact CB-CD2 3.83Å; W13-L23 HydrophobicContact CD2-CD1 3.96Å; W13-L23 HydrophobicContact CD2-CD2 4.46Å; W13-L23 HydrophobicContact CE3-CD1 3.82Å; W13-L23 HydrophobicContact CG-CD1 4.11Å; W13-L23 HydrophobicContact CG-CD2 3.88Å; L17-L23 HydrophobicContact CD1-CD1 4.18Å; L17-L23 HydrophobicContact CD1-CD2 4.37Å; L17-L23 HydrophobicContact CD1-CG 4.15Å; L17-L23 HydrophobicContact CD2-CG 4.22Å; L17-L23 HydrophobicContact CG-CD2 4.24Å; L17-L23 HydrophobicContact CG-CG 4.24Å; L23-Q27 HydrophobicContact CB-CB 3.86Å; L23-Q27 HydrophobicContact CD1-CB 4.19Å; L23-V28 HydrophobicContact CB-CG2 4.02Å; L23-L31 HydrophobicContact CD1-CD2 4.22Å; L23-T98 HydrophobicContact CB-CG2 4.36Å; L23-T98 HydrophobicContact CD1-CG2 3.61Å; L23-T98 HydrophobicContact CG-CG2 3.81Å; L23-Y137 WeakPolarHBondContact O-CE1 3.36Å; L23-Y137 PolarHBondContact O-OH 3.41Å
24N98.8Very high98.5Very high81 Ų8158.5 Ų58.543%0.43328%0.282SS..PPolyproline II helixtrans-74.1163.9172.373.554.8000111.8N26 Q27 V28N24-N26 VanDerWaalsContact C-N 3.32Å; N24-N26 PolarHBondContact O-N 3.4Å; N24-N26 PolarHBondContact OD1-N 2.83Å; N24-N26 VanDerWaalsContact OD1-N 3.11Å; N24-Q27 VanDerWaalsContact CG-OE1 3.26Å; N24-Q27 PolarHBondContact ND2-OE1 3.28Å; N24-Q27 WeakPolarHBondContact O-CB 3.4Å; N24-Q27 PolarHBondContact O-N 2.67Å; N24-Q27 VanDerWaalsContact O-N 3.11Å; N24-Q27 WeakPolarHBondContact OD1-CG 3.39Å; N24-Q27 PolarHBondContact OD1-N 3.34Å; N24-V28 WeakPolarHBondContact O-CG2 3.45Å; N24-V28 PolarHBondContact O-N 3.17Å
25E98.8Very high98.5Very high47 Ų4757.6 Ų57.622%0.2228%0.276CS..Hα-helixtrans-55.3-41.3-174.8-178.1179.4142.800113.7V28 R29 Y137 N139 N141 V142 Y145E25-V28 PolarHBondContact O-N 3.01Å; E25-R29 WeakPolarHBondContact O-CB 3.35Å; E25-R29 PolarHBondContact O-N 2.79Å; E25-Y137 HydrophobicContact CB-CD1 4.34Å; E25-N139 PolarHBondContact OE2-ND2 3.22Å; E25-N139 PolarHBondContact OE2-OD1 3.16Å; E25-N141 HydrophobicContact CG-CB 4.39Å; E25-N141 WeakPolarHBondContact OE1-CB 3.4Å; E25-N141 PolarHBondContact OE1-ND2 3.25Å; E25-V142 HydrophobicContact CB-CG2 4.23Å; E25-V142 HydrophobicContact CG-CG2 4.01Å; E25-Y145 HydrophobicContact CG-CE2 4Å
26N98.6Very high98.6Very high106 Ų10652.8 Ų52.857%0.56725%0.253SS*.Hα-helixtrans-69.8-36.5179.6-74.4-31.3000112.4N24 T30N24-N26 VanDerWaalsContact C-N 3.32Å; N24-N26 PolarHBondContact O-N 3.4Å; N24-N26 PolarHBondContact OD1-N 2.83Å; N24-N26 VanDerWaalsContact OD1-N 3.11Å; N26-T30 WeakPolarHBondContact O-CB 3.43Å; N26-T30 PolarHBondContact O-N 3.42Å; N26-T30 PolarHBondContact O-OG1 2.8Å
27Q98.8Very high98.6Very high33 Ų3354.5 Ų54.515%0.15426%0.262CS..Hα-helixtrans-64.7-45.6173.6-71.3172.3-43.700110.5W13 L23 N24 R29 T30 L31W13-Q27 HydrophobicContact CH2-CB 4.22Å; W13-Q27 HydrophobicContact CH2-CG 4.38Å; W13-Q27 HydrophobicContact CZ2-CB 4Å; W13-Q27 HydrophobicContact CZ2-CG 3.7Å; W13-Q27 VanDerWaalsContact NE1-NE2 3.12Å; L23-Q27 HydrophobicContact CB-CB 3.86Å; L23-Q27 HydrophobicContact CD1-CB 4.19Å; N24-Q27 VanDerWaalsContact CG-OE1 3.26Å; N24-Q27 PolarHBondContact ND2-OE1 3.28Å; N24-Q27 WeakPolarHBondContact O-CB 3.4Å; N24-Q27 PolarHBondContact O-N 2.67Å; N24-Q27 VanDerWaalsContact O-N 3.11Å; N24-Q27 WeakPolarHBondContact OD1-CG 3.39Å; N24-Q27 PolarHBondContact OD1-N 3.34Å; Q27-R29 PolarHBondContact O-N 2.72Å; Q27-T30 PolarHBondContact O-N 3.04Å; Q27-L31 VanDerWaalsContact O-CB 3.32Å; Q27-L31 WeakPolarHBondContact O-CB 3.45Å; Q27-L31 PolarHBondContact O-N 3.14Å
28V98.9Very high98.6Very high0 Ų056.3 Ų56.30%027%0.271CS..Hα-helixtrans-58.9-47.5175.3173.60000110.9L23 N24 E25 T30 L31 C32 V142 Y145 F146L23-V28 HydrophobicContact CB-CG2 4.02Å; N24-V28 WeakPolarHBondContact O-CG2 3.45Å; N24-V28 PolarHBondContact O-N 3.17Å; E25-V28 PolarHBondContact O-N 3.01Å; V28-T30 VanDerWaalsContact C-N 3.32Å; V28-T30 PolarHBondContact O-N 3.26Å; V28-L31 PolarHBondContact O-N 2.92Å; V28-C32 PolarHBondContact O-N 3.44Å; V28-C32 PolarHBondContact O-SG 2.83Å; V28-C32 VanDerWaalsContact O-SG 3.4Å; V28-V142 HydrophobicContact CB-CG2 4.41Å; V28-V142 HydrophobicContact CG1-CG1 4.07Å; V28-V142 HydrophobicContact CG1-CG2 4.37Å; V28-Y145 HydrophobicContact CG1-CD2 4.45Å; V28-F146 HydrophobicContact CG1-CD2 4.16Å; V28-F146 HydrophobicContact CG1-CE1 4.45Å; V28-F146 HydrophobicContact CG1-CE2 3.52Å; V28-F146 HydrophobicContact CG1-CZ 3.67Å
29R98.8Very high98.6Very high131 Ų13152.7 Ų52.749%0.49425%0.252SS..Hα-helixtrans-54.4-50.1175.9-175.6-177.6172.2177.2-2.2111.4E25 Q27 L31 C32 E33 Y145E25-R29 WeakPolarHBondContact O-CB 3.35Å; E25-R29 PolarHBondContact O-N 2.79Å; Q27-R29 PolarHBondContact O-N 2.72Å; R29-L31 VanDerWaalsContact C-N 3.35Å; R29-L31 PolarHBondContact O-N 3.34Å; R29-C32 PolarHBondContact O-N 2.98Å; R29-E33 WeakPolarHBondContact O-CG 3.39Å; R29-E33 PolarHBondContact O-N 2.77Å; R29-E33 VanDerWaalsContact O-N 3.07Å; R29-Y145 HydrophobicContact CB-CD2 3.82Å; R29-Y145 HydrophobicContact CB-CE2 3.6Å; R29-Y145 HydrophobicContact CB-CG 4.44Å; R29-Y145 HydrophobicContact CG-CD2 4.35Å; R29-Y145 HydrophobicContact CG-CE1 4.19Å; R29-Y145 HydrophobicContact CG-CE2 4Å
30T98.7Very high98.7Very high64 Ų6450.4 Ų50.439%0.39325%0.246SC..Hα-helixtrans-63.2-42.5-179-56.90000111.5F6 W13 N26 Q27 V28 E33 K34F6-T30 HydrophobicContact CE2-CG2 4.35Å; W13-T30 HydrophobicContact CH2-CG2 4.17Å; N26-T30 WeakPolarHBondContact O-CB 3.43Å; N26-T30 PolarHBondContact O-N 3.42Å; N26-T30 PolarHBondContact O-OG1 2.8Å; Q27-T30 PolarHBondContact O-N 3.04Å; V28-T30 VanDerWaalsContact C-N 3.32Å; V28-T30 PolarHBondContact O-N 3.26Å; T30-E33 PolarHBondContact O-N 3.06Å; T30-K34 WeakPolarHBondContact O-CG 3.44Å; T30-K34 PolarHBondContact O-N 3.06Å; T30-K34 VanDerWaalsContact O-N 3.09Å
31L98.9Very high98.7Very high0 Ų057.3 Ų57.30%027%0.273CS..Hα-helixtrans-60.4-48.9177178.864.9000111.3L10 W13 L23 Q27 V28 R29 E33 K34 A35 T98 V101 A102 V105L10-L31 HydrophobicContact CD1-CD1 4.07Å; W13-L31 HydrophobicContact CZ3-CB 3.98Å; W13-L31 HydrophobicContact CZ3-CD1 4.47Å; L23-L31 HydrophobicContact CD1-CD2 4.22Å; Q27-L31 VanDerWaalsContact O-CB 3.32Å; Q27-L31 WeakPolarHBondContact O-CB 3.45Å; Q27-L31 PolarHBondContact O-N 3.14Å; V28-L31 PolarHBondContact O-N 2.92Å; R29-L31 VanDerWaalsContact C-N 3.35Å; R29-L31 PolarHBondContact O-N 3.34Å; L31-E33 PolarHBondContact O-N 3.47Å; L31-K34 PolarHBondContact O-N 2.92Å; L31-A35 WeakPolarHBondContact O-CB 3.46Å; L31-A35 PolarHBondContact O-N 2.85Å; L31-T98 HydrophobicContact CD2-CG2 3.75Å; L31-V101 HydrophobicContact CD1-CG1 4.21Å; L31-V101 HydrophobicContact CD2-CB 4.34Å; L31-V101 HydrophobicContact CD2-CG1 4.07Å; L31-V101 HydrophobicContact CG-CG1 3.84Å; L31-A102 HydrophobicContact CD1-CB 4.23Å; L31-A102 HydrophobicContact CD2-CB 4.2Å; L31-V105 HydrophobicContact CD1-CB 4.07Å; L31-V105 HydrophobicContact CD1-CG2 3.75Å
32C98.9Very high98.7Very high0 Ų053 Ų530%026%0.255CS..Hα-helixtrans-62.5-42.2179.5-70.40000112.2V28 R29 K34 A35 K36 L149V28-C32 PolarHBondContact O-N 3.44Å; V28-C32 PolarHBondContact O-SG 2.83Å; V28-C32 VanDerWaalsContact O-SG 3.4Å; R29-C32 PolarHBondContact O-N 2.98Å; C32-K34 VanDerWaalsContact C-N 3.32Å; C32-K34 PolarHBondContact O-N 2.97Å; C32-A35 PolarHBondContact O-N 2.84Å; C32-K36 WeakPolarHBondContact O-CG 3.28Å; C32-K36 PolarHBondContact O-N 2.79Å; C32-L149 HydrophobicContact CB-CB 4.34Å; C32-L149 HydrophobicContact CB-CD2 4.31Å
33E98.8Very high98.7Very high88 Ų8852.4 Ų52.441%0.41126%0.256SS..Hα-helixtrans-63.2-40.1177.2-67.9-56.9122.600111.6R29 T30 L31 K36 E37R29-E33 WeakPolarHBondContact O-CG 3.39Å; R29-E33 PolarHBondContact O-N 2.77Å; R29-E33 VanDerWaalsContact O-N 3.07Å; T30-E33 PolarHBondContact O-N 3.06Å; L31-E33 PolarHBondContact O-N 3.47Å; E33-K36 PolarHBondContact O-N 3.3Å; E33-K36 IonicContact OE1-NZ 2.8Å; E33-K36 PolarHBondContact OE1-NZ 2.9Å; E33-E37 PolarHBondContact O-N 3.38Å; E33-E37 VanDerWaalsContact O-N 3.15Å
34K98.6Very high98.7Very high69 Ų6952.7 Ų52.730%0.326%0.258SS..Hα-helixtrans-66.8-36.9174.2-72-70.3169.7-144.40113.2F6 T30 L31 C32 E37 I38 V105F6-K34 HydrophobicContact CE1-CD 4.31Å; F6-K34 HydrophobicContact CE1-CG 4.15Å; F6-K34 HydrophobicContact CZ-CB 4.42Å; F6-K34 HydrophobicContact CZ-CD 4.36Å; F6-K34 HydrophobicContact CZ-CG 3.77Å; T30-K34 WeakPolarHBondContact O-CG 3.44Å; T30-K34 PolarHBondContact O-N 3.06Å; T30-K34 VanDerWaalsContact O-N 3.09Å; L31-K34 PolarHBondContact O-N 2.92Å; C32-K34 VanDerWaalsContact C-N 3.32Å; C32-K34 PolarHBondContact O-N 2.97Å; K34-E37 IonicContact NZ-OE1 3.31Å; K34-E37 PolarHBondContact NZ-OE1 2.83Å; K34-E37 IonicContact NZ-OE2 3.68Å; K34-E37 PolarHBondContact NZ-OE2 2.95Å; K34-E37 PolarHBondContact O-N 2.84Å; K34-I38 PolarHBondContact O-N 3.19Å; K34-V105 HydrophobicContact CB-CG1 3.9Å; K34-V105 HydrophobicContact CB-CG2 4.34Å
35A98.8Very high98.8Very high0 Ų048.8 Ų48.80%024%0.237CC..Hα-helixtrans-65.8-41174.400000111.7L31 C32 E37 I38 L39 V101 V105 L149L31-A35 WeakPolarHBondContact O-CB 3.46Å; L31-A35 PolarHBondContact O-N 2.85Å; C32-A35 PolarHBondContact O-N 2.84Å; A35-E37 PolarHBondContact O-N 2.88Å; A35-I38 PolarHBondContact O-N 3Å; A35-I38 VanDerWaalsContact O-N 3.1Å; A35-L39 WeakPolarHBondContact O-CB 3.42Å; A35-L39 WeakPolarHBondContact O-CG 3.38Å; A35-L39 PolarHBondContact O-N 3.28Å; A35-V101 HydrophobicContact CB-CG1 3.6Å; A35-V105 HydrophobicContact CB-CG2 3.7Å; A35-L149 HydrophobicContact CB-CD1 3.54Å; A35-L149 HydrophobicContact CB-CD2 4.05Å; A35-L149 HydrophobicContact CB-CG 4.47Å
36K98.9Very high98.8Very high28 Ų2848.3 Ų48.312%0.12224%0.235CC..Hα-helixtrans-59.4-42.6174.4-69.8173.5-172.4167.60112.3C32 E33 I38 L39 T40 D148 L149 Y152C32-K36 WeakPolarHBondContact O-CG 3.28Å; C32-K36 PolarHBondContact O-N 2.79Å; E33-K36 PolarHBondContact O-N 3.3Å; E33-K36 IonicContact OE1-NZ 2.8Å; E33-K36 PolarHBondContact OE1-NZ 2.9Å; K36-I38 PolarHBondContact O-N 2.97Å; K36-L39 PolarHBondContact O-N 3.28Å; K36-T40 VanDerWaalsContact O-CB 3.31Å; K36-T40 WeakPolarHBondContact O-CB 3.49Å; K36-T40 PolarHBondContact O-N 2.77Å; K36-D148 WeakPolarHBondContact CE-O 3.31Å; K36-L149 HydrophobicContact CG-CD1 3.79Å; K36-Y152 HydrophobicContact CB-CD1 4.32Å; K36-Y152 HydrophobicContact CB-CE1 4.35Å; K36-Y152 HydrophobicContact CB-CG 4.45Å; K36-Y152 HydrophobicContact CD-CD2 4.31Å; K36-Y152 HydrophobicContact CD-CE2 3.98Å; K36-Y152 HydrophobicContact CG-CD1 4.42Å; K36-Y152 HydrophobicContact CG-CD2 3.86Å; K36-Y152 HydrophobicContact CG-CE2 3.99Å; K36-Y152 HydrophobicContact CG-CG 4.1Å
37E98.6Very high98.8Very high99 Ų9947.9 Ų47.946%0.46323%0.229SC..Hα-helixtrans-57.2-30.5175.7-71.2173.3-16100113E33 K34 A35 K41E33-E37 PolarHBondContact O-N 3.38Å; E33-E37 VanDerWaalsContact O-N 3.15Å; K34-E37 IonicContact NZ-OE1 3.31Å; K34-E37 PolarHBondContact NZ-OE1 2.83Å; K34-E37 IonicContact NZ-OE2 3.68Å; K34-E37 PolarHBondContact NZ-OE2 2.95Å; K34-E37 PolarHBondContact O-N 2.84Å; A35-E37 PolarHBondContact O-N 2.88Å; E37-K41 VanDerWaalsContact O-CE 3.3Å; E37-K41 WeakPolarHBondContact O-CE 3.34Å
38I98.7Very high98.8Very high38 Ų3847 Ų4720%0.19523%0.227CC..Hα-helixtrans-84.5-58177.9-64.7166.4000109.8K34 A35 K36 T40 K41 V105 P108K34-I38 PolarHBondContact O-N 3.19Å; A35-I38 PolarHBondContact O-N 3Å; A35-I38 VanDerWaalsContact O-N 3.1Å; K36-I38 PolarHBondContact O-N 2.97Å; I38-T40 PolarHBondContact O-N 2.95Å; I38-K41 WeakPolarHBondContact O-CB 3.01Å; I38-K41 PolarHBondContact O-N 3.12Å; I38-V105 HydrophobicContact CD1-CB 4.28Å; I38-V105 HydrophobicContact CD1-CG1 4.26Å; I38-V105 HydrophobicContact CD1-CG2 4.23Å; I38-P108 HydrophobicContact CG2-CB 4.14Å
39L98.8Very high98.7Very high0 Ų056.9 Ų56.90%026%0.264CS..Hα-helixtrans-63.8-27.2-172.8-65.6174.2000112.9A35 K36 K41 E42 K104 L149 L153 R185A35-L39 WeakPolarHBondContact O-CB 3.42Å; A35-L39 WeakPolarHBondContact O-CG 3.38Å; A35-L39 PolarHBondContact O-N 3.28Å; K36-L39 PolarHBondContact O-N 3.28Å; L39-K41 PolarHBondContact O-N 2.9Å; L39-E42 WeakPolarHBondContact CD2-OE2 3.4Å; L39-E42 WeakPolarHBondContact O-CB 3.15Å; L39-E42 PolarHBondContact O-N 2.8Å; L39-E42 VanDerWaalsContact O-N 3.09Å; L39-K104 HydrophobicContact CD2-CG 4.42Å; L39-L149 HydrophobicContact CD1-CD1 3.68Å; L39-L149 HydrophobicContact CD1-CG 4.47Å; L39-L153 HydrophobicContact CD1-CD2 3.89Å; L39-R185 PolarHBondContact O-NH2 3.03Å
40T98.6Very high98.6Very high75 Ų7551.8 Ų51.846%0.4625%0.248SC..THydrogen-bonded Turntrans-64.3-20.6175.7-154.50000113.2K36 I38K36-T40 VanDerWaalsContact O-CB 3.31Å; K36-T40 WeakPolarHBondContact O-CB 3.49Å; K36-T40 PolarHBondContact O-N 2.77Å; I38-T40 PolarHBondContact O-N 2.95Å
41K98.6Very high98.6Very high173 Ų17351.2 Ų51.275%0.75225%0.246SC*.THydrogen-bonded Turntrans-89.4-11.4178-59.7170.2-174.41620112.3E37 I38 L39E37-K41 VanDerWaalsContact O-CE 3.3Å; E37-K41 WeakPolarHBondContact O-CE 3.34Å; I38-K41 WeakPolarHBondContact O-CB 3.01Å; I38-K41 PolarHBondContact O-N 3.12Å; L39-K41 PolarHBondContact O-N 2.9Å
42E98.8Very high98.6Very high23 Ų2351.4 Ų51.411%0.10725%0.246CC..SBendtrans-83.4146-179.9-68-173.6-179.200110.9L39 Q46 K104 P154 R185L39-E42 WeakPolarHBondContact CD2-OE2 3.4Å; L39-E42 WeakPolarHBondContact O-CB 3.15Å; L39-E42 PolarHBondContact O-N 2.8Å; L39-E42 VanDerWaalsContact O-N 3.09Å; E42-Q46 VanDerWaalsContact CA-OE1 3.31Å; E42-K104 WeakPolarHBondContact OE1-CE 3.45Å; E42-K104 IonicContact OE1-NZ 3.64Å; E42-K104 PolarHBondContact OE1-NZ 3.42Å; E42-K104 IonicContact OE2-NZ 2.61Å; E42-P154 HydrophobicContact CB-CG 3.84Å; E42-P154 WeakPolarHBondContact OE2-CG 3.23Å; E42-R185 VanDerWaalsContact O-CZ 3.31Å; E42-R185 PolarHBondContact O-NH1 3.33Å; E42-R185 PolarHBondContact O-NH2 2.87Å
43S98.8Very high98.6Very high44 Ų4451.6 Ų51.631%0.30825%0.248SC..  trans-80.9157.8-177.8170.70000110.7V45 Q46 P154S43-V45 WeakPolarHBondContact CB-O 3.44Å; S43-V45 PolarHBondContact O-N 3.36Å; S43-V45 PolarHBondContact OG-N 3.01Å; S43-V45 VanDerWaalsContact OG-N 3.13Å; S43-V45 PolarHBondContact OG-O 2.98Å; S43-Q46 VanDerWaalsContact N-OE1 3.12Å; S43-P154 WeakPolarHBondContact O-CB 3.44Å
44N98.9Very high98.6Very high7 Ų747.4 Ų47.44%0.03723%0.228CC..SBendtrans-63-27.9169.3-65.2-10.6000112.3T156 I180 L183 R185N44-T156 PolarHBondContact O-N 3.05Å; N44-T156 VanDerWaalsContact O-O 3.09Å; N44-T156 PolarHBondContact O-OG1 3.27Å; N44-I180 HydrophobicContact CB-CG2 4.17Å; N44-I180 WeakPolarHBondContact CB-O 3.28Å; N44-I180 PolarHBondContact ND2-O 3.19Å; N44-L183 PolarHBondContact ND2-O 3.45Å; N44-R185 WeakPolarHBondContact OD1-CD 3.16Å; N44-R185 VanDerWaalsContact OD1-CG 3.28Å; N44-R185 WeakPolarHBondContact OD1-CG 3.48Å; N44-R185 PolarHBondContact OD1-NH1 2.85Å
45V98.9Very high98.6Very high0 Ų044.1 Ų44.10%021%0.214CC..EExtended strand (participates in β ladder)trans-110.488.8167.9-173.60000106.1S43 E47 T156 L158 I180 R181S43-V45 WeakPolarHBondContact CB-O 3.44Å; S43-V45 PolarHBondContact O-N 3.36Å; S43-V45 PolarHBondContact OG-N 3.01Å; S43-V45 VanDerWaalsContact OG-N 3.13Å; S43-V45 PolarHBondContact OG-O 2.98Å; V45-E47 PolarHBondContact O-N 2.85Å; V45-T156 WeakPolarHBondContact CA-OG1 3.43Å; V45-L158 HydrophobicContact CG1-CB 3.87Å; V45-I180 HydrophobicContact CG2-CB 3.66Å; V45-I180 HydrophobicContact CG2-CD1 4.49Å; V45-I180 HydrophobicContact CG2-CG2 3.65Å; V45-R181 HydrophobicContact CB-CG 4.02Å; V45-R181 HydrophobicContact CG2-CG 3.69Å
46Q98.9Very high98.6Very high36 Ų3644.1 Ų44.117%0.16821%0.214CC..EExtended strand (participates in β ladder)trans-77.2118-175.1-179.152.345.200110.2E42 S43 V48 T112 P154 T156 A157 L158E42-Q46 VanDerWaalsContact CA-OE1 3.31Å; S43-Q46 VanDerWaalsContact N-OE1 3.12Å; Q46-V48 HydrophobicContact CG-CG2 4.45Å; Q46-T112 HydrophobicContact CG-CG2 4.09Å; Q46-P154 HydrophobicContact CB-CB 4.13Å; Q46-P154 HydrophobicContact CB-CG 4.34Å; Q46-T156 PolarHBondContact N-O 3.26Å; Q46-A157 HydrophobicContact CB-CB 4.44Å; Q46-A157 CarbonylContact O-C 3.55Å; Q46-A157 WeakPolarHBondContact O-CA 3.23Å; Q46-A157 WeakPolarHBondContact O-CB 3.34Å; Q46-L158 PolarHBondContact O-N 3.41Å
47E98.7Very high98.6Very high97 Ų9742.8 Ų42.845%0.45321%0.208SC..EExtended strand (participates in β ladder)trans-69.7132175.7-61.5-67.2160.100109.8V45 R181V45-E47 PolarHBondContact O-N 2.85Å; E47-R181 IonicContact OE1-NH2 2.94Å; E47-R181 PolarHBondContact OE1-NH2 3.45Å
48V98.6Very high98.6Very high16 Ų1638.2 Ų38.210%0.09719%0.187CC..EExtended strand (participates in β ladder)trans-132.1140.2178.71790000108.5Q46 V52 L81 T112 A157 L158 V159 D160Q46-V48 HydrophobicContact CG-CG2 4.45Å; V48-V52 HydrophobicContact CG1-CB 4.4Å; V48-V52 HydrophobicContact CG1-CG1 4.36Å; V48-V52 HydrophobicContact CG1-CG2 4.16Å; V48-L81 HydrophobicContact CG1-CD1 4.48Å; V48-L81 HydrophobicContact CG2-CD1 4.23Å; V48-T112 HydrophobicContact CG2-CG2 4.14Å; V48-T112 WeakPolarHBondContact CG2-OG1 3.44Å; V48-A157 HydrophobicContact CG2-CB 4.1Å; V48-L158 PolarHBondContact N-O 3.47Å; V48-V159 HydrophobicContact CB-CG2 4.26Å; V48-V159 HydrophobicContact CG1-CG2 4.48Å; V48-V159 CarbonylContact O-C 3.57Å; V48-V159 VanDerWaalsContact O-CA 3.28Å; V48-V159 WeakPolarHBondContact O-CA 3.36Å; V48-D160 PolarHBondContact O-N 2.91Å
49R98Very high98.6Very high206 Ų20636.5 Ų36.578%0.77718%0.178SC*.PPolyproline II helixtrans-99.9148177.4-66.2-175.4-177.9171.81.8111.4D160R49-D160 WeakPolarHBondContact CA-OD1 3.46Å
50C96.8Very high98.6Very high25 Ų2536.5 Ų36.517%0.16918%0.178CC..SBendtrans-72.1158.8165.2810000110.9D160 D279 D280 L282C50-D160 WeakPolarHBondContact CB-OD2 3.25Å; C50-D160 PolarHBondContact N-OD2 3.15Å; C50-D160 PolarHBondContact SG-OD2 2.96Å; C50-D279 VanDerWaalsContact CB-O 3.31Å; C50-D279 WeakPolarHBondContact CB-O 3.29Å; C50-D279 PolarHBondContact SG-O 3.04Å; C50-D280 VanDerWaalsContact SG-CA 3.58Å; C50-D280 PolarHBondContact SG-O 2.79Å; C50-D280 VanDerWaalsContact SG-O 3.34Å; C50-L282 HydrophobicContact CB-CD2 4.1Å
51P98.4Very high98.6Very high52 Ų5233 Ų3334%0.33816%0.156SC..SBendcis-75147.7-5.631.9-33.4000111.4N79 L278 D280P51-N79 WeakPolarHBondContact O-CB 3.43Å; P51-N79 PolarHBondContact O-ND2 3.43Å; P51-L278 CarbonylContact C-O 3.09Å; P51-L278 WeakPolarHBondContact CA-O 3.18Å; P51-L278 WeakPolarHBondContact CB-O 3.48Å; P51-D280 VanDerWaalsContact CD-OD1 3.29Å; P51-D280 WeakPolarHBondContact CD-OD1 3.31Å; P51-D280 WeakPolarHBondContact CG-OD1 3.43Å
52V98.9Very high98.6Very high3 Ų324.9 Ų24.92%0.01812%0.121CC..EExtended strand (participates in β ladder)trans-153.6143.4179.666.70000112V48 V54 N79 L81 V159 L278V48-V52 HydrophobicContact CG1-CB 4.4Å; V48-V52 HydrophobicContact CG1-CG1 4.36Å; V48-V52 HydrophobicContact CG1-CG2 4.16Å; V52-V54 HydrophobicContact CG1-CG2 4.41Å; V52-N79 HydrophobicContact CB-CB 4.4Å; V52-N79 HydrophobicContact CG2-CB 4.26Å; V52-L81 HydrophobicContact CG2-CB 3.9Å; V52-V159 HydrophobicContact CG1-CG1 3.81Å; V52-V159 HydrophobicContact CG1-CG2 4.35Å; V52-L278 HydrophobicContact CG1-CB 4.22Å; V52-L278 HydrophobicContact CG1-CD1 3.93Å; V52-L278 PolarHBondContact N-O 2.98Å; V52-L278 WeakPolarHBondContact O-CB 3.5Å; V52-L278 PolarHBondContact O-N 2.85Å
53T98.9Very high98.6Very high4 Ų428.2 Ų28.23%0.02514%0.136CC..EExtended strand (participates in β ladder)trans-98.7116.2173.2-58.20000109.9T78 N79 Y80 L81 I275 M276 E277T53-T78 WeakPolarHBondContact OG1-CG2 3.18Å; T53-N79 PolarHBondContact N-O 3.48Å; T53-Y80 HydrophobicContact CG2-CD1 4.04Å; T53-Y80 HydrophobicContact CG2-CE1 3.58Å; T53-Y80 CarbonylContact O-C 3.47Å; T53-Y80 WeakPolarHBondContact O-CA 3.4Å; T53-L81 PolarHBondContact O-N 2.93Å; T53-I275 HydrophobicContact CG2-CB 4Å; T53-I275 HydrophobicContact CG2-CD1 3.83Å; T53-I275 HydrophobicContact CG2-CG1 4.2Å; T53-M276 CarbonylContact C-O 3.58Å; T53-E277 HydrophobicContact CG2-CG 4.17Å
54V98.9Very high98.6Very high0 Ų026.7 Ų26.70%013%0.125CC..EExtended strand (participates in β ladder)trans-90.9129.4-179.4-179.50000110.1V52 L81 M83 I259 M276 L278V52-V54 HydrophobicContact CG1-CG2 4.41Å; V54-L81 CarbonylContact C-O 3.55Å; V54-L81 WeakPolarHBondContact CA-O 3.48Å; V54-L81 HydrophobicContact CG1-CD2 4.36Å; V54-L81 HydrophobicContact CG2-CB 4.4Å; V54-M83 HydrophobicContact CG1-CE 3.75Å; V54-M83 HydrophobicContact CG1-CG 4.31Å; V54-M83 HydrophobicContact CG1-SD 3.91Å; V54-I259 HydrophobicContact CB-CD1 4.44Å; V54-I259 HydrophobicContact CG1-CD1 3.95Å; V54-M276 HydrophobicContact CB-CB 4.3Å; V54-M276 HydrophobicContact CB-CE 3.89Å; V54-M276 HydrophobicContact CG1-CE 4.18Å; V54-M276 HydrophobicContact CG2-CE 3.81Å; V54-M276 PolarHBondContact N-O 2.98Å; V54-M276 PolarHBondContact O-N 2.99Å; V54-L278 HydrophobicContact CG2-CD1 3.99Å
55C98.9Very high98.5Very high0 Ų026.5 Ų26.50%012%0.124CC..EExtended strand (participates in β ladder)trans-126142.6-176.3-54.10000110.5L68 L81 F82 M83 I275C55-L68 HydrophobicContact CB-CD1 4.22Å; C55-L81 PolarHBondContact N-O 3Å; C55-F82 HydrophobicContact CB-CD1 3.44Å; C55-F82 VanDerWaalsContact CB-CD1 3.44Å; C55-F82 HydrophobicContact CB-CE1 3.58Å; C55-F82 HydrophobicContact CB-CG 3.97Å; C55-F82 HydrophobicContact CB-CZ 4.21Å; C55-M83 WeakPolarHBondContact O-CG 3.21Å; C55-M83 PolarHBondContact O-N 2.96Å; C55-I275 HydrophobicContact CB-CG2 4.29Å; C55-I275 VanDerWaalsContact SG-CG2 3.58Å
56G98.8Very high98.5Very high0 Ų027.8 Ų27.80%013%0.13CC..  trans-93.9-147.7172.700000112.5I259 S261G56-I259 WeakPolarHBondContact CA-O 3.33Å; G56-S261 PolarHBondContact N-OG 2.92Å
57D98.9Very high98.5Very high1 Ų128 Ų281%0.00513%0.132CC..BIsolated β-bridgetrans-58.9142.4-175-52.925.6000112.6H59 D85 H167 A240 H241 F260 S261 A262D57-H59 IonicContact OD2-NE2 2.75Å; D57-D85 HydrophobicContact CB-CB 4.07Å; D57-H167 IonicContact OD1-CE1 2.83Å; D57-H167 PolarHBondContact OD1-CE1 3.01Å; D57-H167 IonicContact OD1-ND1 3.49Å; D57-H167 IonicContact OD2-CE1 2.61Å; D57-A240 WeakPolarHBondContact OD1-CB 3.46Å; D57-H241 PolarHBondContact OD1-N 3.01Å; D57-H241 VanDerWaalsContact OD2-CA 3.3Å; D57-H241 WeakPolarHBondContact OD2-CA 3.12Å; D57-H241 PolarHBondContact OD2-N 3.33Å; D57-F260 HydrophobicContact CB-CD2 3.97Å; D57-F260 HydrophobicContact CB-CE2 3.65Å; D57-F260 HydrophobicContact CB-CZ 4.12Å; D57-F260 WeakPolarHBondContact OD2-CE2 3.26Å; D57-S261 CarbonylContact O-C 3.5Å; D57-S261 VanDerWaalsContact O-CA 3.24Å; D57-S261 WeakPolarHBondContact O-CA 3.43Å; D57-S261 VanDerWaalsContact O-CB 3.32Å; D57-S261 WeakPolarHBondContact O-CB 3.48Å; D57-S261 PolarHBondContact O-N 3.38Å; D57-A262 PolarHBondContact O-N 3.43Å
58V98.8Very high98.5Very high2 Ų223.5 Ų23.51%0.01211%0.11CC..  trans-122.7-35.8179.6-176.10000112.2G60 Q61 L65 F82 D85 T96V58-G60 PolarHBondContact O-N 2.78Å; V58-Q61 WeakPolarHBondContact O-CB 3.23Å; V58-Q61 PolarHBondContact O-N 3.03Å; V58-Q61 VanDerWaalsContact O-N 3.11Å; V58-L65 HydrophobicContact CG1-CB 3.97Å; V58-L65 HydrophobicContact CG1-CD1 4.43Å; V58-F82 HydrophobicContact CG2-CD1 4.06Å; V58-F82 HydrophobicContact CG2-CE1 4.11Å; V58-D85 PolarHBondContact N-O 3.4Å; V58-T96 HydrophobicContact CB-CG2 4.35Å; V58-T96 HydrophobicContact CG1-CG2 3.6Å
59H98.6Very high98.5Very high2 Ų223.4 Ų23.41%0.00911%0.109CC..THydrogen-bonded Turntrans47.452.5171.2-76.5-61.9000115.2D57 Q61 D85 V87 D88 R89 G90 H118 Y265D57-H59 IonicContact OD2-NE2 2.75Å; H59-Q61 PolarHBondContact O-N 2.65Å; H59-D85 IonicContact CE1-OD2 2.96Å; H59-D85 PolarHBondContact CE1-OD2 3.11Å; H59-D85 PolarHBondContact N-O 3.11Å; H59-D85 IonicContact NE2-OD2 3.96Å; H59-V87 PolarHBondContact ND1-O 3Å; H59-D88 CarbonylContact C-O 3.53Å; H59-D88 WeakPolarHBondContact CA-O 3.36Å; H59-D88 WeakPolarHBondContact CB-O 3.21Å; H59-R89 HydrophobicContact CB-CB 4.3Å; H59-G90 WeakPolarHBondContact O-CA 3.38Å; H59-G90 PolarHBondContact O-N 2.91Å; H59-H118 AromaticContact CE1-CD2 3.52Å; H59-H118 AromaticContact CE1-CG 3.77Å; H59-H118 AromaticContact CE1-NE2 3.72Å; H59-Y265 HydrophobicContact CB-CD2 4.46Å; H59-Y265 HydrophobicContact CB-CE2 3.71Å; H59-Y265 AromaticContact CD2-CE2 3.11Å; H59-Y265 WeakPolarHBondContact CD2-CE2 3.41Å; H59-Y265 AromaticContact CD2-CZ 3.52Å; H59-Y265 PolarHBondContact CD2-OH 3.14Å; H59-Y265 VanDerWaalsContact CD2-OH 3.27Å; H59-Y265 PolarHBondContact CE1-OH 3.42Å; H59-Y265 AromaticContact CG-CE2 3.55Å; H59-Y265 AromaticContact NE2-CE2 3.77Å; H59-Y265 AromaticContact NE2-CZ 3.65Å; H59-Y265 PolarHBondContact NE2-OH 3.09Å
60G98.3Very high98.5Very high0 Ų021.6 Ų21.60%010%0.102CC..THydrogen-bonded Turntrans61.213.8175.400000115.2V58 F62 Y86 Y92V58-G60 PolarHBondContact O-N 2.78Å; G60-F62 PolarHBondContact O-N 3.4Å; G60-Y86 PolarHBondContact N-O 2.74Å; G60-Y92 CarbonylContact O-C 3.53Å; G60-Y92 WeakPolarHBondContact O-CA 3.22Å; G60-Y92 WeakPolarHBondContact O-CB 3.18Å; G60-Y92 PolarHBondContact O-N 3.38Å
61Q98.5Very high98.5Very high2 Ų223 Ų231%0.00911%0.107CC..  trans-82.163.9174.7-67.3-167.5-171.400110.5V58 H59 H63 D64 L65 P263 Y267V58-Q61 WeakPolarHBondContact O-CB 3.23Å; V58-Q61 PolarHBondContact O-N 3.03Å; V58-Q61 VanDerWaalsContact O-N 3.11Å; H59-Q61 PolarHBondContact O-N 2.65Å; Q61-H63 VanDerWaalsContact C-N 3.29Å; Q61-H63 PolarHBondContact O-N 2.82Å; Q61-H63 VanDerWaalsContact O-N 3.14Å; Q61-D64 HydrophobicContact CB-CB 4.11Å; Q61-D64 WeakPolarHBondContact CB-OD2 3.41Å; Q61-D64 PolarHBondContact NE2-OD2 3.4Å; Q61-D64 WeakPolarHBondContact O-CA 3.4Å; Q61-D64 WeakPolarHBondContact O-CB 3.05Å; Q61-D64 PolarHBondContact O-N 2.83Å; Q61-L65 PolarHBondContact O-N 2.97Å; Q61-P263 PolarHBondContact NE2-O 3.35Å; Q61-Y267 HydrophobicContact CG-CE1 3.9Å
62F98.6Very high98.5Very high3 Ų320.8 Ų20.81%0.0139%0.093CC..Hα-helixtrans-51.2-42.3-171.9-178.2-89.8000114.3L17 C20 G60 D64 L65 M66 Y92 E95 L99L17-F62 WeakPolarHBondContact O-CZ 3.39Å; C20-F62 HydrophobicContact CB-CD1 3.82Å; C20-F62 HydrophobicContact CB-CE1 3.56Å; C20-F62 HydrophobicContact CB-CZ 4.26Å; C20-F62 VanDerWaalsContact SG-CD1 3.55Å; G60-F62 PolarHBondContact O-N 3.4Å; F62-D64 VanDerWaalsContact C-N 3.28Å; F62-D64 PolarHBondContact O-N 3.08Å; F62-L65 WeakPolarHBondContact O-CB 3.48Å; F62-L65 PolarHBondContact O-N 3.47Å; F62-M66 HydrophobicContact CD1-CG 4.17Å; F62-M66 HydrophobicContact CE1-CE 4.28Å; F62-M66 HydrophobicContact CE1-CG 3.67Å; F62-M66 HydrophobicContact CE1-SD 4.07Å; F62-M66 HydrophobicContact CE2-CE 4.06Å; F62-M66 HydrophobicContact CZ-CE 3.79Å; F62-M66 HydrophobicContact CZ-CG 4.11Å; F62-M66 HydrophobicContact CZ-SD 3.93Å; F62-M66 WeakPolarHBondContact O-CG 3.4Å; F62-M66 PolarHBondContact O-N 2.91Å; F62-Y92 HydrophobicContact CB-CD2 4.45Å; F62-Y92 HydrophobicContact CB-CG 4.14Å; F62-E95 HydrophobicContact CD2-CB 3.67Å; F62-E95 HydrophobicContact CE2-CB 3.94Å; F62-E95 HydrophobicContact CG-CB 4.3Å; F62-L99 HydrophobicContact CE2-CB 4.44Å; F62-L99 HydrophobicContact CE2-CD2 3.82Å; F62-L99 HydrophobicContact CZ-CD2 4.22Å
63H98.1Very high98.4Very high92 Ų9221.7 Ų21.743%0.42610%0.104SC..Hα-helixtrans-67.9-30.5180-63.2-51.8000112.9Q61 M66 E67 Y92 A292Q61-H63 VanDerWaalsContact C-N 3.29Å; Q61-H63 PolarHBondContact O-N 2.82Å; Q61-H63 VanDerWaalsContact O-N 3.14Å; H63-M66 WeakPolarHBondContact O-CB 3.47Å; H63-M66 PolarHBondContact O-N 3.4Å; H63-E67 PolarHBondContact O-N 2.75Å; H63-Y92 AromaticContact NE2-CE2 3.96Å; H63-A292 HydrophobicContact CB-CB 4.3Å; H63-A292 WeakPolarHBondContact O-CB 3.24Å
64D98.4Very high98.3Very high13 Ų1328.5 Ų28.57%0.0713%0.133CC..Hα-helixtrans-78.4-31175.1-55.7-49.1000111Q61 F62 M66 E67 L68 P263 P291 A292Q61-D64 HydrophobicContact CB-CB 4.11Å; Q61-D64 WeakPolarHBondContact CB-OD2 3.41Å; Q61-D64 PolarHBondContact NE2-OD2 3.4Å; Q61-D64 WeakPolarHBondContact O-CA 3.4Å; Q61-D64 WeakPolarHBondContact O-CB 3.05Å; Q61-D64 PolarHBondContact O-N 2.83Å; F62-D64 VanDerWaalsContact C-N 3.28Å; F62-D64 PolarHBondContact O-N 3.08Å; D64-M66 VanDerWaalsContact C-N 3.27Å; D64-M66 PolarHBondContact O-N 2.88Å; D64-E67 WeakPolarHBondContact O-CB 3.34Å; D64-E67 PolarHBondContact O-N 2.81Å; D64-E67 VanDerWaalsContact O-N 3.1Å; D64-L68 PolarHBondContact O-N 3.15Å; D64-P263 HydrophobicContact CB-CG 3.72Å; D64-P291 WeakPolarHBondContact OD1-CA 3.35Å; D64-A292 PolarHBondContact OD1-N 3.21Å
65L98.6Very high98.1Very high3 Ų329.4 Ų29.42%0.01614%0.139CC..Hα-helixtrans-60.1-37.9165.9176.863.3000111.6V58 Q61 F62 E67 L68 F69 F82 T96 L99 L100V58-L65 HydrophobicContact CG1-CB 3.97Å; V58-L65 HydrophobicContact CG1-CD1 4.43Å; Q61-L65 PolarHBondContact O-N 2.97Å; F62-L65 WeakPolarHBondContact O-CB 3.48Å; F62-L65 PolarHBondContact O-N 3.47Å; L65-E67 VanDerWaalsContact C-N 3.29Å; L65-E67 PolarHBondContact O-N 2.87Å; L65-L68 HydrophobicContact CD1-CD1 4.46Å; L65-L68 WeakPolarHBondContact O-CB 3.17Å; L65-L68 PolarHBondContact O-N 3.42Å; L65-F69 HydrophobicContact CD1-CD2 4.34Å; L65-F69 HydrophobicContact CD1-CE2 3.74Å; L65-F69 HydrophobicContact CD1-CZ 3.87Å; L65-F69 HydrophobicContact CD2-CE2 4.13Å; L65-F69 HydrophobicContact CG-CD2 4.21Å; L65-F69 HydrophobicContact CG-CE2 3.7Å; L65-F69 HydrophobicContact CG-CZ 4.32Å; L65-F69 WeakPolarHBondContact O-CD2 3.3Å; L65-F69 PolarHBondContact O-N 3.45Å; L65-F69 VanDerWaalsContact O-N 3.12Å; L65-F82 HydrophobicContact CD1-CE1 3.86Å; L65-F82 HydrophobicContact CD1-CZ 3.98Å; L65-T96 HydrophobicContact CD2-CG2 3.98Å; L65-L99 HydrophobicContact CD2-CD2 4.35Å; L65-L100 HydrophobicContact CD1-CD2 4.41Å; L65-L100 HydrophobicContact CD2-CD2 4.22Å; L65-L100 HydrophobicContact CD2-CG 4.25Å
66M98.4Very high98.1Very high26 Ų2631.1 Ų31.113%0.12815%0.15CC..Hα-helixtrans-66.8-32.6174.4-65.1-6097.700112.1F62 H63 D64 F69 R70 L99F62-M66 HydrophobicContact CD1-CG 4.17Å; F62-M66 HydrophobicContact CE1-CE 4.28Å; F62-M66 HydrophobicContact CE1-CG 3.67Å; F62-M66 HydrophobicContact CE1-SD 4.07Å; F62-M66 HydrophobicContact CE2-CE 4.06Å; F62-M66 HydrophobicContact CZ-CE 3.79Å; F62-M66 HydrophobicContact CZ-CG 4.11Å; F62-M66 HydrophobicContact CZ-SD 3.93Å; F62-M66 WeakPolarHBondContact O-CG 3.4Å; F62-M66 PolarHBondContact O-N 2.91Å; H63-M66 WeakPolarHBondContact O-CB 3.47Å; H63-M66 PolarHBondContact O-N 3.4Å; D64-M66 VanDerWaalsContact C-N 3.27Å; D64-M66 PolarHBondContact O-N 2.88Å; M66-F69 HydrophobicContact CE-CD2 3.67Å; M66-F69 HydrophobicContact CE-CE2 3.87Å; M66-R70 WeakPolarHBondContact O-CG 3.35Å; M66-R70 PolarHBondContact O-N 3.22Å; M66-R70 VanDerWaalsContact O-N 3.16Å; M66-L99 HydrophobicContact CE-CD2 3.35Å
67E98.3Very high98Very high42 Ų4237.9 Ų37.920%0.19619%0.187CC..Hα-helixtrans-68.8-42.5172.8-167.262.9-164.200111.4H63 D64 L65 F69 R70 I71 F289 A292H63-E67 PolarHBondContact O-N 2.75Å; D64-E67 WeakPolarHBondContact O-CB 3.34Å; D64-E67 PolarHBondContact O-N 2.81Å; D64-E67 VanDerWaalsContact O-N 3.1Å; L65-E67 VanDerWaalsContact C-N 3.29Å; L65-E67 PolarHBondContact O-N 2.87Å; E67-F69 VanDerWaalsContact C-N 3.28Å; E67-F69 PolarHBondContact O-N 2.89Å; E67-R70 WeakPolarHBondContact O-CA 3.11Å; E67-R70 WeakPolarHBondContact O-CB 3.4Å; E67-R70 PolarHBondContact O-N 2.88Å; E67-R70 WeakPolarHBondContact OE2-CD 3.43Å; E67-R70 IonicContact OE2-CZ 3.72Å; E67-R70 IonicContact OE2-NE 3.98Å; E67-R70 IonicContact OE2-NH1 3.74Å; E67-R70 PolarHBondContact OE2-NH1 2.92Å; E67-I71 HydrophobicContact CG-CD1 4.12Å; E67-I71 WeakPolarHBondContact O-CG1 3.36Å; E67-I71 PolarHBondContact O-N 2.98Å; E67-F289 HydrophobicContact CG-CD2 4.18Å; E67-A292 HydrophobicContact CB-CB 4.12Å
68L98.6Very high98Very high1 Ų139.7 Ų39.71%0.00520%0.197CC..Hα-helixtrans-52.5-45.4172.7-177.4160.4000111.6C55 D64 L65 R70 I71 G72 Y80 F82 I275 F289C55-L68 HydrophobicContact CB-CD1 4.22Å; D64-L68 PolarHBondContact O-N 3.15Å; L65-L68 HydrophobicContact CD1-CD1 4.46Å; L65-L68 WeakPolarHBondContact O-CB 3.17Å; L65-L68 PolarHBondContact O-N 3.42Å; L68-R70 VanDerWaalsContact C-N 3.35Å; L68-R70 PolarHBondContact O-N 3.44Å; L68-I71 PolarHBondContact O-N 3.23Å; L68-G72 PolarHBondContact O-N 3.46Å; L68-Y80 HydrophobicContact CD2-CD1 4.48Å; L68-Y80 HydrophobicContact CD2-CE1 3.67Å; L68-F82 HydrophobicContact CD1-CE1 4.18Å; L68-F82 HydrophobicContact CD2-CE1 4.47Å; L68-F82 HydrophobicContact CD2-CZ 4.15Å; L68-I275 HydrophobicContact CD1-CG2 3.67Å; L68-I275 HydrophobicContact CD2-CG2 4.36Å; L68-I275 HydrophobicContact CG-CG2 3.72Å; L68-F289 HydrophobicContact CB-CE2 4.45Å; L68-F289 HydrophobicContact CB-CZ 3.97Å; L68-F289 HydrophobicContact CD1-CZ 4.3Å; L68-F289 HydrophobicContact CG-CZ 4.37Å
69F98.4Very high98Very high15 Ų1540.9 Ų40.97%0.06620%0.204CC..Hα-helixtrans-71.9-21.9175.4-67.2-47000114.5L65 M66 E67 I71 G73 Y80 F82 L99 L100 L103L65-F69 HydrophobicContact CD1-CD2 4.34Å; L65-F69 HydrophobicContact CD1-CE2 3.74Å; L65-F69 HydrophobicContact CD1-CZ 3.87Å; L65-F69 HydrophobicContact CD2-CE2 4.13Å; L65-F69 HydrophobicContact CG-CD2 4.21Å; L65-F69 HydrophobicContact CG-CE2 3.7Å; L65-F69 HydrophobicContact CG-CZ 4.32Å; L65-F69 WeakPolarHBondContact O-CD2 3.3Å; L65-F69 PolarHBondContact O-N 3.45Å; L65-F69 VanDerWaalsContact O-N 3.12Å; M66-F69 HydrophobicContact CE-CD2 3.67Å; M66-F69 HydrophobicContact CE-CE2 3.87Å; E67-F69 VanDerWaalsContact C-N 3.28Å; E67-F69 PolarHBondContact O-N 2.89Å; F69-I71 VanDerWaalsContact C-N 3.29Å; F69-G73 CarbonylContact O-C 3.48Å; F69-G73 VanDerWaalsContact O-CA 3.3Å; F69-G73 WeakPolarHBondContact O-CA 3.2Å; F69-G73 PolarHBondContact O-N 2.94Å; F69-Y80 HydrophobicContact CD1-CE1 4.41Å; F69-Y80 AromaticContact CD1-CE2 3.9Å; F69-Y80 HydrophobicContact CD1-CE2 3.9Å; F69-Y80 AromaticContact CD1-CZ 3.77Å; F69-Y80 HydrophobicContact CE1-CD2 4.23Å; F69-Y80 HydrophobicContact CE1-CE1 4.34Å; F69-Y80 AromaticContact CE1-CE2 3.93Å; F69-Y80 HydrophobicContact CE1-CE2 3.93Å; F69-Y80 AromaticContact CE1-CZ 4Å; F69-F82 HydrophobicContact CE1-CE2 4.48Å; F69-F82 HydrophobicContact CE1-CZ 4.09Å; F69-F82 HydrophobicContact CZ-CZ 4.14Å; F69-L99 HydrophobicContact CE2-CD2 4.29Å; F69-L100 HydrophobicContact CZ-CD2 4.2Å; F69-L103 HydrophobicContact CE2-CD1 4.48Å; F69-L103 HydrophobicContact CZ-CD1 4.04Å
70R97.8Very high98Very high167 Ų16740.9 Ų40.963%0.6320%0.204SC*.Hα-helixtrans-71-31.7170.2-73.8176.5-172.91366111.5M66 E67 L68M66-R70 WeakPolarHBondContact O-CG 3.35Å; M66-R70 PolarHBondContact O-N 3.22Å; M66-R70 VanDerWaalsContact O-N 3.16Å; E67-R70 WeakPolarHBondContact O-CA 3.11Å; E67-R70 WeakPolarHBondContact O-CB 3.4Å; E67-R70 PolarHBondContact O-N 2.88Å; E67-R70 WeakPolarHBondContact OE2-CD 3.43Å; E67-R70 IonicContact OE2-CZ 3.72Å; E67-R70 IonicContact OE2-NE 3.98Å; E67-R70 IonicContact OE2-NH1 3.74Å; E67-R70 PolarHBondContact OE2-NH1 2.92Å; L68-R70 VanDerWaalsContact C-N 3.35Å; L68-R70 PolarHBondContact O-N 3.44Å
71I97.3Very high98Very high56 Ų5640.9 Ų40.929%0.28720%0.204SC..Hα-helixtrans-87.4-53.7-174.9-64.4176.9000111.2E67 L68 F69 G73 I275 L287 F289E67-I71 HydrophobicContact CG-CD1 4.12Å; E67-I71 WeakPolarHBondContact O-CG1 3.36Å; E67-I71 PolarHBondContact O-N 2.98Å; L68-I71 PolarHBondContact O-N 3.23Å; F69-I71 VanDerWaalsContact C-N 3.29Å; I71-G73 VanDerWaalsContact C-N 3.34Å; I71-I275 HydrophobicContact CG2-CD1 4.17Å; I71-L287 HydrophobicContact CG2-CB 3.84Å; I71-L287 HydrophobicContact CG2-CD1 3.79Å; I71-L287 HydrophobicContact CG2-CG 4.45Å; I71-F289 HydrophobicContact CD1-CB 3.12Å; I71-F289 HydrophobicContact CD1-CD1 4.13Å; I71-F289 HydrophobicContact CD1-CD2 4.27Å; I71-F289 HydrophobicContact CD1-CG 3.63Å
72G97.7Very high98.1Very high4 Ų440.8 Ų40.84%0.04120%0.203CC..Hα-helixtrans-83.2-6.418000000114.7L68 T78 Y80L68-G72 PolarHBondContact O-N 3.46Å; G72-T78 WeakPolarHBondContact O-CB 3.36Å; G72-T78 WeakPolarHBondContact O-CG2 3.47Å; G72-T78 PolarHBondContact O-OG1 3.35Å; G72-Y80 WeakPolarHBondContact CA-OH 3.46Å; G72-Y80 PolarHBondContact O-OH 2.83Å
73G98Very high98.1Very high23 Ų2340.6 Ų40.624%0.23720%0.203CC..  trans94.2170.4-175.100000113.6F69 I71 Y80F69-G73 CarbonylContact O-C 3.48Å; F69-G73 VanDerWaalsContact O-CA 3.3Å; F69-G73 WeakPolarHBondContact O-CA 3.2Å; F69-G73 PolarHBondContact O-N 2.94Å; I71-G73 VanDerWaalsContact C-N 3.34Å; G73-Y80 PolarHBondContact O-OH 3.02Å
74K96.6Very high98.1Very high146 Ų14636.2 Ų36.264%0.63518%0.182SC*.  trans-94.6142.6-177.3-67.7-175.6178.5-176.10110.7D77 T78K74-D77 WeakPolarHBondContact O-CA 3.32Å; K74-D77 WeakPolarHBondContact O-CB 3.46Å; K74-D77 PolarHBondContact O-N 3.14Å; K74-T78 PolarHBondContact O-N 3.42Å
75S95Very high98.1Very high19 Ų1935.7 Ų35.713%0.13318%0.179CC..THydrogen-bonded Turntrans-69.5139.3162.5-168.30000109.3
76P97.7Very high98.1Very high37 Ų3735.7 Ų35.724%0.2418%0.179CC..THydrogen-bonded Turncis-92.65.98.138.2-37.6000115.7Y107 R110P76-Y107 HydrophobicContact CB-CD1 3.65Å; P76-Y107 HydrophobicContact CB-CD2 4.13Å; P76-Y107 HydrophobicContact CB-CE1 3.77Å; P76-Y107 HydrophobicContact CB-CE2 4.26Å; P76-Y107 HydrophobicContact CB-CG 3.84Å; P76-Y107 HydrophobicContact CG-CD1 4.04Å; P76-Y107 HydrophobicContact CG-CE1 3.6Å; P76-Y107 HydrophobicContact CG-CE2 4.23Å; P76-R110 HydrophobicContact CB-CB 4.42Å; P76-R110 HydrophobicContact CB-CG 3.91Å
77D97.8Very high98.2Very high142 Ų14234.4 Ų34.476%0.75917%0.173SC*.THydrogen-bonded Turntrans-67.6-37.5-177-59.2-39.4000111.6K74K74-D77 WeakPolarHBondContact O-CA 3.32Å; K74-D77 WeakPolarHBondContact O-CB 3.46Å; K74-D77 PolarHBondContact O-N 3.14Å
78T98.2Very high98.2Very high38 Ų3832.4 Ų32.423%0.23316%0.164CC..SBendtrans-107.2137.6170.5-53.30000110.8T53 G72 K74 Y80T53-T78 WeakPolarHBondContact OG1-CG2 3.18Å; G72-T78 WeakPolarHBondContact O-CB 3.36Å; G72-T78 WeakPolarHBondContact O-CG2 3.47Å; G72-T78 PolarHBondContact O-OG1 3.35Å; K74-T78 PolarHBondContact O-N 3.42Å; T78-Y80 HydrophobicContact CG2-CE2 4.04Å; T78-Y80 WeakPolarHBondContact O-CD2 3.47Å
79N98.8Very high98Very high28 Ų2834 Ų3415%0.1517%0.169CC..  trans-82.5143.4173.9-55.9-41.8000110.7P51 V52 T53 R110P51-N79 WeakPolarHBondContact O-CB 3.43Å; P51-N79 PolarHBondContact O-ND2 3.43Å; V52-N79 HydrophobicContact CB-CB 4.4Å; V52-N79 HydrophobicContact CG2-CB 4.26Å; T53-N79 PolarHBondContact N-O 3.48Å; N79-R110 CarbonylContact C-O 3.44Å; N79-R110 VanDerWaalsContact CA-O 3.23Å; N79-R110 WeakPolarHBondContact CA-O 3.48Å; N79-R110 WeakPolarHBondContact OD1-CD 3.36Å; N79-R110 PolarHBondContact OD1-NH1 3.21Å
80Y98.9Very high97.8Very high1 Ų133.4 Ų33.40%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-128.4147.8-176.4-81.7-82.5000113.6T53 L68 F69 G72 G73 T78 F82 R110 I111 T112T53-Y80 HydrophobicContact CG2-CD1 4.04Å; T53-Y80 HydrophobicContact CG2-CE1 3.58Å; T53-Y80 CarbonylContact O-C 3.47Å; T53-Y80 WeakPolarHBondContact O-CA 3.4Å; L68-Y80 HydrophobicContact CD2-CD1 4.48Å; L68-Y80 HydrophobicContact CD2-CE1 3.67Å; F69-Y80 HydrophobicContact CD1-CE1 4.41Å; F69-Y80 AromaticContact CD1-CE2 3.9Å; F69-Y80 HydrophobicContact CD1-CE2 3.9Å; F69-Y80 AromaticContact CD1-CZ 3.77Å; F69-Y80 HydrophobicContact CE1-CD2 4.23Å; F69-Y80 HydrophobicContact CE1-CE1 4.34Å; F69-Y80 AromaticContact CE1-CE2 3.93Å; F69-Y80 HydrophobicContact CE1-CE2 3.93Å; F69-Y80 AromaticContact CE1-CZ 4Å; G72-Y80 WeakPolarHBondContact CA-OH 3.46Å; G72-Y80 PolarHBondContact O-OH 2.83Å; G73-Y80 PolarHBondContact O-OH 3.02Å; T78-Y80 HydrophobicContact CG2-CE2 4.04Å; T78-Y80 WeakPolarHBondContact O-CD2 3.47Å; Y80-F82 AromaticContact CD1-CE2 3.83Å; Y80-F82 HydrophobicContact CD1-CE2 3.83Å; Y80-F82 HydrophobicContact CD1-CZ 4.09Å; Y80-F82 AromaticContact CG-CE2 3.93Å; Y80-F82 HydrophobicContact CG-CE2 3.93Å; Y80-R110 PolarHBondContact N-O 3.01Å; Y80-I111 CarbonylContact O-C 3.58Å; Y80-I111 VanDerWaalsContact O-CA 3.3Å; Y80-I111 WeakPolarHBondContact O-CA 3.44Å; Y80-T112 PolarHBondContact O-N 3.41Å
81L98.9Very high97.7Very high0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans-131.5110.4168.1-174.6171.5000108V48 V52 T53 V54 C55 M83 T112 L114 A157 V159 C165V48-L81 HydrophobicContact CG1-CD1 4.48Å; V48-L81 HydrophobicContact CG2-CD1 4.23Å; V52-L81 HydrophobicContact CG2-CB 3.9Å; T53-L81 PolarHBondContact O-N 2.93Å; V54-L81 CarbonylContact C-O 3.55Å; V54-L81 WeakPolarHBondContact CA-O 3.48Å; V54-L81 HydrophobicContact CG1-CD2 4.36Å; V54-L81 HydrophobicContact CG2-CB 4.4Å; C55-L81 PolarHBondContact N-O 3Å; L81-M83 HydrophobicContact CD2-CG 3.7Å; L81-T112 WeakPolarHBondContact CA-O 3.49Å; L81-T112 HydrophobicContact CG-CG2 4.46Å; L81-L114 HydrophobicContact CD2-CD1 4.03Å; L81-L114 HydrophobicContact CD2-CG 4.38Å; L81-A157 HydrophobicContact CD1-CB 3.77Å; L81-A157 HydrophobicContact CG-CB 4.41Å; L81-V159 HydrophobicContact CD1-CG2 3.74Å; L81-C165 HydrophobicContact CD1-CB 4.05Å; L81-C165 HydrophobicContact CD2-CB 4.05Å
82F98.9Very high97.7Very high0 Ų028.7 Ų28.70%015%0.147CC..EExtended strand (participates in β ladder)trans-99.1135173.7-68.7-101000110.9C55 V58 L65 L68 F69 Y80 Y86 L100 I111 T112 I113 L114C55-F82 HydrophobicContact CB-CD1 3.44Å; C55-F82 VanDerWaalsContact CB-CD1 3.44Å; C55-F82 HydrophobicContact CB-CE1 3.58Å; C55-F82 HydrophobicContact CB-CG 3.97Å; C55-F82 HydrophobicContact CB-CZ 4.21Å; V58-F82 HydrophobicContact CG2-CD1 4.06Å; V58-F82 HydrophobicContact CG2-CE1 4.11Å; L65-F82 HydrophobicContact CD1-CE1 3.86Å; L65-F82 HydrophobicContact CD1-CZ 3.98Å; L68-F82 HydrophobicContact CD1-CE1 4.18Å; L68-F82 HydrophobicContact CD2-CE1 4.47Å; L68-F82 HydrophobicContact CD2-CZ 4.15Å; F69-F82 HydrophobicContact CE1-CE2 4.48Å; F69-F82 HydrophobicContact CE1-CZ 4.09Å; F69-F82 HydrophobicContact CZ-CZ 4.14Å; Y80-F82 AromaticContact CD1-CE2 3.83Å; Y80-F82 HydrophobicContact CD1-CE2 3.83Å; Y80-F82 HydrophobicContact CD1-CZ 4.09Å; Y80-F82 AromaticContact CG-CE2 3.93Å; Y80-F82 HydrophobicContact CG-CE2 3.93Å; F82-Y86 HydrophobicContact CB-CE1 3.65Å; F82-Y86 HydrophobicContact CG-CE1 4.34Å; F82-Y86 PolarHBondContact O-OH 2.92Å; F82-L100 HydrophobicContact CD1-CD1 4.5Å; F82-L100 HydrophobicContact CD2-CD2 4.22Å; F82-L100 HydrophobicContact CE1-CD2 4.24Å; F82-L100 HydrophobicContact CE2-CD2 3.82Å; F82-L100 HydrophobicContact CZ-CD2 3.85Å; F82-I111 HydrophobicContact CD2-CD1 3.97Å; F82-I111 HydrophobicContact CD2-CG1 4.17Å; F82-I111 HydrophobicContact CE2-CD1 3.81Å; F82-I111 HydrophobicContact CE2-CG1 4.33Å; F82-T112 PolarHBondContact N-O 2.83Å; F82-I113 HydrophobicContact CB-CG2 4.46Å; F82-L114 WeakPolarHBondContact O-CB 3.25Å; F82-L114 PolarHBondContact O-N 2.83Å
83M98.9Very high97.8Very high0 Ų028.5 Ų28.50%015%0.145CC..  trans-90.63-171.6-65.6-174.5-7200114.9V54 C55 L81 L114 C165 H167 A240 I259V54-M83 HydrophobicContact CG1-CE 3.75Å; V54-M83 HydrophobicContact CG1-CG 4.31Å; V54-M83 HydrophobicContact CG1-SD 3.91Å; C55-M83 WeakPolarHBondContact O-CG 3.21Å; C55-M83 PolarHBondContact O-N 2.96Å; L81-M83 HydrophobicContact CD2-CG 3.7Å; M83-L114 HydrophobicContact CG-CD1 4.44Å; M83-C165 HydrophobicContact SD-CB 4.29Å; M83-H167 WeakPolarHBondContact O-CA 3.17Å; M83-H167 WeakPolarHBondContact O-CB 3.37Å; M83-H167 PolarHBondContact O-ND1 3.31Å; M83-A240 HydrophobicContact CB-CB 3.99Å; M83-A240 HydrophobicContact CE-CB 3.92Å; M83-I259 HydrophobicContact CE-CB 3.94Å; M83-I259 HydrophobicContact CE-CD1 4.07Å; M83-I259 HydrophobicContact CE-CG1 4.44Å
84G98.8Very high97.8Very high0 Ų027.4 Ų27.40%013%0.134CC..SBendtrans121.2-170.3178.300000113.3
85D98.9Very high97.9Very high1 Ų120.8 Ų20.81%0.00511%0.106CC..  trans5458.6178.1-76.38.5000112.3D57 V58 H59 G116 N117 H118 E119 H167D57-D85 HydrophobicContact CB-CB 4.07Å; V58-D85 PolarHBondContact N-O 3.4Å; H59-D85 IonicContact CE1-OD2 2.96Å; H59-D85 PolarHBondContact CE1-OD2 3.11Å; H59-D85 PolarHBondContact N-O 3.11Å; H59-D85 IonicContact NE2-OD2 3.96Å; D85-G116 WeakPolarHBondContact OD1-CA 3.47Å; D85-N117 PolarHBondContact OD1-N 3.43Å; D85-N117 PolarHBondContact OD1-OD1 2.99Å; D85-N117 PolarHBondContact OD2-OD1 3.11Å; D85-H118 WeakPolarHBondContact OD1-CB 3.26Å; D85-H118 IonicContact OD1-CD2 3.57Å; D85-H118 IonicContact OD1-CG 3.95Å; D85-H118 PolarHBondContact OD1-N 3.25Å; D85-H118 IonicContact OD2-CD2 3.14Å; D85-H118 PolarHBondContact OD2-CD2 3.27Å; D85-E119 PolarHBondContact N-OE2 2.86Å; D85-H167 IonicContact OD1-CD2 2.83Å; D85-H167 IonicContact OD1-CE1 3.68Å; D85-H167 IonicContact OD1-NE2 3.42Å; D85-H167 PolarHBondContact OD1-NE2 3Å; D85-H167 VanDerWaalsContact OD1-NE2 3.15Å; D85-H167 IonicContact OD2-CE1 2.83Å; D85-H167 PolarHBondContact OD2-CE1 2.85Å; D85-H167 IonicContact OD2-NE2 3.94Å; D85-H167 PolarHBondContact OD2-NE2 2.93Å
86Y98.9Very high98.1Very high3 Ų319.9 Ų19.91%0.01210%0.099CC..  trans-79.8-32.4177.5-48.8-59.8000112.1G60 F82 T96 V97 L100 I113 L114 E119 L153G60-Y86 PolarHBondContact N-O 2.74Å; F82-Y86 HydrophobicContact CB-CE1 3.65Å; F82-Y86 HydrophobicContact CG-CE1 4.34Å; F82-Y86 PolarHBondContact O-OH 2.92Å; Y86-T96 WeakPolarHBondContact O-CG2 3.29Å; Y86-V97 HydrophobicContact CD2-CG2 4.49Å; Y86-L100 HydrophobicContact CD1-CD1 3.3Å; Y86-L100 HydrophobicContact CE1-CD1 3.77Å; Y86-L100 HydrophobicContact CG-CD1 4.07Å; Y86-I113 HydrophobicContact CE1-CG2 4.4Å; Y86-I113 HydrophobicContact CE2-CB 4.47Å; Y86-I113 VanDerWaalsContact OH-C 3.28Å; Y86-I113 VanDerWaalsContact OH-CA 3.26Å; Y86-I113 WeakPolarHBondContact OH-CA 3.45Å; Y86-I113 WeakPolarHBondContact OH-CB 3.32Å; Y86-L114 VanDerWaalsContact CE2-O 3.24Å; Y86-L114 WeakPolarHBondContact CE2-O 3.44Å; Y86-L114 VanDerWaalsContact CZ-O 3.29Å; Y86-L114 PolarHBondContact OH-N 2.83Å; Y86-L114 PolarHBondContact OH-O 2.77Å; Y86-E119 VanDerWaalsContact CD2-CD 3.47Å; Y86-E119 HydrophobicContact CD2-CG 3.83Å; Y86-E119 VanDerWaalsContact CD2-OE1 3.27Å; Y86-E119 WeakPolarHBondContact CD2-OE1 3.37Å; Y86-E119 HydrophobicContact CE2-CG 4.21Å; Y86-E119 PolarHBondContact N-OE1 2.98Å; Y86-L153 HydrophobicContact CE2-CD1 4.25Å
87V98.8Very high98.1Very high0 Ų018.2 Ų18.20%09%0.088CC..SBendtrans-111.1179.2-170.4-590000112.1H59 V97 H118 E119 T124 F129 F150H59-V87 PolarHBondContact ND1-O 3Å; V87-V97 HydrophobicContact CG1-CB 3.75Å; V87-V97 HydrophobicContact CG1-CG1 3.95Å; V87-V97 HydrophobicContact CG1-CG2 4.13Å; V87-H118 HydrophobicContact CG2-CB 4.35Å; V87-E119 PolarHBondContact N-OE1 2.91Å; V87-T124 HydrophobicContact CG2-CG2 3.82Å; V87-F129 HydrophobicContact CB-CB 4.06Å; V87-F129 HydrophobicContact CB-CD1 4.29Å; V87-F129 HydrophobicContact CB-CD2 3.96Å; V87-F129 HydrophobicContact CB-CE2 4.44Å; V87-F129 HydrophobicContact CB-CG 3.85Å; V87-F129 HydrophobicContact CG1-CD1 4.28Å; V87-F129 HydrophobicContact CG1-CD2 3.88Å; V87-F129 HydrophobicContact CG1-CE1 4.26Å; V87-F129 HydrophobicContact CG1-CE2 3.85Å; V87-F129 HydrophobicContact CG1-CG 4.08Å; V87-F129 HydrophobicContact CG1-CZ 4.04Å; V87-F129 HydrophobicContact CG2-CB 4.26Å; V87-F129 HydrophobicContact CG2-CD1 4.27Å; V87-F129 HydrophobicContact CG2-CG 4.2Å; V87-F150 HydrophobicContact CG1-CZ 4.13Å; V87-F150 HydrophobicContact CG2-CE2 4.45Å; V87-F150 HydrophobicContact CG2-CZ 4.45Å
88D98.3Very high98.2Very high0 Ų011.5 Ų11.50%05%0.052CC..SBendtrans66165.3-177.5-67.9-37.4000114.3H59 G90 S93 H118 T124 Y127 G128 F129H59-D88 CarbonylContact C-O 3.53Å; H59-D88 WeakPolarHBondContact CA-O 3.36Å; H59-D88 WeakPolarHBondContact CB-O 3.21Å; D88-G90 PolarHBondContact O-N 3.45Å; D88-S93 PolarHBondContact N-OG 3.42Å; D88-H118 VanDerWaalsContact CB-ND1 3.31Å; D88-H118 WeakPolarHBondContact CB-ND1 3.33Å; D88-H118 IonicContact OD2-CE1 2.83Å; D88-H118 IonicContact OD2-CG 3.9Å; D88-H118 IonicContact OD2-ND1 2.89Å; D88-H118 PolarHBondContact OD2-ND1 3.09Å; D88-T124 WeakPolarHBondContact OD2-CA 3.28Å; D88-Y127 WeakPolarHBondContact CB-O 3.24Å; D88-G128 PolarHBondContact OD1-N 3.18Å; D88-F129 WeakPolarHBondContact OD1-CB 3.46Å; D88-F129 PolarHBondContact OD1-N 2.94Å
89R94.7Very high98.2Very high33 Ų339.7 Ų9.713%0.1254%0.041CC..SBendtrans64.2-65.8-176.5-46.4-61.1-171.1153.94.4113.1H59 Y127 Y265 Y307 F308 L309H59-R89 HydrophobicContact CB-CB 4.3Å; R89-Y127 PolarHBondContact N-O 2.67Å; R89-Y265 HydrophobicContact CB-CE2 4.37Å; R89-Y265 HydrophobicContact CG-CE2 4.2Å; R89-Y265 WeakPolarHBondContact CG-OH 3.32Å; R89-Y307 WeakPolarHBondContact CD-O 3.3Å; R89-Y307 PolarHBondContact NH1-O 3.45Å; R89-F308 WeakPolarHBondContact O-CE1 3.42Å; R89-F308 WeakPolarHBondContact O-CZ 3.46Å; R89-L309 PolarHBondContact NH1-O 2.57Å
90G94.5Very high98.2Very high3 Ų38.4 Ų8.43%0.0313%0.034CC..SBendtrans-65.5163.4-178.100000114.4H59 D88 Y92 S93 Y267H59-G90 WeakPolarHBondContact O-CA 3.38Å; H59-G90 PolarHBondContact O-N 2.91Å; D88-G90 PolarHBondContact O-N 3.45Å; G90-Y92 VanDerWaalsContact C-N 3.32Å; G90-Y92 PolarHBondContact O-N 2.99Å; G90-S93 PolarHBondContact O-OG 2.76Å; G90-Y267 WeakPolarHBondContact CA-OH 3.18Å
91Y95Very high98.2Very high65 Ų658.6 Ų8.626%0.2554%0.035SC..THydrogen-bonded Turntrans-79.6-11.5-177.2-64.8-62.8000115Y267 F308Y91-Y267 HydrophobicContact CD2-CD2 4.12Å; Y91-Y267 AromaticContact CD2-CE2 3.29Å; Y91-Y267 HydrophobicContact CD2-CE2 3.29Å; Y91-Y267 AromaticContact CD2-CZ 3.67Å; Y91-Y267 AromaticContact CE2-CD2 3.65Å; Y91-Y267 HydrophobicContact CE2-CD2 3.65Å; Y91-Y267 AromaticContact CE2-CE2 3.3Å; Y91-Y267 HydrophobicContact CE2-CE2 3.3Å; Y91-Y267 HydrophobicContact CG-CE2 4.15Å; Y91-Y267 PolarHBondContact N-OH 3.13Å; Y91-Y267 VanDerWaalsContact N-OH 3.12Å; Y91-F308 HydrophobicContact CD1-CE2 4.48Å; Y91-F308 HydrophobicContact CD1-CZ 4.07Å; Y91-F308 HydrophobicContact CD2-CZ 4.47Å; Y91-F308 AromaticContact CE1-CE2 3.59Å; Y91-F308 HydrophobicContact CE1-CE2 3.59Å; Y91-F308 AromaticContact CE1-CZ 3.51Å; Y91-F308 HydrophobicContact CE1-CZ 3.51Å; Y91-F308 AromaticContact CE2-CZ 3.97Å; Y91-F308 HydrophobicContact CE2-CZ 3.97Å; Y91-F308 AromaticContact CZ-CE2 3.61Å; Y91-F308 AromaticContact CZ-CZ 3.45Å; Y91-F308 VanDerWaalsContact CZ-CZ 3.45Å; Y91-F308 WeakPolarHBondContact OH-CE2 3.35Å
92Y98.2Very high98.2Very high59 Ų598.6 Ų8.623%0.2314%0.035CC..THydrogen-bonded Turntrans-129.838.4-168.6-55.2-81.4000111.8G60 F62 H63 G90 V94 E95 T96 E132G60-Y92 CarbonylContact O-C 3.53Å; G60-Y92 WeakPolarHBondContact O-CA 3.22Å; G60-Y92 WeakPolarHBondContact O-CB 3.18Å; G60-Y92 PolarHBondContact O-N 3.38Å; F62-Y92 HydrophobicContact CB-CD2 4.45Å; F62-Y92 HydrophobicContact CB-CG 4.14Å; H63-Y92 AromaticContact NE2-CE2 3.96Å; G90-Y92 VanDerWaalsContact C-N 3.32Å; G90-Y92 PolarHBondContact O-N 2.99Å; Y92-V94 VanDerWaalsContact C-N 3.26Å; Y92-V94 PolarHBondContact O-N 3.31Å; Y92-E95 VanDerWaalsContact CA-OE2 3.29Å; Y92-E95 WeakPolarHBondContact CA-OE2 3.44Å; Y92-E95 WeakPolarHBondContact CB-OE2 3.33Å; Y92-E95 PolarHBondContact O-N 2.82Å; Y92-T96 VanDerWaalsContact O-CB 3.28Å; Y92-T96 WeakPolarHBondContact O-CB 3.49Å; Y92-T96 PolarHBondContact O-N 2.93Å; Y92-T96 PolarHBondContact O-OG1 3.17Å; Y92-E132 WeakPolarHBondContact CA-OE1 3.44Å
93S98.8Very high98.2Very high0 Ų09 Ų90%04%0.038CC..Hα-helixtrans-59-39.7176.4-550000111.3D88 G90 T96 V97 E132D88-S93 PolarHBondContact N-OG 3.42Å; G90-S93 PolarHBondContact O-OG 2.76Å; S93-T96 PolarHBondContact O-N 2.77Å; S93-V97 VanDerWaalsContact O-CG1 3.29Å; S93-V97 WeakPolarHBondContact O-CG1 3.46Å; S93-V97 PolarHBondContact O-N 3.47Å; S93-E132 WeakPolarHBondContact CA-OE2 3.24Å; S93-E132 WeakPolarHBondContact CB-OE2 3.41Å; S93-E132 VanDerWaalsContact N-CD 3.34Å; S93-E132 PolarHBondContact N-OE1 2.87Å; S93-E132 PolarHBondContact N-OE2 2.84Å; S93-E132 PolarHBondContact OG-OE2 3.03Å; S93-E132 VanDerWaalsContact OG-OE2 3.07Å
94V98.8Very high98.2Very high0 Ų09.1 Ų9.10%04%0.038CC..Hα-helixtrans-58.5-54.4177.5167.90000110.8Q22 Y92 T96 T98 F129 E132 K136 Y137Q22-V94 HydrophobicContact CB-CG1 4.01Å; Y92-V94 VanDerWaalsContact C-N 3.26Å; Y92-V94 PolarHBondContact O-N 3.31Å; V94-T96 VanDerWaalsContact C-N 3.32Å; V94-T96 PolarHBondContact O-N 2.85Å; V94-T98 WeakPolarHBondContact O-CB 3.5Å; V94-T98 PolarHBondContact O-N 3.01Å; V94-T98 PolarHBondContact O-OG1 2.61Å; V94-F129 HydrophobicContact CG2-CE2 3.94Å; V94-E132 WeakPolarHBondContact CB-OE1 3.39Å; V94-E132 HydrophobicContact CG2-CG 4.04Å; V94-E132 WeakPolarHBondContact CG2-OE1 3.35Å; V94-E132 PolarHBondContact N-OE1 3.2Å; V94-K136 HydrophobicContact CB-CD 3.95Å; V94-K136 HydrophobicContact CG1-CD 4.25Å; V94-K136 HydrophobicContact CG2-CD 3.95Å; V94-Y137 HydrophobicContact CG1-CE2 3.75Å; V94-Y137 WeakPolarHBondContact CG1-OH 3.49Å; V94-Y137 HydrophobicContact CG2-CE2 4.25Å
95E98.9Very high98.2Very high8 Ų89.9 Ų9.94%0.0374%0.043CC..Hα-helixtrans-65.9-38.2-178.8-63.780-17700111.2Q22 F62 Y92 L99 K136Q22-E95 HydrophobicContact CB-CG 4.49Å; F62-E95 HydrophobicContact CD2-CB 3.67Å; F62-E95 HydrophobicContact CE2-CB 3.94Å; F62-E95 HydrophobicContact CG-CB 4.3Å; Y92-E95 VanDerWaalsContact CA-OE2 3.29Å; Y92-E95 WeakPolarHBondContact CA-OE2 3.44Å; Y92-E95 WeakPolarHBondContact CB-OE2 3.33Å; Y92-E95 PolarHBondContact O-N 2.82Å; E95-L99 VanDerWaalsContact O-CB 3.26Å; E95-L99 WeakPolarHBondContact O-CB 3.42Å; E95-L99 PolarHBondContact O-N 2.8Å; E95-K136 WeakPolarHBondContact OE1-CE 3.45Å; E95-K136 IonicContact OE1-NZ 2.72Å; E95-K136 PolarHBondContact OE1-NZ 3.07Å; E95-K136 IonicContact OE2-NZ 2.67Å; E95-K136 PolarHBondContact OE2-NZ 2.79Å
96T98.9Very high98.2Very high0 Ų012.8 Ų12.80%05%0.054CC..Hα-helixtrans-60.7-57.4179.7-59.10000111.3V58 L65 Y86 Y92 S93 V94 T98 L99 L100V58-T96 HydrophobicContact CB-CG2 4.35Å; V58-T96 HydrophobicContact CG1-CG2 3.6Å; L65-T96 HydrophobicContact CD2-CG2 3.98Å; Y86-T96 WeakPolarHBondContact O-CG2 3.29Å; Y92-T96 VanDerWaalsContact O-CB 3.28Å; Y92-T96 WeakPolarHBondContact O-CB 3.49Å; Y92-T96 PolarHBondContact O-N 2.93Å; Y92-T96 PolarHBondContact O-OG1 3.17Å; S93-T96 PolarHBondContact O-N 2.77Å; V94-T96 VanDerWaalsContact C-N 3.32Å; V94-T96 PolarHBondContact O-N 2.85Å; T96-T98 PolarHBondContact O-N 2.94Å; T96-L99 PolarHBondContact O-N 3.11Å; T96-L100 HydrophobicContact CG2-CD1 4.47Å; T96-L100 WeakPolarHBondContact O-CG 3.11Å; T96-L100 PolarHBondContact O-N 3.05Å; T96-L100 VanDerWaalsContact O-N 3.14Å
97V98.9Very high98.2Very high2 Ų214.8 Ų14.81%0.0126%0.062CC..Hα-helixtrans-68.4-36.7-178.774.60000111.8Y86 V87 S93 L99 L100 V101 F129 F146 F150Y86-V97 HydrophobicContact CD2-CG2 4.49Å; V87-V97 HydrophobicContact CG1-CB 3.75Å; V87-V97 HydrophobicContact CG1-CG1 3.95Å; V87-V97 HydrophobicContact CG1-CG2 4.13Å; S93-V97 VanDerWaalsContact O-CG1 3.29Å; S93-V97 WeakPolarHBondContact O-CG1 3.46Å; S93-V97 PolarHBondContact O-N 3.47Å; V97-L99 VanDerWaalsContact C-N 3.33Å; V97-L99 PolarHBondContact O-N 2.69Å; V97-L100 PolarHBondContact O-N 2.78Å; V97-V101 HydrophobicContact CG2-CG2 4.29Å; V97-V101 WeakPolarHBondContact O-CB 3.37Å; V97-V101 VanDerWaalsContact O-CG2 3.25Å; V97-V101 WeakPolarHBondContact O-CG2 3.42Å; V97-V101 PolarHBondContact O-N 3.3Å; V97-F129 HydrophobicContact CG1-CE2 4.16Å; V97-F129 HydrophobicContact CG1-CZ 4.06Å; V97-F146 HydrophobicContact CG1-CD1 4.01Å; V97-F146 HydrophobicContact CG1-CD2 4.36Å; V97-F146 HydrophobicContact CG1-CE1 3.81Å; V97-F146 HydrophobicContact CG1-CE2 4.14Å; V97-F146 HydrophobicContact CG1-CG 4.3Å; V97-F146 HydrophobicContact CG1-CZ 3.88Å; V97-F146 HydrophobicContact CG2-CD1 4.29Å; V97-F146 HydrophobicContact CG2-CE1 4.38Å; V97-F150 HydrophobicContact CG2-CE1 3.85Å; V97-F150 HydrophobicContact CG2-CZ 4.21Å
98T98.9Very high98.1Very high0 Ų017 Ų170%08%0.076CC..Hα-helixtrans-63.5-40.6177.6-52.10000111L17 L23 L31 V94 T96 A102 F146L17-T98 HydrophobicContact CD1-CG2 3.76Å; L17-T98 HydrophobicContact CD2-CG2 3.75Å; L17-T98 HydrophobicContact CG-CG2 4.39Å; L23-T98 HydrophobicContact CB-CG2 4.36Å; L23-T98 HydrophobicContact CD1-CG2 3.61Å; L23-T98 HydrophobicContact CG-CG2 3.81Å; L31-T98 HydrophobicContact CD2-CG2 3.75Å; V94-T98 WeakPolarHBondContact O-CB 3.5Å; V94-T98 PolarHBondContact O-N 3.01Å; V94-T98 PolarHBondContact O-OG1 2.61Å; T96-T98 PolarHBondContact O-N 2.94Å; T98-A102 WeakPolarHBondContact O-CB 3.3Å; T98-A102 PolarHBondContact O-N 3.3Å; T98-F146 HydrophobicContact CG2-CZ 4.47Å; T98-F146 VanDerWaalsContact OG1-CZ 3.28Å; T98-F146 WeakPolarHBondContact OG1-CZ 3.36Å
99L98.9Very high98.1Very high1 Ų125.1 Ų25.11%0.00511%0.114CC..Hα-helixtrans-65.2-48.4177.3178.560.7000111.9V14 L17 F62 L65 M66 F69 E95 T96 V97 V101 A102 L103V14-L99 HydrophobicContact CG1-CD1 4.26Å; L17-L99 HydrophobicContact CB-CB 4.23Å; L17-L99 HydrophobicContact CB-CD1 3.9Å; F62-L99 HydrophobicContact CE2-CB 4.44Å; F62-L99 HydrophobicContact CE2-CD2 3.82Å; F62-L99 HydrophobicContact CZ-CD2 4.22Å; L65-L99 HydrophobicContact CD2-CD2 4.35Å; M66-L99 HydrophobicContact CE-CD2 3.35Å; F69-L99 HydrophobicContact CE2-CD2 4.29Å; E95-L99 VanDerWaalsContact O-CB 3.26Å; E95-L99 WeakPolarHBondContact O-CB 3.42Å; E95-L99 PolarHBondContact O-N 2.8Å; T96-L99 PolarHBondContact O-N 3.11Å; V97-L99 VanDerWaalsContact C-N 3.33Å; V97-L99 PolarHBondContact O-N 2.69Å; L99-V101 VanDerWaalsContact C-N 3.34Å; L99-V101 PolarHBondContact O-N 2.92Å; L99-A102 PolarHBondContact O-N 3.18Å; L99-L103 HydrophobicContact CD1-CD1 4.28Å; L99-L103 HydrophobicContact CD1-CG 4.24Å; L99-L103 HydrophobicContact CG-CD1 4.21Å; L99-L103 WeakPolarHBondContact O-CG 3.28Å; L99-L103 PolarHBondContact O-N 3.47Å
100L98.9Very high98.2Very high1 Ų128.9 Ų28.91%0.00513%0.128CC..Hα-helixtrans-63.2-40.6-179.4-66.6175.2000111.8L65 F69 F82 Y86 T96 V97 L103 K104 I111 I113L65-L100 HydrophobicContact CD1-CD2 4.41Å; L65-L100 HydrophobicContact CD2-CD2 4.22Å; L65-L100 HydrophobicContact CD2-CG 4.25Å; F69-L100 HydrophobicContact CZ-CD2 4.2Å; F82-L100 HydrophobicContact CD1-CD1 4.5Å; F82-L100 HydrophobicContact CD2-CD2 4.22Å; F82-L100 HydrophobicContact CE1-CD2 4.24Å; F82-L100 HydrophobicContact CE2-CD2 3.82Å; F82-L100 HydrophobicContact CZ-CD2 3.85Å; Y86-L100 HydrophobicContact CD1-CD1 3.3Å; Y86-L100 HydrophobicContact CE1-CD1 3.77Å; Y86-L100 HydrophobicContact CG-CD1 4.07Å; T96-L100 HydrophobicContact CG2-CD1 4.47Å; T96-L100 WeakPolarHBondContact O-CG 3.11Å; T96-L100 PolarHBondContact O-N 3.05Å; T96-L100 VanDerWaalsContact O-N 3.14Å; V97-L100 PolarHBondContact O-N 2.78Å; L100-L103 PolarHBondContact O-N 3.27Å; L100-K104 PolarHBondContact O-N 3.48Å; L100-I111 HydrophobicContact CD2-CD1 4.04Å; L100-I113 HydrophobicContact CB-CG2 4.38Å
101V98.9Very high98.4Very high4 Ų428.7 Ų28.72%0.02413%0.126CC..Hα-helixtrans-67.8-40.3174.5176.30000111.4L31 A35 V97 L99 L103 K104 V105 I113 L149L31-V101 HydrophobicContact CD1-CG1 4.21Å; L31-V101 HydrophobicContact CD2-CB 4.34Å; L31-V101 HydrophobicContact CD2-CG1 4.07Å; L31-V101 HydrophobicContact CG-CG1 3.84Å; A35-V101 HydrophobicContact CB-CG1 3.6Å; V97-V101 HydrophobicContact CG2-CG2 4.29Å; V97-V101 WeakPolarHBondContact O-CB 3.37Å; V97-V101 VanDerWaalsContact O-CG2 3.25Å; V97-V101 WeakPolarHBondContact O-CG2 3.42Å; V97-V101 PolarHBondContact O-N 3.3Å; L99-V101 VanDerWaalsContact C-N 3.34Å; L99-V101 PolarHBondContact O-N 2.92Å; V101-L103 VanDerWaalsContact C-N 3.33Å; V101-L103 PolarHBondContact O-N 2.87Å; V101-K104 WeakPolarHBondContact O-CB 3.12Å; V101-K104 PolarHBondContact O-N 3.14Å; V101-K104 VanDerWaalsContact O-N 3.15Å; V101-V105 HydrophobicContact CG1-CG2 4.42Å; V101-V105 WeakPolarHBondContact O-CG2 3.34Å; V101-V105 PolarHBondContact O-N 3.1Å; V101-I113 HydrophobicContact CG2-CD1 4.15Å; V101-L149 HydrophobicContact CB-CD2 4.45Å; V101-L149 HydrophobicContact CG1-CD2 3.77Å; V101-L149 HydrophobicContact CG2-CD2 3.78Å
102A98.9Very high98.6Very high0 Ų026.2 Ų26.20%012%0.118CC..Hα-helixtrans-60.4-42.8174.900000111.8L10 V14 L17 L31 T98 L99 V105 R106L10-A102 HydrophobicContact CD1-CB 4.35Å; V14-A102 HydrophobicContact CG2-CB 3.92Å; L17-A102 HydrophobicContact CD1-CB 3.91Å; L31-A102 HydrophobicContact CD1-CB 4.23Å; L31-A102 HydrophobicContact CD2-CB 4.2Å; T98-A102 WeakPolarHBondContact O-CB 3.3Å; T98-A102 PolarHBondContact O-N 3.3Å; L99-A102 PolarHBondContact O-N 3.18Å; A102-V105 PolarHBondContact O-N 3.15Å; A102-R106 WeakPolarHBondContact O-CB 2.95Å; A102-R106 PolarHBondContact O-N 3.03Å
103L98.8Very high98.7Very high9 Ų923.5 Ų23.55%0.04711%0.107CC..Hα-helixtrans-62.9-40.7173-69.1172.4000111.6V14 F69 L99 L100 V101 R106 Y107 I111V14-L103 HydrophobicContact CG1-CD2 4.13Å; V14-L103 HydrophobicContact CG2-CD2 4.44Å; F69-L103 HydrophobicContact CE2-CD1 4.48Å; F69-L103 HydrophobicContact CZ-CD1 4.04Å; L99-L103 HydrophobicContact CD1-CD1 4.28Å; L99-L103 HydrophobicContact CD1-CG 4.24Å; L99-L103 HydrophobicContact CG-CD1 4.21Å; L99-L103 WeakPolarHBondContact O-CG 3.28Å; L99-L103 PolarHBondContact O-N 3.47Å; L100-L103 PolarHBondContact O-N 3.27Å; V101-L103 VanDerWaalsContact C-N 3.33Å; V101-L103 PolarHBondContact O-N 2.87Å; L103-R106 PolarHBondContact O-N 3.33Å; L103-Y107 HydrophobicContact CD2-CD2 4.12Å; L103-Y107 HydrophobicContact CD2-CE2 4.16Å; L103-Y107 WeakPolarHBondContact O-CA 3.41Å; L103-Y107 PolarHBondContact O-N 3.12Å; L103-I111 HydrophobicContact CB-CD1 4.15Å; L103-I111 HydrophobicContact CB-CG2 4.16Å; L103-I111 HydrophobicContact CD1-CD1 4.39Å
104K98.8Very high98.7Very high2 Ų223.5 Ų23.51%0.00911%0.107CC..Hα-helixtrans-61.7-45.6175.6-179.961.8-179.4177.80112.6L39 E42 L100 V101 R106 P108 I111 I113L39-K104 HydrophobicContact CD2-CG 4.42Å; E42-K104 WeakPolarHBondContact OE1-CE 3.45Å; E42-K104 IonicContact OE1-NZ 3.64Å; E42-K104 PolarHBondContact OE1-NZ 3.42Å; E42-K104 IonicContact OE2-NZ 2.61Å; L100-K104 PolarHBondContact O-N 3.48Å; V101-K104 WeakPolarHBondContact O-CB 3.12Å; V101-K104 PolarHBondContact O-N 3.14Å; V101-K104 VanDerWaalsContact O-N 3.15Å; K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 3.07Å; K104-P108 PolarHBondContact NZ-O 2.93Å; K104-P108 WeakPolarHBondContact O-CA 3.48Å; K104-I111 VanDerWaalsContact CA-CG2 3.42Å; K104-I111 HydrophobicContact CB-CG2 4.04Å; K104-I111 HydrophobicContact CD-CG2 4.17Å; K104-I111 WeakPolarHBondContact CD-O 3.32Å; K104-I111 PolarHBondContact NZ-O 3.1Å; K104-I113 HydrophobicContact CB-CD1 3.91Å; K104-I113 HydrophobicContact CB-CG1 4.35Å; K104-I113 HydrophobicContact CD-CG1 4.39Å; K104-I113 HydrophobicContact CG-CD1 4.02Å; K104-I113 HydrophobicContact CG-CG1 4.17Å
105V98.8Very high98.7Very high16 Ų1623.5 Ų23.510%0.09711%0.107CC..Hα-helixtrans-66.3-36.9177.4177.90000110.8F6 L10 L31 K34 A35 I38 V101 A102F6-V105 HydrophobicContact CE1-CG1 4.21Å; F6-V105 HydrophobicContact CZ-CG1 4.47Å; L10-V105 HydrophobicContact CD2-CB 4.05Å; L10-V105 HydrophobicContact CD2-CG1 3.64Å; L31-V105 HydrophobicContact CD1-CB 4.07Å; L31-V105 HydrophobicContact CD1-CG2 3.75Å; K34-V105 HydrophobicContact CB-CG1 3.9Å; K34-V105 HydrophobicContact CB-CG2 4.34Å; A35-V105 HydrophobicContact CB-CG2 3.7Å; I38-V105 HydrophobicContact CD1-CB 4.28Å; I38-V105 HydrophobicContact CD1-CG1 4.26Å; I38-V105 HydrophobicContact CD1-CG2 4.23Å; V101-V105 HydrophobicContact CG1-CG2 4.42Å; V101-V105 WeakPolarHBondContact O-CG2 3.34Å; V101-V105 PolarHBondContact O-N 3.1Å; A102-V105 PolarHBondContact O-N 3.15Å
106R98.3Very high98.7Very high63 Ų6323.1 Ų23.124%0.23811%0.105CC..Hα-helixtrans-78-36.3-175.7-176.855.5-174.278.65.7113.6L10 D11 A102 L103 K104L10-R106 HydrophobicContact CD2-CB 3.57Å; L10-R106 HydrophobicContact CD2-CG 4.25Å; L10-R106 HydrophobicContact CG-CB 4Å; L10-R106 HydrophobicContact CG-CG 4.47Å; D11-R106 IonicContact OD1-CZ 3.44Å; D11-R106 IonicContact OD1-NE 2.7Å; D11-R106 PolarHBondContact OD1-NE 2.94Å; D11-R106 IonicContact OD1-NH2 3.31Å; D11-R106 PolarHBondContact OD1-NH2 2.83Å; D11-R106 IonicContact OD2-NE 3.87Å; D11-R106 IonicContact OD2-NH2 3.7Å; A102-R106 WeakPolarHBondContact O-CB 2.95Å; A102-R106 PolarHBondContact O-N 3.03Å; L103-R106 PolarHBondContact O-N 3.33Å; K104-R106 VanDerWaalsContact C-N 3.29Å; K104-R106 PolarHBondContact O-N 3.07Å
107Y98.3Very high98.7Very high45 Ų4523.2 Ų23.218%0.17611%0.106CC..  trans-136.765.2-173.2-51.9-67.7000110.2P76 L103 E109 R110 I111P76-Y107 HydrophobicContact CB-CD1 3.65Å; P76-Y107 HydrophobicContact CB-CD2 4.13Å; P76-Y107 HydrophobicContact CB-CE1 3.77Å; P76-Y107 HydrophobicContact CB-CE2 4.26Å; P76-Y107 HydrophobicContact CB-CG 3.84Å; P76-Y107 HydrophobicContact CG-CD1 4.04Å; P76-Y107 HydrophobicContact CG-CE1 3.6Å; P76-Y107 HydrophobicContact CG-CE2 4.23Å; L103-Y107 HydrophobicContact CD2-CD2 4.12Å; L103-Y107 HydrophobicContact CD2-CE2 4.16Å; L103-Y107 WeakPolarHBondContact O-CA 3.41Å; L103-Y107 PolarHBondContact O-N 3.12Å; Y107-E109 PolarHBondContact O-N 2.87Å; Y107-E109 VanDerWaalsContact O-N 3.08Å; Y107-R110 PolarHBondContact O-N 2.61Å; Y107-I111 PolarHBondContact O-N 3.2Å
108P97.8Very high98.7Very high46 Ų4623.7 Ų23.730%0.29911%0.108SC..THydrogen-bonded Turntrans-58.1-30.4-169.921-33.4000114.2I38 K104I38-P108 HydrophobicContact CG2-CB 4.14Å; K104-P108 PolarHBondContact NZ-O 2.93Å; K104-P108 WeakPolarHBondContact O-CA 3.48Å
109E97.3Very high98.7Very high171 Ų17123.7 Ų23.780%0.79911%0.108SC*.THydrogen-bonded Turntrans-88.8-4.9178.5-55.3-57.8140.800113.8Y107Y107-E109 PolarHBondContact O-N 2.87Å; Y107-E109 VanDerWaalsContact O-N 3.08Å
110R98.5Very high98.6Very high111 Ų11123.8 Ų23.842%0.41911%0.109SC..THydrogen-bonded Turntrans-105.1-17.4-175.7-58-64.7-173.11693.6113.2P76 N79 Y80 Y107P76-R110 HydrophobicContact CB-CB 4.42Å; P76-R110 HydrophobicContact CB-CG 3.91Å; N79-R110 CarbonylContact C-O 3.44Å; N79-R110 VanDerWaalsContact CA-O 3.23Å; N79-R110 WeakPolarHBondContact CA-O 3.48Å; N79-R110 WeakPolarHBondContact OD1-CD 3.36Å; N79-R110 PolarHBondContact OD1-NH1 3.21Å; Y80-R110 PolarHBondContact N-O 3.01Å; Y107-R110 PolarHBondContact O-N 2.61Å
111I98.7Very high98.6Very high0 Ų026.2 Ų26.20%012%0.118CC..EExtended strand (participates in β ladder)trans-139.5130179.4-171.4170000110.3Y80 F82 L100 L103 K104 Y107 I113Y80-I111 CarbonylContact O-C 3.58Å; Y80-I111 VanDerWaalsContact O-CA 3.3Å; Y80-I111 WeakPolarHBondContact O-CA 3.44Å; F82-I111 HydrophobicContact CD2-CD1 3.97Å; F82-I111 HydrophobicContact CD2-CG1 4.17Å; F82-I111 HydrophobicContact CE2-CD1 3.81Å; F82-I111 HydrophobicContact CE2-CG1 4.33Å; L100-I111 HydrophobicContact CD2-CD1 4.04Å; L103-I111 HydrophobicContact CB-CD1 4.15Å; L103-I111 HydrophobicContact CB-CG2 4.16Å; L103-I111 HydrophobicContact CD1-CD1 4.39Å; K104-I111 VanDerWaalsContact CA-CG2 3.42Å; K104-I111 HydrophobicContact CB-CG2 4.04Å; K104-I111 HydrophobicContact CD-CG2 4.17Å; K104-I111 WeakPolarHBondContact CD-O 3.32Å; K104-I111 PolarHBondContact NZ-O 3.1Å; Y107-I111 PolarHBondContact O-N 3.2Å; I111-I113 HydrophobicContact CD1-CG2 4.37Å; I111-I113 HydrophobicContact CG1-CG2 4.25Å
112T98.9Very high98.6Very high12 Ų1230.8 Ų30.87%0.07414%0.139CC..EExtended strand (participates in β ladder)trans-109.5132170.8-57.30000108.1Q46 V48 Y80 L81 F82 L114Q46-T112 HydrophobicContact CG-CG2 4.09Å; V48-T112 HydrophobicContact CG2-CG2 4.14Å; V48-T112 WeakPolarHBondContact CG2-OG1 3.44Å; Y80-T112 PolarHBondContact O-N 3.41Å; L81-T112 WeakPolarHBondContact CA-O 3.49Å; L81-T112 HydrophobicContact CG-CG2 4.46Å; F82-T112 PolarHBondContact N-O 2.83Å; T112-L114 HydrophobicContact CG2-CD2 4Å
113I98.9Very high98.5Very high2 Ų231.7 Ų31.71%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-123.3111.5178.348.9172.8000108.3F82 Y86 L100 V101 K104 I111 L153F82-I113 HydrophobicContact CB-CG2 4.46Å; Y86-I113 HydrophobicContact CE1-CG2 4.4Å; Y86-I113 HydrophobicContact CE2-CB 4.47Å; Y86-I113 VanDerWaalsContact OH-C 3.28Å; Y86-I113 VanDerWaalsContact OH-CA 3.26Å; Y86-I113 WeakPolarHBondContact OH-CA 3.45Å; Y86-I113 WeakPolarHBondContact OH-CB 3.32Å; L100-I113 HydrophobicContact CB-CG2 4.38Å; V101-I113 HydrophobicContact CG2-CD1 4.15Å; K104-I113 HydrophobicContact CB-CD1 3.91Å; K104-I113 HydrophobicContact CB-CG1 4.35Å; K104-I113 HydrophobicContact CD-CG1 4.39Å; K104-I113 HydrophobicContact CG-CD1 4.02Å; K104-I113 HydrophobicContact CG-CG1 4.17Å; I111-I113 HydrophobicContact CD1-CG2 4.37Å; I111-I113 HydrophobicContact CG1-CG2 4.25Å; I113-L153 HydrophobicContact CB-CD2 4.35Å; I113-L153 HydrophobicContact CD1-CD2 3.78Å; I113-L153 HydrophobicContact CG1-CD2 3.8Å
114L98.9Very high98.5Very high0 Ų031.2 Ų31.20%014%0.142CC..  trans-86.6166.5177-56.6-174.9000111.3L81 F82 M83 Y86 T112 P154 A157 C165L81-L114 HydrophobicContact CD2-CD1 4.03Å; L81-L114 HydrophobicContact CD2-CG 4.38Å; F82-L114 WeakPolarHBondContact O-CB 3.25Å; F82-L114 PolarHBondContact O-N 2.83Å; M83-L114 HydrophobicContact CG-CD1 4.44Å; Y86-L114 VanDerWaalsContact CE2-O 3.24Å; Y86-L114 WeakPolarHBondContact CE2-O 3.44Å; Y86-L114 VanDerWaalsContact CZ-O 3.29Å; Y86-L114 PolarHBondContact OH-N 2.83Å; Y86-L114 PolarHBondContact OH-O 2.77Å; T112-L114 HydrophobicContact CG2-CD2 4Å; L114-P154 CarbonylContact C-O 3.54Å; L114-P154 WeakPolarHBondContact CA-O 3.35Å; L114-P154 HydrophobicContact CD2-CB 3.85Å; L114-A157 HydrophobicContact CD1-CB 4.1Å; L114-A157 HydrophobicContact CD2-CB 4.06Å; L114-C165 HydrophobicContact CD1-CB 4.46Å
115R98.9Very high98.4Very high0 Ų036 Ų360%016%0.164CC..  trans-82.4129.9173.3-158.3172.2-173.6168.86.5109.9E119 F150 D151 L153 P154 Q187 L199R115-E119 HydrophobicContact CG-CB 3.86Å; R115-E119 PolarHBondContact NE-O 3.15Å; R115-E119 PolarHBondContact NH2-O 3.35Å; R115-F150 WeakPolarHBondContact CD-O 3.37Å; R115-F150 PolarHBondContact NE-O 2.81Å; R115-D151 IonicContact CZ-OD1 3.59Å; R115-D151 IonicContact NH1-OD1 3.33Å; R115-D151 IonicContact NH2-OD1 2.67Å; R115-D151 PolarHBondContact NH2-OD1 2.8Å; R115-L153 HydrophobicContact CB-CB 3.73Å; R115-L153 HydrophobicContact CB-CD1 4.37Å; R115-L153 HydrophobicContact CG-CB 4.14Å; R115-L153 HydrophobicContact CG-CD1 4.25Å; R115-P154 PolarHBondContact N-O 3.22Å; R115-Q187 PolarHBondContact NH1-O 3.43Å; R115-L199 HydrophobicContact CB-CD2 4.39Å; R115-L199 HydrophobicContact CG-CD1 4.38Å; R115-L199 WeakPolarHBondContact O-CD2 3.42Å
116G98.9Very high98.3Very high0 Ų039.6 Ų39.60%019%0.185CC..  trans-96.6177.5164.300000111.9D85 H118 E119 H167D85-G116 WeakPolarHBondContact OD1-CA 3.47Å; G116-H118 PolarHBondContact O-N 3.24Å; G116-E119 WeakPolarHBondContact CA-OE2 3.45Å; G116-E119 PolarHBondContact N-OE2 3.35Å; G116-E119 PolarHBondContact O-N 2.88Å; G116-H167 VanDerWaalsContact CA-CD2 3.46Å; G116-H167 WeakPolarHBondContact CA-CD2 3.24Å
117N98.8Very high98.1Very high3 Ų340.1 Ų40.12%0.01619%0.188CC..THydrogen-bonded Turntrans-72-23.5177.365.5-69.6000112.2D85 S120 H167 L199 W200 H241D85-N117 PolarHBondContact OD1-N 3.43Å; D85-N117 PolarHBondContact OD1-OD1 2.99Å; D85-N117 PolarHBondContact OD2-OD1 3.11Å; N117-S120 PolarHBondContact O-OG 3.45Å; N117-H167 PolarHBondContact N-CD2 2.96Å; N117-H167 VanDerWaalsContact N-CD2 3.26Å; N117-H167 PolarHBondContact OD1-CD2 3.19Å; N117-H167 VanDerWaalsContact OD1-CD2 3.24Å; N117-H167 PolarHBondContact OD1-NE2 3.17Å; N117-L199 HydrophobicContact CB-CB 4.3Å; N117-W200 HydrophobicContact CB-CD2 3.94Å; N117-W200 HydrophobicContact CB-CG 4.33Å; N117-W200 HydrophobicContact CB-CH2 4.4Å; N117-W200 HydrophobicContact CB-CZ2 3.77Å; N117-W200 WeakPolarHBondContact ND2-CH2 3.46Å; N117-H241 VanDerWaalsContact CG-CE1 3.48Å; N117-H241 PolarHBondContact OD1-CE1 2.72Å; N117-H241 PolarHBondContact OD1-ND1 2.86Å
118H98.8Very high98Very high11 Ų1138.2 Ų38.25%0.05118%0.182CC..THydrogen-bonded Turntrans-78.3-15.1174.6-77.8-99.8000113.9H59 D85 V87 D88 G116 S120 I123 T124H59-H118 AromaticContact CE1-CD2 3.52Å; H59-H118 AromaticContact CE1-CG 3.77Å; H59-H118 AromaticContact CE1-NE2 3.72Å; D85-H118 WeakPolarHBondContact OD1-CB 3.26Å; D85-H118 IonicContact OD1-CD2 3.57Å; D85-H118 IonicContact OD1-CG 3.95Å; D85-H118 PolarHBondContact OD1-N 3.25Å; D85-H118 IonicContact OD2-CD2 3.14Å; D85-H118 PolarHBondContact OD2-CD2 3.27Å; V87-H118 HydrophobicContact CG2-CB 4.35Å; D88-H118 VanDerWaalsContact CB-ND1 3.31Å; D88-H118 WeakPolarHBondContact CB-ND1 3.33Å; D88-H118 IonicContact OD2-CE1 2.83Å; D88-H118 IonicContact OD2-CG 3.9Å; D88-H118 IonicContact OD2-ND1 2.89Å; D88-H118 PolarHBondContact OD2-ND1 3.09Å; G116-H118 PolarHBondContact O-N 3.24Å; H118-S120 PolarHBondContact O-N 2.61Å; H118-I123 HydrophobicContact CB-CG2 4.24Å; H118-I123 VanDerWaalsContact CE1-CG2 3.43Å; H118-I123 WeakPolarHBondContact CE1-CG2 3.25Å; H118-I123 WeakPolarHBondContact ND1-CG2 3.47Å; H118-T124 WeakPolarHBondContact O-CG2 3.49Å
119E98.8Very high98.1Very high0 Ų036 Ų360%017%0.167CC..SBendtrans-78.952.4170.9-76.270.7-136.700111.7D85 Y86 V87 R115 G116 F150 L153D85-E119 PolarHBondContact N-OE2 2.86Å; Y86-E119 VanDerWaalsContact CD2-CD 3.47Å; Y86-E119 HydrophobicContact CD2-CG 3.83Å; Y86-E119 VanDerWaalsContact CD2-OE1 3.27Å; Y86-E119 WeakPolarHBondContact CD2-OE1 3.37Å; Y86-E119 HydrophobicContact CE2-CG 4.21Å; Y86-E119 PolarHBondContact N-OE1 2.98Å; V87-E119 PolarHBondContact N-OE1 2.91Å; R115-E119 HydrophobicContact CG-CB 3.86Å; R115-E119 PolarHBondContact NE-O 3.15Å; R115-E119 PolarHBondContact NH2-O 3.35Å; G116-E119 WeakPolarHBondContact CA-OE2 3.45Å; G116-E119 PolarHBondContact N-OE2 3.35Å; G116-E119 PolarHBondContact O-N 2.88Å; E119-F150 HydrophobicContact CB-CB 3.94Å; E119-F150 HydrophobicContact CB-CD1 4.09Å; E119-F150 HydrophobicContact CB-CD2 3.79Å; E119-F150 HydrophobicContact CB-CE2 4.31Å; E119-F150 HydrophobicContact CB-CG 3.68Å; E119-F150 HydrophobicContact CG-CD1 3.8Å; E119-F150 HydrophobicContact CG-CD2 4.06Å; E119-F150 HydrophobicContact CG-CE1 3.9Å; E119-F150 HydrophobicContact CG-CE2 4.15Å; E119-F150 HydrophobicContact CG-CG 3.9Å; E119-F150 HydrophobicContact CG-CZ 4.07Å; E119-F150 WeakPolarHBondContact O-CB 3.42Å; E119-L153 HydrophobicContact CB-CD1 4.09Å; E119-L153 HydrophobicContact CG-CD1 3.86Å
120S98.6Very high98.1Very high4 Ų431 Ų313%0.02814%0.142CC..SBendtrans-139.1146.8-179.365.50000111.2N117 H118 Q122 I123 T124 E188N117-S120 PolarHBondContact O-OG 3.45Å; H118-S120 PolarHBondContact O-N 2.61Å; S120-Q122 PolarHBondContact O-N 3.48Å; S120-I123 VanDerWaalsContact OG-CB 3.24Å; S120-I123 WeakPolarHBondContact OG-CB 3.29Å; S120-I123 WeakPolarHBondContact OG-CG1 3.49Å; S120-T124 WeakPolarHBondContact O-CB 3.39Å; S120-T124 VanDerWaalsContact O-CG2 3.23Å; S120-T124 WeakPolarHBondContact O-CG2 3.27Å; S120-T124 PolarHBondContact O-N 3.45Å; S120-T124 VanDerWaalsContact O-N 3.08Å; S120-T124 PolarHBondContact O-OG1 3.07Å; S120-E188 VanDerWaalsContact CB-OE1 3.29Å; S120-E188 WeakPolarHBondContact CB-OE1 3.16Å
121R98.7Very high98.1Very high51 Ų5129.6 Ų29.619%0.19214%0.142CC..Hα-helixtrans-63.1-42.5-178.4-69168-177.686.1-4.7111.5T124 Q125 W143 T147 D148 D151 E188R121-T124 PolarHBondContact O-OG1 2.84Å; R121-Q125 WeakPolarHBondContact O-CB 3.1Å; R121-Q125 VanDerWaalsContact O-CG 3.24Å; R121-Q125 WeakPolarHBondContact O-CG 3.4Å; R121-Q125 PolarHBondContact O-N 2.9Å; R121-W143 HydrophobicContact CB-CH2 4.29Å; R121-W143 HydrophobicContact CB-CZ2 3.9Å; R121-W143 HydrophobicContact CG-CH2 4.26Å; R121-W143 HydrophobicContact CG-CZ2 4.02Å; R121-T147 HydrophobicContact CG-CG2 3.8Å; R121-T147 PolarHBondContact NH2-O 3.44Å; R121-D148 IonicContact CZ-OD1 3.18Å; R121-D148 IonicContact NH2-OD1 3.79Å; R121-D148 PolarHBondContact NH2-OD1 3.39Å; R121-D151 IonicContact CZ-OD1 3.86Å; R121-D151 IonicContact CZ-OD2 3.63Å; R121-D151 VanDerWaalsContact CZ-OD2 3.31Å; R121-D151 IonicContact NH1-OD1 3.29Å; R121-D151 PolarHBondContact NH1-OD1 2.93Å; R121-D151 IonicContact NH1-OD2 2.86Å; R121-D151 PolarHBondContact NH1-OD2 3.29Å; R121-D151 IonicContact NH2-OD2 2.72Å; R121-D151 PolarHBondContact NH2-OD2 2.98Å; R121-E188 WeakPolarHBondContact CD-OE2 3.14Å; R121-E188 VanDerWaalsContact CG-OE2 3.31Å; R121-E188 WeakPolarHBondContact CG-OE2 3.44Å; R121-E188 IonicContact CZ-OE2 3.99Å; R121-E188 PolarHBondContact N-OE1 3.33Å; R121-E188 PolarHBondContact N-OE2 3.49Å; R121-E188 IonicContact NE-OE2 3.36Å; R121-E188 IonicContact NH1-OE2 2.88Å; R121-E188 PolarHBondContact NH1-OE2 2.92Å
122Q97.4Very high98.1Very high101 Ų10129.9 Ų29.947%0.47214%0.144SC..Hα-helixtrans-66.4-42.7-176.7-169.9-175.619.200111.9S120 E188 H191S120-Q122 PolarHBondContact O-N 3.48Å; Q122-E188 PolarHBondContact N-OE1 2.99Å; Q122-H191 PolarHBondContact OE1-CE1 2.95Å; Q122-H191 PolarHBondContact OE1-ND1 3.21Å
123I98.1Very high98.1Very high18 Ų1829.3 Ų29.39%0.09214%0.141CC..Hα-helixtrans-71.5-47.3-178.3-59-59.8000110H118 S120 Q125 V126 Y127 W200H118-I123 HydrophobicContact CB-CG2 4.24Å; H118-I123 VanDerWaalsContact CE1-CG2 3.43Å; H118-I123 WeakPolarHBondContact CE1-CG2 3.25Å; H118-I123 WeakPolarHBondContact ND1-CG2 3.47Å; S120-I123 VanDerWaalsContact OG-CB 3.24Å; S120-I123 WeakPolarHBondContact OG-CB 3.29Å; S120-I123 WeakPolarHBondContact OG-CG1 3.49Å; I123-Q125 PolarHBondContact O-N 3.25Å; I123-Q125 VanDerWaalsContact O-N 3.14Å; I123-V126 PolarHBondContact O-N 3.49Å; I123-Y127 HydrophobicContact CB-CD2 4.31Å; I123-Y127 HydrophobicContact CD1-CE2 4.16Å; I123-Y127 HydrophobicContact CG2-CD2 3.47Å; I123-Y127 VanDerWaalsContact CG2-CD2 3.47Å; I123-Y127 HydrophobicContact CG2-CE2 4.06Å; I123-Y127 HydrophobicContact CG2-CG 4.34Å; I123-Y127 VanDerWaalsContact O-CD2 3.31Å; I123-Y127 WeakPolarHBondContact O-CD2 3.28Å; I123-Y127 PolarHBondContact O-N 3Å; I123-W200 HydrophobicContact CD1-CH2 3.87Å; I123-W200 HydrophobicContact CD1-CZ2 3.78Å; I123-W200 HydrophobicContact CG1-CH2 4.48Å; I123-W200 HydrophobicContact CG1-CZ2 4.04Å
124T98.4Very high98Very high0 Ų032.6 Ų32.60%016%0.158CC..Hα-helixtrans-62.1-25.9-179.953.30000114.7V87 D88 H118 S120 R121 V126 F129 Y130 W143 F150V87-T124 HydrophobicContact CG2-CG2 3.82Å; D88-T124 WeakPolarHBondContact OD2-CA 3.28Å; H118-T124 WeakPolarHBondContact O-CG2 3.49Å; S120-T124 WeakPolarHBondContact O-CB 3.39Å; S120-T124 VanDerWaalsContact O-CG2 3.23Å; S120-T124 WeakPolarHBondContact O-CG2 3.27Å; S120-T124 PolarHBondContact O-N 3.45Å; S120-T124 VanDerWaalsContact O-N 3.08Å; S120-T124 PolarHBondContact O-OG1 3.07Å; R121-T124 PolarHBondContact O-OG1 2.84Å; T124-V126 VanDerWaalsContact C-N 3.29Å; T124-F129 HydrophobicContact CG2-CB 3.92Å; T124-F129 HydrophobicContact CG2-CD1 3.71Å; T124-F129 HydrophobicContact CG2-CG 4.25Å; T124-F129 PolarHBondContact O-N 2.87Å; T124-Y130 VanDerWaalsContact O-CB 3.28Å; T124-Y130 WeakPolarHBondContact O-CB 3.49Å; T124-Y130 PolarHBondContact O-N 2.92Å; T124-W143 PolarHBondContact OG1-NE1 2.99Å; T124-F150 HydrophobicContact CG2-CE2 4.46Å
125Q97.1Very high98Very high102 Ų10240.2 Ų40.248%0.47719%0.187SC..Hα-helixtrans-69.4-25.9173.5-80.8178.5-17.600113.4R121 I123 Y130 W143R121-Q125 WeakPolarHBondContact O-CB 3.1Å; R121-Q125 VanDerWaalsContact O-CG 3.24Å; R121-Q125 WeakPolarHBondContact O-CG 3.4Å; R121-Q125 PolarHBondContact O-N 2.9Å; I123-Q125 PolarHBondContact O-N 3.25Å; I123-Q125 VanDerWaalsContact O-N 3.14Å; Q125-Y130 HydrophobicContact CG-CD2 4.33Å; Q125-Y130 HydrophobicContact CG-CG 4.37Å; Q125-W143 HydrophobicContact CG-CH2 4.36Å; Q125-W143 HydrophobicContact CG-CZ2 3.74Å
126V95.9Very high98Very high91 Ų9141.9 Ų41.955%0.55219%0.194SC*.Hα-helixtrans-102.2-36.5-176-179.20000111.5I123 T124I123-V126 PolarHBondContact O-N 3.49Å; T124-V126 VanDerWaalsContact C-N 3.29Å
127Y95.3Very high97.9Very high75 Ų7543.4 Ų43.429%0.29420%0.2SC..Hα-helixtrans-102.58.1-166-65.9-76.3000115.7D88 R89 I123 Y307D88-Y127 WeakPolarHBondContact CB-O 3.24Å; R89-Y127 PolarHBondContact N-O 2.67Å; I123-Y127 HydrophobicContact CB-CD2 4.31Å; I123-Y127 HydrophobicContact CD1-CE2 4.16Å; I123-Y127 HydrophobicContact CG2-CD2 3.47Å; I123-Y127 VanDerWaalsContact CG2-CD2 3.47Å; I123-Y127 HydrophobicContact CG2-CE2 4.06Å; I123-Y127 HydrophobicContact CG2-CG 4.34Å; I123-Y127 VanDerWaalsContact O-CD2 3.31Å; I123-Y127 WeakPolarHBondContact O-CD2 3.28Å; I123-Y127 PolarHBondContact O-N 3Å; Y127-Y307 WeakPolarHBondContact O-CD2 3.48Å
128G95.8Very high97.9Very high4 Ų446.4 Ų46.44%0.04123%0.231CC..SBendtrans122.8-21.9157.600000116.1D88 Y130 D131 E132D88-G128 PolarHBondContact OD1-N 3.18Å; G128-Y130 PolarHBondContact O-N 2.9Å; G128-D131 PolarHBondContact O-N 2.93Å; G128-E132 WeakPolarHBondContact O-CB 3.29Å; G128-E132 PolarHBondContact O-N 3.38Å
129F98.7Very high97.9Very high0 Ų048.1 Ų48.10%024%0.24CC..Hα-helixtrans-65.4-37.5-175.4-179.5-124.4000113V87 D88 V94 V97 T124 E132 C133 W143 F146 F150V87-F129 HydrophobicContact CB-CB 4.06Å; V87-F129 HydrophobicContact CB-CD1 4.29Å; V87-F129 HydrophobicContact CB-CD2 3.96Å; V87-F129 HydrophobicContact CB-CE2 4.44Å; V87-F129 HydrophobicContact CB-CG 3.85Å; V87-F129 HydrophobicContact CG1-CD1 4.28Å; V87-F129 HydrophobicContact CG1-CD2 3.88Å; V87-F129 HydrophobicContact CG1-CE1 4.26Å; V87-F129 HydrophobicContact CG1-CE2 3.85Å; V87-F129 HydrophobicContact CG1-CG 4.08Å; V87-F129 HydrophobicContact CG1-CZ 4.04Å; V87-F129 HydrophobicContact CG2-CB 4.26Å; V87-F129 HydrophobicContact CG2-CD1 4.27Å; V87-F129 HydrophobicContact CG2-CG 4.2Å; D88-F129 WeakPolarHBondContact OD1-CB 3.46Å; D88-F129 PolarHBondContact OD1-N 2.94Å; V94-F129 HydrophobicContact CG2-CE2 3.94Å; V97-F129 HydrophobicContact CG1-CE2 4.16Å; V97-F129 HydrophobicContact CG1-CZ 4.06Å; T124-F129 HydrophobicContact CG2-CB 3.92Å; T124-F129 HydrophobicContact CG2-CD1 3.71Å; T124-F129 HydrophobicContact CG2-CG 4.25Å; T124-F129 PolarHBondContact O-N 2.87Å; F129-E132 PolarHBondContact O-N 2.89Å; F129-C133 PolarHBondContact O-N 2.79Å; F129-C133 PolarHBondContact O-SG 2.94Å; F129-W143 AromaticContact CD1-CD1 3.91Å; F129-F146 HydrophobicContact CE1-CB 3.85Å; F129-F146 HydrophobicContact CE1-CD2 4.42Å; F129-F146 HydrophobicContact CE1-CG 4.4Å; F129-F146 HydrophobicContact CZ-CB 3.91Å; F129-F146 AromaticContact CZ-CD2 3.68Å; F129-F146 HydrophobicContact CZ-CD2 3.68Å; F129-F146 HydrophobicContact CZ-CE2 4.47Å; F129-F146 AromaticContact CZ-CG 3.94Å; F129-F146 HydrophobicContact CZ-CG 3.94Å; F129-F150 HydrophobicContact CD1-CE2 4.47Å; F129-F150 HydrophobicContact CE1-CE2 4.09Å; F129-F150 HydrophobicContact CE1-CZ 4.02Å
130Y98.6Very high97.9Very high65 Ų6549.7 Ų49.726%0.25525%0.254SS..Hα-helixtrans-58.8-51.2173.7177.8-94.5000111.6T124 Q125 G128 E132 C133 L134 A140 W143T124-Y130 VanDerWaalsContact O-CB 3.28Å; T124-Y130 WeakPolarHBondContact O-CB 3.49Å; T124-Y130 PolarHBondContact O-N 2.92Å; Q125-Y130 HydrophobicContact CG-CD2 4.33Å; Q125-Y130 HydrophobicContact CG-CG 4.37Å; G128-Y130 PolarHBondContact O-N 2.9Å; Y130-E132 VanDerWaalsContact C-N 3.31Å; Y130-E132 PolarHBondContact O-N 3.4Å; Y130-C133 WeakPolarHBondContact O-CB 3.37Å; Y130-C133 PolarHBondContact O-N 3.41Å; Y130-L134 PolarHBondContact O-N 3.27Å; Y130-A140 HydrophobicContact CE2-CB 4.12Å; Y130-W143 HydrophobicContact CD2-CB 4.29Å; Y130-W143 AromaticContact CD2-CD1 3.92Å; Y130-W143 AromaticContact CD2-CD2 3.52Å; Y130-W143 HydrophobicContact CD2-CD2 3.52Å; Y130-W143 AromaticContact CD2-CE2 3.73Å; Y130-W143 AromaticContact CD2-CE3 3.94Å; Y130-W143 HydrophobicContact CD2-CE3 3.94Å; Y130-W143 AromaticContact CD2-CG 3.66Å; Y130-W143 HydrophobicContact CD2-CG 3.66Å; Y130-W143 HydrophobicContact CD2-CZ2 4.32Å; Y130-W143 HydrophobicContact CD2-CZ3 4.5Å; Y130-W143 AromaticContact CD2-NE1 3.95Å; Y130-W143 HydrophobicContact CE2-CD2 4.06Å; Y130-W143 AromaticContact CE2-CE3 4Å; Y130-W143 HydrophobicContact CE2-CE3 4Å; Y130-W143 HydrophobicContact CE2-CG 4.42Å; Y130-W143 HydrophobicContact CE2-CZ3 4.41Å
131D97.9Very high97.9Very high82 Ų8252.8 Ų52.844%0.43927%0.27SS..Hα-helixtrans-65.2-36.5179.7-74.4-19.8000111.8G128 L134 R135G128-D131 PolarHBondContact O-N 2.93Å; D131-L134 PolarHBondContact O-N 3.07Å; D131-R135 VanDerWaalsContact O-CB 3.25Å; D131-R135 WeakPolarHBondContact O-CB 3.15Å; D131-R135 PolarHBondContact O-N 3.49Å
132E98.4Very high97.9Very high7 Ų750.3 Ų50.33%0.03326%0.261CS..Hα-helixtrans-61.2-47.5173.9-170.7-175.4148.900111.3Y92 S93 V94 G128 F129 Y130 R135 K136Y92-E132 WeakPolarHBondContact CA-OE1 3.44Å; S93-E132 WeakPolarHBondContact CA-OE2 3.24Å; S93-E132 WeakPolarHBondContact CB-OE2 3.41Å; S93-E132 VanDerWaalsContact N-CD 3.34Å; S93-E132 PolarHBondContact N-OE1 2.87Å; S93-E132 PolarHBondContact N-OE2 2.84Å; S93-E132 PolarHBondContact OG-OE2 3.03Å; S93-E132 VanDerWaalsContact OG-OE2 3.07Å; V94-E132 WeakPolarHBondContact CB-OE1 3.39Å; V94-E132 HydrophobicContact CG2-CG 4.04Å; V94-E132 WeakPolarHBondContact CG2-OE1 3.35Å; V94-E132 PolarHBondContact N-OE1 3.2Å; G128-E132 WeakPolarHBondContact O-CB 3.29Å; G128-E132 PolarHBondContact O-N 3.38Å; F129-E132 PolarHBondContact O-N 2.89Å; Y130-E132 VanDerWaalsContact C-N 3.31Å; Y130-E132 PolarHBondContact O-N 3.4Å; E132-R135 PolarHBondContact O-N 2.82Å; E132-K136 HydrophobicContact CG-CD 4Å; E132-K136 WeakPolarHBondContact O-CB 3.46Å; E132-K136 WeakPolarHBondContact O-CG 3.39Å; E132-K136 PolarHBondContact O-N 2.95Å; E132-K136 IonicContact OE1-NZ 3.03Å; E132-K136 PolarHBondContact OE1-NZ 2.9Å
133C98.6Very high98Very high0 Ų047 Ų470%024%0.244CC..Hα-helixtrans-60-47.5176.2-70.90000111.4F129 Y130 R135 K136 Y137 W143F129-C133 PolarHBondContact O-N 2.79Å; F129-C133 PolarHBondContact O-SG 2.94Å; Y130-C133 WeakPolarHBondContact O-CB 3.37Å; Y130-C133 PolarHBondContact O-N 3.41Å; C133-R135 VanDerWaalsContact C-N 3.33Å; C133-R135 PolarHBondContact O-N 2.81Å; C133-K136 PolarHBondContact O-N 3.5Å; C133-Y137 WeakPolarHBondContact O-CB 3.11Å; C133-Y137 WeakPolarHBondContact O-CD2 3.05Å; C133-Y137 PolarHBondContact O-N 3.27Å; C133-W143 HydrophobicContact CB-CB 3.89Å
134L98.1Very high98Very high71 Ų7151.1 Ų51.137%0.37226%0.261SS..Hα-helixtrans-61.3-42.6179.8-173.863.5000111.6Y130 D131 G138Y130-L134 PolarHBondContact O-N 3.27Å; D131-L134 PolarHBondContact O-N 3.07Å; L134-G138 WeakPolarHBondContact O-CA 3.41Å; L134-G138 PolarHBondContact O-N 2.9Å
135R98.3Very high98Very high160 Ų16052.8 Ų52.860%0.60427%0.267SS*.Hα-helixtrans-65.2-38.1177.1-179.5176.55779.6-4.6112.8D131 E132 C133D131-R135 VanDerWaalsContact O-CB 3.25Å; D131-R135 WeakPolarHBondContact O-CB 3.15Å; D131-R135 PolarHBondContact O-N 3.49Å; E132-R135 PolarHBondContact O-N 2.82Å; C133-R135 VanDerWaalsContact C-N 3.33Å; C133-R135 PolarHBondContact O-N 2.81Å
136K98.3Very high98.1Very high35 Ų3547.9 Ų47.915%0.15225%0.245CC..Hα-helixtrans-84.6-27.8-175.4-78.8-177176.8174.20114.4Q22 V94 E95 E132 C133Q22-K136 PolarHBondContact NE2-O 3.18Å; Q22-K136 VanDerWaalsContact OE1-CG 3.32Å; V94-K136 HydrophobicContact CB-CD 3.95Å; V94-K136 HydrophobicContact CG1-CD 4.25Å; V94-K136 HydrophobicContact CG2-CD 3.95Å; E95-K136 WeakPolarHBondContact OE1-CE 3.45Å; E95-K136 IonicContact OE1-NZ 2.72Å; E95-K136 PolarHBondContact OE1-NZ 3.07Å; E95-K136 IonicContact OE2-NZ 2.67Å; E95-K136 PolarHBondContact OE2-NZ 2.79Å; E132-K136 HydrophobicContact CG-CD 4Å; E132-K136 WeakPolarHBondContact O-CB 3.46Å; E132-K136 WeakPolarHBondContact O-CG 3.39Å; E132-K136 PolarHBondContact O-N 2.95Å; E132-K136 IonicContact OE1-NZ 3.03Å; E132-K136 PolarHBondContact OE1-NZ 2.9Å; C133-K136 PolarHBondContact O-N 3.5Å
137Y98.4Very high98.3Very high32 Ų3243.6 Ų43.613%0.12522%0.219CC..Hα-helixtrans-119.9-10.5-174.1-64.8-83.6000114Q22 L23 E25 V94 C133 N139 V142Q22-Y137 VanDerWaalsContact NE2-CE1 3.34Å; Q22-Y137 VanDerWaalsContact NE2-CZ 3.33Å; L23-Y137 WeakPolarHBondContact O-CE1 3.36Å; L23-Y137 PolarHBondContact O-OH 3.41Å; E25-Y137 HydrophobicContact CB-CD1 4.34Å; V94-Y137 HydrophobicContact CG1-CE2 3.75Å; V94-Y137 WeakPolarHBondContact CG1-OH 3.49Å; V94-Y137 HydrophobicContact CG2-CE2 4.25Å; C133-Y137 WeakPolarHBondContact O-CB 3.11Å; C133-Y137 WeakPolarHBondContact O-CD2 3.05Å; C133-Y137 PolarHBondContact O-N 3.27Å; Y137-N139 PolarHBondContact O-N 3.02Å; Y137-N139 PolarHBondContact O-ND2 3.24Å; Y137-V142 HydrophobicContact CD1-CG2 3.63Å; Y137-V142 HydrophobicContact CD2-CB 3.81Å; Y137-V142 HydrophobicContact CD2-CG1 3.89Å; Y137-V142 HydrophobicContact CD2-CG2 3.76Å; Y137-V142 HydrophobicContact CE1-CG2 3.79Å; Y137-V142 HydrophobicContact CE2-CB 4.02Å; Y137-V142 HydrophobicContact CE2-CG1 3.62Å; Y137-V142 HydrophobicContact CE2-CG2 3.93Å; Y137-V142 HydrophobicContact CG-CB 4.1Å; Y137-V142 HydrophobicContact CG-CG2 3.6Å
138G98.3Very high98.4Very high65 Ų6541.7 Ų41.767%0.6721%0.213SC*.SBendtrans74.41.3179.300000114.6L134L134-G138 WeakPolarHBondContact O-CA 3.41Å; L134-G138 PolarHBondContact O-N 2.9Å
139N98.3Very high98.6Very high47 Ų4741.5 Ų41.525%0.25121%0.212SC..SBendtrans-152.9175.1177.970.266.6000110.9E25 Y137 N141E25-N139 PolarHBondContact OE2-ND2 3.22Å; E25-N139 PolarHBondContact OE2-OD1 3.16Å; Y137-N139 PolarHBondContact O-N 3.02Å; Y137-N139 PolarHBondContact O-ND2 3.24Å; N139-N141 WeakPolarHBondContact OD1-CB 3.42Å; N139-N141 VanDerWaalsContact OD1-CG 3.24Å; N139-N141 PolarHBondContact OD1-N 3.37Å; N139-N141 PolarHBondContact OD1-ND2 2.97Å
140A98.1Very high98.6Very high34 Ų3441.6 Ų41.628%0.28121%0.212SC..SBendtrans-93.64.7-175.500000114.9Y130 V142 W143 K144Y130-A140 HydrophobicContact CE2-CB 4.12Å; A140-V142 PolarHBondContact O-N 3.38Å; A140-W143 PolarHBondContact O-N 3.35Å; A140-K144 PolarHBondContact O-N 3Å
141N98.8Very high98.6Very high68 Ų6839.4 Ų39.436%0.36421%0.205SC..Hα-helixtrans-64.8-43.2-173.7-66.9-20.8000111.9E25 N139 W143 K144 Y145E25-N141 HydrophobicContact CG-CB 4.39Å; E25-N141 WeakPolarHBondContact OE1-CB 3.4Å; E25-N141 PolarHBondContact OE1-ND2 3.25Å; N139-N141 WeakPolarHBondContact OD1-CB 3.42Å; N139-N141 VanDerWaalsContact OD1-CG 3.24Å; N139-N141 PolarHBondContact OD1-N 3.37Å; N139-N141 PolarHBondContact OD1-ND2 2.97Å; N141-W143 PolarHBondContact O-N 2.97Å; N141-K144 CarbonylContact O-C 3.59Å; N141-K144 WeakPolarHBondContact O-CB 3.34Å; N141-K144 PolarHBondContact O-N 2.86Å; N141-K144 VanDerWaalsContact O-N 3.15Å; N141-Y145 HydrophobicContact CB-CE2 3.95Å; N141-Y145 VanDerWaalsContact O-CD2 3.32Å; N141-Y145 WeakPolarHBondContact O-CD2 3.46Å; N141-Y145 PolarHBondContact O-N 2.92Å
142V98.9Very high98.7Very high0 Ų038.6 Ų38.60%020%0.196CC..Hα-helixtrans-62.5-42.7178.5167.90000111.9E25 V28 Y137 A140 K144 Y145 F146E25-V142 HydrophobicContact CB-CG2 4.23Å; E25-V142 HydrophobicContact CG-CG2 4.01Å; V28-V142 HydrophobicContact CB-CG2 4.41Å; V28-V142 HydrophobicContact CG1-CG1 4.07Å; V28-V142 HydrophobicContact CG1-CG2 4.37Å; Y137-V142 HydrophobicContact CD1-CG2 3.63Å; Y137-V142 HydrophobicContact CD2-CB 3.81Å; Y137-V142 HydrophobicContact CD2-CG1 3.89Å; Y137-V142 HydrophobicContact CD2-CG2 3.76Å; Y137-V142 HydrophobicContact CE1-CG2 3.79Å; Y137-V142 HydrophobicContact CE2-CB 4.02Å; Y137-V142 HydrophobicContact CE2-CG1 3.62Å; Y137-V142 HydrophobicContact CE2-CG2 3.93Å; Y137-V142 HydrophobicContact CG-CB 4.1Å; Y137-V142 HydrophobicContact CG-CG2 3.6Å; A140-V142 PolarHBondContact O-N 3.38Å; V142-K144 VanDerWaalsContact C-N 3.3Å; V142-K144 PolarHBondContact O-N 2.86Å; V142-Y145 PolarHBondContact O-N 3.28Å; V142-F146 HydrophobicContact CG1-CD2 3.66Å; V142-F146 HydrophobicContact CG1-CE2 3.63Å; V142-F146 WeakPolarHBondContact O-CD2 3.21Å; V142-F146 PolarHBondContact O-N 2.67Å
143W98.9Very high98.7Very high32 Ų3238.4 Ų38.412%0.12120%0.195CC..Hα-helixtrans-58.9-43.8173.4171.780.4000111.3R121 T124 Q125 F129 Y130 C133 A140 N141 F146 T147R121-W143 HydrophobicContact CB-CH2 4.29Å; R121-W143 HydrophobicContact CB-CZ2 3.9Å; R121-W143 HydrophobicContact CG-CH2 4.26Å; R121-W143 HydrophobicContact CG-CZ2 4.02Å; T124-W143 PolarHBondContact OG1-NE1 2.99Å; Q125-W143 HydrophobicContact CG-CH2 4.36Å; Q125-W143 HydrophobicContact CG-CZ2 3.74Å; F129-W143 AromaticContact CD1-CD1 3.91Å; Y130-W143 HydrophobicContact CD2-CB 4.29Å; Y130-W143 AromaticContact CD2-CD1 3.92Å; Y130-W143 AromaticContact CD2-CD2 3.52Å; Y130-W143 HydrophobicContact CD2-CD2 3.52Å; Y130-W143 AromaticContact CD2-CE2 3.73Å; Y130-W143 AromaticContact CD2-CE3 3.94Å; Y130-W143 HydrophobicContact CD2-CE3 3.94Å; Y130-W143 AromaticContact CD2-CG 3.66Å; Y130-W143 HydrophobicContact CD2-CG 3.66Å; Y130-W143 HydrophobicContact CD2-CZ2 4.32Å; Y130-W143 HydrophobicContact CD2-CZ3 4.5Å; Y130-W143 AromaticContact CD2-NE1 3.95Å; Y130-W143 HydrophobicContact CE2-CD2 4.06Å; Y130-W143 AromaticContact CE2-CE3 4Å; Y130-W143 HydrophobicContact CE2-CE3 4Å; Y130-W143 HydrophobicContact CE2-CG 4.42Å; Y130-W143 HydrophobicContact CE2-CZ3 4.41Å; C133-W143 HydrophobicContact CB-CB 3.89Å; A140-W143 PolarHBondContact O-N 3.35Å; N141-W143 PolarHBondContact O-N 2.97Å; W143-F146 PolarHBondContact O-N 3.49Å; W143-T147 HydrophobicContact CD2-CG2 4.26Å; W143-T147 HydrophobicContact CG-CG2 4.43Å; W143-T147 HydrophobicContact CZ2-CG2 4.13Å; W143-T147 WeakPolarHBondContact O-CB 3.49Å; W143-T147 WeakPolarHBondContact O-CG2 3.44Å; W143-T147 PolarHBondContact O-N 2.87Å; W143-T147 PolarHBondContact O-OG1 2.89Å
144K98.9Very high98.7Very high103 Ų10338.4 Ų38.445%0.44820%0.195SC..Hα-helixtrans-61-44.9174.7177.1168.3174.648.20112.1A140 N141 V142 F146 T147 D148A140-K144 PolarHBondContact O-N 3Å; N141-K144 CarbonylContact O-C 3.59Å; N141-K144 WeakPolarHBondContact O-CB 3.34Å; N141-K144 PolarHBondContact O-N 2.86Å; N141-K144 VanDerWaalsContact O-N 3.15Å; V142-K144 VanDerWaalsContact C-N 3.3Å; V142-K144 PolarHBondContact O-N 2.86Å; K144-F146 VanDerWaalsContact C-N 3.34Å; K144-F146 PolarHBondContact O-N 2.84Å; K144-T147 WeakPolarHBondContact CA-OG1 2.74Å; K144-T147 PolarHBondContact O-N 3.2Å; K144-T147 PolarHBondContact O-OG1 2.9Å; K144-D148 WeakPolarHBondContact CE-OD2 3.49Å; K144-D148 WeakPolarHBondContact CG-OD2 3.25Å; K144-D148 IonicContact NZ-OD1 2.83Å; K144-D148 PolarHBondContact NZ-OD1 3.04Å; K144-D148 IonicContact NZ-OD2 3.98Å; K144-D148 PolarHBondContact NZ-OD2 2.77Å; K144-D148 VanDerWaalsContact O-CB 3.28Å; K144-D148 WeakPolarHBondContact O-CB 3.08Å; K144-D148 PolarHBondContact O-N 3.33Å
145Y98.9Very high98.7Very high35 Ų3535 Ų3514%0.13718%0.177CC..Hα-helixtrans-62.7-39.9-179.5-60.1-29.5000112.6E25 V28 R29 N141 V142 L149E25-Y145 HydrophobicContact CG-CE2 4Å; V28-Y145 HydrophobicContact CG1-CD2 4.45Å; R29-Y145 HydrophobicContact CB-CD2 3.82Å; R29-Y145 HydrophobicContact CB-CE2 3.6Å; R29-Y145 HydrophobicContact CB-CG 4.44Å; R29-Y145 HydrophobicContact CG-CD2 4.35Å; R29-Y145 HydrophobicContact CG-CE1 4.19Å; R29-Y145 HydrophobicContact CG-CE2 4Å; N141-Y145 HydrophobicContact CB-CE2 3.95Å; N141-Y145 VanDerWaalsContact O-CD2 3.32Å; N141-Y145 WeakPolarHBondContact O-CD2 3.46Å; N141-Y145 PolarHBondContact O-N 2.92Å; V142-Y145 PolarHBondContact O-N 3.28Å; Y145-L149 WeakPolarHBondContact O-CB 3.49Å; Y145-L149 PolarHBondContact O-N 3.09Å
146F98.9Very high98.8Very high0 Ų027.4 Ų27.40%015%0.148CC..Hα-helixtrans-72.8-45.4175.9-79.6-61000112.6V28 V97 T98 F129 V142 W143 K144 D148 L149 F150V28-F146 HydrophobicContact CG1-CD2 4.16Å; V28-F146 HydrophobicContact CG1-CE1 4.45Å; V28-F146 HydrophobicContact CG1-CE2 3.52Å; V28-F146 HydrophobicContact CG1-CZ 3.67Å; V97-F146 HydrophobicContact CG1-CD1 4.01Å; V97-F146 HydrophobicContact CG1-CD2 4.36Å; V97-F146 HydrophobicContact CG1-CE1 3.81Å; V97-F146 HydrophobicContact CG1-CE2 4.14Å; V97-F146 HydrophobicContact CG1-CG 4.3Å; V97-F146 HydrophobicContact CG1-CZ 3.88Å; V97-F146 HydrophobicContact CG2-CD1 4.29Å; V97-F146 HydrophobicContact CG2-CE1 4.38Å; T98-F146 HydrophobicContact CG2-CZ 4.47Å; T98-F146 VanDerWaalsContact OG1-CZ 3.28Å; T98-F146 WeakPolarHBondContact OG1-CZ 3.36Å; F129-F146 HydrophobicContact CE1-CB 3.85Å; F129-F146 HydrophobicContact CE1-CD2 4.42Å; F129-F146 HydrophobicContact CE1-CG 4.4Å; F129-F146 HydrophobicContact CZ-CB 3.91Å; F129-F146 AromaticContact CZ-CD2 3.68Å; F129-F146 HydrophobicContact CZ-CD2 3.68Å; F129-F146 HydrophobicContact CZ-CE2 4.47Å; F129-F146 AromaticContact CZ-CG 3.94Å; F129-F146 HydrophobicContact CZ-CG 3.94Å; V142-F146 HydrophobicContact CG1-CD2 3.66Å; V142-F146 HydrophobicContact CG1-CE2 3.63Å; V142-F146 WeakPolarHBondContact O-CD2 3.21Å; V142-F146 PolarHBondContact O-N 2.67Å; W143-F146 PolarHBondContact O-N 3.49Å; K144-F146 VanDerWaalsContact C-N 3.34Å; K144-F146 PolarHBondContact O-N 2.84Å; F146-D148 VanDerWaalsContact C-N 3.31Å; F146-D148 PolarHBondContact O-N 3.46Å; F146-L149 HydrophobicContact CD1-CD2 4.37Å; F146-L149 CarbonylContact O-C 3.55Å; F146-L149 WeakPolarHBondContact O-CA 3.42Å; F146-L149 VanDerWaalsContact O-CB 3.31Å; F146-L149 WeakPolarHBondContact O-CB 3.44Å; F146-L149 PolarHBondContact O-N 2.78Å; F146-F150 HydrophobicContact CB-CE1 4.14Å; F146-F150 HydrophobicContact CB-CE2 4.36Å; F146-F150 HydrophobicContact CB-CZ 3.88Å; F146-F150 HydrophobicContact CD1-CE1 4.45Å; F146-F150 WeakPolarHBondContact O-CD1 3.39Å; F146-F150 WeakPolarHBondContact O-CG 3.22Å; F146-F150 PolarHBondContact O-N 3.19Å
147T98.9Very high98.8Very high1 Ų125.7 Ų25.71%0.00614%0.141CC..Hα-helixtrans-65.3-34.2178.750.70000112.9R121 W143 K144 L149 F150R121-T147 HydrophobicContact CG-CG2 3.8Å; R121-T147 PolarHBondContact NH2-O 3.44Å; W143-T147 HydrophobicContact CD2-CG2 4.26Å; W143-T147 HydrophobicContact CG-CG2 4.43Å; W143-T147 HydrophobicContact CZ2-CG2 4.13Å; W143-T147 WeakPolarHBondContact O-CB 3.49Å; W143-T147 WeakPolarHBondContact O-CG2 3.44Å; W143-T147 PolarHBondContact O-N 2.87Å; W143-T147 PolarHBondContact O-OG1 2.89Å; K144-T147 WeakPolarHBondContact CA-OG1 2.74Å; K144-T147 PolarHBondContact O-N 3.2Å; K144-T147 PolarHBondContact O-OG1 2.9Å; T147-L149 VanDerWaalsContact C-N 3.29Å; T147-L149 PolarHBondContact O-N 3.19Å; T147-F150 HydrophobicContact CG2-CD2 4.07Å; T147-F150 HydrophobicContact CG2-CE2 4.19Å; T147-F150 PolarHBondContact O-N 2.9Å
148D98.9Very high98.8Very high34 Ų3424.5 Ų24.518%0.18214%0.137CC..Hα-helixtrans-68.8-27.1170.3-66.7-12.7000112.5K36 R121 K144 F146 Y152K36-D148 WeakPolarHBondContact CE-O 3.31Å; R121-D148 IonicContact CZ-OD1 3.18Å; R121-D148 IonicContact NH2-OD1 3.79Å; R121-D148 PolarHBondContact NH2-OD1 3.39Å; K144-D148 WeakPolarHBondContact CE-OD2 3.49Å; K144-D148 WeakPolarHBondContact CG-OD2 3.25Å; K144-D148 IonicContact NZ-OD1 2.83Å; K144-D148 PolarHBondContact NZ-OD1 3.04Å; K144-D148 IonicContact NZ-OD2 3.98Å; K144-D148 PolarHBondContact NZ-OD2 2.77Å; K144-D148 VanDerWaalsContact O-CB 3.28Å; K144-D148 WeakPolarHBondContact O-CB 3.08Å; K144-D148 PolarHBondContact O-N 3.33Å; F146-D148 VanDerWaalsContact C-N 3.31Å; F146-D148 PolarHBondContact O-N 3.46Å; D148-Y152 WeakPolarHBondContact O-CD2 3.46Å; D148-Y152 WeakPolarHBondContact O-CE2 3.31Å
149L98.9Very high98.8Very high1 Ų121.4 Ų21.41%0.00511%0.105CC..Hα-helixtrans-75.5-36.9173172.566.3000111.4C32 A35 K36 L39 V101 Y145 F146 T147 D151 Y152C32-L149 HydrophobicContact CB-CB 4.34Å; C32-L149 HydrophobicContact CB-CD2 4.31Å; A35-L149 HydrophobicContact CB-CD1 3.54Å; A35-L149 HydrophobicContact CB-CD2 4.05Å; A35-L149 HydrophobicContact CB-CG 4.47Å; K36-L149 HydrophobicContact CG-CD1 3.79Å; L39-L149 HydrophobicContact CD1-CD1 3.68Å; L39-L149 HydrophobicContact CD1-CG 4.47Å; V101-L149 HydrophobicContact CB-CD2 4.45Å; V101-L149 HydrophobicContact CG1-CD2 3.77Å; V101-L149 HydrophobicContact CG2-CD2 3.78Å; Y145-L149 WeakPolarHBondContact O-CB 3.49Å; Y145-L149 PolarHBondContact O-N 3.09Å; F146-L149 HydrophobicContact CD1-CD2 4.37Å; F146-L149 CarbonylContact O-C 3.55Å; F146-L149 WeakPolarHBondContact O-CA 3.42Å; F146-L149 VanDerWaalsContact O-CB 3.31Å; F146-L149 WeakPolarHBondContact O-CB 3.44Å; F146-L149 PolarHBondContact O-N 2.78Å; T147-L149 VanDerWaalsContact C-N 3.29Å; T147-L149 PolarHBondContact O-N 3.19Å; L149-D151 PolarHBondContact O-N 2.96Å; L149-Y152 WeakPolarHBondContact O-CB 3.43Å; L149-Y152 PolarHBondContact O-N 3.03Å
150F98.9Very high98.8Very high2 Ų222.1 Ų22.11%0.00911%0.109CC..Hα-helixtrans-58-31.6-178.6-65.7-17.1000113.1V87 V97 R115 E119 T124 F129 F146 T147 Y152 L153V87-F150 HydrophobicContact CG1-CZ 4.13Å; V87-F150 HydrophobicContact CG2-CE2 4.45Å; V87-F150 HydrophobicContact CG2-CZ 4.45Å; V97-F150 HydrophobicContact CG2-CE1 3.85Å; V97-F150 HydrophobicContact CG2-CZ 4.21Å; R115-F150 WeakPolarHBondContact CD-O 3.37Å; R115-F150 PolarHBondContact NE-O 2.81Å; E119-F150 HydrophobicContact CB-CB 3.94Å; E119-F150 HydrophobicContact CB-CD1 4.09Å; E119-F150 HydrophobicContact CB-CD2 3.79Å; E119-F150 HydrophobicContact CB-CE2 4.31Å; E119-F150 HydrophobicContact CB-CG 3.68Å; E119-F150 HydrophobicContact CG-CD1 3.8Å; E119-F150 HydrophobicContact CG-CD2 4.06Å; E119-F150 HydrophobicContact CG-CE1 3.9Å; E119-F150 HydrophobicContact CG-CE2 4.15Å; E119-F150 HydrophobicContact CG-CG 3.9Å; E119-F150 HydrophobicContact CG-CZ 4.07Å; E119-F150 WeakPolarHBondContact O-CB 3.42Å; T124-F150 HydrophobicContact CG2-CE2 4.46Å; F129-F150 HydrophobicContact CD1-CE2 4.47Å; F129-F150 HydrophobicContact CE1-CE2 4.09Å; F129-F150 HydrophobicContact CE1-CZ 4.02Å; F146-F150 HydrophobicContact CB-CE1 4.14Å; F146-F150 HydrophobicContact CB-CE2 4.36Å; F146-F150 HydrophobicContact CB-CZ 3.88Å; F146-F150 HydrophobicContact CD1-CE1 4.45Å; F146-F150 WeakPolarHBondContact O-CD1 3.39Å; F146-F150 WeakPolarHBondContact O-CG 3.22Å; F146-F150 PolarHBondContact O-N 3.19Å; T147-F150 HydrophobicContact CG2-CD2 4.07Å; T147-F150 HydrophobicContact CG2-CE2 4.19Å; T147-F150 PolarHBondContact O-N 2.9Å; F150-Y152 PolarHBondContact O-N 2.81Å; F150-Y152 VanDerWaalsContact O-N 3.14Å; F150-L153 HydrophobicContact CB-CD1 4.34Å; F150-L153 HydrophobicContact CD1-CD1 3.91Å; F150-L153 HydrophobicContact CG-CD1 4.46Å; F150-L153 WeakPolarHBondContact O-CB 3.45Å; F150-L153 PolarHBondContact O-N 2.89Å; F150-L153 VanDerWaalsContact O-N 3.16Å
151D98.9Very high98.8Very high18 Ų1822.2 Ų22.210%0.09611%0.113CC..THydrogen-bonded Turntrans-60.7-21.7175.4-60-24.6000113.3R115 R121 L149 R185 L186 Q187R115-D151 IonicContact CZ-OD1 3.59Å; R115-D151 IonicContact NH1-OD1 3.33Å; R115-D151 IonicContact NH2-OD1 2.67Å; R115-D151 PolarHBondContact NH2-OD1 2.8Å; R121-D151 IonicContact CZ-OD1 3.86Å; R121-D151 IonicContact CZ-OD2 3.63Å; R121-D151 VanDerWaalsContact CZ-OD2 3.31Å; R121-D151 IonicContact NH1-OD1 3.29Å; R121-D151 PolarHBondContact NH1-OD1 2.93Å; R121-D151 IonicContact NH1-OD2 2.86Å; R121-D151 PolarHBondContact NH1-OD2 3.29Å; R121-D151 IonicContact NH2-OD2 2.72Å; R121-D151 PolarHBondContact NH2-OD2 2.98Å; L149-D151 PolarHBondContact O-N 2.96Å; D151-R185 VanDerWaalsContact O-O 3.09Å; D151-L186 WeakPolarHBondContact O-CD2 3.46Å; D151-Q187 VanDerWaalsContact OD1-O 3.12Å
152Y98.9Very high98.8Very high66 Ų6623 Ų2326%0.25911%0.114SC..THydrogen-bonded Turntrans-91.5-14.8-179.2-69.6-104.6000113.5K36 D148 L149 F150 R185 L186K36-Y152 HydrophobicContact CB-CD1 4.32Å; K36-Y152 HydrophobicContact CB-CE1 4.35Å; K36-Y152 HydrophobicContact CB-CG 4.45Å; K36-Y152 HydrophobicContact CD-CD2 4.31Å; K36-Y152 HydrophobicContact CD-CE2 3.98Å; K36-Y152 HydrophobicContact CG-CD1 4.42Å; K36-Y152 HydrophobicContact CG-CD2 3.86Å; K36-Y152 HydrophobicContact CG-CE2 3.99Å; K36-Y152 HydrophobicContact CG-CG 4.1Å; D148-Y152 WeakPolarHBondContact O-CD2 3.46Å; D148-Y152 WeakPolarHBondContact O-CE2 3.31Å; L149-Y152 WeakPolarHBondContact O-CB 3.43Å; L149-Y152 PolarHBondContact O-N 3.03Å; F150-Y152 PolarHBondContact O-N 2.81Å; F150-Y152 VanDerWaalsContact O-N 3.14Å; Y152-R185 PolarHBondContact O-NE 3.46Å; Y152-R185 PolarHBondContact O-NH2 2.9Å; Y152-L186 HydrophobicContact CD1-CD2 3.8Å; Y152-L186 HydrophobicContact CE1-CD2 4.1Å; Y152-L186 HydrophobicContact CG-CD2 4.02Å
153L98.9Very high98.8Very high2 Ų223.1 Ų23.11%0.0112%0.115CC..SBendtrans-61.8129.1-177.5-68.8172.1000110.6L39 Y86 I113 R115 E119 F150 R185L39-L153 HydrophobicContact CD1-CD2 3.89Å; Y86-L153 HydrophobicContact CE2-CD1 4.25Å; I113-L153 HydrophobicContact CB-CD2 4.35Å; I113-L153 HydrophobicContact CD1-CD2 3.78Å; I113-L153 HydrophobicContact CG1-CD2 3.8Å; R115-L153 HydrophobicContact CB-CB 3.73Å; R115-L153 HydrophobicContact CB-CD1 4.37Å; R115-L153 HydrophobicContact CG-CB 4.14Å; R115-L153 HydrophobicContact CG-CD1 4.25Å; E119-L153 HydrophobicContact CB-CD1 4.09Å; E119-L153 HydrophobicContact CG-CD1 3.86Å; F150-L153 HydrophobicContact CB-CD1 4.34Å; F150-L153 HydrophobicContact CD1-CD1 3.91Å; F150-L153 HydrophobicContact CG-CD1 4.46Å; F150-L153 WeakPolarHBondContact O-CB 3.45Å; F150-L153 PolarHBondContact O-N 2.89Å; F150-L153 VanDerWaalsContact O-N 3.16Å; L153-R185 VanDerWaalsContact O-CD 3.28Å; L153-R185 WeakPolarHBondContact O-CD 3.46Å
154P98.9Very high98.8Very high0 Ų021.6 Ų21.60%011%0.109CC..  trans-52.4144172-28.736.6000112.3E42 S43 Q46 L114 R115E42-P154 HydrophobicContact CB-CG 3.84Å; E42-P154 WeakPolarHBondContact OE2-CG 3.23Å; S43-P154 WeakPolarHBondContact O-CB 3.44Å; Q46-P154 HydrophobicContact CB-CB 4.13Å; Q46-P154 HydrophobicContact CB-CG 4.34Å; L114-P154 CarbonylContact C-O 3.54Å; L114-P154 WeakPolarHBondContact CA-O 3.35Å; L114-P154 HydrophobicContact CD2-CB 3.85Å; R115-P154 PolarHBondContact N-O 3.22Å
155L98.9Very high98.8Very high0 Ų016.7 Ų16.70%09%0.088CC..SBendtrans-77.4-35.8180-59.7179.9000111.6L183 R185 M195 L198L155-L183 HydrophobicContact CD1-CB 4.49Å; L155-L183 HydrophobicContact CD1-CD1 3.96Å; L155-R185 HydrophobicContact CD1-CB 4.06Å; L155-R185 HydrophobicContact CD2-CB 4.14Å; L155-R185 HydrophobicContact CG-CB 3.97Å; L155-M195 HydrophobicContact CD1-CG 4.13Å; L155-M195 HydrophobicContact CD2-CE 4.05Å; L155-M195 HydrophobicContact CD2-CG 4.04Å; L155-M195 HydrophobicContact CD2-SD 4.47Å; L155-L198 HydrophobicContact CB-CD1 4.4Å; L155-L198 HydrophobicContact CD1-CD1 4.14Å
156T99Very high98.8Very high0 Ų015 Ų150%08%0.081CC..EExtended strand (participates in β ladder)trans-147.8163.9-171.369.70000110.5N44 V45 Q46 F164 C165 L166 I180 L198N44-T156 PolarHBondContact O-N 3.05Å; N44-T156 VanDerWaalsContact O-O 3.09Å; N44-T156 PolarHBondContact O-OG1 3.27Å; V45-T156 WeakPolarHBondContact CA-OG1 3.43Å; Q46-T156 PolarHBondContact N-O 3.26Å; T156-F164 HydrophobicContact CG2-CE2 3.88Å; T156-F164 HydrophobicContact CG2-CZ 3.7Å; T156-C165 CarbonylContact C-O 3.16Å; T156-C165 VanDerWaalsContact CA-O 3.27Å; T156-C165 WeakPolarHBondContact CA-O 3.27Å; T156-C165 WeakPolarHBondContact CB-O 3.43Å; T156-L166 HydrophobicContact CG2-CB 3.82Å; T156-I180 HydrophobicContact CG2-CD1 4.34Å; T156-I180 HydrophobicContact CG2-CG2 4.11Å; T156-L198 HydrophobicContact CG2-CD1 4.3Å; T156-L198 HydrophobicContact CG2-CD2 4.2Å
157A98.9Very high98.8Very high0 Ų015 Ų150%08%0.081CC..EExtended strand (participates in β ladder)trans-131.5156171.100000111.4Q46 V48 L81 L114 C165Q46-A157 HydrophobicContact CB-CB 4.44Å; Q46-A157 CarbonylContact O-C 3.55Å; Q46-A157 WeakPolarHBondContact O-CA 3.23Å; Q46-A157 WeakPolarHBondContact O-CB 3.34Å; V48-A157 HydrophobicContact CG2-CB 4.1Å; L81-A157 HydrophobicContact CD1-CB 3.77Å; L81-A157 HydrophobicContact CG-CB 4.41Å; L114-A157 HydrophobicContact CD1-CB 4.1Å; L114-A157 HydrophobicContact CD2-CB 4.06Å; A157-C165 HydrophobicContact CB-CB 4.27Å; A157-C165 PolarHBondContact N-O 2.98Å; A157-C165 PolarHBondContact O-N 3.19Å
158L98.9Very high98.8Very high7 Ų715 Ų154%0.0378%0.081CC..EExtended strand (participates in β ladder)trans-125.5111.2174.9-174.164.3000108.5V45 Q46 V48 F164 L177 L234V45-L158 HydrophobicContact CG1-CB 3.87Å; Q46-L158 PolarHBondContact O-N 3.41Å; V48-L158 PolarHBondContact N-O 3.47Å; L158-F164 HydrophobicContact CD1-CB 4.42Å; L158-L177 HydrophobicContact CD1-CD1 4.27Å; L158-L177 HydrophobicContact CD2-CD1 3.84Å; L158-L234 HydrophobicContact CD1-CD2 3.55Å
159V98.8Very high98.8Very high0 Ų013.4 Ų13.40%07%0.072CC..EExtended strand (participates in β ladder)trans-88.6115.2179.6-169.60000109.2V48 V52 L81 G161 Q162 I163 L278 L282V48-V159 HydrophobicContact CB-CG2 4.26Å; V48-V159 HydrophobicContact CG1-CG2 4.48Å; V48-V159 CarbonylContact O-C 3.57Å; V48-V159 VanDerWaalsContact O-CA 3.28Å; V48-V159 WeakPolarHBondContact O-CA 3.36Å; V52-V159 HydrophobicContact CG1-CG1 3.81Å; V52-V159 HydrophobicContact CG1-CG2 4.35Å; L81-V159 HydrophobicContact CD1-CG2 3.74Å; V159-G161 PolarHBondContact O-N 2.89Å; V159-G161 VanDerWaalsContact O-N 3.07Å; V159-Q162 PolarHBondContact O-N 3.16Å; V159-I163 HydrophobicContact CB-CB 4.25Å; V159-I163 PolarHBondContact N-O 3.48Å; V159-I163 PolarHBondContact O-N 2.84Å; V159-I163 VanDerWaalsContact O-N 3.15Å; V159-L278 HydrophobicContact CB-CD1 4.35Å; V159-L278 HydrophobicContact CG1-CD1 3.95Å; V159-L278 HydrophobicContact CG2-CD1 4.39Å; V159-L282 HydrophobicContact CG1-CD2 4.02Å
160D98.3Very high98.8Very high62 Ų6213.4 Ų13.433%0.3327%0.073SC..THydrogen-bonded Turntrans45.637.6-178.7-78.2-12.3000114.4V48 R49 C50 Q162 L282V48-D160 PolarHBondContact O-N 2.91Å; R49-D160 WeakPolarHBondContact CA-OD1 3.46Å; C50-D160 WeakPolarHBondContact CB-OD2 3.25Å; C50-D160 PolarHBondContact N-OD2 3.15Å; C50-D160 PolarHBondContact SG-OD2 2.96Å; D160-Q162 PolarHBondContact O-N 2.92Å; D160-Q162 VanDerWaalsContact O-N 3.1Å; D160-L282 HydrophobicContact CB-CD1 3.85Å; D160-L282 HydrophobicContact CB-CD2 4.12Å; D160-L282 HydrophobicContact CB-CG 4.3Å
161G98.3Very high98.8Very high35 Ų3513.4 Ų13.436%0.3617%0.073SC..THydrogen-bonded Turntrans70.30.2178.100000115.6V159V159-G161 PolarHBondContact O-N 2.89Å; V159-G161 VanDerWaalsContact O-N 3.07Å
162Q98.3Very high98.8Very high85 Ų8514.9 Ų14.940%0.3978%0.084SC..THydrogen-bonded Turntrans-121.8-36.6-168.4-74.4-174.581.400114.4V159 D160 L234 T235 L282V159-Q162 PolarHBondContact O-N 3.16Å; D160-Q162 PolarHBondContact O-N 2.92Å; D160-Q162 VanDerWaalsContact O-N 3.1Å; Q162-L234 CarbonylContact O-C 3.59Å; Q162-L234 WeakPolarHBondContact O-CA 3.36Å; Q162-T235 HydrophobicContact CB-CG2 4.18Å; Q162-T235 HydrophobicContact CG-CG2 4.33Å; Q162-T235 PolarHBondContact O-N 3.07Å; Q162-T235 PolarHBondContact O-OG1 3.37Å; Q162-L282 HydrophobicContact CB-CD1 4.17Å; Q162-L282 HydrophobicContact CG-CD1 4.49Å; Q162-L282 VanDerWaalsContact NE2-CD1 3.28Å
163I98.9Very high98.8Very high3 Ų315 Ų152%0.0159%0.093CC..EExtended strand (participates in β ladder)trans-107.3115.7-179.6-55.6-179.7000108.9V159 L236 L278 L282V159-I163 HydrophobicContact CB-CB 4.25Å; V159-I163 PolarHBondContact N-O 3.48Å; V159-I163 PolarHBondContact O-N 2.84Å; V159-I163 VanDerWaalsContact O-N 3.15Å; I163-L236 WeakPolarHBondContact CA-O 3.43Å; I163-L236 HydrophobicContact CD1-CD2 4.39Å; I163-L236 HydrophobicContact CG1-CB 4.24Å; I163-L236 HydrophobicContact CG2-CB 4.19Å; I163-L236 HydrophobicContact CG2-CD2 4.07Å; I163-L236 HydrophobicContact CG2-CG 4.16Å; I163-L278 HydrophobicContact CD1-CD1 3.75Å; I163-L278 HydrophobicContact CD1-CD2 3.54Å; I163-L278 HydrophobicContact CD1-CG 4.32Å; I163-L282 HydrophobicContact CD1-CD2 4.18Å
164F98.9Very high98.7Very high0 Ų015.2 Ų15.20%010%0.095CC..EExtended strand (participates in β ladder)trans-92.8119179.5177.7-119.6000110.2T156 L158 L166 L170 L177 I180 F228 L234 L236 V237 S238T156-F164 HydrophobicContact CG2-CE2 3.88Å; T156-F164 HydrophobicContact CG2-CZ 3.7Å; L158-F164 HydrophobicContact CD1-CB 4.42Å; F164-L166 HydrophobicContact CD1-CD2 4.05Å; F164-L166 HydrophobicContact CE1-CD1 3.75Å; F164-L166 HydrophobicContact CE1-CD2 3.87Å; F164-L166 HydrophobicContact CE1-CG 4.29Å; F164-L166 HydrophobicContact CZ-CD1 4.11Å; F164-L170 HydrophobicContact CE1-CD2 4.38Å; F164-L177 HydrophobicContact CD2-CD2 3.65Å; F164-L177 HydrophobicContact CE2-CD2 3.61Å; F164-L177 HydrophobicContact CG-CD2 4.3Å; F164-L177 HydrophobicContact CZ-CD2 4.24Å; F164-I180 HydrophobicContact CE1-CD1 4.46Å; F164-I180 HydrophobicContact CE2-CD1 3.84Å; F164-I180 HydrophobicContact CZ-CD1 3.43Å; F164-I180 VanDerWaalsContact CZ-CD1 3.43Å; F164-F228 AromaticContact CD1-CE1 3.82Å; F164-F228 HydrophobicContact CD1-CE1 3.82Å; F164-F228 HydrophobicContact CD1-CZ 4.47Å; F164-F228 AromaticContact CE1-CE1 3.9Å; F164-F228 HydrophobicContact CE1-CE1 3.9Å; F164-F228 HydrophobicContact CE1-CZ 4.13Å; F164-F228 HydrophobicContact CG-CE1 4.5Å; F164-L234 HydrophobicContact CB-CD1 3.58Å; F164-L234 HydrophobicContact CB-CD2 3.99Å; F164-L234 HydrophobicContact CB-CG 4.35Å; F164-L234 HydrophobicContact CD1-CD1 4.39Å; F164-L234 HydrophobicContact CG-CD1 4.11Å; F164-L236 PolarHBondContact N-O 3.38Å; F164-V237 HydrophobicContact CD1-CG1 4.22Å; F164-V237 HydrophobicContact CD1-CG2 4.33Å; F164-V237 CarbonylContact O-C 3.54Å; F164-V237 WeakPolarHBondContact O-CA 3.29Å; F164-S238 PolarHBondContact O-N 2.94Å
165C98.9Very high98.7Very high0 Ų020.2 Ų20.20%012%0.121CC..EExtended strand (participates in β ladder)trans-111.2132.9-175.9-59.70000111.3L81 M83 L114 T156 A157 S238L81-C165 HydrophobicContact CD1-CB 4.05Å; L81-C165 HydrophobicContact CD2-CB 4.05Å; M83-C165 HydrophobicContact SD-CB 4.29Å; L114-C165 HydrophobicContact CD1-CB 4.46Å; T156-C165 CarbonylContact C-O 3.16Å; T156-C165 VanDerWaalsContact CA-O 3.27Å; T156-C165 WeakPolarHBondContact CA-O 3.27Å; T156-C165 WeakPolarHBondContact CB-O 3.43Å; A157-C165 HydrophobicContact CB-CB 4.27Å; A157-C165 PolarHBondContact N-O 2.98Å; A157-C165 PolarHBondContact O-N 3.19Å; C165-S238 VanDerWaalsContact CA-O 3.24Å; C165-S238 WeakPolarHBondContact CA-O 3.46Å
166L98.9Very high98.7Very high0 Ų022.4 Ų22.40%014%0.135CC..EExtended strand (participates in β ladder)trans-157.2163177.372.3176.4000111T156 F164 G169 L198 V237 S238 R239T156-L166 HydrophobicContact CG2-CB 3.82Å; F164-L166 HydrophobicContact CD1-CD2 4.05Å; F164-L166 HydrophobicContact CE1-CD1 3.75Å; F164-L166 HydrophobicContact CE1-CD2 3.87Å; F164-L166 HydrophobicContact CE1-CG 4.29Å; F164-L166 HydrophobicContact CZ-CD1 4.11Å; L166-G169 VanDerWaalsContact CD1-O 3.31Å; L166-G169 WeakPolarHBondContact CD1-O 3.44Å; L166-L198 HydrophobicContact CD1-CD2 3.72Å; L166-V237 HydrophobicContact CD2-CG1 3.48Å; L166-V237 VanDerWaalsContact CD2-CG1 3.48Å; L166-S238 PolarHBondContact N-O 3.24Å; L166-S238 VanDerWaalsContact N-O 3.15Å; L166-R239 HydrophobicContact CD2-CB 3.92Å; L166-R239 WeakPolarHBondContact O-CA 3.24Å; L166-R239 WeakPolarHBondContact O-CB 3.38Å
167H98.9Very high98.7Very high0 Ų023 Ų230%014%0.138CC..SBendtrans-68.6-62.9178.2-169.854.1000112.5D57 M83 D85 G116 N117 L199 R239 A240 H241D57-H167 IonicContact OD1-CE1 2.83Å; D57-H167 PolarHBondContact OD1-CE1 3.01Å; D57-H167 IonicContact OD1-ND1 3.49Å; D57-H167 IonicContact OD2-CE1 2.61Å; M83-H167 WeakPolarHBondContact O-CA 3.17Å; M83-H167 WeakPolarHBondContact O-CB 3.37Å; M83-H167 PolarHBondContact O-ND1 3.31Å; D85-H167 IonicContact OD1-CD2 2.83Å; D85-H167 IonicContact OD1-CE1 3.68Å; D85-H167 IonicContact OD1-NE2 3.42Å; D85-H167 PolarHBondContact OD1-NE2 3Å; D85-H167 VanDerWaalsContact OD1-NE2 3.15Å; D85-H167 IonicContact OD2-CE1 2.83Å; D85-H167 PolarHBondContact OD2-CE1 2.85Å; D85-H167 IonicContact OD2-NE2 3.94Å; D85-H167 PolarHBondContact OD2-NE2 2.93Å; G116-H167 VanDerWaalsContact CA-CD2 3.46Å; G116-H167 WeakPolarHBondContact CA-CD2 3.24Å; N117-H167 PolarHBondContact N-CD2 2.96Å; N117-H167 VanDerWaalsContact N-CD2 3.26Å; N117-H167 PolarHBondContact OD1-CD2 3.19Å; N117-H167 VanDerWaalsContact OD1-CD2 3.24Å; N117-H167 PolarHBondContact OD1-NE2 3.17Å; H167-L199 HydrophobicContact CB-CD2 4.2Å; H167-L199 PolarHBondContact CD2-O 2.83Å; H167-R239 PolarHBondContact O-NE 3.16Å; H167-R239 PolarHBondContact O-NH2 3.48Å; H167-A240 CarbonylContact O-C 3.46Å; H167-A240 PolarHBondContact O-N 3.06Å; H167-H241 AromaticContact CD2-ND1 3.87Å; H167-H241 AromaticContact NE2-CG 3.84Å; H167-H241 AromaticContact NE2-ND1 3.38Å; H167-H241 PolarHBondContact NE2-ND1 3.42Å
168G98.8Very high98.7Very high0 Ų027.9 Ų27.90%016%0.164CC..SBendtrans-78.3-114.8-175.900000111.8L198 S201 R239G168-L198 WeakPolarHBondContact CA-O 3.34Å; G168-L198 PolarHBondContact N-O 2.94Å; G168-S201 CarbonylContact C-O 3.58Å; G168-R239 WeakPolarHBondContact O-CB 3.45Å; G168-R239 PolarHBondContact O-NE 2.99Å; G168-R239 PolarHBondContact O-NH2 3.45Å
169G98.6Very high98.7Very high0 Ų031.3 Ų31.30%018%0.18CC..  trans-163.1-161.8-175.800000112.7L166 L198 S201L166-G169 VanDerWaalsContact CD1-O 3.31Å; L166-G169 WeakPolarHBondContact CD1-O 3.44Å; G169-L198 PolarHBondContact N-O 3.45Å; G169-L198 WeakPolarHBondContact O-CA 3.31Å; G169-S201 PolarHBondContact N-O 3.4Å
170L98.9Very high98.7Very high2 Ų231.3 Ų31.31%0.0118%0.18CC..  trans-73.3158.4-174.5-54.5179.8000111.4F164 S201 W209 F220 I224 F228F164-L170 HydrophobicContact CE1-CD2 4.38Å; L170-S201 VanDerWaalsContact O-CB 3.28Å; L170-S201 WeakPolarHBondContact O-CB 3.44Å; L170-S201 PolarHBondContact O-OG 3.14Å; L170-W209 HydrophobicContact CB-CH2 3.72Å; L170-W209 HydrophobicContact CB-CZ3 4.25Å; L170-W209 WeakPolarHBondContact O-CZ3 3.42Å; L170-F220 HydrophobicContact CB-CD1 4.36Å; L170-F220 HydrophobicContact CB-CD2 4.39Å; L170-F220 HydrophobicContact CB-CG 4.25Å; L170-F220 HydrophobicContact CD1-CD2 3.97Å; L170-F220 HydrophobicContact CD1-CE2 4.1Å; L170-F220 HydrophobicContact CG-CD2 4.2Å; L170-F220 HydrophobicContact CG-CE2 4.09Å; L170-F220 HydrophobicContact CG-CZ 4.37Å; L170-I224 HydrophobicContact CD1-CG2 4.02Å; L170-F228 HydrophobicContact CD1-CB 3.76Å; L170-F228 HydrophobicContact CD1-CD1 4.36Å; L170-F228 HydrophobicContact CD1-CG 4.04Å; L170-F228 HydrophobicContact CD2-CB 4.45Å; L170-F228 HydrophobicContact CD2-CD1 3.62Å; L170-F228 HydrophobicContact CD2-CD2 4.18Å; L170-F228 HydrophobicContact CD2-CE1 3.8Å; L170-F228 HydrophobicContact CD2-CE2 4.34Å; L170-F228 HydrophobicContact CD2-CG 3.82Å; L170-F228 HydrophobicContact CD2-CZ 4.16Å
171S98.8Very high98.7Very high2 Ų232.8 Ų32.81%0.01418%0.181CC..  trans-123.1140.4178174.10000110.7S173 I174 D197 W209S171-S173 PolarHBondContact O-N 3.38Å; S171-S173 VanDerWaalsContact O-N 3.13Å; S171-S173 PolarHBondContact OG-N 3.26Å; S171-I174 PolarHBondContact O-N 3.24Å; S171-I174 VanDerWaalsContact O-N 3.09Å; S171-D197 VanDerWaalsContact CB-CB 3.42Å; S171-D197 WeakPolarHBondContact CB-OD2 3.4Å; S171-D197 WeakPolarHBondContact OG-CB 3.18Å; S171-D197 PolarHBondContact OG-OD2 3.3Å; S171-W209 WeakPolarHBondContact O-CH2 3.13Å
172P98.5Very high98.7Very high49 Ų4935.2 Ų35.232%0.31820%0.198SC..THydrogen-bonded Turntrans-65.7-11.1171.428.2-34.9000113.1W209 Y218P172-W209 HydrophobicContact CB-CD2 4Å; P172-W209 HydrophobicContact CB-CE3 4.44Å; P172-W209 HydrophobicContact CB-CG 4.37Å; P172-W209 HydrophobicContact CB-CZ2 4.1Å; P172-W209 HydrophobicContact CG-CD2 4.5Å; P172-W209 VanDerWaalsContact N-CH2 3.33Å; P172-Y218 VanDerWaalsContact CD-CD2 3.48Å; P172-Y218 HydrophobicContact CG-CD1 4.33Å; P172-Y218 HydrophobicContact CG-CD2 3.71Å; P172-Y218 HydrophobicContact CG-CE1 4.2Å; P172-Y218 HydrophobicContact CG-CE2 3.57Å; P172-Y218 HydrophobicContact CG-CG 4.1Å
173S98.3Very high98.8Very high67 Ų6733 Ų3347%0.46919%0.188SC..THydrogen-bonded Turntrans-92.50.7176-550000113.1S171S171-S173 PolarHBondContact O-N 3.38Å; S171-S173 VanDerWaalsContact O-N 3.13Å; S171-S173 PolarHBondContact OG-N 3.26Å
174I98.7Very high98.8Very high7 Ų737.8 Ų37.84%0.03621%0.214CC..  trans-134.199.3-170.6-56.1177.5000110S171 H179 I180 L183 P194 L198 F228S171-I174 PolarHBondContact O-N 3.24Å; S171-I174 VanDerWaalsContact O-N 3.09Å; I174-H179 HydrophobicContact CG2-CB 4.11Å; I174-I180 HydrophobicContact CD1-CG1 4.18Å; I174-I180 HydrophobicContact CG2-CD1 3.97Å; I174-I180 HydrophobicContact CG2-CG1 3.44Å; I174-I180 VanDerWaalsContact CG2-CG1 3.44Å; I174-L183 HydrophobicContact CD1-CD1 4.46Å; I174-P194 HydrophobicContact CD1-CB 3.63Å; I174-P194 HydrophobicContact CG1-CB 3.72Å; I174-L198 HydrophobicContact CD1-CD1 3.69Å; I174-L198 HydrophobicContact CD1-CD2 3.84Å; I174-L198 HydrophobicContact CD1-CG 3.63Å; I174-F228 HydrophobicContact CG2-CE2 4.34Å
175D98.4Very high98.7Very high105 Ų10538.6 Ų38.656%0.56122%0.217SC*.SBendtrans-88.8-29.4173.7-53.2-56000113H179 N232D175-H179 PolarHBondContact N-ND1 3.44Å; D175-H179 IonicContact OD2-CE1 3.67Å; D175-N232 PolarHBondContact O-ND2 2.75Å
176T98.8Very high98.7Very high46 Ų4642.3 Ų42.328%0.28224%0.236SC..SBendtrans-131155.8-172.968.90000113.1D178 H179 N232T176-D178 PolarHBondContact O-N 2.9Å; T176-H179 WeakPolarHBondContact O-CB 3.48Å; T176-H179 PolarHBondContact O-N 2.8Å; T176-H179 VanDerWaalsContact O-N 3.08Å; T176-H179 PolarHBondContact OG1-CD2 2.84Å; T176-H179 VanDerWaalsContact OG1-CD2 3.27Å; T176-H179 PolarHBondContact OG1-N 2.86Å; T176-N232 WeakPolarHBondContact CA-OD1 3.34Å
177L98.9Very high98.7Very high13 Ų1346.3 Ų46.37%0.06826%0.255CS..Hα-helixtrans-58-29.6172.5-62.9179.2000112.5L158 F164 H179 I180 R181 F228 N232 L234L158-L177 HydrophobicContact CD1-CD1 4.27Å; L158-L177 HydrophobicContact CD2-CD1 3.84Å; F164-L177 HydrophobicContact CD2-CD2 3.65Å; F164-L177 HydrophobicContact CE2-CD2 3.61Å; F164-L177 HydrophobicContact CG-CD2 4.3Å; F164-L177 HydrophobicContact CZ-CD2 4.24Å; L177-H179 VanDerWaalsContact C-N 3.34Å; L177-H179 PolarHBondContact O-N 3.5Å; L177-I180 HydrophobicContact CD2-CD1 4.24Å; L177-I180 WeakPolarHBondContact O-CB 3.32Å; L177-I180 PolarHBondContact O-N 2.81Å; L177-R181 WeakPolarHBondContact O-CG 3.02Å; L177-R181 PolarHBondContact O-N 3.45Å; L177-F228 HydrophobicContact CD2-CZ 4.21Å; L177-N232 HydrophobicContact CD1-CB 4.42Å; L177-N232 HydrophobicContact CG-CB 4.17Å; L177-N232 PolarHBondContact N-OD1 2.83Å; L177-L234 HydrophobicContact CD1-CD2 4.41Å
178D98.8Very high98.7Very high102 Ų10249 Ų4955%0.54527%0.267SS..Hα-helixtrans-69-31177.2-73.2-26.8000112.8T176 I180 R181 A182T176-D178 PolarHBondContact O-N 2.9Å; D178-I180 PolarHBondContact O-N 3.02Å; D178-R181 PolarHBondContact O-N 2.84Å; D178-R181 IonicContact OD1-CZ 2.85Å; D178-R181 IonicContact OD1-NH1 3.15Å; D178-R181 PolarHBondContact OD1-NH1 3.18Å; D178-A182 PolarHBondContact O-N 3.38Å; D178-A182 VanDerWaalsContact O-N 3.07Å
179H98.8Very high98.7Very high80 Ų8049.5 Ų49.537%0.3727%0.27SS..Hα-helixtrans-61.1-37.2171.4-64.3176.7000111I174 D175 T176 L177 A182I174-H179 HydrophobicContact CG2-CB 4.11Å; D175-H179 PolarHBondContact N-ND1 3.44Å; D175-H179 IonicContact OD2-CE1 3.67Å; T176-H179 WeakPolarHBondContact O-CB 3.48Å; T176-H179 PolarHBondContact O-N 2.8Å; T176-H179 VanDerWaalsContact O-N 3.08Å; T176-H179 PolarHBondContact OG1-CD2 2.84Å; T176-H179 VanDerWaalsContact OG1-CD2 3.27Å; T176-H179 PolarHBondContact OG1-N 2.86Å; L177-H179 VanDerWaalsContact C-N 3.34Å; L177-H179 PolarHBondContact O-N 3.5Å; H179-A182 PolarHBondContact O-N 3.43Å
180I98.9Very high98.7Very high0 Ų051.5 Ų51.50%028%0.283CS..Hα-helixtrans-68.7-44.6176.2-50.8179.3000110.7N44 V45 T156 F164 I174 L177 D178 A182 L183 L198N44-I180 HydrophobicContact CB-CG2 4.17Å; N44-I180 WeakPolarHBondContact CB-O 3.28Å; N44-I180 PolarHBondContact ND2-O 3.19Å; V45-I180 HydrophobicContact CG2-CB 3.66Å; V45-I180 HydrophobicContact CG2-CD1 4.49Å; V45-I180 HydrophobicContact CG2-CG2 3.65Å; T156-I180 HydrophobicContact CG2-CD1 4.34Å; T156-I180 HydrophobicContact CG2-CG2 4.11Å; F164-I180 HydrophobicContact CE1-CD1 4.46Å; F164-I180 HydrophobicContact CE2-CD1 3.84Å; F164-I180 HydrophobicContact CZ-CD1 3.43Å; F164-I180 VanDerWaalsContact CZ-CD1 3.43Å; I174-I180 HydrophobicContact CD1-CG1 4.18Å; I174-I180 HydrophobicContact CG2-CD1 3.97Å; I174-I180 HydrophobicContact CG2-CG1 3.44Å; I174-I180 VanDerWaalsContact CG2-CG1 3.44Å; L177-I180 HydrophobicContact CD2-CD1 4.24Å; L177-I180 WeakPolarHBondContact O-CB 3.32Å; L177-I180 PolarHBondContact O-N 2.81Å; D178-I180 PolarHBondContact O-N 3.02Å; I180-A182 PolarHBondContact O-N 2.73Å; I180-L183 WeakPolarHBondContact O-CB 3.4Å; I180-L183 PolarHBondContact O-N 2.89Å; I180-L183 VanDerWaalsContact O-N 3.15Å; I180-L198 HydrophobicContact CD1-CD2 4.16Å; I180-L198 HydrophobicContact CG1-CD1 4.41Å; I180-L198 HydrophobicContact CG2-CD1 3.93Å
181R98.8Very high98.5Very high93 Ų9357.9 Ų57.935%0.35131%0.313SS..Hα-helixtrans-58.6-29.8177.2-67.7-178.1-176.7106.32.6112.7V45 E47 L177 D178V45-R181 HydrophobicContact CB-CG 4.02Å; V45-R181 HydrophobicContact CG2-CG 3.69Å; E47-R181 IonicContact OE1-NH2 2.94Å; E47-R181 PolarHBondContact OE1-NH2 3.45Å; L177-R181 WeakPolarHBondContact O-CG 3.02Å; L177-R181 PolarHBondContact O-N 3.45Å; D178-R181 PolarHBondContact O-N 2.84Å; D178-R181 IonicContact OD1-CZ 2.85Å; D178-R181 IonicContact OD1-NH1 3.15Å; D178-R181 PolarHBondContact OD1-NH1 3.18Å
182A98.7Very high98.4Very high86 Ų8665.6 Ų65.671%0.71135%0.349SS*.THydrogen-bonded Turntrans-80.7-12.5-179.600000114.8D178 H179 I180D178-A182 PolarHBondContact O-N 3.38Å; D178-A182 VanDerWaalsContact O-N 3.07Å; H179-A182 PolarHBondContact O-N 3.43Å; I180-A182 PolarHBondContact O-N 2.73Å
183L98.8Very high98.4Very high39 Ų3964.4 Ų64.420%0.20435%0.345CS..SBendtrans-66.4144179.4-61.1176.2000111.5N44 L155 I174 I180 R185 P194 L198N44-L183 PolarHBondContact ND2-O 3.45Å; L155-L183 HydrophobicContact CD1-CB 4.49Å; L155-L183 HydrophobicContact CD1-CD1 3.96Å; I174-L183 HydrophobicContact CD1-CD1 4.46Å; I180-L183 WeakPolarHBondContact O-CB 3.4Å; I180-L183 PolarHBondContact O-N 2.89Å; I180-L183 VanDerWaalsContact O-N 3.15Å; L183-R185 PolarHBondContact O-N 2.77Å; L183-P194 HydrophobicContact CD1-CB 4.14Å; L183-P194 HydrophobicContact CD2-CB 3.94Å; L183-P194 HydrophobicContact CD2-CG 3.57Å; L183-L198 HydrophobicContact CD1-CD1 3.94Å
184D98.6Very high98.5Very high102 Ų10263 Ų6355%0.54534%0.335SS..  trans-86.7101.9164.7-176.46.5000108.9L186 Q187D184-L186 VanDerWaalsContact C-N 3.35Å; D184-L186 PolarHBondContact OD1-N 3.15Å; D184-L186 VanDerWaalsContact OD1-N 3.13Å; D184-Q187 PolarHBondContact O-NE2 3.38Å
185R98.8Very high98.5Very high18 Ų1863.1 Ų63.17%0.06834%0.335CS..  trans-80.9-14.2-179.474169.5-176.5-79.32113.9L39 E42 N44 D151 Y152 L153 L155 L183 Q187L39-R185 PolarHBondContact O-NH2 3.03Å; E42-R185 VanDerWaalsContact O-CZ 3.31Å; E42-R185 PolarHBondContact O-NH1 3.33Å; E42-R185 PolarHBondContact O-NH2 2.87Å; N44-R185 WeakPolarHBondContact OD1-CD 3.16Å; N44-R185 VanDerWaalsContact OD1-CG 3.28Å; N44-R185 WeakPolarHBondContact OD1-CG 3.48Å; N44-R185 PolarHBondContact OD1-NH1 2.85Å; D151-R185 VanDerWaalsContact O-O 3.09Å; Y152-R185 PolarHBondContact O-NE 3.46Å; Y152-R185 PolarHBondContact O-NH2 2.9Å; L153-R185 VanDerWaalsContact O-CD 3.28Å; L153-R185 WeakPolarHBondContact O-CD 3.46Å; L155-R185 HydrophobicContact CD1-CB 4.06Å; L155-R185 HydrophobicContact CD2-CB 4.14Å; L155-R185 HydrophobicContact CG-CB 3.97Å; L183-R185 PolarHBondContact O-N 2.77Å; R185-Q187 PolarHBondContact O-N 2.78Å
186L98.6Very high98.5Very high78 Ų7858.1 Ų58.141%0.40831%0.308SS..SBendtrans-78.754.2-169.2-59.4-177.6000112D151 Y152 D184D151-L186 WeakPolarHBondContact O-CD2 3.46Å; Y152-L186 HydrophobicContact CD1-CD2 3.8Å; Y152-L186 HydrophobicContact CE1-CD2 4.1Å; Y152-L186 HydrophobicContact CG-CD2 4.02Å; D184-L186 VanDerWaalsContact C-N 3.35Å; D184-L186 PolarHBondContact OD1-N 3.15Å; D184-L186 VanDerWaalsContact OD1-N 3.13Å
187Q98.6Very high98.5Very high84 Ų8456.1 Ų56.139%0.39330%0.296SS..SBendtrans-151.7166.5-177.559.5-175.9-57.100110.1R115 D151 D184 R185 M195R115-Q187 PolarHBondContact NH1-O 3.43Å; D151-Q187 VanDerWaalsContact OD1-O 3.12Å; D184-Q187 PolarHBondContact O-NE2 3.38Å; R185-Q187 PolarHBondContact O-N 2.78Å; Q187-M195 HydrophobicContact CG-CE 4.49Å; Q187-M195 HydrophobicContact CG-SD 4.11Å
188E98.7Very high98.5Very high55 Ų5555.5 Ų55.526%0.25729%0.293SS..PPolyproline II helixtrans-59.8146.5166.9-179.664.3-170.100110.1S120 R121 Q122 P190S120-E188 VanDerWaalsContact CB-OE1 3.29Å; S120-E188 WeakPolarHBondContact CB-OE1 3.16Å; R121-E188 WeakPolarHBondContact CD-OE2 3.14Å; R121-E188 VanDerWaalsContact CG-OE2 3.31Å; R121-E188 WeakPolarHBondContact CG-OE2 3.44Å; R121-E188 IonicContact CZ-OE2 3.99Å; R121-E188 PolarHBondContact N-OE1 3.33Å; R121-E188 PolarHBondContact N-OE2 3.49Å; R121-E188 IonicContact NE-OE2 3.36Å; R121-E188 IonicContact NH1-OE2 2.88Å; R121-E188 PolarHBondContact NH1-OE2 2.92Å; Q122-E188 PolarHBondContact N-OE1 2.99Å; E188-P190 WeakPolarHBondContact O-CD 3.41Å
189V98.6Very high98.5Very high11 Ų1150.7 Ų50.77%0.06727%0.267CS..PPolyproline II helixtrans-58.5118.9176.1-177.20000109.7M195 L199V189-M195 HydrophobicContact CG2-CE 4.19Å; V189-L199 HydrophobicContact CB-CD1 4.45Å; V189-L199 HydrophobicContact CG1-CD1 3.92Å; V189-L199 HydrophobicContact CG2-CD1 3.61Å
190P98.3Very high98.5Very high42 Ų4248.7 Ų48.727%0.27326%0.256SS..PPolyproline II helixtrans-65.4160.2177-22.235000112E188 E192 C196E188-P190 WeakPolarHBondContact O-CD 3.41Å; P190-E192 VanDerWaalsContact C-N 3.28Å; P190-E192 WeakPolarHBondContact CB-O 3.11Å; P190-E192 PolarHBondContact O-N 3.38Å; P190-C196 VanDerWaalsContact O-CB 3.31Å; P190-C196 WeakPolarHBondContact O-CB 3.47Å; P190-C196 PolarHBondContact O-SG 3.15Å
191H95.8Very high98.5Very high137 Ų13748.7 Ų48.763%0.63426%0.256SS*.SBendtrans-72.6-21174.1-56.7-54000113.2Q122 C196Q122-H191 PolarHBondContact OE1-CE1 2.95Å; Q122-H191 PolarHBondContact OE1-ND1 3.21Å; H191-C196 PolarHBondContact O-SG 2.85Å; H191-C196 VanDerWaalsContact O-SG 3.33Å
192E97.3Very high98.5Very high164 Ų16444.5 Ų44.577%0.76624%0.241SC*.SBendtrans-147.6164.7-18064.3180-167.400111.5P190P190-E192 VanDerWaalsContact C-N 3.28Å; P190-E192 WeakPolarHBondContact CB-O 3.11Å; P190-E192 PolarHBondContact O-N 3.38Å
193G98.4Very high98.5Very high23 Ų2341.2 Ų41.224%0.23721%0.212CC..SBendtrans99.1179.2176.400000113.8M195 C196 D197G193-M195 VanDerWaalsContact C-N 3.33Å; G193-M195 PolarHBondContact O-N 3.24Å; G193-C196 WeakPolarHBondContact O-CA 3.18Å; G193-C196 VanDerWaalsContact O-CB 3.3Å; G193-C196 WeakPolarHBondContact O-CB 3.16Å; G193-C196 PolarHBondContact O-N 3.48Å; G193-D197 VanDerWaalsContact O-CG 3.26Å; G193-D197 PolarHBondContact O-N 3.48Å
194P98.6Very high98.4Very high39 Ų3940.8 Ų40.825%0.25321%0.21SC..Hα-helixtrans-57.5-40.2-165.619-32.7000114.1I174 L183 D197 L198I174-P194 HydrophobicContact CD1-CB 3.63Å; I174-P194 HydrophobicContact CG1-CB 3.72Å; L183-P194 HydrophobicContact CD1-CB 4.14Å; L183-P194 HydrophobicContact CD2-CB 3.94Å; L183-P194 HydrophobicContact CD2-CG 3.57Å; P194-D197 PolarHBondContact O-N 3.42Å; P194-L198 VanDerWaalsContact O-CG 3.3Å; P194-L198 WeakPolarHBondContact O-CG 3.41Å; P194-L198 PolarHBondContact O-N 3.37Å; P194-L198 VanDerWaalsContact O-N 3.1Å
195M98.8Very high98.3Very high8 Ų843.8 Ų43.84%0.03923%0.226CC..Hα-helixtrans-68.2-37.3177.3179.5175.317000112.4L155 Q187 V189 G193 L199L155-M195 HydrophobicContact CD1-CG 4.13Å; L155-M195 HydrophobicContact CD2-CE 4.05Å; L155-M195 HydrophobicContact CD2-CG 4.04Å; L155-M195 HydrophobicContact CD2-SD 4.47Å; Q187-M195 HydrophobicContact CG-CE 4.49Å; Q187-M195 HydrophobicContact CG-SD 4.11Å; V189-M195 HydrophobicContact CG2-CE 4.19Å; G193-M195 VanDerWaalsContact C-N 3.33Å; G193-M195 PolarHBondContact O-N 3.24Å; M195-L199 WeakPolarHBondContact O-CG 3.32Å
196C98.8Very high98.2Very high0 Ų050.3 Ų50.30%025%0.251CS..Hα-helixtrans-63.3-501741800000109.9P190 H191 G193 L198 L199 W200P190-C196 VanDerWaalsContact O-CB 3.31Å; P190-C196 WeakPolarHBondContact O-CB 3.47Å; P190-C196 PolarHBondContact O-SG 3.15Å; H191-C196 PolarHBondContact O-SG 2.85Å; H191-C196 VanDerWaalsContact O-SG 3.33Å; G193-C196 WeakPolarHBondContact O-CA 3.18Å; G193-C196 VanDerWaalsContact O-CB 3.3Å; G193-C196 WeakPolarHBondContact O-CB 3.16Å; G193-C196 PolarHBondContact O-N 3.48Å; C196-L198 VanDerWaalsContact C-N 3.33Å; C196-L198 PolarHBondContact O-N 2.77Å; C196-L199 PolarHBondContact O-N 2.78Å; C196-W200 WeakPolarHBondContact O-CB 3.3Å; C196-W200 VanDerWaalsContact O-CD1 3.29Å; C196-W200 PolarHBondContact O-N 3.2Å
197D98.8Very high98.2Very high4 Ų449.5 Ų49.52%0.02126%0.262CS..Hα-helixtrans-60-40.9-176.3-61.2-19.9000112.7S171 G193 P194 L199 W200 S201 G217S171-D197 VanDerWaalsContact CB-CB 3.42Å; S171-D197 WeakPolarHBondContact CB-OD2 3.4Å; S171-D197 WeakPolarHBondContact OG-CB 3.18Å; S171-D197 PolarHBondContact OG-OD2 3.3Å; G193-D197 VanDerWaalsContact O-CG 3.26Å; G193-D197 PolarHBondContact O-N 3.48Å; P194-D197 PolarHBondContact O-N 3.42Å; D197-L199 PolarHBondContact O-N 3.01Å; D197-L199 VanDerWaalsContact O-N 3.16Å; D197-W200 PolarHBondContact O-N 2.76Å; D197-S201 WeakPolarHBondContact CA-OG 3.43Å; D197-S201 WeakPolarHBondContact O-CB 3.14Å; D197-S201 PolarHBondContact O-N 3.27Å; D197-S201 PolarHBondContact O-OG 2.99Å; D197-G217 WeakPolarHBondContact OD1-CA 3.47Å
198L98.9Very high98.2Very high1 Ų146.4 Ų46.41%0.00525%0.252CS..Hα-helixtrans-59.3-24.2176.3-74.2172.2000113.4L155 T156 L166 G168 G169 I174 I180 L183 P194 C196L155-L198 HydrophobicContact CB-CD1 4.4Å; L155-L198 HydrophobicContact CD1-CD1 4.14Å; T156-L198 HydrophobicContact CG2-CD1 4.3Å; T156-L198 HydrophobicContact CG2-CD2 4.2Å; L166-L198 HydrophobicContact CD1-CD2 3.72Å; G168-L198 WeakPolarHBondContact CA-O 3.34Å; G168-L198 PolarHBondContact N-O 2.94Å; G169-L198 PolarHBondContact N-O 3.45Å; G169-L198 WeakPolarHBondContact O-CA 3.31Å; I174-L198 HydrophobicContact CD1-CD1 3.69Å; I174-L198 HydrophobicContact CD1-CD2 3.84Å; I174-L198 HydrophobicContact CD1-CG 3.63Å; I180-L198 HydrophobicContact CD1-CD2 4.16Å; I180-L198 HydrophobicContact CG1-CD1 4.41Å; I180-L198 HydrophobicContact CG2-CD1 3.93Å; L183-L198 HydrophobicContact CD1-CD1 3.94Å; P194-L198 VanDerWaalsContact O-CG 3.3Å; P194-L198 WeakPolarHBondContact O-CG 3.41Å; P194-L198 PolarHBondContact O-N 3.37Å; P194-L198 VanDerWaalsContact O-N 3.1Å; C196-L198 VanDerWaalsContact C-N 3.33Å; C196-L198 PolarHBondContact O-N 2.77Å
199L98.9Very high98.2Very high0 Ų048.5 Ų48.50%026%0.257CS..Hα-helixtrans-103.5-18.8-177.5-56.6-178.1000113.2R115 N117 H167 V189 M195 C196 D197R115-L199 HydrophobicContact CB-CD2 4.39Å; R115-L199 HydrophobicContact CG-CD1 4.38Å; R115-L199 WeakPolarHBondContact O-CD2 3.42Å; N117-L199 HydrophobicContact CB-CB 4.3Å; H167-L199 HydrophobicContact CB-CD2 4.2Å; H167-L199 PolarHBondContact CD2-O 2.83Å; V189-L199 HydrophobicContact CB-CD1 4.45Å; V189-L199 HydrophobicContact CG1-CD1 3.92Å; V189-L199 HydrophobicContact CG2-CD1 3.61Å; M195-L199 WeakPolarHBondContact O-CG 3.32Å; C196-L199 PolarHBondContact O-N 2.78Å; D197-L199 PolarHBondContact O-N 3.01Å; D197-L199 VanDerWaalsContact O-N 3.16Å
200W98.8Very high98.1Very high39 Ų3948.9 Ų48.915%0.14826%0.263CS..Hα-helixtrans-121.6-16-170.9-75.595.4000115.7N117 I123 C196 D197 R214 A216 H241N117-W200 HydrophobicContact CB-CD2 3.94Å; N117-W200 HydrophobicContact CB-CG 4.33Å; N117-W200 HydrophobicContact CB-CH2 4.4Å; N117-W200 HydrophobicContact CB-CZ2 3.77Å; N117-W200 WeakPolarHBondContact ND2-CH2 3.46Å; I123-W200 HydrophobicContact CD1-CH2 3.87Å; I123-W200 HydrophobicContact CD1-CZ2 3.78Å; I123-W200 HydrophobicContact CG1-CH2 4.48Å; I123-W200 HydrophobicContact CG1-CZ2 4.04Å; C196-W200 WeakPolarHBondContact O-CB 3.3Å; C196-W200 VanDerWaalsContact O-CD1 3.29Å; C196-W200 PolarHBondContact O-N 3.2Å; D197-W200 PolarHBondContact O-N 2.76Å; W200-R214 HydrophobicContact CE3-CB 4.19Å; W200-R214 HydrophobicContact CZ3-CB 4.38Å; W200-A216 HydrophobicContact CB-CB 4.14Å; W200-A216 HydrophobicContact CD2-CB 3.87Å; W200-A216 HydrophobicContact CE3-CB 4.22Å; W200-A216 HydrophobicContact CG-CB 3.84Å; W200-H241 AromaticContact CE3-CE1 3.98Å
201S98.9Very high98.1Very high0 Ų054 Ų540%029%0.287CS..  trans-74.9153.7-174.6-57.80000112.7G168 G169 L170 D197 Y218 R239G168-S201 CarbonylContact C-O 3.58Å; G169-S201 PolarHBondContact N-O 3.4Å; L170-S201 VanDerWaalsContact O-CB 3.28Å; L170-S201 WeakPolarHBondContact O-CB 3.44Å; L170-S201 PolarHBondContact O-OG 3.14Å; D197-S201 WeakPolarHBondContact CA-OG 3.43Å; D197-S201 WeakPolarHBondContact O-CB 3.14Å; D197-S201 PolarHBondContact O-N 3.27Å; D197-S201 PolarHBondContact O-OG 2.99Å; S201-Y218 CarbonylContact C-O 3.6Å; S201-Y218 WeakPolarHBondContact CA-O 3.48Å; S201-Y218 WeakPolarHBondContact CB-O 3.48Å; S201-Y218 PolarHBondContact OG-N 3.41Å; S201-R239 PolarHBondContact O-NH2 3.35Å
202D98.8Very high98.1Very high5 Ų547.8 Ų47.83%0.02726%0.259CS..EExtended strand (participates in β ladder)trans-132.1142.6-173.8-83.1-29.8000113.1R214 Y218 T219 F220 R239 H241 Q242D202-R214 IonicContact OD1-NE 3.54Å; D202-R214 IonicContact OD1-NH2 3.74Å; D202-R214 IonicContact OD2-CZ 3.51Å; D202-R214 IonicContact OD2-NE 3.66Å; D202-R214 PolarHBondContact OD2-NE 3.09Å; D202-R214 IonicContact OD2-NH2 3.37Å; D202-R214 PolarHBondContact OD2-NH2 3.46Å; D202-Y218 PolarHBondContact N-O 2.7Å; D202-T219 CarbonylContact O-C 3.55Å; D202-T219 WeakPolarHBondContact O-CA 3.45Å; D202-F220 VanDerWaalsContact C-CD1 3.48Å; D202-F220 WeakPolarHBondContact O-CD1 3.45Å; D202-F220 WeakPolarHBondContact O-CE1 3.17Å; D202-F220 PolarHBondContact O-N 3.43Å; D202-R239 IonicContact OD1-CZ 2.69Å; D202-R239 IonicContact OD1-NH1 3.7Å; D202-R239 PolarHBondContact OD1-NH1 3.07Å; D202-R239 IonicContact OD1-NH2 3.55Å; D202-H241 IonicContact OD1-CD2 2.75Å; D202-H241 PolarHBondContact OD1-CD2 2.95Å; D202-Q242 VanDerWaalsContact CB-NE2 3.35Å; D202-Q242 WeakPolarHBondContact OD1-CG 3.37Å; D202-Q242 PolarHBondContact OD1-NE2 2.77Å; D202-Q242 PolarHBondContact OD1-OE1 3.04Å; D202-Q242 PolarHBondContact OD2-NE2 3.47Å
203P98.6Very high98.1Very high17 Ų1745.6 Ų45.611%0.1126%0.259CS..EExtended strand (participates in β ladder)trans-64.8149.4167.829.1-34.9000111F220 H252P203-F220 WeakPolarHBondContact CA-O 3.2Å; P203-F220 HydrophobicContact CB-CE1 4.44Å; P203-F220 HydrophobicContact CB-CE2 4.06Å; P203-F220 HydrophobicContact CB-CZ 3.9Å; P203-F220 HydrophobicContact CG-CZ 4.43Å; P203-F220 VanDerWaalsContact N-CE1 3.29Å; P203-H252 WeakPolarHBondContact CB-CE1 3.42Å
204D98Very high97.9Very high30 Ų3049.1 Ų49.116%0.1627%0.265CS..  trans-147.9144.3-175.6-175.1-8.1000110.7R206 T219 F220 H252D204-R206 PolarHBondContact O-N 3.43Å; D204-R206 PolarHBondContact OD1-N 3.25Å; D204-R206 VanDerWaalsContact OD1-N 3.14Å; D204-R206 IonicContact OD1-NE 2.78Å; D204-R206 PolarHBondContact OD1-NE 3.44Å; D204-R206 IonicContact OD2-CZ 3.2Å; D204-R206 IonicContact OD2-NE 3.49Å; D204-R206 PolarHBondContact OD2-NE 2.71Å; D204-R206 IonicContact OD2-NH2 2.69Å; D204-R206 PolarHBondContact OD2-NH2 2.85Å; D204-T219 HydrophobicContact CB-CG2 4.23Å; D204-T219 VanDerWaalsContact OD2-CB 3.29Å; D204-T219 WeakPolarHBondContact OD2-CB 3.31Å; D204-T219 PolarHBondContact OD2-OG1 2.97Å; D204-F220 PolarHBondContact N-O 3.43Å; D204-H252 PolarHBondContact N-NE2 2.83Å; D204-H252 PolarHBondContact O-NE2 3.08Å; D204-H252 VanDerWaalsContact O-NE2 3.15Å
205D96.3Very high97.7Very high164 Ų16450.9 Ų50.988%0.87729%0.29SS*.SBendtrans-68-18.6179.7-65-33.5000112.1
206R96.4Very high97.6Very high155 Ų15551.4 Ų51.459%0.58530%0.296SS*.SBendtrans-76.6132.7174.4-62178-66.8174.73.2110.3D204 G221D204-R206 PolarHBondContact O-N 3.43Å; D204-R206 PolarHBondContact OD1-N 3.25Å; D204-R206 VanDerWaalsContact OD1-N 3.14Å; D204-R206 IonicContact OD1-NE 2.78Å; D204-R206 PolarHBondContact OD1-NE 3.44Å; D204-R206 IonicContact OD2-CZ 3.2Å; D204-R206 IonicContact OD2-NE 3.49Å; D204-R206 PolarHBondContact OD2-NE 2.71Å; D204-R206 IonicContact OD2-NH2 2.69Å; D204-R206 PolarHBondContact OD2-NH2 2.85Å; R206-G221 WeakPolarHBondContact O-CA 3.28Å
207G97.4Very high97.6Very high62 Ų6252 Ų5264%0.63930%0.303SS*.SBendtrans-66.9152.9174.900000113.5D223G207-D223 VanDerWaalsContact CA-OD1 3.32Å; G207-D223 WeakPolarHBondContact CA-OD1 3.49Å
208G98.4Very high97.6Very high18 Ų1856.1 Ų56.119%0.18632%0.318CS..SBendtrans76.7-158.6-179.800000114G221 D223G208-G221 PolarHBondContact O-N 3.33Å; G208-D223 WeakPolarHBondContact CA-OD2 3.28Å; G208-D223 PolarHBondContact N-OD1 2.94Å; G208-D223 PolarHBondContact N-OD2 2.98Å
209W98.6Very high97.6Very high99 Ų9956.5 Ų56.538%0.37532%0.32SS..EExtended strand (participates in β ladder)trans-94.6136.4175.6-63103.5000111.2L170 S171 P172 Y218 T219 F220 I224L170-W209 HydrophobicContact CB-CH2 3.72Å; L170-W209 HydrophobicContact CB-CZ3 4.25Å; L170-W209 WeakPolarHBondContact O-CZ3 3.42Å; S171-W209 WeakPolarHBondContact O-CH2 3.13Å; P172-W209 HydrophobicContact CB-CD2 4Å; P172-W209 HydrophobicContact CB-CE3 4.44Å; P172-W209 HydrophobicContact CB-CG 4.37Å; P172-W209 HydrophobicContact CB-CZ2 4.1Å; P172-W209 HydrophobicContact CG-CD2 4.5Å; P172-W209 VanDerWaalsContact N-CH2 3.33Å; W209-Y218 HydrophobicContact CE3-CG 4.46Å; W209-T219 CarbonylContact C-O 3.6Å; W209-T219 WeakPolarHBondContact CA-O 3.35Å; W209-F220 HydrophobicContact CE3-CB 3.79Å; W209-F220 HydrophobicContact CH2-CB 4.25Å; W209-F220 HydrophobicContact CZ3-CB 3.58Å; W209-F220 HydrophobicContact CZ3-CG 4.43Å; W209-I224 HydrophobicContact CD2-CD1 4.49Å; W209-I224 HydrophobicContact CD2-CG1 4.36Å; W209-I224 HydrophobicContact CD2-CG2 4.43Å; W209-I224 HydrophobicContact CG-CD1 4.47Å; W209-I224 HydrophobicContact CH2-CG2 3.54Å; W209-I224 HydrophobicContact CZ2-CD1 4.47Å; W209-I224 HydrophobicContact CZ2-CG1 4.49Å; W209-I224 HydrophobicContact CZ2-CG2 3.29Å; W209-I224 HydrophobicContact CZ3-CG2 4.21Å
210G98.2Very high97.6Very high19 Ų1956.5 Ų56.520%0.19632%0.32CS..EExtended strand (participates in β ladder)trans-124.9161.8173.100000112.6Y218 T219G210-Y218 CarbonylContact O-C 3.57Å; G210-Y218 WeakPolarHBondContact O-CA 3.27Å; G210-Y218 WeakPolarHBondContact O-CB 3.21Å; G210-Y218 WeakPolarHBondContact O-CD1 3.39Å; G210-T219 VanDerWaalsContact CA-OG1 3.28Å; G210-T219 WeakPolarHBondContact CA-OG1 3.22Å; G210-T219 PolarHBondContact N-O 2.95Å; G210-T219 PolarHBondContact O-N 3.47Å
211I97Very high97.6Very high150 Ų15054.6 Ų54.677%0.76931%0.313SS*.EExtended strand (participates in β ladder)trans-75.3128.4173.6-62174.5000108.6
212S97.3Very high97.6Very high6 Ų658.3 Ų58.34%0.04233%0.331CS..  trans-66.3131.7177.9176.60000111.7R214 G215 A216 G217S212-R214 PolarHBondContact O-N 3.22Å; S212-R214 WeakPolarHBondContact OG-CB 3.43Å; S212-R214 WeakPolarHBondContact OG-CG 3.5Å; S212-R214 PolarHBondContact OG-N 2.83Å; S212-R214 VanDerWaalsContact OG-N 3.17Å; S212-G215 PolarHBondContact O-N 2.78Å; S212-A216 WeakPolarHBondContact CB-O 3.49Å; S212-A216 PolarHBondContact OG-O 3.05Å; S212-G217 WeakPolarHBondContact CB-O 3.16Å
213P95.5Very high97.6Very high118 Ų11861.4 Ų61.477%0.76635%0.347SS*.THydrogen-bonded Turntrans-69.2-8.5173.231-35.4000112.9G215P213-G215 VanDerWaalsContact C-N 3.27Å; P213-G215 PolarHBondContact O-N 3.18Å
214R94.4Very high97.6Very high98 Ų9861.8 Ų61.837%0.3735%0.348SS..THydrogen-bonded Turntrans-75.7-14.7178-57.5-175.5-179.9-101.89.8113.5W200 D202 S212 A216 H241W200-R214 HydrophobicContact CE3-CB 4.19Å; W200-R214 HydrophobicContact CZ3-CB 4.38Å; D202-R214 IonicContact OD1-NE 3.54Å; D202-R214 IonicContact OD1-NH2 3.74Å; D202-R214 IonicContact OD2-CZ 3.51Å; D202-R214 IonicContact OD2-NE 3.66Å; D202-R214 PolarHBondContact OD2-NE 3.09Å; D202-R214 IonicContact OD2-NH2 3.37Å; D202-R214 PolarHBondContact OD2-NH2 3.46Å; S212-R214 PolarHBondContact O-N 3.22Å; S212-R214 WeakPolarHBondContact OG-CB 3.43Å; S212-R214 WeakPolarHBondContact OG-CG 3.5Å; S212-R214 PolarHBondContact OG-N 2.83Å; S212-R214 VanDerWaalsContact OG-N 3.17Å; R214-A216 VanDerWaalsContact C-N 3.3Å; R214-H241 VanDerWaalsContact CD-NE2 3.29Å; R214-H241 WeakPolarHBondContact CD-NE2 3.29Å; R214-H241 PolarHBondContact NE-NE2 3.24Å; R214-H241 VanDerWaalsContact NE-NE2 3.13Å; R214-H241 PolarHBondContact NH1-NE2 3.29Å
215G95.3Very high97.6Very high76 Ų7660.4 Ų60.478%0.78434%0.34SS*.SBendtrans82.74.4-173.200000114.5S212 P213S212-G215 PolarHBondContact O-N 2.78Å; P213-G215 VanDerWaalsContact C-N 3.27Å; P213-G215 PolarHBondContact O-N 3.18Å
216A97Very high97.8Very high18 Ų1856.4 Ų56.415%0.14932%0.317CS..SBendtrans-150.2150.7174.100000109.6W200 S212 R214W200-A216 HydrophobicContact CB-CB 4.14Å; W200-A216 HydrophobicContact CD2-CB 3.87Å; W200-A216 HydrophobicContact CE3-CB 4.22Å; W200-A216 HydrophobicContact CG-CB 3.84Å; S212-A216 WeakPolarHBondContact CB-O 3.49Å; S212-A216 PolarHBondContact OG-O 3.05Å; R214-A216 VanDerWaalsContact C-N 3.3Å
217G98Very high97.9Very high14 Ų1453.6 Ų53.614%0.14432%0.317CS..SBendtrans71.3-170.3-174.700000114.2D197 S212D197-G217 WeakPolarHBondContact OD1-CA 3.47Å; S212-G217 WeakPolarHBondContact CB-O 3.16Å
218Y98.6Very high97.9Very high90 Ų9051.2 Ų51.235%0.35329%0.289SS..EExtended strand (participates in β ladder)trans-124.6163.5179.1-67.3-94.2000111P172 S201 D202 W209 G210P172-Y218 VanDerWaalsContact CD-CD2 3.48Å; P172-Y218 HydrophobicContact CG-CD1 4.33Å; P172-Y218 HydrophobicContact CG-CD2 3.71Å; P172-Y218 HydrophobicContact CG-CE1 4.2Å; P172-Y218 HydrophobicContact CG-CE2 3.57Å; P172-Y218 HydrophobicContact CG-CG 4.1Å; S201-Y218 CarbonylContact C-O 3.6Å; S201-Y218 WeakPolarHBondContact CA-O 3.48Å; S201-Y218 WeakPolarHBondContact CB-O 3.48Å; S201-Y218 PolarHBondContact OG-N 3.41Å; D202-Y218 PolarHBondContact N-O 2.7Å; W209-Y218 HydrophobicContact CE3-CG 4.46Å; G210-Y218 CarbonylContact O-C 3.57Å; G210-Y218 WeakPolarHBondContact O-CA 3.27Å; G210-Y218 WeakPolarHBondContact O-CB 3.21Å; G210-Y218 WeakPolarHBondContact O-CD1 3.39Å
219T98.8Very high98Very high8 Ų850.5 Ų50.55%0.04928%0.281CS..EExtended strand (participates in β ladder)trans-92.4147155.967.60000110.3D202 D204 W209 G210D202-T219 CarbonylContact O-C 3.55Å; D202-T219 WeakPolarHBondContact O-CA 3.45Å; D204-T219 HydrophobicContact CB-CG2 4.23Å; D204-T219 VanDerWaalsContact OD2-CB 3.29Å; D204-T219 WeakPolarHBondContact OD2-CB 3.31Å; D204-T219 PolarHBondContact OD2-OG1 2.97Å; W209-T219 CarbonylContact C-O 3.6Å; W209-T219 WeakPolarHBondContact CA-O 3.35Å; G210-T219 VanDerWaalsContact CA-OG1 3.28Å; G210-T219 WeakPolarHBondContact CA-OG1 3.22Å; G210-T219 PolarHBondContact N-O 2.95Å; G210-T219 PolarHBondContact O-N 3.47Å
220F98.9Very high98Very high0 Ų053.8 Ų53.80%030%0.3CS..EExtended strand (participates in β ladder)trans-132.9134.7179.262.2-85.8000111.3L170 D202 P203 D204 W209 I224 S225 H252 V256L170-F220 HydrophobicContact CB-CD1 4.36Å; L170-F220 HydrophobicContact CB-CD2 4.39Å; L170-F220 HydrophobicContact CB-CG 4.25Å; L170-F220 HydrophobicContact CD1-CD2 3.97Å; L170-F220 HydrophobicContact CD1-CE2 4.1Å; L170-F220 HydrophobicContact CG-CD2 4.2Å; L170-F220 HydrophobicContact CG-CE2 4.09Å; L170-F220 HydrophobicContact CG-CZ 4.37Å; D202-F220 VanDerWaalsContact C-CD1 3.48Å; D202-F220 WeakPolarHBondContact O-CD1 3.45Å; D202-F220 WeakPolarHBondContact O-CE1 3.17Å; D202-F220 PolarHBondContact O-N 3.43Å; P203-F220 WeakPolarHBondContact CA-O 3.2Å; P203-F220 HydrophobicContact CB-CE1 4.44Å; P203-F220 HydrophobicContact CB-CE2 4.06Å; P203-F220 HydrophobicContact CB-CZ 3.9Å; P203-F220 HydrophobicContact CG-CZ 4.43Å; P203-F220 VanDerWaalsContact N-CE1 3.29Å; D204-F220 PolarHBondContact N-O 3.43Å; W209-F220 HydrophobicContact CE3-CB 3.79Å; W209-F220 HydrophobicContact CH2-CB 4.25Å; W209-F220 HydrophobicContact CZ3-CB 3.58Å; W209-F220 HydrophobicContact CZ3-CG 4.43Å; F220-I224 HydrophobicContact CB-CB 4.17Å; F220-I224 HydrophobicContact CB-CG1 4.49Å; F220-I224 HydrophobicContact CB-CG2 3.99Å; F220-S225 WeakPolarHBondContact CD2-OG 3.48Å; F220-S225 WeakPolarHBondContact CE2-OG 3.33Å; F220-H252 AromaticContact CD2-CE1 3.89Å; F220-H252 AromaticContact CE2-CE1 3.9Å; F220-H252 PolarHBondContact O-CE1 2.89Å; F220-V256 HydrophobicContact CE2-CG2 4.18Å
221G98.8Very high98Very high0 Ų056.1 Ų56.10%032%0.317CS..  trans-82.6177.7179.500000114.8R206 G208 D223 I224 S225R206-G221 WeakPolarHBondContact O-CA 3.28Å; G208-G221 PolarHBondContact O-N 3.33Å; G221-D223 VanDerWaalsContact C-N 3.32Å; G221-D223 PolarHBondContact O-N 3.34Å; G221-I224 PolarHBondContact O-N 2.92Å; G221-S225 PolarHBondContact O-N 3.12Å; G221-S225 PolarHBondContact O-OG 3.5Å
222Q98.8Very high98.1Very high78 Ų7850.5 Ų50.536%0.36429%0.289SS..Hα-helixtrans-57.8-41.9175.9174.6171.6-26.500112.9I224 S225 E226 H252Q222-I224 VanDerWaalsContact C-N 3.28Å; Q222-I224 PolarHBondContact O-N 2.93Å; Q222-S225 WeakPolarHBondContact O-CB 3.47Å; Q222-S225 PolarHBondContact O-N 2.96Å; Q222-S225 VanDerWaalsContact O-N 3.09Å; Q222-E226 HydrophobicContact CG-CG 4.29Å; Q222-E226 VanDerWaalsContact CG-OE1 3.32Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.45Å; Q222-E226 PolarHBondContact NE2-OE1 3.48Å; Q222-E226 WeakPolarHBondContact O-CG 3.32Å; Q222-E226 PolarHBondContact O-N 2.75Å; Q222-H252 HydrophobicContact CB-CB 3.86Å; Q222-H252 HydrophobicContact CG-CB 3.94Å
223D98.8Very high98.1Very high69 Ų6952.8 Ų52.837%0.36931%0.313SS..Hα-helixtrans-59.7-37.117957.4-57.8000112.7G207 G208 G221 T227G207-D223 VanDerWaalsContact CA-OD1 3.32Å; G207-D223 WeakPolarHBondContact CA-OD1 3.49Å; G208-D223 WeakPolarHBondContact CA-OD2 3.28Å; G208-D223 PolarHBondContact N-OD1 2.94Å; G208-D223 PolarHBondContact N-OD2 2.98Å; G221-D223 VanDerWaalsContact C-N 3.32Å; G221-D223 PolarHBondContact O-N 3.34Å; D223-T227 WeakPolarHBondContact O-CB 3.39Å; D223-T227 PolarHBondContact O-N 2.94Å; D223-T227 VanDerWaalsContact O-N 3.09Å; D223-T227 PolarHBondContact O-OG1 3.48Å
224I98.9Very high98.3Very high26 Ų2647.8 Ų47.813%0.13328%0.28CS..Hα-helixtrans-68.7-41.6175.8-57.9-54000110.7L170 W209 F220 G221 Q222 T227 F228L170-I224 HydrophobicContact CD1-CG2 4.02Å; W209-I224 HydrophobicContact CD2-CD1 4.49Å; W209-I224 HydrophobicContact CD2-CG1 4.36Å; W209-I224 HydrophobicContact CD2-CG2 4.43Å; W209-I224 HydrophobicContact CG-CD1 4.47Å; W209-I224 HydrophobicContact CH2-CG2 3.54Å; W209-I224 HydrophobicContact CZ2-CD1 4.47Å; W209-I224 HydrophobicContact CZ2-CG1 4.49Å; W209-I224 HydrophobicContact CZ2-CG2 3.29Å; W209-I224 HydrophobicContact CZ3-CG2 4.21Å; F220-I224 HydrophobicContact CB-CB 4.17Å; F220-I224 HydrophobicContact CB-CG1 4.49Å; F220-I224 HydrophobicContact CB-CG2 3.99Å; G221-I224 PolarHBondContact O-N 2.92Å; Q222-I224 VanDerWaalsContact C-N 3.28Å; Q222-I224 PolarHBondContact O-N 2.93Å; I224-T227 PolarHBondContact O-N 3.41Å; I224-F228 WeakPolarHBondContact O-CB 3.38Å; I224-F228 PolarHBondContact O-N 2.8Å
225S98.9Very high98.5Very high0 Ų046.8 Ų46.80%029%0.285CS..Hα-helixtrans-65.9-46.4-179.6-56.30000111.9F220 G221 Q222 T227 F228 N229 H252 V256F220-S225 WeakPolarHBondContact CD2-OG 3.48Å; F220-S225 WeakPolarHBondContact CE2-OG 3.33Å; G221-S225 PolarHBondContact O-N 3.12Å; G221-S225 PolarHBondContact O-OG 3.5Å; Q222-S225 WeakPolarHBondContact O-CB 3.47Å; Q222-S225 PolarHBondContact O-N 2.96Å; Q222-S225 VanDerWaalsContact O-N 3.09Å; S225-T227 VanDerWaalsContact C-N 3.34Å; S225-T227 PolarHBondContact O-N 3.06Å; S225-F228 PolarHBondContact O-N 3.17Å; S225-N229 WeakPolarHBondContact O-CB 3.45Å; S225-N229 PolarHBondContact O-N 2.76Å; S225-H252 PolarHBondContact OG-ND1 3.13Å; S225-V256 WeakPolarHBondContact OG-CG2 3.28Å
226E98.8Very high98.6Very high80 Ų8043.4 Ų43.437%0.37425%0.249SC..Hα-helixtrans-59.8-45.1175.6-72.8173.3-17600111.4Q222 N229 H230 N255Q222-E226 HydrophobicContact CG-CG 4.29Å; Q222-E226 VanDerWaalsContact CG-OE1 3.32Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.45Å; Q222-E226 PolarHBondContact NE2-OE1 3.48Å; Q222-E226 WeakPolarHBondContact O-CG 3.32Å; Q222-E226 PolarHBondContact O-N 2.75Å; E226-N229 PolarHBondContact O-N 2.93Å; E226-H230 VanDerWaalsContact O-CB 3.27Å; E226-H230 WeakPolarHBondContact O-CB 3.12Å; E226-H230 PolarHBondContact O-N 3.33Å; E226-N255 WeakPolarHBondContact CG-ND2 3.43Å
227T98.8Very high98.7Very high96 Ų9642.5 Ų42.559%0.58924%0.242SC*.Hα-helixtrans-61.4-48.3179-60.80000111.3D223 I224 S225 A231D223-T227 WeakPolarHBondContact O-CB 3.39Å; D223-T227 PolarHBondContact O-N 2.94Å; D223-T227 VanDerWaalsContact O-N 3.09Å; D223-T227 PolarHBondContact O-OG1 3.48Å; I224-T227 PolarHBondContact O-N 3.41Å; S225-T227 VanDerWaalsContact C-N 3.34Å; S225-T227 PolarHBondContact O-N 3.06Å; T227-A231 VanDerWaalsContact O-CB 3.24Å; T227-A231 WeakPolarHBondContact O-CB 3.47Å; T227-A231 PolarHBondContact O-N 3.3Å
228F98.9Very high98.8Very high12 Ų1241.9 Ų41.95%0.05324%0.235CC..Hα-helixtrans-64.6-44.8-179.8-174.2-93.2000112F164 L170 I174 L177 I224 S225 A231 N232 L234F164-F228 AromaticContact CD1-CE1 3.82Å; F164-F228 HydrophobicContact CD1-CE1 3.82Å; F164-F228 HydrophobicContact CD1-CZ 4.47Å; F164-F228 AromaticContact CE1-CE1 3.9Å; F164-F228 HydrophobicContact CE1-CE1 3.9Å; F164-F228 HydrophobicContact CE1-CZ 4.13Å; F164-F228 HydrophobicContact CG-CE1 4.5Å; L170-F228 HydrophobicContact CD1-CB 3.76Å; L170-F228 HydrophobicContact CD1-CD1 4.36Å; L170-F228 HydrophobicContact CD1-CG 4.04Å; L170-F228 HydrophobicContact CD2-CB 4.45Å; L170-F228 HydrophobicContact CD2-CD1 3.62Å; L170-F228 HydrophobicContact CD2-CD2 4.18Å; L170-F228 HydrophobicContact CD2-CE1 3.8Å; L170-F228 HydrophobicContact CD2-CE2 4.34Å; L170-F228 HydrophobicContact CD2-CG 3.82Å; L170-F228 HydrophobicContact CD2-CZ 4.16Å; I174-F228 HydrophobicContact CG2-CE2 4.34Å; L177-F228 HydrophobicContact CD2-CZ 4.21Å; I224-F228 WeakPolarHBondContact O-CB 3.38Å; I224-F228 PolarHBondContact O-N 2.8Å; S225-F228 PolarHBondContact O-N 3.17Å; F228-A231 PolarHBondContact O-N 3.14Å; F228-N232 WeakPolarHBondContact O-CB 3.28Å; F228-N232 PolarHBondContact O-N 2.94Å; F228-N232 VanDerWaalsContact O-N 3.12Å; F228-N232 PolarHBondContact O-ND2 2.96Å; F228-L234 HydrophobicContact CD1-CD1 3.84Å; F228-L234 HydrophobicContact CE1-CD1 3.54Å
229N98.9Very high98.8Very high3 Ų337.6 Ų37.62%0.01622%0.218CC..Hα-helixtrans-60.9-49.5178-79.6-10.7000111.4S225 E226 A231 N232 G233 L234 V237 N255S225-N229 WeakPolarHBondContact O-CB 3.45Å; S225-N229 PolarHBondContact O-N 2.76Å; E226-N229 PolarHBondContact O-N 2.93Å; N229-A231 PolarHBondContact O-N 2.8Å; N229-N232 PolarHBondContact O-N 3.2Å; N229-G233 PolarHBondContact O-N 2.78Å; N229-L234 HydrophobicContact CB-CB 4.24Å; N229-L234 PolarHBondContact O-N 3.15Å; N229-V237 VanDerWaalsContact OD1-CG2 3.22Å; N229-V237 WeakPolarHBondContact OD1-CG2 3.43Å; N229-N255 WeakPolarHBondContact ND2-CB 3.31Å; N229-N255 PolarHBondContact ND2-O 3.09Å; N229-N255 PolarHBondContact ND2-OD1 2.91Å
230H98.8Very high98.8Very high169 Ų16937.2 Ų37.278%0.78222%0.216SC*.Hα-helixtrans-61.7-44.9178.9178.6-88.6000112.1E226 N232 G233E226-H230 VanDerWaalsContact O-CB 3.27Å; E226-H230 WeakPolarHBondContact O-CB 3.12Å; E226-H230 PolarHBondContact O-N 3.33Å; H230-N232 VanDerWaalsContact C-N 3.26Å; H230-N232 PolarHBondContact O-N 2.93Å; H230-G233 PolarHBondContact O-N 3.43Å
231A98.6Very high98.8Very high67 Ų6737.8 Ų37.855%0.55422%0.218SC*.Hα-helixtrans-63.3-31.9-178.800000113.2T227 F228 N229T227-A231 VanDerWaalsContact O-CB 3.24Å; T227-A231 WeakPolarHBondContact O-CB 3.47Å; T227-A231 PolarHBondContact O-N 3.3Å; F228-A231 PolarHBondContact O-N 3.14Å; N229-A231 PolarHBondContact O-N 2.8Å
232N98.8Very high98.7Very high32 Ų3240.1 Ų40.117%0.17123%0.229CC..Hα-helixtrans-104.83.8-176.2-66.8-80.8000113.8D175 T176 L177 F228 N229 H230 L234D175-N232 PolarHBondContact O-ND2 2.75Å; T176-N232 WeakPolarHBondContact CA-OD1 3.34Å; L177-N232 HydrophobicContact CD1-CB 4.42Å; L177-N232 HydrophobicContact CG-CB 4.17Å; L177-N232 PolarHBondContact N-OD1 2.83Å; F228-N232 WeakPolarHBondContact O-CB 3.28Å; F228-N232 PolarHBondContact O-N 2.94Å; F228-N232 VanDerWaalsContact O-N 3.12Å; F228-N232 PolarHBondContact O-ND2 2.96Å; N229-N232 PolarHBondContact O-N 3.2Å; H230-N232 VanDerWaalsContact C-N 3.26Å; H230-N232 PolarHBondContact O-N 2.93Å; N232-L234 VanDerWaalsContact C-N 3.3Å; N232-L234 HydrophobicContact CB-CD1 3.92Å; N232-L234 HydrophobicContact CB-CG 3.83Å; N232-L234 PolarHBondContact O-N 3.39Å
233G98.6Very high98.7Very high54 Ų5439.4 Ų39.456%0.55723%0.228SC*.THydrogen-bonded Turntrans67.228.7-179.300000113.9N229 H230N229-G233 PolarHBondContact O-N 2.78Å; H230-G233 PolarHBondContact O-N 3.43Å
234L98.8Very high98.6Very high14 Ų1437 Ų377%0.07322%0.215CC..  trans-90.3145.7-177.7-53.2171.1000110.9L158 Q162 F164 L177 F228 N229 N232L158-L234 HydrophobicContact CD1-CD2 3.55Å; Q162-L234 CarbonylContact O-C 3.59Å; Q162-L234 WeakPolarHBondContact O-CA 3.36Å; F164-L234 HydrophobicContact CB-CD1 3.58Å; F164-L234 HydrophobicContact CB-CD2 3.99Å; F164-L234 HydrophobicContact CB-CG 4.35Å; F164-L234 HydrophobicContact CD1-CD1 4.39Å; F164-L234 HydrophobicContact CG-CD1 4.11Å; L177-L234 HydrophobicContact CD1-CD2 4.41Å; F228-L234 HydrophobicContact CD1-CD1 3.84Å; F228-L234 HydrophobicContact CE1-CD1 3.54Å; N229-L234 HydrophobicContact CB-CB 4.24Å; N229-L234 PolarHBondContact O-N 3.15Å; N232-L234 VanDerWaalsContact C-N 3.3Å; N232-L234 HydrophobicContact CB-CD1 3.92Å; N232-L234 HydrophobicContact CB-CG 3.83Å; N232-L234 PolarHBondContact O-N 3.39Å
235T98.4Very high98.6Very high77 Ų7740.5 Ų40.547%0.47223%0.232SC..SBendtrans-92.5-23.8172.258.40000112.4Q162Q162-T235 HydrophobicContact CB-CG2 4.18Å; Q162-T235 HydrophobicContact CG-CG2 4.33Å; Q162-T235 PolarHBondContact O-N 3.07Å; Q162-T235 PolarHBondContact O-OG1 3.37Å
236L98.8Very high98.6Very high4 Ų445.9 Ų45.92%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-160.7138.6-171.4176.658.5000111.6I163 F164 W250 V257 M276I163-L236 WeakPolarHBondContact CA-O 3.43Å; I163-L236 HydrophobicContact CD1-CD2 4.39Å; I163-L236 HydrophobicContact CG1-CB 4.24Å; I163-L236 HydrophobicContact CG2-CB 4.19Å; I163-L236 HydrophobicContact CG2-CD2 4.07Å; I163-L236 HydrophobicContact CG2-CG 4.16Å; F164-L236 PolarHBondContact N-O 3.38Å; L236-W250 HydrophobicContact CD1-CH2 3.9Å; L236-W250 HydrophobicContact CD1-CZ3 3.43Å; L236-W250 VanDerWaalsContact CD1-CZ3 3.43Å; L236-W250 HydrophobicContact CD2-CH2 3.89Å; L236-W250 HydrophobicContact CD2-CZ3 4.31Å; L236-V257 HydrophobicContact CD1-CB 4.36Å; L236-V257 HydrophobicContact CD1-CG1 4.04Å; L236-V257 HydrophobicContact CD2-CG1 4.01Å; L236-V257 HydrophobicContact CG-CG1 4.33Å; L236-M276 HydrophobicContact CD2-SD 4.4Å
237V98.9Very high98.5Very high0 Ų042 Ų420%024%0.24CC..EExtended strand (participates in β ladder)trans-95.4118.2157.1-176.70000109.1F164 L166 N229 N255 V256 V257F164-V237 HydrophobicContact CD1-CG1 4.22Å; F164-V237 HydrophobicContact CD1-CG2 4.33Å; F164-V237 CarbonylContact O-C 3.54Å; F164-V237 WeakPolarHBondContact O-CA 3.29Å; L166-V237 HydrophobicContact CD2-CG1 3.48Å; L166-V237 VanDerWaalsContact CD2-CG1 3.48Å; N229-V237 VanDerWaalsContact OD1-CG2 3.22Å; N229-V237 WeakPolarHBondContact OD1-CG2 3.43Å; V237-N255 PolarHBondContact N-O 3.17Å; V237-V256 HydrophobicContact CB-CG1 4.43Å; V237-V256 HydrophobicContact CB-CG2 4.2Å; V237-V256 CarbonylContact O-C 3.04Å; V237-V256 VanDerWaalsContact O-CA 3.29Å; V237-V256 WeakPolarHBondContact O-CA 3.31Å; V237-V257 PolarHBondContact O-N 2.79Å
238S98.9Very high98.5Very high0 Ų040.6 Ų40.60%022%0.224CC..EExtended strand (participates in β ladder)trans-103.2126172.51760000109.5F164 C165 L166 I259F164-S238 PolarHBondContact O-N 2.94Å; C165-S238 VanDerWaalsContact CA-O 3.24Å; C165-S238 WeakPolarHBondContact CA-O 3.46Å; L166-S238 PolarHBondContact N-O 3.24Å; L166-S238 VanDerWaalsContact N-O 3.15Å; S238-I259 WeakPolarHBondContact OG-CD1 3.44Å
239R98.9Very high98.5Very high0 Ų043.9 Ų43.90%024%0.242CC..EExtended strand (participates in β ladder)trans-144.3171.2-174.370.472.143.914011.8114.2L166 H167 G168 S201 D202 V256 V257 T258 I259L166-R239 HydrophobicContact CD2-CB 3.92Å; L166-R239 WeakPolarHBondContact O-CA 3.24Å; L166-R239 WeakPolarHBondContact O-CB 3.38Å; H167-R239 PolarHBondContact O-NE 3.16Å; H167-R239 PolarHBondContact O-NH2 3.48Å; G168-R239 WeakPolarHBondContact O-CB 3.45Å; G168-R239 PolarHBondContact O-NE 2.99Å; G168-R239 PolarHBondContact O-NH2 3.45Å; S201-R239 PolarHBondContact O-NH2 3.35Å; D202-R239 IonicContact OD1-CZ 2.69Å; D202-R239 IonicContact OD1-NH1 3.7Å; D202-R239 PolarHBondContact OD1-NH1 3.07Å; D202-R239 IonicContact OD1-NH2 3.55Å; R239-V256 HydrophobicContact CG-CG1 3.96Å; R239-V257 PolarHBondContact N-O 3.27Å; R239-T258 VanDerWaalsContact CD-OG1 3.28Å; R239-T258 WeakPolarHBondContact CD-OG1 3.47Å; R239-T258 CarbonylContact O-C 3.57Å; R239-T258 VanDerWaalsContact O-CA 3.29Å; R239-T258 WeakPolarHBondContact O-CA 3.24Å; R239-I259 PolarHBondContact O-N 3.27Å
240A98.7Very high98.5Very high0 Ų046.4 Ų46.40%025%0.251CS..  trans-123.6-128.1-173.700000114.6D57 M83 H167 Q242 I259D57-A240 WeakPolarHBondContact OD1-CB 3.46Å; M83-A240 HydrophobicContact CB-CB 3.99Å; M83-A240 HydrophobicContact CE-CB 3.92Å; H167-A240 CarbonylContact O-C 3.46Å; H167-A240 PolarHBondContact O-N 3.06Å; A240-Q242 PolarHBondContact O-N 2.9Å; A240-I259 WeakPolarHBondContact CA-O 3.44Å; A240-I259 WeakPolarHBondContact CB-O 3.42Å
241H98.6Very high98.5Very high12 Ų1239.3 Ų39.36%0.05622%0.221CC..SBendtrans62.4-35.4165-170.256.8000119.4D57 N117 H167 W200 D202 R214D57-H241 PolarHBondContact OD1-N 3.01Å; D57-H241 VanDerWaalsContact OD2-CA 3.3Å; D57-H241 WeakPolarHBondContact OD2-CA 3.12Å; D57-H241 PolarHBondContact OD2-N 3.33Å; N117-H241 VanDerWaalsContact CG-CE1 3.48Å; N117-H241 PolarHBondContact OD1-CE1 2.72Å; N117-H241 PolarHBondContact OD1-ND1 2.86Å; H167-H241 AromaticContact CD2-ND1 3.87Å; H167-H241 AromaticContact NE2-CG 3.84Å; H167-H241 AromaticContact NE2-ND1 3.38Å; H167-H241 PolarHBondContact NE2-ND1 3.42Å; W200-H241 AromaticContact CE3-CE1 3.98Å; D202-H241 IonicContact OD1-CD2 2.75Å; D202-H241 PolarHBondContact OD1-CD2 2.95Å; R214-H241 VanDerWaalsContact CD-NE2 3.29Å; R214-H241 WeakPolarHBondContact CD-NE2 3.29Å; R214-H241 PolarHBondContact NE-NE2 3.24Å; R214-H241 VanDerWaalsContact NE-NE2 3.13Å; R214-H241 PolarHBondContact NH1-NE2 3.29Å
242Q97.8Very high98.5Very high49 Ų4936.7 Ų36.723%0.22920%0.197CC..SBendtrans-96.6121.9178.2-86.8176.8-34.700109.1D202 A240 V244 T258D202-Q242 VanDerWaalsContact CB-NE2 3.35Å; D202-Q242 WeakPolarHBondContact OD1-CG 3.37Å; D202-Q242 PolarHBondContact OD1-NE2 2.77Å; D202-Q242 PolarHBondContact OD1-OE1 3.04Å; D202-Q242 PolarHBondContact OD2-NE2 3.47Å; A240-Q242 PolarHBondContact O-N 2.9Å; Q242-V244 PolarHBondContact O-N 3.25Å; Q242-T258 HydrophobicContact CB-CG2 4.15Å; Q242-T258 WeakPolarHBondContact O-CG2 3.39Å
243L97.9Very high98.5Very high63 Ų6341.3 Ų41.333%0.3322%0.221SC..  trans-59.2123.1168.3-177.7148.9000109.4M245 F260 Y265 C269 N271L243-M245 HydrophobicContact CD2-SD 3.77Å; L243-F260 HydrophobicContact CB-CE2 4.3Å; L243-F260 HydrophobicContact CB-CZ 4.32Å; L243-F260 HydrophobicContact CD1-CE1 4.41Å; L243-F260 HydrophobicContact CG-CE1 4.46Å; L243-Y265 HydrophobicContact CD1-CD1 3.61Å; L243-Y265 HydrophobicContact CD1-CG 3.98Å; L243-C269 HydrophobicContact CD1-CB 3.55Å; L243-N271 HydrophobicContact CD1-CB 4.44Å; L243-N271 HydrophobicContact CD2-CB 4.18Å; L243-N271 HydrophobicContact CG-CB 4.31Å
244V97.7Very high98.5Very high19 Ų1946.1 Ų46.112%0.11522%0.223CC..  trans-120.2130.7172.7-70.80000108.3Q242 E246 G247 N249 T258 F260Q242-V244 PolarHBondContact O-N 3.25Å; V244-E246 PolarHBondContact O-N 2.67Å; V244-G247 PolarHBondContact O-N 3.13Å; V244-N249 HydrophobicContact CB-CB 4.07Å; V244-N249 HydrophobicContact CG1-CB 3.69Å; V244-T258 HydrophobicContact CG1-CG2 3.8Å; V244-T258 HydrophobicContact CG2-CG2 4.22Å; V244-F260 HydrophobicContact CG2-CB 3.86Å
245M98.1Very high98.5Very high99 Ų9946.9 Ų46.949%0.48823%0.227SC..THydrogen-bonded Turntrans-62-31.6-168.1-71.7-55.9-58.200113.7L243 G247 N271 Q272L243-M245 HydrophobicContact CD2-SD 3.77Å; M245-G247 VanDerWaalsContact C-N 3.33Å; M245-N271 HydrophobicContact CE-CB 4.2Å; M245-N271 CarbonylContact O-C 3.6Å; M245-N271 WeakPolarHBondContact O-CA 3.23Å; M245-N271 HydrophobicContact SD-CB 4.09Å; M245-Q272 PolarHBondContact O-N 3.36Å
246E98Very high98.5Very high113 Ų11343.2 Ų43.253%0.52821%0.205SC..THydrogen-bonded Turntrans-91.56.7-179.3-56.9-58.7128.200112.6V244 Y248 Q288V244-E246 PolarHBondContact O-N 2.67Å; E246-Y248 PolarHBondContact O-N 3.44Å; E246-Y248 VanDerWaalsContact O-N 3.11Å; E246-Q288 PolarHBondContact O-NE2 2.83Å
247G98.5Very high98.5Very high0 Ų043 Ų430%020%0.204CC..SBendtrans78.4-21.8-176.900000114.7V244 M245 F260 Q272 A274V244-G247 PolarHBondContact O-N 3.13Å; M245-G247 VanDerWaalsContact C-N 3.33Å; G247-F260 PolarHBondContact O-N 3.37Å; G247-Q272 WeakPolarHBondContact CA-O 3.12Å; G247-Q272 PolarHBondContact N-O 2.83Å; G247-A274 WeakPolarHBondContact O-CB 3.15Å
248Y98.8Very high98.5Very high65 Ų6543.1 Ų43.126%0.25520%0.204SC..EExtended strand (participates in β ladder)trans-142.9157.5164.676-74.8000111.2E246 W250 V257 T258 A274 F286 Q288E246-Y248 PolarHBondContact O-N 3.44Å; E246-Y248 VanDerWaalsContact O-N 3.11Å; Y248-W250 AromaticContact CE2-CD1 3.83Å; Y248-W250 AromaticContact CE2-NE1 3.79Å; Y248-V257 HydrophobicContact CD2-CG2 4.43Å; Y248-T258 CarbonylContact C-O 3.57Å; Y248-T258 WeakPolarHBondContact CA-O 3.39Å; Y248-T258 WeakPolarHBondContact CB-O 3.5Å; Y248-A274 HydrophobicContact CD1-CB 3.95Å; Y248-A274 HydrophobicContact CG-CB 4.46Å; Y248-F286 HydrophobicContact CD1-CB 4.02Å; Y248-F286 HydrophobicContact CD1-CD1 4.06Å; Y248-F286 HydrophobicContact CD1-CG 4.12Å; Y248-F286 HydrophobicContact CD2-CB 4.49Å; Y248-F286 AromaticContact CD2-CD1 3.6Å; Y248-F286 HydrophobicContact CD2-CD1 3.6Å; Y248-F286 HydrophobicContact CD2-CD2 4.08Å; Y248-F286 AromaticContact CD2-CE1 3.75Å; Y248-F286 HydrophobicContact CD2-CE1 3.75Å; Y248-F286 HydrophobicContact CD2-CE2 4.24Å; Y248-F286 AromaticContact CD2-CG 3.78Å; Y248-F286 HydrophobicContact CD2-CG 3.78Å; Y248-F286 HydrophobicContact CD2-CZ 4.09Å; Y248-F286 HydrophobicContact CE1-CB 3.83Å; Y248-F286 HydrophobicContact CE1-CG 4.15Å; Y248-F286 HydrophobicContact CE2-CB 4.32Å; Y248-F286 HydrophobicContact CE2-CD1 4.13Å; Y248-F286 AromaticContact CE2-CD2 3.81Å; Y248-F286 HydrophobicContact CE2-CD2 3.81Å; Y248-F286 HydrophobicContact CE2-CE1 4.44Å; Y248-F286 HydrophobicContact CE2-CE2 4.17Å; Y248-F286 AromaticContact CE2-CG 3.8Å; Y248-F286 HydrophobicContact CE2-CG 3.8Å; Y248-F286 HydrophobicContact CE2-CZ 4.48Å; Y248-F286 HydrophobicContact CG-CB 4.35Å; Y248-F286 AromaticContact CG-CD1 3.56Å; Y248-F286 HydrophobicContact CG-CD1 3.56Å; Y248-F286 HydrophobicContact CG-CE1 4.02Å; Y248-F286 AromaticContact CG-CG 3.94Å; Y248-F286 HydrophobicContact CG-CG 3.94Å; Y248-F286 AromaticContact CZ-CG 3.99Å; Y248-Q288 HydrophobicContact CD1-CG 4.06Å; Y248-Q288 HydrophobicContact CE1-CG 3.91Å
249N98.7Very high98.5Very high81 Ų8143.1 Ų43.143%0.43320%0.204SC..EExtended strand (participates in β ladder)trans-147.8133.3174.6-175.162.1000111.4V244 V257 T258V244-N249 HydrophobicContact CB-CB 4.07Å; V244-N249 HydrophobicContact CG1-CB 3.69Å; N249-V257 WeakPolarHBondContact O-CA 3.25Å; N249-T258 PolarHBondContact N-O 3.08Å; N249-T258 PolarHBondContact O-N 3.4Å
250W98.7Very high98.5Very high57 Ų5743.2 Ų43.222%0.21621%0.205CC..EExtended strand (participates in β ladder)trans-87.3135.7170.7-74.1103.6000110.4L236 Y248 R254 V257 Y284 F286L236-W250 HydrophobicContact CD1-CH2 3.9Å; L236-W250 HydrophobicContact CD1-CZ3 3.43Å; L236-W250 VanDerWaalsContact CD1-CZ3 3.43Å; L236-W250 HydrophobicContact CD2-CH2 3.89Å; L236-W250 HydrophobicContact CD2-CZ3 4.31Å; Y248-W250 AromaticContact CE2-CD1 3.83Å; Y248-W250 AromaticContact CE2-NE1 3.79Å; W250-R254 HydrophobicContact CD2-CB 4.48Å; W250-R254 HydrophobicContact CD2-CG 4.28Å; W250-R254 HydrophobicContact CE3-CB 3.79Å; W250-R254 HydrophobicContact CE3-CG 4.06Å; W250-R254 HydrophobicContact CZ3-CB 3.94Å; W250-R254 WeakPolarHBondContact CZ3-O 3.08Å; W250-V257 HydrophobicContact CD2-CB 4.06Å; W250-V257 HydrophobicContact CD2-CG2 3.97Å; W250-V257 HydrophobicContact CE3-CB 3.67Å; W250-V257 HydrophobicContact CE3-CG2 4.12Å; W250-V257 HydrophobicContact CG-CG2 4.48Å; W250-V257 HydrophobicContact CH2-CB 4Å; W250-V257 HydrophobicContact CH2-CG1 4.33Å; W250-V257 HydrophobicContact CH2-CG2 4.46Å; W250-V257 HydrophobicContact CZ2-CB 4.32Å; W250-V257 HydrophobicContact CZ2-CG2 4.28Å; W250-V257 HydrophobicContact CZ3-CB 3.68Å; W250-V257 HydrophobicContact CZ3-CG1 4.32Å; W250-V257 HydrophobicContact CZ3-CG2 4.4Å; W250-Y284 HydrophobicContact CH2-CE1 4.39Å; W250-Y284 HydrophobicContact CH2-CE2 4.13Å; W250-Y284 HydrophobicContact CZ2-CD2 4.02Å; W250-Y284 AromaticContact CZ2-CE2 3.63Å; W250-Y284 HydrophobicContact CZ2-CE2 3.63Å; W250-Y284 AromaticContact CZ2-CZ 3.98Å; W250-F286 AromaticContact CE2-CE2 3.84Å; W250-F286 AromaticContact CE2-CZ 3.88Å; W250-F286 HydrophobicContact CH2-CZ 4.44Å; W250-F286 AromaticContact CZ2-CE2 3.57Å; W250-F286 HydrophobicContact CZ2-CE2 3.57Å; W250-F286 AromaticContact CZ2-CZ 3.54Å; W250-F286 HydrophobicContact CZ2-CZ 3.54Å; W250-F286 AromaticContact NE1-CE2 3.62Å; W250-F286 AromaticContact NE1-CZ 3.94Å
251C98.3Very high98.5Very high20 Ų2043.4 Ų43.414%0.13521%0.206CC..EExtended strand (participates in β ladder)trans-137.9174.617160.60000111.4D253 R254 V256C251-D253 PolarHBondContact O-N 3.49Å; C251-R254 PolarHBondContact O-N 2.84Å; C251-V256 PolarHBondContact N-O 3.21Å; C251-V256 PolarHBondContact O-N 2.92Å
252H98.8Very high98.5Very high12 Ų1242.8 Ų42.86%0.05620%0.203CC..G310 helixtrans53.349.2175.2-57.4175.2000113.3P203 D204 F220 Q222 S225 R254 N255 V256P203-H252 WeakPolarHBondContact CB-CE1 3.42Å; D204-H252 PolarHBondContact N-NE2 2.83Å; D204-H252 PolarHBondContact O-NE2 3.08Å; D204-H252 VanDerWaalsContact O-NE2 3.15Å; F220-H252 AromaticContact CD2-CE1 3.89Å; F220-H252 AromaticContact CE2-CE1 3.9Å; F220-H252 PolarHBondContact O-CE1 2.89Å; Q222-H252 HydrophobicContact CB-CB 3.86Å; Q222-H252 HydrophobicContact CG-CB 3.94Å; S225-H252 PolarHBondContact OG-ND1 3.13Å; H252-R254 PolarHBondContact O-N 2.96Å; H252-N255 HydrophobicContact CB-CB 4.28Å; H252-N255 VanDerWaalsContact O-CB 3.25Å; H252-N255 WeakPolarHBondContact O-CB 3.24Å; H252-N255 PolarHBondContact O-N 3.2Å; H252-N255 PolarHBondContact O-ND2 3.05Å; H252-V256 HydrophobicContact CB-CG2 4.25Å
253D98.2Very high98.5Very high128 Ų12840.5 Ų40.568%0.68419%0.192SC*.G310 helixtrans5043.4-176.2-161.230.2000113.8C251 N255C251-D253 PolarHBondContact O-N 3.49Å; D253-N255 PolarHBondContact O-N 2.78Å
254R98.3Very high98.5Very high155 Ų15539.2 Ų39.259%0.58519%0.186SC*.G310 helixtrans6614.3-178-53.1-176.8174.9-163.6-2.4115.7W250 C251 H252 V256W250-R254 HydrophobicContact CD2-CB 4.48Å; W250-R254 HydrophobicContact CD2-CG 4.28Å; W250-R254 HydrophobicContact CE3-CB 3.79Å; W250-R254 HydrophobicContact CE3-CG 4.06Å; W250-R254 HydrophobicContact CZ3-CB 3.94Å; W250-R254 WeakPolarHBondContact CZ3-O 3.08Å; C251-R254 PolarHBondContact O-N 2.84Å; H252-R254 PolarHBondContact O-N 2.96Å; R254-V256 PolarHBondContact O-N 3.14Å
255N98.8Very high98.5Very high31 Ų3139.7 Ų39.717%0.16619%0.186CC..THydrogen-bonded Turntrans-70.2-23.1168.2-76.8-83.7000112.5E226 N229 V237 H252 D253E226-N255 WeakPolarHBondContact CG-ND2 3.43Å; N229-N255 WeakPolarHBondContact ND2-CB 3.31Å; N229-N255 PolarHBondContact ND2-O 3.09Å; N229-N255 PolarHBondContact ND2-OD1 2.91Å; V237-N255 PolarHBondContact N-O 3.17Å; H252-N255 HydrophobicContact CB-CB 4.28Å; H252-N255 VanDerWaalsContact O-CB 3.25Å; H252-N255 WeakPolarHBondContact O-CB 3.24Å; H252-N255 PolarHBondContact O-N 3.2Å; H252-N255 PolarHBondContact O-ND2 3.05Å; D253-N255 PolarHBondContact O-N 2.78Å
256V98.9Very high98.2Very high0 Ų035.3 Ų35.30%016%0.164CC..EExtended strand (participates in β ladder)trans-135136.8-177.2-173.10000110.2F220 S225 V237 R239 C251 H252 R254F220-V256 HydrophobicContact CE2-CG2 4.18Å; S225-V256 WeakPolarHBondContact OG-CG2 3.28Å; V237-V256 HydrophobicContact CB-CG1 4.43Å; V237-V256 HydrophobicContact CB-CG2 4.2Å; V237-V256 CarbonylContact O-C 3.04Å; V237-V256 VanDerWaalsContact O-CA 3.29Å; V237-V256 WeakPolarHBondContact O-CA 3.31Å; R239-V256 HydrophobicContact CG-CG1 3.96Å; C251-V256 PolarHBondContact N-O 3.21Å; C251-V256 PolarHBondContact O-N 2.92Å; H252-V256 HydrophobicContact CB-CG2 4.25Å; R254-V256 PolarHBondContact O-N 3.14Å
257V98.9Very high98Very high0 Ų032 Ų320%015%0.147CC..EExtended strand (participates in β ladder)trans-123134.2167.767.60000110.6L236 V237 R239 Y248 N249 W250 I259 M276 F286L236-V257 HydrophobicContact CD1-CB 4.36Å; L236-V257 HydrophobicContact CD1-CG1 4.04Å; L236-V257 HydrophobicContact CD2-CG1 4.01Å; L236-V257 HydrophobicContact CG-CG1 4.33Å; V237-V257 PolarHBondContact O-N 2.79Å; R239-V257 PolarHBondContact N-O 3.27Å; Y248-V257 HydrophobicContact CD2-CG2 4.43Å; N249-V257 WeakPolarHBondContact O-CA 3.25Å; W250-V257 HydrophobicContact CD2-CB 4.06Å; W250-V257 HydrophobicContact CD2-CG2 3.97Å; W250-V257 HydrophobicContact CE3-CB 3.67Å; W250-V257 HydrophobicContact CE3-CG2 4.12Å; W250-V257 HydrophobicContact CG-CG2 4.48Å; W250-V257 HydrophobicContact CH2-CB 4Å; W250-V257 HydrophobicContact CH2-CG1 4.33Å; W250-V257 HydrophobicContact CH2-CG2 4.46Å; W250-V257 HydrophobicContact CZ2-CB 4.32Å; W250-V257 HydrophobicContact CZ2-CG2 4.28Å; W250-V257 HydrophobicContact CZ3-CB 3.68Å; W250-V257 HydrophobicContact CZ3-CG1 4.32Å; W250-V257 HydrophobicContact CZ3-CG2 4.4Å; V257-I259 HydrophobicContact CG1-CD1 4.47Å; V257-I259 HydrophobicContact CG1-CG1 4.49Å; V257-I259 HydrophobicContact CG2-CG1 4.39Å; V257-M276 HydrophobicContact CG1-SD 4.4Å; V257-F286 HydrophobicContact CG2-CE1 3.87Å; V257-F286 HydrophobicContact CG2-CZ 3.81Å
258T98.9Very high97.7Very high2 Ų237.8 Ų37.81%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-97.5130.4169.1-60.50000109.1R239 Q242 V244 Y248 N249R239-T258 VanDerWaalsContact CD-OG1 3.28Å; R239-T258 WeakPolarHBondContact CD-OG1 3.47Å; R239-T258 CarbonylContact O-C 3.57Å; R239-T258 VanDerWaalsContact O-CA 3.29Å; R239-T258 WeakPolarHBondContact O-CA 3.24Å; Q242-T258 HydrophobicContact CB-CG2 4.15Å; Q242-T258 WeakPolarHBondContact O-CG2 3.39Å; V244-T258 HydrophobicContact CG1-CG2 3.8Å; V244-T258 HydrophobicContact CG2-CG2 4.22Å; Y248-T258 CarbonylContact C-O 3.57Å; Y248-T258 WeakPolarHBondContact CA-O 3.39Å; Y248-T258 WeakPolarHBondContact CB-O 3.5Å; N249-T258 PolarHBondContact N-O 3.08Å; N249-T258 PolarHBondContact O-N 3.4Å
259I98.9Very high97.4Very high0 Ų037.2 Ų37.20%017%0.174CC..EExtended strand (participates in β ladder)trans-122.8129.2176.7-56.7167.2000108.4V54 G56 M83 S238 R239 A240 V257 A274 M276 F286V54-I259 HydrophobicContact CB-CD1 4.44Å; V54-I259 HydrophobicContact CG1-CD1 3.95Å; G56-I259 WeakPolarHBondContact CA-O 3.33Å; M83-I259 HydrophobicContact CE-CB 3.94Å; M83-I259 HydrophobicContact CE-CD1 4.07Å; M83-I259 HydrophobicContact CE-CG1 4.44Å; S238-I259 WeakPolarHBondContact OG-CD1 3.44Å; R239-I259 PolarHBondContact O-N 3.27Å; A240-I259 WeakPolarHBondContact CA-O 3.44Å; A240-I259 WeakPolarHBondContact CB-O 3.42Å; V257-I259 HydrophobicContact CG1-CD1 4.47Å; V257-I259 HydrophobicContact CG1-CG1 4.49Å; V257-I259 HydrophobicContact CG2-CG1 4.39Å; I259-A274 WeakPolarHBondContact CG2-O 3.33Å; I259-M276 HydrophobicContact CD1-CB 3.49Å; I259-M276 VanDerWaalsContact CD1-CB 3.49Å; I259-M276 HydrophobicContact CD1-CE 4.06Å; I259-M276 HydrophobicContact CD1-CG 4.44Å; I259-M276 HydrophobicContact CD1-SD 4.23Å; I259-F286 HydrophobicContact CD1-CE1 4.35Å; I259-F286 HydrophobicContact CG1-CE1 4.22Å
260F98.9Very high97.2Very high2 Ų235.9 Ų35.91%0.00918%0.179CC..BIsolated β-bridgetrans-127.7121.6179.9-162.7-93.5000109.4D57 L243 V244 G247 A262 Y265 A273 A274D57-F260 HydrophobicContact CB-CD2 3.97Å; D57-F260 HydrophobicContact CB-CE2 3.65Å; D57-F260 HydrophobicContact CB-CZ 4.12Å; D57-F260 WeakPolarHBondContact OD2-CE2 3.26Å; L243-F260 HydrophobicContact CB-CE2 4.3Å; L243-F260 HydrophobicContact CB-CZ 4.32Å; L243-F260 HydrophobicContact CD1-CE1 4.41Å; L243-F260 HydrophobicContact CG-CE1 4.46Å; V244-F260 HydrophobicContact CG2-CB 3.86Å; G247-F260 PolarHBondContact O-N 3.37Å; F260-A262 HydrophobicContact CD1-CB 4.38Å; F260-A262 HydrophobicContact CE1-CB 3.72Å; F260-A262 VanDerWaalsContact CE1-O 3.24Å; F260-A262 WeakPolarHBondContact CE1-O 3.28Å; F260-A262 HydrophobicContact CZ-CB 4.25Å; F260-Y265 HydrophobicContact CE1-CD2 4.05Å; F260-Y265 AromaticContact CE1-CG 3.9Å; F260-Y265 HydrophobicContact CE1-CG 3.9Å; F260-Y265 HydrophobicContact CZ-CD1 4.06Å; F260-Y265 AromaticContact CZ-CD2 3.75Å; F260-Y265 HydrophobicContact CZ-CD2 3.75Å; F260-Y265 HydrophobicContact CZ-CE1 4.34Å; F260-Y265 HydrophobicContact CZ-CE2 4.09Å; F260-Y265 AromaticContact CZ-CG 3.71Å; F260-Y265 HydrophobicContact CZ-CG 3.71Å; F260-A273 CarbonylContact O-C 3.53Å; F260-A273 VanDerWaalsContact O-CA 3.25Å; F260-A273 WeakPolarHBondContact O-CA 3.44Å; F260-A274 PolarHBondContact O-N 2.79Å
261S98.9Very high97.2Very high3 Ų333.3 Ų33.32%0.02117%0.17CC..  trans-109.89.2-167.8-600000114.2G56 D57 P263 A274G56-S261 PolarHBondContact N-OG 2.92Å; D57-S261 CarbonylContact O-C 3.5Å; D57-S261 VanDerWaalsContact O-CA 3.24Å; D57-S261 WeakPolarHBondContact O-CA 3.43Å; D57-S261 VanDerWaalsContact O-CB 3.32Å; D57-S261 WeakPolarHBondContact O-CB 3.48Å; D57-S261 PolarHBondContact O-N 3.38Å; S261-P263 WeakPolarHBondContact O-CD 3.47Å; S261-A274 PolarHBondContact OG-O 2.82Å
262A98.6Very high97.2Very high0 Ų034.9 Ų34.90%018%0.175CC..  trans-105.996.9175.700000110.9D57 F260 Y265 N271D57-A262 PolarHBondContact O-N 3.43Å; F260-A262 HydrophobicContact CD1-CB 4.38Å; F260-A262 HydrophobicContact CE1-CB 3.72Å; F260-A262 VanDerWaalsContact CE1-O 3.24Å; F260-A262 WeakPolarHBondContact CE1-O 3.28Å; F260-A262 HydrophobicContact CZ-CB 4.25Å; A262-Y265 HydrophobicContact CB-CD2 4.04Å; A262-N271 PolarHBondContact O-ND2 3.45Å
263P98.3Very high97.2Very high1 Ų134.3 Ų34.31%0.00617%0.173CC..THydrogen-bonded Turntrans-73.9147.2-176.431.8-35.9000110.4Q61 D64 S261 Y265 A273 F289 P291Q61-P263 PolarHBondContact NE2-O 3.35Å; D64-P263 HydrophobicContact CB-CG 3.72Å; S261-P263 WeakPolarHBondContact O-CD 3.47Å; P263-Y265 VanDerWaalsContact C-N 3.27Å; P263-Y265 PolarHBondContact O-N 3.07Å; P263-A273 HydrophobicContact CB-CB 3.64Å; P263-A273 HydrophobicContact CG-CB 4Å; P263-F289 HydrophobicContact CG-CD2 4.18Å; P263-F289 HydrophobicContact CG-CE2 3.87Å; P263-P291 HydrophobicContact CB-CB 4.39Å; P263-P291 HydrophobicContact CB-CG 3.86Å; P263-P291 HydrophobicContact CG-CB 4.24Å; P263-P291 HydrophobicContact CG-CG 4.25Å
264N97.4Very high97.3Very high36 Ų3628.2 Ų28.219%0.19314%0.14CC..THydrogen-bonded Turntrans43.556.2-171.8-176.830.5000111.3Y267 R268 C269 G270 N271 P291N264-Y267 CarbonylContact O-C 3.59Å; N264-Y267 WeakPolarHBondContact O-CA 3.3Å; N264-Y267 PolarHBondContact O-N 2.7Å; N264-R268 PolarHBondContact O-N 3.42Å; N264-R268 WeakPolarHBondContact OD1-CA 3.49Å; N264-R268 PolarHBondContact OD1-N 3.15Å; N264-C269 PolarHBondContact OD1-N 3.21Å; N264-G270 PolarHBondContact OD1-N 3.26Å; N264-N271 PolarHBondContact N-O 3.32Å; N264-P291 HydrophobicContact CB-CB 4.48Å; N264-P291 HydrophobicContact CB-CG 3.42Å; N264-P291 VanDerWaalsContact CB-CG 3.42Å
265Y97.2Very high97.3Very high29 Ų2920.8 Ų20.811%0.11411%0.112CC..G310 helixtrans-48.4142.6-170.7-178.5-129.2000112.9H59 R89 L243 F260 A262 P263 Y267 R268 C269 N271H59-Y265 HydrophobicContact CB-CD2 4.46Å; H59-Y265 HydrophobicContact CB-CE2 3.71Å; H59-Y265 AromaticContact CD2-CE2 3.11Å; H59-Y265 WeakPolarHBondContact CD2-CE2 3.41Å; H59-Y265 AromaticContact CD2-CZ 3.52Å; H59-Y265 PolarHBondContact CD2-OH 3.14Å; H59-Y265 VanDerWaalsContact CD2-OH 3.27Å; H59-Y265 PolarHBondContact CE1-OH 3.42Å; H59-Y265 AromaticContact CG-CE2 3.55Å; H59-Y265 AromaticContact NE2-CE2 3.77Å; H59-Y265 AromaticContact NE2-CZ 3.65Å; H59-Y265 PolarHBondContact NE2-OH 3.09Å; R89-Y265 HydrophobicContact CB-CE2 4.37Å; R89-Y265 HydrophobicContact CG-CE2 4.2Å; R89-Y265 WeakPolarHBondContact CG-OH 3.32Å; L243-Y265 HydrophobicContact CD1-CD1 3.61Å; L243-Y265 HydrophobicContact CD1-CG 3.98Å; F260-Y265 HydrophobicContact CE1-CD2 4.05Å; F260-Y265 AromaticContact CE1-CG 3.9Å; F260-Y265 HydrophobicContact CE1-CG 3.9Å; F260-Y265 HydrophobicContact CZ-CD1 4.06Å; F260-Y265 AromaticContact CZ-CD2 3.75Å; F260-Y265 HydrophobicContact CZ-CD2 3.75Å; F260-Y265 HydrophobicContact CZ-CE1 4.34Å; F260-Y265 HydrophobicContact CZ-CE2 4.09Å; F260-Y265 AromaticContact CZ-CG 3.71Å; F260-Y265 HydrophobicContact CZ-CG 3.71Å; A262-Y265 HydrophobicContact CB-CD2 4.04Å; P263-Y265 VanDerWaalsContact C-N 3.27Å; P263-Y265 PolarHBondContact O-N 3.07Å; Y265-Y267 PolarHBondContact O-N 2.88Å; Y265-R268 PolarHBondContact O-N 2.96Å; Y265-C269 WeakPolarHBondContact O-CB 3.4Å; Y265-C269 PolarHBondContact O-N 2.74Å; Y265-C269 PolarHBondContact O-SG 3.22Å; Y265-C269 VanDerWaalsContact O-SG 3.35Å; Y265-N271 WeakPolarHBondContact CB-OD1 3.21Å; Y265-N271 PolarHBondContact N-OD1 2.96Å
266C92.9Very high97.3Very high6 Ų619.3 Ų19.34%0.04110%0.104CC..G310 helixtrans54.421.3-174.6-70.70000112.7R268 F308C266-R268 WeakPolarHBondContact O-CG 3.13Å; C266-R268 PolarHBondContact O-N 2.74Å; C266-F308 HydrophobicContact CB-CD1 3.98Å
267Y92.9Very high97.3Very high43 Ų4321.9 Ų21.917%0.16912%0.116CC..G310 helixtrans62.119.4-174.6-45.7-57.9000114.8Q61 G90 Y91 N264 Y265 R294 F308Q61-Y267 HydrophobicContact CG-CE1 3.9Å; G90-Y267 WeakPolarHBondContact CA-OH 3.18Å; Y91-Y267 HydrophobicContact CD2-CD2 4.12Å; Y91-Y267 AromaticContact CD2-CE2 3.29Å; Y91-Y267 HydrophobicContact CD2-CE2 3.29Å; Y91-Y267 AromaticContact CD2-CZ 3.67Å; Y91-Y267 AromaticContact CE2-CD2 3.65Å; Y91-Y267 HydrophobicContact CE2-CD2 3.65Å; Y91-Y267 AromaticContact CE2-CE2 3.3Å; Y91-Y267 HydrophobicContact CE2-CE2 3.3Å; Y91-Y267 HydrophobicContact CG-CE2 4.15Å; Y91-Y267 PolarHBondContact N-OH 3.13Å; Y91-Y267 VanDerWaalsContact N-OH 3.12Å; N264-Y267 CarbonylContact O-C 3.59Å; N264-Y267 WeakPolarHBondContact O-CA 3.3Å; N264-Y267 PolarHBondContact O-N 2.7Å; Y265-Y267 PolarHBondContact O-N 2.88Å; Y267-R294 VanDerWaalsContact CD1-NH2 3.26Å; Y267-F308 HydrophobicContact CD2-CD1 4.37Å; Y267-F308 AromaticContact CD2-CE1 3.53Å; Y267-F308 HydrophobicContact CD2-CE1 3.53Å; Y267-F308 AromaticContact CD2-CZ 3.86Å; Y267-F308 HydrophobicContact CD2-CZ 3.86Å; Y267-F308 AromaticContact CE2-CE1 3.55Å; Y267-F308 HydrophobicContact CE2-CE1 3.55Å; Y267-F308 AromaticContact CE2-CZ 3.74Å; Y267-F308 HydrophobicContact CE2-CZ 3.74Å
268R92Very high97.3Very high122 Ų12222.1 Ų22.146%0.4612%0.117SC..THydrogen-bonded Turntrans-143.1-28.2-174.1-57.5-169.4-35.2-142.2-2.5116.2N264 Y265 C266 G270 F308N264-R268 PolarHBondContact O-N 3.42Å; N264-R268 WeakPolarHBondContact OD1-CA 3.49Å; N264-R268 PolarHBondContact OD1-N 3.15Å; Y265-R268 PolarHBondContact O-N 2.96Å; C266-R268 WeakPolarHBondContact O-CG 3.13Å; C266-R268 PolarHBondContact O-N 2.74Å; R268-G270 VanDerWaalsContact C-N 3.26Å; R268-G270 PolarHBondContact O-N 3.2Å; R268-F308 PolarHBondContact NH1-O 3.42Å; R268-F308 PolarHBondContact NH2-O 3.41Å
269C92.9Very high97.2Very high54 Ų5425 Ų2537%0.36513%0.132SC..SBendtrans-71.1-19.7-167.4-66.90000114L243 N264 Y265 N271L243-C269 HydrophobicContact CD1-CB 3.55Å; N264-C269 PolarHBondContact OD1-N 3.21Å; Y265-C269 WeakPolarHBondContact O-CB 3.4Å; Y265-C269 PolarHBondContact O-N 2.74Å; Y265-C269 PolarHBondContact O-SG 3.22Å; Y265-C269 VanDerWaalsContact O-SG 3.35Å; C269-N271 PolarHBondContact O-N 3.1Å
270G95.6Very high97.1Very high52 Ų5230.9 Ų30.954%0.53616%0.164SC..  trans70.411175.800000115.7N264 R268N264-G270 PolarHBondContact OD1-N 3.26Å; R268-G270 VanDerWaalsContact C-N 3.26Å; R268-G270 PolarHBondContact O-N 3.2Å
271N98.3Very high96.9Very high3 Ų335 Ų352%0.01619%0.19CC..  trans-71.7153.717363.2-70.2000111.8L243 M245 A262 N264 Y265 C269L243-N271 HydrophobicContact CD1-CB 4.44Å; L243-N271 HydrophobicContact CD2-CB 4.18Å; L243-N271 HydrophobicContact CG-CB 4.31Å; M245-N271 HydrophobicContact CE-CB 4.2Å; M245-N271 CarbonylContact O-C 3.6Å; M245-N271 WeakPolarHBondContact O-CA 3.23Å; M245-N271 HydrophobicContact SD-CB 4.09Å; A262-N271 PolarHBondContact O-ND2 3.45Å; N264-N271 PolarHBondContact N-O 3.32Å; Y265-N271 WeakPolarHBondContact CB-OD1 3.21Å; Y265-N271 PolarHBondContact N-OD1 2.96Å; C269-N271 PolarHBondContact O-N 3.1Å
272Q98.2Very high96.7Very high53 Ų5336.2 Ų36.225%0.24820%0.196CC..  trans-75.6166.1159.4-56.9-163.9-71.200110.1M245 G247 Q288 D290M245-Q272 PolarHBondContact O-N 3.36Å; G247-Q272 WeakPolarHBondContact CA-O 3.12Å; G247-Q272 PolarHBondContact N-O 2.83Å; Q272-Q288 VanDerWaalsContact OE1-NE2 3.17Å; Q272-D290 PolarHBondContact NE2-OD1 3.18Å
273A98.8Very high96.6Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-111.5161166.900000110.7F260 P263 Q288 F289F260-A273 CarbonylContact O-C 3.53Å; F260-A273 VanDerWaalsContact O-CA 3.25Å; F260-A273 WeakPolarHBondContact O-CA 3.44Å; P263-A273 HydrophobicContact CB-CB 3.64Å; P263-A273 HydrophobicContact CG-CB 4Å; A273-Q288 CarbonylContact O-C 3.13Å; A273-Q288 VanDerWaalsContact O-CA 3.22Å; A273-Q288 WeakPolarHBondContact O-CA 3.1Å; A273-F289 HydrophobicContact CB-CD1 4.01Å; A273-F289 HydrophobicContact CB-CD2 4.05Å; A273-F289 HydrophobicContact CB-CE1 3.56Å; A273-F289 HydrophobicContact CB-CE2 3.63Å; A273-F289 HydrophobicContact CB-CG 4.23Å; A273-F289 HydrophobicContact CB-CZ 3.36Å; A273-F289 PolarHBondContact N-O 2.97Å; A273-F289 PolarHBondContact O-N 3.17Å
274A98.8Very high96.5Very high0 Ų047.8 Ų47.80%024%0.244CC..EExtended strand (participates in β ladder)trans-142.7163.3171.500000112.6G247 Y248 I259 F260 S261 L287 Q288G247-A274 WeakPolarHBondContact O-CB 3.15Å; Y248-A274 HydrophobicContact CD1-CB 3.95Å; Y248-A274 HydrophobicContact CG-CB 4.46Å; I259-A274 WeakPolarHBondContact CG2-O 3.33Å; F260-A274 PolarHBondContact O-N 2.79Å; S261-A274 PolarHBondContact OG-O 2.82Å; A274-L287 CarbonylContact C-O 3.49Å; A274-L287 VanDerWaalsContact CA-O 3.23Å; A274-L287 WeakPolarHBondContact CA-O 3.12Å; A274-Q288 HydrophobicContact CB-CG 4.12Å
275I98.9Very high96.5Very high0 Ų048.8 Ų48.80%025%0.254CS..EExtended strand (participates in β ladder)trans-129.9152.4165.256.1-175.9000109T53 C55 L68 I71 F286 L287 F289T53-I275 HydrophobicContact CG2-CB 4Å; T53-I275 HydrophobicContact CG2-CD1 3.83Å; T53-I275 HydrophobicContact CG2-CG1 4.2Å; C55-I275 HydrophobicContact CB-CG2 4.29Å; C55-I275 VanDerWaalsContact SG-CG2 3.58Å; L68-I275 HydrophobicContact CD1-CG2 3.67Å; L68-I275 HydrophobicContact CD2-CG2 4.36Å; L68-I275 HydrophobicContact CG-CG2 3.72Å; I71-I275 HydrophobicContact CG2-CD1 4.17Å; I275-F286 WeakPolarHBondContact O-CA 3.36Å; I275-L287 HydrophobicContact CD1-CB 4.41Å; I275-L287 HydrophobicContact CD1-CD1 4.4Å; I275-L287 HydrophobicContact CG1-CB 3.9Å; I275-L287 PolarHBondContact N-O 2.88Å; I275-L287 PolarHBondContact O-N 2.85Å; I275-F289 HydrophobicContact CG2-CE1 4.28Å
276M98.9Very high96.6Very high0 Ų049.2 Ų49.20%026%0.256CS..EExtended strand (participates in β ladder)trans-110.5115.7176179.3-17968.300109.8T53 V54 L236 V257 I259 L278 S285 F286T53-M276 CarbonylContact C-O 3.58Å; V54-M276 HydrophobicContact CB-CB 4.3Å; V54-M276 HydrophobicContact CB-CE 3.89Å; V54-M276 HydrophobicContact CG1-CE 4.18Å; V54-M276 HydrophobicContact CG2-CE 3.81Å; V54-M276 PolarHBondContact N-O 2.98Å; V54-M276 PolarHBondContact O-N 2.99Å; L236-M276 HydrophobicContact CD2-SD 4.4Å; V257-M276 HydrophobicContact CG1-SD 4.4Å; I259-M276 HydrophobicContact CD1-CB 3.49Å; I259-M276 VanDerWaalsContact CD1-CB 3.49Å; I259-M276 HydrophobicContact CD1-CE 4.06Å; I259-M276 HydrophobicContact CD1-CG 4.44Å; I259-M276 HydrophobicContact CD1-SD 4.23Å; M276-L278 HydrophobicContact CE-CD1 4.21Å; M276-L278 HydrophobicContact CE-CD2 4.15Å; M276-L278 HydrophobicContact CE-CG 4.23Å; M276-L278 HydrophobicContact CG-CD2 4.46Å; M276-L278 HydrophobicContact SD-CD2 4.33Å; M276-S285 CarbonylContact C-O 3.52Å; M276-S285 WeakPolarHBondContact CA-O 3.5Å; M276-F286 HydrophobicContact CB-CD1 3.95Å; M276-F286 HydrophobicContact CB-CE1 3.69Å; M276-F286 HydrophobicContact CB-CZ 4.35Å; M276-F286 HydrophobicContact CG-CD1 4.3Å; M276-F286 HydrophobicContact CG-CE1 3.8Å; M276-F286 HydrophobicContact CG-CZ 3.95Å; M276-F286 HydrophobicContact SD-CE1 3.94Å; M276-F286 HydrophobicContact SD-CZ 3.74Å
277E98.8Very high96.8Very high54 Ų5451.4 Ų51.425%0.25227%0.267SS..EExtended strand (participates in β ladder)trans-88.5129.6173.3-62.1-173.214300109.8T53 Y284 S285 L287T53-E277 HydrophobicContact CG2-CG 4.17Å; E277-Y284 CarbonylContact O-C 3.47Å; E277-Y284 VanDerWaalsContact O-CA 3.23Å; E277-Y284 WeakPolarHBondContact O-CA 3.14Å; E277-S285 PolarHBondContact N-O 2.69Å; E277-S285 PolarHBondContact O-N 3.23Å; E277-L287 VanDerWaalsContact CD-CD1 3.45Å; E277-L287 HydrophobicContact CG-CD1 4.13Å; E277-L287 WeakPolarHBondContact OE1-CD1 3.46Å
278L98.6Very high97.1Very high4 Ų453.2 Ų53.22%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-107.9117.1170.9-61.9173000108.5P51 V52 V54 V159 I163 M276 L282 K283P51-L278 CarbonylContact C-O 3.09Å; P51-L278 WeakPolarHBondContact CA-O 3.18Å; P51-L278 WeakPolarHBondContact CB-O 3.48Å; V52-L278 HydrophobicContact CG1-CB 4.22Å; V52-L278 HydrophobicContact CG1-CD1 3.93Å; V52-L278 PolarHBondContact N-O 2.98Å; V52-L278 WeakPolarHBondContact O-CB 3.5Å; V52-L278 PolarHBondContact O-N 2.85Å; V54-L278 HydrophobicContact CG2-CD1 3.99Å; V159-L278 HydrophobicContact CB-CD1 4.35Å; V159-L278 HydrophobicContact CG1-CD1 3.95Å; V159-L278 HydrophobicContact CG2-CD1 4.39Å; I163-L278 HydrophobicContact CD1-CD1 3.75Å; I163-L278 HydrophobicContact CD1-CD2 3.54Å; I163-L278 HydrophobicContact CD1-CG 4.32Å; M276-L278 HydrophobicContact CE-CD1 4.21Å; M276-L278 HydrophobicContact CE-CD2 4.15Å; M276-L278 HydrophobicContact CE-CG 4.23Å; M276-L278 HydrophobicContact CG-CD2 4.46Å; M276-L278 HydrophobicContact SD-CD2 4.33Å; L278-L282 HydrophobicContact CD1-CD2 4.48Å; L278-K283 WeakPolarHBondContact CA-O 3.28Å
279D97.6Very high97.4Very high62 Ų6247.8 Ų47.833%0.33226%0.257SS..  trans-75.3179.7177.9811.6000113C50 T281 L282 K283C50-D279 VanDerWaalsContact CB-O 3.31Å; C50-D279 WeakPolarHBondContact CB-O 3.29Å; C50-D279 PolarHBondContact SG-O 3.04Å; D279-T281 PolarHBondContact O-N 2.93Å; D279-T281 VanDerWaalsContact OD1-C 3.26Å; D279-T281 VanDerWaalsContact OD1-CA 3.28Å; D279-T281 WeakPolarHBondContact OD1-CA 3.29Å; D279-T281 PolarHBondContact OD1-N 3.29Å; D279-T281 PolarHBondContact OD1-OG1 3.41Å; D279-T281 PolarHBondContact OD2-OG1 2.71Å; D279-L282 PolarHBondContact O-N 2.75Å; D279-L282 PolarHBondContact OD1-N 3.24Å; D279-K283 PolarHBondContact N-O 3.36Å; D279-K283 PolarHBondContact OD1-N 2.88Å
280D95.9Very high97.7Very high124 Ų12449.9 Ų49.966%0.66327%0.265SS*.THydrogen-bonded Turntrans-58.2-9.7179.2-56.5-65.4000114.4C50 P51C50-D280 VanDerWaalsContact SG-CA 3.58Å; C50-D280 PolarHBondContact SG-O 2.79Å; C50-D280 VanDerWaalsContact SG-O 3.34Å; P51-D280 VanDerWaalsContact CD-OD1 3.29Å; P51-D280 WeakPolarHBondContact CD-OD1 3.31Å; P51-D280 WeakPolarHBondContact CG-OD1 3.43Å
281T95.8Very high97.7Very high90 Ų9049.8 Ų49.855%0.55225%0.254SS*.THydrogen-bonded Turntrans-122.318.2-179.463.80000113D279 K283D279-T281 PolarHBondContact O-N 2.93Å; D279-T281 VanDerWaalsContact OD1-C 3.26Å; D279-T281 VanDerWaalsContact OD1-CA 3.28Å; D279-T281 WeakPolarHBondContact OD1-CA 3.29Å; D279-T281 PolarHBondContact OD1-N 3.29Å; D279-T281 PolarHBondContact OD1-OG1 3.41Å; D279-T281 PolarHBondContact OD2-OG1 2.71Å; T281-K283 PolarHBondContact O-N 3Å
282L94.7Very high97.5Very high28 Ų2850.1 Ų50.115%0.14726%0.258CS..  trans60.819.6-177.3-66.7167.5000115C50 V159 D160 Q162 I163 L278 D279 Y284C50-L282 HydrophobicContact CB-CD2 4.1Å; V159-L282 HydrophobicContact CG1-CD2 4.02Å; D160-L282 HydrophobicContact CB-CD1 3.85Å; D160-L282 HydrophobicContact CB-CD2 4.12Å; D160-L282 HydrophobicContact CB-CG 4.3Å; Q162-L282 HydrophobicContact CB-CD1 4.17Å; Q162-L282 HydrophobicContact CG-CD1 4.49Å; Q162-L282 VanDerWaalsContact NE2-CD1 3.28Å; I163-L282 HydrophobicContact CD1-CD2 4.18Å; L278-L282 HydrophobicContact CD1-CD2 4.48Å; D279-L282 PolarHBondContact O-N 2.75Å; D279-L282 PolarHBondContact OD1-N 3.24Å; L282-Y284 PolarHBondContact O-N 3.14Å
283K96.6Very high96.9Very high142 Ų14252.9 Ų52.962%0.61728%0.28SS*.  trans-72.9127.7169.4-63.1175.7-173164.40108.3L278 D279 T281L278-K283 WeakPolarHBondContact CA-O 3.28Å; D279-K283 PolarHBondContact N-O 3.36Å; D279-K283 PolarHBondContact OD1-N 2.88Å; T281-K283 PolarHBondContact O-N 3Å
284Y95.4Very high95.5Very high101 Ų10159.1 Ų59.140%0.39630%0.304SS..EExtended strand (participates in β ladder)trans-91.2138.4176.948.2-98.9000112.1W250 E277 L282 F286W250-Y284 HydrophobicContact CH2-CE1 4.39Å; W250-Y284 HydrophobicContact CH2-CE2 4.13Å; W250-Y284 HydrophobicContact CZ2-CD2 4.02Å; W250-Y284 AromaticContact CZ2-CE2 3.63Å; W250-Y284 HydrophobicContact CZ2-CE2 3.63Å; W250-Y284 AromaticContact CZ2-CZ 3.98Å; E277-Y284 CarbonylContact O-C 3.47Å; E277-Y284 VanDerWaalsContact O-CA 3.23Å; E277-Y284 WeakPolarHBondContact O-CA 3.14Å; L282-Y284 PolarHBondContact O-N 3.14Å; Y284-F286 AromaticContact CD2-CE2 3.85Å; Y284-F286 HydrophobicContact CD2-CE2 3.85Å; Y284-F286 HydrophobicContact CE2-CE2 4.47Å
285S97.8Very high93.4Very high57 Ų5770.9 Ų70.940%0.39935%0.348SS..EExtended strand (participates in β ladder)trans-129.9142.916347.20000110.4M276 E277M276-S285 CarbonylContact C-O 3.52Å; M276-S285 WeakPolarHBondContact CA-O 3.5Å; E277-S285 PolarHBondContact N-O 2.69Å; E277-S285 PolarHBondContact O-N 3.23Å
286F98.7Very high91.2Very high38 Ų3874.1 Ų74.117%0.16738%0.381CS..EExtended strand (participates in β ladder)trans-102.4131.2177.4-64.3-89.6000110Y248 W250 V257 I259 I275 M276 Y284Y248-F286 HydrophobicContact CD1-CB 4.02Å; Y248-F286 HydrophobicContact CD1-CD1 4.06Å; Y248-F286 HydrophobicContact CD1-CG 4.12Å; Y248-F286 HydrophobicContact CD2-CB 4.49Å; Y248-F286 AromaticContact CD2-CD1 3.6Å; Y248-F286 HydrophobicContact CD2-CD1 3.6Å; Y248-F286 HydrophobicContact CD2-CD2 4.08Å; Y248-F286 AromaticContact CD2-CE1 3.75Å; Y248-F286 HydrophobicContact CD2-CE1 3.75Å; Y248-F286 HydrophobicContact CD2-CE2 4.24Å; Y248-F286 AromaticContact CD2-CG 3.78Å; Y248-F286 HydrophobicContact CD2-CG 3.78Å; Y248-F286 HydrophobicContact CD2-CZ 4.09Å; Y248-F286 HydrophobicContact CE1-CB 3.83Å; Y248-F286 HydrophobicContact CE1-CG 4.15Å; Y248-F286 HydrophobicContact CE2-CB 4.32Å; Y248-F286 HydrophobicContact CE2-CD1 4.13Å; Y248-F286 AromaticContact CE2-CD2 3.81Å; Y248-F286 HydrophobicContact CE2-CD2 3.81Å; Y248-F286 HydrophobicContact CE2-CE1 4.44Å; Y248-F286 HydrophobicContact CE2-CE2 4.17Å; Y248-F286 AromaticContact CE2-CG 3.8Å; Y248-F286 HydrophobicContact CE2-CG 3.8Å; Y248-F286 HydrophobicContact CE2-CZ 4.48Å; Y248-F286 HydrophobicContact CG-CB 4.35Å; Y248-F286 AromaticContact CG-CD1 3.56Å; Y248-F286 HydrophobicContact CG-CD1 3.56Å; Y248-F286 HydrophobicContact CG-CE1 4.02Å; Y248-F286 AromaticContact CG-CG 3.94Å; Y248-F286 HydrophobicContact CG-CG 3.94Å; Y248-F286 AromaticContact CZ-CG 3.99Å; W250-F286 AromaticContact CE2-CE2 3.84Å; W250-F286 AromaticContact CE2-CZ 3.88Å; W250-F286 HydrophobicContact CH2-CZ 4.44Å; W250-F286 AromaticContact CZ2-CE2 3.57Å; W250-F286 HydrophobicContact CZ2-CE2 3.57Å; W250-F286 AromaticContact CZ2-CZ 3.54Å; W250-F286 HydrophobicContact CZ2-CZ 3.54Å; W250-F286 AromaticContact NE1-CE2 3.62Å; W250-F286 AromaticContact NE1-CZ 3.94Å; V257-F286 HydrophobicContact CG2-CE1 3.87Å; V257-F286 HydrophobicContact CG2-CZ 3.81Å; I259-F286 HydrophobicContact CD1-CE1 4.35Å; I259-F286 HydrophobicContact CG1-CE1 4.22Å; I275-F286 WeakPolarHBondContact O-CA 3.36Å; M276-F286 HydrophobicContact CB-CD1 3.95Å; M276-F286 HydrophobicContact CB-CE1 3.69Å; M276-F286 HydrophobicContact CB-CZ 4.35Å; M276-F286 HydrophobicContact CG-CD1 4.3Å; M276-F286 HydrophobicContact CG-CE1 3.8Å; M276-F286 HydrophobicContact CG-CZ 3.95Å; M276-F286 HydrophobicContact SD-CE1 3.94Å; M276-F286 HydrophobicContact SD-CZ 3.74Å; Y284-F286 AromaticContact CD2-CE2 3.85Å; Y284-F286 HydrophobicContact CD2-CE2 3.85Å; Y284-F286 HydrophobicContact CE2-CE2 4.47Å
287L98.6Very high88.6Confident53 Ų5380.2 Ų80.228%0.27741%0.41SS..EExtended strand (participates in β ladder)trans-111.6111.6172.4-57.3-179.1000108.2I71 A274 I275 E277I71-L287 HydrophobicContact CG2-CB 3.84Å; I71-L287 HydrophobicContact CG2-CD1 3.79Å; I71-L287 HydrophobicContact CG2-CG 4.45Å; A274-L287 CarbonylContact C-O 3.49Å; A274-L287 VanDerWaalsContact CA-O 3.23Å; A274-L287 WeakPolarHBondContact CA-O 3.12Å; I275-L287 HydrophobicContact CD1-CB 4.41Å; I275-L287 HydrophobicContact CD1-CD1 4.4Å; I275-L287 HydrophobicContact CG1-CB 3.9Å; I275-L287 PolarHBondContact N-O 2.88Å; I275-L287 PolarHBondContact O-N 2.85Å; E277-L287 VanDerWaalsContact CD-CD1 3.45Å; E277-L287 HydrophobicContact CG-CD1 4.13Å; E277-L287 WeakPolarHBondContact OE1-CD1 3.46Å
288Q98.6Very high86.1Confident81 Ų8181.7 Ų81.738%0.37942%0.424SS..EExtended strand (participates in β ladder)trans-89.2149.8176.3-66.4171.9-86.600110.8E246 Y248 Q272 A273 A274E246-Q288 PolarHBondContact O-NE2 2.83Å; Y248-Q288 HydrophobicContact CD1-CG 4.06Å; Y248-Q288 HydrophobicContact CE1-CG 3.91Å; Q272-Q288 VanDerWaalsContact OE1-NE2 3.17Å; A273-Q288 CarbonylContact O-C 3.13Å; A273-Q288 VanDerWaalsContact O-CA 3.22Å; A273-Q288 WeakPolarHBondContact O-CA 3.1Å; A274-Q288 HydrophobicContact CB-CG 4.12Å
289F98.5Very high83.4Confident8 Ų890.7 Ų90.74%0.03547%0.465CS..EExtended strand (participates in β ladder)trans-151.8149.6178.965.7-84000113.9E67 L68 I71 P263 A273 I275E67-F289 HydrophobicContact CG-CD2 4.18Å; L68-F289 HydrophobicContact CB-CE2 4.45Å; L68-F289 HydrophobicContact CB-CZ 3.97Å; L68-F289 HydrophobicContact CD1-CZ 4.3Å; L68-F289 HydrophobicContact CG-CZ 4.37Å; I71-F289 HydrophobicContact CD1-CB 3.12Å; I71-F289 HydrophobicContact CD1-CD1 4.13Å; I71-F289 HydrophobicContact CD1-CD2 4.27Å; I71-F289 HydrophobicContact CD1-CG 3.63Å; P263-F289 HydrophobicContact CG-CD2 4.18Å; P263-F289 HydrophobicContact CG-CE2 3.87Å; A273-F289 HydrophobicContact CB-CD1 4.01Å; A273-F289 HydrophobicContact CB-CD2 4.05Å; A273-F289 HydrophobicContact CB-CE1 3.56Å; A273-F289 HydrophobicContact CB-CE2 3.63Å; A273-F289 HydrophobicContact CB-CG 4.23Å; A273-F289 HydrophobicContact CB-CZ 3.36Å; A273-F289 PolarHBondContact N-O 2.97Å; A273-F289 PolarHBondContact O-N 3.17Å; I275-F289 HydrophobicContact CG2-CE1 4.28Å
290D97.9Very high80.9Confident98 Ų9891.3 Ų91.352%0.52447%0.472SS..PPolyproline II helixtrans-91.2166.6176.2-66.1-40.8000110.7Q272Q272-D290 PolarHBondContact NE2-OD1 3.18Å
291P96.4Very high78.5Confident49 Ų4990.9 Ų90.932%0.31847%0.474SS..PPolyproline II helixtrans-58.1144.4178.9-20.530.5000112.8D64 P263 N264D64-P291 WeakPolarHBondContact OD1-CA 3.35Å; P263-P291 HydrophobicContact CB-CB 4.39Å; P263-P291 HydrophobicContact CB-CG 3.86Å; P263-P291 HydrophobicContact CG-CB 4.24Å; P263-P291 HydrophobicContact CG-CG 4.25Å; N264-P291 HydrophobicContact CB-CB 4.48Å; N264-P291 HydrophobicContact CB-CG 3.42Å; N264-P291 VanDerWaalsContact CB-CG 3.42Å
292A93.3Very high76.2Confident10 Ų1099.2 Ų99.28%0.08350%0.495CS..PPolyproline II helixtrans-58.3143.3176.600000110.9H63 D64 E67 R294H63-A292 HydrophobicContact CB-CB 4.3Å; H63-A292 WeakPolarHBondContact O-CB 3.24Å; D64-A292 PolarHBondContact OD1-N 3.21Å; E67-A292 HydrophobicContact CB-CB 4.12Å; A292-R294 PolarHBondContact O-N 3.48Å
293P85.6Confident74.2Confident111 Ų111108.1 Ų108.172%0.72153%0.527SS*.  trans-58.8116176.7-21.731000111.2R295P293-R295 PolarHBondContact O-N 3.19Å; P293-R295 VanDerWaalsContact O-N 3.14Å
294R70Confident72.3Confident132 Ų132105.2 Ų105.250%0.49852%0.521SS..  trans-69.9109.3178.1-63.8-176.5-176.7-177.31110Y267 A292 G296 E297Y267-R294 VanDerWaalsContact CD1-NH2 3.26Å; A292-R294 PolarHBondContact O-N 3.48Å; R294-G296 PolarHBondContact O-N 3.31Å; R294-E297 IonicContact NH1-OE1 2.7Å; R294-E297 PolarHBondContact NH1-OE1 3.21Å
295R55.1Low70.8Confident247 Ų247102.2 Ų102.293%0.93251%0.513SS*.SBendtrans-81.799.8169.4-78.4-170.9176.7-170.80.4109.7P293P293-R295 PolarHBondContact O-N 3.19Å; P293-R295 VanDerWaalsContact O-N 3.14Å
296G52.4Low69.2Low67 Ų67105.9 Ų105.969%0.69153%0.529SS*.SBendtrans64.992.6173.300000111.8R294R294-G296 PolarHBondContact O-N 3.31Å
297E45.3Very low67.7Low128 Ų128106.5 Ų106.560%0.59853%0.53SS*.  trans-53.2127.2172.5-65.6-168.2142.700109.1R294 H299R294-E297 IonicContact NH1-OE1 2.7Å; R294-E297 PolarHBondContact NH1-OE1 3.21Å; E297-H299 PolarHBondContact O-N 3.09Å
298P45.7Very low65.6Low85 Ų85104.2 Ų104.255%0.55252%0.518SS*.  trans-51.5139.7162-13.824.8000106.6V300P298-V300 WeakPolarHBondContact O-CG2 3.48Å; P298-V300 PolarHBondContact O-N 3.07Å
299H41.1Very low63.2Low193 Ų193107.8 Ų107.889%0.89454%0.539SS*.  trans-58.687.2166.5-86.917.6000108.2E297 T301E297-H299 PolarHBondContact O-N 3.09Å; H299-T301 PolarHBondContact O-N 2.61Å; H299-T301 VanDerWaalsContact O-N 3.14Å
300V46.3Very low61.4Low76 Ų76112.8 Ų112.846%0.46156%0.564SS.*  trans-64.1117.9172-170.10000104.4P298 R302P298-V300 WeakPolarHBondContact O-CG2 3.48Å; P298-V300 PolarHBondContact O-N 3.07Å; V300-R302 PolarHBondContact O-N 3.13Å
301T45.6Very low59.5Low115 Ų115113.5 Ų113.571%0.70657%0.566SS**  trans-45.8142.117041.50000108.9H299 R303H299-T301 PolarHBondContact O-N 2.61Å; H299-T301 VanDerWaalsContact O-N 3.14Å; T301-R303 PolarHBondContact O-N 2.96Å
302R46.5Very low57.5Low264 Ų264117.1 Ų117.1100%0.99658%0.58SS**SBendtrans-558.9-170.9-92.4179.7169.6176.6-3.6117.1V300V300-R302 PolarHBondContact O-N 3.13Å
303R52.2Low55.3Low216 Ų216123.4 Ų123.482%0.81561%0.609SS**SBendtrans-124.4108177-117-179.5176.7-170.5-3.7110T301 P305T301-R303 PolarHBondContact O-N 2.96Å; R303-P305 WeakPolarHBondContact O-CD 3.46Å
304T56.6Low53.5Low81 Ų81124.2 Ų124.250%0.49760%0.602SS.*  trans-57.3126.5164.7-49.80000108.9F308T304-F308 HydrophobicContact CG2-CB 3.97Å; T304-F308 HydrophobicContact CG2-CD2 3.75Å; T304-F308 HydrophobicContact CG2-CG 4.19Å
305P64.8Low52.4Low37 Ų37123.7 Ų123.724%0.2461%0.609CS.*  trans-54.6141.5173.6-28.133.2000113.1R303 Y307 F308R303-P305 WeakPolarHBondContact O-CD 3.46Å; P305-Y307 HydrophobicContact CB-CD1 3.85Å; P305-Y307 HydrophobicContact CB-CD2 4.37Å; P305-Y307 HydrophobicContact CB-CE1 3.4Å; P305-Y307 VanDerWaalsContact CB-CE1 3.4Å; P305-Y307 HydrophobicContact CB-CE2 3.95Å; P305-Y307 HydrophobicContact CB-CG 4.31Å; P305-Y307 VanDerWaalsContact CB-CZ 3.44Å; P305-Y307 HydrophobicContact CG-CE1 4.25Å; P305-Y307 PolarHBondContact O-N 3.33Å; P305-F308 HydrophobicContact CB-CD2 3.76Å; P305-F308 HydrophobicContact CB-CE2 3.95Å; P305-F308 HydrophobicContact CG-CD2 3.87Å; P305-F308 HydrophobicContact CG-CE2 3.63Å; P305-F308 WeakPolarHBondContact O-CB 3.21Å; P305-F308 WeakPolarHBondContact O-CD2 3.4Å; P305-F308 PolarHBondContact O-N 3.46Å; P305-F308 VanDerWaalsContact O-N 3.09Å
306D63.9Low52.2Low135 Ų135114.9 Ų114.972%0.72259%0.586SS**G310 helixtrans-64.7-26-175.1-66.5-28.2000112.6F308 L309D306-F308 PolarHBondContact O-N 3.03Å; D306-L309 VanDerWaalsContact O-CB 3.25Å; D306-L309 WeakPolarHBondContact O-CB 3.31Å; D306-L309 WeakPolarHBondContact O-CG 3.38Å; D306-L309 PolarHBondContact O-N 3.39Å
307Y68.1Low52.1Low51 Ų51118.5 Ų118.520%0.258%0.578CS.*G310 helixtrans-74.1-0.717660.6-105.8000114.2R89 Y127 P305R89-Y307 WeakPolarHBondContact CD-O 3.3Å; R89-Y307 PolarHBondContact NH1-O 3.45Å; Y127-Y307 WeakPolarHBondContact O-CD2 3.48Å; P305-Y307 HydrophobicContact CB-CD1 3.85Å; P305-Y307 HydrophobicContact CB-CD2 4.37Å; P305-Y307 HydrophobicContact CB-CE1 3.4Å; P305-Y307 VanDerWaalsContact CB-CE1 3.4Å; P305-Y307 HydrophobicContact CB-CE2 3.95Å; P305-Y307 HydrophobicContact CB-CG 4.31Å; P305-Y307 VanDerWaalsContact CB-CZ 3.44Å; P305-Y307 HydrophobicContact CG-CE1 4.25Å; P305-Y307 PolarHBondContact O-N 3.33Å
308F53.5Low52.7Low4 Ų4117.8 Ų117.82%0.01858%0.576CS.*G310 helixtrans-81.4-4164.7-73.1-65.9000112.8R89 Y91 C266 Y267 R268 T304 P305 D306R89-F308 WeakPolarHBondContact O-CE1 3.42Å; R89-F308 WeakPolarHBondContact O-CZ 3.46Å; Y91-F308 HydrophobicContact CD1-CE2 4.48Å; Y91-F308 HydrophobicContact CD1-CZ 4.07Å; Y91-F308 HydrophobicContact CD2-CZ 4.47Å; Y91-F308 AromaticContact CE1-CE2 3.59Å; Y91-F308 HydrophobicContact CE1-CE2 3.59Å; Y91-F308 AromaticContact CE1-CZ 3.51Å; Y91-F308 HydrophobicContact CE1-CZ 3.51Å; Y91-F308 AromaticContact CE2-CZ 3.97Å; Y91-F308 HydrophobicContact CE2-CZ 3.97Å; Y91-F308 AromaticContact CZ-CE2 3.61Å; Y91-F308 AromaticContact CZ-CZ 3.45Å; Y91-F308 VanDerWaalsContact CZ-CZ 3.45Å; Y91-F308 WeakPolarHBondContact OH-CE2 3.35Å; C266-F308 HydrophobicContact CB-CD1 3.98Å; Y267-F308 HydrophobicContact CD2-CD1 4.37Å; Y267-F308 AromaticContact CD2-CE1 3.53Å; Y267-F308 HydrophobicContact CD2-CE1 3.53Å; Y267-F308 AromaticContact CD2-CZ 3.86Å; Y267-F308 HydrophobicContact CD2-CZ 3.86Å; Y267-F308 AromaticContact CE2-CE1 3.55Å; Y267-F308 HydrophobicContact CE2-CE1 3.55Å; Y267-F308 AromaticContact CE2-CZ 3.74Å; Y267-F308 HydrophobicContact CE2-CZ 3.74Å; R268-F308 PolarHBondContact NH1-O 3.42Å; R268-F308 PolarHBondContact NH2-O 3.41Å; T304-F308 HydrophobicContact CG2-CB 3.97Å; T304-F308 HydrophobicContact CG2-CD2 3.75Å; T304-F308 HydrophobicContact CG2-CG 4.19Å; P305-F308 HydrophobicContact CB-CD2 3.76Å; P305-F308 HydrophobicContact CB-CE2 3.95Å; P305-F308 HydrophobicContact CG-CD2 3.87Å; P305-F308 HydrophobicContact CG-CE2 3.63Å; P305-F308 WeakPolarHBondContact O-CB 3.21Å; P305-F308 WeakPolarHBondContact O-CD2 3.4Å; P305-F308 PolarHBondContact O-N 3.46Å; P305-F308 VanDerWaalsContact O-N 3.09Å; D306-F308 PolarHBondContact O-N 3.03Å
309L48.2Very low53.3Low156 Ų156120.7 Ų120.782%0.81758%0.579SS**  trans-86.90177.7-63.1164.5000112.4R89 D306R89-L309 PolarHBondContact NH1-O 2.57Å; D306-L309 VanDerWaalsContact O-CB 3.25Å; D306-L309 WeakPolarHBondContact O-CB 3.31Å; D306-L309 WeakPolarHBondContact O-CG 3.38Å; D306-L309 PolarHBondContact O-N 3.39Å

Retrieved 309 of 309 residues in 410.2 ms (Link to these results)

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