X2JDI1_DROME Loading...

Serine/threonine-protein phosphatase

AlphaFold DB (P23696), UniProt , Accession X2JDI1, Species DROME (Drosophila melanogaster, Fruit fly), Gene mts, 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
1M43.6Very low76.3Confident244 Ų24494.8 Ų94.8100%1.20248%0.48SS*.  0101.70-70.4179.7-15700105.9D3M1-D3 PolarHBondContact O-N 2.83Å
2E55.3Low78.1Confident105 Ų10596.3 Ų96.349%0.49148%0.484SS..  trans-63.5130170.3-146.3164.7-16100107.1K4 R108E2-K4 PolarHBondContact O-N 2.81Å; E2-K4 VanDerWaalsContact O-N 3.16Å; E2-R108 IonicContact OE1-CZ 3.04Å; E2-R108 IonicContact OE1-NE 3.77Å; E2-R108 IonicContact OE1-NH2 3.92Å; E2-R108 PolarHBondContact OE1-NH2 2.96Å
3D70.5Confident79.7Confident101 Ų10190.8 Ų90.854%0.5445%0.454SS..  trans-63.7117.5-171.9-172.92000109.5M1 A5 T6 T7M1-D3 PolarHBondContact O-N 2.83Å; D3-A5 PolarHBondContact O-N 2.85Å; D3-A5 PolarHBondContact OD1-N 2.68Å; D3-T6 WeakPolarHBondContact O-CA 3.43Å; D3-T6 WeakPolarHBondContact O-CB 3.35Å; D3-T6 PolarHBondContact O-N 2.72Å; D3-T7 PolarHBondContact O-N 3.07Å
4K68Low81Confident183 Ų18385.4 Ų85.480%0.79643%0.427SS*.Hα-helixtrans-53.7-30.9-176.1-77.5-173.9176.1-177.60112.4E2 K8E2-K4 PolarHBondContact O-N 2.81Å; E2-K4 VanDerWaalsContact O-N 3.16Å; K4-K8 PolarHBondContact O-N 3.32Å
5A65.1Low82.2Confident54 Ų5488.1 Ų88.145%0.44644%0.438SS..Hα-helixtrans-64.5-46.1175.200000111.6D3 T7 K8 D9D3-A5 PolarHBondContact O-N 2.85Å; D3-A5 PolarHBondContact OD1-N 2.68Å; A5-T7 VanDerWaalsContact C-N 3.32Å; A5-T7 PolarHBondContact O-N 3.13Å; A5-K8 PolarHBondContact O-N 3.41Å; A5-D9 PolarHBondContact O-N 3.23Å
6T81.1Confident83.2Confident32 Ų3285.9 Ų85.920%0.19643%0.426CS..Hα-helixtrans-61.2-40.2177.5-61.80000111.7D3 D9 L10 K34D3-T6 WeakPolarHBondContact O-CA 3.43Å; D3-T6 WeakPolarHBondContact O-CB 3.35Å; D3-T6 PolarHBondContact O-N 2.72Å; T6-D9 PolarHBondContact O-N 2.86Å; T6-L10 HydrophobicContact CG2-CD1 4.21Å; T6-L10 WeakPolarHBondContact O-CG 3.26Å; T6-L10 PolarHBondContact O-N 2.89Å; T6-L10 VanDerWaalsContact O-N 3.15Å; T6-K34 HydrophobicContact CG2-CD 4.37Å; T6-K34 VanDerWaalsContact CG2-NZ 3.33Å
7T83.4Confident84.1Confident31 Ų3180.9 Ų80.919%0.1940%0.401CS..Hα-helixtrans-63-44.9177.2-52.50000111.6D3 A5 D9 L10 D11D3-T7 PolarHBondContact O-N 3.07Å; A5-T7 VanDerWaalsContact C-N 3.32Å; A5-T7 PolarHBondContact O-N 3.13Å; T7-D9 VanDerWaalsContact C-N 3.35Å; T7-D9 PolarHBondContact O-N 2.81Å; T7-L10 PolarHBondContact O-N 3.33Å; T7-D11 PolarHBondContact O-N 3.2Å
8K86.1Confident84.8Confident151 Ų15180.3 Ų80.366%0.65740%0.4SS*.Hα-helixtrans-63.4-40.8180-172.9-177.8175.9-172.80112K4 A5 L10 D11 Q12K4-K8 PolarHBondContact O-N 3.32Å; A5-K8 PolarHBondContact O-N 3.41Å; K8-L10 VanDerWaalsContact C-N 3.35Å; K8-D11 PolarHBondContact O-N 3.24Å; K8-Q12 PolarHBondContact O-N 3.13Å; K8-Q12 VanDerWaalsContact O-N 3.15Å
9D92.7Very high85.5Confident78 Ų7883.1 Ų83.142%0.41741%0.411SS..Hα-helixtrans-63.4-42.3177.6-67.2-19.6000111.3A5 T6 T7 Q12 W13A5-D9 PolarHBondContact O-N 3.23Å; T6-D9 PolarHBondContact O-N 2.86Å; T7-D9 VanDerWaalsContact C-N 3.35Å; T7-D9 PolarHBondContact O-N 2.81Å; D9-Q12 PolarHBondContact O-N 3.35Å; D9-W13 PolarHBondContact O-N 2.96Å; D9-W13 PolarHBondContact O-NE1 3.38Å
10L96.5Very high86.1Confident5 Ų580.1 Ų80.13%0.02640%0.399CS..Hα-helixtrans-64.9-41.7177-74.2167.4000112.8T6 T7 K8 Q12 W13 I14 L31 V105 R106T6-L10 HydrophobicContact CG2-CD1 4.21Å; T6-L10 WeakPolarHBondContact O-CG 3.26Å; T6-L10 PolarHBondContact O-N 2.89Å; T6-L10 VanDerWaalsContact O-N 3.15Å; T7-L10 PolarHBondContact O-N 3.33Å; K8-L10 VanDerWaalsContact C-N 3.35Å; L10-Q12 VanDerWaalsContact C-N 3.28Å; L10-Q12 PolarHBondContact O-N 3.06Å; L10-W13 HydrophobicContact CD2-CE3 3.91Å; L10-W13 HydrophobicContact CD2-CZ3 4.13Å; L10-W13 PolarHBondContact O-N 2.72Å; L10-I14 WeakPolarHBondContact O-CG1 3.41Å; L10-I14 PolarHBondContact O-N 3.18Å; L10-L31 HydrophobicContact CD2-CD1 4.07Å; L10-V105 HydrophobicContact CD1-CG1 3.75Å; L10-V105 HydrophobicContact CD2-CB 4.42Å; L10-V105 HydrophobicContact CD2-CG1 3.97Å; L10-R106 HydrophobicContact CB-CB 4.39Å; L10-R106 HydrophobicContact CD1-CB 4.48Å
11D97.4Very high86.7Confident59 Ų5980 Ų8032%0.31640%0.399SS..Hα-helixtrans-60-42.1176.7-71.3-27.7000110.5T7 K8 I14 E15 R106T7-D11 PolarHBondContact O-N 3.2Å; K8-D11 PolarHBondContact O-N 3.24Å; D11-I14 PolarHBondContact O-N 3.36Å; D11-E15 PolarHBondContact O-N 2.93Å; D11-R106 IonicContact OD1-CZ 2.77Å; D11-R106 IonicContact OD1-NE 2.77Å; D11-R106 PolarHBondContact OD1-NE 3.29Å; D11-R106 IonicContact OD1-NH2 3.37Å; D11-R106 PolarHBondContact OD1-NH2 2.75Å; D11-R106 IonicContact OD2-NE 3.36Å; D11-R106 IonicContact OD2-NH2 3.56Å
12Q97.8Very high89.3Confident113 Ų11371 Ų7153%0.52836%0.355SS..Hα-helixtrans-66.5-39.4175.2-173.7179.73.300112.5K8 D9 L10 I14 E15 Q16K8-Q12 PolarHBondContact O-N 3.13Å; K8-Q12 VanDerWaalsContact O-N 3.15Å; D9-Q12 PolarHBondContact O-N 3.35Å; L10-Q12 VanDerWaalsContact C-N 3.28Å; L10-Q12 PolarHBondContact O-N 3.06Å; Q12-I14 VanDerWaalsContact C-N 3.33Å; Q12-E15 PolarHBondContact O-N 3.14Å; Q12-Q16 WeakPolarHBondContact O-CB 3.31Å; Q12-Q16 PolarHBondContact O-N 3.4Å
13W98.4Very high91.3Very high25 Ų2566.1 Ų66.110%0.09533%0.332CS..Hα-helixtrans-64-40.5176.7-66.33.5000111.3D9 L10 Q16 L17 L23 Q27 T30 L31D9-W13 PolarHBondContact O-N 2.96Å; D9-W13 PolarHBondContact O-NE1 3.38Å; L10-W13 HydrophobicContact CD2-CE3 3.91Å; L10-W13 HydrophobicContact CD2-CZ3 4.13Å; L10-W13 PolarHBondContact O-N 2.72Å; W13-Q16 PolarHBondContact O-N 3.36Å; W13-L17 WeakPolarHBondContact O-CB 3.16Å; W13-L17 WeakPolarHBondContact O-CD1 3.48Å; W13-L17 WeakPolarHBondContact O-CG 3.37Å; W13-L17 PolarHBondContact O-N 2.96Å; W13-L23 HydrophobicContact CB-CD1 4.07Å; W13-L23 HydrophobicContact CB-CD2 3.82Å; W13-L23 HydrophobicContact CD2-CD1 3.99Å; W13-L23 HydrophobicContact CE3-CD1 3.82Å; W13-L23 HydrophobicContact CG-CD1 4.1Å; W13-L23 HydrophobicContact CG-CD2 3.94Å; W13-Q27 HydrophobicContact CH2-CB 4.22Å; W13-Q27 HydrophobicContact CH2-CG 4.34Å; W13-Q27 HydrophobicContact CZ2-CB 4.06Å; W13-Q27 HydrophobicContact CZ2-CG 3.71Å; W13-Q27 VanDerWaalsContact NE1-NE2 3.12Å; W13-T30 HydrophobicContact CH2-CG2 4.06Å; W13-L31 HydrophobicContact CE3-CB 4.46Å; W13-L31 HydrophobicContact CE3-CD1 4.47Å; W13-L31 HydrophobicContact CZ3-CB 3.95Å; W13-L31 HydrophobicContact CZ3-CD1 4.42Å
14I98.5Very high92.7Very high14 Ų1465 Ų657%0.07233%0.329CS..Hα-helixtrans-64.3-43175.4-70.1163.2000110.6L10 D11 Q12 L17 N18 L99 A102 L103 R106 Y107L10-I14 WeakPolarHBondContact O-CG1 3.41Å; L10-I14 PolarHBondContact O-N 3.18Å; D11-I14 PolarHBondContact O-N 3.36Å; Q12-I14 VanDerWaalsContact C-N 3.33Å; I14-L17 PolarHBondContact O-N 3.42Å; I14-N18 WeakPolarHBondContact CG2-ND2 3.47Å; I14-N18 PolarHBondContact O-N 2.93Å; I14-N18 PolarHBondContact O-ND2 3.03Å; I14-L99 HydrophobicContact CG2-CD1 4.24Å; I14-A102 HydrophobicContact CG1-CB 3.79Å; I14-L103 HydrophobicContact CD1-CD2 4.18Å; I14-L103 HydrophobicContact CG2-CD2 4.24Å; I14-R106 HydrophobicContact CD1-CB 3.64Å; I14-R106 HydrophobicContact CD1-CG 3.7Å; I14-Y107 HydrophobicContact CD1-CE2 4.14Å
15E98.1Very high94.1Very high127 Ų12758.7 Ų58.759%0.59330%0.302SS*.Hα-helixtrans-59.2-49.2175.1-173.9174-157.600111.5D11 Q12 L17 N18 E19D11-E15 PolarHBondContact O-N 2.93Å; Q12-E15 PolarHBondContact O-N 3.14Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-L17 PolarHBondContact O-N 3.39Å; E15-N18 PolarHBondContact O-N 2.92Å; E15-E19 PolarHBondContact O-N 3.49Å
16Q98.3Very high95.7Very high53 Ų5361 Ų6125%0.24831%0.311CS..Hα-helixtrans-56.9-45.1175178-177.8-3200111.9Q12 W13 E19 N21 Q22Q12-Q16 WeakPolarHBondContact O-CB 3.31Å; Q12-Q16 PolarHBondContact O-N 3.4Å; W13-Q16 PolarHBondContact O-N 3.36Å; Q16-E19 WeakPolarHBondContact O-CB 3.26Å; Q16-E19 PolarHBondContact O-N 3.48Å; Q16-N21 HydrophobicContact CG-CB 3.71Å; Q16-N21 WeakPolarHBondContact O-CB 3.48Å; Q16-N21 PolarHBondContact O-N 2.98Å; Q16-Q22 PolarHBondContact NE2-O 2.92Å
17L98.5Very high96.5Very high0 Ų061.4 Ų61.40%031%0.31CS..Hα-helixtrans-66.9-36.3-179.8-74.6162.1000112.2W13 I14 E15 E19 C20 L23 F62 T98 L99 A102W13-L17 WeakPolarHBondContact O-CB 3.16Å; W13-L17 WeakPolarHBondContact O-CD1 3.48Å; W13-L17 WeakPolarHBondContact O-CG 3.37Å; W13-L17 PolarHBondContact O-N 2.96Å; I14-L17 PolarHBondContact O-N 3.42Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-L17 PolarHBondContact O-N 3.39Å; L17-E19 PolarHBondContact O-N 2.96Å; L17-C20 WeakPolarHBondContact O-CA 3.34Å; L17-C20 PolarHBondContact O-N 2.99Å; L17-L23 HydrophobicContact CD1-CD1 4.11Å; L17-L23 HydrophobicContact CD1-CD2 4.32Å; L17-L23 HydrophobicContact CD1-CG 4.1Å; L17-L23 HydrophobicContact CD2-CG 4.16Å; L17-L23 HydrophobicContact CG-CD2 4.15Å; L17-L23 HydrophobicContact CG-CG 4.16Å; L17-F62 WeakPolarHBondContact O-CZ 3.48Å; L17-T98 HydrophobicContact CD1-CG2 3.75Å; L17-T98 HydrophobicContact CD2-CG2 3.74Å; L17-T98 HydrophobicContact CG-CG2 4.38Å; L17-L99 HydrophobicContact CB-CB 4.25Å; L17-L99 HydrophobicContact CB-CD1 3.94Å; L17-A102 HydrophobicContact CD1-CB 3.89Å
18N97.4Very high97.3Very high71 Ų7160 Ų6038%0.3830%0.301SS..Hα-helixtrans-62-24.6174.8-80.2-62.7000112.7I14 E15 C20I14-N18 WeakPolarHBondContact CG2-ND2 3.47Å; I14-N18 PolarHBondContact O-N 2.93Å; I14-N18 PolarHBondContact O-ND2 3.03Å; E15-N18 PolarHBondContact O-N 2.92Å; N18-C20 PolarHBondContact O-N 3.05Å
19E97.2Very high97.9Very high132 Ų13259 Ų5962%0.61729%0.294SS*.THydrogen-bonded Turntrans-81.77.4171.4-61.1-175.4160.500113.3E15 Q16 L17 N21E15-E19 PolarHBondContact O-N 3.49Å; Q16-E19 WeakPolarHBondContact O-CB 3.26Å; Q16-E19 PolarHBondContact O-N 3.48Å; L17-E19 PolarHBondContact O-N 2.96Å; E19-N21 VanDerWaalsContact C-N 3.28Å; E19-N21 WeakPolarHBondContact CB-ND2 3.41Å; E19-N21 PolarHBondContact O-N 2.81Å; E19-N21 PolarHBondContact OE2-ND2 3.23Å
20C97.6Very high98.1Very high24 Ų2457.9 Ų57.916%0.16229%0.29CS..THydrogen-bonded Turntrans61.432.9-173.8-156.90000113L17 N18 F62L17-C20 WeakPolarHBondContact O-CA 3.34Å; L17-C20 PolarHBondContact O-N 2.99Å; N18-C20 PolarHBondContact O-N 3.05Å; C20-F62 HydrophobicContact CB-CD1 3.82Å; C20-F62 HydrophobicContact CB-CE1 3.56Å; C20-F62 HydrophobicContact CB-CZ 4.19Å; C20-F62 WeakPolarHBondContact SG-CD1 3.4Å
21N98.2Very high98.2Very high77 Ų7757.7 Ų57.741%0.41229%0.289SS..  trans-102.9115.7175.7-67.4-45.8000110.2Q16 E19Q16-N21 HydrophobicContact CG-CB 3.71Å; Q16-N21 WeakPolarHBondContact O-CB 3.48Å; Q16-N21 PolarHBondContact O-N 2.98Å; E19-N21 VanDerWaalsContact C-N 3.28Å; E19-N21 WeakPolarHBondContact CB-ND2 3.41Å; E19-N21 PolarHBondContact O-N 2.81Å; E19-N21 PolarHBondContact OE2-ND2 3.23Å
22Q98.2Very high98.3Very high57 Ų5754.9 Ų54.927%0.26627%0.274SS..PPolyproline II helixtrans-59.2146.3178.571.6-177.366.700112.2Q16 V94 E95 K136Q16-Q22 PolarHBondContact NE2-O 2.92Å; Q22-V94 HydrophobicContact CB-CG1 4.07Å; Q22-E95 HydrophobicContact CB-CG 4.46Å; Q22-K136 PolarHBondContact NE2-O 2.9Å; Q22-K136 VanDerWaalsContact NE2-O 3.09Å; Q22-K136 VanDerWaalsContact OE1-CB 3.32Å; Q22-K136 VanDerWaalsContact OE1-CD 3.3Å; Q22-K136 VanDerWaalsContact OE1-CG 3.28Å
23L98.6Very high98.3Very high1 Ų152.8 Ų52.81%0.00527%0.266CS..PPolyproline II helixtrans-72.3158.7169.4-60.1-174.3000111W13 L17 Q27 V28 L31 T98 Y137W13-L23 HydrophobicContact CB-CD1 4.07Å; W13-L23 HydrophobicContact CB-CD2 3.82Å; W13-L23 HydrophobicContact CD2-CD1 3.99Å; W13-L23 HydrophobicContact CE3-CD1 3.82Å; W13-L23 HydrophobicContact CG-CD1 4.1Å; W13-L23 HydrophobicContact CG-CD2 3.94Å; L17-L23 HydrophobicContact CD1-CD1 4.11Å; L17-L23 HydrophobicContact CD1-CD2 4.32Å; L17-L23 HydrophobicContact CD1-CG 4.1Å; L17-L23 HydrophobicContact CD2-CG 4.16Å; L17-L23 HydrophobicContact CG-CD2 4.15Å; L17-L23 HydrophobicContact CG-CG 4.16Å; L23-Q27 HydrophobicContact CB-CB 3.92Å; L23-Q27 HydrophobicContact CD1-CB 4.23Å; L23-V28 HydrophobicContact CB-CG2 4.04Å; L23-L31 HydrophobicContact CD1-CD2 4.23Å; L23-T98 HydrophobicContact CB-CG2 4.35Å; L23-T98 HydrophobicContact CD1-CG2 3.6Å; L23-T98 HydrophobicContact CG-CG2 3.81Å; L23-Y137 WeakPolarHBondContact O-CE1 3.44Å; L23-Y137 PolarHBondContact O-OH 2.9Å
24T98.6Very high98.3Very high79 Ų7954.5 Ų54.549%0.48527%0.274SS..PPolyproline II helixtrans-67.2158.5171.364.10000111.9T26 Q27 V28T24-T26 VanDerWaalsContact C-N 3.29Å; T24-T26 PolarHBondContact O-N 3.14Å; T24-Q27 WeakPolarHBondContact O-CB 3.45Å; T24-Q27 PolarHBondContact O-N 2.99Å; T24-Q27 VanDerWaalsContact O-N 3.1Å; T24-Q27 VanDerWaalsContact OG1-CD 3.26Å; T24-Q27 VanDerWaalsContact OG1-CG 3.24Å; T24-Q27 WeakPolarHBondContact OG1-CG 3.28Å; T24-Q27 PolarHBondContact OG1-N 3.26Å; T24-Q27 PolarHBondContact OG1-OE1 3.13Å; T24-V28 WeakPolarHBondContact O-CG2 3.11Å; T24-V28 PolarHBondContact O-N 3.36Å
25E98.7Very high98.3Very high50 Ų5053.9 Ų53.923%0.23427%0.271CS..Hα-helixtrans-54.1-43.5179-178.4-177.9146.900112.6Q27 V28 R29 Y137 N139 N141 V142 Y145E25-Q27 PolarHBondContact O-N 3.38Å; E25-V28 PolarHBondContact O-N 2.96Å; E25-R29 PolarHBondContact O-N 2.98Å; E25-Y137 HydrophobicContact CB-CD1 4.23Å; E25-N139 PolarHBondContact OE2-ND2 2.79Å; E25-N141 HydrophobicContact CG-CB 4.41Å; E25-N141 VanDerWaalsContact OE1-CB 3.3Å; E25-N141 WeakPolarHBondContact OE1-CB 3.1Å; E25-N141 PolarHBondContact OE1-ND2 2.85Å; E25-V142 HydrophobicContact CB-CG2 4.24Å; E25-V142 HydrophobicContact CG-CG2 3.99Å; E25-Y145 HydrophobicContact CG-CE2 3.86Å
26T98.4Very high98.4Very high103 Ų10349.6 Ų49.663%0.63225%0.25SS*.Hα-helixtrans-64.9-39.5178.7-53.90000112.3T24 T30T24-T26 VanDerWaalsContact C-N 3.29Å; T24-T26 PolarHBondContact O-N 3.14Å; T26-T30 PolarHBondContact O-N 3.33Å; T26-T30 VanDerWaalsContact O-N 3.08Å; T26-T30 PolarHBondContact O-OG1 2.89Å
27Q98.5Very high98.3Very high40 Ų4053 Ų5319%0.18727%0.267CS..Hα-helixtrans-65.8-43.6174.8-72.9167.3-49.100111W13 L23 T24 E25 R29 T30 L31W13-Q27 HydrophobicContact CH2-CB 4.22Å; W13-Q27 HydrophobicContact CH2-CG 4.34Å; W13-Q27 HydrophobicContact CZ2-CB 4.06Å; W13-Q27 HydrophobicContact CZ2-CG 3.71Å; W13-Q27 VanDerWaalsContact NE1-NE2 3.12Å; L23-Q27 HydrophobicContact CB-CB 3.92Å; L23-Q27 HydrophobicContact CD1-CB 4.23Å; T24-Q27 WeakPolarHBondContact O-CB 3.45Å; T24-Q27 PolarHBondContact O-N 2.99Å; T24-Q27 VanDerWaalsContact O-N 3.1Å; T24-Q27 VanDerWaalsContact OG1-CD 3.26Å; T24-Q27 VanDerWaalsContact OG1-CG 3.24Å; T24-Q27 WeakPolarHBondContact OG1-CG 3.28Å; T24-Q27 PolarHBondContact OG1-N 3.26Å; T24-Q27 PolarHBondContact OG1-OE1 3.13Å; E25-Q27 PolarHBondContact O-N 3.38Å; Q27-R29 PolarHBondContact O-N 2.98Å; Q27-T30 PolarHBondContact O-N 3.1Å; Q27-L31 WeakPolarHBondContact O-CB 3.11Å; Q27-L31 PolarHBondContact O-N 2.59Å
28V98.8Very high98.3Very high0 Ų053.5 Ų53.50%027%0.269CS..Hα-helixtrans-59.1-46.4176.11720000111.1L23 T24 E25 T30 L31 C32 V142 Y145 F146L23-V28 HydrophobicContact CB-CG2 4.04Å; T24-V28 WeakPolarHBondContact O-CG2 3.11Å; T24-V28 PolarHBondContact O-N 3.36Å; E25-V28 PolarHBondContact O-N 2.96Å; V28-T30 VanDerWaalsContact C-N 3.32Å; V28-T30 PolarHBondContact O-N 3.22Å; V28-L31 PolarHBondContact O-N 3.21Å; V28-C32 WeakPolarHBondContact O-CB 3.41Å; V28-C32 PolarHBondContact O-N 3.09Å; V28-C32 PolarHBondContact O-SG 3.31Å; V28-V142 HydrophobicContact CB-CG2 4.38Å; V28-V142 HydrophobicContact CG1-CG1 4.05Å; V28-V142 HydrophobicContact CG1-CG2 4.31Å; V28-Y145 HydrophobicContact CG1-CD2 4.37Å; V28-F146 HydrophobicContact CG1-CD2 4.13Å; V28-F146 HydrophobicContact CG1-CE1 4.44Å; V28-F146 HydrophobicContact CG1-CE2 3.5Å; V28-F146 VanDerWaalsContact CG1-CE2 3.5Å; V28-F146 HydrophobicContact CG1-CZ 3.66Å; V28-F146 HydrophobicContact CG2-CE2 4.49Å
29R98.7Very high98.4Very high132 Ų13250.1 Ų50.150%0.49825%0.251SS..Hα-helixtrans-55.3-50175.4-178.7-179.5171.7176.10.1111.3E25 Q27 L31 C32 D33 Y145E25-R29 PolarHBondContact O-N 2.98Å; Q27-R29 PolarHBondContact O-N 2.98Å; R29-L31 VanDerWaalsContact C-N 3.33Å; R29-L31 PolarHBondContact O-N 3.2Å; R29-C32 PolarHBondContact O-N 3.21Å; R29-D33 VanDerWaalsContact O-CG 3.31Å; R29-D33 PolarHBondContact O-N 3.08Å; R29-Y145 HydrophobicContact CB-CD2 3.89Å; R29-Y145 HydrophobicContact CB-CE1 4.43Å; R29-Y145 HydrophobicContact CB-CE2 3.7Å; R29-Y145 HydrophobicContact CB-CG 4.36Å; R29-Y145 HydrophobicContact CG-CD1 4.39Å; R29-Y145 HydrophobicContact CG-CE1 4.1Å; R29-Y145 HydrophobicContact CG-CE2 4.25Å
30T98.2Very high98.4Very high54 Ų5446.9 Ų46.933%0.33124%0.243SC..Hα-helixtrans-63.7-40-178.3-56.70000111.5W13 T26 Q27 V28 K34W13-T30 HydrophobicContact CH2-CG2 4.06Å; T26-T30 PolarHBondContact O-N 3.33Å; T26-T30 VanDerWaalsContact O-N 3.08Å; T26-T30 PolarHBondContact O-OG1 2.89Å; Q27-T30 PolarHBondContact O-N 3.1Å; V28-T30 VanDerWaalsContact C-N 3.32Å; V28-T30 PolarHBondContact O-N 3.22Å; T30-K34 WeakPolarHBondContact O-CG 3.2Å; T30-K34 PolarHBondContact O-N 3.41Å; T30-K34 VanDerWaalsContact O-N 3.15Å
31L98.6Very high98.5Very high0 Ų053.5 Ų53.50%027%0.269CS..Hα-helixtrans-62.5-48175.8179.464.3000111.1L10 W13 L23 Q27 V28 R29 K34 A35 T98 V101 A102 V105L10-L31 HydrophobicContact CD2-CD1 4.07Å; W13-L31 HydrophobicContact CE3-CB 4.46Å; W13-L31 HydrophobicContact CE3-CD1 4.47Å; W13-L31 HydrophobicContact CZ3-CB 3.95Å; W13-L31 HydrophobicContact CZ3-CD1 4.42Å; L23-L31 HydrophobicContact CD1-CD2 4.23Å; Q27-L31 WeakPolarHBondContact O-CB 3.11Å; Q27-L31 PolarHBondContact O-N 2.59Å; V28-L31 PolarHBondContact O-N 3.21Å; R29-L31 VanDerWaalsContact C-N 3.33Å; R29-L31 PolarHBondContact O-N 3.2Å; L31-K34 PolarHBondContact O-N 3.42Å; L31-A35 WeakPolarHBondContact O-CB 3.07Å; L31-A35 PolarHBondContact O-N 3.16Å; L31-T98 HydrophobicContact CD2-CG2 3.73Å; L31-V101 HydrophobicContact CD1-CG1 4.22Å; L31-V101 HydrophobicContact CD2-CB 4.32Å; L31-V101 HydrophobicContact CD2-CG1 4.06Å; L31-V101 HydrophobicContact CG-CG1 3.82Å; L31-A102 HydrophobicContact CD1-CB 4.22Å; L31-A102 HydrophobicContact CD2-CB 4.2Å; L31-V105 HydrophobicContact CD1-CB 4.04Å; L31-V105 HydrophobicContact CD1-CG1 4.48Å; L31-V105 HydrophobicContact CD1-CG2 3.75Å
32C98.8Very high98.5Very high1 Ų150.9 Ų50.91%0.00725%0.254CS..Hα-helixtrans-63.4-42.5179.3-66.70000111.8V28 R29 K34 A35 K36 L149V28-C32 WeakPolarHBondContact O-CB 3.41Å; V28-C32 PolarHBondContact O-N 3.09Å; V28-C32 PolarHBondContact O-SG 3.31Å; R29-C32 PolarHBondContact O-N 3.21Å; C32-K34 PolarHBondContact O-N 2.95Å; C32-A35 PolarHBondContact O-N 2.93Å; C32-K36 WeakPolarHBondContact O-CG 3.14Å; C32-K36 PolarHBondContact O-N 3.47Å; C32-L149 HydrophobicContact CB-CB 4.38Å; C32-L149 HydrophobicContact CB-CD2 4.36Å
33D98.5Very high98.5Very high69 Ų6950.2 Ų50.237%0.36926%0.256SS..Hα-helixtrans-60.9-45.2178.1-70.6-19.9000111.1R29 A35 K36 E37R29-D33 VanDerWaalsContact O-CG 3.31Å; R29-D33 PolarHBondContact O-N 3.08Å; D33-A35 VanDerWaalsContact C-N 3.35Å; D33-A35 PolarHBondContact O-N 2.87Å; D33-K36 PolarHBondContact O-N 2.85Å; D33-E37 PolarHBondContact O-N 2.94Å
34K98.1Very high98.5Very high61 Ų6150.6 Ų50.627%0.26526%0.258SS..Hα-helixtrans-62.9-39.8174.2-71.4176.3-177.2-680112.4T6 T30 L31 C32 E37 I38 V105T6-K34 HydrophobicContact CG2-CD 4.37Å; T6-K34 VanDerWaalsContact CG2-NZ 3.33Å; T30-K34 WeakPolarHBondContact O-CG 3.2Å; T30-K34 PolarHBondContact O-N 3.41Å; T30-K34 VanDerWaalsContact O-N 3.15Å; L31-K34 PolarHBondContact O-N 3.42Å; C32-K34 PolarHBondContact O-N 2.95Å; K34-E37 PolarHBondContact O-N 2.89Å; K34-I38 WeakPolarHBondContact O-CD1 3.3Å; K34-I38 WeakPolarHBondContact O-CG1 3.42Å; K34-I38 PolarHBondContact O-N 2.92Å; K34-V105 HydrophobicContact CB-CG1 3.9Å; K34-V105 HydrophobicContact CB-CG2 4.38Å; K34-V105 HydrophobicContact CD-CG1 4.27Å
35A98.6Very high98.6Very high0 Ų046.9 Ų46.90%024%0.235CC..Hα-helixtrans-65.7-40.5178.500000111.8L31 C32 D33 E37 I38 L39 V101 V105 L149L31-A35 WeakPolarHBondContact O-CB 3.07Å; L31-A35 PolarHBondContact O-N 3.16Å; C32-A35 PolarHBondContact O-N 2.93Å; D33-A35 VanDerWaalsContact C-N 3.35Å; D33-A35 PolarHBondContact O-N 2.87Å; A35-E37 VanDerWaalsContact C-N 3.34Å; A35-E37 PolarHBondContact O-N 2.95Å; A35-I38 PolarHBondContact O-N 3.14Å; A35-I38 VanDerWaalsContact O-N 3.09Å; A35-L39 WeakPolarHBondContact O-CB 3.34Å; A35-L39 WeakPolarHBondContact O-CG 3.21Å; A35-L39 PolarHBondContact O-N 3.29Å; A35-V101 HydrophobicContact CB-CG1 3.63Å; A35-V105 HydrophobicContact CB-CG2 3.64Å; A35-L149 HydrophobicContact CB-CD1 3.52Å; A35-L149 HydrophobicContact CB-CD2 4.03Å; A35-L149 HydrophobicContact CB-CG 4.45Å
36K98.7Very high98.6Very high37 Ų3746.2 Ų46.216%0.16123%0.232CC..Hα-helixtrans-59.6-41.4174.4-71175.6-177.7173.90112.4C32 D33 I38 S40 D148 L149 Y152C32-K36 WeakPolarHBondContact O-CG 3.14Å; C32-K36 PolarHBondContact O-N 3.47Å; D33-K36 PolarHBondContact O-N 2.85Å; K36-I38 PolarHBondContact O-N 3.06Å; K36-S40 WeakPolarHBondContact O-CB 3.42Å; K36-S40 PolarHBondContact O-N 3.18Å; K36-S40 PolarHBondContact O-OG 2.84Å; K36-D148 VanDerWaalsContact CE-C 3.43Å; K36-D148 VanDerWaalsContact CE-O 3.24Å; K36-D148 WeakPolarHBondContact CE-O 3.34Å; K36-D148 VanDerWaalsContact NZ-CB 3.28Å; K36-L149 HydrophobicContact CG-CD1 3.7Å; K36-Y152 HydrophobicContact CB-CD1 4.36Å; K36-Y152 HydrophobicContact CB-CD2 4.42Å; K36-Y152 HydrophobicContact CB-CE1 4.38Å; K36-Y152 HydrophobicContact CB-CE2 4.43Å; K36-Y152 HydrophobicContact CB-CG 4.38Å; K36-Y152 HydrophobicContact CD-CD2 4.17Å; K36-Y152 HydrophobicContact CD-CE2 3.81Å; K36-Y152 HydrophobicContact CG-CD2 3.74Å; K36-Y152 HydrophobicContact CG-CE2 3.85Å; K36-Y152 HydrophobicContact CG-CG 4.1Å
37E98.1Very high98.6Very high126 Ų12646 Ų4659%0.58922%0.223SC*.Hα-helixtrans-62-28.6176-70.3179.9-172.800113.4D33 K34 A35 S40 K41D33-E37 PolarHBondContact O-N 2.94Å; K34-E37 PolarHBondContact O-N 2.89Å; A35-E37 VanDerWaalsContact C-N 3.34Å; A35-E37 PolarHBondContact O-N 2.95Å; E37-S40 PolarHBondContact O-OG 3.12Å; E37-K41 VanDerWaalsContact O-CE 3.29Å; E37-K41 WeakPolarHBondContact O-CE 3.41Å
38I98.5Very high98.6Very high10 Ų1044.8 Ų44.85%0.05122%0.219CC..Hα-helixtrans-82.4-57.2177.5-64.6161.4000109.4K34 A35 K36 S40 K41 V105 R108K34-I38 WeakPolarHBondContact O-CD1 3.3Å; K34-I38 WeakPolarHBondContact O-CG1 3.42Å; K34-I38 PolarHBondContact O-N 2.92Å; A35-I38 PolarHBondContact O-N 3.14Å; A35-I38 VanDerWaalsContact O-N 3.09Å; K36-I38 PolarHBondContact O-N 3.06Å; I38-S40 VanDerWaalsContact C-N 3.27Å; I38-S40 PolarHBondContact O-N 2.69Å; I38-K41 WeakPolarHBondContact O-CB 3.48Å; I38-K41 PolarHBondContact O-N 3.31Å; I38-V105 HydrophobicContact CD1-CB 4.23Å; I38-V105 HydrophobicContact CD1-CG1 4.15Å; I38-V105 HydrophobicContact CD1-CG2 4.15Å; I38-R108 HydrophobicContact CD1-CG 3.95Å; I38-R108 VanDerWaalsContact CD1-NE 3.34Å; I38-R108 HydrophobicContact CG1-CG 4.46Å; I38-R108 HydrophobicContact CG2-CG 4.23Å
39L98.7Very high98.5Very high0 Ų052.6 Ų52.60%025%0.253CS..Hα-helixtrans-64.3-29.4-174.5-65.1175000112.7A35 K41 E42 K104 I113 L149 L153 R185A35-L39 WeakPolarHBondContact O-CB 3.34Å; A35-L39 WeakPolarHBondContact O-CG 3.21Å; A35-L39 PolarHBondContact O-N 3.29Å; L39-K41 PolarHBondContact O-N 3.3Å; L39-K41 VanDerWaalsContact O-N 3.12Å; L39-E42 WeakPolarHBondContact CD2-OE2 3.41Å; L39-E42 WeakPolarHBondContact O-CB 3.24Å; L39-E42 PolarHBondContact O-N 2.82Å; L39-K104 HydrophobicContact CD2-CG 4.43Å; L39-I113 HydrophobicContact CD2-CG1 4.45Å; L39-L149 HydrophobicContact CD1-CD1 3.7Å; L39-L149 HydrophobicContact CD1-CG 4.47Å; L39-L153 HydrophobicContact CD1-CD2 3.87Å; L39-L153 HydrophobicContact CD1-CG 4.49Å; L39-R185 PolarHBondContact O-NH2 3.1Å
40S98.2Very high98.4Very high63 Ų6347.3 Ų47.344%0.44124%0.236SC..THydrogen-bonded Turntrans-61.6-17.7173.855.20000114.4K36 E37 I38K36-S40 WeakPolarHBondContact O-CB 3.42Å; K36-S40 PolarHBondContact O-N 3.18Å; K36-S40 PolarHBondContact O-OG 2.84Å; E37-S40 PolarHBondContact O-OG 3.12Å; I38-S40 VanDerWaalsContact C-N 3.27Å; I38-S40 PolarHBondContact O-N 2.69Å
41K98.4Very high98.4Very high163 Ų16347.2 Ų47.271%0.70924%0.236SC*.THydrogen-bonded Turntrans-94.6-8.5176.8-59.6171.3-173.2164.50112.6E37 I38 L39E37-K41 VanDerWaalsContact O-CE 3.29Å; E37-K41 WeakPolarHBondContact O-CE 3.41Å; I38-K41 WeakPolarHBondContact O-CB 3.48Å; I38-K41 PolarHBondContact O-N 3.31Å; L39-K41 PolarHBondContact O-N 3.3Å; L39-K41 VanDerWaalsContact O-N 3.12Å
42E98.7Very high98.5Very high23 Ų2347.5 Ų47.511%0.10724%0.238CC..SBendtrans-86.4145.2-179.8-69-174.9-173.600110.7L39 K104 P154 R185L39-E42 WeakPolarHBondContact CD2-OE2 3.41Å; L39-E42 WeakPolarHBondContact O-CB 3.24Å; L39-E42 PolarHBondContact O-N 2.82Å; E42-K104 WeakPolarHBondContact OE1-CE 3.47Å; E42-K104 IonicContact OE1-NZ 3.81Å; E42-K104 PolarHBondContact OE1-NZ 3.1Å; E42-K104 IonicContact OE2-NZ 3.15Å; E42-P154 HydrophobicContact CB-CG 3.84Å; E42-P154 WeakPolarHBondContact OE2-CG 3.21Å; E42-R185 VanDerWaalsContact O-CZ 3.29Å; E42-R185 PolarHBondContact O-NH1 3.27Å; E42-R185 PolarHBondContact O-NH2 3.5Å
43S98.7Very high98.5Very high43 Ų4347.7 Ų47.730%0.30124%0.239SC..  trans-78.3157.4-178.2168.80000110.8V45 Q46 P154 R185S43-V45 VanDerWaalsContact CB-O 3.22Å; S43-V45 WeakPolarHBondContact CB-O 3.45Å; S43-V45 PolarHBondContact O-N 2.79Å; S43-V45 PolarHBondContact OG-N 3.22Å; S43-V45 VanDerWaalsContact OG-N 3.11Å; S43-V45 PolarHBondContact OG-O 3.04Å; S43-Q46 VanDerWaalsContact N-OE1 3.13Å; S43-P154 WeakPolarHBondContact O-CB 3.48Å; S43-R185 VanDerWaalsContact C-NH1 3.32Å
44N98.9Very high98.5Very high9 Ų944.4 Ų44.45%0.04822%0.221CC..SBendtrans-62.5-30.6169.7-65.9-10000111.8L155 T156 I180 L183 R185N44-L155 PolarHBondContact O-N 2.77Å; N44-T156 PolarHBondContact O-N 3.28Å; N44-T156 VanDerWaalsContact O-O 3.06Å; N44-T156 PolarHBondContact O-OG1 3.14Å; N44-T156 VanDerWaalsContact O-OG1 3.13Å; N44-I180 HydrophobicContact CB-CG2 4.17Å; N44-I180 WeakPolarHBondContact CB-O 3.28Å; N44-I180 PolarHBondContact ND2-O 3.27Å; N44-L183 PolarHBondContact ND2-O 2.9Å; N44-R185 WeakPolarHBondContact OD1-CD 3.36Å; N44-R185 VanDerWaalsContact OD1-CG 3.26Å; N44-R185 WeakPolarHBondContact OD1-CG 3.32Å; N44-R185 PolarHBondContact OD1-NH1 3.47Å
45V98.9Very high98.5Very high0 Ų041.5 Ų41.50%021%0.209CC..EExtended strand (participates in β ladder)trans-106.688.6167.4-173.50000106.6S43 E47 T156 L158 I180 R181S43-V45 VanDerWaalsContact CB-O 3.22Å; S43-V45 WeakPolarHBondContact CB-O 3.45Å; S43-V45 PolarHBondContact O-N 2.79Å; S43-V45 PolarHBondContact OG-N 3.22Å; S43-V45 VanDerWaalsContact OG-N 3.11Å; S43-V45 PolarHBondContact OG-O 3.04Å; V45-E47 PolarHBondContact O-N 2.91Å; V45-T156 WeakPolarHBondContact CA-OG1 3.48Å; V45-L158 HydrophobicContact CG1-CB 3.86Å; V45-I180 HydrophobicContact CG2-CB 3.66Å; V45-I180 HydrophobicContact CG2-CG2 3.63Å; V45-R181 HydrophobicContact CB-CG 3.99Å; V45-R181 HydrophobicContact CG2-CG 3.7Å
46Q98.8Very high98.5Very high36 Ų3641.5 Ų41.517%0.16821%0.209CC..EExtended strand (participates in β ladder)trans-76.6119-175.2-179.65241.600110.7S43 V48 T112 P154 T156 A157 L158S43-Q46 VanDerWaalsContact N-OE1 3.13Å; Q46-V48 HydrophobicContact CG-CG2 4.49Å; Q46-T112 HydrophobicContact CG-CG2 4.13Å; Q46-P154 HydrophobicContact CB-CB 4.04Å; Q46-P154 HydrophobicContact CB-CG 4.24Å; Q46-T156 PolarHBondContact N-O 2.8Å; Q46-A157 HydrophobicContact CB-CB 4.48Å; Q46-A157 CarbonylContact O-C 3.57Å; Q46-A157 WeakPolarHBondContact O-CA 3.48Å; Q46-A157 WeakPolarHBondContact O-CB 3.29Å; Q46-L158 PolarHBondContact O-N 2.96Å
47E98.6Very high98.5Very high98 Ų9839.8 Ų39.846%0.45820%0.201SC..EExtended strand (participates in β ladder)trans-70132176.3-60.9-67158.200110V45 R181V45-E47 PolarHBondContact O-N 2.91Å; E47-R181 IonicContact OE1-NH2 2.74Å; E47-R181 PolarHBondContact OE1-NH2 3.4Å
48V98.5Very high98.6Very high16 Ų1633.9 Ų33.910%0.09717%0.174CC..EExtended strand (participates in β ladder)trans-132.3141.4178.5179.20000108.4Q46 V52 L81 T112 A157 L158 V159 D160Q46-V48 HydrophobicContact CG-CG2 4.49Å; V48-V52 HydrophobicContact CG1-CB 4.38Å; V48-V52 HydrophobicContact CG1-CG1 4.34Å; V48-V52 HydrophobicContact CG1-CG2 4.16Å; V48-L81 HydrophobicContact CG2-CD1 4.28Å; V48-T112 HydrophobicContact CG2-CG2 4.09Å; V48-T112 WeakPolarHBondContact CG2-OG1 3.37Å; V48-A157 HydrophobicContact CG2-CB 4.03Å; V48-L158 PolarHBondContact N-O 3.05Å; V48-V159 HydrophobicContact CB-CG2 4.25Å; V48-V159 HydrophobicContact CG1-CG2 4.45Å; V48-V159 VanDerWaalsContact O-CA 3.29Å; V48-V159 WeakPolarHBondContact O-CA 3.37Å; V48-D160 PolarHBondContact O-N 2.91Å
49K97.7Very high98.6Very high164 Ų16433.5 Ų33.571%0.71317%0.172SC*.PPolyproline II helixtrans-103.4147.4177.6-65.9-174.4177.6-177.50111.2D160K49-D160 WeakPolarHBondContact CA-OD1 3.39Å
50C97.3Very high98.5Very high20 Ų2033.5 Ų33.514%0.13517%0.172CC..SBendtrans-70.2156.6164.7-74.90000111.6V159 D160 D279 L282C50-V159 WeakPolarHBondContact SG-CG1 3.21Å; C50-D160 VanDerWaalsContact CB-OD2 3.24Å; C50-D160 WeakPolarHBondContact CB-OD2 3.49Å; C50-D160 PolarHBondContact N-OD2 3.5Å; C50-D279 VanDerWaalsContact CB-O 3.3Å; C50-D279 WeakPolarHBondContact CB-O 3.22Å; C50-L282 WeakPolarHBondContact SG-CD2 3.38Å
51P98.2Very high98.5Very high53 Ų5330.6 Ų30.634%0.34415%0.152SC..SBendcis-78.3146.8-2.232.5-31.5000111.4N79 L278 D280P51-N79 WeakPolarHBondContact O-CB 3.12Å; P51-N79 PolarHBondContact O-ND2 3Å; P51-L278 CarbonylContact C-O 3.52Å; P51-L278 WeakPolarHBondContact CA-O 3.47Å; P51-L278 WeakPolarHBondContact CB-O 3.19Å; P51-D280 VanDerWaalsContact CD-OD1 3.23Å; P51-D280 WeakPolarHBondContact CD-OD1 3.32Å; P51-D280 WeakPolarHBondContact CG-OD1 3.43Å
52V98.8Very high98.5Very high5 Ų523 Ų233%0.0312%0.118CC..EExtended strand (participates in β ladder)trans-151.9144.1179.967.20000112.4V48 V54 N79 L81 V159 L278V48-V52 HydrophobicContact CG1-CB 4.38Å; V48-V52 HydrophobicContact CG1-CG1 4.34Å; V48-V52 HydrophobicContact CG1-CG2 4.16Å; V52-V54 HydrophobicContact CG1-CG2 4.46Å; V52-N79 HydrophobicContact CB-CB 4.43Å; V52-N79 HydrophobicContact CG2-CB 4.28Å; V52-L81 HydrophobicContact CG2-CB 3.88Å; V52-V159 HydrophobicContact CG1-CG1 3.82Å; V52-V159 HydrophobicContact CG1-CG2 4.32Å; V52-L278 HydrophobicContact CG1-CB 4.21Å; V52-L278 HydrophobicContact CG1-CD1 3.94Å; V52-L278 PolarHBondContact N-O 3.43Å; V52-L278 WeakPolarHBondContact O-CB 3.47Å; V52-L278 PolarHBondContact O-N 3.09Å
53T98.9Very high98.5Very high5 Ų526.4 Ų26.43%0.03113%0.134CC..EExtended strand (participates in β ladder)trans-100.2114.2174.1-58.20000110T78 N79 Y80 L81 L275 M276 E277T53-T78 WeakPolarHBondContact OG1-CG2 3.5Å; T53-N79 PolarHBondContact N-O 2.86Å; T53-Y80 HydrophobicContact CG2-CD1 3.98Å; T53-Y80 HydrophobicContact CG2-CE1 3.59Å; T53-Y80 CarbonylContact O-C 3.45Å; T53-Y80 WeakPolarHBondContact O-CA 3.39Å; T53-L81 PolarHBondContact O-N 2.76Å; T53-L275 HydrophobicContact CG2-CB 4.07Å; T53-L275 HydrophobicContact CG2-CD1 3.53Å; T53-L275 HydrophobicContact CG2-CD2 4.16Å; T53-L275 HydrophobicContact CG2-CG 4.11Å; T53-M276 CarbonylContact C-O 3.47Å; T53-E277 HydrophobicContact CG2-CG 4.17Å
54V98.9Very high98.5Very high0 Ų024.9 Ų24.90%012%0.123CC..EExtended strand (participates in β ladder)trans-90127.5-179.4-171.30000109.7V52 L81 M83 I259 L275 M276 L278V52-V54 HydrophobicContact CG1-CG2 4.46Å; V54-L81 CarbonylContact C-O 3.47Å; V54-L81 WeakPolarHBondContact CA-O 3.31Å; V54-L81 HydrophobicContact CG1-CD2 4.08Å; V54-M83 HydrophobicContact CG1-CE 3.65Å; V54-M83 HydrophobicContact CG1-CG 4.13Å; V54-M83 HydrophobicContact CG1-SD 3.75Å; V54-I259 HydrophobicContact CB-CD1 4.41Å; V54-I259 HydrophobicContact CG1-CD1 4.17Å; V54-L275 WeakPolarHBondContact O-CA 3.22Å; V54-M276 HydrophobicContact CB-CB 4.32Å; V54-M276 HydrophobicContact CB-CE 3.96Å; V54-M276 HydrophobicContact CG1-CE 4.34Å; V54-M276 HydrophobicContact CG2-CE 3.72Å; V54-M276 PolarHBondContact N-O 2.94Å; V54-M276 PolarHBondContact O-N 3.21Å; V54-L278 HydrophobicContact CG2-CD1 3.95Å; V54-L278 HydrophobicContact CG2-CG 4.46Å
55C98.9Very high98.4Very high0 Ų024.5 Ų24.50%012%0.12CC..EExtended strand (participates in β ladder)trans-123.8142.9-179.1-55.30000110.1L68 L81 F82 M83C55-L68 HydrophobicContact CB-CD1 4.18Å; C55-L81 PolarHBondContact N-O 3.4Å; C55-F82 HydrophobicContact CB-CD1 3.45Å; C55-F82 VanDerWaalsContact CB-CD1 3.45Å; C55-F82 HydrophobicContact CB-CE1 3.54Å; C55-F82 HydrophobicContact CB-CG 4.05Å; C55-F82 HydrophobicContact CB-CZ 4.22Å; C55-F82 WeakPolarHBondContact O-CA 3.13Å; C55-M83 PolarHBondContact O-N 2.79Å
56G98.8Very high98.4Very high0 Ų026.7 Ų26.70%013%0.131CC..  trans-91.4-145.9173.100000112.3I259 S261G56-I259 WeakPolarHBondContact CA-O 3.3Å; G56-S261 PolarHBondContact N-OG 3.29Å
57D98.9Very high98.3Very high1 Ų126.3 Ų26.31%0.00513%0.13CC..  trans-58.3141.2-177.3-51.731.8000111.9H59 D85 H167 A240 H241 F260 S261 A262D57-H59 IonicContact OD2-NE2 3.36Å; D57-D85 HydrophobicContact CB-CB 4.04Å; D57-H167 IonicContact OD1-CE1 3.54Å; D57-H167 PolarHBondContact OD1-CE1 3.12Å; D57-H167 IonicContact OD2-CE1 3.11Å; D57-A240 WeakPolarHBondContact OD1-CB 3.45Å; D57-H241 PolarHBondContact OD1-N 3.13Å; D57-H241 WeakPolarHBondContact OD2-CA 3.49Å; D57-F260 HydrophobicContact CB-CD2 3.89Å; D57-F260 HydrophobicContact CB-CE2 3.59Å; D57-F260 HydrophobicContact CB-CZ 4.08Å; D57-F260 VanDerWaalsContact CG-CE2 3.45Å; D57-F260 WeakPolarHBondContact OD2-CE2 3.17Å; D57-S261 CarbonylContact O-C 3.55Å; D57-S261 WeakPolarHBondContact O-CA 3.26Å; D57-S261 VanDerWaalsContact O-CB 3.3Å; D57-S261 WeakPolarHBondContact O-CB 3.34Å; D57-S261 PolarHBondContact O-N 3.14Å; D57-S261 VanDerWaalsContact O-N 3.15Å; D57-A262 PolarHBondContact O-N 2.91Å
58V98.8Very high98.3Very high2 Ų221.7 Ų21.71%0.01211%0.108CC..  trans-121.6-34178.4-176.50000111.9G60 Q61 L65 F82 D85 T96V58-G60 PolarHBondContact O-N 3.09Å; V58-Q61 WeakPolarHBondContact O-CB 3.44Å; V58-Q61 PolarHBondContact O-N 3.19Å; V58-Q61 VanDerWaalsContact O-N 3.12Å; V58-L65 HydrophobicContact CG1-CB 3.99Å; V58-L65 HydrophobicContact CG1-CD1 4.38Å; V58-F82 HydrophobicContact CG2-CD1 3.98Å; V58-F82 HydrophobicContact CG2-CE1 4.04Å; V58-D85 PolarHBondContact N-O 2.72Å; V58-T96 HydrophobicContact CB-CG2 4.37Å; V58-T96 HydrophobicContact CG1-CG2 3.73Å
59H98.5Very high98.3Very high2 Ų221.5 Ų21.51%0.00911%0.106CC..THydrogen-bonded Turntrans48.452.1170-82.8-58.3000115D57 Q61 D85 V87 D88 R89 G90 H118 Y265D57-H59 IonicContact OD2-NE2 3.36Å; H59-Q61 PolarHBondContact O-N 3.46Å; H59-D85 IonicContact CE1-OD2 3.64Å; H59-D85 PolarHBondContact N-O 3.35Å; H59-D85 IonicContact NE2-OD2 3.68Å; H59-V87 PolarHBondContact ND1-O 3.07Å; H59-D88 CarbonylContact C-O 3.53Å; H59-D88 WeakPolarHBondContact CA-O 3.15Å; H59-D88 WeakPolarHBondContact CB-O 3.1Å; H59-D88 PolarHBondContact ND1-O 3.11Å; H59-D88 VanDerWaalsContact O-O 3.11Å; H59-R89 HydrophobicContact CB-CB 4.3Å; H59-G90 WeakPolarHBondContact O-CA 3.23Å; H59-G90 PolarHBondContact O-N 3.44Å; H59-H118 AromaticContact CE1-CD2 3.49Å; H59-H118 PolarHBondContact CE1-CD2 3.1Å; H59-H118 VanDerWaalsContact CE1-CD2 3.49Å; H59-H118 AromaticContact CE1-CE1 3.9Å; H59-H118 AromaticContact CE1-CG 3.66Å; H59-H118 AromaticContact CE1-ND1 3.91Å; H59-H118 AromaticContact CE1-NE2 3.65Å; H59-Y265 HydrophobicContact CB-CD2 4.46Å; H59-Y265 HydrophobicContact CB-CE2 3.8Å; H59-Y265 AromaticContact CD2-CE2 3.16Å; H59-Y265 WeakPolarHBondContact CD2-CE2 3.24Å; H59-Y265 AromaticContact CD2-CZ 3.62Å; H59-Y265 PolarHBondContact CD2-OH 2.95Å; H59-Y265 AromaticContact CG-CE2 3.61Å; H59-Y265 AromaticContact NE2-CE2 3.76Å; H59-Y265 AromaticContact NE2-CZ 3.7Å; H59-Y265 PolarHBondContact NE2-OH 3.08Å
60G98.3Very high98.3Very high0 Ų021.7 Ų21.70%010%0.102CC..THydrogen-bonded Turntrans60.715.6175.500000115.3V58 F62 Y86 Y92V58-G60 PolarHBondContact O-N 3.09Å; G60-F62 PolarHBondContact O-N 3.38Å; G60-Y86 PolarHBondContact N-O 3.5Å; G60-Y92 CarbonylContact O-C 3.45Å; G60-Y92 WeakPolarHBondContact O-CA 3.23Å; G60-Y92 WeakPolarHBondContact O-CB 3.5Å; G60-Y92 PolarHBondContact O-N 2.86Å; G60-Y92 VanDerWaalsContact O-N 3.13Å
61Q98.1Very high98.3Very high3 Ų323 Ų231%0.01411%0.107CC..  trans-83.965.2175.3-66.7-169.4-167.700110.6V58 H59 H63 D64 L65 P263 Y267V58-Q61 WeakPolarHBondContact O-CB 3.44Å; V58-Q61 PolarHBondContact O-N 3.19Å; V58-Q61 VanDerWaalsContact O-N 3.12Å; H59-Q61 PolarHBondContact O-N 3.46Å; Q61-H63 VanDerWaalsContact C-N 3.3Å; Q61-H63 PolarHBondContact O-N 3.35Å; Q61-D64 HydrophobicContact CB-CB 4.05Å; Q61-D64 WeakPolarHBondContact CB-OD2 3.47Å; Q61-D64 PolarHBondContact NE2-OD2 2.87Å; Q61-D64 WeakPolarHBondContact O-CA 3.35Å; Q61-D64 WeakPolarHBondContact O-CB 3.23Å; Q61-D64 PolarHBondContact O-N 2.88Å; Q61-L65 PolarHBondContact O-N 3.47Å; Q61-P263 PolarHBondContact NE2-O 3.5Å; Q61-Y267 HydrophobicContact CG-CE1 3.93Å
62F98.2Very high98.2Very high3 Ų320.7 Ų20.71%0.0139%0.093CC..Hα-helixtrans-52-42.9-172-178.8-88.4000114.2L17 C20 G60 D64 L65 M66 Y92 E95 T96 L99L17-F62 WeakPolarHBondContact O-CZ 3.48Å; C20-F62 HydrophobicContact CB-CD1 3.82Å; C20-F62 HydrophobicContact CB-CE1 3.56Å; C20-F62 HydrophobicContact CB-CZ 4.19Å; C20-F62 WeakPolarHBondContact SG-CD1 3.4Å; G60-F62 PolarHBondContact O-N 3.38Å; F62-D64 VanDerWaalsContact C-N 3.27Å; F62-D64 PolarHBondContact O-N 3.18Å; F62-L65 WeakPolarHBondContact O-CB 3.36Å; F62-L65 PolarHBondContact O-N 3.32Å; F62-M66 HydrophobicContact CD1-CG 4.15Å; F62-M66 HydrophobicContact CE1-CE 4.22Å; F62-M66 HydrophobicContact CE1-CG 3.63Å; F62-M66 HydrophobicContact CE1-SD 4.05Å; F62-M66 HydrophobicContact CE2-CE 4.02Å; F62-M66 HydrophobicContact CZ-CE 3.75Å; F62-M66 HydrophobicContact CZ-CG 4.1Å; F62-M66 HydrophobicContact CZ-SD 3.91Å; F62-M66 WeakPolarHBondContact O-CG 3.38Å; F62-M66 PolarHBondContact O-N 3.31Å; F62-Y92 VanDerWaalsContact CB-CB 3.49Å; F62-Y92 HydrophobicContact CB-CD2 4.47Å; F62-Y92 HydrophobicContact CB-CG 4.14Å; F62-E95 HydrophobicContact CD2-CB 3.6Å; F62-E95 HydrophobicContact CE2-CB 3.92Å; F62-E95 HydrophobicContact CG-CB 4.25Å; F62-T96 WeakPolarHBondContact CA-OG1 3.31Å; F62-T96 PolarHBondContact N-OG1 2.93Å; F62-L99 HydrophobicContact CE2-CB 4.5Å; F62-L99 HydrophobicContact CE2-CD2 3.86Å; F62-L99 HydrophobicContact CZ-CD2 4.3Å
63H97.8Very high98.2Very high94 Ų9421.7 Ų21.744%0.43510%0.104SC..Hα-helixtrans-66.5-31.7179.4-62.6-56.3000112.6Q61 M66 E67 Y92 A292Q61-H63 VanDerWaalsContact C-N 3.3Å; Q61-H63 PolarHBondContact O-N 3.35Å; H63-M66 WeakPolarHBondContact O-CB 3.2Å; H63-M66 PolarHBondContact O-N 2.9Å; H63-E67 PolarHBondContact O-N 3.02Å; H63-E67 VanDerWaalsContact O-N 3.13Å; H63-Y92 AromaticContact NE2-CE2 3.87Å; H63-A292 HydrophobicContact CB-CB 4.26Å; H63-A292 WeakPolarHBondContact O-CB 3.4Å
64D98.2Very high98.1Very high11 Ų1128.2 Ų28.26%0.05913%0.132CC..Hα-helixtrans-77.8-29.1175.2-55.2-50.6000111.3Q61 F62 M66 E67 L68 P263 P291 A292Q61-D64 HydrophobicContact CB-CB 4.05Å; Q61-D64 WeakPolarHBondContact CB-OD2 3.47Å; Q61-D64 PolarHBondContact NE2-OD2 2.87Å; Q61-D64 WeakPolarHBondContact O-CA 3.35Å; Q61-D64 WeakPolarHBondContact O-CB 3.23Å; Q61-D64 PolarHBondContact O-N 2.88Å; F62-D64 VanDerWaalsContact C-N 3.27Å; F62-D64 PolarHBondContact O-N 3.18Å; D64-M66 VanDerWaalsContact C-N 3.29Å; D64-M66 PolarHBondContact O-N 2.74Å; D64-E67 WeakPolarHBondContact O-CB 3.42Å; D64-E67 PolarHBondContact O-N 2.97Å; D64-L68 PolarHBondContact O-N 3.01Å; D64-P263 HydrophobicContact CB-CG 3.71Å; D64-P291 WeakPolarHBondContact OD1-CA 3.41Å; D64-A292 PolarHBondContact OD1-N 3.37Å
65L98.4Very high98Very high1 Ų129 Ų291%0.00514%0.138CC..Hα-helixtrans-62.2-37.6166.3178.263.4000111.5V58 Q61 F62 E67 L68 F69 F82 T96 L99 L100V58-L65 HydrophobicContact CG1-CB 3.99Å; V58-L65 HydrophobicContact CG1-CD1 4.38Å; Q61-L65 PolarHBondContact O-N 3.47Å; F62-L65 WeakPolarHBondContact O-CB 3.36Å; F62-L65 PolarHBondContact O-N 3.32Å; L65-E67 VanDerWaalsContact C-N 3.31Å; L65-L68 HydrophobicContact CD1-CD1 4.46Å; L65-L68 WeakPolarHBondContact O-CB 3.5Å; L65-L68 PolarHBondContact O-N 2.94Å; L65-F69 HydrophobicContact CD1-CD2 4.47Å; L65-F69 HydrophobicContact CD1-CE1 4.47Å; L65-F69 HydrophobicContact CD1-CE2 3.85Å; L65-F69 HydrophobicContact CD1-CZ 3.84Å; L65-F69 HydrophobicContact CD2-CE2 4.14Å; L65-F69 HydrophobicContact CG-CD2 4.26Å; L65-F69 HydrophobicContact CG-CE2 3.72Å; L65-F69 HydrophobicContact CG-CZ 4.21Å; L65-F69 WeakPolarHBondContact O-CD2 3.44Å; L65-F69 PolarHBondContact O-N 3.26Å; L65-F69 VanDerWaalsContact O-N 3.09Å; L65-F82 HydrophobicContact CD1-CE1 3.85Å; L65-F82 HydrophobicContact CD1-CZ 3.93Å; L65-T96 HydrophobicContact CD2-CG2 4.16Å; L65-L99 HydrophobicContact CD2-CD2 4.25Å; L65-L100 HydrophobicContact CD1-CD2 4.39Å; L65-L100 HydrophobicContact CD2-CD2 4.22Å; L65-L100 HydrophobicContact CD2-CG 4.3Å
66M97.9Very high97.9Very high47 Ų4730.9 Ų30.923%0.23215%0.15CC..Hα-helixtrans-66.5-36.1174.3-64.8-58.998.200111.8F62 H63 D64 F69 R70 L99F62-M66 HydrophobicContact CD1-CG 4.15Å; F62-M66 HydrophobicContact CE1-CE 4.22Å; F62-M66 HydrophobicContact CE1-CG 3.63Å; F62-M66 HydrophobicContact CE1-SD 4.05Å; F62-M66 HydrophobicContact CE2-CE 4.02Å; F62-M66 HydrophobicContact CZ-CE 3.75Å; F62-M66 HydrophobicContact CZ-CG 4.1Å; F62-M66 HydrophobicContact CZ-SD 3.91Å; F62-M66 WeakPolarHBondContact O-CG 3.38Å; F62-M66 PolarHBondContact O-N 3.31Å; H63-M66 WeakPolarHBondContact O-CB 3.2Å; H63-M66 PolarHBondContact O-N 2.9Å; D64-M66 VanDerWaalsContact C-N 3.29Å; D64-M66 PolarHBondContact O-N 2.74Å; M66-F69 HydrophobicContact CE-CD2 3.63Å; M66-F69 HydrophobicContact CE-CE2 3.78Å; M66-F69 PolarHBondContact O-N 3.32Å; M66-R70 PolarHBondContact O-N 3.38Å; M66-L99 HydrophobicContact CE-CD2 3.37Å
67E97.8Very high97.9Very high28 Ų2837.7 Ų37.713%0.13119%0.186CC..Hα-helixtrans-66.3-41173.5-174.463.5-173.400111.7H63 D64 L65 F69 R70 I71 F289 A292H63-E67 PolarHBondContact O-N 3.02Å; H63-E67 VanDerWaalsContact O-N 3.13Å; D64-E67 WeakPolarHBondContact O-CB 3.42Å; D64-E67 PolarHBondContact O-N 2.97Å; L65-E67 VanDerWaalsContact C-N 3.31Å; E67-F69 VanDerWaalsContact C-N 3.33Å; E67-F69 PolarHBondContact O-N 2.85Å; E67-R70 WeakPolarHBondContact O-CA 3.4Å; E67-R70 VanDerWaalsContact O-CB 3.24Å; E67-R70 WeakPolarHBondContact O-CB 3.44Å; E67-R70 PolarHBondContact O-N 3.36Å; E67-R70 IonicContact OE1-CZ 3.46Å; E67-R70 VanDerWaalsContact OE1-CZ 3.23Å; E67-R70 IonicContact OE1-NE 2.7Å; E67-R70 PolarHBondContact OE1-NE 2.74Å; E67-R70 IonicContact OE1-NH2 3.72Å; E67-R70 PolarHBondContact OE1-NH2 2.97Å; E67-R70 WeakPolarHBondContact OE2-CD 3.19Å; E67-R70 IonicContact OE2-CZ 2.93Å; E67-R70 IonicContact OE2-NE 2.79Å; E67-R70 PolarHBondContact OE2-NE 2.8Å; E67-R70 IonicContact OE2-NH2 3.77Å; E67-I71 HydrophobicContact CG-CD1 4.09Å; E67-I71 WeakPolarHBondContact O-CG1 3.46Å; E67-I71 PolarHBondContact O-N 2.8Å; E67-F289 HydrophobicContact CG-CD2 4.06Å; E67-A292 HydrophobicContact CB-CB 4.02Å
68L98.4Very high97.8Very high1 Ų139.2 Ų39.21%0.00520%0.196CC..Hα-helixtrans-54.7-48172.1-177.2161.2000111.2C55 D64 L65 R70 I71 G72 Y80 F82 L275 F289C55-L68 HydrophobicContact CB-CD1 4.18Å; D64-L68 PolarHBondContact O-N 3.01Å; L65-L68 HydrophobicContact CD1-CD1 4.46Å; L65-L68 WeakPolarHBondContact O-CB 3.5Å; L65-L68 PolarHBondContact O-N 2.94Å; L68-R70 VanDerWaalsContact C-N 3.3Å; L68-R70 PolarHBondContact O-N 2.86Å; L68-I71 PolarHBondContact O-N 2.69Å; L68-I71 VanDerWaalsContact O-N 3.11Å; L68-G72 PolarHBondContact O-N 3.24Å; L68-Y80 HydrophobicContact CD2-CD1 4.4Å; L68-Y80 HydrophobicContact CD2-CE1 3.6Å; L68-F82 HydrophobicContact CD1-CE1 4.1Å; L68-F82 HydrophobicContact CD2-CE1 4.47Å; L68-F82 HydrophobicContact CD2-CZ 4.14Å; L68-L275 HydrophobicContact CD2-CD2 4.37Å; L68-L275 HydrophobicContact CG-CD2 4.03Å; L68-F289 HydrophobicContact CB-CE2 4.49Å; L68-F289 HydrophobicContact CB-CZ 4.02Å; L68-F289 HydrophobicContact CD1-CZ 4.32Å; L68-F289 HydrophobicContact CG-CZ 4.41Å
69F98Very high97.8Very high12 Ų1240.6 Ų40.65%0.05320%0.203CC..Hα-helixtrans-67.8-26.3175.6-66.8-43.3000113.9L65 M66 E67 I71 G73 Y80 F82 L99 L100 L103L65-F69 HydrophobicContact CD1-CD2 4.47Å; L65-F69 HydrophobicContact CD1-CE1 4.47Å; L65-F69 HydrophobicContact CD1-CE2 3.85Å; L65-F69 HydrophobicContact CD1-CZ 3.84Å; L65-F69 HydrophobicContact CD2-CE2 4.14Å; L65-F69 HydrophobicContact CG-CD2 4.26Å; L65-F69 HydrophobicContact CG-CE2 3.72Å; L65-F69 HydrophobicContact CG-CZ 4.21Å; L65-F69 WeakPolarHBondContact O-CD2 3.44Å; L65-F69 PolarHBondContact O-N 3.26Å; L65-F69 VanDerWaalsContact O-N 3.09Å; M66-F69 HydrophobicContact CE-CD2 3.63Å; M66-F69 HydrophobicContact CE-CE2 3.78Å; M66-F69 PolarHBondContact O-N 3.32Å; E67-F69 VanDerWaalsContact C-N 3.33Å; E67-F69 PolarHBondContact O-N 2.85Å; F69-I71 PolarHBondContact O-N 2.9Å; F69-G73 CarbonylContact O-C 3.17Å; F69-G73 VanDerWaalsContact O-CA 3.24Å; F69-G73 WeakPolarHBondContact O-CA 3.3Å; F69-G73 PolarHBondContact O-N 2.85Å; F69-G73 VanDerWaalsContact O-N 3.1Å; F69-Y80 HydrophobicContact CD1-CE1 4.47Å; F69-Y80 AromaticContact CD1-CE2 3.9Å; F69-Y80 HydrophobicContact CD1-CE2 3.9Å; F69-Y80 AromaticContact CD1-CZ 3.81Å; F69-Y80 HydrophobicContact CE1-CD2 4.25Å; F69-Y80 HydrophobicContact CE1-CE1 4.47Å; F69-Y80 AromaticContact CE1-CE2 3.96Å; F69-Y80 HydrophobicContact CE1-CE2 3.96Å; F69-F82 HydrophobicContact CE1-CE2 4.46Å; F69-F82 HydrophobicContact CE1-CZ 4.09Å; F69-F82 HydrophobicContact CZ-CZ 4.27Å; F69-L99 HydrophobicContact CE2-CD2 4.14Å; F69-L100 HydrophobicContact CZ-CD2 4.35Å; F69-L103 HydrophobicContact CE2-CD1 4.42Å; F69-L103 HydrophobicContact CZ-CD1 3.94Å
70R97.1Very high97.9Very high167 Ų16740.6 Ų40.663%0.6320%0.203SC*.Hα-helixtrans-66.8-31172.3-165.5-171.169.472.2-1.1111.3M66 E67 L68M66-R70 PolarHBondContact O-N 3.38Å; E67-R70 WeakPolarHBondContact O-CA 3.4Å; E67-R70 VanDerWaalsContact O-CB 3.24Å; E67-R70 WeakPolarHBondContact O-CB 3.44Å; E67-R70 PolarHBondContact O-N 3.36Å; E67-R70 IonicContact OE1-CZ 3.46Å; E67-R70 VanDerWaalsContact OE1-CZ 3.23Å; E67-R70 IonicContact OE1-NE 2.7Å; E67-R70 PolarHBondContact OE1-NE 2.74Å; E67-R70 IonicContact OE1-NH2 3.72Å; E67-R70 PolarHBondContact OE1-NH2 2.97Å; E67-R70 WeakPolarHBondContact OE2-CD 3.19Å; E67-R70 IonicContact OE2-CZ 2.93Å; E67-R70 IonicContact OE2-NE 2.79Å; E67-R70 PolarHBondContact OE2-NE 2.8Å; E67-R70 IonicContact OE2-NH2 3.77Å; L68-R70 VanDerWaalsContact C-N 3.3Å; L68-R70 PolarHBondContact O-N 2.86Å
71I96.7Very high97.9Very high48 Ų4840.6 Ų40.625%0.24620%0.203CC..Hα-helixtrans-91.9-52.9-174-65.2173.8000111.4E67 L68 F69 G73 L275 L287 F289E67-I71 HydrophobicContact CG-CD1 4.09Å; E67-I71 WeakPolarHBondContact O-CG1 3.46Å; E67-I71 PolarHBondContact O-N 2.8Å; L68-I71 PolarHBondContact O-N 2.69Å; L68-I71 VanDerWaalsContact O-N 3.11Å; F69-I71 PolarHBondContact O-N 2.9Å; I71-G73 VanDerWaalsContact C-N 3.34Å; I71-L275 HydrophobicContact CG2-CD2 4.36Å; I71-L287 HydrophobicContact CG2-CB 3.89Å; I71-L287 HydrophobicContact CG2-CD1 3.78Å; I71-L287 HydrophobicContact CG2-CG 4.47Å; I71-F289 HydrophobicContact CD1-CB 3.15Å; I71-F289 HydrophobicContact CD1-CD1 4.27Å; I71-F289 HydrophobicContact CD1-CD2 4.28Å; I71-F289 HydrophobicContact CD1-CG 3.71Å
72G97.8Very high97.9Very high5 Ų540.4 Ų40.45%0.05220%0.202CC..Hα-helixtrans-82.2-8.6179.500000114.4L68 T78 Y80L68-G72 PolarHBondContact O-N 3.24Å; G72-T78 WeakPolarHBondContact O-CB 3.49Å; G72-T78 VanDerWaalsContact O-CG2 3.3Å; G72-T78 WeakPolarHBondContact O-CG2 3.26Å; G72-T78 PolarHBondContact O-OG1 2.87Å; G72-Y80 WeakPolarHBondContact CA-OH 3.49Å; G72-Y80 PolarHBondContact O-OH 2.79Å
73G98Very high98Very high25 Ų2540.3 Ų40.326%0.25820%0.202SC..  trans90.9162.6-174.200000113F69 I71 Y80F69-G73 CarbonylContact O-C 3.17Å; F69-G73 VanDerWaalsContact O-CA 3.24Å; F69-G73 WeakPolarHBondContact O-CA 3.3Å; F69-G73 PolarHBondContact O-N 2.85Å; F69-G73 VanDerWaalsContact O-N 3.1Å; I71-G73 VanDerWaalsContact C-N 3.34Å; G73-Y80 VanDerWaalsContact O-CE2 3.3Å; G73-Y80 WeakPolarHBondContact O-CE2 3.48Å; G73-Y80 PolarHBondContact O-OH 3.11Å
74K97.2Very high98Very high143 Ų14335.8 Ų35.862%0.62218%0.181SC*.  trans-86.7143.5-174.2-65.9-175.4177.9-173.90111.3D77 T78K74-D77 WeakPolarHBondContact O-CA 3.29Å; K74-D77 WeakPolarHBondContact O-CB 3.36Å; K74-D77 PolarHBondContact O-N 3.24Å; K74-T78 PolarHBondContact O-N 2.82Å
75S95.8Very high98.1Very high17 Ų1735.4 Ų35.412%0.11918%0.179CC..THydrogen-bonded Turntrans-67.7140.5161.7173.50000109.5
76P97.7Very high98.1Very high38 Ų3835.5 Ų35.525%0.24718%0.179CC..THydrogen-bonded Turncis-91.677.237.4-37000115.4Y107 R110P76-Y107 HydrophobicContact CB-CD1 3.72Å; P76-Y107 HydrophobicContact CB-CD2 4.22Å; P76-Y107 HydrophobicContact CB-CE1 3.98Å; P76-Y107 HydrophobicContact CB-CE2 4.44Å; P76-Y107 HydrophobicContact CB-CG 3.86Å; P76-Y107 HydrophobicContact CG-CD1 3.99Å; P76-Y107 HydrophobicContact CG-CE1 3.7Å; P76-Y107 HydrophobicContact CG-CE2 4.38Å; P76-Y107 HydrophobicContact CG-CG 4.46Å; P76-R110 HydrophobicContact CB-CB 4.34Å; P76-R110 HydrophobicContact CB-CG 3.85Å
77D98Very high98.1Very high143 Ų14333.2 Ų33.277%0.76517%0.168SC*.THydrogen-bonded Turntrans-69.9-37.2-176.5-58.1-37000111.7K74K74-D77 WeakPolarHBondContact O-CA 3.29Å; K74-D77 WeakPolarHBondContact O-CB 3.36Å; K74-D77 PolarHBondContact O-N 3.24Å
78T98.3Very high98.1Very high34 Ų3431.9 Ų31.921%0.20916%0.162CC..SBendtrans-105.5135.8168.7-55.10000110.5T53 G72 K74 Y80T53-T78 WeakPolarHBondContact OG1-CG2 3.5Å; G72-T78 WeakPolarHBondContact O-CB 3.49Å; G72-T78 VanDerWaalsContact O-CG2 3.3Å; G72-T78 WeakPolarHBondContact O-CG2 3.26Å; G72-T78 PolarHBondContact O-OG1 2.87Å; K74-T78 PolarHBondContact O-N 2.82Å; T78-Y80 HydrophobicContact CG2-CD2 4.4Å; T78-Y80 HydrophobicContact CG2-CE2 3.92Å; T78-Y80 WeakPolarHBondContact O-CD2 3.42Å
79N98.7Very high98Very high31 Ų3133.7 Ų33.717%0.16617%0.168CC..  trans-81.4142172.8-56.4-45000110.6P51 V52 T53 R110P51-N79 WeakPolarHBondContact O-CB 3.12Å; P51-N79 PolarHBondContact O-ND2 3Å; V52-N79 HydrophobicContact CB-CB 4.43Å; V52-N79 HydrophobicContact CG2-CB 4.28Å; T53-N79 PolarHBondContact N-O 2.86Å; N79-R110 CarbonylContact C-O 3.49Å; N79-R110 VanDerWaalsContact CA-O 3.22Å; N79-R110 WeakPolarHBondContact CA-O 3.46Å; N79-R110 WeakPolarHBondContact OD1-CD 3.16Å; N79-R110 PolarHBondContact OD1-NH1 3.44Å
80Y98.9Very high97.9Very high1 Ų133.2 Ų33.20%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-126.1148.1-177.6-79.6-82.4000113.7T53 L68 F69 G72 G73 T78 F82 R110 I111 T112T53-Y80 HydrophobicContact CG2-CD1 3.98Å; T53-Y80 HydrophobicContact CG2-CE1 3.59Å; T53-Y80 CarbonylContact O-C 3.45Å; T53-Y80 WeakPolarHBondContact O-CA 3.39Å; L68-Y80 HydrophobicContact CD2-CD1 4.4Å; L68-Y80 HydrophobicContact CD2-CE1 3.6Å; F69-Y80 HydrophobicContact CD1-CE1 4.47Å; F69-Y80 AromaticContact CD1-CE2 3.9Å; F69-Y80 HydrophobicContact CD1-CE2 3.9Å; F69-Y80 AromaticContact CD1-CZ 3.81Å; F69-Y80 HydrophobicContact CE1-CD2 4.25Å; F69-Y80 HydrophobicContact CE1-CE1 4.47Å; F69-Y80 AromaticContact CE1-CE2 3.96Å; F69-Y80 HydrophobicContact CE1-CE2 3.96Å; G72-Y80 WeakPolarHBondContact CA-OH 3.49Å; G72-Y80 PolarHBondContact O-OH 2.79Å; G73-Y80 VanDerWaalsContact O-CE2 3.3Å; G73-Y80 WeakPolarHBondContact O-CE2 3.48Å; G73-Y80 PolarHBondContact O-OH 3.11Å; T78-Y80 HydrophobicContact CG2-CD2 4.4Å; T78-Y80 HydrophobicContact CG2-CE2 3.92Å; T78-Y80 WeakPolarHBondContact O-CD2 3.42Å; Y80-F82 AromaticContact CD1-CE2 3.86Å; Y80-F82 HydrophobicContact CD1-CE2 3.86Å; Y80-F82 HydrophobicContact CD1-CZ 4.07Å; Y80-F82 AromaticContact CG-CE2 3.87Å; Y80-F82 HydrophobicContact CG-CE2 3.87Å; Y80-F82 HydrophobicContact CG-CZ 4.45Å; Y80-R110 PolarHBondContact N-O 3.18Å; Y80-I111 CarbonylContact O-C 3.52Å; Y80-I111 VanDerWaalsContact O-CA 3.28Å; Y80-I111 WeakPolarHBondContact O-CA 3.23Å; Y80-T112 PolarHBondContact O-N 3.27Å
81L98.9Very high97.8Very high0 Ų028.4 Ų28.40%015%0.149CC..EExtended strand (participates in β ladder)trans-130.1110.9167.6-175.5170.9000108V48 V52 T53 V54 C55 M83 T112 L114 A157 V159 C165V48-L81 HydrophobicContact CG2-CD1 4.28Å; V52-L81 HydrophobicContact CG2-CB 3.88Å; T53-L81 PolarHBondContact O-N 2.76Å; V54-L81 CarbonylContact C-O 3.47Å; V54-L81 WeakPolarHBondContact CA-O 3.31Å; V54-L81 HydrophobicContact CG1-CD2 4.08Å; C55-L81 PolarHBondContact N-O 3.4Å; L81-M83 HydrophobicContact CD2-CG 3.57Å; L81-T112 WeakPolarHBondContact CA-O 3.46Å; L81-T112 HydrophobicContact CG-CG2 4.44Å; L81-L114 HydrophobicContact CD2-CD1 3.99Å; L81-L114 HydrophobicContact CD2-CG 4.38Å; L81-A157 HydrophobicContact CD1-CB 3.78Å; L81-A157 HydrophobicContact CG-CB 4.44Å; L81-V159 HydrophobicContact CD1-CG2 3.78Å; L81-C165 HydrophobicContact CD1-CB 4Å; L81-C165 HydrophobicContact CD2-CB 4.03Å
82F98.9Very high97.9Very high0 Ų029.2 Ų29.20%015%0.15CC..EExtended strand (participates in β ladder)trans-101.2126.5176.1-71.9-96000110.9C55 V58 L65 L68 F69 Y80 G84 Y86 L100 I111 T112 I113 L114C55-F82 HydrophobicContact CB-CD1 3.45Å; C55-F82 VanDerWaalsContact CB-CD1 3.45Å; C55-F82 HydrophobicContact CB-CE1 3.54Å; C55-F82 HydrophobicContact CB-CG 4.05Å; C55-F82 HydrophobicContact CB-CZ 4.22Å; C55-F82 WeakPolarHBondContact O-CA 3.13Å; V58-F82 HydrophobicContact CG2-CD1 3.98Å; V58-F82 HydrophobicContact CG2-CE1 4.04Å; L65-F82 HydrophobicContact CD1-CE1 3.85Å; L65-F82 HydrophobicContact CD1-CZ 3.93Å; L68-F82 HydrophobicContact CD1-CE1 4.1Å; L68-F82 HydrophobicContact CD2-CE1 4.47Å; L68-F82 HydrophobicContact CD2-CZ 4.14Å; F69-F82 HydrophobicContact CE1-CE2 4.46Å; F69-F82 HydrophobicContact CE1-CZ 4.09Å; F69-F82 HydrophobicContact CZ-CZ 4.27Å; Y80-F82 AromaticContact CD1-CE2 3.86Å; Y80-F82 HydrophobicContact CD1-CE2 3.86Å; Y80-F82 HydrophobicContact CD1-CZ 4.07Å; Y80-F82 AromaticContact CG-CE2 3.87Å; Y80-F82 HydrophobicContact CG-CE2 3.87Å; Y80-F82 HydrophobicContact CG-CZ 4.45Å; F82-G84 PolarHBondContact O-N 2.7Å; F82-Y86 HydrophobicContact CB-CE1 3.7Å; F82-Y86 PolarHBondContact O-OH 2.83Å; F82-L100 HydrophobicContact CD2-CD2 4.09Å; F82-L100 HydrophobicContact CE1-CD2 4.25Å; F82-L100 HydrophobicContact CE2-CD2 3.78Å; F82-L100 HydrophobicContact CG-CD2 4.46Å; F82-L100 HydrophobicContact CZ-CD2 3.88Å; F82-I111 HydrophobicContact CD2-CD1 3.9Å; F82-I111 HydrophobicContact CD2-CG1 4.12Å; F82-I111 HydrophobicContact CE2-CD1 3.82Å; F82-I111 HydrophobicContact CE2-CG1 4.36Å; F82-T112 PolarHBondContact N-O 3.01Å; F82-I113 HydrophobicContact CB-CG2 4.44Å; F82-L114 PolarHBondContact O-N 2.77Å
83M98.9Very high97.9Very high0 Ų029 Ų290%015%0.147CC..  trans-84.9-1.6-169.1-66.9-174.3-71.500115.5V54 C55 L81 L114 C165 H167 A240 I259V54-M83 HydrophobicContact CG1-CE 3.65Å; V54-M83 HydrophobicContact CG1-CG 4.13Å; V54-M83 HydrophobicContact CG1-SD 3.75Å; C55-M83 PolarHBondContact O-N 2.79Å; L81-M83 HydrophobicContact CD2-CG 3.57Å; M83-L114 HydrophobicContact CG-CD1 4.4Å; M83-C165 HydrophobicContact CG-CB 4.49Å; M83-C165 HydrophobicContact SD-CB 4.18Å; M83-H167 WeakPolarHBondContact O-CA 3.45Å; M83-H167 WeakPolarHBondContact O-CB 3.09Å; M83-H167 PolarHBondContact O-ND1 3.2Å; M83-A240 HydrophobicContact CB-CB 3.98Å; M83-A240 HydrophobicContact CE-CB 3.98Å; M83-I259 HydrophobicContact CE-CB 3.97Å; M83-I259 HydrophobicContact CE-CD1 4.08Å; M83-I259 HydrophobicContact CE-CG1 4.46Å
84G98.8Very high98Very high0 Ų027.8 Ų27.80%014%0.135CC..SBendtrans130.2-171.4176.700000112.3F82F82-G84 PolarHBondContact O-N 2.7Å
85D98.8Very high98Very high2 Ų221.2 Ų21.21%0.01111%0.107CC..  trans53.160177-74.27.4000112.2D57 V58 H59 G116 N117 H118 E119 H167D57-D85 HydrophobicContact CB-CB 4.04Å; V58-D85 PolarHBondContact N-O 2.72Å; H59-D85 IonicContact CE1-OD2 3.64Å; H59-D85 PolarHBondContact N-O 3.35Å; H59-D85 IonicContact NE2-OD2 3.68Å; D85-G116 WeakPolarHBondContact OD1-CA 3.39Å; D85-N117 PolarHBondContact OD1-N 3.34Å; D85-N117 VanDerWaalsContact OD1-N 3.09Å; D85-N117 PolarHBondContact OD1-OD1 2.99Å; D85-N117 PolarHBondContact OD2-OD1 3Å; D85-H118 HydrophobicContact CB-CB 4.46Å; D85-H118 VanDerWaalsContact OD1-CB 3.31Å; D85-H118 WeakPolarHBondContact OD1-CB 3.25Å; D85-H118 IonicContact OD1-CD2 2.66Å; D85-H118 IonicContact OD1-CG 2.79Å; D85-H118 PolarHBondContact OD1-N 2.94Å; D85-H118 IonicContact OD2-CD2 2.83Å; D85-H118 PolarHBondContact OD2-CD2 3.36Å; D85-H118 VanDerWaalsContact OD2-CD2 3.29Å; D85-E119 PolarHBondContact N-OE2 3.29Å; D85-H167 IonicContact OD1-CD2 3.64Å; D85-H167 IonicContact OD1-CE1 3.01Å; D85-H167 IonicContact OD1-NE2 2.65Å; D85-H167 PolarHBondContact OD1-NE2 2.8Å; D85-H167 VanDerWaalsContact OD1-NE2 3.11Å; D85-H167 IonicContact OD2-CE1 3.85Å; D85-H167 PolarHBondContact OD2-CE1 3.03Å; D85-H167 IonicContact OD2-NE2 3.78Å; D85-H167 PolarHBondContact OD2-NE2 3.27Å
86Y98.9Very high98.2Very high3 Ų320.4 Ų20.41%0.01210%0.101CC..  trans-81.5-33178.4-48.3-42.5000111.8G60 F82 T96 V97 L100 I113 L114 E119 L153G60-Y86 PolarHBondContact N-O 3.5Å; F82-Y86 HydrophobicContact CB-CE1 3.7Å; F82-Y86 PolarHBondContact O-OH 2.83Å; Y86-T96 VanDerWaalsContact O-CG2 3.29Å; Y86-T96 WeakPolarHBondContact O-CG2 3.49Å; Y86-V97 HydrophobicContact CD2-CG2 4.33Å; Y86-L100 HydrophobicContact CD1-CD1 3.6Å; Y86-L100 HydrophobicContact CE1-CD1 4.12Å; Y86-L100 HydrophobicContact CG-CD1 3.96Å; Y86-I113 HydrophobicContact CE2-CB 4.21Å; Y86-I113 VanDerWaalsContact OH-C 3.23Å; Y86-I113 WeakPolarHBondContact OH-CA 3.34Å; Y86-I113 VanDerWaalsContact OH-CB 3.24Å; Y86-I113 WeakPolarHBondContact OH-CB 3.26Å; Y86-L114 WeakPolarHBondContact CE2-O 3.41Å; Y86-L114 VanDerWaalsContact CZ-O 3.25Å; Y86-L114 PolarHBondContact OH-N 3.36Å; Y86-L114 PolarHBondContact OH-O 2.8Å; Y86-E119 HydrophobicContact CD2-CG 3.97Å; Y86-E119 HydrophobicContact CE2-CG 4.37Å; Y86-E119 PolarHBondContact N-OE1 3.19Å; Y86-L153 HydrophobicContact CE2-CD1 4.23Å
87V98.8Very high98.2Very high0 Ų018.7 Ų18.70%09%0.089CC..SBendtrans-110-179.1-172.5-58.40000111.7H59 V97 H118 E119 T124 F129 F150H59-V87 PolarHBondContact ND1-O 3.07Å; V87-V97 HydrophobicContact CG1-CB 3.68Å; V87-V97 HydrophobicContact CG1-CG1 3.89Å; V87-V97 HydrophobicContact CG1-CG2 4.04Å; V87-H118 HydrophobicContact CG2-CB 4.45Å; V87-E119 PolarHBondContact N-OE1 2.89Å; V87-T124 HydrophobicContact CG2-CG2 3.77Å; V87-F129 HydrophobicContact CB-CB 4Å; V87-F129 HydrophobicContact CB-CD1 4.28Å; V87-F129 HydrophobicContact CB-CD2 3.81Å; V87-F129 HydrophobicContact CB-CE2 4.29Å; V87-F129 HydrophobicContact CB-CG 3.78Å; V87-F129 HydrophobicContact CG1-CD1 4.29Å; V87-F129 HydrophobicContact CG1-CD2 3.76Å; V87-F129 HydrophobicContact CG1-CE1 4.26Å; V87-F129 HydrophobicContact CG1-CE2 3.7Å; V87-F129 HydrophobicContact CG1-CG 4.04Å; V87-F129 HydrophobicContact CG1-CZ 3.96Å; V87-F129 HydrophobicContact CG2-CB 4.18Å; V87-F129 HydrophobicContact CG2-CD1 4.23Å; V87-F129 HydrophobicContact CG2-CG 4.1Å; V87-F150 HydrophobicContact CG1-CZ 4.11Å; V87-F150 HydrophobicContact CG2-CE2 4.39Å; V87-F150 HydrophobicContact CG2-CZ 4.42Å
88D98.3Very high98.3Very high0 Ų011.9 Ų11.90%05%0.053CC..SBendtrans64.4163.4-177-69.2-32.4000114H59 G90 S93 H118 T124 Y127 G128 F129H59-D88 CarbonylContact C-O 3.53Å; H59-D88 WeakPolarHBondContact CA-O 3.15Å; H59-D88 WeakPolarHBondContact CB-O 3.1Å; H59-D88 PolarHBondContact ND1-O 3.11Å; H59-D88 VanDerWaalsContact O-O 3.11Å; D88-G90 PolarHBondContact O-N 3.36Å; D88-S93 PolarHBondContact N-OG 2.77Å; D88-S93 VanDerWaalsContact N-OG 3.13Å; D88-H118 VanDerWaalsContact CB-ND1 3.26Å; D88-H118 WeakPolarHBondContact CB-ND1 3.46Å; D88-H118 IonicContact OD2-CE1 3.96Å; D88-H118 IonicContact OD2-CG 3.79Å; D88-H118 IonicContact OD2-ND1 2.83Å; D88-H118 PolarHBondContact OD2-ND1 3.36Å; D88-T124 WeakPolarHBondContact OD1-CA 3.41Å; D88-T124 WeakPolarHBondContact OD2-CA 3.43Å; D88-Y127 WeakPolarHBondContact CB-O 3.37Å; D88-G128 PolarHBondContact OD1-N 2.85Å; D88-F129 WeakPolarHBondContact OD1-CB 3.24Å; D88-F129 PolarHBondContact OD1-N 3.36Å
89R95.7Very high98.3Very high39 Ų3910.2 Ų10.215%0.1474%0.043CC..SBendtrans64.5-67.6-175.9-45.1-64.6-171.31505112.1H59 Y127 Y265 Y307 F308H59-R89 HydrophobicContact CB-CB 4.3Å; R89-Y127 PolarHBondContact N-O 2.96Å; R89-Y265 HydrophobicContact CB-CE2 4.27Å; R89-Y265 HydrophobicContact CG-CE2 4.1Å; R89-Y265 WeakPolarHBondContact CG-OH 3.49Å; R89-Y307 PolarHBondContact NH1-O 3.06Å; R89-Y307 WeakPolarHBondContact O-CE2 3.43Å; R89-F308 VanDerWaalsContact C-CE1 3.47Å; R89-F308 WeakPolarHBondContact O-CE1 3.45Å; R89-F308 WeakPolarHBondContact O-CZ 3.49Å
90G95.4Very high98.3Very high2 Ų28.8 Ų8.82%0.0214%0.035CC..SBendtrans-62.1165.8-176.400000115.1H59 D88 Y267H59-G90 WeakPolarHBondContact O-CA 3.23Å; H59-G90 PolarHBondContact O-N 3.44Å; D88-G90 PolarHBondContact O-N 3.36Å; G90-Y267 WeakPolarHBondContact CA-OH 3.45Å
91Y95.7Very high98.3Very high65 Ų659 Ų926%0.2554%0.036SC..THydrogen-bonded Turntrans-81.3-13.6-178.6-66.6-64.2000115Y267 P305 F308Y91-Y267 HydrophobicContact CD2-CD2 4.06Å; Y91-Y267 AromaticContact CD2-CE2 3.22Å; Y91-Y267 HydrophobicContact CD2-CE2 3.22Å; Y91-Y267 AromaticContact CD2-CZ 3.57Å; Y91-Y267 AromaticContact CE2-CD2 3.55Å; Y91-Y267 HydrophobicContact CE2-CD2 3.55Å; Y91-Y267 AromaticContact CE2-CE2 3.2Å; Y91-Y267 HydrophobicContact CE2-CE2 3.2Å; Y91-Y267 AromaticContact CE2-CZ 3.96Å; Y91-Y267 HydrophobicContact CG-CE2 4.14Å; Y91-Y267 PolarHBondContact N-OH 2.78Å; Y91-Y267 VanDerWaalsContact N-OH 3.08Å; Y91-P305 HydrophobicContact CE1-CG 4.47Å; Y91-F308 HydrophobicContact CD1-CE2 4.42Å; Y91-F308 HydrophobicContact CD1-CZ 4.23Å; Y91-F308 AromaticContact CE1-CE2 3.62Å; Y91-F308 HydrophobicContact CE1-CE2 3.62Å; Y91-F308 AromaticContact CE1-CZ 3.78Å; Y91-F308 HydrophobicContact CE1-CZ 3.78Å; Y91-F308 HydrophobicContact CE2-CE2 4.45Å; Y91-F308 HydrophobicContact CE2-CZ 4.08Å; Y91-F308 AromaticContact CZ-CE2 3.63Å; Y91-F308 AromaticContact CZ-CZ 3.69Å
92Y97.9Very high98.3Very high65 Ų659 Ų926%0.2554%0.036SC..THydrogen-bonded Turntrans-12936.2-169.1-57.8-81.2000112G60 F62 H63 V94 E95 T96 E132G60-Y92 CarbonylContact O-C 3.45Å; G60-Y92 WeakPolarHBondContact O-CA 3.23Å; G60-Y92 WeakPolarHBondContact O-CB 3.5Å; G60-Y92 PolarHBondContact O-N 2.86Å; G60-Y92 VanDerWaalsContact O-N 3.13Å; F62-Y92 VanDerWaalsContact CB-CB 3.49Å; F62-Y92 HydrophobicContact CB-CD2 4.47Å; F62-Y92 HydrophobicContact CB-CG 4.14Å; H63-Y92 AromaticContact NE2-CE2 3.87Å; Y92-V94 PolarHBondContact O-N 2.88Å; Y92-E95 VanDerWaalsContact CA-OE2 3.24Å; Y92-E95 WeakPolarHBondContact CA-OE2 3.33Å; Y92-E95 WeakPolarHBondContact CB-OE2 3.42Å; Y92-E95 PolarHBondContact O-N 3.45Å; Y92-T96 WeakPolarHBondContact O-CB 3.19Å; Y92-T96 PolarHBondContact O-N 3.5Å; Y92-T96 PolarHBondContact O-OG1 3.44Å; Y92-T96 VanDerWaalsContact O-OG1 3.1Å; Y92-E132 WeakPolarHBondContact CA-OE1 3.36Å
93S98.7Very high98.3Very high0 Ų09.3 Ų9.30%04%0.038CC..Hα-helixtrans-56.7-38.4176.6-55.80000111.9D88 T96 V97 E132D88-S93 PolarHBondContact N-OG 2.77Å; D88-S93 VanDerWaalsContact N-OG 3.13Å; S93-T96 PolarHBondContact O-N 2.99Å; S93-V97 VanDerWaalsContact O-CG1 3.28Å; S93-V97 WeakPolarHBondContact O-CG1 3.47Å; S93-V97 PolarHBondContact O-N 3.13Å; S93-E132 WeakPolarHBondContact CB-OE2 3.49Å; S93-E132 VanDerWaalsContact N-CD 3.3Å; S93-E132 PolarHBondContact N-OE1 3.33Å; S93-E132 PolarHBondContact N-OE2 2.87Å; S93-E132 PolarHBondContact OG-OE2 2.86Å; S93-E132 VanDerWaalsContact OG-OE2 3.1Å
94V98.8Very high98.3Very high0 Ų09.5 Ų9.50%04%0.039CC..Hα-helixtrans-59.7-53.8176.9166.60000110.6Q22 Y92 T96 T98 F129 E132 K136 Y137Q22-V94 HydrophobicContact CB-CG1 4.07Å; Y92-V94 PolarHBondContact O-N 2.88Å; V94-T96 VanDerWaalsContact C-N 3.34Å; V94-T96 PolarHBondContact O-N 2.89Å; V94-T98 WeakPolarHBondContact O-CB 3.44Å; V94-T98 PolarHBondContact O-N 3.4Å; V94-T98 PolarHBondContact O-OG1 3.01Å; V94-F129 HydrophobicContact CG2-CE2 4.03Å; V94-E132 WeakPolarHBondContact CB-OE1 3.1Å; V94-E132 HydrophobicContact CG2-CG 3.96Å; V94-E132 WeakPolarHBondContact CG2-OE1 3.23Å; V94-E132 PolarHBondContact N-OE1 2.86Å; V94-K136 HydrophobicContact CB-CD 3.93Å; V94-K136 HydrophobicContact CG1-CD 4.23Å; V94-K136 HydrophobicContact CG2-CD 3.92Å; V94-Y137 HydrophobicContact CG1-CE2 3.72Å; V94-Y137 WeakPolarHBondContact CG1-OH 3.35Å; V94-Y137 HydrophobicContact CG2-CE2 4.21Å
95E98.8Very high98.2Very high6 Ų69.6 Ų9.63%0.0284%0.04CC..Hα-helixtrans-65.9-40.7-178.5-63.181.1-17900110.7Q22 F62 Y92 L99 K136Q22-E95 HydrophobicContact CB-CG 4.46Å; F62-E95 HydrophobicContact CD2-CB 3.6Å; F62-E95 HydrophobicContact CE2-CB 3.92Å; F62-E95 HydrophobicContact CG-CB 4.25Å; Y92-E95 VanDerWaalsContact CA-OE2 3.24Å; Y92-E95 WeakPolarHBondContact CA-OE2 3.33Å; Y92-E95 WeakPolarHBondContact CB-OE2 3.42Å; Y92-E95 PolarHBondContact O-N 3.45Å; E95-L99 VanDerWaalsContact O-CB 3.26Å; E95-L99 WeakPolarHBondContact O-CB 3.21Å; E95-L99 PolarHBondContact O-N 3.27Å; E95-K136 VanDerWaalsContact OE1-CE 3.28Å; E95-K136 WeakPolarHBondContact OE1-CE 3.11Å; E95-K136 IonicContact OE1-NZ 3.32Å; E95-K136 PolarHBondContact OE1-NZ 2.92Å; E95-K136 IonicContact OE2-NZ 2.76Å; E95-K136 PolarHBondContact OE2-NZ 3.02Å
96T98.8Very high98.2Very high0 Ų012.4 Ų12.40%05%0.05CC..Hα-helixtrans-57.9-58.1177.8-70.20000111.6V58 F62 L65 Y86 Y92 S93 V94 T98 L99 L100V58-T96 HydrophobicContact CB-CG2 4.37Å; V58-T96 HydrophobicContact CG1-CG2 3.73Å; F62-T96 WeakPolarHBondContact CA-OG1 3.31Å; F62-T96 PolarHBondContact N-OG1 2.93Å; L65-T96 HydrophobicContact CD2-CG2 4.16Å; Y86-T96 VanDerWaalsContact O-CG2 3.29Å; Y86-T96 WeakPolarHBondContact O-CG2 3.49Å; Y92-T96 WeakPolarHBondContact O-CB 3.19Å; Y92-T96 PolarHBondContact O-N 3.5Å; Y92-T96 PolarHBondContact O-OG1 3.44Å; Y92-T96 VanDerWaalsContact O-OG1 3.1Å; S93-T96 PolarHBondContact O-N 2.99Å; V94-T96 VanDerWaalsContact C-N 3.34Å; V94-T96 PolarHBondContact O-N 2.89Å; T96-T98 VanDerWaalsContact C-N 3.35Å; T96-T98 PolarHBondContact O-N 3.22Å; T96-L99 PolarHBondContact O-N 2.87Å; T96-L100 HydrophobicContact CG2-CD1 4.37Å; T96-L100 WeakPolarHBondContact O-CG 3.19Å; T96-L100 PolarHBondContact O-N 2.93Å; T96-L100 VanDerWaalsContact O-N 3.1Å
97V98.9Very high98.1Very high1 Ų114.4 Ų14.41%0.0066%0.058CC..Hα-helixtrans-68.9-36-177.175.30000111.6Y86 V87 S93 L99 L100 V101 F129 F146 F150Y86-V97 HydrophobicContact CD2-CG2 4.33Å; V87-V97 HydrophobicContact CG1-CB 3.68Å; V87-V97 HydrophobicContact CG1-CG1 3.89Å; V87-V97 HydrophobicContact CG1-CG2 4.04Å; S93-V97 VanDerWaalsContact O-CG1 3.28Å; S93-V97 WeakPolarHBondContact O-CG1 3.47Å; S93-V97 PolarHBondContact O-N 3.13Å; V97-L99 VanDerWaalsContact C-N 3.33Å; V97-L99 PolarHBondContact O-N 2.91Å; V97-L100 PolarHBondContact O-N 3.19Å; V97-V101 HydrophobicContact CG2-CG2 4.3Å; V97-V101 WeakPolarHBondContact O-CB 3.46Å; V97-V101 VanDerWaalsContact O-CG2 3.24Å; V97-V101 WeakPolarHBondContact O-CG2 3.23Å; V97-V101 PolarHBondContact O-N 3.28Å; V97-F129 HydrophobicContact CG1-CE2 4.04Å; V97-F129 HydrophobicContact CG1-CZ 3.98Å; V97-F146 HydrophobicContact CG1-CD1 4.04Å; V97-F146 HydrophobicContact CG1-CD2 4.32Å; V97-F146 HydrophobicContact CG1-CE1 3.85Å; V97-F146 HydrophobicContact CG1-CE2 4.11Å; V97-F146 HydrophobicContact CG1-CG 4.3Å; V97-F146 HydrophobicContact CG1-CZ 3.89Å; V97-F146 HydrophobicContact CG2-CD1 4.35Å; V97-F146 HydrophobicContact CG2-CE1 4.44Å; V97-F150 HydrophobicContact CG2-CE1 3.85Å; V97-F150 HydrophobicContact CG2-CZ 4.17Å
98T98.9Very high98Very high0 Ų018.9 Ų18.90%08%0.075CC..Hα-helixtrans-63.7-40.7177.4-520000110.8L17 L23 L31 V94 T96 A102 F146L17-T98 HydrophobicContact CD1-CG2 3.75Å; L17-T98 HydrophobicContact CD2-CG2 3.74Å; L17-T98 HydrophobicContact CG-CG2 4.38Å; L23-T98 HydrophobicContact CB-CG2 4.35Å; L23-T98 HydrophobicContact CD1-CG2 3.6Å; L23-T98 HydrophobicContact CG-CG2 3.81Å; L31-T98 HydrophobicContact CD2-CG2 3.73Å; V94-T98 WeakPolarHBondContact O-CB 3.44Å; V94-T98 PolarHBondContact O-N 3.4Å; V94-T98 PolarHBondContact O-OG1 3.01Å; T96-T98 VanDerWaalsContact C-N 3.35Å; T96-T98 PolarHBondContact O-N 3.22Å; T98-A102 WeakPolarHBondContact O-CB 3.39Å; T98-A102 PolarHBondContact O-N 2.8Å; T98-F146 HydrophobicContact CG2-CZ 4.42Å; T98-F146 VanDerWaalsContact OG1-CZ 3.27Å; T98-F146 WeakPolarHBondContact OG1-CZ 3.39Å
99L98.9Very high98Very high0 Ų027 Ų270%011%0.113CC..Hα-helixtrans-65.1-49.2177178.760.1000112I14 L17 F62 L65 M66 F69 E95 T96 V97 V101 A102 L103I14-L99 HydrophobicContact CG2-CD1 4.24Å; L17-L99 HydrophobicContact CB-CB 4.25Å; L17-L99 HydrophobicContact CB-CD1 3.94Å; F62-L99 HydrophobicContact CE2-CB 4.5Å; F62-L99 HydrophobicContact CE2-CD2 3.86Å; F62-L99 HydrophobicContact CZ-CD2 4.3Å; L65-L99 HydrophobicContact CD2-CD2 4.25Å; M66-L99 HydrophobicContact CE-CD2 3.37Å; F69-L99 HydrophobicContact CE2-CD2 4.14Å; E95-L99 VanDerWaalsContact O-CB 3.26Å; E95-L99 WeakPolarHBondContact O-CB 3.21Å; E95-L99 PolarHBondContact O-N 3.27Å; T96-L99 PolarHBondContact O-N 2.87Å; V97-L99 VanDerWaalsContact C-N 3.33Å; V97-L99 PolarHBondContact O-N 2.91Å; L99-V101 VanDerWaalsContact C-N 3.32Å; L99-V101 PolarHBondContact O-N 3.35Å; L99-A102 PolarHBondContact O-N 3.11Å; L99-L103 HydrophobicContact CD1-CD1 4.22Å; L99-L103 HydrophobicContact CD1-CG 4.19Å; L99-L103 HydrophobicContact CG-CD1 4.13Å; L99-L103 WeakPolarHBondContact O-CG 3.47Å; L99-L103 PolarHBondContact O-N 3.36Å
100L98.9Very high98.1Very high1 Ų130.7 Ų30.71%0.00513%0.127CC..Hα-helixtrans-61.2-41.7179.9-67.1177.3000111.7L65 F69 F82 Y86 T96 V97 L103 K104 I111 I113L65-L100 HydrophobicContact CD1-CD2 4.39Å; L65-L100 HydrophobicContact CD2-CD2 4.22Å; L65-L100 HydrophobicContact CD2-CG 4.3Å; F69-L100 HydrophobicContact CZ-CD2 4.35Å; F82-L100 HydrophobicContact CD2-CD2 4.09Å; F82-L100 HydrophobicContact CE1-CD2 4.25Å; F82-L100 HydrophobicContact CE2-CD2 3.78Å; F82-L100 HydrophobicContact CG-CD2 4.46Å; F82-L100 HydrophobicContact CZ-CD2 3.88Å; Y86-L100 HydrophobicContact CD1-CD1 3.6Å; Y86-L100 HydrophobicContact CE1-CD1 4.12Å; Y86-L100 HydrophobicContact CG-CD1 3.96Å; T96-L100 HydrophobicContact CG2-CD1 4.37Å; T96-L100 WeakPolarHBondContact O-CG 3.19Å; T96-L100 PolarHBondContact O-N 2.93Å; T96-L100 VanDerWaalsContact O-N 3.1Å; V97-L100 PolarHBondContact O-N 3.19Å; L100-L103 PolarHBondContact O-N 3.14Å; L100-K104 PolarHBondContact O-N 3.09Å; L100-I111 HydrophobicContact CD2-CD1 4.06Å; L100-I113 HydrophobicContact CB-CG2 4.38Å
101V98.8Very high98.3Very high4 Ų430.6 Ų30.62%0.02413%0.126CC..Hα-helixtrans-67.8-40.3175.3176.30000111.3L31 A35 V97 L99 L103 K104 V105 I113 L149L31-V101 HydrophobicContact CD1-CG1 4.22Å; L31-V101 HydrophobicContact CD2-CB 4.32Å; L31-V101 HydrophobicContact CD2-CG1 4.06Å; L31-V101 HydrophobicContact CG-CG1 3.82Å; A35-V101 HydrophobicContact CB-CG1 3.63Å; V97-V101 HydrophobicContact CG2-CG2 4.3Å; V97-V101 WeakPolarHBondContact O-CB 3.46Å; V97-V101 VanDerWaalsContact O-CG2 3.24Å; V97-V101 WeakPolarHBondContact O-CG2 3.23Å; V97-V101 PolarHBondContact O-N 3.28Å; L99-V101 VanDerWaalsContact C-N 3.32Å; L99-V101 PolarHBondContact O-N 3.35Å; V101-L103 VanDerWaalsContact C-N 3.34Å; V101-L103 PolarHBondContact O-N 2.78Å; V101-K104 WeakPolarHBondContact O-CB 3.26Å; V101-K104 PolarHBondContact O-N 2.89Å; V101-K104 VanDerWaalsContact O-N 3.16Å; V101-V105 HydrophobicContact CG1-CG2 4.32Å; V101-V105 WeakPolarHBondContact O-CG2 3.33Å; V101-V105 PolarHBondContact O-N 3.12Å; V101-I113 HydrophobicContact CG2-CD1 4.19Å; V101-L149 HydrophobicContact CB-CD2 4.46Å; V101-L149 HydrophobicContact CG1-CD2 3.78Å; V101-L149 HydrophobicContact CG2-CD2 3.78Å
102A98.7Very high98.4Very high0 Ų028.1 Ų28.10%012%0.118CC..Hα-helixtrans-60.5-43.9175.400000111.9I14 L17 L31 T98 L99 V105 R106I14-A102 HydrophobicContact CG1-CB 3.79Å; L17-A102 HydrophobicContact CD1-CB 3.89Å; L31-A102 HydrophobicContact CD1-CB 4.22Å; L31-A102 HydrophobicContact CD2-CB 4.2Å; T98-A102 WeakPolarHBondContact O-CB 3.39Å; T98-A102 PolarHBondContact O-N 2.8Å; L99-A102 PolarHBondContact O-N 3.11Å; A102-V105 PolarHBondContact O-N 2.93Å; A102-R106 WeakPolarHBondContact O-CB 3.29Å; A102-R106 PolarHBondContact O-N 3.13Å
103L98.6Very high98.5Very high8 Ų825.1 Ų25.14%0.04211%0.106CC..Hα-helixtrans-60.9-42.8172.7-69.2170.4000111.3I14 F69 L99 L100 V101 R106 Y107 I111I14-L103 HydrophobicContact CD1-CD2 4.18Å; I14-L103 HydrophobicContact CG2-CD2 4.24Å; F69-L103 HydrophobicContact CE2-CD1 4.42Å; F69-L103 HydrophobicContact CZ-CD1 3.94Å; L99-L103 HydrophobicContact CD1-CD1 4.22Å; L99-L103 HydrophobicContact CD1-CG 4.19Å; L99-L103 HydrophobicContact CG-CD1 4.13Å; L99-L103 WeakPolarHBondContact O-CG 3.47Å; L99-L103 PolarHBondContact O-N 3.36Å; L100-L103 PolarHBondContact O-N 3.14Å; V101-L103 VanDerWaalsContact C-N 3.34Å; V101-L103 PolarHBondContact O-N 2.78Å; L103-R106 PolarHBondContact O-N 3.49Å; L103-Y107 HydrophobicContact CD2-CD2 3.92Å; L103-Y107 HydrophobicContact CD2-CE2 3.91Å; L103-Y107 WeakPolarHBondContact O-CA 3.42Å; L103-Y107 PolarHBondContact O-N 2.81Å; L103-I111 HydrophobicContact CB-CD1 4.12Å; L103-I111 HydrophobicContact CB-CG2 4.17Å; L103-I111 HydrophobicContact CD1-CD1 4.35Å
104K98.5Very high98.5Very high3 Ų325.1 Ų25.11%0.01311%0.106CC..Hα-helixtrans-61.5-45.9176.3179.661.8179.4178.20112.5L39 E42 L100 V101 R106 R108 I111 I113L39-K104 HydrophobicContact CD2-CG 4.43Å; E42-K104 WeakPolarHBondContact OE1-CE 3.47Å; E42-K104 IonicContact OE1-NZ 3.81Å; E42-K104 PolarHBondContact OE1-NZ 3.1Å; E42-K104 IonicContact OE2-NZ 3.15Å; L100-K104 PolarHBondContact O-N 3.09Å; V101-K104 WeakPolarHBondContact O-CB 3.26Å; V101-K104 PolarHBondContact O-N 2.89Å; V101-K104 VanDerWaalsContact O-N 3.16Å; K104-R106 VanDerWaalsContact C-N 3.3Å; K104-R106 PolarHBondContact O-N 2.82Å; K104-R108 PolarHBondContact NZ-O 3.06Å; K104-R108 WeakPolarHBondContact O-CA 3.2Å; K104-R108 WeakPolarHBondContact O-CG 3.46Å; K104-R108 PolarHBondContact O-N 3Å; K104-I111 HydrophobicContact CB-CG2 3.98Å; K104-I111 HydrophobicContact CD-CG2 4.13Å; K104-I111 WeakPolarHBondContact CD-O 3.05Å; K104-I111 PolarHBondContact NZ-O 2.93Å; K104-I113 HydrophobicContact CB-CD1 3.87Å; K104-I113 HydrophobicContact CB-CG1 4.32Å; K104-I113 HydrophobicContact CD-CG1 4.35Å; K104-I113 HydrophobicContact CG-CD1 3.94Å; K104-I113 HydrophobicContact CG-CG1 4.1Å
105V98.3Very high98.5Very high3 Ų325.1 Ų25.12%0.01811%0.106CC..Hα-helixtrans-64.9-39.8179.3175.70000110.7L10 L31 K34 A35 I38 V101 A102L10-V105 HydrophobicContact CD1-CG1 3.75Å; L10-V105 HydrophobicContact CD2-CB 4.42Å; L10-V105 HydrophobicContact CD2-CG1 3.97Å; L31-V105 HydrophobicContact CD1-CB 4.04Å; L31-V105 HydrophobicContact CD1-CG1 4.48Å; L31-V105 HydrophobicContact CD1-CG2 3.75Å; K34-V105 HydrophobicContact CB-CG1 3.9Å; K34-V105 HydrophobicContact CB-CG2 4.38Å; K34-V105 HydrophobicContact CD-CG1 4.27Å; A35-V105 HydrophobicContact CB-CG2 3.64Å; I38-V105 HydrophobicContact CD1-CB 4.23Å; I38-V105 HydrophobicContact CD1-CG1 4.15Å; I38-V105 HydrophobicContact CD1-CG2 4.15Å; V101-V105 HydrophobicContact CG1-CG2 4.32Å; V101-V105 WeakPolarHBondContact O-CG2 3.33Å; V101-V105 PolarHBondContact O-N 3.12Å; A102-V105 PolarHBondContact O-N 2.93Å
106R97.8Very high98.5Very high60 Ų6024.8 Ų24.823%0.22610%0.104CC..Hα-helixtrans-80.2-37.6-174.9179.256.5-174.883.52.5114.3L10 D11 I14 A102 L103 K104L10-R106 HydrophobicContact CB-CB 4.39Å; L10-R106 HydrophobicContact CD1-CB 4.48Å; D11-R106 IonicContact OD1-CZ 2.77Å; D11-R106 IonicContact OD1-NE 2.77Å; D11-R106 PolarHBondContact OD1-NE 3.29Å; D11-R106 IonicContact OD1-NH2 3.37Å; D11-R106 PolarHBondContact OD1-NH2 2.75Å; D11-R106 IonicContact OD2-NE 3.36Å; D11-R106 IonicContact OD2-NH2 3.56Å; I14-R106 HydrophobicContact CD1-CB 3.64Å; I14-R106 HydrophobicContact CD1-CG 3.7Å; A102-R106 WeakPolarHBondContact O-CB 3.29Å; A102-R106 PolarHBondContact O-N 3.13Å; L103-R106 PolarHBondContact O-N 3.49Å; K104-R106 VanDerWaalsContact C-N 3.3Å; K104-R106 PolarHBondContact O-N 2.82Å
107Y97.7Very high98.5Very high46 Ų4625 Ų2518%0.1811%0.105CC..SBendtrans-130.360.5-173.3-50.5-65.2000110I14 P76 L103 E109 R110 I111I14-Y107 HydrophobicContact CD1-CE2 4.14Å; P76-Y107 HydrophobicContact CB-CD1 3.72Å; P76-Y107 HydrophobicContact CB-CD2 4.22Å; P76-Y107 HydrophobicContact CB-CE1 3.98Å; P76-Y107 HydrophobicContact CB-CE2 4.44Å; P76-Y107 HydrophobicContact CB-CG 3.86Å; P76-Y107 HydrophobicContact CG-CD1 3.99Å; P76-Y107 HydrophobicContact CG-CE1 3.7Å; P76-Y107 HydrophobicContact CG-CE2 4.38Å; P76-Y107 HydrophobicContact CG-CG 4.46Å; L103-Y107 HydrophobicContact CD2-CD2 3.92Å; L103-Y107 HydrophobicContact CD2-CE2 3.91Å; L103-Y107 WeakPolarHBondContact O-CA 3.42Å; L103-Y107 PolarHBondContact O-N 2.81Å; Y107-E109 PolarHBondContact O-N 2.82Å; Y107-R110 WeakPolarHBondContact O-CA 3.28Å; Y107-R110 WeakPolarHBondContact O-CB 3.41Å; Y107-R110 PolarHBondContact O-N 3.15Å; Y107-I111 PolarHBondContact O-N 3.07Å
108R96.9Very high98.5Very high93 Ų9325.3 Ų25.335%0.35111%0.107SC..THydrogen-bonded Turntrans-49.1-37.9-169-56.7-179.9-167.4-174.42.3115.4E2 I38 K104E2-R108 IonicContact OE1-CZ 3.04Å; E2-R108 IonicContact OE1-NE 3.77Å; E2-R108 IonicContact OE1-NH2 3.92Å; E2-R108 PolarHBondContact OE1-NH2 2.96Å; I38-R108 HydrophobicContact CD1-CG 3.95Å; I38-R108 VanDerWaalsContact CD1-NE 3.34Å; I38-R108 HydrophobicContact CG1-CG 4.46Å; I38-R108 HydrophobicContact CG2-CG 4.23Å; K104-R108 PolarHBondContact NZ-O 3.06Å; K104-R108 WeakPolarHBondContact O-CA 3.2Å; K104-R108 WeakPolarHBondContact O-CG 3.46Å; K104-R108 PolarHBondContact O-N 3Å
109E97Very high98.5Very high172 Ų17225.3 Ų25.380%0.80411%0.107SC*.THydrogen-bonded Turntrans-91.5-2.6-178.4-54-57.2142.600113.6Y107Y107-E109 PolarHBondContact O-N 2.82Å
110R98.3Very high98.5Very high116 Ų11625.6 Ų25.644%0.43811%0.109SC..THydrogen-bonded Turntrans-103.8-16.5-176.6-56.4-63.9-174.5173.53.8113P76 N79 Y80 Y107P76-R110 HydrophobicContact CB-CB 4.34Å; P76-R110 HydrophobicContact CB-CG 3.85Å; N79-R110 CarbonylContact C-O 3.49Å; N79-R110 VanDerWaalsContact CA-O 3.22Å; N79-R110 WeakPolarHBondContact CA-O 3.46Å; N79-R110 WeakPolarHBondContact OD1-CD 3.16Å; N79-R110 PolarHBondContact OD1-NH1 3.44Å; Y80-R110 PolarHBondContact N-O 3.18Å; Y107-R110 WeakPolarHBondContact O-CA 3.28Å; Y107-R110 WeakPolarHBondContact O-CB 3.41Å; Y107-R110 PolarHBondContact O-N 3.15Å
111I98.7Very high98.4Very high0 Ų028.1 Ų28.10%012%0.118CC..EExtended strand (participates in β ladder)trans-140.2131.5178.8-170.5170.2000110.5Y80 F82 L100 L103 K104 Y107 I113Y80-I111 CarbonylContact O-C 3.52Å; Y80-I111 VanDerWaalsContact O-CA 3.28Å; Y80-I111 WeakPolarHBondContact O-CA 3.23Å; F82-I111 HydrophobicContact CD2-CD1 3.9Å; F82-I111 HydrophobicContact CD2-CG1 4.12Å; F82-I111 HydrophobicContact CE2-CD1 3.82Å; F82-I111 HydrophobicContact CE2-CG1 4.36Å; L100-I111 HydrophobicContact CD2-CD1 4.06Å; L103-I111 HydrophobicContact CB-CD1 4.12Å; L103-I111 HydrophobicContact CB-CG2 4.17Å; L103-I111 HydrophobicContact CD1-CD1 4.35Å; K104-I111 HydrophobicContact CB-CG2 3.98Å; K104-I111 HydrophobicContact CD-CG2 4.13Å; K104-I111 WeakPolarHBondContact CD-O 3.05Å; K104-I111 PolarHBondContact NZ-O 2.93Å; Y107-I111 PolarHBondContact O-N 3.07Å; I111-I113 HydrophobicContact CD1-CG2 4.38Å; I111-I113 HydrophobicContact CG1-CG2 4.27Å
112T98.9Very high98.4Very high13 Ų1332.2 Ų32.28%0.0814%0.137CC..EExtended strand (participates in β ladder)trans-110.4131.8170.2-58.60000108.3Q46 V48 Y80 L81 F82 L114Q46-T112 HydrophobicContact CG-CG2 4.13Å; V48-T112 HydrophobicContact CG2-CG2 4.09Å; V48-T112 WeakPolarHBondContact CG2-OG1 3.37Å; Y80-T112 PolarHBondContact O-N 3.27Å; L81-T112 WeakPolarHBondContact CA-O 3.46Å; L81-T112 HydrophobicContact CG-CG2 4.44Å; F82-T112 PolarHBondContact N-O 3.01Å; T112-L114 HydrophobicContact CG2-CD2 3.87Å
113I98.9Very high98.4Very high1 Ų133.4 Ų33.41%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-122.6114.1177.849.4173.5000108.1L39 F82 Y86 L100 V101 K104 I111 L153L39-I113 HydrophobicContact CD2-CG1 4.45Å; F82-I113 HydrophobicContact CB-CG2 4.44Å; Y86-I113 HydrophobicContact CE2-CB 4.21Å; Y86-I113 VanDerWaalsContact OH-C 3.23Å; Y86-I113 WeakPolarHBondContact OH-CA 3.34Å; Y86-I113 VanDerWaalsContact OH-CB 3.24Å; Y86-I113 WeakPolarHBondContact OH-CB 3.26Å; L100-I113 HydrophobicContact CB-CG2 4.38Å; V101-I113 HydrophobicContact CG2-CD1 4.19Å; K104-I113 HydrophobicContact CB-CD1 3.87Å; K104-I113 HydrophobicContact CB-CG1 4.32Å; K104-I113 HydrophobicContact CD-CG1 4.35Å; K104-I113 HydrophobicContact CG-CD1 3.94Å; K104-I113 HydrophobicContact CG-CG1 4.1Å; I111-I113 HydrophobicContact CD1-CG2 4.38Å; I111-I113 HydrophobicContact CG1-CG2 4.27Å; I113-L153 HydrophobicContact CB-CD2 4.22Å; I113-L153 HydrophobicContact CD1-CD2 3.74Å; I113-L153 HydrophobicContact CG1-CD2 3.73Å
114L99Very high98.3Very high0 Ų033 Ų330%014%0.141CC..  trans-91.8164177.3-54.5-174.5000111.7L81 F82 M83 Y86 T112 P154 A157 C165L81-L114 HydrophobicContact CD2-CD1 3.99Å; L81-L114 HydrophobicContact CD2-CG 4.38Å; F82-L114 PolarHBondContact O-N 2.77Å; M83-L114 HydrophobicContact CG-CD1 4.4Å; Y86-L114 WeakPolarHBondContact CE2-O 3.41Å; Y86-L114 VanDerWaalsContact CZ-O 3.25Å; Y86-L114 PolarHBondContact OH-N 3.36Å; Y86-L114 PolarHBondContact OH-O 2.8Å; T112-L114 HydrophobicContact CG2-CD2 3.87Å; L114-P154 CarbonylContact C-O 3.5Å; L114-P154 WeakPolarHBondContact CA-O 3.3Å; L114-P154 HydrophobicContact CD2-CB 3.9Å; L114-A157 HydrophobicContact CD1-CB 4.05Å; L114-A157 HydrophobicContact CD2-CB 4.01Å; L114-C165 HydrophobicContact CD1-CB 4.38Å
115R98.9Very high98.3Very high0 Ų037.8 Ų37.80%016%0.163CC..  trans-80.3130.2175.1-157.5171.8-174.1169.65.8110E119 F150 D151 L153 P154 L155 H167 R185 Q187 L199R115-E119 HydrophobicContact CG-CB 3.86Å; R115-E119 PolarHBondContact NE-O 3.44Å; R115-E119 PolarHBondContact NH2-O 2.85Å; R115-E119 VanDerWaalsContact NH2-O 3.07Å; R115-F150 WeakPolarHBondContact CD-O 3.42Å; R115-F150 PolarHBondContact NE-O 3.16Å; R115-D151 IonicContact CZ-OD1 2.82Å; R115-D151 IonicContact NH1-OD1 3.79Å; R115-D151 IonicContact NH2-OD1 3.04Å; R115-D151 PolarHBondContact NH2-OD1 2.96Å; R115-L153 HydrophobicContact CB-CB 3.76Å; R115-L153 HydrophobicContact CB-CD1 4.39Å; R115-L153 HydrophobicContact CG-CB 4.16Å; R115-L153 HydrophobicContact CG-CD1 4.26Å; R115-P154 PolarHBondContact N-O 3.36Å; R115-L155 HydrophobicContact CB-CD2 4.41Å; R115-H167 WeakPolarHBondContact O-CB 3.35Å; R115-R185 PolarHBondContact NH1-O 2.93Å; R115-Q187 PolarHBondContact NH1-O 2.8Å; R115-L199 HydrophobicContact CB-CD2 4.33Å; R115-L199 HydrophobicContact CG-CD1 4.3Å; R115-L199 WeakPolarHBondContact O-CD2 3.43Å
116G98.9Very high98.2Very high0 Ų041.8 Ų41.80%019%0.188CC..  trans-95.1177163.200000112.3D85 H118 E119 H167D85-G116 WeakPolarHBondContact OD1-CA 3.39Å; G116-H118 PolarHBondContact O-N 2.93Å; G116-E119 WeakPolarHBondContact CA-OE2 3.22Å; G116-E119 PolarHBondContact N-OE2 2.84Å; G116-E119 PolarHBondContact O-N 3.47Å; G116-H167 VanDerWaalsContact CA-CD2 3.47Å; G116-H167 WeakPolarHBondContact CA-CD2 3.47Å; G116-H167 VanDerWaalsContact CA-CG 3.5Å
117N98.8Very high98.2Very high3 Ų342.5 Ų42.52%0.01619%0.191CC..SBendtrans-71.1-23.3175.163.7-66.3000112.1D85 S120 H167 L199 W200 H241D85-N117 PolarHBondContact OD1-N 3.34Å; D85-N117 VanDerWaalsContact OD1-N 3.09Å; D85-N117 PolarHBondContact OD1-OD1 2.99Å; D85-N117 PolarHBondContact OD2-OD1 3Å; N117-S120 PolarHBondContact O-OG 2.79Å; N117-H167 PolarHBondContact N-CD2 2.92Å; N117-H167 VanDerWaalsContact N-CD2 3.28Å; N117-H167 PolarHBondContact OD1-CD2 3.01Å; N117-H167 PolarHBondContact OD1-NE2 2.98Å; N117-L199 HydrophobicContact CB-CB 4.31Å; N117-W200 HydrophobicContact CB-CD2 3.97Å; N117-W200 HydrophobicContact CB-CG 4.3Å; N117-W200 HydrophobicContact CB-CH2 4.5Å; N117-W200 HydrophobicContact CB-CZ2 3.82Å; N117-W200 WeakPolarHBondContact ND2-CH2 3.38Å; N117-H241 PolarHBondContact OD1-CE1 3.33Å; N117-H241 VanDerWaalsContact OD1-CE1 3.27Å; N117-H241 PolarHBondContact OD1-ND1 3.33Å
118H98.6Very high98.1Very high9 Ų940.4 Ų40.44%0.04218%0.183CC..SBendtrans-79.2-14.9174.7-77.4-98.8000114.1H59 D85 V87 D88 G116 S120 I123 T124 Y127H59-H118 AromaticContact CE1-CD2 3.49Å; H59-H118 PolarHBondContact CE1-CD2 3.1Å; H59-H118 VanDerWaalsContact CE1-CD2 3.49Å; H59-H118 AromaticContact CE1-CE1 3.9Å; H59-H118 AromaticContact CE1-CG 3.66Å; H59-H118 AromaticContact CE1-ND1 3.91Å; H59-H118 AromaticContact CE1-NE2 3.65Å; D85-H118 HydrophobicContact CB-CB 4.46Å; D85-H118 VanDerWaalsContact OD1-CB 3.31Å; D85-H118 WeakPolarHBondContact OD1-CB 3.25Å; D85-H118 IonicContact OD1-CD2 2.66Å; D85-H118 IonicContact OD1-CG 2.79Å; D85-H118 PolarHBondContact OD1-N 2.94Å; D85-H118 IonicContact OD2-CD2 2.83Å; D85-H118 PolarHBondContact OD2-CD2 3.36Å; D85-H118 VanDerWaalsContact OD2-CD2 3.29Å; V87-H118 HydrophobicContact CG2-CB 4.45Å; D88-H118 VanDerWaalsContact CB-ND1 3.26Å; D88-H118 WeakPolarHBondContact CB-ND1 3.46Å; D88-H118 IonicContact OD2-CE1 3.96Å; D88-H118 IonicContact OD2-CG 3.79Å; D88-H118 IonicContact OD2-ND1 2.83Å; D88-H118 PolarHBondContact OD2-ND1 3.36Å; G116-H118 PolarHBondContact O-N 2.93Å; H118-S120 PolarHBondContact O-N 2.82Å; H118-I123 HydrophobicContact CB-CG2 4.25Å; H118-I123 VanDerWaalsContact CE1-CG2 3.42Å; H118-I123 WeakPolarHBondContact CE1-CG2 3.19Å; H118-I123 WeakPolarHBondContact ND1-CG2 3.43Å; H118-T124 WeakPolarHBondContact O-CG2 3.22Å; H118-Y127 AromaticContact CE1-CG 3.98Å
119E98.8Very high98.2Very high0 Ų036 Ų360%017%0.167CC..SBendtrans-79.552.6170.4-77.871.4-132.800111.7D85 Y86 V87 R115 G116 F150 L153D85-E119 PolarHBondContact N-OE2 3.29Å; Y86-E119 HydrophobicContact CD2-CG 3.97Å; Y86-E119 HydrophobicContact CE2-CG 4.37Å; Y86-E119 PolarHBondContact N-OE1 3.19Å; V87-E119 PolarHBondContact N-OE1 2.89Å; R115-E119 HydrophobicContact CG-CB 3.86Å; R115-E119 PolarHBondContact NE-O 3.44Å; R115-E119 PolarHBondContact NH2-O 2.85Å; R115-E119 VanDerWaalsContact NH2-O 3.07Å; G116-E119 WeakPolarHBondContact CA-OE2 3.22Å; G116-E119 PolarHBondContact N-OE2 2.84Å; G116-E119 PolarHBondContact O-N 3.47Å; E119-F150 HydrophobicContact CB-CB 3.93Å; E119-F150 HydrophobicContact CB-CD1 4.12Å; E119-F150 HydrophobicContact CB-CD2 3.78Å; E119-F150 HydrophobicContact CB-CE2 4.3Å; E119-F150 HydrophobicContact CB-CG 3.68Å; E119-F150 HydrophobicContact CG-CD1 3.8Å; E119-F150 HydrophobicContact CG-CD2 4.02Å; E119-F150 HydrophobicContact CG-CE1 3.9Å; E119-F150 HydrophobicContact CG-CE2 4.11Å; E119-F150 HydrophobicContact CG-CG 3.87Å; E119-F150 HydrophobicContact CG-CZ 4.05Å; E119-F150 WeakPolarHBondContact O-CB 3.4Å; E119-L153 HydrophobicContact CB-CD1 4.04Å; E119-L153 HydrophobicContact CG-CD1 3.82Å
120S98.7Very high98.3Very high5 Ų531.1 Ų31.14%0.03514%0.141CC..SBendtrans-140.1145.6-179.368.80000111.5N117 H118 Q122 I123 T124 E188N117-S120 PolarHBondContact O-OG 2.79Å; H118-S120 PolarHBondContact O-N 2.82Å; S120-Q122 PolarHBondContact O-N 2.93Å; S120-I123 VanDerWaalsContact OG-CB 3.24Å; S120-I123 WeakPolarHBondContact OG-CB 3.5Å; S120-I123 WeakPolarHBondContact OG-CG1 3.36Å; S120-T124 WeakPolarHBondContact O-CB 3.39Å; S120-T124 VanDerWaalsContact O-CG2 3.28Å; S120-T124 WeakPolarHBondContact O-CG2 3.48Å; S120-T124 PolarHBondContact O-N 2.79Å; S120-T124 PolarHBondContact O-OG1 3.49Å; S120-E188 WeakPolarHBondContact CB-OE1 3.38Å
121R98.7Very high98.2Very high55 Ų5529.5 Ų29.521%0.20814%0.142CC..Hα-helixtrans-61.8-42.7-177.2-69.7170.5-17684.1-5111.8T124 Q125 W143 T147 D148 D151 E188R121-T124 PolarHBondContact O-OG1 3.37Å; R121-Q125 WeakPolarHBondContact O-CB 3.28Å; R121-Q125 VanDerWaalsContact O-CG 3.28Å; R121-Q125 WeakPolarHBondContact O-CG 3.49Å; R121-Q125 PolarHBondContact O-N 2.79Å; R121-Q125 VanDerWaalsContact O-N 3.17Å; R121-W143 HydrophobicContact CB-CH2 4.23Å; R121-W143 HydrophobicContact CB-CZ2 3.85Å; R121-W143 HydrophobicContact CG-CH2 4.2Å; R121-W143 HydrophobicContact CG-CZ2 3.99Å; R121-T147 HydrophobicContact CG-CG2 3.81Å; R121-T147 PolarHBondContact NH2-O 3.14Å; R121-D148 IonicContact CZ-OD1 3.56Å; R121-D148 IonicContact NE-OD1 3.79Å; R121-D148 IonicContact NH2-OD1 3.29Å; R121-D148 PolarHBondContact NH2-OD1 2.76Å; R121-D151 IonicContact CZ-OD2 2.73Å; R121-D151 VanDerWaalsContact CZ-OD2 3.32Å; R121-D151 IonicContact NH1-OD1 3.57Å; R121-D151 PolarHBondContact NH1-OD1 2.97Å; R121-D151 IonicContact NH1-OD2 3.82Å; R121-D151 PolarHBondContact NH1-OD2 2.84Å; R121-D151 IonicContact NH2-OD2 2.57Å; R121-D151 PolarHBondContact NH2-OD2 2.76Å; R121-E188 WeakPolarHBondContact CB-OE2 3.24Å; R121-E188 WeakPolarHBondContact CD-OE2 3.45Å; R121-E188 VanDerWaalsContact CG-OE2 3.31Å; R121-E188 WeakPolarHBondContact CG-OE2 3.36Å; R121-E188 IonicContact CZ-OE2 3.69Å; R121-E188 PolarHBondContact N-OE1 3.08Å; R121-E188 PolarHBondContact N-OE2 3.05Å; R121-E188 IonicContact NH1-OE2 3.23Å; R121-E188 PolarHBondContact NH1-OE2 2.96Å
122Q97.6Very high98.2Very high89 Ų8929.7 Ų29.742%0.41614%0.142SC..Hα-helixtrans-66.9-42.6-176.3-62-171.515.500112.1S120 E188 H191S120-Q122 PolarHBondContact O-N 2.93Å; Q122-E188 PolarHBondContact N-OE1 3.13Å; Q122-H191 PolarHBondContact NE2-CE1 3.2Å; Q122-H191 VanDerWaalsContact NE2-CE1 3.35Å; Q122-H191 PolarHBondContact NE2-NE2 3.17Å; Q122-H191 PolarHBondContact OE1-CE1 2.93Å
123I98Very high98.2Very high26 Ų2629.1 Ų29.113%0.13314%0.139CC..Hα-helixtrans-70.9-46.3-179-58.9-60000109.9H118 S120 Q125 V126 Y127 W200H118-I123 HydrophobicContact CB-CG2 4.25Å; H118-I123 VanDerWaalsContact CE1-CG2 3.42Å; H118-I123 WeakPolarHBondContact CE1-CG2 3.19Å; H118-I123 WeakPolarHBondContact ND1-CG2 3.43Å; S120-I123 VanDerWaalsContact OG-CB 3.24Å; S120-I123 WeakPolarHBondContact OG-CB 3.5Å; S120-I123 WeakPolarHBondContact OG-CG1 3.36Å; I123-Q125 PolarHBondContact O-N 3.04Å; I123-Q125 VanDerWaalsContact O-N 3.17Å; I123-V126 PolarHBondContact O-N 2.93Å; I123-Y127 HydrophobicContact CB-CD2 4.35Å; I123-Y127 HydrophobicContact CD1-CE2 4.21Å; I123-Y127 HydrophobicContact CG2-CD2 3.47Å; I123-Y127 VanDerWaalsContact CG2-CD2 3.47Å; I123-Y127 HydrophobicContact CG2-CE2 4.03Å; I123-Y127 HydrophobicContact CG2-CG 4.41Å; I123-Y127 WeakPolarHBondContact O-CD2 3.42Å; I123-Y127 PolarHBondContact O-N 3.21Å; I123-W200 HydrophobicContact CD1-CH2 3.92Å; I123-W200 HydrophobicContact CD1-CZ2 3.77Å; I123-W200 HydrophobicContact CG1-CZ2 4.07Å
124T98.4Very high98.2Very high0 Ų032.5 Ų32.50%016%0.156CC..Hα-helixtrans-63.1-25.2179.352.80000114.8V87 D88 H118 S120 R121 V126 F129 Y130 W143 F150V87-T124 HydrophobicContact CG2-CG2 3.77Å; D88-T124 WeakPolarHBondContact OD1-CA 3.41Å; D88-T124 WeakPolarHBondContact OD2-CA 3.43Å; H118-T124 WeakPolarHBondContact O-CG2 3.22Å; S120-T124 WeakPolarHBondContact O-CB 3.39Å; S120-T124 VanDerWaalsContact O-CG2 3.28Å; S120-T124 WeakPolarHBondContact O-CG2 3.48Å; S120-T124 PolarHBondContact O-N 2.79Å; S120-T124 PolarHBondContact O-OG1 3.49Å; R121-T124 PolarHBondContact O-OG1 3.37Å; T124-V126 VanDerWaalsContact C-N 3.26Å; T124-V126 PolarHBondContact O-N 3.11Å; T124-F129 HydrophobicContact CG2-CB 3.88Å; T124-F129 HydrophobicContact CG2-CD1 3.72Å; T124-F129 HydrophobicContact CG2-CG 4.22Å; T124-F129 PolarHBondContact O-N 3.13Å; T124-Y130 VanDerWaalsContact O-CB 3.25Å; T124-Y130 WeakPolarHBondContact O-CB 3.42Å; T124-Y130 PolarHBondContact O-N 3.37Å; T124-W143 PolarHBondContact OG1-NE1 2.95Å; T124-F150 HydrophobicContact CG2-CE2 4.45Å
125Q97.3Very high98.1Very high102 Ų10239.5 Ų39.548%0.47718%0.183SC..Hα-helixtrans-68.9-25.2173.1-82.4179.1-11.800113.3R121 I123 Y130 W143R121-Q125 WeakPolarHBondContact O-CB 3.28Å; R121-Q125 VanDerWaalsContact O-CG 3.28Å; R121-Q125 WeakPolarHBondContact O-CG 3.49Å; R121-Q125 PolarHBondContact O-N 2.79Å; R121-Q125 VanDerWaalsContact O-N 3.17Å; I123-Q125 PolarHBondContact O-N 3.04Å; I123-Q125 VanDerWaalsContact O-N 3.17Å; Q125-Y130 HydrophobicContact CG-CD2 4.29Å; Q125-Y130 HydrophobicContact CG-CG 4.37Å; Q125-W143 HydrophobicContact CG-CH2 4.33Å; Q125-W143 HydrophobicContact CG-CZ2 3.72Å
126V96.6Very high98.1Very high88 Ų8841 Ų4153%0.53319%0.19SC..Hα-helixtrans-102.9-38.5-175179.60000111.5I123 T124I123-V126 PolarHBondContact O-N 2.93Å; T124-V126 VanDerWaalsContact C-N 3.26Å; T124-V126 PolarHBondContact O-N 3.11Å
127Y97.3Very high98.1Very high75 Ų7542.5 Ų42.529%0.29420%0.195SC..Hα-helixtrans-101.711.5-166.8-64.8-75.9000115.5D88 R89 H118 I123 Y307D88-Y127 WeakPolarHBondContact CB-O 3.37Å; R89-Y127 PolarHBondContact N-O 2.96Å; H118-Y127 AromaticContact CE1-CG 3.98Å; I123-Y127 HydrophobicContact CB-CD2 4.35Å; I123-Y127 HydrophobicContact CD1-CE2 4.21Å; I123-Y127 HydrophobicContact CG2-CD2 3.47Å; I123-Y127 VanDerWaalsContact CG2-CD2 3.47Å; I123-Y127 HydrophobicContact CG2-CE2 4.03Å; I123-Y127 HydrophobicContact CG2-CG 4.41Å; I123-Y127 WeakPolarHBondContact O-CD2 3.42Å; I123-Y127 PolarHBondContact O-N 3.21Å; Y127-Y307 WeakPolarHBondContact O-CD2 3.42Å
128G96.3Very high98Very high2 Ų245.4 Ų45.42%0.02123%0.226CC..SBendtrans118.8-20.5157.100000115.9D88 Y130 D131 E132D88-G128 PolarHBondContact OD1-N 2.85Å; G128-Y130 VanDerWaalsContact C-N 3.35Å; G128-Y130 PolarHBondContact O-N 2.83Å; G128-D131 PolarHBondContact O-N 2.94Å; G128-E132 WeakPolarHBondContact O-CB 3.28Å; G128-E132 PolarHBondContact O-N 3.15Å
129F98.5Very high98Very high0 Ų047.3 Ų47.30%024%0.237CC..Hα-helixtrans-64-39.5-177.8-178.3-123.1000112.5V87 D88 V94 V97 T124 E132 C133 W143 F146 F150V87-F129 HydrophobicContact CB-CB 4Å; V87-F129 HydrophobicContact CB-CD1 4.28Å; V87-F129 HydrophobicContact CB-CD2 3.81Å; V87-F129 HydrophobicContact CB-CE2 4.29Å; V87-F129 HydrophobicContact CB-CG 3.78Å; V87-F129 HydrophobicContact CG1-CD1 4.29Å; V87-F129 HydrophobicContact CG1-CD2 3.76Å; V87-F129 HydrophobicContact CG1-CE1 4.26Å; V87-F129 HydrophobicContact CG1-CE2 3.7Å; V87-F129 HydrophobicContact CG1-CG 4.04Å; V87-F129 HydrophobicContact CG1-CZ 3.96Å; V87-F129 HydrophobicContact CG2-CB 4.18Å; V87-F129 HydrophobicContact CG2-CD1 4.23Å; V87-F129 HydrophobicContact CG2-CG 4.1Å; D88-F129 WeakPolarHBondContact OD1-CB 3.24Å; D88-F129 PolarHBondContact OD1-N 3.36Å; V94-F129 HydrophobicContact CG2-CE2 4.03Å; V97-F129 HydrophobicContact CG1-CE2 4.04Å; V97-F129 HydrophobicContact CG1-CZ 3.98Å; T124-F129 HydrophobicContact CG2-CB 3.88Å; T124-F129 HydrophobicContact CG2-CD1 3.72Å; T124-F129 HydrophobicContact CG2-CG 4.22Å; T124-F129 PolarHBondContact O-N 3.13Å; F129-E132 PolarHBondContact O-N 2.78Å; F129-C133 PolarHBondContact O-N 2.99Å; F129-C133 PolarHBondContact O-SG 2.76Å; F129-W143 AromaticContact CD1-CD1 3.84Å; F129-F146 HydrophobicContact CE1-CB 3.84Å; F129-F146 HydrophobicContact CE1-CD2 4.41Å; F129-F146 HydrophobicContact CE1-CG 4.4Å; F129-F146 HydrophobicContact CZ-CB 3.89Å; 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 4.45Å; F129-F150 HydrophobicContact CE1-CE2 4.07Å; F129-F150 HydrophobicContact CE1-CZ 4Å; F129-F150 HydrophobicContact CZ-CZ 4.43Å
130Y98.5Very high98Very high69 Ų6948.8 Ų48.827%0.27125%0.249SC..Hα-helixtrans-58-51.2173.7177.9-92.9000111.9T124 Q125 G128 E132 C133 L134 A140 W143T124-Y130 VanDerWaalsContact O-CB 3.25Å; T124-Y130 WeakPolarHBondContact O-CB 3.42Å; T124-Y130 PolarHBondContact O-N 3.37Å; Q125-Y130 HydrophobicContact CG-CD2 4.29Å; Q125-Y130 HydrophobicContact CG-CG 4.37Å; G128-Y130 VanDerWaalsContact C-N 3.35Å; G128-Y130 PolarHBondContact O-N 2.83Å; Y130-E132 VanDerWaalsContact C-N 3.31Å; Y130-E132 PolarHBondContact O-N 3.04Å; Y130-C133 PolarHBondContact O-N 2.77Å; Y130-L134 HydrophobicContact CE1-CD2 4.47Å; Y130-L134 PolarHBondContact O-N 2.84Å; Y130-A140 HydrophobicContact CE2-CB 4.08Å; Y130-W143 HydrophobicContact CD2-CB 4.34Å; Y130-W143 AromaticContact CD2-CD1 3.95Å; Y130-W143 AromaticContact CD2-CD2 3.54Å; Y130-W143 HydrophobicContact CD2-CD2 3.54Å; Y130-W143 AromaticContact CD2-CE2 3.75Å; Y130-W143 AromaticContact CD2-CE3 3.96Å; Y130-W143 HydrophobicContact CD2-CE3 3.96Å; Y130-W143 AromaticContact CD2-CG 3.69Å; Y130-W143 HydrophobicContact CD2-CG 3.69Å; Y130-W143 HydrophobicContact CD2-CZ2 4.34Å; Y130-W143 AromaticContact CD2-NE1 3.98Å; Y130-W143 HydrophobicContact CE2-CD2 4.12Å; Y130-W143 HydrophobicContact CE2-CE3 4.06Å; Y130-W143 HydrophobicContact CE2-CG 4.49Å; Y130-W143 HydrophobicContact CE2-CZ3 4.47Å
131D97.6Very high98Very high83 Ų8351.8 Ų51.844%0.44427%0.265SS..Hα-helixtrans-64.8-36.7179.9-75.6-19.7000111.8G128 L134 R135G128-D131 PolarHBondContact O-N 2.94Å; D131-L134 PolarHBondContact O-N 3.17Å; D131-R135 VanDerWaalsContact O-CB 3.24Å; D131-R135 WeakPolarHBondContact O-CB 3.16Å; D131-R135 PolarHBondContact O-N 3.17Å
132E98.2Very high98Very high4 Ų449.2 Ų49.22%0.01926%0.255CS..Hα-helixtrans-62-48.7174.1-175.1178.9154.800111.3Y92 S93 V94 G128 F129 Y130 L134 R135 K136Y92-E132 WeakPolarHBondContact CA-OE1 3.36Å; S93-E132 WeakPolarHBondContact CB-OE2 3.49Å; S93-E132 VanDerWaalsContact N-CD 3.3Å; S93-E132 PolarHBondContact N-OE1 3.33Å; S93-E132 PolarHBondContact N-OE2 2.87Å; S93-E132 PolarHBondContact OG-OE2 2.86Å; S93-E132 VanDerWaalsContact OG-OE2 3.1Å; V94-E132 WeakPolarHBondContact CB-OE1 3.1Å; V94-E132 HydrophobicContact CG2-CG 3.96Å; V94-E132 WeakPolarHBondContact CG2-OE1 3.23Å; V94-E132 PolarHBondContact N-OE1 2.86Å; G128-E132 WeakPolarHBondContact O-CB 3.28Å; G128-E132 PolarHBondContact O-N 3.15Å; F129-E132 PolarHBondContact O-N 2.78Å; Y130-E132 VanDerWaalsContact C-N 3.31Å; Y130-E132 PolarHBondContact O-N 3.04Å; E132-L134 PolarHBondContact O-N 2.97Å; E132-R135 PolarHBondContact O-N 3.26Å; E132-K136 HydrophobicContact CG-CD 3.95Å; E132-K136 WeakPolarHBondContact O-CB 3.45Å; E132-K136 WeakPolarHBondContact O-CG 3.42Å; E132-K136 PolarHBondContact O-N 2.82Å; E132-K136 IonicContact OE1-NZ 3.44Å; E132-K136 PolarHBondContact OE1-NZ 3.45Å
133C98.6Very high98.1Very high0 Ų046.5 Ų46.50%024%0.241CC..Hα-helixtrans-59.4-47176-70.90000111.5F129 Y130 R135 K136 Y137 W143F129-C133 PolarHBondContact O-N 2.99Å; F129-C133 PolarHBondContact O-SG 2.76Å; Y130-C133 PolarHBondContact O-N 2.77Å; C133-R135 VanDerWaalsContact C-N 3.32Å; C133-R135 PolarHBondContact O-N 2.82Å; C133-K136 PolarHBondContact O-N 3.45Å; C133-Y137 WeakPolarHBondContact O-CB 3.25Å; C133-Y137 WeakPolarHBondContact O-CD2 3.34Å; C133-Y137 PolarHBondContact O-N 3.5Å; C133-W143 HydrophobicContact CB-CB 3.87Å
134L98.1Very high98.1Very high72 Ų7250.2 Ų50.238%0.37726%0.256SS..Hα-helixtrans-60.6-43.5179.6-17563.2000111.4Y130 D131 E132 K136 G138Y130-L134 HydrophobicContact CE1-CD2 4.47Å; Y130-L134 PolarHBondContact O-N 2.84Å; D131-L134 PolarHBondContact O-N 3.17Å; E132-L134 PolarHBondContact O-N 2.97Å; L134-K136 PolarHBondContact O-N 2.71Å; L134-G138 VanDerWaalsContact O-CA 3.24Å; L134-G138 WeakPolarHBondContact O-CA 3.47Å; L134-G138 PolarHBondContact O-N 2.77Å
135R97.9Very high98.1Very high147 Ų14752.2 Ų52.256%0.55526%0.264SS*.Hα-helixtrans-63.9-38.7177.3178.31795880.2-8112.8D131 E132 C133D131-R135 VanDerWaalsContact O-CB 3.24Å; D131-R135 WeakPolarHBondContact O-CB 3.16Å; D131-R135 PolarHBondContact O-N 3.17Å; E132-R135 PolarHBondContact O-N 3.26Å; C133-R135 VanDerWaalsContact C-N 3.32Å; C133-R135 PolarHBondContact O-N 2.82Å
136K98.4Very high98.2Very high33 Ų3347.3 Ų47.314%0.14324%0.241CC..Hα-helixtrans-85.9-29.5-173.7-80.2-178.6170.4169.40114.5Q22 V94 E95 E132 C133 L134Q22-K136 PolarHBondContact NE2-O 2.9Å; Q22-K136 VanDerWaalsContact NE2-O 3.09Å; Q22-K136 VanDerWaalsContact OE1-CB 3.32Å; Q22-K136 VanDerWaalsContact OE1-CD 3.3Å; Q22-K136 VanDerWaalsContact OE1-CG 3.28Å; V94-K136 HydrophobicContact CB-CD 3.93Å; V94-K136 HydrophobicContact CG1-CD 4.23Å; V94-K136 HydrophobicContact CG2-CD 3.92Å; E95-K136 VanDerWaalsContact OE1-CE 3.28Å; E95-K136 WeakPolarHBondContact OE1-CE 3.11Å; E95-K136 IonicContact OE1-NZ 3.32Å; E95-K136 PolarHBondContact OE1-NZ 2.92Å; E95-K136 IonicContact OE2-NZ 2.76Å; E95-K136 PolarHBondContact OE2-NZ 3.02Å; E132-K136 HydrophobicContact CG-CD 3.95Å; E132-K136 WeakPolarHBondContact O-CB 3.45Å; E132-K136 WeakPolarHBondContact O-CG 3.42Å; E132-K136 PolarHBondContact O-N 2.82Å; E132-K136 IonicContact OE1-NZ 3.44Å; E132-K136 PolarHBondContact OE1-NZ 3.45Å; C133-K136 PolarHBondContact O-N 3.45Å; L134-K136 PolarHBondContact O-N 2.71Å
137Y98.6Very high98.3Very high30 Ų3043.2 Ų43.212%0.11822%0.216CC..Hα-helixtrans-116.4-8.9-174.9-65.7-83.4000113.6L23 E25 V94 C133 N139 V142L23-Y137 WeakPolarHBondContact O-CE1 3.44Å; L23-Y137 PolarHBondContact O-OH 2.9Å; E25-Y137 HydrophobicContact CB-CD1 4.23Å; V94-Y137 HydrophobicContact CG1-CE2 3.72Å; V94-Y137 WeakPolarHBondContact CG1-OH 3.35Å; V94-Y137 HydrophobicContact CG2-CE2 4.21Å; C133-Y137 WeakPolarHBondContact O-CB 3.25Å; C133-Y137 WeakPolarHBondContact O-CD2 3.34Å; C133-Y137 PolarHBondContact O-N 3.5Å; Y137-N139 PolarHBondContact O-N 3.47Å; Y137-N139 PolarHBondContact O-ND2 3.13Å; Y137-V142 HydrophobicContact CD1-CG2 3.59Å; Y137-V142 HydrophobicContact CD2-CB 3.76Å; Y137-V142 HydrophobicContact CD2-CG1 3.88Å; Y137-V142 HydrophobicContact CD2-CG2 3.68Å; Y137-V142 HydrophobicContact CE1-CG2 3.76Å; Y137-V142 HydrophobicContact CE2-CB 3.99Å; Y137-V142 HydrophobicContact CE2-CG1 3.62Å; Y137-V142 HydrophobicContact CE2-CG2 3.85Å; Y137-V142 HydrophobicContact CG-CB 4.06Å; Y137-V142 HydrophobicContact CG-CG2 3.54Å
138G98.3Very high98.4Very high65 Ų6541.2 Ų41.267%0.6721%0.211SC*.SBendtrans731.8179.900000114.4L134L134-G138 VanDerWaalsContact O-CA 3.24Å; L134-G138 WeakPolarHBondContact O-CA 3.47Å; L134-G138 PolarHBondContact O-N 2.77Å
139N98.4Very high98.5Very high48 Ų4841.2 Ų41.226%0.25721%0.21SC..SBendtrans-153.5174.4177.869.965.8000110.6E25 Y137 N141E25-N139 PolarHBondContact OE2-ND2 2.79Å; Y137-N139 PolarHBondContact O-N 3.47Å; Y137-N139 PolarHBondContact O-ND2 3.13Å; N139-N141 WeakPolarHBondContact OD1-CB 3.1Å; N139-N141 VanDerWaalsContact OD1-CG 3.23Å; N139-N141 PolarHBondContact OD1-N 2.94Å; N139-N141 PolarHBondContact OD1-ND2 3.23Å
140A97.9Very high98.5Very high32 Ų3241.3 Ų41.326%0.26421%0.211SC..SBendtrans-93.96.2-175.800000114.8Y130 V142 W143 K144Y130-A140 HydrophobicContact CE2-CB 4.08Å; A140-V142 PolarHBondContact O-N 2.87Å; A140-W143 PolarHBondContact O-N 2.81Å; A140-K144 PolarHBondContact O-N 2.99Å
141N98.8Very high98.5Very high68 Ų6838.9 Ų38.936%0.36420%0.202SC..Hα-helixtrans-65.6-42-174.1-66.6-20.5000111.9E25 N139 W143 K144 Y145E25-N141 HydrophobicContact CG-CB 4.41Å; E25-N141 VanDerWaalsContact OE1-CB 3.3Å; E25-N141 WeakPolarHBondContact OE1-CB 3.1Å; E25-N141 PolarHBondContact OE1-ND2 2.85Å; N139-N141 WeakPolarHBondContact OD1-CB 3.1Å; N139-N141 VanDerWaalsContact OD1-CG 3.23Å; N139-N141 PolarHBondContact OD1-N 2.94Å; N139-N141 PolarHBondContact OD1-ND2 3.23Å; N141-W143 PolarHBondContact O-N 2.88Å; N141-K144 CarbonylContact O-C 3.59Å; N141-K144 WeakPolarHBondContact O-CA 3.16Å; N141-K144 WeakPolarHBondContact O-CB 3.44Å; N141-K144 PolarHBondContact O-N 3.12Å; N141-K144 VanDerWaalsContact O-N 3.14Å; N141-Y145 HydrophobicContact CB-CE2 3.85Å; N141-Y145 VanDerWaalsContact O-CD2 3.24Å; N141-Y145 WeakPolarHBondContact O-CD2 3.41Å; N141-Y145 PolarHBondContact O-N 2.8Å
142V98.8Very high98.6Very high0 Ų038.2 Ų38.20%019%0.194CC..Hα-helixtrans-62.3-42.9178167.90000111.9E25 V28 Y137 A140 K144 Y145 F146E25-V142 HydrophobicContact CB-CG2 4.24Å; E25-V142 HydrophobicContact CG-CG2 3.99Å; V28-V142 HydrophobicContact CB-CG2 4.38Å; V28-V142 HydrophobicContact CG1-CG1 4.05Å; V28-V142 HydrophobicContact CG1-CG2 4.31Å; Y137-V142 HydrophobicContact CD1-CG2 3.59Å; Y137-V142 HydrophobicContact CD2-CB 3.76Å; Y137-V142 HydrophobicContact CD2-CG1 3.88Å; Y137-V142 HydrophobicContact CD2-CG2 3.68Å; Y137-V142 HydrophobicContact CE1-CG2 3.76Å; Y137-V142 HydrophobicContact CE2-CB 3.99Å; Y137-V142 HydrophobicContact CE2-CG1 3.62Å; Y137-V142 HydrophobicContact CE2-CG2 3.85Å; Y137-V142 HydrophobicContact CG-CB 4.06Å; Y137-V142 HydrophobicContact CG-CG2 3.54Å; A140-V142 PolarHBondContact O-N 2.87Å; V142-K144 VanDerWaalsContact C-N 3.29Å; V142-K144 PolarHBondContact O-N 3.15Å; V142-Y145 PolarHBondContact O-N 2.75Å; V142-F146 HydrophobicContact CG1-CD2 3.61Å; V142-F146 HydrophobicContact CG1-CE2 3.6Å; V142-F146 WeakPolarHBondContact O-CD2 3.24Å; V142-F146 PolarHBondContact O-N 3.04Å
143W98.9Very high98.6Very high32 Ų3238.2 Ų38.212%0.12119%0.194CC..Hα-helixtrans-58.6-43.6173.3172.281000111.2R121 T124 Q125 F129 Y130 C133 A140 N141 F146 T147R121-W143 HydrophobicContact CB-CH2 4.23Å; R121-W143 HydrophobicContact CB-CZ2 3.85Å; R121-W143 HydrophobicContact CG-CH2 4.2Å; R121-W143 HydrophobicContact CG-CZ2 3.99Å; T124-W143 PolarHBondContact OG1-NE1 2.95Å; Q125-W143 HydrophobicContact CG-CH2 4.33Å; Q125-W143 HydrophobicContact CG-CZ2 3.72Å; F129-W143 AromaticContact CD1-CD1 3.84Å; Y130-W143 HydrophobicContact CD2-CB 4.34Å; Y130-W143 AromaticContact CD2-CD1 3.95Å; Y130-W143 AromaticContact CD2-CD2 3.54Å; Y130-W143 HydrophobicContact CD2-CD2 3.54Å; Y130-W143 AromaticContact CD2-CE2 3.75Å; Y130-W143 AromaticContact CD2-CE3 3.96Å; Y130-W143 HydrophobicContact CD2-CE3 3.96Å; Y130-W143 AromaticContact CD2-CG 3.69Å; Y130-W143 HydrophobicContact CD2-CG 3.69Å; Y130-W143 HydrophobicContact CD2-CZ2 4.34Å; Y130-W143 AromaticContact CD2-NE1 3.98Å; Y130-W143 HydrophobicContact CE2-CD2 4.12Å; Y130-W143 HydrophobicContact CE2-CE3 4.06Å; Y130-W143 HydrophobicContact CE2-CG 4.49Å; Y130-W143 HydrophobicContact CE2-CZ3 4.47Å; C133-W143 HydrophobicContact CB-CB 3.87Å; A140-W143 PolarHBondContact O-N 2.81Å; N141-W143 PolarHBondContact O-N 2.88Å; W143-F146 PolarHBondContact O-N 3.42Å; W143-T147 HydrophobicContact CD2-CG2 4.24Å; W143-T147 HydrophobicContact CG-CG2 4.4Å; W143-T147 HydrophobicContact CZ2-CG2 4.13Å; W143-T147 WeakPolarHBondContact O-CB 3.39Å; W143-T147 WeakPolarHBondContact O-CG2 3.5Å; W143-T147 PolarHBondContact O-N 2.9Å; W143-T147 PolarHBondContact O-OG1 2.95Å
144K98.9Very high98.7Very high104 Ų10438.2 Ų38.245%0.45219%0.194SC..Hα-helixtrans-62-45.2175.2177.7169.1173.9470112.3A140 N141 V142 F146 T147 D148A140-K144 PolarHBondContact O-N 2.99Å; N141-K144 CarbonylContact O-C 3.59Å; N141-K144 WeakPolarHBondContact O-CA 3.16Å; N141-K144 WeakPolarHBondContact O-CB 3.44Å; N141-K144 PolarHBondContact O-N 3.12Å; N141-K144 VanDerWaalsContact O-N 3.14Å; V142-K144 VanDerWaalsContact C-N 3.29Å; V142-K144 PolarHBondContact O-N 3.15Å; K144-F146 VanDerWaalsContact C-N 3.34Å; K144-F146 PolarHBondContact O-N 2.88Å; K144-T147 WeakPolarHBondContact CA-OG1 3.44Å; K144-T147 PolarHBondContact O-N 2.72Å; K144-T147 PolarHBondContact O-OG1 3.24Å; K144-D148 WeakPolarHBondContact CG-OD2 3.34Å; K144-D148 IonicContact NZ-OD1 3.66Å; K144-D148 PolarHBondContact NZ-OD1 2.91Å; K144-D148 IonicContact NZ-OD2 2.82Å; K144-D148 PolarHBondContact NZ-OD2 2.82Å; K144-D148 VanDerWaalsContact O-CB 3.28Å; K144-D148 WeakPolarHBondContact O-CB 3.48Å; K144-D148 PolarHBondContact O-N 3.29Å
145Y98.9Very high98.7Very high42 Ų4234.8 Ų34.817%0.16518%0.176CC..Hα-helixtrans-61-43.8-179.8-59.5-34.5000111.9E25 V28 R29 N141 V142 L149E25-Y145 HydrophobicContact CG-CE2 3.86Å; V28-Y145 HydrophobicContact CG1-CD2 4.37Å; R29-Y145 HydrophobicContact CB-CD2 3.89Å; R29-Y145 HydrophobicContact CB-CE1 4.43Å; R29-Y145 HydrophobicContact CB-CE2 3.7Å; R29-Y145 HydrophobicContact CB-CG 4.36Å; R29-Y145 HydrophobicContact CG-CD1 4.39Å; R29-Y145 HydrophobicContact CG-CE1 4.1Å; R29-Y145 HydrophobicContact CG-CE2 4.25Å; N141-Y145 HydrophobicContact CB-CE2 3.85Å; N141-Y145 VanDerWaalsContact O-CD2 3.24Å; N141-Y145 WeakPolarHBondContact O-CD2 3.41Å; N141-Y145 PolarHBondContact O-N 2.8Å; V142-Y145 PolarHBondContact O-N 2.75Å; Y145-L149 WeakPolarHBondContact O-CB 3.46Å; Y145-L149 PolarHBondContact O-N 2.83Å; Y145-L149 VanDerWaalsContact O-N 3.1Å
146F98.9Very high98.7Very high0 Ų027.8 Ų27.80%015%0.15CC..Hα-helixtrans-70.5-45.9177.4-79.8-60000112.8V28 V97 T98 F129 V142 W143 K144 D148 L149 F150V28-F146 HydrophobicContact CG1-CD2 4.13Å; V28-F146 HydrophobicContact CG1-CE1 4.44Å; V28-F146 HydrophobicContact CG1-CE2 3.5Å; V28-F146 VanDerWaalsContact CG1-CE2 3.5Å; V28-F146 HydrophobicContact CG1-CZ 3.66Å; V28-F146 HydrophobicContact CG2-CE2 4.49Å; V97-F146 HydrophobicContact CG1-CD1 4.04Å; V97-F146 HydrophobicContact CG1-CD2 4.32Å; V97-F146 HydrophobicContact CG1-CE1 3.85Å; V97-F146 HydrophobicContact CG1-CE2 4.11Å; V97-F146 HydrophobicContact CG1-CG 4.3Å; V97-F146 HydrophobicContact CG1-CZ 3.89Å; V97-F146 HydrophobicContact CG2-CD1 4.35Å; V97-F146 HydrophobicContact CG2-CE1 4.44Å; T98-F146 HydrophobicContact CG2-CZ 4.42Å; T98-F146 VanDerWaalsContact OG1-CZ 3.27Å; T98-F146 WeakPolarHBondContact OG1-CZ 3.39Å; F129-F146 HydrophobicContact CE1-CB 3.84Å; F129-F146 HydrophobicContact CE1-CD2 4.41Å; F129-F146 HydrophobicContact CE1-CG 4.4Å; F129-F146 HydrophobicContact CZ-CB 3.89Å; 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 3.61Å; V142-F146 HydrophobicContact CG1-CE2 3.6Å; V142-F146 WeakPolarHBondContact O-CD2 3.24Å; V142-F146 PolarHBondContact O-N 3.04Å; W143-F146 PolarHBondContact O-N 3.42Å; K144-F146 VanDerWaalsContact C-N 3.34Å; K144-F146 PolarHBondContact O-N 2.88Å; F146-D148 VanDerWaalsContact C-N 3.29Å; F146-D148 PolarHBondContact O-N 3.11Å; F146-L149 HydrophobicContact CD1-CD2 4.33Å; F146-L149 CarbonylContact O-C 3.53Å; F146-L149 WeakPolarHBondContact O-CA 3.48Å; F146-L149 VanDerWaalsContact O-CB 3.3Å; F146-L149 WeakPolarHBondContact O-CB 3.3Å; F146-L149 PolarHBondContact O-N 3.46Å; F146-F150 HydrophobicContact CB-CE1 4.13Å; F146-F150 HydrophobicContact CB-CE2 4.38Å; F146-F150 HydrophobicContact CB-CZ 3.88Å; F146-F150 HydrophobicContact CD1-CE1 4.44Å; F146-F150 WeakPolarHBondContact O-CD1 3.36Å; F146-F150 WeakPolarHBondContact O-CG 2.71Å; F146-F150 PolarHBondContact O-N 2.96Å
147T98.9Very high98.8Very high1 Ų126.2 Ų26.21%0.00614%0.143CC..Hα-helixtrans-65.3-33.7178.651.70000112.8R121 W143 K144 L149 F150R121-T147 HydrophobicContact CG-CG2 3.81Å; R121-T147 PolarHBondContact NH2-O 3.14Å; W143-T147 HydrophobicContact CD2-CG2 4.24Å; W143-T147 HydrophobicContact CG-CG2 4.4Å; W143-T147 HydrophobicContact CZ2-CG2 4.13Å; W143-T147 WeakPolarHBondContact O-CB 3.39Å; W143-T147 WeakPolarHBondContact O-CG2 3.5Å; W143-T147 PolarHBondContact O-N 2.9Å; W143-T147 PolarHBondContact O-OG1 2.95Å; K144-T147 WeakPolarHBondContact CA-OG1 3.44Å; K144-T147 PolarHBondContact O-N 2.72Å; K144-T147 PolarHBondContact O-OG1 3.24Å; T147-L149 VanDerWaalsContact C-N 3.3Å; T147-L149 PolarHBondContact O-N 2.97Å; T147-F150 HydrophobicContact CG2-CD2 4.08Å; T147-F150 HydrophobicContact CG2-CE2 4.18Å; T147-F150 PolarHBondContact O-N 2.82Å
148D98.9Very high98.8Very high34 Ų3425.1 Ų25.118%0.18214%0.139CC..Hα-helixtrans-68.7-28.1170.1-64.8-14000112.2K36 R121 K144 F146 Y152K36-D148 VanDerWaalsContact CE-C 3.43Å; K36-D148 VanDerWaalsContact CE-O 3.24Å; K36-D148 WeakPolarHBondContact CE-O 3.34Å; K36-D148 VanDerWaalsContact NZ-CB 3.28Å; R121-D148 IonicContact CZ-OD1 3.56Å; R121-D148 IonicContact NE-OD1 3.79Å; R121-D148 IonicContact NH2-OD1 3.29Å; R121-D148 PolarHBondContact NH2-OD1 2.76Å; K144-D148 WeakPolarHBondContact CG-OD2 3.34Å; K144-D148 IonicContact NZ-OD1 3.66Å; K144-D148 PolarHBondContact NZ-OD1 2.91Å; K144-D148 IonicContact NZ-OD2 2.82Å; K144-D148 PolarHBondContact NZ-OD2 2.82Å; K144-D148 VanDerWaalsContact O-CB 3.28Å; K144-D148 WeakPolarHBondContact O-CB 3.48Å; K144-D148 PolarHBondContact O-N 3.29Å; F146-D148 VanDerWaalsContact C-N 3.29Å; F146-D148 PolarHBondContact O-N 3.11Å; D148-Y152 WeakPolarHBondContact O-CD2 3.1Å; D148-Y152 WeakPolarHBondContact O-CE2 3.37Å
149L98.9Very high98.8Very high1 Ų122 Ų221%0.00511%0.107CC..Hα-helixtrans-73.9-36.8172.9171.966.7000111.7C32 A35 K36 L39 V101 Y145 F146 T147 D151 Y152C32-L149 HydrophobicContact CB-CB 4.38Å; C32-L149 HydrophobicContact CB-CD2 4.36Å; A35-L149 HydrophobicContact CB-CD1 3.52Å; A35-L149 HydrophobicContact CB-CD2 4.03Å; A35-L149 HydrophobicContact CB-CG 4.45Å; K36-L149 HydrophobicContact CG-CD1 3.7Å; L39-L149 HydrophobicContact CD1-CD1 3.7Å; L39-L149 HydrophobicContact CD1-CG 4.47Å; V101-L149 HydrophobicContact CB-CD2 4.46Å; V101-L149 HydrophobicContact CG1-CD2 3.78Å; V101-L149 HydrophobicContact CG2-CD2 3.78Å; Y145-L149 WeakPolarHBondContact O-CB 3.46Å; Y145-L149 PolarHBondContact O-N 2.83Å; Y145-L149 VanDerWaalsContact O-N 3.1Å; F146-L149 HydrophobicContact CD1-CD2 4.33Å; F146-L149 CarbonylContact O-C 3.53Å; F146-L149 WeakPolarHBondContact O-CA 3.48Å; F146-L149 VanDerWaalsContact O-CB 3.3Å; F146-L149 WeakPolarHBondContact O-CB 3.3Å; F146-L149 PolarHBondContact O-N 3.46Å; T147-L149 VanDerWaalsContact C-N 3.3Å; T147-L149 PolarHBondContact O-N 2.97Å; L149-D151 PolarHBondContact O-N 2.85Å; L149-Y152 WeakPolarHBondContact O-CB 3.24Å; L149-Y152 PolarHBondContact O-N 3.03Å
150F98.9Very high98.8Very high3 Ų322.8 Ų22.81%0.01311%0.111CC..Hα-helixtrans-58.5-31.5-178.4-65.3-16.6000113.1V87 V97 R115 E119 T124 F129 F146 T147 Y152 L153V87-F150 HydrophobicContact CG1-CZ 4.11Å; V87-F150 HydrophobicContact CG2-CE2 4.39Å; V87-F150 HydrophobicContact CG2-CZ 4.42Å; V97-F150 HydrophobicContact CG2-CE1 3.85Å; V97-F150 HydrophobicContact CG2-CZ 4.17Å; R115-F150 WeakPolarHBondContact CD-O 3.42Å; R115-F150 PolarHBondContact NE-O 3.16Å; E119-F150 HydrophobicContact CB-CB 3.93Å; E119-F150 HydrophobicContact CB-CD1 4.12Å; E119-F150 HydrophobicContact CB-CD2 3.78Å; E119-F150 HydrophobicContact CB-CE2 4.3Å; E119-F150 HydrophobicContact CB-CG 3.68Å; E119-F150 HydrophobicContact CG-CD1 3.8Å; E119-F150 HydrophobicContact CG-CD2 4.02Å; E119-F150 HydrophobicContact CG-CE1 3.9Å; E119-F150 HydrophobicContact CG-CE2 4.11Å; E119-F150 HydrophobicContact CG-CG 3.87Å; E119-F150 HydrophobicContact CG-CZ 4.05Å; E119-F150 WeakPolarHBondContact O-CB 3.4Å; T124-F150 HydrophobicContact CG2-CE2 4.45Å; F129-F150 HydrophobicContact CD1-CE2 4.45Å; F129-F150 HydrophobicContact CE1-CE2 4.07Å; F129-F150 HydrophobicContact CE1-CZ 4Å; F129-F150 HydrophobicContact CZ-CZ 4.43Å; F146-F150 HydrophobicContact CB-CE1 4.13Å; F146-F150 HydrophobicContact CB-CE2 4.38Å; F146-F150 HydrophobicContact CB-CZ 3.88Å; F146-F150 HydrophobicContact CD1-CE1 4.44Å; F146-F150 WeakPolarHBondContact O-CD1 3.36Å; F146-F150 WeakPolarHBondContact O-CG 2.71Å; F146-F150 PolarHBondContact O-N 2.96Å; T147-F150 HydrophobicContact CG2-CD2 4.08Å; T147-F150 HydrophobicContact CG2-CE2 4.18Å; T147-F150 PolarHBondContact O-N 2.82Å; F150-Y152 PolarHBondContact O-N 2.95Å; F150-Y152 VanDerWaalsContact O-N 3.11Å; F150-L153 HydrophobicContact CB-CD1 4.32Å; F150-L153 HydrophobicContact CD1-CD1 3.92Å; F150-L153 HydrophobicContact CG-CD1 4.44Å; F150-L153 WeakPolarHBondContact O-CB 2.86Å; F150-L153 PolarHBondContact O-N 2.8Å; F150-L153 VanDerWaalsContact O-N 3.13Å
151D98.9Very high98.8Very high18 Ų1822.9 Ų22.910%0.09612%0.115CC..THydrogen-bonded Turntrans-60.2-21.2174.8-60.1-25.4000113.2R115 R121 L149 R185 L186 Q187R115-D151 IonicContact CZ-OD1 2.82Å; R115-D151 IonicContact NH1-OD1 3.79Å; R115-D151 IonicContact NH2-OD1 3.04Å; R115-D151 PolarHBondContact NH2-OD1 2.96Å; R121-D151 IonicContact CZ-OD2 2.73Å; R121-D151 VanDerWaalsContact CZ-OD2 3.32Å; R121-D151 IonicContact NH1-OD1 3.57Å; R121-D151 PolarHBondContact NH1-OD1 2.97Å; R121-D151 IonicContact NH1-OD2 3.82Å; R121-D151 PolarHBondContact NH1-OD2 2.84Å; R121-D151 IonicContact NH2-OD2 2.57Å; R121-D151 PolarHBondContact NH2-OD2 2.76Å; L149-D151 PolarHBondContact O-N 2.85Å; D151-R185 VanDerWaalsContact O-O 3.08Å; D151-L186 WeakPolarHBondContact O-CD2 3.3Å; D151-Q187 VanDerWaalsContact OD1-O 3.12Å
152Y98.9Very high98.7Very high69 Ų6923.6 Ų23.627%0.27112%0.117SC..THydrogen-bonded Turntrans-92.2-14-179.9-68.4-101.3000113.8K36 D148 L149 F150 R185 L186K36-Y152 HydrophobicContact CB-CD1 4.36Å; K36-Y152 HydrophobicContact CB-CD2 4.42Å; K36-Y152 HydrophobicContact CB-CE1 4.38Å; K36-Y152 HydrophobicContact CB-CE2 4.43Å; K36-Y152 HydrophobicContact CB-CG 4.38Å; K36-Y152 HydrophobicContact CD-CD2 4.17Å; K36-Y152 HydrophobicContact CD-CE2 3.81Å; K36-Y152 HydrophobicContact CG-CD2 3.74Å; K36-Y152 HydrophobicContact CG-CE2 3.85Å; K36-Y152 HydrophobicContact CG-CG 4.1Å; D148-Y152 WeakPolarHBondContact O-CD2 3.1Å; D148-Y152 WeakPolarHBondContact O-CE2 3.37Å; L149-Y152 WeakPolarHBondContact O-CB 3.24Å; L149-Y152 PolarHBondContact O-N 3.03Å; F150-Y152 PolarHBondContact O-N 2.95Å; F150-Y152 VanDerWaalsContact O-N 3.11Å; Y152-R185 PolarHBondContact O-NE 2.96Å; Y152-R185 PolarHBondContact O-NH2 2.91Å; Y152-L186 HydrophobicContact CD1-CD2 3.64Å; Y152-L186 HydrophobicContact CD2-CD2 4.46Å; Y152-L186 HydrophobicContact CE1-CD2 3.93Å; Y152-L186 HydrophobicContact CG-CD2 3.93Å
153L98.9Very high98.7Very high3 Ų323.8 Ų23.82%0.01612%0.117CC..SBendtrans-61.9128.3-178.4-70170.7000110.6L39 Y86 I113 R115 E119 F150 R185L39-L153 HydrophobicContact CD1-CD2 3.87Å; L39-L153 HydrophobicContact CD1-CG 4.49Å; Y86-L153 HydrophobicContact CE2-CD1 4.23Å; I113-L153 HydrophobicContact CB-CD2 4.22Å; I113-L153 HydrophobicContact CD1-CD2 3.74Å; I113-L153 HydrophobicContact CG1-CD2 3.73Å; R115-L153 HydrophobicContact CB-CB 3.76Å; R115-L153 HydrophobicContact CB-CD1 4.39Å; R115-L153 HydrophobicContact CG-CB 4.16Å; R115-L153 HydrophobicContact CG-CD1 4.26Å; E119-L153 HydrophobicContact CB-CD1 4.04Å; E119-L153 HydrophobicContact CG-CD1 3.82Å; F150-L153 HydrophobicContact CB-CD1 4.32Å; F150-L153 HydrophobicContact CD1-CD1 3.92Å; F150-L153 HydrophobicContact CG-CD1 4.44Å; F150-L153 WeakPolarHBondContact O-CB 2.86Å; F150-L153 PolarHBondContact O-N 2.8Å; F150-L153 VanDerWaalsContact O-N 3.13Å; L153-R185 WeakPolarHBondContact O-CD 3.4Å; L153-R185 PolarHBondContact O-NE 2.86Å
154P98.9Very high98.7Very high0 Ų022.2 Ų22.20%011%0.112CC..  trans-50.8144.2170.5-29.136.9000112.2E42 S43 Q46 L114 R115E42-P154 HydrophobicContact CB-CG 3.84Å; E42-P154 WeakPolarHBondContact OE2-CG 3.21Å; S43-P154 WeakPolarHBondContact O-CB 3.48Å; Q46-P154 HydrophobicContact CB-CB 4.04Å; Q46-P154 HydrophobicContact CB-CG 4.24Å; L114-P154 CarbonylContact C-O 3.5Å; L114-P154 WeakPolarHBondContact CA-O 3.3Å; L114-P154 HydrophobicContact CD2-CB 3.9Å; R115-P154 PolarHBondContact N-O 3.36Å
155L98.9Very high98.7Very high0 Ų017.3 Ų17.30%09%0.09CC..SBendtrans-78.2-36.5-179.9-60.4-179.8000111.4N44 R115 L183 R185 M195 L198N44-L155 PolarHBondContact O-N 2.77Å; R115-L155 HydrophobicContact CB-CD2 4.41Å; L155-L183 HydrophobicContact CD1-CD1 4.02Å; L155-R185 HydrophobicContact CD1-CB 4.06Å; L155-R185 HydrophobicContact CD2-CB 4.17Å; L155-R185 HydrophobicContact CG-CB 3.99Å; L155-M195 HydrophobicContact CD1-CB 4.47Å; L155-M195 HydrophobicContact CD1-CG 3.97Å; L155-M195 HydrophobicContact CD2-CE 4.01Å; L155-M195 HydrophobicContact CD2-CG 4.04Å; L155-L198 HydrophobicContact CB-CD1 4.35Å; L155-L198 HydrophobicContact CD1-CD1 4.08Å
156T99Very high98.7Very high0 Ų015.3 Ų15.30%08%0.082CC..EExtended strand (participates in β ladder)trans-144.4165.4-173.977.40000110.3N44 V45 Q46 F164 C165 L166 I180 L198N44-T156 PolarHBondContact O-N 3.28Å; N44-T156 VanDerWaalsContact O-O 3.06Å; N44-T156 PolarHBondContact O-OG1 3.14Å; N44-T156 VanDerWaalsContact O-OG1 3.13Å; V45-T156 WeakPolarHBondContact CA-OG1 3.48Å; Q46-T156 PolarHBondContact N-O 2.8Å; T156-F164 HydrophobicContact CG2-CE2 3.89Å; T156-F164 HydrophobicContact CG2-CZ 3.69Å; T156-F164 WeakPolarHBondContact OG1-CE2 3.27Å; T156-C165 CarbonylContact C-O 3.58Å; T156-C165 VanDerWaalsContact CA-O 3.23Å; T156-C165 WeakPolarHBondContact CA-O 3.47Å; T156-C165 WeakPolarHBondContact CB-O 3.41Å; T156-L166 HydrophobicContact CG2-CB 3.81Å; T156-L166 HydrophobicContact CG2-CD1 4.49Å; T156-I180 HydrophobicContact CG2-CD1 4.37Å; T156-I180 HydrophobicContact CG2-CG2 4.11Å; T156-L198 HydrophobicContact CG2-CD1 4.29Å; T156-L198 HydrophobicContact CG2-CD2 4.13Å
157A98.9Very high98.7Very high0 Ų015.3 Ų15.30%08%0.082CC..EExtended strand (participates in β ladder)trans-129.6156.5169.200000111.2Q46 V48 L81 L114 C165Q46-A157 HydrophobicContact CB-CB 4.48Å; Q46-A157 CarbonylContact O-C 3.57Å; Q46-A157 WeakPolarHBondContact O-CA 3.48Å; Q46-A157 WeakPolarHBondContact O-CB 3.29Å; V48-A157 HydrophobicContact CG2-CB 4.03Å; L81-A157 HydrophobicContact CD1-CB 3.78Å; L81-A157 HydrophobicContact CG-CB 4.44Å; L114-A157 HydrophobicContact CD1-CB 4.05Å; L114-A157 HydrophobicContact CD2-CB 4.01Å; A157-C165 HydrophobicContact CB-CB 4.26Å; A157-C165 PolarHBondContact N-O 2.94Å; A157-C165 PolarHBondContact O-N 3.44Å
158L98.9Very high98.7Very high7 Ų715.2 Ų15.24%0.0378%0.082CC..EExtended strand (participates in β ladder)trans-126111.7174.7-174.265000108.5V45 Q46 V48 F164 L177 L234V45-L158 HydrophobicContact CG1-CB 3.86Å; Q46-L158 PolarHBondContact O-N 2.96Å; V48-L158 PolarHBondContact N-O 3.05Å; L158-F164 HydrophobicContact CD1-CB 4.39Å; L158-L177 HydrophobicContact CD1-CD1 4.28Å; L158-L177 HydrophobicContact CD2-CD1 3.82Å; L158-L234 HydrophobicContact CD1-CD2 3.53Å
159V98.7Very high98.7Very high0 Ų013.6 Ų13.60%07%0.073CC..EExtended strand (participates in β ladder)trans-89.5116-179.6-170.30000109.3V48 C50 V52 L81 G161 Q162 I163 L278 L282V48-V159 HydrophobicContact CB-CG2 4.25Å; V48-V159 HydrophobicContact CG1-CG2 4.45Å; V48-V159 VanDerWaalsContact O-CA 3.29Å; V48-V159 WeakPolarHBondContact O-CA 3.37Å; C50-V159 WeakPolarHBondContact SG-CG1 3.21Å; V52-V159 HydrophobicContact CG1-CG1 3.82Å; V52-V159 HydrophobicContact CG1-CG2 4.32Å; L81-V159 HydrophobicContact CD1-CG2 3.78Å; V159-G161 PolarHBondContact O-N 3.37Å; V159-Q162 PolarHBondContact O-N 3.28Å; V159-I163 HydrophobicContact CB-CB 4.23Å; V159-I163 PolarHBondContact N-O 3.1Å; V159-I163 PolarHBondContact O-N 3.41Å; V159-I163 VanDerWaalsContact O-N 3.12Å; V159-L278 HydrophobicContact CB-CD1 4.34Å; V159-L278 HydrophobicContact CG1-CD1 3.94Å; V159-L278 HydrophobicContact CG2-CD1 4.37Å; V159-L282 HydrophobicContact CG1-CD2 4.27Å
160D97.7Very high98.7Very high65 Ų6513.7 Ų13.735%0.3487%0.074SC..THydrogen-bonded Turntrans46.237.9-179.4-79.3-19.4000113.9V48 K49 C50 Q162 L282V48-D160 PolarHBondContact O-N 2.91Å; K49-D160 WeakPolarHBondContact CA-OD1 3.39Å; C50-D160 VanDerWaalsContact CB-OD2 3.24Å; C50-D160 WeakPolarHBondContact CB-OD2 3.49Å; C50-D160 PolarHBondContact N-OD2 3.5Å; D160-Q162 PolarHBondContact O-N 2.77Å; D160-Q162 VanDerWaalsContact O-N 3.1Å; D160-L282 HydrophobicContact CB-CD1 3.83Å; D160-L282 HydrophobicContact CB-CD2 4.31Å; D160-L282 HydrophobicContact CB-CG 4.3Å
161G97.7Very high98.7Very high34 Ų3413.6 Ų13.635%0.3517%0.074SC..THydrogen-bonded Turntrans69.41.5178.300000115.5V159V159-G161 PolarHBondContact O-N 3.37Å
162Q98Very high98.7Very high83 Ų8315 Ų1539%0.3888%0.084SC..THydrogen-bonded Turntrans-123.7-38.2-166.8-74.8-175.776.800114.3V159 D160 L234 T235 L282V159-Q162 PolarHBondContact O-N 3.28Å; D160-Q162 PolarHBondContact O-N 2.77Å; D160-Q162 VanDerWaalsContact O-N 3.1Å; Q162-L234 CarbonylContact O-C 3.16Å; Q162-L234 WeakPolarHBondContact O-CA 3.39Å; Q162-T235 HydrophobicContact CB-CG2 4.19Å; Q162-T235 HydrophobicContact CG-CG2 4.35Å; Q162-T235 PolarHBondContact O-N 3.39Å; Q162-T235 PolarHBondContact O-OG1 3.09Å; Q162-L282 HydrophobicContact CB-CD1 4.24Å; Q162-L282 HydrophobicContact CG-CD1 4.48Å
163I98.7Very high98.7Very high3 Ų314.9 Ų14.92%0.0159%0.093CC..EExtended strand (participates in β ladder)trans-106116.6-179.8-57.4-179.8000108.9V159 L236 L278 L282V159-I163 HydrophobicContact CB-CB 4.23Å; V159-I163 PolarHBondContact N-O 3.1Å; V159-I163 PolarHBondContact O-N 3.41Å; V159-I163 VanDerWaalsContact O-N 3.12Å; I163-L236 WeakPolarHBondContact CA-O 3.27Å; I163-L236 HydrophobicContact CD1-CD2 4.38Å; I163-L236 HydrophobicContact CG1-CB 4.21Å; I163-L236 HydrophobicContact CG2-CB 4.22Å; I163-L236 HydrophobicContact CG2-CD2 4.11Å; I163-L236 HydrophobicContact CG2-CG 4.2Å; I163-L278 HydrophobicContact CD1-CD1 3.76Å; I163-L278 HydrophobicContact CD1-CD2 3.51Å; I163-L278 HydrophobicContact CD1-CG 4.31Å; I163-L282 HydrophobicContact CD1-CD2 3.7Å; I163-L282 HydrophobicContact CG1-CD2 4.09Å
164F98.9Very high98.6Very high0 Ų015 Ų150%09%0.094CC..EExtended strand (participates in β ladder)trans-93.7117.6-179.5178-118.6000110.4T156 L158 L166 L170 L177 I180 F228 L234 L236 V237 S238T156-F164 HydrophobicContact CG2-CE2 3.89Å; T156-F164 HydrophobicContact CG2-CZ 3.69Å; T156-F164 WeakPolarHBondContact OG1-CE2 3.27Å; L158-F164 HydrophobicContact CD1-CB 4.39Å; F164-L166 HydrophobicContact CD1-CD2 4.05Å; F164-L166 HydrophobicContact CE1-CD1 3.73Å; F164-L166 HydrophobicContact CE1-CD2 3.88Å; F164-L166 HydrophobicContact CE1-CG 4.3Å; F164-L166 HydrophobicContact CZ-CD1 4.12Å; F164-L170 HydrophobicContact CE1-CD2 4.39Å; F164-L177 HydrophobicContact CD2-CD2 3.66Å; F164-L177 HydrophobicContact CE2-CD2 3.56Å; F164-L177 HydrophobicContact CG-CD2 4.36Å; F164-L177 HydrophobicContact CZ-CD2 4.21Å; F164-I180 HydrophobicContact CE1-CD1 4.48Å; F164-I180 HydrophobicContact CE2-CD1 3.88Å; F164-I180 HydrophobicContact CZ-CD1 3.45Å; F164-I180 VanDerWaalsContact CZ-CD1 3.45Å; F164-F228 AromaticContact CD1-CE1 3.92Å; F164-F228 HydrophobicContact CD1-CE1 3.92Å; F164-F228 AromaticContact CE1-CE1 3.93Å; F164-F228 HydrophobicContact CE1-CE1 3.93Å; F164-F228 HydrophobicContact CE1-CZ 4.22Å; F164-L234 HydrophobicContact CB-CD1 3.56Å; F164-L234 HydrophobicContact CB-CD2 4.01Å; F164-L234 HydrophobicContact CB-CG 4.34Å; F164-L234 HydrophobicContact CD1-CD1 4.38Å; F164-L234 HydrophobicContact CG-CD1 4.08Å; F164-L236 PolarHBondContact N-O 3.48Å; F164-V237 HydrophobicContact CD1-CG1 4.21Å; F164-V237 HydrophobicContact CD1-CG2 4.3Å; F164-V237 CarbonylContact O-C 3.01Å; F164-V237 WeakPolarHBondContact O-CA 3.45Å; F164-S238 PolarHBondContact O-N 2.8Å
165C99Very high98.6Very high0 Ų020.1 Ų20.10%012%0.121CC..EExtended strand (participates in β ladder)trans-109.3133.3-176.4-58.80000111.4L81 M83 L114 T156 A157 S238L81-C165 HydrophobicContact CD1-CB 4Å; L81-C165 HydrophobicContact CD2-CB 4.03Å; M83-C165 HydrophobicContact CG-CB 4.49Å; M83-C165 HydrophobicContact SD-CB 4.18Å; L114-C165 HydrophobicContact CD1-CB 4.38Å; T156-C165 CarbonylContact C-O 3.58Å; T156-C165 VanDerWaalsContact CA-O 3.23Å; T156-C165 WeakPolarHBondContact CA-O 3.47Å; T156-C165 WeakPolarHBondContact CB-O 3.41Å; A157-C165 HydrophobicContact CB-CB 4.26Å; A157-C165 PolarHBondContact N-O 2.94Å; A157-C165 PolarHBondContact O-N 3.44Å; C165-S238 VanDerWaalsContact CA-O 3.23Å; C165-S238 WeakPolarHBondContact CA-O 3.46Å
166L98.9Very high98.6Very high0 Ų021.4 Ų21.40%013%0.13CC..EExtended strand (participates in β ladder)trans-157.7165.2176.372.5177.6000110.7T156 F164 G169 L198 V237 S238 R239T156-L166 HydrophobicContact CG2-CB 3.81Å; T156-L166 HydrophobicContact CG2-CD1 4.49Å; F164-L166 HydrophobicContact CD1-CD2 4.05Å; F164-L166 HydrophobicContact CE1-CD1 3.73Å; F164-L166 HydrophobicContact CE1-CD2 3.88Å; F164-L166 HydrophobicContact CE1-CG 4.3Å; F164-L166 HydrophobicContact CZ-CD1 4.12Å; L166-G169 VanDerWaalsContact CD1-O 3.26Å; L166-G169 WeakPolarHBondContact CD1-O 3.26Å; L166-L198 HydrophobicContact CD1-CD2 3.67Å; L166-V237 HydrophobicContact CD2-CG1 3.52Å; L166-S238 PolarHBondContact N-O 3.28Å; L166-S238 VanDerWaalsContact N-O 3.14Å; L166-R239 HydrophobicContact CD2-CB 3.92Å; L166-R239 WeakPolarHBondContact O-CA 3.41Å; L166-R239 WeakPolarHBondContact O-CB 3.21Å
167H98.9Very high98.6Very high0 Ų022 Ų220%013%0.133CC..SBendtrans-70.8-63.4179.2-169.156.8000112.8D57 M83 D85 R115 G116 N117 L199 R239 A240 H241D57-H167 IonicContact OD1-CE1 3.54Å; D57-H167 PolarHBondContact OD1-CE1 3.12Å; D57-H167 IonicContact OD2-CE1 3.11Å; M83-H167 WeakPolarHBondContact O-CA 3.45Å; M83-H167 WeakPolarHBondContact O-CB 3.09Å; M83-H167 PolarHBondContact O-ND1 3.2Å; D85-H167 IonicContact OD1-CD2 3.64Å; D85-H167 IonicContact OD1-CE1 3.01Å; D85-H167 IonicContact OD1-NE2 2.65Å; D85-H167 PolarHBondContact OD1-NE2 2.8Å; D85-H167 VanDerWaalsContact OD1-NE2 3.11Å; D85-H167 IonicContact OD2-CE1 3.85Å; D85-H167 PolarHBondContact OD2-CE1 3.03Å; D85-H167 IonicContact OD2-NE2 3.78Å; D85-H167 PolarHBondContact OD2-NE2 3.27Å; R115-H167 WeakPolarHBondContact O-CB 3.35Å; G116-H167 VanDerWaalsContact CA-CD2 3.47Å; G116-H167 WeakPolarHBondContact CA-CD2 3.47Å; G116-H167 VanDerWaalsContact CA-CG 3.5Å; N117-H167 PolarHBondContact N-CD2 2.92Å; N117-H167 VanDerWaalsContact N-CD2 3.28Å; N117-H167 PolarHBondContact OD1-CD2 3.01Å; N117-H167 PolarHBondContact OD1-NE2 2.98Å; H167-L199 HydrophobicContact CB-CD2 4.26Å; H167-L199 PolarHBondContact CD2-O 3.01Å; H167-R239 PolarHBondContact O-NE 2.92Å; H167-A240 CarbonylContact O-C 3.54Å; H167-A240 PolarHBondContact O-N 2.63Å; H167-H241 AromaticContact CD2-ND1 3.76Å; H167-H241 AromaticContact NE2-CG 3.82Å; H167-H241 AromaticContact NE2-ND1 3.38Å; H167-H241 PolarHBondContact NE2-ND1 3.41Å; H167-H241 WeakPolarHBondContact O-CB 3.28Å
168G98.8Very high98.6Very high0 Ų027 Ų270%016%0.16CC..SBendtrans-82.3-104.3-174.800000110.9L198 S201 R239G168-L198 WeakPolarHBondContact CA-O 3.08Å; G168-L198 PolarHBondContact N-O 3.02Å; G168-S201 CarbonylContact C-O 3.54Å; G168-R239 VanDerWaalsContact C-NH2 3.35Å; G168-R239 WeakPolarHBondContact O-CB 3.22Å; G168-R239 PolarHBondContact O-NE 3.48Å; G168-R239 PolarHBondContact O-NH2 2.84Å
169G98.8Very high98.5Very high0 Ų030.6 Ų30.60%018%0.176CC..  trans-171.2-159.4-173.500000113.7L166 L198 S201L166-G169 VanDerWaalsContact CD1-O 3.26Å; L166-G169 WeakPolarHBondContact CD1-O 3.26Å; G169-L198 PolarHBondContact N-O 2.65Å; G169-L198 WeakPolarHBondContact O-CA 3.33Å; G169-S201 PolarHBondContact N-O 2.84Å
170L98.8Very high98.6Very high2 Ų230.6 Ų30.61%0.0118%0.176CC..  trans-75157.8-174.1-53.9-178000111.4F164 S201 W209 F220 I224 F228 V237F164-L170 HydrophobicContact CE1-CD2 4.39Å; L170-S201 WeakPolarHBondContact O-CB 3.46Å; L170-S201 PolarHBondContact O-OG 2.83Å; L170-W209 HydrophobicContact CB-CH2 3.76Å; L170-W209 HydrophobicContact CB-CZ3 4.24Å; L170-F220 HydrophobicContact CB-CD1 4.23Å; L170-F220 HydrophobicContact CB-CD2 4.35Å; L170-F220 HydrophobicContact CB-CE1 4.47Å; L170-F220 HydrophobicContact CB-CG 4.18Å; L170-F220 HydrophobicContact CD1-CD2 3.99Å; L170-F220 HydrophobicContact CD1-CE2 4.11Å; L170-F220 HydrophobicContact CG-CD2 4.18Å; L170-F220 HydrophobicContact CG-CE2 4.05Å; L170-F220 HydrophobicContact CG-CG 4.49Å; L170-F220 HydrophobicContact CG-CZ 4.26Å; L170-I224 HydrophobicContact CD1-CG2 4.05Å; L170-F228 HydrophobicContact CD1-CB 3.79Å; L170-F228 HydrophobicContact CD1-CD1 4.39Å; L170-F228 HydrophobicContact CD1-CG 4.07Å; L170-F228 HydrophobicContact CD2-CD1 3.7Å; L170-F228 HydrophobicContact CD2-CD2 4.29Å; L170-F228 HydrophobicContact CD2-CE1 3.88Å; L170-F228 HydrophobicContact CD2-CE2 4.46Å; L170-F228 HydrophobicContact CD2-CG 3.91Å; L170-F228 HydrophobicContact CD2-CZ 4.27Å; L170-V237 HydrophobicContact CD2-CG2 4.45Å
171S98.8Very high98.6Very high2 Ų231.9 Ų31.91%0.01418%0.176CC..  trans-123.3138.7178.8174.60000110.7S173 I174 D197 W209S171-S173 PolarHBondContact O-N 2.89Å; S171-S173 VanDerWaalsContact O-N 3.14Å; S171-S173 PolarHBondContact OG-N 3.49Å; S171-I174 PolarHBondContact O-N 2.84Å; S171-I174 VanDerWaalsContact O-N 3.13Å; S171-D197 VanDerWaalsContact CB-CB 3.41Å; S171-D197 WeakPolarHBondContact CB-OD2 3.28Å; S171-D197 PolarHBondContact OG-OD2 2.67Å; S171-W209 WeakPolarHBondContact O-CH2 3.48Å
172P98.4Very high98.6Very high47 Ų4734.2 Ų34.231%0.30519%0.192SC..THydrogen-bonded Turntrans-66.2-10.4171.128.4-34.7000113.2W209 Y218P172-W209 VanDerWaalsContact CA-CZ2 3.49Å; P172-W209 HydrophobicContact CB-CD2 3.93Å; P172-W209 HydrophobicContact CB-CE3 4.38Å; P172-W209 HydrophobicContact CB-CG 4.28Å; P172-W209 HydrophobicContact CB-CH2 4.49Å; P172-W209 HydrophobicContact CB-CZ2 4.05Å; P172-W209 HydrophobicContact CG-CD2 4.45Å; P172-W209 HydrophobicContact CG-CE3 4.47Å; P172-W209 VanDerWaalsContact N-CH2 3.31Å; P172-Y218 VanDerWaalsContact CD-CD2 3.46Å; P172-Y218 HydrophobicContact CG-CD1 4.26Å; P172-Y218 HydrophobicContact CG-CD2 3.66Å; P172-Y218 HydrophobicContact CG-CE1 4.14Å; P172-Y218 HydrophobicContact CG-CE2 3.54Å; P172-Y218 HydrophobicContact CG-CG 4.03Å
173S98Very high98.7Very high67 Ų6732.1 Ų32.147%0.46918%0.184SC..THydrogen-bonded Turntrans-93.51.6176.5-55.50000113S171S171-S173 PolarHBondContact O-N 2.89Å; S171-S173 VanDerWaalsContact O-N 3.14Å; S171-S173 PolarHBondContact OG-N 3.49Å
174I98.5Very high98.7Very high6 Ų636.9 Ų36.93%0.03121%0.209CC..  trans-134.7100.9-170.5-55.3179.2000110.1S171 S176 H179 I180 L183 P194 L198 F228S171-I174 PolarHBondContact O-N 2.84Å; S171-I174 VanDerWaalsContact O-N 3.13Å; I174-S176 WeakPolarHBondContact CG2-O 3.18Å; I174-H179 HydrophobicContact CG2-CB 4.08Å; I174-I180 HydrophobicContact CD1-CG1 4.1Å; I174-I180 HydrophobicContact CG2-CD1 3.93Å; I174-I180 HydrophobicContact CG2-CG1 3.42Å; I174-I180 VanDerWaalsContact CG2-CG1 3.42Å; I174-L183 HydrophobicContact CD1-CD1 4.48Å; I174-P194 HydrophobicContact CD1-CB 3.59Å; I174-P194 HydrophobicContact CG1-CB 3.68Å; I174-L198 HydrophobicContact CD1-CD1 3.74Å; I174-L198 HydrophobicContact CD1-CD2 3.91Å; I174-L198 HydrophobicContact CD1-CG 3.7Å; I174-F228 HydrophobicContact CG2-CE2 4.29Å
175D98.1Very high98.7Very high106 Ų10637.6 Ų37.657%0.56721%0.212SC*.SBendtrans-90.5-26.2173.8-54-52.3000113H179 N232D175-H179 PolarHBondContact N-ND1 3.03Å; D175-H179 IonicContact OD2-CE1 3.82Å; D175-N232 PolarHBondContact O-ND2 2.63Å
176S98.5Very high98.6Very high28 Ų2841.7 Ų41.720%0.19623%0.233CC..SBendtrans-132.2154.9-173.7710000113.7I174 D178 H179 N232I174-S176 WeakPolarHBondContact CG2-O 3.18Å; S176-D178 PolarHBondContact O-N 3.03Å; S176-H179 WeakPolarHBondContact O-CB 3.5Å; S176-H179 PolarHBondContact O-N 3.43Å; S176-H179 VanDerWaalsContact O-N 3.1Å; S176-H179 PolarHBondContact OG-CD2 3.36Å; S176-H179 PolarHBondContact OG-N 2.83Å; S176-N232 WeakPolarHBondContact CA-OD1 3.45Å
177L98.8Very high98.6Very high13 Ų1345.9 Ų45.97%0.06825%0.253CS..Hα-helixtrans-58-29.2171.5-63.3-179.8000112.4L158 F164 I180 R181 F228 N232 L234L158-L177 HydrophobicContact CD1-CD1 4.28Å; L158-L177 HydrophobicContact CD2-CD1 3.82Å; F164-L177 HydrophobicContact CD2-CD2 3.66Å; F164-L177 HydrophobicContact CE2-CD2 3.56Å; F164-L177 HydrophobicContact CG-CD2 4.36Å; F164-L177 HydrophobicContact CZ-CD2 4.21Å; L177-I180 HydrophobicContact CD2-CD1 4.26Å; L177-I180 WeakPolarHBondContact O-CB 3.49Å; L177-I180 PolarHBondContact O-N 2.93Å; L177-R181 WeakPolarHBondContact O-CG 3.42Å; L177-R181 PolarHBondContact O-N 2.96Å; L177-F228 HydrophobicContact CD2-CZ 4.31Å; L177-N232 HydrophobicContact CD1-CB 4.45Å; L177-N232 HydrophobicContact CG-CB 4.16Å; L177-N232 PolarHBondContact N-OD1 2.9Å; L177-L234 HydrophobicContact CD1-CD2 4.43Å
178D98.7Very high98.6Very high104 Ų10448 Ų4856%0.55626%0.262SS*.Hα-helixtrans-70.2-31.1177.6-70.9-25.8000112.7S176 I180 R181 A182S176-D178 PolarHBondContact O-N 3.03Å; D178-I180 PolarHBondContact O-N 3.46Å; D178-R181 PolarHBondContact O-N 3.27Å; D178-R181 IonicContact OD1-CZ 3.31Å; D178-R181 IonicContact OD1-NH1 3.39Å; D178-R181 PolarHBondContact OD1-NH1 3.31Å; D178-A182 WeakPolarHBondContact O-CB 3.49Å; D178-A182 PolarHBondContact O-N 2.93Å; D178-A182 VanDerWaalsContact O-N 3.08Å
179H98.7Very high98.6Very high83 Ų8348.5 Ų48.538%0.38427%0.266SS..Hα-helixtrans-60.7-37.7170.6-65177.8000111I174 D175 S176 A182I174-H179 HydrophobicContact CG2-CB 4.08Å; D175-H179 PolarHBondContact N-ND1 3.03Å; D175-H179 IonicContact OD2-CE1 3.82Å; S176-H179 WeakPolarHBondContact O-CB 3.5Å; S176-H179 PolarHBondContact O-N 3.43Å; S176-H179 VanDerWaalsContact O-N 3.1Å; S176-H179 PolarHBondContact OG-CD2 3.36Å; S176-H179 PolarHBondContact OG-N 2.83Å; H179-A182 PolarHBondContact O-N 2.86Å
180I98.8Very high98.6Very high0 Ų050.4 Ų50.40%028%0.278CS..Hα-helixtrans-69.2-45.6176.8-51.2179.7000110.7N44 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 3.27Å; V45-I180 HydrophobicContact CG2-CB 3.66Å; V45-I180 HydrophobicContact CG2-CG2 3.63Å; T156-I180 HydrophobicContact CG2-CD1 4.37Å; T156-I180 HydrophobicContact CG2-CG2 4.11Å; F164-I180 HydrophobicContact CE1-CD1 4.48Å; F164-I180 HydrophobicContact CE2-CD1 3.88Å; F164-I180 HydrophobicContact CZ-CD1 3.45Å; F164-I180 VanDerWaalsContact CZ-CD1 3.45Å; I174-I180 HydrophobicContact CD1-CG1 4.1Å; I174-I180 HydrophobicContact CG2-CD1 3.93Å; I174-I180 HydrophobicContact CG2-CG1 3.42Å; I174-I180 VanDerWaalsContact CG2-CG1 3.42Å; L177-I180 HydrophobicContact CD2-CD1 4.26Å; L177-I180 WeakPolarHBondContact O-CB 3.49Å; L177-I180 PolarHBondContact O-N 2.93Å; D178-I180 PolarHBondContact O-N 3.46Å; I180-A182 PolarHBondContact O-N 2.84Å; I180-L183 PolarHBondContact O-N 3.1Å; I180-L183 VanDerWaalsContact O-N 3.14Å; I180-L198 HydrophobicContact CD1-CD2 4.08Å; I180-L198 HydrophobicContact CG1-CD1 4.39Å; I180-L198 HydrophobicContact CG2-CD1 3.88Å
181R98.7Very high98.5Very high91 Ų9156.8 Ų56.834%0.34331%0.308SS..Hα-helixtrans-57.4-30.5177.2-69.5-177.2-176.8102.83.4112.6V45 E47 L177 D178V45-R181 HydrophobicContact CB-CG 3.99Å; V45-R181 HydrophobicContact CG2-CG 3.7Å; E47-R181 IonicContact OE1-NH2 2.74Å; E47-R181 PolarHBondContact OE1-NH2 3.4Å; L177-R181 WeakPolarHBondContact O-CG 3.42Å; L177-R181 PolarHBondContact O-N 2.96Å; D178-R181 PolarHBondContact O-N 3.27Å; D178-R181 IonicContact OD1-CZ 3.31Å; D178-R181 IonicContact OD1-NH1 3.39Å; D178-R181 PolarHBondContact OD1-NH1 3.31Å
182A98.6Very high98.4Very high84 Ų8464.5 Ų64.569%0.69434%0.343SS*.THydrogen-bonded Turntrans-81.3-12.7-178.900000114.9D178 H179 I180D178-A182 WeakPolarHBondContact O-CB 3.49Å; D178-A182 PolarHBondContact O-N 2.93Å; D178-A182 VanDerWaalsContact O-N 3.08Å; H179-A182 PolarHBondContact O-N 2.86Å; I180-A182 PolarHBondContact O-N 2.84Å
183L98.7Very high98.4Very high39 Ų3963.4 Ų63.420%0.20434%0.341CS..SBendtrans-65.3144.5179.2-60.7176.8000111.4N44 L155 I174 I180 R185 P194 M195 L198N44-L183 PolarHBondContact ND2-O 2.9Å; L155-L183 HydrophobicContact CD1-CD1 4.02Å; I174-L183 HydrophobicContact CD1-CD1 4.48Å; I180-L183 PolarHBondContact O-N 3.1Å; I180-L183 VanDerWaalsContact O-N 3.14Å; L183-R185 PolarHBondContact O-N 3.48Å; L183-P194 HydrophobicContact CD1-CB 4.12Å; L183-P194 HydrophobicContact CD1-CG 4.47Å; L183-P194 HydrophobicContact CD2-CB 4.01Å; L183-P194 HydrophobicContact CD2-CG 3.58Å; L183-M195 HydrophobicContact CD1-CB 4.49Å; L183-L198 HydrophobicContact CD1-CD1 3.96Å
184D98.6Very high98.4Very high102 Ų10262 Ų6255%0.54533%0.33SS..  trans-86.5101.6164.7-176.47.3000109L186 Q187D184-L186 VanDerWaalsContact C-N 3.34Å; D184-L186 PolarHBondContact OD1-N 2.84Å; D184-L186 VanDerWaalsContact OD1-N 3.11Å; D184-Q187 PolarHBondContact O-NE2 2.98Å
185R98.8Very high98.4Very high15 Ų1562.1 Ų62.16%0.05733%0.33CS..  trans-81.1-13.5-179.874.6169.1-174.4-92.14.5114L39 E42 S43 N44 R115 D151 Y152 L153 L155 L183 Q187L39-R185 PolarHBondContact O-NH2 3.1Å; E42-R185 VanDerWaalsContact O-CZ 3.29Å; E42-R185 PolarHBondContact O-NH1 3.27Å; E42-R185 PolarHBondContact O-NH2 3.5Å; S43-R185 VanDerWaalsContact C-NH1 3.32Å; N44-R185 WeakPolarHBondContact OD1-CD 3.36Å; N44-R185 VanDerWaalsContact OD1-CG 3.26Å; N44-R185 WeakPolarHBondContact OD1-CG 3.32Å; N44-R185 PolarHBondContact OD1-NH1 3.47Å; R115-R185 PolarHBondContact NH1-O 2.93Å; D151-R185 VanDerWaalsContact O-O 3.08Å; Y152-R185 PolarHBondContact O-NE 2.96Å; Y152-R185 PolarHBondContact O-NH2 2.91Å; L153-R185 WeakPolarHBondContact O-CD 3.4Å; L153-R185 PolarHBondContact O-NE 2.86Å; L155-R185 HydrophobicContact CD1-CB 4.06Å; L155-R185 HydrophobicContact CD2-CB 4.17Å; L155-R185 HydrophobicContact CG-CB 3.99Å; L183-R185 PolarHBondContact O-N 3.48Å; R185-Q187 PolarHBondContact O-N 2.83Å
186L98.7Very high98.5Very high87 Ų8757 Ų5746%0.45530%0.303SS..SBendtrans-77.952.7-170.6-60.9-178.1000112.1D151 Y152 D184D151-L186 WeakPolarHBondContact O-CD2 3.3Å; Y152-L186 HydrophobicContact CD1-CD2 3.64Å; Y152-L186 HydrophobicContact CD2-CD2 4.46Å; Y152-L186 HydrophobicContact CE1-CD2 3.93Å; Y152-L186 HydrophobicContact CG-CD2 3.93Å; D184-L186 VanDerWaalsContact C-N 3.34Å; D184-L186 PolarHBondContact OD1-N 2.84Å; D184-L186 VanDerWaalsContact OD1-N 3.11Å
187Q98.7Very high98.5Very high87 Ų8755.9 Ų55.941%0.40730%0.295SS..SBendtrans-150.5166-178.459.7-175.9-57.300109.8R115 D151 D184 R185 M195R115-Q187 PolarHBondContact NH1-O 2.8Å; D151-Q187 VanDerWaalsContact OD1-O 3.12Å; D184-Q187 PolarHBondContact O-NE2 2.98Å; R185-Q187 PolarHBondContact O-N 2.83Å; Q187-M195 HydrophobicContact CG-SD 4.11Å
188E98.6Very high98.5Very high44 Ų4455.4 Ų55.421%0.20629%0.292CS..PPolyproline II helixtrans-58.6146166.7-179.264.8-170.200110.1S120 R121 Q122 P190S120-E188 WeakPolarHBondContact CB-OE1 3.38Å; R121-E188 WeakPolarHBondContact CB-OE2 3.24Å; R121-E188 WeakPolarHBondContact CD-OE2 3.45Å; R121-E188 VanDerWaalsContact CG-OE2 3.31Å; R121-E188 WeakPolarHBondContact CG-OE2 3.36Å; R121-E188 IonicContact CZ-OE2 3.69Å; R121-E188 PolarHBondContact N-OE1 3.08Å; R121-E188 PolarHBondContact N-OE2 3.05Å; R121-E188 IonicContact NH1-OE2 3.23Å; R121-E188 PolarHBondContact NH1-OE2 2.96Å; Q122-E188 PolarHBondContact N-OE1 3.13Å; E188-P190 VanDerWaalsContact O-CD 3.23Å; E188-P190 WeakPolarHBondContact O-CD 3.17Å; E188-P190 VanDerWaalsContact O-N 3.17Å
189V98.5Very high98.5Very high11 Ų1150.4 Ų50.47%0.06727%0.266CS..PPolyproline II helixtrans-57.7119.6176.4-177.50000109.5M195 L199V189-M195 HydrophobicContact CG2-CE 4.28Å; V189-L199 HydrophobicContact CB-CD1 4.45Å; V189-L199 HydrophobicContact CG1-CD1 3.93Å; V189-L199 HydrophobicContact CG2-CD1 3.61Å
190P98.3Very high98.5Very high40 Ų4048.3 Ų48.326%0.2625%0.254SS..PPolyproline II helixtrans-64.8161.1176.7-22.434.8000112E188 E192 C196E188-P190 VanDerWaalsContact O-CD 3.23Å; E188-P190 WeakPolarHBondContact O-CD 3.17Å; E188-P190 VanDerWaalsContact O-N 3.17Å; P190-E192 VanDerWaalsContact C-N 3.3Å; P190-E192 WeakPolarHBondContact CB-O 2.95Å; P190-C196 WeakPolarHBondContact O-CB 3.45Å
191H96.5Very high98.5Very high137 Ų13748.3 Ų48.363%0.63425%0.254SS*.SBendtrans-74.9-18.9173.8-67-74.4000113.9Q122Q122-H191 PolarHBondContact NE2-CE1 3.2Å; Q122-H191 VanDerWaalsContact NE2-CE1 3.35Å; Q122-H191 PolarHBondContact NE2-NE2 3.17Å; Q122-H191 PolarHBondContact OE1-CE1 2.93Å
192E97.6Very high98.5Very high163 Ų16344.2 Ų44.276%0.76224%0.239SC*.SBendtrans-151.1163.6-179.963.2-179.8-170.800110.9P190P190-E192 VanDerWaalsContact C-N 3.3Å; P190-E192 WeakPolarHBondContact CB-O 2.95Å
193G98.2Very high98.5Very high24 Ų2441 Ų4125%0.24721%0.211CC..SBendtrans98.7180176.600000113.9M195 C196 D197G193-M195 VanDerWaalsContact C-N 3.34Å; G193-M195 PolarHBondContact O-N 2.57Å; G193-C196 WeakPolarHBondContact O-CA 3.12Å; G193-C196 VanDerWaalsContact O-CB 3.29Å; G193-C196 WeakPolarHBondContact O-CB 3.42Å; G193-C196 PolarHBondContact O-N 3.48Å; G193-D197 VanDerWaalsContact O-CG 3.24Å; G193-D197 PolarHBondContact O-N 3.17Å
194P98.6Very high98.5Very high38 Ų3840.5 Ų40.525%0.24721%0.209CC..Hα-helixtrans-58.5-40.5-164.720.2-33.2000114I174 L183 D197 L198I174-P194 HydrophobicContact CD1-CB 3.59Å; I174-P194 HydrophobicContact CG1-CB 3.68Å; L183-P194 HydrophobicContact CD1-CB 4.12Å; L183-P194 HydrophobicContact CD1-CG 4.47Å; L183-P194 HydrophobicContact CD2-CB 4.01Å; L183-P194 HydrophobicContact CD2-CG 3.58Å; P194-D197 PolarHBondContact O-N 2.88Å; P194-L198 VanDerWaalsContact O-CG 3.32Å; P194-L198 WeakPolarHBondContact O-CG 3.24Å; P194-L198 PolarHBondContact O-N 2.8Å; P194-L198 VanDerWaalsContact O-N 3.09Å
195M98.8Very high98.4Very high8 Ų843.4 Ų43.44%0.03923%0.225CC..Hα-helixtrans-67.6-37.6177.6-178.8179.6171.900112.2L155 L183 Q187 V189 G193 L199L155-M195 HydrophobicContact CD1-CB 4.47Å; L155-M195 HydrophobicContact CD1-CG 3.97Å; L155-M195 HydrophobicContact CD2-CE 4.01Å; L155-M195 HydrophobicContact CD2-CG 4.04Å; L183-M195 HydrophobicContact CD1-CB 4.49Å; Q187-M195 HydrophobicContact CG-SD 4.11Å; V189-M195 HydrophobicContact CG2-CE 4.28Å; G193-M195 VanDerWaalsContact C-N 3.34Å; G193-M195 PolarHBondContact O-N 2.57Å; M195-L199 WeakPolarHBondContact O-CG 3.29Å
196C98.7Very high98.3Very high0 Ų049.9 Ų49.90%025%0.249CC..Hα-helixtrans-62.8-49.2174178.20000110.1P190 G193 L198 L199 W200P190-C196 WeakPolarHBondContact O-CB 3.45Å; G193-C196 WeakPolarHBondContact O-CA 3.12Å; G193-C196 VanDerWaalsContact O-CB 3.29Å; G193-C196 WeakPolarHBondContact O-CB 3.42Å; G193-C196 PolarHBondContact O-N 3.48Å; C196-L198 PolarHBondContact O-N 3.48Å; C196-L199 CarbonylContact O-C 3.5Å; C196-L199 PolarHBondContact O-N 3.21Å; C196-W200 WeakPolarHBondContact O-CB 3.28Å; C196-W200 VanDerWaalsContact O-CD1 3.29Å; C196-W200 PolarHBondContact O-N 2.86Å
197D98.8Very high98.2Very high3 Ų348.7 Ų48.72%0.01626%0.258CS..Hα-helixtrans-59.7-42.8-176.8-60.3-22.5000112.3S171 G193 P194 L199 W200 S201 G217 Y218S171-D197 VanDerWaalsContact CB-CB 3.41Å; S171-D197 WeakPolarHBondContact CB-OD2 3.28Å; S171-D197 PolarHBondContact OG-OD2 2.67Å; G193-D197 VanDerWaalsContact O-CG 3.24Å; G193-D197 PolarHBondContact O-N 3.17Å; P194-D197 PolarHBondContact O-N 2.88Å; D197-L199 PolarHBondContact O-N 3.11Å; D197-W200 PolarHBondContact O-N 3.39Å; D197-S201 WeakPolarHBondContact O-CB 3.4Å; D197-S201 PolarHBondContact O-N 2.84Å; D197-S201 PolarHBondContact O-OG 3.38Å; D197-G217 WeakPolarHBondContact OD1-CA 3.43Å; D197-Y218 WeakPolarHBondContact OD1-CD2 3.45Å
198L98.9Very high98.2Very high3 Ų345.4 Ų45.42%0.01625%0.247CC..Hα-helixtrans-56.7-25.6176.1-72.8171.4000113.3L155 T156 L166 G168 G169 I174 I180 L183 P194 C196L155-L198 HydrophobicContact CB-CD1 4.35Å; L155-L198 HydrophobicContact CD1-CD1 4.08Å; T156-L198 HydrophobicContact CG2-CD1 4.29Å; T156-L198 HydrophobicContact CG2-CD2 4.13Å; L166-L198 HydrophobicContact CD1-CD2 3.67Å; G168-L198 WeakPolarHBondContact CA-O 3.08Å; G168-L198 PolarHBondContact N-O 3.02Å; G169-L198 PolarHBondContact N-O 2.65Å; G169-L198 WeakPolarHBondContact O-CA 3.33Å; I174-L198 HydrophobicContact CD1-CD1 3.74Å; I174-L198 HydrophobicContact CD1-CD2 3.91Å; I174-L198 HydrophobicContact CD1-CG 3.7Å; I180-L198 HydrophobicContact CD1-CD2 4.08Å; I180-L198 HydrophobicContact CG1-CD1 4.39Å; I180-L198 HydrophobicContact CG2-CD1 3.88Å; L183-L198 HydrophobicContact CD1-CD1 3.96Å; P194-L198 VanDerWaalsContact O-CG 3.32Å; P194-L198 WeakPolarHBondContact O-CG 3.24Å; P194-L198 PolarHBondContact O-N 2.8Å; P194-L198 VanDerWaalsContact O-N 3.09Å; C196-L198 PolarHBondContact O-N 3.48Å
199L98.8Very high98.2Very high0 Ų048 Ų480%026%0.255CS..Hα-helixtrans-103.3-16.9-177.5-55.4-176.7000113.4R115 N117 H167 V189 M195 C196 D197R115-L199 HydrophobicContact CB-CD2 4.33Å; R115-L199 HydrophobicContact CG-CD1 4.3Å; R115-L199 WeakPolarHBondContact O-CD2 3.43Å; N117-L199 HydrophobicContact CB-CB 4.31Å; H167-L199 HydrophobicContact CB-CD2 4.26Å; H167-L199 PolarHBondContact CD2-O 3.01Å; V189-L199 HydrophobicContact CB-CD1 4.45Å; V189-L199 HydrophobicContact CG1-CD1 3.93Å; V189-L199 HydrophobicContact CG2-CD1 3.61Å; M195-L199 WeakPolarHBondContact O-CG 3.29Å; C196-L199 CarbonylContact O-C 3.5Å; C196-L199 PolarHBondContact O-N 3.21Å; D197-L199 PolarHBondContact O-N 3.11Å
200W98.8Very high98.2Very high38 Ų3848.4 Ų48.414%0.14426%0.261CS..Hα-helixtrans-125.3-18.3-170.7-76.393.7000115.7N117 I123 C196 D197 R214 A216N117-W200 HydrophobicContact CB-CD2 3.97Å; N117-W200 HydrophobicContact CB-CG 4.3Å; N117-W200 HydrophobicContact CB-CH2 4.5Å; N117-W200 HydrophobicContact CB-CZ2 3.82Å; N117-W200 WeakPolarHBondContact ND2-CH2 3.38Å; I123-W200 HydrophobicContact CD1-CH2 3.92Å; I123-W200 HydrophobicContact CD1-CZ2 3.77Å; I123-W200 HydrophobicContact CG1-CZ2 4.07Å; C196-W200 WeakPolarHBondContact O-CB 3.28Å; C196-W200 VanDerWaalsContact O-CD1 3.29Å; C196-W200 PolarHBondContact O-N 2.86Å; D197-W200 PolarHBondContact O-N 3.39Å; W200-R214 HydrophobicContact CE3-CB 4.24Å; W200-R214 HydrophobicContact CZ3-CB 4.32Å; W200-A216 HydrophobicContact CB-CB 4.18Å; W200-A216 HydrophobicContact CD2-CB 3.82Å; W200-A216 HydrophobicContact CE3-CB 4.11Å; W200-A216 HydrophobicContact CG-CB 3.87Å
201S98.8Very high98.1Very high0 Ų053.7 Ų53.70%029%0.286CS..  trans-69.9150.8-177-71.40000112.5G168 G169 L170 D197 Y218 R239G168-S201 CarbonylContact C-O 3.54Å; G169-S201 PolarHBondContact N-O 2.84Å; L170-S201 WeakPolarHBondContact O-CB 3.46Å; L170-S201 PolarHBondContact O-OG 2.83Å; D197-S201 WeakPolarHBondContact O-CB 3.4Å; D197-S201 PolarHBondContact O-N 2.84Å; D197-S201 PolarHBondContact O-OG 3.38Å; S201-Y218 CarbonylContact C-O 3.6Å; S201-Y218 WeakPolarHBondContact CA-O 3.42Å; S201-Y218 WeakPolarHBondContact CB-O 3.48Å; S201-Y218 PolarHBondContact OG-N 3.41Å; S201-Y218 PolarHBondContact OG-O 3.35Å; S201-R239 PolarHBondContact O-NH2 3.47Å
202D98.8Very high98.2Very high5 Ų547.5 Ų47.53%0.02726%0.258CS..EExtended strand (participates in β ladder)trans-128.5142.4-176.2-83.8-31.4000113.1R214 Y218 T219 F220 R239 H241 Q242D202-R214 IonicContact OD1-NH2 3.74Å; D202-R214 IonicContact OD2-CZ 3.21Å; D202-R214 IonicContact OD2-NE 2.69Å; D202-R214 PolarHBondContact OD2-NE 3.31Å; D202-R214 IonicContact OD2-NH2 2.84Å; D202-R214 PolarHBondContact OD2-NH2 3.23Å; D202-Y218 PolarHBondContact N-O 2.91Å; D202-T219 CarbonylContact O-C 3.47Å; D202-T219 WeakPolarHBondContact O-CA 3.21Å; D202-F220 WeakPolarHBondContact O-CD1 3.24Å; D202-F220 WeakPolarHBondContact O-CE1 3.22Å; D202-F220 PolarHBondContact O-N 3.5Å; D202-R239 IonicContact OD1-CZ 2.63Å; D202-R239 IonicContact OD1-NH1 2.67Å; D202-R239 PolarHBondContact OD1-NH1 3.47Å; D202-R239 IonicContact OD1-NH2 3.51Å; D202-R239 PolarHBondContact OD1-NH2 3.22Å; D202-H241 IonicContact OD1-CD2 3.59Å; D202-H241 PolarHBondContact OD1-CD2 2.94Å; D202-H241 VanDerWaalsContact OD1-CD2 3.31Å; D202-Q242 WeakPolarHBondContact OD1-CG 3.23Å; D202-Q242 PolarHBondContact OD1-NE2 3.47Å; D202-Q242 PolarHBondContact OD1-OE1 2.89Å; D202-Q242 PolarHBondContact OD2-NE2 3.19Å; D202-Q242 VanDerWaalsContact OD2-NE2 3.12Å
203P98.7Very high98.1Very high16 Ų1645.1 Ų45.110%0.10426%0.257CS..EExtended strand (participates in β ladder)trans-64.9149.9167.329.2-34.5000110.9F220 H252P203-F220 WeakPolarHBondContact CA-O 3.29Å; P203-F220 HydrophobicContact CB-CE2 3.95Å; P203-F220 HydrophobicContact CB-CZ 3.9Å; P203-F220 HydrophobicContact CG-CZ 4.41Å; P203-F220 VanDerWaalsContact N-CE1 3.35Å; P203-H252 VanDerWaalsContact CB-CE1 3.42Å; P203-H252 WeakPolarHBondContact CB-CE1 3.26Å
204D98.1Very high98Very high30 Ų3049.1 Ų49.116%0.1626%0.264CS..  trans-149.8144.7-174.5-174.5-3.4000111R206 T219 F220 G221 H252D204-R206 PolarHBondContact O-N 3.09Å; D204-R206 PolarHBondContact OD1-N 3.25Å; D204-R206 IonicContact OD1-NE 3.41Å; D204-R206 PolarHBondContact OD1-NE 3.46Å; D204-R206 IonicContact OD2-CZ 3.15Å; D204-R206 IonicContact OD2-NE 2.81Å; D204-R206 PolarHBondContact OD2-NE 2.92Å; D204-R206 IonicContact OD2-NH2 2.68Å; D204-R206 PolarHBondContact OD2-NH2 3.35Å; D204-T219 HydrophobicContact CB-CG2 4.24Å; D204-T219 VanDerWaalsContact OD2-CB 3.26Å; D204-T219 WeakPolarHBondContact OD2-CB 3.17Å; D204-T219 PolarHBondContact OD2-OG1 3.37Å; D204-F220 PolarHBondContact N-O 2.9Å; D204-G221 WeakPolarHBondContact O-CA 3.3Å; D204-H252 PolarHBondContact N-NE2 3.41Å; D204-H252 PolarHBondContact O-NE2 3.4Å; D204-H252 VanDerWaalsContact O-NE2 3.13Å
205D96.5Very high97.9Very high163 Ų16350.8 Ų50.887%0.87229%0.289SS*.SBendtrans-68.6-18.4179.2-65.2-32.8000112
206R96.1Very high97.8Very high150 Ų15051.2 Ų51.257%0.56629%0.293SS*.SBendtrans-76.9129.9174.6-61.9177.4-66.8173.83.4110.2D204 G221D204-R206 PolarHBondContact O-N 3.09Å; D204-R206 PolarHBondContact OD1-N 3.25Å; D204-R206 IonicContact OD1-NE 3.41Å; D204-R206 PolarHBondContact OD1-NE 3.46Å; D204-R206 IonicContact OD2-CZ 3.15Å; D204-R206 IonicContact OD2-NE 2.81Å; D204-R206 PolarHBondContact OD2-NE 2.92Å; D204-R206 IonicContact OD2-NH2 2.68Å; D204-R206 PolarHBondContact OD2-NH2 3.35Å; R206-G221 WeakPolarHBondContact O-CA 3.35Å
207G97.3Very high97.8Very high63 Ų6351.8 Ų51.865%0.64930%0.299SS*.SBendtrans-65.5153.3175.100000113.6D223G207-D223 WeakPolarHBondContact CA-OD1 3.13Å
208G98.5Very high97.8Very high17 Ų1755.9 Ų55.918%0.17532%0.315CS..SBendtrans76.5-158.9-179.200000113.7G221 D223G208-G221 PolarHBondContact O-N 3.22Å; G208-D223 WeakPolarHBondContact CA-OD2 3.37Å; G208-D223 PolarHBondContact N-OD1 3.46Å; G208-D223 PolarHBondContact N-OD2 3.44Å
209W98.6Very high97.8Very high100 Ų10056 Ų5638%0.37932%0.316SS..EExtended strand (participates in β ladder)trans-94.1136.9174.8-62.6104.3000111L170 S171 P172 Y218 T219 F220 I224L170-W209 HydrophobicContact CB-CH2 3.76Å; L170-W209 HydrophobicContact CB-CZ3 4.24Å; S171-W209 WeakPolarHBondContact O-CH2 3.48Å; P172-W209 VanDerWaalsContact CA-CZ2 3.49Å; P172-W209 HydrophobicContact CB-CD2 3.93Å; P172-W209 HydrophobicContact CB-CE3 4.38Å; P172-W209 HydrophobicContact CB-CG 4.28Å; P172-W209 HydrophobicContact CB-CH2 4.49Å; P172-W209 HydrophobicContact CB-CZ2 4.05Å; P172-W209 HydrophobicContact CG-CD2 4.45Å; P172-W209 HydrophobicContact CG-CE3 4.47Å; P172-W209 VanDerWaalsContact N-CH2 3.31Å; W209-Y218 HydrophobicContact CE3-CG 4.48Å; W209-T219 CarbonylContact C-O 3.56Å; W209-T219 WeakPolarHBondContact CA-O 3.48Å; W209-F220 HydrophobicContact CE3-CB 3.76Å; W209-F220 HydrophobicContact CH2-CB 4.24Å; W209-F220 HydrophobicContact CZ3-CB 3.55Å; W209-F220 HydrophobicContact CZ3-CG 4.37Å; W209-I224 HydrophobicContact CD2-CD1 4.42Å; W209-I224 HydrophobicContact CD2-CG1 4.3Å; W209-I224 HydrophobicContact CD2-CG2 4.41Å; W209-I224 HydrophobicContact CG-CD1 4.43Å; W209-I224 HydrophobicContact CH2-CG2 3.46Å; W209-I224 VanDerWaalsContact CH2-CG2 3.46Å; W209-I224 HydrophobicContact CZ2-CB 4.48Å; W209-I224 HydrophobicContact CZ2-CD1 4.41Å; W209-I224 HydrophobicContact CZ2-CG1 4.45Å; W209-I224 HydrophobicContact CZ2-CG2 3.27Å; W209-I224 HydrophobicContact CZ3-CG2 4.13Å
210G98.2Very high97.8Very high18 Ų1856 Ų5619%0.18632%0.316CS..EExtended strand (participates in β ladder)trans-125.216117300000112.5Y218 T219G210-Y218 CarbonylContact O-C 3.56Å; G210-Y218 WeakPolarHBondContact O-CA 3.38Å; G210-Y218 WeakPolarHBondContact O-CB 3.49Å; G210-Y218 WeakPolarHBondContact O-CD1 3.42Å; G210-T219 VanDerWaalsContact CA-OG1 3.26Å; G210-T219 WeakPolarHBondContact CA-OG1 3.48Å; G210-T219 PolarHBondContact N-O 3.2Å; G210-T219 PolarHBondContact O-N 2.9Å
211I97.6Very high97.8Very high152 Ų15254.2 Ų54.278%0.77931%0.309SS*.EExtended strand (participates in β ladder)trans-74.7129.1173.9-62.2174.3000108.5
212S97.8Very high97.8Very high6 Ų658 Ų584%0.04233%0.327CS..  trans-64.4131.4177.3175.40000111.6R214 G215 A216 G217S212-R214 PolarHBondContact O-N 3.38Å; S212-R214 WeakPolarHBondContact OG-CB 3.4Å; S212-R214 PolarHBondContact OG-N 3.46Å; S212-R214 VanDerWaalsContact OG-N 3.16Å; S212-G215 PolarHBondContact O-N 2.86Å; S212-A216 WeakPolarHBondContact CB-O 3.47Å; S212-A216 PolarHBondContact OG-O 2.98Å; S212-G217 WeakPolarHBondContact CB-O 3.3Å
213P96.5Very high97.8Very high114 Ų11461.1 Ų61.174%0.7434%0.344SS*.THydrogen-bonded Turntrans-68.6-9.4173.330.8-35.4000112.8G215P213-G215 VanDerWaalsContact C-N 3.32Å
214R95.5Very high97.8Very high107 Ų10761.6 Ų61.640%0.40435%0.345SS..THydrogen-bonded Turntrans-79.7-13.1179.1-55.9-176.5-176.3-95.96.7113.7W200 D202 S212 A216 H241W200-R214 HydrophobicContact CE3-CB 4.24Å; W200-R214 HydrophobicContact CZ3-CB 4.32Å; D202-R214 IonicContact OD1-NH2 3.74Å; D202-R214 IonicContact OD2-CZ 3.21Å; D202-R214 IonicContact OD2-NE 2.69Å; D202-R214 PolarHBondContact OD2-NE 3.31Å; D202-R214 IonicContact OD2-NH2 2.84Å; D202-R214 PolarHBondContact OD2-NH2 3.23Å; S212-R214 PolarHBondContact O-N 3.38Å; S212-R214 WeakPolarHBondContact OG-CB 3.4Å; S212-R214 PolarHBondContact OG-N 3.46Å; S212-R214 VanDerWaalsContact OG-N 3.16Å; R214-A216 VanDerWaalsContact C-N 3.33Å; R214-H241 WeakPolarHBondContact CD-NE2 3.32Å; R214-H241 PolarHBondContact NE-NE2 3.49Å
215G96.1Very high97.8Very high74 Ų7460.2 Ų60.276%0.76334%0.338SS*.SBendtrans84.12.8-174.500000114.8S212 P213S212-G215 PolarHBondContact O-N 2.86Å; P213-G215 VanDerWaalsContact C-N 3.32Å
216A97.5Very high97.9Very high17 Ų1755.6 Ų55.614%0.1431%0.311CS..SBendtrans-148.5149.8173.700000109.9W200 S212 R214W200-A216 HydrophobicContact CB-CB 4.18Å; W200-A216 HydrophobicContact CD2-CB 3.82Å; W200-A216 HydrophobicContact CE3-CB 4.11Å; W200-A216 HydrophobicContact CG-CB 3.87Å; S212-A216 WeakPolarHBondContact CB-O 3.47Å; S212-A216 PolarHBondContact OG-O 2.98Å; R214-A216 VanDerWaalsContact C-N 3.33Å
217G98.2Very high98.1Very high12 Ų1252.5 Ų52.512%0.12431%0.309CS..SBendtrans72.6-170.4-174.100000114.1D197 S212D197-G217 WeakPolarHBondContact OD1-CA 3.43Å; S212-G217 WeakPolarHBondContact CB-O 3.3Å
218Y98.6Very high98.1Very high88 Ų8850.2 Ų50.235%0.34528%0.281SS..EExtended strand (participates in β ladder)trans-125.2160.4178.9-68.1-94.6000111P172 D197 S201 D202 W209 G210P172-Y218 VanDerWaalsContact CD-CD2 3.46Å; P172-Y218 HydrophobicContact CG-CD1 4.26Å; P172-Y218 HydrophobicContact CG-CD2 3.66Å; P172-Y218 HydrophobicContact CG-CE1 4.14Å; P172-Y218 HydrophobicContact CG-CE2 3.54Å; P172-Y218 HydrophobicContact CG-CG 4.03Å; D197-Y218 WeakPolarHBondContact OD1-CD2 3.45Å; S201-Y218 CarbonylContact C-O 3.6Å; S201-Y218 WeakPolarHBondContact CA-O 3.42Å; S201-Y218 WeakPolarHBondContact CB-O 3.48Å; S201-Y218 PolarHBondContact OG-N 3.41Å; S201-Y218 PolarHBondContact OG-O 3.35Å; D202-Y218 PolarHBondContact N-O 2.91Å; W209-Y218 HydrophobicContact CE3-CG 4.48Å; G210-Y218 CarbonylContact O-C 3.56Å; G210-Y218 WeakPolarHBondContact O-CA 3.38Å; G210-Y218 WeakPolarHBondContact O-CB 3.49Å; G210-Y218 WeakPolarHBondContact O-CD1 3.42Å
219T98.8Very high98.2Very high7 Ų749.5 Ų49.54%0.04327%0.273CS..EExtended strand (participates in β ladder)trans-89.2146.3156.168.30000110.3D202 D204 W209 G210D202-T219 CarbonylContact O-C 3.47Å; D202-T219 WeakPolarHBondContact O-CA 3.21Å; D204-T219 HydrophobicContact CB-CG2 4.24Å; D204-T219 VanDerWaalsContact OD2-CB 3.26Å; D204-T219 WeakPolarHBondContact OD2-CB 3.17Å; D204-T219 PolarHBondContact OD2-OG1 3.37Å; W209-T219 CarbonylContact C-O 3.56Å; W209-T219 WeakPolarHBondContact CA-O 3.48Å; G210-T219 VanDerWaalsContact CA-OG1 3.26Å; G210-T219 WeakPolarHBondContact CA-OG1 3.48Å; G210-T219 PolarHBondContact N-O 3.2Å; G210-T219 PolarHBondContact O-N 2.9Å
220F98.9Very high98.1Very high0 Ų050.9 Ų50.90%029%0.288CS..EExtended strand (participates in β ladder)trans-132.3133.8178.359.6-87.2000111.2L170 D202 P203 D204 W209 I224 S225 H252 V256L170-F220 HydrophobicContact CB-CD1 4.23Å; L170-F220 HydrophobicContact CB-CD2 4.35Å; L170-F220 HydrophobicContact CB-CE1 4.47Å; L170-F220 HydrophobicContact CB-CG 4.18Å; L170-F220 HydrophobicContact CD1-CD2 3.99Å; L170-F220 HydrophobicContact CD1-CE2 4.11Å; L170-F220 HydrophobicContact CG-CD2 4.18Å; L170-F220 HydrophobicContact CG-CE2 4.05Å; L170-F220 HydrophobicContact CG-CG 4.49Å; L170-F220 HydrophobicContact CG-CZ 4.26Å; D202-F220 WeakPolarHBondContact O-CD1 3.24Å; D202-F220 WeakPolarHBondContact O-CE1 3.22Å; D202-F220 PolarHBondContact O-N 3.5Å; P203-F220 WeakPolarHBondContact CA-O 3.29Å; P203-F220 HydrophobicContact CB-CE2 3.95Å; P203-F220 HydrophobicContact CB-CZ 3.9Å; P203-F220 HydrophobicContact CG-CZ 4.41Å; P203-F220 VanDerWaalsContact N-CE1 3.35Å; D204-F220 PolarHBondContact N-O 2.9Å; W209-F220 HydrophobicContact CE3-CB 3.76Å; W209-F220 HydrophobicContact CH2-CB 4.24Å; W209-F220 HydrophobicContact CZ3-CB 3.55Å; W209-F220 HydrophobicContact CZ3-CG 4.37Å; F220-I224 HydrophobicContact CB-CB 4.1Å; F220-I224 HydrophobicContact CB-CG1 4.4Å; F220-I224 HydrophobicContact CB-CG2 3.96Å; F220-S225 WeakPolarHBondContact CD2-OG 3.47Å; F220-S225 WeakPolarHBondContact CE2-OG 3.42Å; F220-H252 AromaticContact CD2-CE1 3.82Å; F220-H252 AromaticContact CE2-CE1 3.88Å; F220-H252 PolarHBondContact O-CE1 2.57Å; F220-V256 HydrophobicContact CE2-CG2 4.22Å
221G98.7Very high98.2Very high0 Ų054.3 Ų54.30%031%0.306CS..  trans-83.3175.7178.700000114.5D204 R206 G208 D223 I224 S225D204-G221 WeakPolarHBondContact O-CA 3.3Å; R206-G221 WeakPolarHBondContact O-CA 3.35Å; G208-G221 PolarHBondContact O-N 3.22Å; G221-D223 VanDerWaalsContact C-N 3.3Å; G221-D223 PolarHBondContact O-N 2.98Å; G221-I224 WeakPolarHBondContact O-CB 3.47Å; G221-I224 PolarHBondContact O-N 3.44Å; G221-I224 VanDerWaalsContact O-N 3.13Å; G221-S225 PolarHBondContact O-N 3.49Å
222Q98.8Very high98.2Very high80 Ų8048.6 Ų48.637%0.37428%0.277SS..Hα-helixtrans-55.5-41.3177.5174.3172.3-26.100113.4I224 S225 E226 H252Q222-I224 PolarHBondContact O-N 2.98Å; Q222-S225 PolarHBondContact O-N 3.47Å; Q222-S225 VanDerWaalsContact O-N 3.14Å; Q222-E226 HydrophobicContact CG-CG 4.27Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.38Å; Q222-E226 PolarHBondContact NE2-OE1 3.16Å; Q222-E226 WeakPolarHBondContact O-CG 3.39Å; Q222-E226 PolarHBondContact O-N 3.44Å; Q222-H252 HydrophobicContact CB-CB 3.86Å; Q222-H252 HydrophobicContact CG-CB 3.94Å
223D98.7Very high98.2Very high69 Ų6950.9 Ų50.937%0.36930%0.301SS..Hα-helixtrans-59.6-36178.658-56.3000112.5G207 G208 G221 T227G207-D223 WeakPolarHBondContact CA-OD1 3.13Å; G208-D223 WeakPolarHBondContact CA-OD2 3.37Å; G208-D223 PolarHBondContact N-OD1 3.46Å; G208-D223 PolarHBondContact N-OD2 3.44Å; G221-D223 VanDerWaalsContact C-N 3.3Å; G221-D223 PolarHBondContact O-N 2.98Å; D223-T227 VanDerWaalsContact O-CB 3.31Å; D223-T227 WeakPolarHBondContact O-CB 3.22Å; D223-T227 PolarHBondContact O-N 2.87Å; D223-T227 VanDerWaalsContact O-N 3.07Å; D223-T227 PolarHBondContact O-OG1 2.78Å
224I98.8Very high98.4Very high27 Ų2746.1 Ų46.114%0.13827%0.269CS..Hα-helixtrans-69.6-45.2175.9-56.8-53.9000110.6L170 W209 F220 G221 Q222 T227 F228L170-I224 HydrophobicContact CD1-CG2 4.05Å; W209-I224 HydrophobicContact CD2-CD1 4.42Å; W209-I224 HydrophobicContact CD2-CG1 4.3Å; W209-I224 HydrophobicContact CD2-CG2 4.41Å; W209-I224 HydrophobicContact CG-CD1 4.43Å; W209-I224 HydrophobicContact CH2-CG2 3.46Å; W209-I224 VanDerWaalsContact CH2-CG2 3.46Å; W209-I224 HydrophobicContact CZ2-CB 4.48Å; W209-I224 HydrophobicContact CZ2-CD1 4.41Å; W209-I224 HydrophobicContact CZ2-CG1 4.45Å; W209-I224 HydrophobicContact CZ2-CG2 3.27Å; W209-I224 HydrophobicContact CZ3-CG2 4.13Å; F220-I224 HydrophobicContact CB-CB 4.1Å; F220-I224 HydrophobicContact CB-CG1 4.4Å; F220-I224 HydrophobicContact CB-CG2 3.96Å; G221-I224 WeakPolarHBondContact O-CB 3.47Å; G221-I224 PolarHBondContact O-N 3.44Å; G221-I224 VanDerWaalsContact O-N 3.13Å; Q222-I224 PolarHBondContact O-N 2.98Å; I224-T227 PolarHBondContact O-N 3.41Å; I224-F228 WeakPolarHBondContact O-CB 3.48Å; I224-F228 PolarHBondContact O-N 3.42Å
225S98.9Very high98.5Very high0 Ų044.8 Ų44.80%027%0.273CS..Hα-helixtrans-62.8-45.9178.5-60.30000112.7F220 G221 Q222 T227 F228 N229 H252 V256F220-S225 WeakPolarHBondContact CD2-OG 3.47Å; F220-S225 WeakPolarHBondContact CE2-OG 3.42Å; G221-S225 PolarHBondContact O-N 3.49Å; Q222-S225 PolarHBondContact O-N 3.47Å; Q222-S225 VanDerWaalsContact O-N 3.14Å; S225-T227 VanDerWaalsContact C-N 3.34Å; S225-T227 PolarHBondContact O-N 2.93Å; S225-F228 PolarHBondContact O-N 2.82Å; S225-N229 WeakPolarHBondContact O-CB 3.34Å; S225-N229 PolarHBondContact O-N 3.03Å; S225-H252 PolarHBondContact OG-ND1 3.1Å; S225-V256 VanDerWaalsContact OG-CG2 3.24Å; S225-V256 WeakPolarHBondContact OG-CG2 3.36Å
226E98.7Very high98.6Very high66 Ų6641.5 Ų41.531%0.30824%0.238SC..Hα-helixtrans-60.2-45175.9-73.2175.1-174.700111.3Q222 N229 N230 N255Q222-E226 HydrophobicContact CG-CG 4.27Å; Q222-E226 WeakPolarHBondContact CG-OE1 3.38Å; Q222-E226 PolarHBondContact NE2-OE1 3.16Å; Q222-E226 WeakPolarHBondContact O-CG 3.39Å; Q222-E226 PolarHBondContact O-N 3.44Å; E226-N229 PolarHBondContact O-N 2.88Å; E226-N230 VanDerWaalsContact O-CB 3.3Å; E226-N230 WeakPolarHBondContact O-CB 3.46Å; E226-N230 VanDerWaalsContact O-CG 3.24Å; E226-N230 PolarHBondContact O-N 2.66Å; E226-N230 PolarHBondContact O-ND2 3.19Å; E226-N255 WeakPolarHBondContact CG-ND2 3.35Å
227T98.7Very high98.7Very high86 Ų8640.7 Ų40.753%0.52823%0.231SC..Hα-helixtrans-62-46.9179.1-60.50000111.4D223 I224 S225 T231D223-T227 VanDerWaalsContact O-CB 3.31Å; D223-T227 WeakPolarHBondContact O-CB 3.22Å; D223-T227 PolarHBondContact O-N 2.87Å; D223-T227 VanDerWaalsContact O-N 3.07Å; D223-T227 PolarHBondContact O-OG1 2.78Å; I224-T227 PolarHBondContact O-N 3.41Å; S225-T227 VanDerWaalsContact C-N 3.34Å; S225-T227 PolarHBondContact O-N 2.93Å; T227-T231 VanDerWaalsContact O-CB 3.28Å; T227-T231 WeakPolarHBondContact O-CB 3.35Å; T227-T231 PolarHBondContact O-N 2.73Å; T227-T231 PolarHBondContact O-OG1 2.96Å
228F98.9Very high98.7Very high14 Ų1440.1 Ų40.16%0.06123%0.225CC..Hα-helixtrans-64.5-45-179.9-172.4-92.9000111.8F164 L170 I174 L177 I224 S225 T231 N232 L234F164-F228 AromaticContact CD1-CE1 3.92Å; F164-F228 HydrophobicContact CD1-CE1 3.92Å; F164-F228 AromaticContact CE1-CE1 3.93Å; F164-F228 HydrophobicContact CE1-CE1 3.93Å; F164-F228 HydrophobicContact CE1-CZ 4.22Å; L170-F228 HydrophobicContact CD1-CB 3.79Å; L170-F228 HydrophobicContact CD1-CD1 4.39Å; L170-F228 HydrophobicContact CD1-CG 4.07Å; L170-F228 HydrophobicContact CD2-CD1 3.7Å; L170-F228 HydrophobicContact CD2-CD2 4.29Å; L170-F228 HydrophobicContact CD2-CE1 3.88Å; L170-F228 HydrophobicContact CD2-CE2 4.46Å; L170-F228 HydrophobicContact CD2-CG 3.91Å; L170-F228 HydrophobicContact CD2-CZ 4.27Å; I174-F228 HydrophobicContact CG2-CE2 4.29Å; L177-F228 HydrophobicContact CD2-CZ 4.31Å; I224-F228 WeakPolarHBondContact O-CB 3.48Å; I224-F228 PolarHBondContact O-N 3.42Å; S225-F228 PolarHBondContact O-N 2.82Å; F228-T231 PolarHBondContact O-N 2.57Å; F228-N232 WeakPolarHBondContact O-CB 3.49Å; F228-N232 PolarHBondContact O-N 3.3Å; F228-N232 VanDerWaalsContact O-N 3.08Å; F228-N232 PolarHBondContact O-ND2 3.1Å; F228-L234 HydrophobicContact CD1-CD1 3.89Å; F228-L234 HydrophobicContact CE1-CD1 3.63Å
229N98.9Very high98.7Very high2 Ų235.9 Ų35.91%0.01121%0.209CC..Hα-helixtrans-61-49.9178.2-77.9-8.8000111.5S225 E226 T231 N232 G233 L234 V237 N255S225-N229 WeakPolarHBondContact O-CB 3.34Å; S225-N229 PolarHBondContact O-N 3.03Å; E226-N229 PolarHBondContact O-N 2.88Å; N229-T231 VanDerWaalsContact C-N 3.34Å; N229-T231 PolarHBondContact O-N 2.82Å; N229-N232 PolarHBondContact O-N 3.32Å; N229-G233 PolarHBondContact O-N 3.06Å; N229-L234 HydrophobicContact CB-CB 4.25Å; N229-L234 PolarHBondContact O-N 3.01Å; N229-V237 VanDerWaalsContact OD1-CG2 3.23Å; N229-V237 WeakPolarHBondContact OD1-CG2 3.24Å; N229-N255 WeakPolarHBondContact ND2-CB 3.43Å; N229-N255 PolarHBondContact ND2-O 2.95Å; N229-N255 PolarHBondContact ND2-OD1 3.21Å
230N98.6Very high98.7Very high130 Ų13035.6 Ų35.670%0.69521%0.207SC*.Hα-helixtrans-61.1-42.6178.6-74.5-42.4000112.2E226 N232E226-N230 VanDerWaalsContact O-CB 3.3Å; E226-N230 WeakPolarHBondContact O-CB 3.46Å; E226-N230 VanDerWaalsContact O-CG 3.24Å; E226-N230 PolarHBondContact O-N 2.66Å; E226-N230 PolarHBondContact O-ND2 3.19Å; N230-N232 VanDerWaalsContact C-N 3.3Å; N230-N232 PolarHBondContact O-N 3.33Å
231T98.4Very high98.7Very high90 Ų9036.1 Ų36.155%0.55221%0.209SC*.Hα-helixtrans-63.7-37.3-179.3-60.60000112T227 F228 N229T227-T231 VanDerWaalsContact O-CB 3.28Å; T227-T231 WeakPolarHBondContact O-CB 3.35Å; T227-T231 PolarHBondContact O-N 2.73Å; T227-T231 PolarHBondContact O-OG1 2.96Å; F228-T231 PolarHBondContact O-N 2.57Å; N229-T231 VanDerWaalsContact C-N 3.34Å; N229-T231 PolarHBondContact O-N 2.82Å
232N98.8Very high98.7Very high32 Ų3238.3 Ų38.317%0.17122%0.22CC..Hα-helixtrans-101.33.7-174.1-68.2-79.7000113.9D175 S176 L177 F228 N229 N230 L234D175-N232 PolarHBondContact O-ND2 2.63Å; S176-N232 WeakPolarHBondContact CA-OD1 3.45Å; L177-N232 HydrophobicContact CD1-CB 4.45Å; L177-N232 HydrophobicContact CG-CB 4.16Å; L177-N232 PolarHBondContact N-OD1 2.9Å; F228-N232 WeakPolarHBondContact O-CB 3.49Å; F228-N232 PolarHBondContact O-N 3.3Å; F228-N232 VanDerWaalsContact O-N 3.08Å; F228-N232 PolarHBondContact O-ND2 3.1Å; N229-N232 PolarHBondContact O-N 3.32Å; N230-N232 VanDerWaalsContact C-N 3.3Å; N230-N232 PolarHBondContact O-N 3.33Å; N232-L234 VanDerWaalsContact C-N 3.31Å; N232-L234 HydrophobicContact CB-CD1 3.91Å; N232-L234 HydrophobicContact CB-CG 3.81Å; N232-L234 PolarHBondContact O-N 2.91Å
233G98.5Very high98.6Very high54 Ų5437.5 Ų37.556%0.55722%0.217SC*.THydrogen-bonded Turntrans66.730.1-178.900000113.8N229N229-G233 PolarHBondContact O-N 3.06Å
234L98.7Very high98.6Very high14 Ų1435 Ų357%0.07321%0.205CC..  trans-91.7146.5-177.5-53.3171.7000111L158 Q162 F164 L177 F228 N229 N232L158-L234 HydrophobicContact CD1-CD2 3.53Å; Q162-L234 CarbonylContact O-C 3.16Å; Q162-L234 WeakPolarHBondContact O-CA 3.39Å; F164-L234 HydrophobicContact CB-CD1 3.56Å; F164-L234 HydrophobicContact CB-CD2 4.01Å; F164-L234 HydrophobicContact CB-CG 4.34Å; F164-L234 HydrophobicContact CD1-CD1 4.38Å; F164-L234 HydrophobicContact CG-CD1 4.08Å; L177-L234 HydrophobicContact CD1-CD2 4.43Å; F228-L234 HydrophobicContact CD1-CD1 3.89Å; F228-L234 HydrophobicContact CE1-CD1 3.63Å; N229-L234 HydrophobicContact CB-CB 4.25Å; N229-L234 PolarHBondContact O-N 3.01Å; N232-L234 VanDerWaalsContact C-N 3.31Å; N232-L234 HydrophobicContact CB-CD1 3.91Å; N232-L234 HydrophobicContact CB-CG 3.81Å; N232-L234 PolarHBondContact O-N 2.91Å
235T98.1Very high98.6Very high78 Ų7838.5 Ų38.548%0.47922%0.222SC..SBendtrans-93.1-24.9172.357.70000112.3Q162Q162-T235 HydrophobicContact CB-CG2 4.19Å; Q162-T235 HydrophobicContact CG-CG2 4.35Å; Q162-T235 PolarHBondContact O-N 3.39Å; Q162-T235 PolarHBondContact O-OG1 3.09Å
236L98.7Very high98.5Very high5 Ų543.9 Ų43.93%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-159.3139.9-173.2176.359.1000111.4I163 F164 W250 V257 M276I163-L236 WeakPolarHBondContact CA-O 3.27Å; I163-L236 HydrophobicContact CD1-CD2 4.38Å; I163-L236 HydrophobicContact CG1-CB 4.21Å; I163-L236 HydrophobicContact CG2-CB 4.22Å; I163-L236 HydrophobicContact CG2-CD2 4.11Å; I163-L236 HydrophobicContact CG2-CG 4.2Å; F164-L236 PolarHBondContact N-O 3.48Å; L236-W250 HydrophobicContact CD1-CH2 4Å; L236-W250 HydrophobicContact CD1-CZ3 3.48Å; L236-W250 VanDerWaalsContact CD1-CZ3 3.48Å; L236-W250 HydrophobicContact CD2-CH2 3.93Å; L236-W250 HydrophobicContact CD2-CZ3 4.28Å; L236-V257 HydrophobicContact CD1-CB 4.31Å; L236-V257 HydrophobicContact CD1-CG1 4.04Å; L236-V257 HydrophobicContact CD2-CG1 3.96Å; L236-V257 HydrophobicContact CG-CG1 4.29Å; L236-M276 HydrophobicContact CD2-SD 4.38Å
237V98.9Very high98.5Very high0 Ų040.7 Ų40.70%023%0.232CC..EExtended strand (participates in β ladder)trans-95119.3156.4-177.40000109.1F164 L166 L170 N229 N255 V256 V257F164-V237 HydrophobicContact CD1-CG1 4.21Å; F164-V237 HydrophobicContact CD1-CG2 4.3Å; F164-V237 CarbonylContact O-C 3.01Å; F164-V237 WeakPolarHBondContact O-CA 3.45Å; L166-V237 HydrophobicContact CD2-CG1 3.52Å; L170-V237 HydrophobicContact CD2-CG2 4.45Å; N229-V237 VanDerWaalsContact OD1-CG2 3.23Å; N229-V237 WeakPolarHBondContact OD1-CG2 3.24Å; V237-N255 PolarHBondContact N-O 3.45Å; V237-V256 HydrophobicContact CB-CG1 4.44Å; V237-V256 HydrophobicContact CB-CG2 4.18Å; V237-V256 CarbonylContact O-C 3.54Å; V237-V256 VanDerWaalsContact O-CA 3.29Å; V237-V256 WeakPolarHBondContact O-CA 3.17Å; V237-V257 PolarHBondContact O-N 3.35Å
238S98.9Very high98.5Very high0 Ų039.8 Ų39.80%022%0.219CC..EExtended strand (participates in β ladder)trans-102.5121.4172.21770000108.9F164 C165 L166F164-S238 PolarHBondContact O-N 2.8Å; C165-S238 VanDerWaalsContact CA-O 3.23Å; C165-S238 WeakPolarHBondContact CA-O 3.46Å; L166-S238 PolarHBondContact N-O 3.28Å; L166-S238 VanDerWaalsContact N-O 3.14Å
239R98.9Very high98.5Very high0 Ų043.1 Ų43.10%024%0.238CC..EExtended strand (participates in β ladder)trans-138.4171.2-177.669.377.956.3151.815.1113.7L166 H167 G168 S201 D202 H241 Q242 V256 V257 T258 I259L166-R239 HydrophobicContact CD2-CB 3.92Å; L166-R239 WeakPolarHBondContact O-CA 3.41Å; L166-R239 WeakPolarHBondContact O-CB 3.21Å; H167-R239 PolarHBondContact O-NE 2.92Å; G168-R239 VanDerWaalsContact C-NH2 3.35Å; G168-R239 WeakPolarHBondContact O-CB 3.22Å; G168-R239 PolarHBondContact O-NE 3.48Å; G168-R239 PolarHBondContact O-NH2 2.84Å; S201-R239 PolarHBondContact O-NH2 3.47Å; D202-R239 IonicContact OD1-CZ 2.63Å; D202-R239 IonicContact OD1-NH1 2.67Å; D202-R239 PolarHBondContact OD1-NH1 3.47Å; D202-R239 IonicContact OD1-NH2 3.51Å; D202-R239 PolarHBondContact OD1-NH2 3.22Å; R239-H241 PolarHBondContact NH2-CD2 3.39Å; R239-Q242 VanDerWaalsContact NH1-CG 3.34Å; R239-V256 HydrophobicContact CG-CG1 3.96Å; R239-V257 PolarHBondContact N-O 3.04Å; R239-T258 VanDerWaalsContact CD-OG1 3.3Å; R239-T258 WeakPolarHBondContact CD-OG1 3.33Å; R239-T258 CarbonylContact O-C 3.57Å; R239-T258 VanDerWaalsContact O-CA 3.26Å; R239-T258 WeakPolarHBondContact O-CA 3.48Å; R239-I259 PolarHBondContact O-N 2.7Å
240A98.8Very high98.5Very high0 Ų045.7 Ų45.70%025%0.247CC..  trans-123.5-127.5-17400000111.9D57 M83 H167 Q242 I259D57-A240 WeakPolarHBondContact OD1-CB 3.45Å; M83-A240 HydrophobicContact CB-CB 3.98Å; M83-A240 HydrophobicContact CE-CB 3.98Å; H167-A240 CarbonylContact O-C 3.54Å; H167-A240 PolarHBondContact O-N 2.63Å; A240-Q242 PolarHBondContact O-N 3.33Å; A240-I259 WeakPolarHBondContact CA-O 3.46Å; A240-I259 WeakPolarHBondContact CB-O 3.43Å
241H98.6Very high98.4Very high11 Ų1140.5 Ų40.55%0.05122%0.221CC..SBendtrans65.2-30.9162.4-176.666000118.3D57 N117 H167 D202 R214 R239D57-H241 PolarHBondContact OD1-N 3.13Å; D57-H241 WeakPolarHBondContact OD2-CA 3.49Å; N117-H241 PolarHBondContact OD1-CE1 3.33Å; N117-H241 VanDerWaalsContact OD1-CE1 3.27Å; N117-H241 PolarHBondContact OD1-ND1 3.33Å; H167-H241 AromaticContact CD2-ND1 3.76Å; H167-H241 AromaticContact NE2-CG 3.82Å; H167-H241 AromaticContact NE2-ND1 3.38Å; H167-H241 PolarHBondContact NE2-ND1 3.41Å; H167-H241 WeakPolarHBondContact O-CB 3.28Å; D202-H241 IonicContact OD1-CD2 3.59Å; D202-H241 PolarHBondContact OD1-CD2 2.94Å; D202-H241 VanDerWaalsContact OD1-CD2 3.31Å; R214-H241 WeakPolarHBondContact CD-NE2 3.32Å; R214-H241 PolarHBondContact NE-NE2 3.49Å; R239-H241 PolarHBondContact NH2-CD2 3.39Å
242Q98.1Very high98.5Very high47 Ų4736.8 Ų36.822%0.2220%0.197CC..SBendtrans-101.8126.1174.3-84.2172.4-34.900110.4D202 R239 A240 V244 T258 F260D202-Q242 WeakPolarHBondContact OD1-CG 3.23Å; D202-Q242 PolarHBondContact OD1-NE2 3.47Å; D202-Q242 PolarHBondContact OD1-OE1 2.89Å; D202-Q242 PolarHBondContact OD2-NE2 3.19Å; D202-Q242 VanDerWaalsContact OD2-NE2 3.12Å; R239-Q242 VanDerWaalsContact NH1-CG 3.34Å; A240-Q242 PolarHBondContact O-N 3.33Å; Q242-V244 PolarHBondContact O-N 3.07Å; Q242-T258 HydrophobicContact CB-CG2 4.15Å; Q242-T258 WeakPolarHBondContact O-CG2 3.42Å; Q242-F260 WeakPolarHBondContact O-CD2 3.38Å
243L98.1Very high98.4Very high62 Ų6241.3 Ų41.333%0.32522%0.222SC..  trans-59.5124.6165.5-178.2149.5000109.5M245 F260 Y265 C269 N271L243-M245 HydrophobicContact CD2-SD 3.93Å; L243-F260 HydrophobicContact CB-CE2 4.35Å; L243-F260 HydrophobicContact CB-CZ 4.34Å; L243-F260 HydrophobicContact CD1-CE1 4.47Å; L243-F260 HydrophobicContact CG-CE1 4.49Å; L243-Y265 HydrophobicContact CD1-CD1 3.67Å; L243-Y265 HydrophobicContact CD1-CG 4Å; L243-C269 HydrophobicContact CD1-CB 3.53Å; L243-N271 HydrophobicContact CD1-CB 4.4Å; L243-N271 HydrophobicContact CD2-CB 4.17Å; L243-N271 HydrophobicContact CG-CB 4.26Å
244V97.7Very high98.4Very high18 Ų1846.6 Ų46.611%0.10923%0.225CC..  trans-122.6130.2172.8-700000108.5Q242 E246 G247 N249 T258 F260Q242-V244 PolarHBondContact O-N 3.07Å; V244-E246 PolarHBondContact O-N 3.01Å; V244-G247 PolarHBondContact O-N 3Å; V244-N249 HydrophobicContact CB-CB 4.08Å; V244-N249 HydrophobicContact CG1-CB 3.71Å; V244-T258 HydrophobicContact CG1-CG2 3.77Å; V244-T258 HydrophobicContact CG2-CG2 4.24Å; V244-F260 HydrophobicContact CG2-CB 3.92Å
245M98Very high98.4Very high100 Ų10047.3 Ų47.349%0.49323%0.228SC..THydrogen-bonded Turntrans-60.7-32.3-168.3-74.5-56.7-58.500113.8L243 G247 N271 Q272L243-M245 HydrophobicContact CD2-SD 3.93Å; M245-G247 VanDerWaalsContact C-N 3.33Å; M245-N271 HydrophobicContact CE-CB 4.3Å; M245-N271 CarbonylContact O-C 3.56Å; M245-N271 WeakPolarHBondContact O-CA 3.24Å; M245-N271 HydrophobicContact SD-CB 4.04Å; M245-Q272 PolarHBondContact O-N 3.15Å
246E98.1Very high98.4Very high112 Ų11243.6 Ų43.652%0.52321%0.206SC..THydrogen-bonded Turntrans-91.16.6-179.6-57.6-58.9132.400112.7V244 Y248 Q288V244-E246 PolarHBondContact O-N 3.01Å; E246-Y248 PolarHBondContact O-N 3.1Å; E246-Y248 VanDerWaalsContact O-N 3.1Å; E246-Q288 PolarHBondContact O-NE2 3.3Å
247G98.4Very high98.4Very high0 Ų043.3 Ų43.30%020%0.204CC..SBendtrans78.3-22.2-17700000114.8V244 M245 F260 Q272 A274V244-G247 PolarHBondContact O-N 3Å; M245-G247 VanDerWaalsContact C-N 3.33Å; G247-F260 PolarHBondContact O-N 3.37Å; G247-Q272 VanDerWaalsContact CA-O 3.22Å; G247-Q272 WeakPolarHBondContact CA-O 3.45Å; G247-Q272 PolarHBondContact N-O 3.38Å; G247-A274 WeakPolarHBondContact O-CB 3.24Å
248Y98.7Very high98.4Very high66 Ų6643.4 Ų43.426%0.25921%0.205SC..EExtended strand (participates in β ladder)trans-142.1155.4165.573.9-75.3000111.2E246 W250 T258 A274 F286 Q288E246-Y248 PolarHBondContact O-N 3.1Å; E246-Y248 VanDerWaalsContact O-N 3.1Å; Y248-W250 AromaticContact CE2-CD1 3.94Å; Y248-W250 AromaticContact CE2-NE1 3.86Å; Y248-T258 CarbonylContact C-O 3.59Å; Y248-T258 WeakPolarHBondContact CA-O 3.35Å; Y248-T258 WeakPolarHBondContact CB-O 3.41Å; Y248-A274 HydrophobicContact CD1-CB 3.93Å; Y248-A274 HydrophobicContact CG-CB 4.46Å; Y248-F286 HydrophobicContact CD1-CB 3.99Å; Y248-F286 HydrophobicContact CD1-CD1 4.07Å; Y248-F286 HydrophobicContact CD1-CG 4.08Å; Y248-F286 HydrophobicContact CD2-CB 4.44Å; Y248-F286 AromaticContact CD2-CD1 3.6Å; Y248-F286 HydrophobicContact CD2-CD1 3.6Å; Y248-F286 AromaticContact CD2-CD2 3.97Å; Y248-F286 HydrophobicContact CD2-CD2 3.97Å; Y248-F286 AromaticContact CD2-CE1 3.77Å; Y248-F286 HydrophobicContact CD2-CE1 3.77Å; Y248-F286 HydrophobicContact CD2-CE2 4.14Å; Y248-F286 AromaticContact CD2-CG 3.72Å; Y248-F286 HydrophobicContact CD2-CG 3.72Å; Y248-F286 HydrophobicContact CD2-CZ 4.06Å; Y248-F286 HydrophobicContact CE1-CB 3.83Å; Y248-F286 HydrophobicContact CE1-CG 4.15Å; Y248-F286 HydrophobicContact CE2-CB 4.31Å; Y248-F286 HydrophobicContact CE2-CD1 4.17Å; Y248-F286 AromaticContact CE2-CD2 3.74Å; Y248-F286 HydrophobicContact CE2-CD2 3.74Å; Y248-F286 HydrophobicContact CE2-CE2 4.12Å; Y248-F286 AromaticContact CE2-CG 3.79Å; Y248-F286 HydrophobicContact CE2-CG 3.79Å; Y248-F286 HydrophobicContact CE2-CZ 4.49Å; Y248-F286 HydrophobicContact CG-CB 4.29Å; Y248-F286 AromaticContact CG-CD1 3.54Å; Y248-F286 HydrophobicContact CG-CD1 3.54Å; Y248-F286 HydrophobicContact CG-CE1 4.02Å; Y248-F286 AromaticContact CG-CG 3.87Å; Y248-F286 HydrophobicContact CG-CG 3.87Å; Y248-Q288 HydrophobicContact CD1-CG 3.97Å; Y248-Q288 HydrophobicContact CE1-CG 3.75Å
249N98.5Very high98.4Very high84 Ų8443.4 Ų43.445%0.44921%0.205SC..EExtended strand (participates in β ladder)trans-146.2134174.5-173.548000111.5V244 V257 T258V244-N249 HydrophobicContact CB-CB 4.08Å; V244-N249 HydrophobicContact CG1-CB 3.71Å; N249-V257 WeakPolarHBondContact O-CA 3.48Å; N249-T258 PolarHBondContact N-O 3.38Å; N249-T258 PolarHBondContact O-N 3.28Å
250W98.5Very high98.4Very high57 Ų5743.5 Ų43.522%0.21621%0.205CC..EExtended strand (participates in β ladder)trans-88.7136.6171.6-73.6103000110.2L236 Y248 R254 V257 F284 F286L236-W250 HydrophobicContact CD1-CH2 4Å; L236-W250 HydrophobicContact CD1-CZ3 3.48Å; L236-W250 VanDerWaalsContact CD1-CZ3 3.48Å; L236-W250 HydrophobicContact CD2-CH2 3.93Å; L236-W250 HydrophobicContact CD2-CZ3 4.28Å; Y248-W250 AromaticContact CE2-CD1 3.94Å; Y248-W250 AromaticContact CE2-NE1 3.86Å; W250-R254 HydrophobicContact CD2-CG 4.32Å; W250-R254 HydrophobicContact CE3-CB 3.84Å; W250-R254 HydrophobicContact CE3-CG 4.08Å; W250-R254 HydrophobicContact CZ3-CB 3.99Å; W250-R254 WeakPolarHBondContact CZ3-O 3.04Å; W250-V257 HydrophobicContact CD2-CB 4.12Å; W250-V257 HydrophobicContact CD2-CG2 4.01Å; W250-V257 HydrophobicContact CE3-CB 3.71Å; W250-V257 HydrophobicContact CE3-CG2 4.13Å; W250-V257 HydrophobicContact CH2-CB 4.01Å; W250-V257 HydrophobicContact CH2-CG1 4.4Å; W250-V257 HydrophobicContact CH2-CG2 4.44Å; W250-V257 HydrophobicContact CZ2-CB 4.36Å; W250-V257 HydrophobicContact CZ2-CG2 4.28Å; W250-V257 HydrophobicContact CZ3-CB 3.69Å; W250-V257 HydrophobicContact CZ3-CG1 4.37Å; W250-V257 HydrophobicContact CZ3-CG2 4.38Å; W250-F284 HydrophobicContact CH2-CD2 4.43Å; W250-F284 HydrophobicContact CH2-CE1 4.38Å; W250-F284 AromaticContact CH2-CE2 3.93Å; W250-F284 HydrophobicContact CH2-CE2 3.93Å; W250-F284 AromaticContact CH2-CZ 3.9Å; W250-F284 HydrophobicContact CH2-CZ 3.9Å; W250-F284 AromaticContact CZ2-CD2 3.91Å; W250-F284 HydrophobicContact CZ2-CD2 3.91Å; W250-F284 AromaticContact CZ2-CE2 3.47Å; W250-F284 HydrophobicContact CZ2-CE2 3.47Å; W250-F284 VanDerWaalsContact CZ2-CE2 3.47Å; W250-F284 AromaticContact CZ2-CZ 3.91Å; W250-F284 HydrophobicContact CZ2-CZ 3.91Å; W250-F286 AromaticContact CE2-CE2 3.78Å; W250-F286 AromaticContact CE2-CZ 3.79Å; W250-F286 HydrophobicContact CH2-CZ 4.35Å; W250-F286 AromaticContact CZ2-CE2 3.51Å; W250-F286 HydrophobicContact CZ2-CE2 3.51Å; W250-F286 AromaticContact CZ2-CZ 3.45Å; W250-F286 HydrophobicContact CZ2-CZ 3.45Å; W250-F286 VanDerWaalsContact CZ2-CZ 3.45Å; W250-F286 AromaticContact NE1-CE2 3.55Å; W250-F286 AromaticContact NE1-CZ 3.86Å
251C98.2Very high98.4Very high21 Ų2143.7 Ų43.714%0.14221%0.206CC..EExtended strand (participates in β ladder)trans-140.2172.1173.259.40000111.1D253 R254 V256C251-D253 PolarHBondContact O-N 2.83Å; C251-R254 PolarHBondContact O-N 2.77Å; C251-R254 VanDerWaalsContact O-N 3.09Å; C251-V256 PolarHBondContact N-O 3.44Å; C251-V256 PolarHBondContact O-N 3.08Å; C251-V256 VanDerWaalsContact O-O 3.14Å
252H98.7Very high98.4Very high12 Ų1243.1 Ų43.16%0.05620%0.204CC..G310 helixtrans53.450.6176-57.4175.6000113.5P203 D204 F220 Q222 S225 R254 N255 V256P203-H252 VanDerWaalsContact CB-CE1 3.42Å; P203-H252 WeakPolarHBondContact CB-CE1 3.26Å; D204-H252 PolarHBondContact N-NE2 3.41Å; D204-H252 PolarHBondContact O-NE2 3.4Å; D204-H252 VanDerWaalsContact O-NE2 3.13Å; F220-H252 AromaticContact CD2-CE1 3.82Å; F220-H252 AromaticContact CE2-CE1 3.88Å; F220-H252 PolarHBondContact O-CE1 2.57Å; Q222-H252 HydrophobicContact CB-CB 3.86Å; Q222-H252 HydrophobicContact CG-CB 3.94Å; S225-H252 PolarHBondContact OG-ND1 3.1Å; H252-R254 VanDerWaalsContact C-N 3.25Å; H252-R254 PolarHBondContact O-N 3.5Å; H252-N255 HydrophobicContact CB-CB 4.26Å; H252-N255 VanDerWaalsContact O-CB 3.23Å; H252-N255 WeakPolarHBondContact O-CB 3.43Å; H252-N255 PolarHBondContact O-N 3.13Å; H252-N255 PolarHBondContact O-ND2 3.15Å; H252-V256 HydrophobicContact CB-CG2 4.28Å
253D98.1Very high98.5Very high127 Ų12740.9 Ų40.968%0.67919%0.194SC*.G310 helixtrans49.244.3-176.1-161.728.6000113.8C251 N255C251-D253 PolarHBondContact O-N 2.83Å; D253-N255 PolarHBondContact O-N 3.36Å
254R98Very high98.4Very high165 Ų16539.8 Ų39.862%0.62319%0.188SC*.G310 helixtrans65.314.8-177.7-54-176.9172.3-161.8-3.9115.7W250 C251 H252 V256W250-R254 HydrophobicContact CD2-CG 4.32Å; W250-R254 HydrophobicContact CE3-CB 3.84Å; W250-R254 HydrophobicContact CE3-CG 4.08Å; W250-R254 HydrophobicContact CZ3-CB 3.99Å; W250-R254 WeakPolarHBondContact CZ3-O 3.04Å; C251-R254 PolarHBondContact O-N 2.77Å; C251-R254 VanDerWaalsContact O-N 3.09Å; H252-R254 VanDerWaalsContact C-N 3.25Å; H252-R254 PolarHBondContact O-N 3.5Å; R254-V256 PolarHBondContact O-N 3.41Å
255N98.6Very high98.3Very high28 Ų2840.3 Ų40.315%0.1519%0.188CC..THydrogen-bonded Turntrans-71.7-22.6169.1-76.7-84.9000112.6E226 N229 V237 H252 D253E226-N255 WeakPolarHBondContact CG-ND2 3.35Å; N229-N255 WeakPolarHBondContact ND2-CB 3.43Å; N229-N255 PolarHBondContact ND2-O 2.95Å; N229-N255 PolarHBondContact ND2-OD1 3.21Å; V237-N255 PolarHBondContact N-O 3.45Å; H252-N255 HydrophobicContact CB-CB 4.26Å; H252-N255 VanDerWaalsContact O-CB 3.23Å; H252-N255 WeakPolarHBondContact O-CB 3.43Å; H252-N255 PolarHBondContact O-N 3.13Å; H252-N255 PolarHBondContact O-ND2 3.15Å; D253-N255 PolarHBondContact O-N 3.36Å
256V98.9Very high98.1Very high0 Ų035.9 Ų35.90%017%0.167CC..EExtended strand (participates in β ladder)trans-135.3133.5-177.8-174.10000110.2F220 S225 V237 R239 C251 H252 R254F220-V256 HydrophobicContact CE2-CG2 4.22Å; S225-V256 VanDerWaalsContact OG-CG2 3.24Å; S225-V256 WeakPolarHBondContact OG-CG2 3.36Å; V237-V256 HydrophobicContact CB-CG1 4.44Å; V237-V256 HydrophobicContact CB-CG2 4.18Å; V237-V256 CarbonylContact O-C 3.54Å; V237-V256 VanDerWaalsContact O-CA 3.29Å; V237-V256 WeakPolarHBondContact O-CA 3.17Å; R239-V256 HydrophobicContact CG-CG1 3.96Å; C251-V256 PolarHBondContact N-O 3.44Å; C251-V256 PolarHBondContact O-N 3.08Å; C251-V256 VanDerWaalsContact O-O 3.14Å; H252-V256 HydrophobicContact CB-CG2 4.28Å; R254-V256 PolarHBondContact O-N 3.41Å
257V98.8Very high97.9Very high0 Ų032.5 Ų32.50%015%0.15CC..EExtended strand (participates in β ladder)trans-117.9135.3167.5680000110.3L236 V237 R239 N249 W250 I259 M276 F286L236-V257 HydrophobicContact CD1-CB 4.31Å; L236-V257 HydrophobicContact CD1-CG1 4.04Å; L236-V257 HydrophobicContact CD2-CG1 3.96Å; L236-V257 HydrophobicContact CG-CG1 4.29Å; V237-V257 PolarHBondContact O-N 3.35Å; R239-V257 PolarHBondContact N-O 3.04Å; N249-V257 WeakPolarHBondContact O-CA 3.48Å; W250-V257 HydrophobicContact CD2-CB 4.12Å; W250-V257 HydrophobicContact CD2-CG2 4.01Å; W250-V257 HydrophobicContact CE3-CB 3.71Å; W250-V257 HydrophobicContact CE3-CG2 4.13Å; W250-V257 HydrophobicContact CH2-CB 4.01Å; W250-V257 HydrophobicContact CH2-CG1 4.4Å; W250-V257 HydrophobicContact CH2-CG2 4.44Å; W250-V257 HydrophobicContact CZ2-CB 4.36Å; W250-V257 HydrophobicContact CZ2-CG2 4.28Å; W250-V257 HydrophobicContact CZ3-CB 3.69Å; W250-V257 HydrophobicContact CZ3-CG1 4.37Å; W250-V257 HydrophobicContact CZ3-CG2 4.38Å; V257-I259 HydrophobicContact CG1-CD1 4.4Å; V257-I259 HydrophobicContact CG1-CG1 4.44Å; V257-I259 HydrophobicContact CG2-CG1 4.3Å; V257-M276 HydrophobicContact CG1-SD 4.36Å; V257-F286 HydrophobicContact CG2-CE1 3.85Å; V257-F286 HydrophobicContact CG2-CZ 3.8Å
258T98.9Very high97.6Very high2 Ų238.4 Ų38.41%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-99.2129.8168.3-61.30000109.1R239 Q242 V244 Y248 N249R239-T258 VanDerWaalsContact CD-OG1 3.3Å; R239-T258 WeakPolarHBondContact CD-OG1 3.33Å; R239-T258 CarbonylContact O-C 3.57Å; R239-T258 VanDerWaalsContact O-CA 3.26Å; R239-T258 WeakPolarHBondContact O-CA 3.48Å; Q242-T258 HydrophobicContact CB-CG2 4.15Å; Q242-T258 WeakPolarHBondContact O-CG2 3.42Å; V244-T258 HydrophobicContact CG1-CG2 3.77Å; V244-T258 HydrophobicContact CG2-CG2 4.24Å; Y248-T258 CarbonylContact C-O 3.59Å; Y248-T258 WeakPolarHBondContact CA-O 3.35Å; Y248-T258 WeakPolarHBondContact CB-O 3.41Å; N249-T258 PolarHBondContact N-O 3.38Å; N249-T258 PolarHBondContact O-N 3.28Å
259I98.9Very high97.4Very high0 Ų038 Ų380%018%0.178CC..EExtended strand (participates in β ladder)trans-123.3128176.8-56.5166.6000108.2V54 G56 M83 R239 A240 V257 A274 M276 F286V54-I259 HydrophobicContact CB-CD1 4.41Å; V54-I259 HydrophobicContact CG1-CD1 4.17Å; G56-I259 WeakPolarHBondContact CA-O 3.3Å; M83-I259 HydrophobicContact CE-CB 3.97Å; M83-I259 HydrophobicContact CE-CD1 4.08Å; M83-I259 HydrophobicContact CE-CG1 4.46Å; R239-I259 PolarHBondContact O-N 2.7Å; A240-I259 WeakPolarHBondContact CA-O 3.46Å; A240-I259 WeakPolarHBondContact CB-O 3.43Å; V257-I259 HydrophobicContact CG1-CD1 4.4Å; V257-I259 HydrophobicContact CG1-CG1 4.44Å; V257-I259 HydrophobicContact CG2-CG1 4.3Å; I259-A274 WeakPolarHBondContact CG2-O 3.41Å; I259-M276 HydrophobicContact CD1-CB 3.44Å; I259-M276 VanDerWaalsContact CD1-CB 3.44Å; I259-M276 HydrophobicContact CD1-CE 4.02Å; I259-M276 HydrophobicContact CD1-CG 4.38Å; I259-M276 HydrophobicContact CD1-SD 4.16Å; I259-M276 HydrophobicContact CG1-CB 4.48Å; I259-F286 HydrophobicContact CD1-CE1 4.33Å; I259-F286 HydrophobicContact CG1-CE1 4.2Å
260F98.8Very high97.2Very high2 Ų236.4 Ų36.41%0.00918%0.181CC..  trans-125.8122.7179.4-163.8-94.3000109.4D57 Q242 L243 V244 G247 A262 Y265 A273 A274D57-F260 HydrophobicContact CB-CD2 3.89Å; D57-F260 HydrophobicContact CB-CE2 3.59Å; D57-F260 HydrophobicContact CB-CZ 4.08Å; D57-F260 VanDerWaalsContact CG-CE2 3.45Å; D57-F260 WeakPolarHBondContact OD2-CE2 3.17Å; Q242-F260 WeakPolarHBondContact O-CD2 3.38Å; L243-F260 HydrophobicContact CB-CE2 4.35Å; L243-F260 HydrophobicContact CB-CZ 4.34Å; L243-F260 HydrophobicContact CD1-CE1 4.47Å; L243-F260 HydrophobicContact CG-CE1 4.49Å; V244-F260 HydrophobicContact CG2-CB 3.92Å; G247-F260 PolarHBondContact O-N 3.37Å; F260-A262 HydrophobicContact CD1-CB 4.34Å; F260-A262 HydrophobicContact CE1-CB 3.67Å; F260-A262 VanDerWaalsContact CE1-O 3.23Å; F260-A262 WeakPolarHBondContact CE1-O 3.46Å; F260-A262 HydrophobicContact CZ-CB 4.18Å; F260-Y265 HydrophobicContact CE1-CD2 4.08Å; F260-Y265 AromaticContact CE1-CG 3.99Å; F260-Y265 HydrophobicContact CE1-CG 3.99Å; F260-Y265 HydrophobicContact CZ-CD1 4.23Å; F260-Y265 AromaticContact CZ-CD2 3.76Å; F260-Y265 HydrophobicContact CZ-CD2 3.76Å; F260-Y265 HydrophobicContact CZ-CE2 4.1Å; F260-Y265 AromaticContact CZ-CG 3.8Å; F260-Y265 HydrophobicContact CZ-CG 3.8Å; F260-A273 CarbonylContact O-C 3.09Å; F260-A273 VanDerWaalsContact O-CA 3.25Å; F260-A273 WeakPolarHBondContact O-CA 3.39Å; F260-A274 PolarHBondContact O-N 2.82Å
261S98.9Very high97.2Very high3 Ų333.8 Ų33.82%0.02117%0.172CC..  trans-109.29.6-168.6-59.90000114.3G56 D57 P263 A274 F289G56-S261 PolarHBondContact N-OG 3.29Å; D57-S261 CarbonylContact O-C 3.55Å; D57-S261 WeakPolarHBondContact O-CA 3.26Å; D57-S261 VanDerWaalsContact O-CB 3.3Å; D57-S261 WeakPolarHBondContact O-CB 3.34Å; D57-S261 PolarHBondContact O-N 3.14Å; D57-S261 VanDerWaalsContact O-N 3.15Å; S261-P263 WeakPolarHBondContact O-CD 3.4Å; S261-A274 PolarHBondContact OG-O 3.31Å; S261-F289 WeakPolarHBondContact O-CZ 3.46Å
262A98.6Very high97.2Very high0 Ų035.2 Ų35.20%018%0.176CC..  trans-105.796.2175.900000110.9D57 F260 Y265 N271D57-A262 PolarHBondContact O-N 2.91Å; F260-A262 HydrophobicContact CD1-CB 4.34Å; F260-A262 HydrophobicContact CE1-CB 3.67Å; F260-A262 VanDerWaalsContact CE1-O 3.23Å; F260-A262 WeakPolarHBondContact CE1-O 3.46Å; F260-A262 HydrophobicContact CZ-CB 4.18Å; A262-Y265 HydrophobicContact CB-CD2 4.16Å; A262-N271 PolarHBondContact O-ND2 2.75Å
263P98.1Very high97.2Very high0 Ų034.6 Ų34.60%017%0.174CC..THydrogen-bonded Turntrans-73147.3-176.131.8-36.4000110.4Q61 D64 S261 Y265 A273 F289 P291Q61-P263 PolarHBondContact NE2-O 3.5Å; D64-P263 HydrophobicContact CB-CG 3.71Å; S261-P263 WeakPolarHBondContact O-CD 3.4Å; P263-Y265 VanDerWaalsContact C-N 3.28Å; P263-Y265 PolarHBondContact O-N 3.1Å; P263-A273 HydrophobicContact CB-CB 3.63Å; P263-A273 HydrophobicContact CG-CB 4.01Å; P263-F289 HydrophobicContact CB-CE2 4.49Å; P263-F289 HydrophobicContact CG-CD2 4.14Å; P263-F289 HydrophobicContact CG-CE2 3.78Å; P263-P291 HydrophobicContact CB-CB 4.39Å; P263-P291 HydrophobicContact CB-CG 3.86Å; P263-P291 HydrophobicContact CG-CB 4.26Å; P263-P291 HydrophobicContact CG-CG 4.27Å
264N96.9Very high97.3Very high38 Ų3828.6 Ų28.620%0.20314%0.141CC..THydrogen-bonded Turntrans43.356.7-172.6-176.430.2000111.5Y267 R268 C269 G270 N271 P291N264-Y267 WeakPolarHBondContact O-CA 3.34Å; N264-Y267 PolarHBondContact O-N 3.09Å; N264-R268 PolarHBondContact O-N 3.47Å; N264-R268 VanDerWaalsContact OD1-C 3.25Å; N264-R268 WeakPolarHBondContact OD1-CA 3.24Å; N264-R268 PolarHBondContact OD1-N 3.26Å; N264-R268 VanDerWaalsContact OD1-N 3.11Å; N264-C269 PolarHBondContact OD1-N 3.24Å; N264-G270 WeakPolarHBondContact OD1-CA 3.39Å; N264-G270 PolarHBondContact OD1-N 2.86Å; N264-N271 PolarHBondContact N-O 3.42Å; N264-N271 PolarHBondContact N-OD1 3.43Å; N264-P291 HydrophobicContact CB-CB 4.47Å; N264-P291 HydrophobicContact CB-CG 3.4Å
265Y96.7Very high97.3Very high29 Ų2920.7 Ų20.711%0.11411%0.112CC..G310 helixtrans-48.3142-171.6-179.3-127.4000112.8H59 R89 L243 F260 A262 P263 Y267 R268 C269 N271H59-Y265 HydrophobicContact CB-CD2 4.46Å; H59-Y265 HydrophobicContact CB-CE2 3.8Å; H59-Y265 AromaticContact CD2-CE2 3.16Å; H59-Y265 WeakPolarHBondContact CD2-CE2 3.24Å; H59-Y265 AromaticContact CD2-CZ 3.62Å; H59-Y265 PolarHBondContact CD2-OH 2.95Å; H59-Y265 AromaticContact CG-CE2 3.61Å; H59-Y265 AromaticContact NE2-CE2 3.76Å; H59-Y265 AromaticContact NE2-CZ 3.7Å; H59-Y265 PolarHBondContact NE2-OH 3.08Å; R89-Y265 HydrophobicContact CB-CE2 4.27Å; R89-Y265 HydrophobicContact CG-CE2 4.1Å; R89-Y265 WeakPolarHBondContact CG-OH 3.49Å; L243-Y265 HydrophobicContact CD1-CD1 3.67Å; L243-Y265 HydrophobicContact CD1-CG 4Å; F260-Y265 HydrophobicContact CE1-CD2 4.08Å; F260-Y265 AromaticContact CE1-CG 3.99Å; F260-Y265 HydrophobicContact CE1-CG 3.99Å; F260-Y265 HydrophobicContact CZ-CD1 4.23Å; F260-Y265 AromaticContact CZ-CD2 3.76Å; F260-Y265 HydrophobicContact CZ-CD2 3.76Å; F260-Y265 HydrophobicContact CZ-CE2 4.1Å; F260-Y265 AromaticContact CZ-CG 3.8Å; F260-Y265 HydrophobicContact CZ-CG 3.8Å; A262-Y265 HydrophobicContact CB-CD2 4.16Å; P263-Y265 VanDerWaalsContact C-N 3.28Å; P263-Y265 PolarHBondContact O-N 3.1Å; Y265-Y267 PolarHBondContact O-N 3.26Å; Y265-R268 PolarHBondContact O-N 2.82Å; Y265-C269 PolarHBondContact O-N 3.34Å; Y265-C269 PolarHBondContact O-SG 3.07Å; Y265-C269 VanDerWaalsContact O-SG 3.34Å; Y265-N271 WeakPolarHBondContact CB-OD1 3.48Å; Y265-N271 PolarHBondContact N-OD1 3.49Å
266C93.2Very high97.3Very high7 Ų719.4 Ų19.45%0.04711%0.105CC..G310 helixtrans53.721.2-174.2-69.10000113.1R268 F308C266-R268 WeakPolarHBondContact O-CG 3.43Å; C266-R268 PolarHBondContact O-N 3.4Å; C266-F308 HydrophobicContact CB-CD1 3.83Å
267Y93.6Very high97.3Very high42 Ų4222 Ų2217%0.16512%0.117CC..G310 helixtrans61.822.3-175.8-44-58.4000114.3Q61 G90 Y91 N264 Y265 F308Q61-Y267 HydrophobicContact CG-CE1 3.93Å; G90-Y267 WeakPolarHBondContact CA-OH 3.45Å; Y91-Y267 HydrophobicContact CD2-CD2 4.06Å; Y91-Y267 AromaticContact CD2-CE2 3.22Å; Y91-Y267 HydrophobicContact CD2-CE2 3.22Å; Y91-Y267 AromaticContact CD2-CZ 3.57Å; Y91-Y267 AromaticContact CE2-CD2 3.55Å; Y91-Y267 HydrophobicContact CE2-CD2 3.55Å; Y91-Y267 AromaticContact CE2-CE2 3.2Å; Y91-Y267 HydrophobicContact CE2-CE2 3.2Å; Y91-Y267 AromaticContact CE2-CZ 3.96Å; Y91-Y267 HydrophobicContact CG-CE2 4.14Å; Y91-Y267 PolarHBondContact N-OH 2.78Å; Y91-Y267 VanDerWaalsContact N-OH 3.08Å; N264-Y267 WeakPolarHBondContact O-CA 3.34Å; N264-Y267 PolarHBondContact O-N 3.09Å; Y265-Y267 PolarHBondContact O-N 3.26Å; Y267-F308 AromaticContact CD2-CE1 3.73Å; Y267-F308 HydrophobicContact CD2-CE1 3.73Å; Y267-F308 AromaticContact CD2-CZ 3.88Å; Y267-F308 HydrophobicContact CD2-CZ 3.88Å; Y267-F308 AromaticContact CE2-CE1 3.65Å; Y267-F308 HydrophobicContact CE2-CE1 3.65Å; Y267-F308 AromaticContact CE2-CZ 3.63Å; Y267-F308 HydrophobicContact CE2-CZ 3.63Å
268R92.3Very high97.2Very high123 Ų12322.2 Ų22.246%0.46412%0.118SC..THydrogen-bonded Turntrans-143.8-31.6-168.6-69.6173.5174.5-157.2-7.7115.4N264 Y265 C266 G270 T304 L309N264-R268 PolarHBondContact O-N 3.47Å; N264-R268 VanDerWaalsContact OD1-C 3.25Å; N264-R268 WeakPolarHBondContact OD1-CA 3.24Å; N264-R268 PolarHBondContact OD1-N 3.26Å; N264-R268 VanDerWaalsContact OD1-N 3.11Å; Y265-R268 PolarHBondContact O-N 2.82Å; C266-R268 WeakPolarHBondContact O-CG 3.43Å; C266-R268 PolarHBondContact O-N 3.4Å; R268-G270 VanDerWaalsContact C-N 3.3Å; R268-G270 PolarHBondContact O-N 2.86Å; R268-T304 PolarHBondContact NH2-OG1 3.23Å; R268-L309 VanDerWaalsContact NH1-CD2 3.25Å
269C93.7Very high97.2Very high57 Ų5725.1 Ų25.139%0.38513%0.134SC..SBendtrans-74.2-18-167.9-64.70000114.3L243 N264 Y265 N271L243-C269 HydrophobicContact CD1-CB 3.53Å; N264-C269 PolarHBondContact OD1-N 3.24Å; Y265-C269 PolarHBondContact O-N 3.34Å; Y265-C269 PolarHBondContact O-SG 3.07Å; Y265-C269 VanDerWaalsContact O-SG 3.34Å; C269-N271 PolarHBondContact O-N 3.44Å
270G95.4Very high97Very high51 Ų5131.3 Ų31.353%0.52617%0.166SC..  trans67.911.2176.600000115.7N264 R268N264-G270 WeakPolarHBondContact OD1-CA 3.39Å; N264-G270 PolarHBondContact OD1-N 2.86Å; R268-G270 VanDerWaalsContact C-N 3.3Å; R268-G270 PolarHBondContact O-N 2.86Å
271N98.3Very high96.8Very high3 Ų335.4 Ų35.42%0.01620%0.196CC..  trans-70.5151.8173.163.9-70000111.7L243 M245 A262 N264 Y265 C269L243-N271 HydrophobicContact CD1-CB 4.4Å; L243-N271 HydrophobicContact CD2-CB 4.17Å; L243-N271 HydrophobicContact CG-CB 4.26Å; M245-N271 HydrophobicContact CE-CB 4.3Å; M245-N271 CarbonylContact O-C 3.56Å; M245-N271 WeakPolarHBondContact O-CA 3.24Å; M245-N271 HydrophobicContact SD-CB 4.04Å; A262-N271 PolarHBondContact O-ND2 2.75Å; N264-N271 PolarHBondContact N-O 3.42Å; N264-N271 PolarHBondContact N-OD1 3.43Å; Y265-N271 WeakPolarHBondContact CB-OD1 3.48Å; Y265-N271 PolarHBondContact N-OD1 3.49Å; C269-N271 PolarHBondContact O-N 3.44Å
272Q98.2Very high96.5Very high50 Ų5036.8 Ų36.823%0.23420%0.203CC..  trans-73.4164.9158.8-56.3-162.3-7300110M245 G247 Q288 D290M245-Q272 PolarHBondContact O-N 3.15Å; G247-Q272 VanDerWaalsContact CA-O 3.22Å; G247-Q272 WeakPolarHBondContact CA-O 3.45Å; G247-Q272 PolarHBondContact N-O 3.38Å; Q272-Q288 VanDerWaalsContact OE1-NE2 3.11Å; Q272-D290 PolarHBondContact NE2-OD1 2.88Å
273A98.7Very high96.3Very high0 Ų043.6 Ų43.60%023%0.232CC..EExtended strand (participates in β ladder)trans-111.4162.1165.700000110.5F260 P263 Q288 F289F260-A273 CarbonylContact O-C 3.09Å; F260-A273 VanDerWaalsContact O-CA 3.25Å; F260-A273 WeakPolarHBondContact O-CA 3.39Å; P263-A273 HydrophobicContact CB-CB 3.63Å; P263-A273 HydrophobicContact CG-CB 4.01Å; A273-Q288 CarbonylContact O-C 3.49Å; A273-Q288 VanDerWaalsContact O-CA 3.26Å; A273-Q288 WeakPolarHBondContact O-CA 3.48Å; A273-F289 HydrophobicContact CB-CD1 3.93Å; A273-F289 HydrophobicContact CB-CD2 4.09Å; A273-F289 HydrophobicContact CB-CE1 3.48Å; A273-F289 VanDerWaalsContact CB-CE1 3.48Å; A273-F289 HydrophobicContact CB-CE2 3.66Å; A273-F289 HydrophobicContact CB-CG 4.21Å; A273-F289 HydrophobicContact CB-CZ 3.33Å; A273-F289 PolarHBondContact N-O 3.43Å; A273-F289 PolarHBondContact O-N 3.2Å
274A98.7Very high96.1Very high0 Ų048 Ų480%025%0.251CS..EExtended strand (participates in β ladder)trans-142.9165.5172.100000112.5G247 Y248 I259 F260 S261 L287 Q288G247-A274 WeakPolarHBondContact O-CB 3.24Å; Y248-A274 HydrophobicContact CD1-CB 3.93Å; Y248-A274 HydrophobicContact CG-CB 4.46Å; I259-A274 WeakPolarHBondContact CG2-O 3.41Å; F260-A274 PolarHBondContact O-N 2.82Å; S261-A274 PolarHBondContact OG-O 3.31Å; A274-L287 CarbonylContact C-O 3.56Å; A274-L287 VanDerWaalsContact CA-O 3.22Å; A274-L287 WeakPolarHBondContact CA-O 3.34Å; A274-Q288 HydrophobicContact CB-CG 4.2Å
275L98.5Very high96.1Very high0 Ų048.9 Ų48.90%026%0.26CS..EExtended strand (participates in β ladder)trans-133.1151.3165.461.679.5000108.7T53 V54 L68 I71 E277 F286 L287T53-L275 HydrophobicContact CG2-CB 4.07Å; T53-L275 HydrophobicContact CG2-CD1 3.53Å; T53-L275 HydrophobicContact CG2-CD2 4.16Å; T53-L275 HydrophobicContact CG2-CG 4.11Å; V54-L275 WeakPolarHBondContact O-CA 3.22Å; L68-L275 HydrophobicContact CD2-CD2 4.37Å; L68-L275 HydrophobicContact CG-CD2 4.03Å; I71-L275 HydrophobicContact CG2-CD2 4.36Å; L275-E277 HydrophobicContact CD1-CG 3.65Å; L275-F286 WeakPolarHBondContact O-CA 3.38Å; L275-L287 HydrophobicContact CD1-CB 3.78Å; L275-L287 HydrophobicContact CD1-CD1 3.78Å; L275-L287 HydrophobicContact CD1-CG 3.87Å; L275-L287 HydrophobicContact CG-CB 4.06Å; L275-L287 PolarHBondContact N-O 3.38Å; L275-L287 PolarHBondContact O-N 2.89Å
276M98.7Very high96.2Very high0 Ų049.3 Ų49.30%026%0.263CS..EExtended strand (participates in β ladder)trans-109.9116.2177179.1-179.668.900109.6T53 V54 L236 V257 I259 L278 F284 S285 F286T53-M276 CarbonylContact C-O 3.47Å; V54-M276 HydrophobicContact CB-CB 4.32Å; V54-M276 HydrophobicContact CB-CE 3.96Å; V54-M276 HydrophobicContact CG1-CE 4.34Å; V54-M276 HydrophobicContact CG2-CE 3.72Å; V54-M276 PolarHBondContact N-O 2.94Å; V54-M276 PolarHBondContact O-N 3.21Å; L236-M276 HydrophobicContact CD2-SD 4.38Å; V257-M276 HydrophobicContact CG1-SD 4.36Å; I259-M276 HydrophobicContact CD1-CB 3.44Å; I259-M276 VanDerWaalsContact CD1-CB 3.44Å; I259-M276 HydrophobicContact CD1-CE 4.02Å; I259-M276 HydrophobicContact CD1-CG 4.38Å; I259-M276 HydrophobicContact CD1-SD 4.16Å; I259-M276 HydrophobicContact CG1-CB 4.48Å; M276-L278 HydrophobicContact CE-CD1 4.2Å; M276-L278 HydrophobicContact CE-CD2 4.17Å; M276-L278 HydrophobicContact CE-CG 4.23Å; M276-L278 HydrophobicContact CG-CD2 4.49Å; M276-L278 HydrophobicContact SD-CD2 4.37Å; M276-F284 HydrophobicContact CG-CB 3.91Å; M276-F284 HydrophobicContact SD-CB 3.94Å; M276-S285 CarbonylContact C-O 3.6Å; M276-S285 WeakPolarHBondContact CA-O 3.16Å; M276-F286 HydrophobicContact CB-CD1 3.97Å; M276-F286 HydrophobicContact CB-CE1 3.74Å; M276-F286 HydrophobicContact CB-CZ 4.45Å; M276-F286 HydrophobicContact CG-CD1 4.33Å; M276-F286 HydrophobicContact CG-CE1 3.85Å; M276-F286 HydrophobicContact CG-CZ 4.06Å; M276-F286 HydrophobicContact SD-CE1 3.97Å; M276-F286 HydrophobicContact SD-CZ 3.84Å
277E98.6Very high96.4Very high55 Ų5551.4 Ų51.426%0.25727%0.273SS..EExtended strand (participates in β ladder)trans-88.1130.4172.9-62.8-175.3140.600109.8T53 L275 F284 S285 L287T53-E277 HydrophobicContact CG2-CG 4.17Å; L275-E277 HydrophobicContact CD1-CG 3.65Å; E277-F284 CarbonylContact O-C 3.55Å; E277-F284 WeakPolarHBondContact O-CA 3.33Å; E277-S285 PolarHBondContact N-O 2.92Å; E277-S285 PolarHBondContact O-N 3.4Å; E277-L287 HydrophobicContact CG-CD1 4.25Å
278L98.5Very high96.7Very high4 Ų453.1 Ų53.12%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-109.1117.6171-62.8172.5000108.7P51 V52 V54 V159 I163 M276 F284P51-L278 CarbonylContact C-O 3.52Å; P51-L278 WeakPolarHBondContact CA-O 3.47Å; P51-L278 WeakPolarHBondContact CB-O 3.19Å; V52-L278 HydrophobicContact CG1-CB 4.21Å; V52-L278 HydrophobicContact CG1-CD1 3.94Å; V52-L278 PolarHBondContact N-O 3.43Å; V52-L278 WeakPolarHBondContact O-CB 3.47Å; V52-L278 PolarHBondContact O-N 3.09Å; V54-L278 HydrophobicContact CG2-CD1 3.95Å; V54-L278 HydrophobicContact CG2-CG 4.46Å; V159-L278 HydrophobicContact CB-CD1 4.34Å; V159-L278 HydrophobicContact CG1-CD1 3.94Å; V159-L278 HydrophobicContact CG2-CD1 4.37Å; I163-L278 HydrophobicContact CD1-CD1 3.76Å; I163-L278 HydrophobicContact CD1-CD2 3.51Å; I163-L278 HydrophobicContact CD1-CG 4.31Å; M276-L278 HydrophobicContact CE-CD1 4.2Å; M276-L278 HydrophobicContact CE-CD2 4.17Å; M276-L278 HydrophobicContact CE-CG 4.23Å; M276-L278 HydrophobicContact CG-CD2 4.49Å; M276-L278 HydrophobicContact SD-CD2 4.37Å; L278-F284 HydrophobicContact CD2-CB 3.7Å
279D97.2Very high96.9Very high64 Ų6447.6 Ų47.634%0.34226%0.262SS..  trans-77.8178.1178.379.91.2000112.8C50 S281 L282 K283C50-D279 VanDerWaalsContact CB-O 3.3Å; C50-D279 WeakPolarHBondContact CB-O 3.22Å; D279-S281 PolarHBondContact O-N 3.43Å; D279-S281 VanDerWaalsContact OD1-C 3.22Å; D279-S281 VanDerWaalsContact OD1-CA 3.27Å; D279-S281 WeakPolarHBondContact OD1-CA 3.35Å; D279-S281 WeakPolarHBondContact OD1-CB 3.35Å; D279-S281 PolarHBondContact OD1-N 3.35Å; D279-L282 PolarHBondContact O-N 3.15Å; D279-L282 PolarHBondContact OD1-N 3.42Å; D279-L282 VanDerWaalsContact OD1-N 3.14Å; D279-K283 PolarHBondContact N-O 3.37Å; D279-K283 WeakPolarHBondContact OD1-CB 3.18Å; D279-K283 PolarHBondContact OD1-N 3.3Å
280D94.6Very high97.1Very high129 Ų12949.5 Ų49.569%0.6927%0.269SS*.THydrogen-bonded Turntrans-57.2-14.6178.6-60.2-50.1000114.1P51P51-D280 VanDerWaalsContact CD-OD1 3.23Å; P51-D280 WeakPolarHBondContact CD-OD1 3.32Å; P51-D280 WeakPolarHBondContact CG-OD1 3.43Å
281S94.7Very high97.2Very high89 Ų8949.3 Ų49.362%0.62226%0.258SS*.THydrogen-bonded Turntrans-113.918.4179.6-58.60000112.8D279 K283D279-S281 PolarHBondContact O-N 3.43Å; D279-S281 VanDerWaalsContact OD1-C 3.22Å; D279-S281 VanDerWaalsContact OD1-CA 3.27Å; D279-S281 WeakPolarHBondContact OD1-CA 3.35Å; D279-S281 WeakPolarHBondContact OD1-CB 3.35Å; D279-S281 PolarHBondContact OD1-N 3.35Å; S281-K283 PolarHBondContact O-N 2.7Å; S281-K283 VanDerWaalsContact O-N 3.16Å
282L92.4Very high96.9Very high32 Ų3249.8 Ų49.817%0.16826%0.263CS..  trans59.118.2-176.9-79.5159.2000114.5C50 V159 D160 Q162 I163 D279 F284C50-L282 WeakPolarHBondContact SG-CD2 3.38Å; V159-L282 HydrophobicContact CG1-CD2 4.27Å; D160-L282 HydrophobicContact CB-CD1 3.83Å; D160-L282 HydrophobicContact CB-CD2 4.31Å; D160-L282 HydrophobicContact CB-CG 4.3Å; Q162-L282 HydrophobicContact CB-CD1 4.24Å; Q162-L282 HydrophobicContact CG-CD1 4.48Å; I163-L282 HydrophobicContact CD1-CD2 3.7Å; I163-L282 HydrophobicContact CG1-CD2 4.09Å; D279-L282 PolarHBondContact O-N 3.15Å; D279-L282 PolarHBondContact OD1-N 3.42Å; D279-L282 VanDerWaalsContact OD1-N 3.14Å; L282-F284 PolarHBondContact O-N 3.02Å
283K95.1Very high96.4Very high143 Ų14352.9 Ų52.962%0.62229%0.287SS*.  trans-73.9129.8170.5-61.2179.1180172.50108.2D279 S281D279-K283 PolarHBondContact N-O 3.37Å; D279-K283 WeakPolarHBondContact OD1-CB 3.18Å; D279-K283 PolarHBondContact OD1-N 3.3Å; S281-K283 PolarHBondContact O-N 2.7Å; S281-K283 VanDerWaalsContact O-N 3.16Å
284F94.2Very high95Very high92 Ų9258.4 Ų58.440%0.40431%0.308SS..EExtended strand (participates in β ladder)trans-95.1140.1177.649.3-96000112.2W250 M276 E277 L278 L282 F286W250-F284 HydrophobicContact CH2-CD2 4.43Å; W250-F284 HydrophobicContact CH2-CE1 4.38Å; W250-F284 AromaticContact CH2-CE2 3.93Å; W250-F284 HydrophobicContact CH2-CE2 3.93Å; W250-F284 AromaticContact CH2-CZ 3.9Å; W250-F284 HydrophobicContact CH2-CZ 3.9Å; W250-F284 AromaticContact CZ2-CD2 3.91Å; W250-F284 HydrophobicContact CZ2-CD2 3.91Å; W250-F284 AromaticContact CZ2-CE2 3.47Å; W250-F284 HydrophobicContact CZ2-CE2 3.47Å; W250-F284 VanDerWaalsContact CZ2-CE2 3.47Å; W250-F284 AromaticContact CZ2-CZ 3.91Å; W250-F284 HydrophobicContact CZ2-CZ 3.91Å; M276-F284 HydrophobicContact CG-CB 3.91Å; M276-F284 HydrophobicContact SD-CB 3.94Å; E277-F284 CarbonylContact O-C 3.55Å; E277-F284 WeakPolarHBondContact O-CA 3.33Å; L278-F284 HydrophobicContact CD2-CB 3.7Å; L282-F284 PolarHBondContact O-N 3.02Å; F284-F286 AromaticContact CD2-CE2 3.84Å; F284-F286 HydrophobicContact CD2-CE2 3.84Å; F284-F286 HydrophobicContact CD2-CZ 4.45Å; F284-F286 HydrophobicContact CE2-CE2 4.39Å
285S96.9Very high92.9Very high56 Ų5670.4 Ų70.439%0.39235%0.353SS..EExtended strand (participates in β ladder)trans-130.5144.6163.4460000110.5M276 E277M276-S285 CarbonylContact C-O 3.6Å; M276-S285 WeakPolarHBondContact CA-O 3.16Å; E277-S285 PolarHBondContact N-O 2.92Å; E277-S285 PolarHBondContact O-N 3.4Å
286F98.5Very high90.6Very high39 Ų3973.6 Ų73.617%0.17139%0.386CS..EExtended strand (participates in β ladder)trans-102.3131.6176.1-62.8-88.5000110Y248 W250 V257 I259 L275 M276 F284Y248-F286 HydrophobicContact CD1-CB 3.99Å; Y248-F286 HydrophobicContact CD1-CD1 4.07Å; Y248-F286 HydrophobicContact CD1-CG 4.08Å; Y248-F286 HydrophobicContact CD2-CB 4.44Å; Y248-F286 AromaticContact CD2-CD1 3.6Å; Y248-F286 HydrophobicContact CD2-CD1 3.6Å; Y248-F286 AromaticContact CD2-CD2 3.97Å; Y248-F286 HydrophobicContact CD2-CD2 3.97Å; Y248-F286 AromaticContact CD2-CE1 3.77Å; Y248-F286 HydrophobicContact CD2-CE1 3.77Å; Y248-F286 HydrophobicContact CD2-CE2 4.14Å; Y248-F286 AromaticContact CD2-CG 3.72Å; Y248-F286 HydrophobicContact CD2-CG 3.72Å; Y248-F286 HydrophobicContact CD2-CZ 4.06Å; Y248-F286 HydrophobicContact CE1-CB 3.83Å; Y248-F286 HydrophobicContact CE1-CG 4.15Å; Y248-F286 HydrophobicContact CE2-CB 4.31Å; Y248-F286 HydrophobicContact CE2-CD1 4.17Å; Y248-F286 AromaticContact CE2-CD2 3.74Å; Y248-F286 HydrophobicContact CE2-CD2 3.74Å; Y248-F286 HydrophobicContact CE2-CE2 4.12Å; Y248-F286 AromaticContact CE2-CG 3.79Å; Y248-F286 HydrophobicContact CE2-CG 3.79Å; Y248-F286 HydrophobicContact CE2-CZ 4.49Å; Y248-F286 HydrophobicContact CG-CB 4.29Å; Y248-F286 AromaticContact CG-CD1 3.54Å; Y248-F286 HydrophobicContact CG-CD1 3.54Å; Y248-F286 HydrophobicContact CG-CE1 4.02Å; Y248-F286 AromaticContact CG-CG 3.87Å; Y248-F286 HydrophobicContact CG-CG 3.87Å; W250-F286 AromaticContact CE2-CE2 3.78Å; W250-F286 AromaticContact CE2-CZ 3.79Å; W250-F286 HydrophobicContact CH2-CZ 4.35Å; W250-F286 AromaticContact CZ2-CE2 3.51Å; W250-F286 HydrophobicContact CZ2-CE2 3.51Å; W250-F286 AromaticContact CZ2-CZ 3.45Å; W250-F286 HydrophobicContact CZ2-CZ 3.45Å; W250-F286 VanDerWaalsContact CZ2-CZ 3.45Å; W250-F286 AromaticContact NE1-CE2 3.55Å; W250-F286 AromaticContact NE1-CZ 3.86Å; V257-F286 HydrophobicContact CG2-CE1 3.85Å; V257-F286 HydrophobicContact CG2-CZ 3.8Å; I259-F286 HydrophobicContact CD1-CE1 4.33Å; I259-F286 HydrophobicContact CG1-CE1 4.2Å; L275-F286 WeakPolarHBondContact O-CA 3.38Å; M276-F286 HydrophobicContact CB-CD1 3.97Å; M276-F286 HydrophobicContact CB-CE1 3.74Å; M276-F286 HydrophobicContact CB-CZ 4.45Å; M276-F286 HydrophobicContact CG-CD1 4.33Å; M276-F286 HydrophobicContact CG-CE1 3.85Å; M276-F286 HydrophobicContact CG-CZ 4.06Å; M276-F286 HydrophobicContact SD-CE1 3.97Å; M276-F286 HydrophobicContact SD-CZ 3.84Å; F284-F286 AromaticContact CD2-CE2 3.84Å; F284-F286 HydrophobicContact CD2-CE2 3.84Å; F284-F286 HydrophobicContact CD2-CZ 4.45Å; F284-F286 HydrophobicContact CE2-CE2 4.39Å
287L98.3Very high88.1Confident50 Ų5079.3 Ų79.326%0.26241%0.412SS..EExtended strand (participates in β ladder)trans-109.4113169-52.9179.5000108.2I71 A274 L275 E277I71-L287 HydrophobicContact CG2-CB 3.89Å; I71-L287 HydrophobicContact CG2-CD1 3.78Å; I71-L287 HydrophobicContact CG2-CG 4.47Å; A274-L287 CarbonylContact C-O 3.56Å; A274-L287 VanDerWaalsContact CA-O 3.22Å; A274-L287 WeakPolarHBondContact CA-O 3.34Å; L275-L287 HydrophobicContact CD1-CB 3.78Å; L275-L287 HydrophobicContact CD1-CD1 3.78Å; L275-L287 HydrophobicContact CD1-CG 3.87Å; L275-L287 HydrophobicContact CG-CB 4.06Å; L275-L287 PolarHBondContact N-O 3.38Å; L275-L287 PolarHBondContact O-N 2.89Å; E277-L287 HydrophobicContact CG-CD1 4.25Å
288Q98.5Very high85.4Confident79 Ų7980.7 Ų80.737%0.36943%0.427SS..EExtended strand (participates in β ladder)trans-88.3149.3175.1-65.9172.3-86.600110.6E246 Y248 Q272 A273 A274E246-Q288 PolarHBondContact O-NE2 3.3Å; Y248-Q288 HydrophobicContact CD1-CG 3.97Å; Y248-Q288 HydrophobicContact CE1-CG 3.75Å; Q272-Q288 VanDerWaalsContact OE1-NE2 3.11Å; A273-Q288 CarbonylContact O-C 3.49Å; A273-Q288 VanDerWaalsContact O-CA 3.26Å; A273-Q288 WeakPolarHBondContact O-CA 3.48Å; A274-Q288 HydrophobicContact CB-CG 4.2Å
289F98.5Very high82.6Confident7 Ų788.7 Ų88.73%0.03146%0.463CS..EExtended strand (participates in β ladder)trans-150.9149.9178.567.6-83.9000113.7E67 L68 I71 S261 P263 A273E67-F289 HydrophobicContact CG-CD2 4.06Å; L68-F289 HydrophobicContact CB-CE2 4.49Å; L68-F289 HydrophobicContact CB-CZ 4.02Å; L68-F289 HydrophobicContact CD1-CZ 4.32Å; L68-F289 HydrophobicContact CG-CZ 4.41Å; I71-F289 HydrophobicContact CD1-CB 3.15Å; I71-F289 HydrophobicContact CD1-CD1 4.27Å; I71-F289 HydrophobicContact CD1-CD2 4.28Å; I71-F289 HydrophobicContact CD1-CG 3.71Å; S261-F289 WeakPolarHBondContact O-CZ 3.46Å; P263-F289 HydrophobicContact CB-CE2 4.49Å; P263-F289 HydrophobicContact CG-CD2 4.14Å; P263-F289 HydrophobicContact CG-CE2 3.78Å; A273-F289 HydrophobicContact CB-CD1 3.93Å; A273-F289 HydrophobicContact CB-CD2 4.09Å; A273-F289 HydrophobicContact CB-CE1 3.48Å; A273-F289 VanDerWaalsContact CB-CE1 3.48Å; A273-F289 HydrophobicContact CB-CE2 3.66Å; A273-F289 HydrophobicContact CB-CG 4.21Å; A273-F289 HydrophobicContact CB-CZ 3.33Å; A273-F289 PolarHBondContact N-O 3.43Å; A273-F289 PolarHBondContact O-N 3.2Å
290D97.5Very high80Confident97 Ų9789.1 Ų89.152%0.51947%0.468SS..PPolyproline II helixtrans-92.6166.4175.8-64.5-42.8000110.5Q272Q272-D290 PolarHBondContact NE2-OD1 2.88Å
291P96.2Very high77.5Confident46 Ų4689.1 Ų89.130%0.29947%0.473SS..PPolyproline II helixtrans-57144.8178.9-21.531.1000112.8D64 P263 N264D64-P291 WeakPolarHBondContact OD1-CA 3.41Å; P263-P291 HydrophobicContact CB-CB 4.39Å; P263-P291 HydrophobicContact CB-CG 3.86Å; P263-P291 HydrophobicContact CG-CB 4.26Å; P263-P291 HydrophobicContact CG-CG 4.27Å; N264-P291 HydrophobicContact CB-CB 4.47Å; N264-P291 HydrophobicContact CB-CG 3.4Å
292A93.5Very high75.2Confident14 Ų1494.4 Ų94.412%0.11648%0.479CS..PPolyproline II helixtrans-56.5140.717600000110.6H63 D64 E67 R294H63-A292 HydrophobicContact CB-CB 4.26Å; H63-A292 WeakPolarHBondContact O-CB 3.4Å; D64-A292 PolarHBondContact OD1-N 3.37Å; E67-A292 HydrophobicContact CB-CB 4.02Å; A292-R294 PolarHBondContact O-N 2.94Å
293P85.9Confident73.2Confident114 Ų114103.8 Ų103.874%0.7451%0.512SS*.  trans-60.9114.9178.122.1-30.8000110.3R295P293-R295 PolarHBondContact O-N 3.34Å; P293-R295 VanDerWaalsContact O-N 3.1Å
294R70Confident71.4Confident117 Ų11799.6 Ų99.644%0.44250%0.499SS..  trans-66.1109.6-179.1-63.1-174.6-178.2-152.9-5.9110A292 G296 E297A292-R294 PolarHBondContact O-N 2.94Å; R294-G296 PolarHBondContact O-N 3Å; R294-G296 VanDerWaalsContact O-N 3.07Å; R294-E297 HydrophobicContact CB-CG 4.37Å; R294-E297 WeakPolarHBondContact CD-OE1 3.03Å; R294-E297 IonicContact CZ-OE1 3.38Å; R294-E297 IonicContact NE-OE1 3.64Å; R294-E297 IonicContact NH1-OE1 2.7Å; R294-E297 PolarHBondContact NH1-OE1 2.82Å
295R54.9Low70Confident252 Ų25296.8 Ų96.895%0.95149%0.49SS*.SBendtrans-7693.4167.2-81.4-169.7175.6-168.60.6109.1P293P293-R295 PolarHBondContact O-N 3.34Å; P293-R295 VanDerWaalsContact O-N 3.1Å
296G49.8Very low68.5Low67 Ų67100 Ų10069%0.69150%0.503SS*.SBendtrans5687.6171.600000112.1R294R294-G296 PolarHBondContact O-N 3Å; R294-G296 VanDerWaalsContact O-N 3.07Å
297E46.3Very low67.4Low119 Ų119100.1 Ų100.156%0.55650%0.502SS*.  trans-45.8129.4173.7-72.5-175162.500109.7R294 H299R294-E297 HydrophobicContact CB-CG 4.37Å; R294-E297 WeakPolarHBondContact CD-OE1 3.03Å; R294-E297 IonicContact CZ-OE1 3.38Å; R294-E297 IonicContact NE-OE1 3.64Å; R294-E297 IonicContact NH1-OE1 2.7Å; R294-E297 PolarHBondContact NH1-OE1 2.82Å; E297-H299 PolarHBondContact O-N 2.91Å; E297-H299 VanDerWaalsContact O-N 3.13Å
298P43.1Very low65.5Low85 Ų8598.2 Ų98.255%0.55249%0.492SS*.  trans-53.3131.8163.119.3-22000105.3V300P298-V300 HydrophobicContact CG-CG2 4.28Å; P298-V300 WeakPolarHBondContact O-CG2 3.35Å; P298-V300 PolarHBondContact O-N 3.37Å
299H39.1Very low63.3Low171 Ų171102.3 Ų102.379%0.79252%0.516SS*.  trans-54.988.9166.7-92.839.5000107E297 T301E297-H299 PolarHBondContact O-N 2.91Å; E297-H299 VanDerWaalsContact O-N 3.13Å; H299-T301 HydrophobicContact CB-CG2 4.32Å; H299-T301 PolarHBondContact O-N 3.37Å; H299-T301 PolarHBondContact O-OG1 3.16Å
300V43.2Very low61.5Low74 Ų74107.1 Ų107.145%0.44854%0.54SS..  trans-76.576167.4-1720000103.9P298 R302P298-V300 HydrophobicContact CG-CG2 4.28Å; P298-V300 WeakPolarHBondContact O-CG2 3.35Å; P298-V300 PolarHBondContact O-N 3.37Å; V300-R302 HydrophobicContact CG1-CB 4.11Å; V300-R302 PolarHBondContact O-N 3.47Å
301T41.9Very low59.6Low128 Ų128107.6 Ų107.679%0.78554%0.541SS*.  trans-70.29.9164.841.40000111.5H299H299-T301 HydrophobicContact CB-CG2 4.32Å; H299-T301 PolarHBondContact O-N 3.37Å; H299-T301 PolarHBondContact O-OG1 3.16Å
302R45.2Very low57.6Low200 Ų200111.1 Ų111.176%0.75555%0.554SS**SBendtrans-93.6136.3169.4-85.1-177.9165.4-178.6-4.6109.6V300 T304V300-R302 HydrophobicContact CG1-CB 4.11Å; V300-R302 PolarHBondContact O-N 3.47Å; R302-T304 PolarHBondContact O-N 2.87Å
303R51.9Low55.5Low229 Ų229116.8 Ų116.886%0.86458%0.58SS**  trans-35.2128.2163.2-93-178.8171.3-173.3-3.4108.7P305R303-P305 WeakPolarHBondContact O-CD 3.24Å; R303-P305 VanDerWaalsContact O-N 3.17Å
304T57Low53.6Low55 Ų55116.9 Ų116.934%0.33757%0.57SS.*  trans-50.6126.7172.4-51.40000108.3R268 R302 D306 F308R268-T304 PolarHBondContact NH2-OG1 3.23Å; R302-T304 PolarHBondContact O-N 2.87Å; T304-D306 PolarHBondContact O-N 3.04Å; T304-F308 HydrophobicContact CG2-CB 3.79Å; T304-F308 HydrophobicContact CG2-CD2 3.41Å; T304-F308 VanDerWaalsContact CG2-CD2 3.41Å; T304-F308 HydrophobicContact CG2-CE2 4.25Å; T304-F308 HydrophobicContact CG2-CG 3.94Å
305P63.9Low52.5Low33 Ų33116.9 Ų116.921%0.21458%0.579CS.*  trans-50136.4177.2-28.931.7000111.8Y91 R303 Y307 F308Y91-P305 HydrophobicContact CE1-CG 4.47Å; R303-P305 WeakPolarHBondContact O-CD 3.24Å; R303-P305 VanDerWaalsContact O-N 3.17Å; P305-Y307 HydrophobicContact CB-CD1 3.8Å; P305-Y307 HydrophobicContact CB-CD2 4.29Å; P305-Y307 HydrophobicContact CB-CE1 3.33Å; P305-Y307 HydrophobicContact CB-CE2 3.87Å; P305-Y307 HydrophobicContact CB-CG 4.26Å; P305-Y307 HydrophobicContact CG-CE1 4.22Å; P305-Y307 PolarHBondContact O-N 3.19Å; P305-Y307 VanDerWaalsContact O-N 3.13Å; P305-F308 HydrophobicContact CB-CD2 3.71Å; P305-F308 HydrophobicContact CB-CE2 3.97Å; P305-F308 HydrophobicContact CG-CD2 3.79Å; P305-F308 HydrophobicContact CG-CE2 3.6Å; P305-F308 WeakPolarHBondContact O-CB 3.5Å; P305-F308 PolarHBondContact O-N 3.47Å
306D66.3Low52.3Low125 Ų125107.3 Ų107.367%0.66855%0.552SS**G310 helixtrans-62-24.7-172.8-66.9-28.9000112.2T304 F308 L309T304-D306 PolarHBondContact O-N 3.04Å; D306-F308 PolarHBondContact O-N 3.23Å; D306-L309 VanDerWaalsContact O-CB 3.28Å; D306-L309 WeakPolarHBondContact O-CB 3.48Å; D306-L309 PolarHBondContact O-N 3.18Å; D306-L309 VanDerWaalsContact O-N 3.07Å
307Y74.2Confident52.5Low41 Ų41110.4 Ų110.416%0.16154%0.542CS..G310 helixtrans-73.9-4.5176.661-108.6000114.6R89 Y127 P305 L309R89-Y307 PolarHBondContact NH1-O 3.06Å; R89-Y307 WeakPolarHBondContact O-CE2 3.43Å; Y127-Y307 WeakPolarHBondContact O-CD2 3.42Å; P305-Y307 HydrophobicContact CB-CD1 3.8Å; P305-Y307 HydrophobicContact CB-CD2 4.29Å; P305-Y307 HydrophobicContact CB-CE1 3.33Å; P305-Y307 HydrophobicContact CB-CE2 3.87Å; P305-Y307 HydrophobicContact CB-CG 4.26Å; P305-Y307 HydrophobicContact CG-CE1 4.22Å; P305-Y307 PolarHBondContact O-N 3.19Å; P305-Y307 VanDerWaalsContact O-N 3.13Å; Y307-L309 VanDerWaalsContact C-N 3.26Å
308F59Low53Low10 Ų10109.7 Ų109.74%0.04454%0.54CS..G310 helixtrans-83-2.6166.4-72.6-64.2000113R89 Y91 C266 Y267 T304 P305 D306R89-F308 VanDerWaalsContact C-CE1 3.47Å; R89-F308 WeakPolarHBondContact O-CE1 3.45Å; R89-F308 WeakPolarHBondContact O-CZ 3.49Å; Y91-F308 HydrophobicContact CD1-CE2 4.42Å; Y91-F308 HydrophobicContact CD1-CZ 4.23Å; Y91-F308 AromaticContact CE1-CE2 3.62Å; Y91-F308 HydrophobicContact CE1-CE2 3.62Å; Y91-F308 AromaticContact CE1-CZ 3.78Å; Y91-F308 HydrophobicContact CE1-CZ 3.78Å; Y91-F308 HydrophobicContact CE2-CE2 4.45Å; Y91-F308 HydrophobicContact CE2-CZ 4.08Å; Y91-F308 AromaticContact CZ-CE2 3.63Å; Y91-F308 AromaticContact CZ-CZ 3.69Å; C266-F308 HydrophobicContact CB-CD1 3.83Å; Y267-F308 AromaticContact CD2-CE1 3.73Å; Y267-F308 HydrophobicContact CD2-CE1 3.73Å; Y267-F308 AromaticContact CD2-CZ 3.88Å; Y267-F308 HydrophobicContact CD2-CZ 3.88Å; Y267-F308 AromaticContact CE2-CE1 3.65Å; Y267-F308 HydrophobicContact CE2-CE1 3.65Å; Y267-F308 AromaticContact CE2-CZ 3.63Å; Y267-F308 HydrophobicContact CE2-CZ 3.63Å; T304-F308 HydrophobicContact CG2-CB 3.79Å; T304-F308 HydrophobicContact CG2-CD2 3.41Å; T304-F308 VanDerWaalsContact CG2-CD2 3.41Å; T304-F308 HydrophobicContact CG2-CE2 4.25Å; T304-F308 HydrophobicContact CG2-CG 3.94Å; P305-F308 HydrophobicContact CB-CD2 3.71Å; P305-F308 HydrophobicContact CB-CE2 3.97Å; P305-F308 HydrophobicContact CG-CD2 3.79Å; P305-F308 HydrophobicContact CG-CE2 3.6Å; P305-F308 WeakPolarHBondContact O-CB 3.5Å; P305-F308 PolarHBondContact O-N 3.47Å; D306-F308 PolarHBondContact O-N 3.23Å
309L51.4Low53.9Low165 Ų165111.9 Ų111.986%0.86454%0.539SS*.  trans-94.90177.6-60.4167.2000111.7R268 D306 Y307R268-L309 VanDerWaalsContact NH1-CD2 3.25Å; D306-L309 VanDerWaalsContact O-CB 3.28Å; D306-L309 WeakPolarHBondContact O-CB 3.48Å; D306-L309 PolarHBondContact O-N 3.18Å; D306-L309 VanDerWaalsContact O-N 3.07Å; Y307-L309 VanDerWaalsContact C-N 3.26Å

Retrieved 309 of 309 residues in 299 ms (Link to these results)

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